smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1ccc(Cn2ncc3c(Nc4ccccc4)ncnc32)cc1 348708 SRMUSAVLUUXVPS-UHFFFAOYSA-N 301.353 3.618 0 40 DHAB COc1cc(Cl)cc(OC)c1NC(=O)Cc1cccs1 1009503 DTLOMGUDCIEAND-UHFFFAOYSA-N 311.790 3.600 0 40 DHAB Cc1cccc(NC(=O)COC(=O)c2cccc(Cl)c2)c1C 1993403 VAEULLYRWYKYRV-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1cccc(NC(=S)NC[C@H](c2ccccc2)N(C)C)c1 2645325 RWKUVLRNTJXXHU-QGZVFWFLSA-N 313.470 3.584 0 40 DHAB O=C1c2ccccc2-c2nc3ccc(Br)cc3nc21 3156462 AHBVOWQLKBRAJW-UHFFFAOYSA-N 311.138 3.604 0 40 DHAB Cc1cc(C)c(NC(=O)CSc2nncs2)c(Cl)c1 3389586 FCVGYLSEEAJDJF-UHFFFAOYSA-N 313.835 3.539 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)oc2=O)cc1C 3399266 ONTRXNMOPJVICJ-UHFFFAOYSA-N 311.259 3.528 0 40 DHAB CCn1cc(SCC(=O)NC2CCCC2)c2ccccc21 4060572 CVECZZNGKUMJKT-UHFFFAOYSA-N 302.443 3.812 0 40 DHAB Cc1ccccc1C(=O)Nc1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 5153632 HMMLOOLJQMWUPM-ZDUSSCGKSA-N 320.392 3.644 0 40 DHAB CCc1cccc(CC)c1NC(=S)NC(=O)c1ccccc1 5549444 AHOHXYNXYLWYDK-UHFFFAOYSA-N 312.438 3.938 0 40 DHAB CCc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 5658350 XXVKTBROOSSZNB-OAHLLOKOSA-N 317.454 3.549 0 40 DHAB COc1cc(Cl)ccc1NC(=O)C[C@H](C)NC1CCCC1 6650966 PBOUVTVJLXWYSB-NSHDSACASA-N 310.825 3.598 0 40 DHAB CCCCOc1ccccc1CN1C(=O)C(=O)c2cccc(C)c21 7262000 NWCNHGQJHPMIIB-UHFFFAOYSA-N 323.392 3.903 0 40 DHAB C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1 7777512 XLJLZZZXBUGALJ-ZBEGNZNMSA-N 301.773 3.521 0 40 DHAB CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1 8337034 ODNXQJXEAWVLML-QGZVFWFLSA-N 319.832 3.780 0 40 DHAB c1ccc(CCN2CCC(c3nc4ccccc4o3)CC2)nc1 9338709 AEGJBRGLPILRGI-UHFFFAOYSA-N 307.397 3.645 0 40 DHAB CC[C@@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 9607153 SMPCCCRMHBQFKT-HNNXBMFYSA-N 312.413 3.758 0 40 DHAB CC[C@H](C)[C@@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1 9954945 KZWNJZNYNHCURL-SUMWQHHRSA-N 310.397 3.554 0 40 DHAB COc1ccc(C)cc1NCC(=O)N(c1ccccc1)C(C)C 11162650 ZFTZUVQYYLURQC-UHFFFAOYSA-N 312.413 3.857 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCC1(c2ccccc2)CC1 11899228 WUBJEEJGSAHLHM-UHFFFAOYSA-N 315.800 3.810 0 40 DHAB CC(C)c1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)[nH]n1 12115989 CCKIXAWWEVBOPJ-UHFFFAOYSA-N 315.392 3.872 0 40 DHAB CCC[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1cccs1 12200037 PWJQHAMDPDJELI-GFCCVEGCSA-N 303.431 3.630 0 40 DHAB Cc1cccc(CC(=O)OCc2cc(-c3cccs3)on2)c1 12236726 MDODHQOVHPMDAI-UHFFFAOYSA-N 313.378 3.997 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc2ccccc2c1)C31CC1 12360503 FFCPUXZOBLGGJA-USTZCAOPSA-N 315.372 3.541 0 40 DHAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 12784579 GGKPMDASKNWZOE-SECBINFHSA-N 310.184 3.828 0 40 DHAB Clc1ccccc1CN(Cc1ccccn1)C[C@H]1CCOC1 13990816 JHLCPDHFKUHYPQ-OAHLLOKOSA-N 316.832 3.774 0 40 DHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC1CCCC1 14187354 FRIOQWQRBMEBEA-UHFFFAOYSA-N 320.339 3.611 0 40 DHAB CC(=O)NCc1ccc(-c2csc(-c3cccc(F)c3)n2)o1 14202311 VTTMXWWHZIFZCE-UHFFFAOYSA-N 316.357 3.845 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1cc(F)ccc1F 14255554 HZGSDURYGBFLSD-UHFFFAOYSA-N 311.353 3.636 0 40 DHAB Cc1ccc(-c2nnc(Nc3ccc(C)c(C)c3)nc2O)cc1 16806839 YKXLAYBUYIWPSH-UHFFFAOYSA-N 306.369 3.913 0 40 DHAB C[C@H](NC(=O)NCCc1ccccc1)c1ccccc1Cl 17115780 HIVHGMUYSFVSMT-ZDUSSCGKSA-N 302.805 3.943 0 40 DHAB COc1cccc(OC)c1C(=O)N(C)Cc1ccc(Cl)cc1 20458404 OELDCURTWLETNS-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB Cc1[nH]c2ccccc2c1/C=C1\N=C(c2ccc(F)cc2)OC1=O 22226177 CZQAPMORQUMWEO-YVLHZVERSA-N 320.323 3.960 0 40 DHAB COc1ccccc1CNC(=O)c1cc(Cl)sc1Cl 22397822 ZMGAFJIMSMPNLP-UHFFFAOYSA-N 316.209 3.994 0 40 DHAB Cc1ccc(CCC(=O)Oc2ccc3c(c2)OCO3)cc1Cl 24689415 JREHYAGTTGAGFL-UHFFFAOYSA-N 318.756 3.915 0 40 DHAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2cccc(F)c2)n1 25013252 JMXREBOLYOCKDQ-UHFFFAOYSA-N 323.371 3.809 0 40 DHAB O=C1Cc2cc(-c3csc(-c4ccco4)n3)cc3c2N1CCC3 25204734 CLGNTKMROBXXOV-UHFFFAOYSA-N 322.389 3.905 0 40 DHAB Cc1ccc(CN(CCn2c(=O)oc3ccccc32)C2CC2)cc1 27595309 NVOOEBMLDYRVLX-UHFFFAOYSA-N 322.408 3.568 0 40 DHAB Cc1ccccc1Cn1cc(NC(=O)NC2CCCCC2)cn1 28229868 DHXJCIMAECIIQS-UHFFFAOYSA-N 312.417 3.694 0 40 DHAB c1ccc(-c2noc(CN[C@@H](c3ccccc3)C3CC3)n2)cc1 32863475 VLZLXHOWOKVENS-SFHVURJKSA-N 305.381 3.978 0 40 DHAB Cc1ccccc1NC(=O)NCC1(c2ccccc2)CCOCC1 38592149 OXOSBQLVIFHDEP-UHFFFAOYSA-N 324.424 3.865 0 40 DHAB CCN(C(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 40080572 OHNKWNUKJMFWPM-UHFFFAOYSA-N 318.380 3.887 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1 40294720 JQRXVNZSQJKULT-RKDXNWHRSA-N 301.217 3.694 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1ccncc1 43184672 POINJXPFXZSMNG-IUODEOHRSA-N 315.442 3.923 0 40 DHAB O=S(=O)(NC1CCCC1)c1ccc(Oc2ccccc2)cc1 44900181 WUPVYGMJVAGFQY-UHFFFAOYSA-N 317.410 3.700 0 40 DHAB O=C(CCn1ccc2ccccc21)NCC1(c2ccccc2)CC1 48331552 DNXBXFYJPUOFSL-UHFFFAOYSA-N 318.420 3.879 0 40 DHAB CCc1nc(C)c(C(=O)N(C)[C@@H](C)c2ccccc2OC)s1 50311852 ZCBMWWPCIIICCK-LBPRGKRZSA-N 318.442 3.856 0 40 DHAB Cc1cc(C)cc(C2(C(=O)N(C)Cc3cnc(C)s3)CC2)c1 55446651 XOYSYZBEBMXTGC-UHFFFAOYSA-N 314.454 3.759 0 40 DHAB CCCCS[C@H](C)C(=O)Nc1ccccc1-c1nc(C)n[nH]1 58301583 LMNGHPBPPWRBQN-LLVKDONJSA-N 318.446 3.640 0 40 DHAB O=C(/C=C/c1nc2ccccc2o1)NCc1cc2ccccc2[nH]1 58901697 ZTTUAKYIQPZKDV-MDZDMXLPSA-N 317.348 3.639 0 40 DHAB CCOC(=O)c1cnc2c(OC)cc(C)cc2c1N(CC)CC 64874660 UCZHRGPILDDHAC-UHFFFAOYSA-N 316.401 3.575 0 40 DHAB COc1cc(NC(=S)Nc2cccc(F)c2C)cc(OC)c1 71325979 ZRXBVANRCLWHOH-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2C)c1 71761164 QACJLDJMPATSQA-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB Cc1cc(C(=O)N(C)Cc2ccccn2)cc(C)c1OC(F)F 71886387 UHVXNYOYSSNJLE-UHFFFAOYSA-N 320.339 3.572 0 40 DHAB CCOC[C@@H]1CCCN(C(=O)NCC[C@H](C)c2ccccc2)C1 71905355 WBDBYFBNMKGTKQ-DLBZAZTESA-N 318.461 3.638 0 40 DHAB Cc1cccc2[nH]cc(CC(=O)N3CCOc4ccc(F)cc43)c12 88264032 IEIGFVMXWKZGEO-UHFFFAOYSA-N 324.355 3.584 0 40 DHAB Cc1cccc(OC(=O)c2ccc(NC(=O)C3CC3)cc2)c1C 89688757 MZGSHPULEVJLSK-UHFFFAOYSA-N 309.365 3.871 0 40 DHAB COc1ccc(C[C@H](C)N(C)C(=O)c2ccc(SC)o2)cc1 95395586 PATNQWTYYAKTTG-LBPRGKRZSA-N 319.426 3.713 0 40 DHAB Cc1ccccc1CN1CCC2(CCCN2C(=O)C(C)C)CC1 96075192 BUUCWBLAZPIJPI-UHFFFAOYSA-N 314.473 3.608 0 40 DHAB COC(=O)c1ccc(NCc2c(Cl)cccc2OC)cc1 97379246 RPRUJZKLNFDATI-UHFFFAOYSA-N 305.761 3.747 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1cccc2cccnc12 100189240 WPKKFFLMEUMDPA-LPHOPBHVSA-N 316.408 3.595 0 40 DHAB Cc1occc1[S@](=O)Cc1nc(-c2ccccc2)oc1C 195577787 WMOJRIWMBRLMFN-OAQYLSRUSA-N 301.367 3.859 0 40 DHAB COC(=O)c1cccc(-c2nc3cc(OC)cc(Cl)c3[nH]2)c1 216920101 PLYCEXBRLSZCJS-UHFFFAOYSA-N 316.744 3.679 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCc1ccccc1 224538439 VPZMWOWAGPLRIX-INIZCTEOSA-N 323.436 3.692 0 40 DHAB CCNC(=O)c1cc(N)ccc1Nc1cccc2ccccc12 225467914 CGMPQWYVUNEFQX-UHFFFAOYSA-N 305.381 3.915 0 40 DHAB COc1ccc(Nc2ccc(N)cc2C(=O)OC(C)C)cc1 225478577 FINXDBDLYNKDKI-UHFFFAOYSA-N 300.358 3.586 0 40 DHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCOCC)cc1 225731388 XEWZPBZPQPMPTQ-GOSISDBHSA-N 323.433 3.636 0 40 DHAB CCCOCc1c(Br)cnn1CCC(F)(F)F 408716551 OEAQQKQTZVGSTQ-UHFFFAOYSA-N 315.133 3.525 0 40 DHAB Cc1[nH]c2ccc(OCc3nnc(C4CCC4)n3C)cc2c1C 527280069 LMQRWQGLHUQOEE-UHFFFAOYSA-N 310.401 3.760 0 40 DHAB CC1(C)OCC[C@H]1CNC(=O)NCc1cccc2ccsc12 661350197 VJULUNJTLHWPNK-AWEZNQCLSA-N 318.442 3.516 0 40 DHAB CN(C)c1cccc(C(=O)N2CC3(CC(c4ccccc4)C3)C2)c1 1775970503 OSBNZRMBFKVUEX-UHFFFAOYSA-N 320.436 3.772 0 40 DHAB CN(C)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c1 1776008271 BEQUXSYKKKYROW-OALUTQOASA-N 310.441 3.856 0 40 DHAB CCc1nccn1CC1CN(c2nc(-c3ccccc3)cs2)C1 2087045443 FXDGEDBCBRTTJC-UHFFFAOYSA-N 324.453 3.705 0 40 DHAB O=C(Cc1ccccc1F)N[C@H]1CCSc2ccccc21 5425902 JGLJXTZDNSWDHT-HNNXBMFYSA-N 301.386 3.722 0 40 DHAB C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N1CCCC1 5662426 XMKSAGCGRQFRHW-NSHDSACASA-N 300.324 3.518 0 40 DHAB CCOc1cc(C(=O)N2CCCCC2)cc(OCC)c1OCC 5711928 XRQHXOIMOLEIGQ-UHFFFAOYSA-N 321.417 3.509 0 40 DHAB COC(=O)c1ccc(COC(=O)c2cc3ccccc3s2)o1 6113287 IGBCUUPPLQRDQY-UHFFFAOYSA-N 316.334 3.638 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1CCCCCCC1 6357305 DTJAMNXLRWGEOR-OAHLLOKOSA-N 324.465 3.615 0 40 DHAB COc1ccc(CC(=O)OCc2ncc(-c3ccccc3)o2)cc1 6608506 CFHWGPLLBXFQMD-UHFFFAOYSA-N 323.348 3.636 0 40 DHAB Cc1ccc2nc(CSCc3cccc(F)c3)cc(=O)n2c1 7145519 YCYYQUZTDPFERS-UHFFFAOYSA-N 314.385 3.575 0 40 DHAB CCOC(=O)c1c(C)[nH]c(-c2csc(NC3CC3)n2)c1C 7274484 SUDPYIQDGGPGIB-UHFFFAOYSA-N 305.403 3.506 0 40 DHAB Cc1cccc(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 7923752 YRJIWGMCMMXNGU-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB CCOc1ccc(Cl)cc1NC(=O)c1ccccc1OC 8324623 KDVIUUMJQCOSOL-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB Cc1cc(SCC(=O)N[C@H](C)C2CC2)nc2ccccc12 8746959 SGXDCUYRZWJORR-GFCCVEGCSA-N 300.427 3.550 0 40 DHAB COc1ccc(-c2csc(NC(=O)c3ccoc3)n2)cc1 9502935 IONPYECWBQYUDV-UHFFFAOYSA-N 300.339 3.664 0 40 DHAB O=C(CCSCc1ccc(Cl)cc1)Nc1cccnc1 12555310 SXILKKFJGMYQIJ-UHFFFAOYSA-N 306.818 3.997 0 40 DHAB O=C(CCCNC(=O)c1ccsc1)Nc1ccccc1Cl 12786543 YIIMXULHROTDNE-UHFFFAOYSA-N 322.817 3.550 0 40 DHAB C[C@H](NC(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 13328872 KIDULWHWSZPIJK-QMMMGPOBSA-N 309.774 3.621 0 40 DHAB CCOc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1 13674627 YEIFXXKCFOZZDN-AWEZNQCLSA-N 315.438 3.882 0 40 DHAB Cc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(F)cc1)CC3 15841921 SGEMTCDNVVRPOI-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB COc1cc(NC(=O)CCC(C)C)ccc1-c1ccc(CO)o1 20136801 NLADPWMKEZLLIX-UHFFFAOYSA-N 317.385 3.822 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1ccc2c3c(cccc13)CC2 21596363 OOVSUFWGGKSVGI-UHFFFAOYSA-N 312.438 3.798 0 40 DHAB C[C@H](NC(=O)CNC(C)(C)C)c1ccc(-c2ccccc2)cc1 24165489 IKLJGPXCDZYURT-HNNXBMFYSA-N 310.441 3.919 0 40 DHAB CCCCC[C@@H](C)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 29472409 ZBKGRDKOSRWRJP-OCCSQVGLSA-N 309.837 3.976 0 40 DHAB Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 32818355 UBEXZBBZDFSAGC-OLZOCXBDSA-N 315.335 3.615 0 40 DHAB CC(=O)N1CCC(N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 34996000 TYPSIPXFCMDRKB-JTQLQIEISA-N 315.244 3.655 0 40 DHAB CCN(Cc1cccc(C)c1)C(=O)Nc1nnc(C2CC2)s1 40103200 FUQGVIZGMCSYJJ-UHFFFAOYSA-N 316.430 3.778 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc(N(C)C)c(Cl)c2)c1 40152531 RZVUTKKEJJTPDW-UHFFFAOYSA-N 318.804 3.732 0 40 DHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCC(C)CC1 41096821 CGWBIVLOKHHBAZ-UHFFFAOYSA-N 322.257 3.722 0 40 DHAB O=Cc1ccc(OCCc2ccc(Br)cc2)cc1 41531797 RZFUWNCIHGSEFG-UHFFFAOYSA-N 305.171 3.883 0 40 DHAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccs1 47375314 QQZUNTLOKNZIIB-UHFFFAOYSA-N 303.387 3.530 0 40 DHAB COc1ccc(OC)c(-c2cc(=O)c3cc(F)ccc3o2)c1 48057039 BFANYDGZCLJUOE-UHFFFAOYSA-N 300.285 3.616 0 40 DHAB CC[C@H](c1ccc(Cl)cc1)N1CCC(NC(=O)C2CC2)CC1 48366863 BKSMYLAKUSUPLG-QGZVFWFLSA-N 320.864 3.782 0 40 DHAB O=Cc1cn(C(=O)COc2ccccc2Cl)c2ccccc12 49928139 JJKQDVUJGMRNIT-UHFFFAOYSA-N 313.740 3.826 0 40 DHAB COc1c(Br)cc(-c2ccccc2)cc1C(=O)O 57339868 XRBUKIODTVUADG-UHFFFAOYSA-N 307.143 3.823 0 40 DHAB O=C(Nc1ccccn1)C1(c2ccc3c(c2)OCO3)CCCCC1 64289695 XJHRNGLMACGXNN-UHFFFAOYSA-N 324.380 3.651 0 40 DHAB O=C1NC(=O)c2ccccc2/C1=C/c1cccc(Cl)c1Cl 69815457 YKADGSZUISBCOK-WQLSENKSSA-N 318.159 3.804 0 40 DHAB Cc1ccc2oc(C(=O)N3CCC[C@H](n4ccnc4C)C3)cc2c1 69872704 PYTCSXPWJCMCNL-INIZCTEOSA-N 323.396 3.723 0 40 DHAB Cn1ccc2c(C(=O)NCCn3ccc4ccccc43)cccc21 70666576 HUEBVNZGCOXULH-UHFFFAOYSA-N 317.392 3.563 0 40 DHAB biogenic CCCCS(=O)(=O)N[C@@H](Cc1ccccc1)c1ccccc1 72273005 UHWDOROBTHEMQZ-SFHVURJKSA-N 317.454 3.690 0 40 DHAB Cc1ccc(-c2noc(COc3ccccc3C=O)n2)c(C)c1 89262857 HKOBOWXOCUJFBF-UHFFFAOYSA-N 308.337 3.745 0 40 DHAB CO[C@@H](C)c1nc(CN2CCCOc3ccc(C)cc32)cs1 95459742 SMSCIBONGQRMTO-ZDUSSCGKSA-N 318.442 3.948 0 40 DHAB FC(F)(F)c1cc(Br)cc(Br)n1 95929579 NUHNRBSOYSYLEB-UHFFFAOYSA-N 304.891 3.625 0 40 DHAB C[C@@H]1CCCN(C(=O)CCOC2CCOCC2)c2ccccc21 96013978 HPEKEGBHJVORDH-OAHLLOKOSA-N 317.429 3.503 0 40 DHAB CO[C@@](C)(CNC(=O)Nc1ccccc1C)c1ccccc1F 96123653 LIDKNTIIWNGJTC-SFHVURJKSA-N 316.376 3.817 0 40 DHAB FC(F)(F)Cn1cc(CN[C@@H]2CCCc3sccc32)cn1 97017348 QANIMZLGTIMFKY-GFCCVEGCSA-N 315.364 3.674 0 40 DHAB C[C@@H](Oc1cccnc1NCc1ccnn1C)c1ccccc1 97094793 GZHSUEMRLKMFAD-CQSZACIVSA-N 308.385 3.567 0 40 DHAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC(C)C 98081497 GVLYDUBVMRMQIR-UHFFFAOYSA-N 309.816 3.778 0 40 DHAB Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc(Cl)c(Cl)c1 100043534 IBFKTJCLQKKLDT-WUXMJOGZSA-N 322.147 3.659 0 40 DHAB C[C@H]1c2ccsc2CCN1C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 107327306 CDYQLXDRUQGLIE-ZJQBRPOHSA-N 306.500 3.730 0 40 DHAB CCOc1ccc(NC(=O)[C@@](C)(CC)OC)c2ccccc12 225791827 AELASXQTGYEARX-GOSISDBHSA-N 301.386 3.992 0 40 DHAB Cc1cnn(CC2CN(C(c3ccccc3)c3ccccc3)C2)c1 1889253745 SSKRTIGXTNVPGP-UHFFFAOYSA-N 317.436 3.913 0 40 DHAB O=C(NC1CCCC1)c1cc(-c2ccncc2)nc2ccccc12 217724 UCBYPBXQIVNGKW-UHFFFAOYSA-N 317.392 3.969 0 40 DHAB Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1 427340 KDIVAPYMTVVQNW-UHFFFAOYSA-N 323.421 3.912 0 40 DHAB Cc1cccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)c1 527714 SZOJKVMJMHKAHF-UHFFFAOYSA-N 324.384 3.751 0 40 DHAB CC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 975673 JKNGJPOXCLSGIL-UHFFFAOYSA-N 318.376 3.719 0 40 DHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(F)ccc1F)CC2=O 1432753 YKHCTGYPQZAKSW-IAGOWNOFSA-N 307.340 3.689 0 40 DHAB Clc1ccc2c(N3CCOCC3)c3c(nc2c1)CCCC3 1621215 OAYYZVDKQAYGFV-UHFFFAOYSA-N 302.805 3.604 0 40 DHAB CC(=O)Nc1ncc2c(n1)-c1ccccc1O[C@H]2c1ccccc1 1651221 FFLDHULLIYWEEX-SFHVURJKSA-N 317.348 3.584 0 40 DHAB CCN(CC)CCC[C@H](C)Nc1ncnc2ccc(OC)cc12 1873653 HMNVCGOGXCDHBT-AWEZNQCLSA-N 316.449 3.561 0 40 DHAB CCCSc1nnc2c3c4c(sc3ncn12)CCCC4 2331092 WHYBSBFOKNPRKP-UHFFFAOYSA-N 304.444 3.720 0 40 DHAB CCOc1cc(C(=O)Nc2ccccc2)ccc1OC(F)F 2796295 CKEAMDZJQNYMQM-UHFFFAOYSA-N 307.296 3.939 0 40 DHAB Cc1ccc(C)c(OC(=O)c2ccc(N3CCCC3=O)cc2)c1C 3360545 BWLDVDKSUUMQAT-UHFFFAOYSA-N 323.392 3.958 0 40 DHAB Cc1cc(SCc2ccc(Cl)cc2Cl)[nH]c(=O)n1 4314814 BRPUPIUQJCFZGU-UHFFFAOYSA-N 301.198 3.677 0 40 DHAB CCCCN(C)C(=O)C1CCN(Cc2sccc2C)CC1 4552784 DLCKEXGLKHLDTE-UHFFFAOYSA-N 308.491 3.527 0 40 DHAB C[C@@H](CC(=O)O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 4603388 WSAZUSZQDDRFPN-CYBMUJFWSA-N 313.353 3.918 0 40 DHAB CSc1nc(SC)c2sc3c(c2n1)COC(C)(C)C3 6663470 WJBJBXOAPCKZHT-UHFFFAOYSA-N 312.485 3.986 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2)c1 6957460 ARNPJTWYVZQXNP-UHFFFAOYSA-N 302.305 3.646 0 40 DHAB Cc1sc(NCCCN(C)C)nc1-c1ccc2c(c1)CCC2 8327607 VDWPJQDUBITVON-UHFFFAOYSA-N 315.486 3.971 0 40 DHAB Cc1cc(C)cc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)c1 8708295 CSCLUSLUKQRWDD-CYBMUJFWSA-N 314.351 3.516 0 40 DHAB Cc1cc2ccccc2n1CC(=O)N1CCc2sccc2C1 9896899 OOWGCFVVUHDCET-UHFFFAOYSA-N 310.422 3.596 0 40 DHAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccccc1O)C2 10156801 KTWGFIOLACTWOZ-AWEZNQCLSA-N 318.376 3.799 0 40 DHAB C[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)c1ccc(Cl)cc1 14411660 IZXNZPBIHLLWRH-WSVYEEACSA-N 321.829 3.568 0 40 DHAB O=C1/C(=C/c2ccc(Cl)cc2)NC(=S)N1C1CCCCC1 15011287 RKRTZDOIUDSWMM-UVTDQMKNSA-N 320.845 3.730 0 40 DHAB CCCCC[C@H]1c2c(cc(C)[nH]c2=O)O[C@H](O)[C@@H]1CCCC 17105942 XYEMAWINWUXDNL-LBTNJELSSA-N 307.434 3.864 0 40 DHAB CCn1c(C)[n+](CC)c2c(F)c(F)c(C(F)(F)F)c(F)c21 17147742 CTLSLJMTFSGWNM-UHFFFAOYSA-N 311.249 3.713 0 40 DHAB CCCCOc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 20141527 ULRVMIMWDIWYBS-UHFFFAOYSA-N 313.353 3.816 0 40 DHAB Cc1ccc(OCCn2c(=N)n(CC(C)C)c3ccccc32)cc1 20158972 QEXYNQNSBJVJSN-UHFFFAOYSA-N 323.440 3.966 0 40 DHAB Oc1c(Br)cc(CN2CCCCC2)c2cccnc12 20506502 RBGQXVWUYJJKBV-UHFFFAOYSA-N 321.218 3.689 0 40 DHAB CCOCCCNC(=O)Cc1coc2ccc3ccccc3c12 21900021 GXQJTZPHJADFNN-UHFFFAOYSA-N 311.381 3.671 0 40 DHAB CCCn1c2c(c(SCc3ccccc3C)nc1=O)CCC2 28286773 OCRXZIDZYUPNDX-UHFFFAOYSA-N 314.454 3.743 0 40 DHAB O=C(NCc1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 28539807 TWVYIOGPHLZGCA-UHFFFAOYSA-N 319.286 3.512 0 40 DHAB FC(F)(F)c1ccc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1 35446678 HBZILFFEIWXJOS-JTQLQIEISA-N 309.335 3.924 0 40 DHAB biogenic,in-vitro CN(CCc1ccccn1)c1ccc2c(c1)C(=O)c1ccccc1-2 37866046 SVDZPIVNFBEDFQ-UHFFFAOYSA-N 314.388 3.972 0 40 DHAB in-vitro COc1ccc(CNCc2ccc(N(C)C)nc2)c2ccccc12 42227325 YMWJMCAXZDOJKB-UHFFFAOYSA-N 321.424 3.599 0 40 DHAB CC(C)c1nc(CC(=O)N2CCC[C@H]2c2ccncc2)cs1 43009841 ROMIIIXZIVWIJK-HNNXBMFYSA-N 315.442 3.568 0 40 DHAB CCCCN(C(=O)c1oc(Br)cc1C)C1CC1 44491365 REFZZYGPNSPGEN-UHFFFAOYSA-N 300.196 3.755 0 40 DHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2cnco2)cc1 47412932 UWQFADKYXVDEAK-MRXNPFEDSA-N 320.348 3.595 0 40 DHAB Oc1nc(-c2ccc(F)cc2)nc2nc(-c3ccccc3)oc12 53993888 UQFTYYJDWMVNGE-UHFFFAOYSA-N 307.284 3.797 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1Cl 57340314 MQINUSRAWDUHCA-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB O=C(CCOCc1ccccc1)Nc1nc(C2CC2)cs1 57467979 UYHLHPFBGGOIDP-UHFFFAOYSA-N 302.399 3.566 0 40 DHAB O=C(OC/C=C/c1ccccc1)c1cccn1Cc1ccncc1 65565257 URDZYJWOZYRJGP-VMPITWQZSA-N 318.376 3.802 0 40 DHAB CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1 67056727 WAZQEWCLKXTHHK-NWDGAFQWSA-N 318.760 3.634 0 40 DHAB Cc1ncsc1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 71882949 NSYVVRUCJIMMDA-SECBINFHSA-N 309.460 3.697 0 40 DHAB Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)cnc1N(C)C 72218649 UOIKZQHDRFPQNM-OAHLLOKOSA-N 319.449 3.918 0 40 DHAB CN(C(=O)CC1=CCCCC1)c1ccc(-c2ccccc2)nn1 83869508 NDJUZAMBOCECHO-UHFFFAOYSA-N 307.397 3.997 0 40 DHAB CC(C)Cc1noc(CN(C)CC23CC4CC(CC(C4)C2)C3)n1 84575212 SJIFXXZYIGVBNI-UHFFFAOYSA-N 317.477 3.916 0 40 DHAB CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 89493389 FDHACZBVQMFWSF-RYUDHWBXSA-N 324.412 3.787 0 40 DHAB O=C(CNc1cc(F)c(F)cc1F)NCCC1=CCCCC1 95460340 WDPRBPVFDMXHNT-UHFFFAOYSA-N 312.335 3.523 0 40 DHAB CN(CC(F)F)C(=O)NCC1CCC(c2ccccc2)CC1 95953702 JHFAQXKYMGPCQZ-UHFFFAOYSA-N 310.388 3.867 0 40 DHAB Cc1csc(=O)n1CCNC1(c2ccccc2)CCCCC1 95964896 MWVJDMARCWDUNZ-UHFFFAOYSA-N 316.470 3.667 0 40 DHAB C[C@H](CNc1nc(-c2ccccc2Cl)cs1)[S@@](C)=O 96009754 GBALDOHNQQEWMS-HOGDKLEQSA-N 314.863 3.642 0 40 DHAB Cc1ccc(N2CCC(N[C@H](C)c3cccs3)CC2)nc1 96478331 KCMUZVDLNXHTSJ-CQSZACIVSA-N 301.459 3.771 0 40 DHAB CC(C)OC(=O)NCc1ccc(NCc2cccc(O)c2)cc1 96482916 DBFXVDBTEUFFPM-UHFFFAOYSA-N 314.385 3.639 0 40 DHAB Cc1ccc([C@@H]2C[C@H]2C(=O)N(CC(F)(F)F)C2CC2)s1 97000599 AHJDOGWTVSKZJZ-GHMZBOCLSA-N 303.349 3.713 0 40 DHAB C[C@@H](Nc1ccccc1CN1CCC(O)CC1)C1CCCC1 97037808 NKZBLALATLUDHY-OAHLLOKOSA-N 302.462 3.634 0 40 DHAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 103305102 BLJYNIAWZKUEJS-VXGBXAGGSA-N 314.351 3.764 0 40 DHAB COc1ccc(CSCC(=O)Nc2ccc(F)cc2F)cc1 113932676 BGMCDHPUNOTRAH-UHFFFAOYSA-N 323.364 3.845 0 40 DHAB CC(C)Oc1ccc(NC(=O)NCc2ccccn2)c(Cl)c1 187222124 HOFMOFNXQAJZNY-UHFFFAOYSA-N 319.792 3.844 0 40 DHAB Cc1cccc(OCCNC(=S)Nc2ccccc2)c1C 223898141 WOIFXVXOSLQQFX-UHFFFAOYSA-N 300.427 3.669 0 40 DHAB CCCCCNC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224849736 JIBFKWFNRGVPSI-UHFFFAOYSA-N 316.401 3.589 0 40 DHAB CO[C@](C)(C(=O)Nc1cc(-c2ccccc2)on1)c1ccccc1 225419561 BDOSPNGAUGGKOV-IBGZPJMESA-N 322.364 3.842 0 40 DHAB CCO[C@@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@H](C)C1 225716885 AVGIGBUIXPXZQO-UGSOOPFHSA-N 305.418 3.928 0 40 DHAB Cc1csc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)c1 257218283 DCNPSXMTUKBQDY-HNNXBMFYSA-N 300.427 3.546 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)Cc2ccsc2C(=O)O)s1 566802033 SJIIWGNCULSUKR-VIFPVBQESA-N 310.444 3.713 0 40 DHAB C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H](C)O1 575421945 DDYRRJSHTGELEI-HLSYRSCKSA-N 324.262 3.662 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)o1)c1c(F)cccc1F 575610936 RGMPKCNMWLMIKV-UHFFFAOYSA-N 303.264 3.748 0 40 DHAB C[C@H](N[C@@H]1CCO[C@H](C2CC2)C1)[C@H](C)OCc1ccccc1 585093641 UIDSVGUKZLKINS-SAKMYQHLSA-N 303.446 3.527 0 40 DHAB CCOC(=O)c1cc(Br)c2ccc(Cl)cc2n1 685937207 NAOYDBCATJQZGY-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB Cc1ccc2nc(C3CC3)cc(C(=O)O)c2c1Br 1857793864 LSUQERZPJQONTH-UHFFFAOYSA-N 306.159 3.881 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c(F)cccc1C2=O 1857794792 ULMUUCXCIASVEH-UHFFFAOYSA-N 319.376 3.582 0 40 DHAB COc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1Cl 1888913300 GRFMMSRPDGLNPD-UHFFFAOYSA-N 315.764 3.567 0 40 DHAB Cc1c(C)c2ccc(OCC(=O)c3ccccc3)cc2oc1=O 407870 PNPQCIMJHQSKSZ-UHFFFAOYSA-N 308.333 3.672 0 40 DHAB O=C(c1ccccc1)N1CCN=C1SCc1ccccc1F 4120503 SPRFJEZBTMSDJA-UHFFFAOYSA-N 314.385 3.571 0 40 DHAB COc1ccc([C@H]2CN=N[C@]23CCc2ccccc2C3=O)cc1 5069231 VVWPJJSGAWNBNT-IEBWSBKVSA-N 306.365 3.813 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccccc1O 5078364 CYWCRBVTSJBWPL-GFCCVEGCSA-N 323.348 3.610 0 40 DHAB O=C(Nc1ncnc2sccc12)c1cccc(C(F)(F)F)c1 5299420 JNSBJFUNRMADRY-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB CC(C)N1C(=O)c2cccc3c(Br)ccc(c23)C1=O 5328293 WQWLDRFPFSVNEL-UHFFFAOYSA-N 318.170 3.607 0 40 DHAB O=S(=O)(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc2ccccc2c1 5949327 XMNUTAZIQGENFZ-XKQJLSEDSA-N 315.438 3.554 0 40 DHAB COc1cccc(CNC(=O)c2cc3c(s2)CCCC3)c1 6236572 ZTUNXTPEAYNXSX-UHFFFAOYSA-N 301.411 3.566 0 40 DHAB Nc1ccccc1CCNC(=O)Nc1cccc(C(F)(F)F)c1 6276739 OSQWUQQGUUERFE-UHFFFAOYSA-N 323.318 3.652 0 40 DHAB O=C(Nc1ccnn1C1CCCC1)c1ccc(OC(F)F)cc1 7705639 HXBUKGFJWWUTFV-UHFFFAOYSA-N 321.327 3.852 0 40 DHAB O=C(CNc1ccc(F)cc1)Nc1ccc(Br)cc1 7971617 IXTXHHSGDVAUPI-UHFFFAOYSA-N 323.165 3.639 0 40 DHAB O=C(/C=C/c1ccccc1)NCc1ccccc1CN1CCCC1 8011583 WGYDEPZFPQMHIJ-OUKQBFOZSA-N 320.436 3.612 0 40 DHAB O=C(NCc1ccc(F)cc1)Nc1nc2ccccc2s1 10037483 RLXKOYAFEMSFIC-UHFFFAOYSA-N 301.346 3.757 0 40 DHAB O=C(NCc1cc(-c2cccs2)on1)c1c(F)cccc1F 11025850 PLFFUMFOBSPOQI-UHFFFAOYSA-N 320.320 3.611 0 40 DHAB CC(=O)Nc1ccc(Nc2nc(Cl)nc3ccccc23)cc1 11756282 VTLZEXWTYRANGJ-UHFFFAOYSA-N 312.760 3.985 0 40 DHAB CCCCNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11902492 MHCUCGOPAMVROI-UHFFFAOYSA-N 317.389 3.732 0 40 DHAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccncc1 12533793 FNSFCHAHNWBZHR-ZDUSSCGKSA-N 317.392 3.998 0 40 DHAB COc1cccc(-c2cc(COC(=O)c3cccs3)no2)c1 12726228 IYZXSLYFAOEBCX-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB CC[C@H](C(=O)NCCn1c(C)nc2ccccc21)c1ccccc1 12741798 FNGILOUDKWIUPR-KRWDZBQOSA-N 321.424 3.655 0 40 DHAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1cccc(Cl)c1 12774866 NXHFZTQRGPJCJS-LBPRGKRZSA-N 322.861 3.538 0 40 DHAB O=C(COc1ccccc1)N[C@H](c1ccc(Cl)cc1)C1CC1 12884390 DQLLCRFCELLOCM-SFHVURJKSA-N 315.800 3.986 0 40 DHAB Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)o1 12984645 ZKBQAKBUXDFJJF-UHFFFAOYSA-N 304.434 3.507 0 40 DHAB Cc1cccc(C(=O)NCCc2ccc(OC(F)F)cc2)c1C 15098373 WSSROKBKIXIWNZ-UHFFFAOYSA-N 319.351 3.877 0 40 DHAB CCOc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCC3)cc1 15953384 GGOXYHMJFSLXAN-UHFFFAOYSA-N 305.401 3.777 0 40 DHAB COC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1 16058097 UQSLVLGCKKHXEI-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB O=c1[nH]c(CSc2ccccc2)nc2c1oc1ccccc12 18137909 PFQMXNNDPXEPEC-UHFFFAOYSA-N 308.362 3.962 0 40 DHAB Cc1cc(C)c(S(C)(=O)=O)c(Cc2ccc(C)c(C)c2)c1 18194622 LEKKSCBUVLDVDH-UHFFFAOYSA-N 302.439 3.915 0 40 DHAB CCCCC(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 20411775 IEXHFKYDHDTMTK-UHFFFAOYSA-N 320.414 3.990 0 40 DHAB COc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c(O)c1 23644035 LYCDIRYMFOTKGQ-UHFFFAOYSA-N 321.376 3.826 0 40 DHAB c1csc(-c2nc(CNc3ncnc4ccccc34)co2)c1 24894027 OPOKDGUPLHNLJL-UHFFFAOYSA-N 308.366 3.958 0 40 DHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCCc2ccccc21 30946832 BODSMFGKYCABEY-UHFFFAOYSA-N 317.392 3.524 0 40 DHAB CC(C)(C)c1nc2cc(NC(=O)c3cc(C4CC4)on3)ccc2[nH]1 32466001 FLIIIIJHMNUIKE-UHFFFAOYSA-N 324.384 3.978 0 40 DHAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCc2ccccc21 32833114 YTTVFKRUXPELBN-UHFFFAOYSA-N 308.312 3.684 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(F)c2)no1 32833242 HDJGRJSWHNTVHS-UHFFFAOYSA-N 324.311 3.936 0 40 DHAB COc1ccc([C@H](NC(=O)c2ccnc(Cl)c2)C2CC2)cc1 32848508 SFPPVIRVUCIVCI-MRXNPFEDSA-N 316.788 3.625 0 40 DHAB Cc1ccc(-n2nnc(C(=O)NC3CCCCC3)c2C2CC2)cc1 36636051 WRZKHGSORFFYHV-UHFFFAOYSA-N 324.428 3.516 0 40 DHAB Cc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1Cl 40296203 KTYATWSOTSDNLA-UHFFFAOYSA-N 303.793 3.549 0 40 DHAB CN(CCc1ccccn1)Cc1csc(Br)c1 64994252 ROFIALYRZCCSKR-UHFFFAOYSA-N 311.248 3.580 0 40 DHAB CCSc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cn1 68758593 JFTBJDWWQFONQJ-HNNXBMFYSA-N 313.426 3.566 0 40 DHAB CCCCS(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 69485722 CMSFUMVPAMNPQJ-UHFFFAOYSA-N 313.806 3.710 0 40 DHAB Cc1nc(Sc2ccc3nnc(-c4ccccc4)n3n2)oc1C 69599350 GZQVMQBVZFAZOY-UHFFFAOYSA-N 323.381 3.547 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#N 70669905 JYCSLUASXDFIEL-XHYRXIGBSA-N 313.441 3.773 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccoc2)cc1 72221635 NEYXNUSRQILDTQ-INIZCTEOSA-N 305.399 3.504 0 40 DHAB COc1ccc(-c2csc(CNC(=O)CC(C)(C)C)n2)cc1 72264936 GNVBNKVEJGMARV-UHFFFAOYSA-N 318.442 3.871 0 40 DHAB C[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)n1cccc1 72286831 HXGLKXALJVOSOO-KGLIPLIRSA-N 303.431 3.650 0 40 DHAB CCC1(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CCC1 75107014 FOLOORZHAAUKON-MRXNPFEDSA-N 303.402 3.763 0 40 DHAB Cc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4CCC[C@@H]4C3)s2)o1 79093681 BRXYQKLJDXTVCS-CHWSQXEVSA-N 316.426 3.892 0 40 DHAB Cc1nc(C)c(CNC(=O)N(C2CC2)[C@H](C)c2ccco2)s1 86424489 LCLYGUZSCWDUJS-LLVKDONJSA-N 319.430 3.788 0 40 DHAB C1=C[C@](C2=NCCO2)(c2ccccc2)NC(c2ccccc2)=C1 87493186 GKPCOLDUQIPRHS-HXUWFJFHSA-N 302.377 3.511 0 40 DHAB C[C@H]1CCCN(Cc2ccc(NCc3ccc(CO)o3)cc2)C1 95428545 DPNDLNSTRLTXAO-HNNXBMFYSA-N 314.429 3.616 0 40 DHAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c1 95915158 JOWJKXCCLLKOPJ-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2c2ncccc2F)c1 95964494 QGUFOTMPBLBBAR-HNNXBMFYSA-N 302.349 3.579 0 40 DHAB Cc1cccc(CN2CCC3(CC2)CN(c2ccccc2)C3=O)c1 96202921 RHRFMXOTZPIRBJ-UHFFFAOYSA-N 320.436 3.624 0 40 DHAB Cc1ccc(C)n1NC(=O)COc1ccc(Cl)cc1Cl 96295215 ALLMJXAIPUJAJD-UHFFFAOYSA-N 313.184 3.561 0 40 DHAB Cc1nc(CNC(=O)C(C)(C)c2cccc(Cl)c2)oc1C 96413179 IQWFOXDSFHETBL-UHFFFAOYSA-N 306.793 3.539 0 40 DHAB Cc1nc(-c2ccccc2)sc1NC(=O)NCc1ccncc1 97107761 ZEOPBHNJHMTIRG-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB CCn1cc(CNC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cn1 102598109 GGRPUDBZNPXHSQ-MJGSYPLASA-N 315.461 3.516 0 40 DHAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccc(Cl)c2)CCC1 102750962 SUTOXAIZGFTYNY-ZDUSSCGKSA-N 316.748 3.958 0 40 DHAB CC(C)n1nccc1C(=O)Nc1nc2c(s1)CCCCCC2 161837330 TZXNQNAEMRTWTR-UHFFFAOYSA-N 318.446 3.832 0 40 DHAB CCOc1cc(C=O)ccc1OCCCCN1CCCC[C@H]1C 217798769 MAPWXYHGHNHPJC-MRXNPFEDSA-N 319.445 3.931 0 40 DHAB CCOc1cc(C=O)ccc1OCCCCN1CCCCCC1 217799168 CYMCLWMYOOFIFI-UHFFFAOYSA-N 319.445 3.933 0 40 DHAB O=C(Nc1ccc(F)cc1)c1cnc(-c2ccc(F)cc2)nc1 222612481 MTAAOHGVJHWIFL-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB COc1cccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)c1 222792264 FTINOZGTRDXVJD-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB CCOc1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225106773 ZFINGOCERJEBMB-MRXNPFEDSA-N 320.772 3.813 0 40 DHAB CO[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225134937 SNQQDWDJHLGDOJ-HNNXBMFYSA-N 306.745 3.774 0 40 DHAB O=c1oc2ccccc2cc1-c1ccc(-n2cnnc2)cc1Cl 226280756 QBYKBGYXZJONSU-UHFFFAOYSA-N 323.739 3.694 0 40 DHAB O=C(O)c1cn(Cc2c(Cl)cccc2Cl)nc1C(F)F 408717826 WINSVMJWSLFIKT-UHFFFAOYSA-N 321.110 3.874 0 40 DHAB CCN1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O 409097786 OLYUCGOHVXMNHY-RVDMUPIBSA-N 312.394 3.842 0 40 DHAB O=C(NCc1cncc(-c2ccco2)c1)c1c[nH]c2ccccc12 575618966 RXSKCCUENNNCPZ-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB c1ccc2c(c1)ncn2[C@@H]1CCN(c2cc(C3CCC3)ncn2)C1 585149344 KOZZWAKUHDATCW-OAHLLOKOSA-N 319.412 3.545 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)N(CC(C)C)CC(C)C)c1 147209 VBAOXWKVQHDSGV-JXMROGBWSA-N 319.445 3.858 0 40 DHAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3F)C2)cc1 506816 NEIQNDZENPMKKY-SFHVURJKSA-N 312.344 3.532 0 40 DHAB Fc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 529445 MFAGLRXLSKLCCY-UHFFFAOYSA-N 319.343 3.567 0 40 DHAB CCOC(=O)c1cc2c(ccn2C)n1Cc1cc(C)ccc1C 1337924 AKQAPNKGLSAYDW-UHFFFAOYSA-N 310.397 3.822 0 40 DHAB COc1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1OC 1701798 LQKMRTRCPWWETR-CSKARUKUSA-N 306.385 3.852 0 40 DHAB CC(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2)cc1 3418091 MXFXLCCNYMRLPA-UHFFFAOYSA-N 303.358 3.759 0 40 DHAB O=C(Cc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 4088260 HPTIJVQZYGTWPZ-UHFFFAOYSA-N 322.389 3.884 0 40 DHAB Cc1c(C)n(C[C@H](O)CN[C@H]2CCCC[C@@H]2C)c2ccccc12 4177783 GDDCYANZONIPGV-YJLNNSPDSA-N 314.473 3.787 0 40 DHAB CCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4670599 RISUBHUYKISEHP-AWEZNQCLSA-N 304.434 3.691 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 5214487 XVQBGYURXWLSBV-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB O=C(OCC(=O)c1cc2ccccc2o1)c1cc(F)cc(F)c1 6237838 CKJXMZXWRAQXNA-UHFFFAOYSA-N 316.259 3.751 0 40 DHAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccccc1 7725673 XAPVNWSCVAUVTO-UHFFFAOYSA-N 310.353 3.514 0 40 DHAB CCOc1cc(CN[C@H](C)CC)cc(Br)c1OC 8325875 ULJLAMUPEUJAKX-SNVBAGLBSA-N 316.239 3.745 0 40 DHAB CCOc1c(Br)cc(CN[C@@H](C)CC)cc1OC 8326634 FCJSECIANIXELN-JTQLQIEISA-N 316.239 3.745 0 40 DHAB Cc1ccc2cc(-c3noc(-c4ccc(F)cc4)n3)c(=O)[nH]c2c1 9158358 ODGVZKFDRHNIHB-UHFFFAOYSA-N 321.311 3.693 0 40 DHAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3F)ccc2o1 9364707 UENSCFYWBBTTSU-SNVBAGLBSA-N 313.332 3.714 0 40 DHAB CCCCC1CCC(C(=O)Nc2cccc(C(N)=O)c2)CC1 9953367 UNXRJKOEGPTHOV-UHFFFAOYSA-N 302.418 3.721 0 40 DHAB Cc1cccc(CCCNS(=O)(=O)c2ccc(Cl)cc2)c1 10110764 OVABQGWTDOUIIO-UHFFFAOYSA-N 323.845 3.560 0 40 DHAB Cc1cc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)on1 12422438 NZQYVSWLKWULQK-UHFFFAOYSA-N 307.762 3.807 0 40 DHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 12435568 VQNCSQPEAQOATP-UHFFFAOYSA-N 314.772 3.941 0 40 DHAB COc1ccc(OC)c(NC(=O)c2ccc3ncsc3c2)c1 12688903 JSHCCAVZHPLOFV-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCCCCC1 12823623 JXYOKCXTJULRRU-UHFFFAOYSA-N 321.218 3.947 0 40 DHAB c1csc(-c2cnc(N3CCCC3)nc2-c2nccs2)c1 13266521 DJRABMZPTGWXKU-UHFFFAOYSA-N 314.439 3.929 0 40 DHAB Cc1ccc(NCc2cc(=O)n3c(C)csc3n2)c(Cl)c1 15291116 DJXOAVBFEDTWKO-UHFFFAOYSA-N 319.817 3.638 0 40 DHAB Cc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)o1 15296532 JMEXYGMTQYOCIP-INIZCTEOSA-N 314.429 3.514 0 40 DHAB COc1ccc2c(c1)C=C(C(=O)Nc1ccccc1F)C=CO2 15838759 GHGBAQVWCHEVAF-UHFFFAOYSA-N 311.312 3.763 0 40 DHAB Cc1noc(C)c1-c1nc(NC(C)C)ncc1-c1ccncc1 19581133 XATSCTMILQXEKS-UHFFFAOYSA-N 309.373 3.631 0 40 DHAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(N(C)C)nc3)cc2c1 22421031 AJTIOJQKGWAANX-UHFFFAOYSA-N 320.396 3.565 0 40 DHAB O=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)OCCCO2 23353477 QCEJYZFCAYPTKU-UHFFFAOYSA-N 320.348 3.648 0 40 DHAB Cc1ccc2c(c1)SCC(=O)N2C(=S)NC1CCCCC1 28527762 WOBBONGSSDNDCF-UHFFFAOYSA-N 320.483 3.641 0 40 DHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)o1 31266895 SWVCCQJMLKZFIJ-CYBMUJFWSA-N 321.760 3.743 0 40 DHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc2c(c1)CCC2 32666211 SCSKIYCGPGSWEI-LLVKDONJSA-N 311.347 3.978 0 40 DHAB CC(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 32726778 MLOBAWLPZPIJCX-UHFFFAOYSA-N 312.413 3.656 0 40 DHAB CCCCSCC(=O)Nc1cccc(NC(=O)NC(C)C)c1 33176167 OAFTZCCNNFNTGP-UHFFFAOYSA-N 323.462 3.688 0 40 DHAB COc1cccc(CN(C)Cc2cccc(Cl)c2)c1OC 40161692 WELSCKVWPMKMMN-UHFFFAOYSA-N 305.805 3.989 0 40 DHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(N)c(Cl)c(Cl)c1 40295148 UIMKVYLWJAVFAE-IUCAKERBSA-N 301.217 3.979 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1c(C)noc1C 58004593 MBTKUWXJMBWLBC-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB COC[C@H](C)c1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 58431528 PJCMDEIRXCYWQM-VIFPVBQESA-N 324.471 3.566 0 40 DHAB Cc1ncsc1C(=O)NCc1cccc(COC(C)(C)C)c1 69367418 OTUABZZOFHNAFZ-UHFFFAOYSA-N 318.442 3.697 0 40 DHAB OCc1cn(Cc2ccc(Br)cc2)c2ccccc12 71318681 SCFGOQGBKYOANC-UHFFFAOYSA-N 316.198 3.944 0 40 DHAB CC(C)n1nccc1NC(=O)c1[nH]c2ccc(F)cc2c1Cl 78720408 LWOSOIJIFHDVFB-UHFFFAOYSA-N 320.755 3.990 0 40 DHAB COc1ccccc1C[C@@H]1CCCN1C(=O)/C=C/c1ccco1 83979994 GKVYNRNYIBUQAF-OFAQMXQXSA-N 311.381 3.535 0 40 DHAB C[C@H](NC(=O)Cc1cccs1)c1cccc(N2CCCC2)c1 88217809 ZYUSFAYTIPEGBH-AWEZNQCLSA-N 314.454 3.768 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccccc2F)C1 89212518 PGUYPXINVIJWMD-ZDUSSCGKSA-N 308.397 3.885 0 40 DHAB Cc1ccc(CN[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 89633228 AOCYPHLCTCQHHF-ZWKOTPCHSA-N 324.468 3.611 0 40 DHAB O=C(N[C@@H]1CCCOc2ccccc21)c1ccc2c(n1)CCCC2 89857769 DVARAZREKIZVNL-QGZVFWFLSA-N 322.408 3.604 0 40 DHAB Cc1cncc(C(=O)Nc2cccc(OCc3ccncc3)c2)c1 95403449 KPVQNBCJSKRWPR-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB Cc1noc(C)c1[C@H](C)NCc1ncc(-c2cccs2)o1 95462622 HQSOHOYPZDTMGB-VIFPVBQESA-N 303.387 3.859 0 40 DHAB COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CC(C)(C)OC1(C)C 95465757 KTGRGFHSJKQQQN-CZUORRHYSA-N 319.445 3.651 0 40 DHAB Cc1cc(C(=O)N(CCN(C)C)c2ccccc2)sc1C 95957030 OFRNQFKOJQYQDC-UHFFFAOYSA-N 302.443 3.573 0 40 DHAB COc1ccc([C@@H](O)CN[C@@H]2CC(C)(C)Cc3occc32)cc1 95967216 KYCWPILOBLKWQK-SJORKVTESA-N 315.413 3.625 0 40 DHAB COc1ccc(NC(=O)NC[C@@H](OC)c2ccc(C)s2)cc1 96104876 YSAFLYMBKHFTSQ-CQSZACIVSA-N 320.414 3.574 0 40 DHAB CCN(C)c1cccc(NC(=O)NCc2nc(C)c(C)s2)c1 96434518 GVXOIJPADISZSX-UHFFFAOYSA-N 318.446 3.538 0 40 DHAB Cc1ccc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)c(C)c1 96892187 IWGQRHJKIKGBOA-LZYBPNLTSA-N 313.303 3.926 0 40 DHAB COc1ccc(C)c2s/c(=N\C(=O)C3CCCCC3)n(C)c12 100908804 XCTVNLCMHLKJBW-ZCXUNETKSA-N 318.442 3.564 0 40 DHAB Fc1cccc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1 138477032 WLDVOMONSAGNJX-UHFFFAOYSA-N 307.760 3.762 0 40 DHAB CCc1ccc(CN[C@H](Cc2nccn2C)c2ccccc2)o1 195539747 KJGQXTDEMBWLEA-GOSISDBHSA-N 309.413 3.649 0 40 DHAB CCc1onc(C)c1NC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 195553002 ODYLYHYTIKBPHV-HIFRSBDPSA-N 323.437 3.651 0 40 DHAB Nc1ccc2nn(-c3ccc(Oc4ccccc4)cc3)nc2c1 216765491 RIUOHSWKMBCLHC-UHFFFAOYSA-N 302.337 3.795 0 40 DHAB Cc1cccc(CNC(=O)CSCc2ccccc2F)c1 222708007 VRGJQXBMRXKVCL-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB CC(C)(C)c1ccccc1OCCNC(=O)NC1CCCCC1 223742591 IVWGKBBNVMWDDP-UHFFFAOYSA-N 318.461 3.995 0 40 DHAB COc1ccc(CC(=O)N[C@H](C)CCc2ccccc2)cc1C 224520745 BWOSOYYNCIOQQA-MRXNPFEDSA-N 311.425 3.684 0 40 DHAB O=C(NC1CCCCCC1)c1snnc1-c1cccs1 225786985 RYAMZLDHWSLNOM-UHFFFAOYSA-N 307.444 3.719 0 40 DHAB Cc1nc(Cc2ccccc2)ncc1C(=O)NC1CCCCCC1 225792712 XOQIUDGTXLFNFW-UHFFFAOYSA-N 323.440 3.828 0 40 DHAB Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1N 242463726 DIKKZBGQGPTGNT-LSTDLKDCSA-N 302.462 3.545 0 40 DHAB Cc1ncsc1-c1cc(C(=O)NCc2cccs2)ccn1 257211101 BXMXIOJXQZADDK-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB FC(F)(F)c1cc(N2CCC[C@@H](c3nccs3)C2)ccn1 330031601 ATGLKFAXRXARAV-SNVBAGLBSA-N 313.348 3.941 0 40 DHAB CN(C(=O)c1sccc1OC(F)F)C1Cc2ccccc2C1 390834274 VPGJCJHBGICHIA-UHFFFAOYSA-N 323.364 3.589 0 40 DHAB CN(C)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 584907259 RDJBHLUYFIVWCJ-UHFFFAOYSA-N 300.305 3.531 0 40 DHAB CO[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccc(C)cc2)C1 590289094 GMHAEYWVJAJBAI-QGZVFWFLSA-N 324.424 3.990 0 40 DHAB CSc1ncccc1C(=O)Nc1cccc(Br)c1 515896 RNHCWEOZGVPHKF-UHFFFAOYSA-N 323.215 3.818 0 40 DHAB CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 535224 BNNRPYAVZBZQMQ-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB O=C(Nc1ccc(N2CCCC2)cc1)c1c(F)cccc1F 1393213 KUUGMIWUFZBTNK-UHFFFAOYSA-N 302.324 3.817 0 40 DHAB CCOC(=O)c1ccc(C(=O)CCc2ccc(F)cc2)cc1 2517379 AMOPKWWPIUTWLN-UHFFFAOYSA-N 300.329 3.818 0 40 DHAB Cc1sc2ncnc(SCC(=O)N[C@@H](C)C(C)C)c2c1C 3417547 XGRGTIFUBBLMIT-JTQLQIEISA-N 323.487 3.561 0 40 DHAB Cc1cccc(CC(=O)Nc2ccc(N3CCCCC3=O)cc2)c1 5441237 SEZZOCJLKDROSB-UHFFFAOYSA-N 322.408 3.693 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccco1 5857263 RYGGDEWGNNOERJ-CHWSQXEVSA-N 315.369 3.977 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nccn1C 6381926 BEQRFJJYGDLPRH-MGPQQGTHSA-N 310.463 3.516 0 40 DHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1nccs1 8007645 KWRKIMZZAOIPHV-UHFFFAOYSA-N 307.425 3.509 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccccc1 8041285 LDEATQHKFAHJHI-CZUORRHYSA-N 301.361 3.861 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)c(Cl)c1 8120439 DLJMRETUILFAPP-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB O=C1c2ccccc2N[C@H](C2=Cc3ccccc3OC2)N1C1CC1 8710776 GWEHBRSQHDZXBZ-IBGZPJMESA-N 318.376 3.519 0 40 DHAB CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2ccsc21 12411306 DPEZIVKUYLCPFZ-NSHDSACASA-N 303.383 3.630 0 40 DHAB CC[C@@H](CO)Nc1nc(C)nc2scc(-c3ccccc3)c12 12817387 OTBQUVAHZXFUAJ-ZDUSSCGKSA-N 313.426 3.850 0 40 DHAB CCN(Cc1ccccc1)C(=O)c1cnc2c(cnn2C(C)C)c1 13002066 TWUGPXOVGMDOHW-UHFFFAOYSA-N 322.412 3.675 0 40 DHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc(Cl)c1 13069760 WJIAGNNQSWSECS-LBPRGKRZSA-N 300.789 3.730 0 40 DHAB CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 13470647 UWIJYYWLVMTPJH-UHFFFAOYSA-N 312.413 3.599 0 40 DHAB Cc1ccccc1CSc1nc2ccsc2c(=O)n1C 14017360 MYDADMYSKIKOJS-UHFFFAOYSA-N 302.424 3.596 0 40 DHAB Cc1nc(SCc2cccc(F)c2)c(C(N)=O)c(C)c1C 14248702 RPJVQMPLALRBCH-UHFFFAOYSA-N 304.390 3.537 0 40 DHAB Cc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccccc2)cc1 16739315 LWIPPCWZUCNHCH-NRFANRHFSA-N 321.444 3.645 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 20034925 JEJHGXOWEBZPAW-CYBMUJFWSA-N 303.789 3.905 0 40 DHAB CN(Cc1ccc(Cl)cc1)Cc1nc(O)c2sccc2n1 23702021 VRYAFZRKEPHAIK-UHFFFAOYSA-N 319.817 3.682 0 40 DHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccccc2F)n1 25015099 ATBUZDKZZIONGV-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1)c1ccc(-n2cccc2)cc1 28303991 GIZMGSCINJVIOQ-MRXNPFEDSA-N 320.392 3.734 0 40 DHAB O=C(NCC[C@H]1CCCO1)c1ccccc1Nc1ccccc1 29653232 SDPLIWLSIFYCOE-MRXNPFEDSA-N 310.397 3.729 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1 30849974 GUCHUWUBJLVRHL-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccco1 32070930 CSLYSACHVBYPEW-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB COc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 32817494 WWVYTQFUCSUFCB-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB C[C@H]1CO[C@H](C)CN1C(=O)/C=C/c1cccc(Cl)c1Cl 36395333 KPDZZCIWAPVQEJ-FQLSZKSXSA-N 314.212 3.642 0 40 DHAB C[C@]1(C(=O)N2CCCc3c(F)cc(F)cc32)CC1(Cl)Cl 40090399 ZZWRMCZIKBNIEF-CYBMUJFWSA-N 320.166 3.828 0 40 DHAB COc1ccc2oc(C)c(C(=O)NCCc3ccccc3)c2c1 41156397 GIOCBIQRTLHKPE-UHFFFAOYSA-N 309.365 3.722 0 40 DHAB COc1ccc(C(=O)NC[C@H](Nc2ccccc2)C(C)C)cc1 42790964 NHSXRFQTBIYGAI-SFHVURJKSA-N 312.413 3.562 0 40 DHAB C[C@@H](NC(=O)CCCOc1ccccc1Cl)c1cccnc1 50552783 JGMSGRDFQFACPQ-CYBMUJFWSA-N 318.804 3.771 0 40 DHAB Cc1nsc(NC(=O)N2CCC[C@H](C3CCCCC3)C2)n1 55098927 SDXOERYXUMOXKS-ZDUSSCGKSA-N 308.451 3.671 0 40 DHAB CC(C)COc1ccc(CNC(=O)N(C)Cc2ccco2)cc1 57114369 GXGJTEIFNAPROW-UHFFFAOYSA-N 316.401 3.656 0 40 DHAB Cc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)[nH]n2)cc1C 57510969 PHVVLYVTKSXTKE-UHFFFAOYSA-N 317.352 3.806 0 40 DHAB Clc1ccccc1OCCn1cc([C@H]2CC=CCC2)nn1 67947339 UZGPGTZBORIVNP-ZDUSSCGKSA-N 303.793 3.834 0 40 DHAB CCC(O)(CC)CNC(=O)c1oc2ccc(Cl)cc2c1C 72295135 FBTIDXXZFNGQEP-UHFFFAOYSA-N 309.793 3.676 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)sc1C 72297406 LHSGELYFMAPKMO-CYBMUJFWSA-N 318.417 3.919 0 40 DHAB Cc1cc(CN(Cc2cc(C)no2)c2ccc3c(c2)CCC3)on1 78605042 JIDWCKDPWDRYIK-UHFFFAOYSA-N 323.396 3.975 0 40 DHAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccccn1 79042856 QYJIKAATIDYKBC-QWRGUYRKSA-N 322.767 3.519 0 40 DHAB O=C(N[C@H](c1nccs1)C1CC1)N1CCC2(CCCCC2)C1 80456606 QJNRJUUTBSEEIY-AWEZNQCLSA-N 319.474 3.960 0 40 DHAB Cc1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 82335573 ZCRXWCQHDKCJNV-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB COc1ccccc1NC(=S)N[C@H]1C[C@H]1c1cccc(F)c1 83982606 GXDBNFJWXGSQNJ-ZFWWWQNUSA-N 316.401 3.677 0 40 DHAB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc[nH]c2=O)cc1 84284348 HLVWJGSVKIPAOI-QGZVFWFLSA-N 324.424 3.650 0 40 DHAB C[C@H](NCc1ccc([S@@](C)=O)cc1)c1csc(C2CC2)n1 84667549 DGZMPYHTLQHXJD-MQJDWESPSA-N 320.483 3.609 0 40 DHAB CC(C)(C)c1n[nH]cc1CNCc1cccc(OC(F)F)c1 89694598 DXWDNGPBSKZYKJ-UHFFFAOYSA-N 309.360 3.598 0 40 DHAB C[S@@](=O)c1ccc(NCc2ccc(Cl)s2)cc1F 95429298 QBVWDUDMHVCZTD-SFHVURJKSA-N 303.811 3.890 0 40 DHAB N[C@@H](c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 95533955 OYMTUGCDOCVIQE-ZDUSSCGKSA-N 319.195 3.827 0 40 DHAB COCC[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccco1 96002042 YQQQGTWTAPRPIU-GFCCVEGCSA-N 319.311 3.691 0 40 DHAB Cc1ccsc1C(=O)Nc1ccc2c(c1)C(C)(C)CC(=O)N2 96182976 YQDUMDQWHMHTRM-UHFFFAOYSA-N 314.410 3.929 0 40 DHAB C[C@@]1(C(=O)NC2(c3nccs3)CCCC2)CC1(Cl)Cl 96407330 FVSOYCAITHRGRM-NSHDSACASA-N 319.257 3.613 0 40 DHAB O=C(CCCn1cccn1)Nc1cccc(NC2CCCC2)c1 96410528 PRDADGFELQQCFR-UHFFFAOYSA-N 312.417 3.657 0 40 DHAB Cc1ccc(C)c(C(=O)/N=c2\sc3cccc(C)c3n2C)c1 100884841 VIZGQUXUUYXTKN-HNENSFHCSA-N 310.422 3.906 0 40 DHAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccc(Cl)c2)CCC1 102750959 SUTOXAIZGFTYNY-CYBMUJFWSA-N 316.748 3.958 0 40 DHAB c1ccc(-c2nsc(N(Cc3cccnc3)C3CC3)n2)cc1 153166095 IGICSBPZBRHVPH-UHFFFAOYSA-N 308.410 3.769 0 40 DHAB Cc1nc(CS[C@H]2CCc3ccccc3NC2=O)cs1 190937168 BDIAFABJAXZNDQ-AWEZNQCLSA-N 304.440 3.638 0 40 DHAB COc1ccc([C@@H]2CCCCN(C(=O)CC(F)(F)F)C2)cc1 206885453 WRWXMAGJHBXYDO-CYBMUJFWSA-N 315.335 3.744 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C 224397314 ZABHDTBREJCRKG-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)NCCc1ccc(F)cc1 224433755 CXLMTMMUGKOYGF-QGZVFWFLSA-N 315.388 3.650 0 40 DHAB CCOc1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)cc1 226763319 FJPMSOVYYBPVKP-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB CC[n+]1cc(Br)cc(-c2nc3cc(C)ccc3o2)c1 226774774 BNVUSDYIOMHEFD-UHFFFAOYSA-N 318.194 3.873 0 40 DHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cc(Cl)cnn1 256053900 UCAYRGPYAUWYNM-HNNXBMFYSA-N 317.776 3.604 0 40 DHAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)[nH]1 260769236 KPWJNUCQURHGGQ-XFBWCDHKSA-N 312.442 3.616 0 40 DHAB O=C(c1ccc(Br)cc1C(F)(F)F)C(F)F 309048089 XLMJXDNVZCXZLG-UHFFFAOYSA-N 303.024 3.916 0 40 DHAB CCCN1C(=O)S/C(=C/c2ccc(OC(C)C)cc2)C1=O 409252426 RULSJOYCMHCOCS-GXDHUFHOSA-N 305.399 3.920 0 40 DHAB COc1cccc2c1N(C(=O)c1oc(C(C)C)nc1C)CCC2 577892679 DISQWGXWLXLVOX-UHFFFAOYSA-N 314.385 3.708 0 40 DHAB COc1cccc(CC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c1 1776001932 TXIVQXUFCIGMGL-ROUUACIJSA-N 311.425 3.872 0 40 DHAB COc1c(Cl)cc(Cl)cc1C(=O)NCc1ccccc1 41800 ODVOZCKYSLZUFK-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 364837 ICVPZOYCUDJWBB-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB O=C(c1ccc(Br)cc1)[C@@H]1CCc2occc2C1=O 529522 OSGNVDXVAYENHQ-LBPRGKRZSA-N 319.154 3.670 0 40 DHAB Cc1cc(OC[C@@H](O)CN[C@H](C)c2ccccc2)ccc1Cl 1469932 COZCCBGXWRWDCY-ZBFHGGJFSA-N 319.832 3.739 0 40 DHAB O=C(Nc1ccccc1C(=O)O)c1ccc(Cl)cc1Cl 1598598 ASTCPSSTWVTFMT-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CCCCc1ccc(NC(=O)N[C@H](C(=O)O)[C@H](C)CC)cc1 2428699 UGTCQNZJDLMHSO-DOMZBBRYSA-N 306.406 3.650 0 40 DHAB NCCSc1cc(C(F)(F)F)nc2c(Cl)cccc12 2525206 IRQZFVIYTYIYIR-UHFFFAOYSA-N 306.740 3.958 0 40 DHAB biogenic C/C=C(/NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2560012 MCHXCZMMTWJODE-LAZPYJJCSA-N 323.348 3.514 0 40 DHAB Cn1cnnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 2618457 XNYLPEHDARLIIN-INIZCTEOSA-N 309.394 3.531 0 40 DHAB Cc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c(C)o1 3571458 MJSMRJMGDNYCCX-UHFFFAOYSA-N 311.337 3.726 0 40 DHAB CC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C 4591653 BXWTYBDFRSRDAC-JLTOFOAXSA-N 322.408 3.926 0 40 DHAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl 4667098 AEXPCUOCUOTZML-SKDRFNHKSA-N 322.257 3.850 0 40 DHAB CCN(CC)CCCNC(=O)Nc1cn(CC)c2ccccc12 5266022 JIYNUEKHTNZWQD-UHFFFAOYSA-N 316.449 3.515 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)OCc1ccccc1 5440627 UUUBGEZGTJGGSY-UHFFFAOYSA-N 310.353 3.562 0 40 DHAB Cc1cc(NC(=O)COc2ccccc2-c2ccccc2)no1 5442481 DLORJEYLYMMBEY-UHFFFAOYSA-N 308.337 3.668 0 40 DHAB CCc1ccc(N2C(=O)S/C(=C/c3cccn3C)C2=O)cc1 5552661 AKBPAVKNYKCYAC-RVDMUPIBSA-N 312.394 3.828 0 40 DHAB Cc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)c(Cl)cc1Cl 5749668 UKFUQLHJPQAQKU-SECBINFHSA-N 322.257 3.722 0 40 DHAB CCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1 6405702 VWITZZVOZLVTAK-UHFFFAOYSA-N 303.383 3.748 0 40 DHAB Cc1cc(C)c2c(n1)sc1c(NCc3ccncc3)ncnc12 6673313 NIYRBKNLGDJZGO-UHFFFAOYSA-N 321.409 3.863 0 40 DHAB O=c1[nH]c(/C=C/c2c(F)cccc2Cl)nc2ccccc12 6909535 NESYEXIYQNUXHB-CMDGGOBGSA-N 300.720 3.886 0 40 DHAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(F)c1 7402806 VQYVUOVNQWJBKE-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CCc1nnc(NC(=O)[C@H](CC)Nc2ccc(C)c(C)c2)s1 7460221 LOGIBRMIZRZWEE-ZDUSSCGKSA-N 318.446 3.547 0 40 DHAB CCN1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 7964204 VAWACGMVEIQFLK-UHFFFAOYSA-N 324.424 3.693 0 40 DHAB CCCCOC(=O)c1ccc2nc(NC(=O)CC)sc2c1 8903180 KCEHCPYDGTXYHL-UHFFFAOYSA-N 306.387 3.602 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cccc(NC(C)=O)c1 9455584 XZPUREZJCWRWGD-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)O 12243761 NVTYOXYHOQDJRD-UHFFFAOYSA-N 303.261 3.715 0 40 DHAB O=C(OCc1ccccn1)c1ccccc1C(=O)c1ccccc1 12544125 VBQIZPZBIFDWJZ-UHFFFAOYSA-N 317.344 3.670 0 40 DHAB O=C(O)c1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 13094521 RVDUMOBSQAWTFP-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB Cc1cc2n(n1)[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 13123881 ONWDLTBSWXSNBZ-SFHVURJKSA-N 305.337 3.560 0 40 DHAB O=C(O)c1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 13166316 DDSCEPVGLHPLHN-UHFFFAOYSA-N 323.392 3.513 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)CCCc1ccccc1 13856311 NEKLJIYXAJYNNB-UHFFFAOYSA-N 324.424 3.788 0 40 DHAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N1CCCC1 14189303 NPFFMDDAEXNDGN-BQYQJAHWSA-N 302.374 3.585 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 14224897 KQJFXIYVQRKNGP-UHFFFAOYSA-N 321.417 3.602 0 40 DHAB O=C1Nc2ccc(Br)cc2[C@@H]1Cc1cccs1 15017896 ACYAMURIBWZSEF-NSHDSACASA-N 308.200 3.789 0 40 DHAB Cc1cc(C)c(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)c1 16267165 ORLXTGRTPBABNN-BOPFTXTBSA-N 306.365 3.709 0 40 DHAB Cc1ccc(NC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 16384880 GHNKFLALUQTFQX-UHFFFAOYSA-N 313.426 3.506 0 40 DHAB CCCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 19736212 CMDCQCCYBWOUGJ-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB CSc1cccc(NC(=O)c2noc3c2C[C@H](C)CC3)c1 20572141 GPLSTRSNNOLDKW-SNVBAGLBSA-N 302.399 3.774 0 40 DHAB Cc1ccccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 23384181 IGJWZCWPDIMPPW-LJQANCHMSA-N 309.409 3.581 0 40 DHAB COc1ccccc1CNC(=O)N[C@@H](C)c1cccc(Cl)c1 25987439 OZZDDVHRVZLSON-LBPRGKRZSA-N 318.804 3.909 0 40 DHAB CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26295947 NCVPGPFCMOECBL-KGLIPLIRSA-N 314.351 3.949 0 40 DHAB CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 32645798 HADLBAUAOBKGBG-UHFFFAOYSA-N 315.348 3.608 0 40 DHAB CCC(C)(C)NC(=O)COc1ccc(Oc2ccccn2)cc1 32907192 ZOABFSRBEGCKIE-UHFFFAOYSA-N 314.385 3.558 0 40 DHAB Cc1cc(C)c2c(n1)sc1c(SCCN(C)C)ncnc12 36640151 YFPDEHZJQNXWMB-UHFFFAOYSA-N 318.471 3.510 0 40 DHAB CN(Cc1ccccc1)C(=O)Nc1cccc(OC(F)F)c1 40120524 YPAOPSZEGOGQRW-UHFFFAOYSA-N 306.312 3.952 0 40 DHAB CC(C)[C@H](CNC(=O)c1ccnc(Cl)c1)Nc1ccccc1 43695576 AXOJMJJAQQLXJI-HNNXBMFYSA-N 317.820 3.602 0 40 DHAB COc1ccc(Cl)cc1C(=O)N(C)Cc1ccccc1F 49929347 ZELRHZBAYSWXJF-UHFFFAOYSA-N 307.752 3.760 0 40 DHAB CSc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 55747946 KAYGKVJUTJXFTJ-UHFFFAOYSA-N 323.364 3.940 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)Cc1cccnc1 57030148 UBYDYUQKTSEIFJ-QGZVFWFLSA-N 324.424 3.559 0 40 DHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 57561394 BJLIVGNDPFUOSX-GOSISDBHSA-N 308.381 3.704 0 40 DHAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@@H]1CC1CCCCC1 58290860 QYTSQCOHYOEKSX-CQSZACIVSA-N 322.836 3.603 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)COC3)cc1 64378787 YEHLJJOUXIVFBE-UHFFFAOYSA-N 310.397 3.815 0 40 DHAB CCOc1ccccc1CN(C)Cc1nc(CCC(C)C)no1 64508688 BHEDHYKIGOWMFP-UHFFFAOYSA-N 317.433 3.689 0 40 DHAB O=C(c1cnccn1)N(Cc1ccccc1F)C1CCCCC1 65551629 XMNCECKALCHDSS-UHFFFAOYSA-N 313.376 3.591 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cccnc1 68183184 JXSFDPZNESZTHC-DQYPLSBCSA-N 314.816 3.939 0 40 DHAB CC(C)(C)c1nc(CNC(=O)c2c(F)cccc2F)cs1 69518592 VBDKORKBRAWEHC-UHFFFAOYSA-N 310.369 3.649 0 40 DHAB Cc1nc(-c2ccsc2)ccc1C(=O)N(C)Cc1ccccn1 69561581 XWWXYGRWTDOALA-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB O=C(NCCc1nccs1)N[C@H](c1ccccc1)C1CCC1 69705346 AZNBLLLRMWHQKQ-MRXNPFEDSA-N 315.442 3.526 0 40 DHAB Cc1ccnc(N2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)n1 71920539 ZZYLBIWLDLMRSM-INIZCTEOSA-N 323.375 3.656 0 40 DHAB CNc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72212532 AZPOFURFFQIBQF-MRXNPFEDSA-N 311.385 3.597 0 40 DHAB Cc1ccc(Oc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1 72260107 UEQLFAVTPXUDPF-KBPBESRZSA-N 315.369 3.630 0 40 DHAB CCCO[C@H]1CCCN(C(=O)c2cccc3ncccc23)CC1 72273244 OHVHMDNASBRLNS-HNNXBMFYSA-N 312.413 3.656 0 40 DHAB Cc1cnc(Nc2nccnc2[C@H]2CCCN2C(C)C)s1 72386994 GLLDENFCHROCJR-GFCCVEGCSA-N 303.435 3.530 0 40 DHAB CC(C)c1nnc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)o1 75838422 CMDOFRFEGYTUNT-MRXNPFEDSA-N 314.433 3.596 0 40 DHAB Cc1ncc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)s1 78182259 JDYYOXWRIYUKAL-JSGCOSHPSA-N 300.427 3.778 0 40 DHAB CCOC[C@@H]1CCN(C(=O)Nc2nc([C@H](C)CC)cs2)C1 81637641 SRIMHSOEBQIWAI-VXGBXAGGSA-N 311.451 3.547 0 40 DHAB Cc1cccc2nc(CN[C@H](C)c3ccccc3N(C)C)cn12 93944972 HAEVTNIVTZGBKM-OAHLLOKOSA-N 308.429 3.560 0 40 DHAB COc1ccccc1[C@H](C)NCc1ccc(F)c(CN(C)C)c1 95422495 SCDNEGNOBNEELL-AWEZNQCLSA-N 316.420 3.747 0 40 DHAB C[C@H](NC1C[C@@H]2CCC[C@H](C1)N2C)c1cc(F)c(F)c(F)c1 95968639 JYNUQIGSNKDOBC-HLVVYCRESA-N 312.379 3.770 0 40 DHAB Cc1cccc(N(C)C(=O)c2cc(Br)ccc2F)n1 96411582 ANDGPJUGGSWTAZ-UHFFFAOYSA-N 323.165 3.568 0 40 DHAB CC(=O)N1CCN(Cc2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc2)CC1 97371497 DMEFGMKMTCSSSL-UHFFFAOYSA-N 429.520 4.395 0 40 DHAB COc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 168155781 XHJOZHKUHNWZAN-GIPNMCIBSA-N 310.850 3.824 0 40 DHAB CC(C)Sc1nnc(NC(=S)Nc2ccccc2)s1 225553576 AQZGIFALTCPBEP-UHFFFAOYSA-N 310.473 3.848 0 40 DHAB CCOc1ccccc1-c1noc(Cc2nc(C)sc2C)n1 273703959 LHERFGSEOPBLDK-UHFFFAOYSA-N 315.398 3.799 0 40 DHAB CCC(CC)[C@H](NC(=O)N1CC(C(C)(C)O)C1)c1cccs1 332049578 TUMOLJKAFACWNQ-HNNXBMFYSA-N 324.490 3.638 0 40 DHAB CC(C)(C)c1ccccc1OCC(=O)N[C@H]1C[C@H]2CC[C@H]1C2 408694570 JVMTUECWCVIEDJ-DZKIICNBSA-N 301.430 3.668 0 40 DHAB CCOC(=O)C1=C(C)N=C(SC(C)C)N[C@@H]1c1ccccc1 408987129 DOIKNWAYUHSBTR-OAHLLOKOSA-N 318.442 3.666 0 40 DHAB CC1(C)C[C@H](NCc2ccc(Oc3ccc(F)cc3)nc2)CO1 417872439 JKQZTULESNTAMA-HNNXBMFYSA-N 316.376 3.670 0 40 DHAB Cc1cnc(-c2noc([C@@H]3CC(C)(C)Oc4ccccc43)n2)nc1 575161802 UPKOSPPFQHSPSP-CYBMUJFWSA-N 322.368 3.528 0 40 DHAB Cc1cnccc1O[C@H]1CCN(c2ccc3ccccc3n2)C1 1889186935 NYNGYRBIOMDYPG-INIZCTEOSA-N 305.381 3.596 0 40 DHAB Cc1cc(OCC(=O)N(C)Cc2ccccc2)cc(C)c1Cl 63699 LCWUZFGGHUEHJK-UHFFFAOYSA-N 317.816 3.994 0 40 DHAB Cc1cc(Cl)n(C[C@@H](O)c2c(Cl)cccc2Cl)n1 159835 RZVSMVMPRMPTJG-SNVBAGLBSA-N 305.592 3.885 0 40 DHAB O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)C1CC1 358908 OUWQILOJEHCYIF-UHFFFAOYSA-N 312.394 3.702 0 40 DHAB O=c1c2cc3c(cc2[nH]c(=S)n1C1CCCCCC1)OCO3 425096 PNOOZHHWBPVFAL-UHFFFAOYSA-N 318.398 3.683 0 40 DHAB Cc1ccccc1OCCCCn1c(CO)nc2ccccc21 1926882 YEWMBRYMNOCMSQ-UHFFFAOYSA-N 310.397 3.696 0 40 DHAB COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1Cl 3613810 FAPNHUPEHUGPOB-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)O)c(C)c1 4134807 RMUFPXRCLOKWRL-UHFFFAOYSA-N 315.394 3.732 0 40 DHAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(Cl)cc1Cl 4507975 ZXQIPXWURBZHRX-WDZFZDKYSA-N 308.120 3.931 0 40 DHAB CCC(CC)C(=O)Nc1nnc(COc2cccc(C)c2)s1 4694992 FTLVMLWXQZUSIE-UHFFFAOYSA-N 319.430 3.800 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 5866634 XJDMALUZDHQWRU-QWHCGFSZSA-N 313.850 3.541 0 40 DHAB CCC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 5937679 LXNLVPXWKKPVIT-MRXNPFEDSA-N 311.381 3.615 0 40 DHAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 6529104 HTGSMMMTDIVVIW-UHFFFAOYSA-N 324.254 3.625 0 40 DHAB Cc1nn(C)c(C)c1CNCCC12CC3CC(CC(C3)C1)C2 6651090 XLKCJVNRRJSAGV-UHFFFAOYSA-N 301.478 3.733 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccc(F)c(F)c2)N1C1CC1 7088341 LYHCGKSPAPWZHS-MRXNPFEDSA-N 300.308 3.694 0 40 DHAB Cc1cc(C(=O)OCc2csc(-c3ccsc3)n2)on1 7855669 KXJUGAVHINCELY-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB COc1ccc(C)cc1[C@H](C)NC(=O)Cc1noc2ccccc12 8130453 OPSAZLYIEMWURG-ZDUSSCGKSA-N 324.380 3.565 0 40 DHAB Cc1cc(C2=NN=C(NC(C)(C)C)SC2)c(C)n1C1CC1 9417742 NAMCMNDGBBXYKQ-UHFFFAOYSA-N 304.463 3.635 0 40 DHAB COc1ccc(C(C)=O)cc1COc1cccc2c1CCC2=O 10197919 VPJJQPKYAYYAAL-UHFFFAOYSA-N 310.349 3.606 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1C 15366686 HFTHDKPTIDNIFV-CQSZACIVSA-N 301.361 3.526 0 40 DHAB O=C(NCCc1ccccc1)N1CCC[C@@H]1c1cccs1 15837693 ZSDGZWHGWYACQF-OAHLLOKOSA-N 300.427 3.837 0 40 DHAB Cn1c(=N)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 19943531 PQSLWDCEKJHUIS-UHFFFAOYSA-N 306.196 3.814 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1 22521797 IYNPZFGODCCRGL-UHFFFAOYSA-N 321.467 3.538 0 40 DHAB O=C(O)c1cccnc1SCc1cc(-c2ccccc2)no1 24926895 HGPHSGQXPDUIGX-UHFFFAOYSA-N 312.350 3.727 0 40 DHAB O=C(Cc1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1 32074588 REOZZCYTPPIKAG-UHFFFAOYSA-N 304.393 3.902 0 40 DHAB O=C(/C=C/c1cccc(F)c1)Nc1cccc(-c2nnco2)c1 32777329 MPSDDUBZIFWPHO-BQYQJAHWSA-N 309.300 3.528 0 40 DHAB Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 32915507 JPBZVBOGIXZHQS-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB CCc1ccccc1NC(=O)NCCOc1ccc(F)cc1 35597154 PYHRSWVKIIHJCN-UHFFFAOYSA-N 302.349 3.589 0 40 DHAB O=C(Nc1sccc1C(=O)O)c1ccc2c(c1)CCCC2 37450768 UWVSFBFXEQPMQG-UHFFFAOYSA-N 301.367 3.577 0 40 DHAB in-vitro O=C(Nc1cccnc1)c1ccc2c(c1)ncn2-c1ccccc1 38488571 CFKYEYUTKSAZGD-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB O=C(Nc1ccc(Cl)c(Br)c1)c1cccnc1 38538269 OTOQGLIHXSOEBC-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB CSc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 38852581 LGYGYHFVEATZRK-UHFFFAOYSA-N 323.421 3.906 0 40 DHAB COc1ccc(C2=CCN(C(=O)c3ccc(C)s3)CC2)cc1 40119717 GMGVWPLUYWAWJG-UHFFFAOYSA-N 313.422 3.995 0 40 DHAB O=C(CCc1cccc(Cl)c1Cl)N1CCSCC1 40122309 IWKBDCZWWXRAJH-UHFFFAOYSA-N 304.242 3.501 0 40 DHAB Cn1c(CN2CCOc3ccccc32)nc2cc(Cl)ccc21 40139336 SNEQEQSKLBZTBM-UHFFFAOYSA-N 313.788 3.626 0 40 DHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 48065946 ARQREOITWQMFAU-BMGYJQCNSA-N 316.401 3.527 0 40 DHAB Cc1oc(-c2cccs2)nc1CN(C[C@H]1CCOC1)C1CC1 48235376 FMNARGRYNBPQND-CYBMUJFWSA-N 318.442 3.712 0 40 DHAB COc1ccc(C(=O)CCNc2ccc(F)cc2)cc1OC 49911958 KGRHNLQUVGOYJK-UHFFFAOYSA-N 303.333 3.528 0 40 DHAB biogenic,in-vitro COc1ccc(NCc2ccc(O)c(Br)c2)cc1 57998003 DNAIUBIHRMEWML-UHFFFAOYSA-N 308.175 3.775 0 40 DHAB Cc1cccnc1NC(=O)N1CCC(n2c(C)ccc2C)CC1 58223079 MVXITUNUSWFVBV-UHFFFAOYSA-N 312.417 3.677 0 40 DHAB Clc1cccc(OCCOc2nnc(-c3ccccc3)o2)c1 58313019 MGAXVEVXPNHMOX-UHFFFAOYSA-N 316.744 3.848 0 40 DHAB COc1ccc(F)cc1C(=O)Nc1cnc(-c2ccccc2)nc1 58441814 YUZIPTJYMKSRGS-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB CCCN(Cc1ccccc1)CN1C(=O)C[C@@H]1c1ccccc1 59578489 WNKXEDOSWQXVID-LJQANCHMSA-N 308.425 3.830 0 40 DHAB C[C@@H]1C[C@H]1C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cccnc1 68183188 JXSFDPZNESZTHC-JLZZUVOBSA-N 314.816 3.939 0 40 DHAB Nc1ccc2c(/C=C/c3ccccn3)nn([C@@H]3CCCCO3)c2c1 69593869 NSPUYMWXWXSVAJ-RQMBKDMJSA-N 320.396 3.883 0 40 DHAB in-vitro Cc1ccc(-c2snnc2C(=O)N2CCCCCC2)cc1 71195332 YGIQCVWHMQFFNU-UHFFFAOYSA-N 301.415 3.530 0 40 DHAB O=C(Oc1ccc2sc(=O)oc2c1)c1sccc1Cl 71405113 PRULKPTZCLXSKI-UHFFFAOYSA-N 312.755 3.789 0 40 DHAB CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1C[C@H]1c1cccnc1 71884288 WLJSCOWBENDGHN-GJZGRUSLSA-N 318.779 3.636 0 40 DHAB Cc1noc(C)c1CNC1(c2ccc(Cl)cc2)CCOCC1 71886820 UOKRNMFMYMMYTN-UHFFFAOYSA-N 320.820 3.740 0 40 DHAB COc1cccc(OC)c1[C@@H]1CCCN1C(=O)OC(C)(C)C 72221418 ICHLGFKAPWMABS-LBPRGKRZSA-N 307.390 3.776 0 40 DHAB CCSc1ccc([C@H](C)NC(=O)NCc2ccncc2)cc1 72271054 WPISSYLZLFVGNI-ZDUSSCGKSA-N 315.442 3.754 0 40 DHAB CCc1nc(COc2ccnc3cc(OC)ccc23)cs1 72921103 WSADSZHQWVUNLM-UHFFFAOYSA-N 300.383 3.841 0 40 DHAB CCc1cnc(NC(=O)c2ccccc2OC2CCC2)s1 81232578 QWJLGGHBZDLTJP-UHFFFAOYSA-N 302.399 3.889 0 40 DHAB Cc1nc(Cl)ccc1C(=O)NC[C@@H]1CCCc2ccccc21 84028787 VAPFYWBEXNMZIM-AWEZNQCLSA-N 314.816 3.893 0 40 DHAB COc1cc(-c2nc(-c3cccc(Cl)c3)n[nH]2)ccc1O 85384098 VEALMICYYCPLEX-UHFFFAOYSA-N 301.733 3.506 0 40 DHAB C[C@H](NC1CCC(O)CC1)c1ccc(SC(F)F)cc1 90800402 LZSKEKFQHXSDSE-PKSQDBQZSA-N 301.402 3.955 0 40 DHAB FC(F)(F)c1ccc(-n2cc(NCc3cscn3)cn2)cc1 92846218 BCHRCWULDMQKDG-UHFFFAOYSA-N 324.331 3.960 0 40 DHAB COc1ccc(C2(c3cc(-c4cnc(N)s4)ccn3)CC2)cc1 95629745 VTQJKRACQUJFKB-UHFFFAOYSA-N 323.421 3.876 0 40 DHAB Cc1nc(CC(=O)N2C[C@H](C)Sc3ccccc32)cs1 96461669 LUTFDWMEOPOAOH-JTQLQIEISA-N 304.440 3.521 0 40 DHAB Fc1ccc2oc(COc3nnc(-c4ccccc4)o3)nc2c1 96465938 MHIWCCPIAMWWRF-UHFFFAOYSA-N 311.272 3.596 0 40 DHAB O[C@H](C[C@H]1CCCCCN1Cc1cscn1)c1ccco1 96468678 HFGVCZNETUBZOA-HUUCEWRRSA-N 306.431 3.604 0 40 DHAB Cc1nnc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 96493204 OQMVPTATLXXRSO-CQSZACIVSA-N 311.307 3.638 0 40 DHAB Cc1c(-c2ccccc2)nc(SCCOC(C)(C)C)[nH]c1=O 97148306 FMNALNTYLJZAES-UHFFFAOYSA-N 318.442 3.653 0 40 DHAB C[C@H](C[C@@H](O)c1ccco1)N[C@@H]1CCCNc2ccccc21 192967741 UTOWXQLRNWTZFN-KBRIMQKVSA-N 300.402 3.628 0 40 DHAB Cc1nc(NC(=S)NC(C)C)c(Br)cc1Cl 223873209 FRINIEPCZIYALO-UHFFFAOYSA-N 322.659 3.501 0 40 DHAB Cc1ccc(NC(=S)NCCCc2ccccc2Cl)nc1 225542385 FGAZGRUQNGDXNJ-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 225629110 QVDFOSNBBOMEPO-UHFFFAOYSA-N 323.392 3.994 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(N)c(Cl)cc1Cl 226304472 GNAXADNKGOZIBR-RKDXNWHRSA-N 301.217 3.979 0 40 DHAB CCN(CC)c1ccc(N)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 226323918 OVRWMNNKEMKTEB-KBPBESRZSA-N 303.450 3.518 0 40 DHAB Fc1cccc(Cc2cnc([C@H]3CCCN3CC3CC3)o2)c1 257245783 IRBCWEXNCKEBHV-QGZVFWFLSA-N 300.377 3.951 0 40 DHAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)(C)C)OCC[C@@]31C2 257272795 NDXKIPLCCATBOU-VAKMMLMKSA-N 307.478 3.769 0 40 DHAB CC(C)(C)c1coc(NC(=O)C[C@H]2OCCc3ccccc32)n1 574819370 CNVYHYWECAQUBE-CQSZACIVSA-N 314.385 3.615 0 40 DHAB CC(=O)Nc1ccc(NC(=O)[C@H](CC(C)C)n2cccc2)cc1 575443122 VEDDOYBCTGWBBJ-KRWDZBQOSA-N 313.401 3.672 0 40 DHAB CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(C)cc3)s2)C1 585137999 HAPQRADWDDFOFV-INIZCTEOSA-N 314.454 3.768 0 40 DHAB Cc1cc(=O)oc2cc(Cl)c(OC(=O)c3ccccc3)cc12 89907 GREBACDKQIIOPJ-UHFFFAOYSA-N 314.724 3.974 0 40 DHAB CN(C)c1ccccc1NC(=O)c1scc2c1CCCC2 104466 WOYXPRITRYFLPW-UHFFFAOYSA-N 300.427 3.945 0 40 DHAB COc1ccc(-n2ncc3c(NC4CCCCC4)ncnc32)cc1 425611 OHDWKUYULFOHDK-UHFFFAOYSA-N 323.400 3.569 0 40 DHAB Nn1c(SCc2ccccc2)nnc1-c1ccccc1Cl 527467 STDBRNKKDYJMKZ-UHFFFAOYSA-N 316.817 3.605 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1 1103576 CJOBXEJUMWKOMV-NSHDSACASA-N 305.761 3.755 0 40 DHAB CSc1nc2ccc(NC(=O)c3ccccn3)cc2s1 2629148 LHWVRSDAUUGLBM-UHFFFAOYSA-N 301.396 3.666 0 40 DHAB CC(=O)c1cc2c(nc1C)-c1cc(Cl)cc(Cl)c1O[C@@H]2O 2661547 YHLPPIHUYMGQCX-HNNXBMFYSA-N 324.163 3.950 0 40 DHAB COc1cccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1 3566829 GCDWNZAQLNDPCG-UHFFFAOYSA-N 309.287 3.895 0 40 DHAB Clc1nc(CN2CCCCC2)nc2sc3c(c12)CCC3 3886952 DOOBXNPTUKTSNY-UHFFFAOYSA-N 307.850 3.819 0 40 DHAB CN(CCOC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4843904 AUEZYOFQTZXSQB-UHFFFAOYSA-N 313.441 3.744 0 40 DHAB O=C(Oc1ccccc1)C1=C(C(=O)Oc2ccccc2)CCC1 4972386 DBUUQUXXTFQYKK-UHFFFAOYSA-N 308.333 3.678 0 40 DHAB Cc1c(C(=O)N(C)c2ccccc2)oc2c1[C@@H](O)CC(C)(C)C2 5245432 REMNGFYZORPUMY-AWEZNQCLSA-N 313.397 3.870 0 40 DHAB CCC[P@@](=O)(O)OCCOc1ccc(Cl)cc1Cl 5249268 UYMKCFJYGZJHCH-UHFFFAOYSA-N 313.117 3.984 0 40 DHAB Cc1cc(C)n(-c2cc(N3CCCC3)nc(-c3ccccc3)n2)n1 5426938 DQNFCTBUZZTEQB-UHFFFAOYSA-N 319.412 3.546 0 40 DHAB CC(C)N(C)CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 5962880 RGWSLNIQOSVCQW-SFHVURJKSA-N 303.446 3.844 0 40 DHAB COc1cc(CNCc2ccc(Cl)cc2)cc(OC)c1OC 6085959 JGOUJKBEBSJRDX-UHFFFAOYSA-N 321.804 3.656 0 40 DHAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccc(F)cc1)n2C 6202287 JRMYYTMPMKZGRT-HTXNQAPBSA-N 314.385 3.737 0 40 DHAB CC[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(OC)cc1 7037315 XAJBEZHMBSFNPB-GOSISDBHSA-N 313.397 3.514 0 40 DHAB Cc1ccccc1CNC(=O)c1ccc(N2CCCCC2)cc1 7504633 BDDYOSUERVSKOH-UHFFFAOYSA-N 308.425 3.915 0 40 DHAB Cc1ccc(F)cc1NC(=O)CCC(=O)c1ccc(F)cc1 8079124 IGIDALJVKHWMPT-UHFFFAOYSA-N 303.308 3.875 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 9115040 MFWLBWQPGFXTEZ-KRWDZBQOSA-N 305.381 3.849 0 40 DHAB Cc1cc(OCC(=O)N[C@@H]2CCc3ccccc32)ccc1Cl 12821900 RKOJHJOQRCMDAK-QGZVFWFLSA-N 315.800 3.831 0 40 DHAB Fc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)cc1 13127443 IFONQRWGEAJRGE-CVEARBPZSA-N 312.323 3.703 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)cc1F 13258713 LAYYIVDTLAEDTC-UHFFFAOYSA-N 307.708 3.738 0 40 DHAB COc1ccc(-c2nc(CC(=O)Nc3ccccc3)cs2)cc1 14022664 QCEDAZADQORFGO-UHFFFAOYSA-N 324.405 4.000 0 40 DHAB Cc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cn1 14201839 CGIYJFWHCHAMNC-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(F)ccc1F 15583497 WDHIYYPJOKPOMF-NSHDSACASA-N 316.351 3.893 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)c1cc2ccccc2o1 16147242 UOIFZJZHLYPMTQ-UHFFFAOYSA-N 309.365 3.892 0 40 DHAB COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(C)c1 17054461 AGAYSLSQGZAMOE-UHFFFAOYSA-N 317.819 3.519 0 40 DHAB Cc1cc(COC(=O)c2ccc(COc3ccccc3)o2)no1 17144631 PACXBWRPDXWZGU-UHFFFAOYSA-N 313.309 3.512 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@H](C)SCc1cc(C)no1 25691954 PHYBNXZUSBNACT-LBPRGKRZSA-N 320.414 3.560 0 40 DHAB O=C(NOCc1ccccc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 29728584 GTMUFYKRDDDVAY-CHWSQXEVSA-N 316.323 3.539 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 31300815 LUZVUCJXRBZGIZ-HNNXBMFYSA-N 310.397 3.693 0 40 DHAB Cc1ccc(NC[C@@H](O)c2ccc(Br)cc2)cc1 32204761 IKZNHEBRGOQSNY-OAHLLOKOSA-N 306.203 3.903 0 40 DHAB CCONC(=O)c1cccnc1Sc1cc(C)ccc1C 32848304 YZQLLUUQKICIDM-UHFFFAOYSA-N 302.399 3.531 0 40 DHAB COCc1ccc(CNC(=O)/C=C/c2ccc(C)s2)cc1 33190497 NIDYPYUWMMLEFO-MDZDMXLPSA-N 301.411 3.533 0 40 DHAB Cc1ccccc1NC1(c2nnnn2-c2ccccc2)CCCC1 35622097 HTMHCYVDHAXMJT-UHFFFAOYSA-N 319.412 3.852 0 40 DHAB Cc1ccc(Cl)cc1NCC(=O)Nc1cc(C(C)(C)C)no1 39987721 JNPFBHDEKOZBBR-UHFFFAOYSA-N 321.808 3.985 0 40 DHAB Cc1ccc2ncn(Cc3csc(C(C)(C)C)n3)c(=O)c2c1 47369437 TTXXRRCDEOJQQC-UHFFFAOYSA-N 313.426 3.507 0 40 DHAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC(C)C 49287476 OKWSWSGMPQAWCG-UHFFFAOYSA-N 300.836 3.972 0 40 DHAB O=C1O[C@@H](c2ccc(O)cc2)Nc2cc(C(F)(F)F)ccc21 54363791 BTHXVASKUZHAGW-ZDUSSCGKSA-N 309.243 3.692 0 40 DHAB C[C@@H](c1ccco1)N(C(=O)Cc1ccc2c(c1)CCO2)C1CC1 56183368 NDUSVCYHONIMME-ZDUSSCGKSA-N 311.381 3.509 0 40 DHAB COc1c(CN[C@@H]2CCCc3ccccc32)c(C(C)C)nn1C 58407783 VNVLKDYWMKMHMO-QGZVFWFLSA-N 313.445 3.719 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccco1)c1nc(-c2ccccc2)c[nH]1 63488834 ZEAKOOYIVFJHIT-LXKVQUBZSA-N 307.353 3.560 0 40 DHAB CCO[C@H]1CCCN(C(=O)Nc2ccc(CCSC)cc2)C1 69633079 VLMKKXDIVJZFGO-INIZCTEOSA-N 322.474 3.625 0 40 DHAB Cc1cnn([C@H](C)[C@H](C)NCc2cc(-c3cccs3)on2)c1 69652049 DIRLBZVDSBBGDA-QWHCGFSZSA-N 316.430 3.647 0 40 DHAB CC(C)c1cnc(CSc2nc(-c3cccs3)n[nH]2)o1 71904402 JIAWUTMLDUQKPO-UHFFFAOYSA-N 306.416 3.937 0 40 DHAB COc1cc(C)c([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72218052 SQJNGQNDSOABKT-KRWDZBQOSA-N 310.397 3.766 0 40 DHAB Cc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1 72238582 FDORAELBTCLDBP-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB Cc1c(C[S@@](C)=O)cccc1NC(=O)/C=C/c1ccccc1 72286770 CVMBSGAVPQWFSS-LEQVUBRHSA-N 313.422 3.525 0 40 DHAB COc1cc(C(=O)NCCC2=CCCCC2)nc2ccccc12 72329556 PWKXIAQWGYCQSD-UHFFFAOYSA-N 310.397 3.864 0 40 DHAB CCSCC[C@@H](C)N(C)C(=O)c1ccc(Br)o1 75382026 ZBEJUEBDHGFKTF-SECBINFHSA-N 320.252 3.646 0 40 DHAB C[C@@H]1CCN(C(=O)CCCc2ccccn2)[C@H](c2ccco2)C1 75389781 ZHFTYFBDCNZZJC-WBVHZDCISA-N 312.413 3.997 0 40 DHAB CC(C)(CNC(=O)c1cc2cccc(F)c2o1)[C@H]1CCCCO1 79102059 JTZCBSOGWIWBIL-OAHLLOKOSA-N 319.376 3.897 0 40 DHAB Cc1cc(OCCOc2nnc3ccccn23)ccc1C(C)C 84090081 BQQLRGXKFCQPKQ-UHFFFAOYSA-N 311.385 3.619 0 40 DHAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C)c1ccccc1F 84736174 DKCVQELSOUAMGS-IYOUNJFTSA-N 318.436 3.513 0 40 DHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]1c1ccco1 84796814 JOTVWNDYCVQIAW-NEPJUHHUSA-N 318.760 3.634 0 40 DHAB Cc1cc(CNc2cncc(SCc3ccccc3)n2)no1 89604944 YLVDKZWRFIFUFH-UHFFFAOYSA-N 312.398 3.677 0 40 DHAB CCC(CC)n1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2SC)n1 89943230 NASSWAKDYKONDJ-GJZGRUSLSA-N 309.479 3.600 0 40 DHAB CC(C)Oc1ccc(CN[C@@H](C)c2nc3ccccc3n2C)cn1 91287177 PVWYVZCZRYQZGK-AWEZNQCLSA-N 324.428 3.606 0 40 DHAB COc1ccsc1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 95443761 JWLKKHILEDBIBV-UHFFFAOYSA-N 323.324 3.823 0 40 DHAB CC[C@@H](Cc1ccccc1)N(C)C(=O)Cc1c[nH]c2ncccc12 96462009 KQXCNVRMTANXBZ-KRWDZBQOSA-N 321.424 3.585 0 40 DHAB CC(C)C[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 97143133 SCJSHYMJUFKCDR-UAGQMJEPSA-N 304.434 3.641 0 40 DHAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1nc2ccccc2[nH]1 103632707 XHUHFRCZWUVSAF-YUYGLALOSA-N 323.440 3.979 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1C[C@H]1c1ccccc1F 104491009 PZGHOKMRQSGPRN-WMLDXEAASA-N 308.356 3.901 0 40 DHAB COc1ccc(CCCNC(=O)CCc2ccccc2F)cc1 223093436 JKDKQYXEGSGJJC-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB CCOc1cccc(NC(=S)NCc2ccccc2C)c1 225309604 MEOVTKDDLRJRKN-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CC[C@H](NC(=O)Cc1ccccc1F)c1ccc(OC)c(C)c1 225452500 WBQCNQYSVGYPCU-KRWDZBQOSA-N 315.388 3.953 0 40 DHAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225637131 KANDUDJZKWZKFZ-FZKQIMNGSA-N 305.418 3.928 0 40 DHAB CO[C@@](C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1 225645764 JZCFPJKIRMIZQH-GOSISDBHSA-N 305.418 3.844 0 40 DHAB CC(C)C[C@H]1C[C@@H](NC(=O)c2ccccc2)[C@@H]2CCC[C@H]2O1 257335032 YIKIUGJLGQZEET-WNRNVDISSA-N 301.430 3.789 0 40 DHAB O=C(CCCOc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 408705749 MSJFFIDHYODVHP-HEHGZKQESA-N 307.821 3.804 0 40 DHAB CNc1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1N 526059775 CECPFRHDNLTBLM-UHFFFAOYSA-N 318.424 3.912 0 40 DHAB CC(C)Cc1ccccc1CNC(=O)N[C@@H](C)c1cscn1 528046095 UIBCHJNTSCEHHH-ZDUSSCGKSA-N 317.458 3.902 0 40 DHAB CC(=O)N/C(=C/c1cccs1)c1nc(C2CCCCC2)no1 585136579 LSRQKDROSXWVDH-GXDHUFHOSA-N 317.414 3.813 0 40 DHAB O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(C(F)(F)F)cc1 269327 MBFPJEVYHYKFKZ-UHFFFAOYSA-N 321.254 3.628 0 40 DHAB c1ccc2c(c1)ncn2-c1ncnc2sc3c(c12)CCCC3 356735 RLVIUQSKHZTGPS-UHFFFAOYSA-N 306.394 3.909 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@@H]2CCCc3ccccc32)c1 364460 BUCDGDNHGITUHB-GOSISDBHSA-N 311.381 3.511 0 40 DHAB O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccco1 377440 PTRVOUDFKYEIBH-UHFFFAOYSA-N 302.333 3.705 0 40 DHAB COC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1 484526 BNAPFRFTKFBMMQ-UHFFFAOYSA-N 315.394 3.512 0 40 DHAB Cc1cc(C)n(-c2nc3ccccc3nc2N2CCCCCC2)n1 499761 RBZHQYGAGSUUKZ-UHFFFAOYSA-N 321.428 3.813 0 40 DHAB C[C@@H](NCCCSc1ccccc1)[C@@H](O)c1ccc(O)cc1 1565067 KNPDZXNZIJNVNH-RDTXWAMCSA-N 317.454 3.586 0 40 DHAB OCc1nc2ccccc2n1CCCOc1ccccc1Cl 1926875 BLOOINZZGXETDM-UHFFFAOYSA-N 316.788 3.651 0 40 DHAB O=C(Nc1nccs1)[C@]1(c2ccccc2)CC1(Cl)Cl 2217119 PLAFJNHPMMZWDH-GFCCVEGCSA-N 313.209 3.597 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1C 2426802 KEQFORLQPQDVPK-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB CCc1ccccc1N[C@@H]1OC(=O)c2c1ccc(OC)c2OC 2429982 VOXUBUHGKJTLMG-QGZVFWFLSA-N 313.353 3.547 0 40 DHAB CC(C)N(C(=O)COC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 3222911 UOEQNJATXDNVHK-UHFFFAOYSA-N 319.445 3.786 0 40 DHAB O=C(NC1=NN(c2ccccc2)CC1)Nc1cccc(Cl)c1 3242558 LXPCIOYRLOEPKC-UHFFFAOYSA-N 314.776 3.685 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)CSc2nncs2)cc1 3413423 XUXUYKPIKQZXKD-SNVBAGLBSA-N 307.444 3.782 0 40 DHAB Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1Cl 3443791 AQOBXTDEUAAZHC-UHFFFAOYSA-N 324.207 3.997 0 40 DHAB Cc1csc(NC(=O)COc2ccc(C(C)C)c(C)c2)n1 3561893 KAYNUVKZIFJWSU-UHFFFAOYSA-N 304.415 3.901 0 40 DHAB Cc1csc(NC(=O)/C=C/c2cccc(Br)c2)n1 3562113 YTYMOHSSONANFH-AATRIKPKSA-N 323.215 3.866 0 40 DHAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(CO)cc1 5183247 GZBLEKNFZGJZED-UHFFFAOYSA-N 311.164 3.843 0 40 DHAB CCSc1ncc(Cl)c(C(=O)N(C)Cc2ccccc2)n1 6810444 VVEDUBFFKBAOGI-UHFFFAOYSA-N 321.833 3.514 0 40 DHAB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 6965742 MLWSFEFOMDCJBZ-PMUMKWKESA-N 306.365 3.915 0 40 DHAB CSc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 7053475 DZQVDNBFDLUQTL-UHFFFAOYSA-N 313.831 3.863 0 40 DHAB COc1ccccc1CC(=O)N[C@@H]1CCSc2ccccc21 7269239 BPIVTOQRFAUGQN-OAHLLOKOSA-N 313.422 3.591 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccccc2)s1 7345194 MDWISCUYGLSIGD-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)cc1F 7671762 BGCRRTICAWNSJO-VCFDLTMXSA-N 305.299 3.995 0 40 DHAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)c1 7882287 KDYOFADDLOAOMI-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c(C)c1C 8132611 HCOIBNARWPXOOE-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc12 8467355 ZMHRVFHDWOPTKT-UHFFFAOYSA-N 305.337 3.705 0 40 DHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cccnc1 8780125 LBDOMLCZBKFCQP-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2)n1 9431710 KRUGETOMILTUMK-UHFFFAOYSA-N 323.805 3.503 0 40 DHAB CO[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 9553809 JAWBIEMUJUUWJK-QGZVFWFLSA-N 301.773 3.684 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)NCCC1=CCCCC1 9694941 QSCHEJWISZGETE-UHFFFAOYSA-N 313.850 3.650 0 40 DHAB C[C@H]1Cc2cc(-c3cn4ccccc4n3)ccc2N1C(=O)C1CC1 12088193 VFYDEMAZPLLCST-ZDUSSCGKSA-N 317.392 3.689 0 40 DHAB Cc1ccc2cccc(OCC(=O)N3CCc4ccccc43)c2n1 12484991 MXDIZUNMLPSFCK-UHFFFAOYSA-N 318.376 3.511 0 40 DHAB Cc1ccc(-n2ncc(C(=O)NC3CCCCCC3)c2C)cc1 12858036 OHOLURKUNAKJAJ-UHFFFAOYSA-N 311.429 3.942 0 40 DHAB CC(C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14792825 YRSWBVGSYKUOFR-CQSZACIVSA-N 310.397 3.772 0 40 DHAB Fc1cccc(Cl)c1CSc1n[nH]c(C(F)(F)F)n1 16941320 IOZHBOCSRVIWDM-UHFFFAOYSA-N 311.691 3.908 0 40 DHAB Oc1ccc(CCNC(=S)Nc2ccccc2Cl)cc1 17031444 QEKCROKTOPECJN-UHFFFAOYSA-N 306.818 3.575 0 40 DHAB Cc1ccc(-c2cc3nc(-c4ncccc4C)cc(O)n3n2)cc1 19212281 ZCLLVIVHILYJII-UHFFFAOYSA-N 316.364 3.781 0 40 DHAB Cc1noc(C)c1CC(=O)NCCC12CC3CC(CC(C3)C1)C2 19627937 OKVVSZVWIMRBKS-UHFFFAOYSA-N 316.445 3.557 0 40 DHAB C[C@H]1C[C@@H](C)CN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)C1 20729168 ZKVWTHGVYYKKBU-USBNGQNGSA-N 320.820 3.925 0 40 DHAB Cc1ccc(CCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 21975645 APCSSIYUUINGAN-UHFFFAOYSA-N 322.412 3.892 0 40 DHAB CCN1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 22796286 ZTVINIAKHPUDQD-UHFFFAOYSA-N 324.453 3.500 0 40 DHAB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 24923593 FNHYRWKZCMTADH-CYBMUJFWSA-N 305.377 3.913 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24929595 OEENRHDGSQZCNN-KCJUWKMLSA-N 308.353 3.607 0 40 DHAB COc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)cc(OC)c1 24975029 AAWQSQFJKTZTSA-UHFFFAOYSA-N 315.413 3.715 0 40 DHAB C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@H]1CCCO1 27876048 RZLMOYZUVCDKLG-JOYOIKCWSA-N 319.348 3.596 0 40 DHAB Cc1ccc(C(=O)CSc2nncn2-c2ccccc2)cc1 32171263 IWLGYGHQDRQAQX-UHFFFAOYSA-N 309.394 3.551 0 40 DHAB CC(C)(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 32911865 YUFDXEUDZNEMCU-MRXNPFEDSA-N 321.417 3.891 0 40 DHAB CC(=O)Nc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1 32996082 DWWJKCQGNYMXGT-UHFFFAOYSA-N 313.397 3.767 0 40 DHAB Cc1cccc(N(Cc2ccccc2Cl)S(C)(=O)=O)c1 33768075 QEQLECZVFXVPBH-UHFFFAOYSA-N 309.818 3.615 0 40 DHAB CCCCO[C@@H](C)C(=O)Nc1ccc(Br)cc1C 48367333 TWDWYUXBHBRAOS-NSHDSACASA-N 314.223 3.901 0 40 DHAB O=C(O[C@@H](c1ccccc1)c1ccncc1)c1cc(C2CC2)on1 62680813 SROVOWAEQDRQBK-SFHVURJKSA-N 320.348 3.893 0 40 DHAB O=C1C[C@@H](C(F)(F)F)c2cnn(-c3ccccc3Cl)c2N1 66089609 GQMXUAYWIMRXGG-MRVPVSSYSA-N 315.682 3.514 0 40 DHAB COc1ccccc1NC(=O)N[C@H](C)COc1ccc(C)cc1 67528175 XXQNQCAQYMVHAG-CQSZACIVSA-N 314.385 3.593 0 40 DHAB O=C([C@@H]1Cc2ccccc2O1)N1CCCCC[C@H]1c1ccncc1 71798125 QTEBCRKIHMKIFT-HKUYNNGSSA-N 322.408 3.529 0 40 DHAB COc1cccc(-c2nsc(NC(=O)c3cccs3)n2)c1 72238596 QINYMACGURWWBK-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB Fc1ccc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)cc1 72243078 BUACVYVZCPTOTJ-GOSISDBHSA-N 322.387 3.574 0 40 DHAB COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@@H](C)c1ccco1 76088687 DKESAMLEJHRKHH-RYUDHWBXSA-N 320.364 3.891 0 40 DHAB Cc1ccc(CC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cn1 76093672 XJBNZQFEGJUQOO-DJJJIMSYSA-N 312.388 3.681 0 40 DHAB CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(C)oc2C)cs1 80818473 FUBGJBVUSRGXBP-GFCCVEGCSA-N 322.430 3.723 0 40 DHAB C[C@H](CNC(=O)[C@@H]1CC=CCC1)c1nc2ccccc2s1 84638301 DNRBXPNUZGKPFZ-CHWSQXEVSA-N 300.427 3.872 0 40 DHAB c1ccc(-c2ncc(CN3CCC[C@@H]3c3ccc[nH]3)s2)nc1 89884667 ZQHCVWPYLKEHAN-MRXNPFEDSA-N 310.426 3.870 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)o1 92662002 SNPFBPXJLNNIRB-JLSDUUJJSA-N 319.445 3.563 0 40 DHAB Cc1ccccc1CCCN1C(=O)C[C@](C)(c2ccccc2)C1=O 95448507 ZSXUZBXGYHAMJQ-OAQYLSRUSA-N 321.420 3.644 0 40 DHAB CN(C[C@H](O)C1CC1)C(=O)N(c1ccccc1)c1ccccc1 97238771 NLTDJCHZGGSGRF-SFHVURJKSA-N 310.397 3.647 0 40 DHAB O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H]1C[C@H]2C=C[C@H]1C2 101410569 WJYUQHBMPRWSSS-UHXUCMFUSA-N 303.402 3.691 0 40 DHAB CSc1ccc(CNC23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc1 101585581 RPTOKXUCCSHRLQ-QEFXCSQDSA-N 303.471 3.582 0 40 DHAB C[C@@H](NC(=O)CCOc1cccc(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 109020267 AZHVRIOMKOWTRK-FHIRATQRSA-N 305.393 3.536 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(F)cc1 113959522 ZOAVURSAPPHKCR-KRWDZBQOSA-N 301.361 3.608 0 40 DHAB Cc1cc(NC(=O)COCC2CC2)ccc1Oc1ccncc1 193703156 GIKBRIYFJAQWNY-UHFFFAOYSA-N 312.369 3.547 0 40 DHAB CC1=CCC[C@H](C)[C@@H]1CN1CCC(OC2CCOCC2)CC1 195575841 SYQIZYSEWALVKY-QFBILLFUSA-N 307.478 3.639 0 40 DHAB CCCOc1cccc(C(=O)n2cc(C(=O)O)c3ccccc32)c1 216957101 SJOUGJZVWZMHNF-UHFFFAOYSA-N 323.348 3.817 0 40 DHAB CC(C)NC(=S)Nc1ccc(Sc2ccccc2)nc1 223875620 BWQOMJYBRGEWRQ-UHFFFAOYSA-N 303.456 3.928 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(F)cc1 224437272 LPBNKZGTOHBRCA-SFHVURJKSA-N 315.388 3.650 0 40 DHAB COc1ccc(C)cc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225117413 ZPUALXNFRBRSAB-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB COc1ccc(CCC(=O)NCCCc2ccc(C)cc2)cc1 225314642 DNOFCBYJGZDUNE-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB C[C@@H](NC(=O)c1n[nH]c2c1CCCCCC2)[C@@H]1C[C@H]2CC[C@H]1C2 248376613 DBSJVCSOXDFVEP-HOSILWTGSA-N 315.461 3.623 0 40 DHAB O=C(C[C@H]1C=CCC1)N1CCC(OCCc2ccccc2)CC1 390834286 VTJJEXMRGUZVLU-SFHVURJKSA-N 313.441 3.593 0 40 DHAB O=C(CCc1ccccc1)c1ccc(OCCN2CCCC2)cc1 575359248 YJELQAKSPAEONC-UHFFFAOYSA-N 323.436 3.977 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](c3ccsc3)C2)c1 670695433 REYSNFVTUZDLLJ-AWEZNQCLSA-N 321.467 3.543 0 40 DHAB O=C(Nc1ccccc1F)c1cc(F)c(Cl)nc1Cl 385084 FJEDTCOZJLYRSF-UHFFFAOYSA-N 303.095 3.919 0 40 DHAB CCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21 523770 BDFDSTNVUXGFHJ-UHFFFAOYSA-N 311.385 3.686 0 40 DHAB CCN(C(=S)NC(=O)c1ccccc1)c1ccc(Cl)cc1 559092 OBUXEUKTUPXFHK-UHFFFAOYSA-N 318.829 3.881 0 40 DHAB CCOC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 561019 XGUOTOWKOKWXAL-UHFFFAOYSA-N 313.397 3.967 0 40 DHAB COc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1 566371 AXOCUPLIPMCXPA-AWEZNQCLSA-N 315.438 3.633 0 40 DHAB COC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1 4275694 KHWXWKRNQJVKFC-UHFFFAOYSA-N 301.776 3.502 0 40 DHAB CCc1nnc2n1N=C(c1ccc(Cl)cc1Cl)CS2 4602478 LIDJKHOTNYPZJJ-UHFFFAOYSA-N 313.213 3.505 0 40 DHAB CCCc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)n(C)n1 4770127 BAZJHGZLKQUZOV-UHFFFAOYSA-N 319.408 3.877 0 40 DHAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 5464532 AMYBKXZYYOCSCW-GFCCVEGCSA-N 303.333 3.630 0 40 DHAB CCCCCCOC(=O)NCCOC(=O)Nc1ccccc1 5734684 LKHRIRIADDSFMT-UHFFFAOYSA-N 308.378 3.542 0 40 DHAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 6342043 PJKONPPORNPMMA-UHFFFAOYSA-N 317.345 3.806 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 7195844 DXJBXOXMQWPRGV-NEPJUHHUSA-N 318.467 3.910 0 40 DHAB O=C(NCCc1ccc(F)cc1)c1ccccc1C(F)(F)F 7345134 WRUDSYZFRUWWQS-UHFFFAOYSA-N 311.278 3.817 0 40 DHAB Cc1cccc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)c1O 7700573 PSFWLAZOADHTBA-GFCCVEGCSA-N 323.348 3.610 0 40 DHAB CC(C)c1noc2nc(-c3ccc(F)cc3)cc(C(=O)O)c12 8394151 XIUGFVYWYYPYKR-UHFFFAOYSA-N 300.289 3.851 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2 8783063 VMLBYIAVHBDFGA-UHFFFAOYSA-N 324.376 3.598 0 40 DHAB biogenic,in-vitro COc1ccc(/C=C(\Cl)c2nc(=O)c3sccc3[nH]2)cc1 9476887 RHCNEONWZVEZHR-FLIBITNWSA-N 318.785 3.730 0 40 DHAB Cc1ccc(F)cc1C(=O)NCCc1nc2ccccc2s1 9501047 HCBZDEYZKHHZRC-UHFFFAOYSA-N 314.385 3.716 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)CCc1c(C)nn(C)c1C 10509147 BXYREWXGIQORFN-UHFFFAOYSA-N 305.809 3.570 0 40 DHAB Oc1ccccc1-c1nc2cnccn2c1NCc1cccs1 12113758 DHTBFZQYSVQZKE-UHFFFAOYSA-N 322.393 3.776 0 40 DHAB Cc1ccc(NC(=O)c2cc(C)no2)c(C(=O)c2ccccc2)c1 12422534 BIKFQLUNUKABMD-UHFFFAOYSA-N 320.348 3.775 0 40 DHAB O=C(Nc1nc2c(s1)CCCCC2)c1n[nH]c2ccccc12 12507540 LQJOZTWCBBQBRU-UHFFFAOYSA-N 312.398 3.541 0 40 DHAB Cc1ccc(C2=Nc3cccnc3C(c3ccccc3)=NN2)cc1 13572833 NDGNJSWMORBPNK-UHFFFAOYSA-N 312.376 3.824 0 40 DHAB O=C(Cc1ccc2c(c1)CCC2)Nc1cccc2cccnc12 14094717 BKMVYUPXKHTHOT-UHFFFAOYSA-N 302.377 3.905 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(F)cc1 14738034 GRPPYYGNSDPPFX-HUUCEWRRSA-N 315.388 3.731 0 40 DHAB CCN(CC)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 17288043 UKQIOJMJGGBDRV-UHFFFAOYSA-N 315.808 3.624 0 40 DHAB COc1ccc(-c2cc(C(=O)N(C)OC)c3ccccc3n2)cc1 17793194 VOFKTFGQVHMHKO-UHFFFAOYSA-N 322.364 3.544 0 40 DHAB Cc1ccc(C(=O)CCC(=O)Nc2ccnn2C(C)C)cc1C 22291842 QJYYMMVAGABEHS-UHFFFAOYSA-N 313.401 3.682 0 40 DHAB C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1F 23269034 GBMRHCXPFKDKSR-CYBMUJFWSA-N 309.344 3.502 0 40 DHAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccccc2F)n1 25015005 MUEXTAFXNASVMM-UHFFFAOYSA-N 323.371 3.809 0 40 DHAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)C1CC1 28305140 LDJAVBXSKBOURZ-UHFFFAOYSA-N 310.184 3.587 0 40 DHAB Cc1cccc(Cn2cc(NC(=O)c3ccc(C)s3)cn2)c1 32610072 DQGFKDXRGDJIDE-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB O=C(CNC1CCCC1)N1c2ccccc2CCc2ccccc21 35311535 XUOGEEDOITYVCO-UHFFFAOYSA-N 320.436 3.982 0 40 DHAB O=C(Nc1cccc2nsnc12)C12CC3CC(CC(C3)C1)C2 35672747 VFYXNZVXVGLDDX-UHFFFAOYSA-N 313.426 3.846 0 40 DHAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2cccc(O)c2)C1 36358990 VSSZYKHGHXKARO-ZDUSSCGKSA-N 323.327 3.841 0 40 DHAB CCOc1ccc([C@@H](O)c2ccc(Br)cc2)cc1 40243362 FKRMRASOLCHADC-HNNXBMFYSA-N 307.187 3.930 0 40 DHAB Cc1n[nH]c2c1[C@H](c1cccc3cccnc13)SCC(O)=N2 44900897 WRLHQALAFHAIHE-HNNXBMFYSA-N 310.382 3.691 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1cc(F)c(N2CCCC2)c(F)c1 47917500 QQWZYTPBOYDJOF-GFCCVEGCSA-N 306.356 3.860 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)C1(c2ccccc2)CC1 48263953 ZGVYQKMAHCLNEQ-UHFFFAOYSA-N 322.433 3.987 0 40 DHAB O=C(Nc1nnc(SCc2cccs2)s1)c1ccoc1 53285248 TUQAQBLHFVZITN-UHFFFAOYSA-N 323.424 3.737 0 40 DHAB Cc1nn(C)c2ncc(NC(=O)c3cccc4ccccc34)cc12 55395297 OELZCJLLHIMTFR-UHFFFAOYSA-N 316.364 3.682 0 40 DHAB O=C(Nc1nccs1)C1(c2cc(-c3cccs3)on2)CC1 56919012 QHLFIIJHOCAPSO-UHFFFAOYSA-N 317.395 3.530 0 40 DHAB COCCn1c(SCc2c(C)noc2C)nc2ccccc21 58100511 YSAWODFKCURMJZ-UHFFFAOYSA-N 317.414 3.580 0 40 DHAB CC1=NN(c2ccc(C(=O)OCc3ccccc3F)cc2)CC1 58413374 TXOXCUHMDSATFH-UHFFFAOYSA-N 312.344 3.769 0 40 DHAB COc1cccc2c1ccn2CC(=O)Nc1ccc2cc[nH]c2c1 62001540 JWQWAHNPVFELMY-UHFFFAOYSA-N 319.364 3.770 0 40 DHAB biogenic COc1ccc(C(=O)CSc2ncccc2Cl)cc1F 70211302 UKXZHPWHBMZFIL-UHFFFAOYSA-N 311.765 3.858 0 40 DHAB CC(C)NC(=O)C1CCN(CCc2ccc3ccccc3c2)CC1 71907793 NPMLODHLOHIMQG-UHFFFAOYSA-N 324.468 3.619 0 40 DHAB Cc1c(CNCc2ccc([S@@](C)=O)cc2)oc2ccccc12 85324669 YKOBJQLIVVIQEV-QFIPXVFZSA-N 313.422 3.768 0 40 DHAB CC(C)(C)OC(=O)[C@H](NC1CC(C(F)F)C1)c1ccccc1 95945579 WNORCIHDNFDSJZ-JXQTWKCFSA-N 311.372 3.703 0 40 DHAB FC(F)c1nnc(NCc2ccc(Br)cc2)s1 95971867 WVMLLSOZZMMNSX-UHFFFAOYSA-N 320.162 3.850 0 40 DHAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2C)no1 95998806 RPPKYBOMFKNYBO-HNNXBMFYSA-N 314.389 3.836 0 40 DHAB O=C(Nc1ccn2nccc2c1)c1cccc(C(F)(F)F)c1 217953975 FKARDYJQQNGWEN-UHFFFAOYSA-N 305.259 3.605 0 40 DHAB Fc1ccc(CCCNC(=S)Nc2cccnc2Cl)cc1 223967634 WMESTRMBFBULTH-UHFFFAOYSA-N 323.824 3.793 0 40 DHAB Cc1cccc(CSCCNC(=O)Cc2cccs2)c1 224637318 JQARRHKYMSQGBP-UHFFFAOYSA-N 305.468 3.649 0 40 DHAB COc1cccc(O[C@@H](Cc2ccc(C(C)C)cc2)C(=O)O)c1 225046096 JMEPYQBUYULPIE-SFHVURJKSA-N 314.381 3.893 0 40 DHAB CNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225189520 IYEBZCLOLNRHLA-UHFFFAOYSA-N 309.847 3.802 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)NCC1CCCCC1 225203394 FNXLXRBBIUHIGO-UHFFFAOYSA-N 301.430 3.641 0 40 DHAB COc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1 225439098 VDIOXYWLUZEFDF-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)OC[C@]43C)[C@@H]1CC[C@@]2(C)O 253476158 QSLJIVKCVHQPLV-CRYRVXFVSA-N 306.446 3.543 0 40 DHAB O=C(/C=C/c1cccs1)NCc1ccc(-c2ccoc2)nc1 390830300 KBQNMRJUPUAGLA-GQCTYLIASA-N 310.378 3.733 0 40 DHAB CCCc1sc(NC(C)=O)nc1-c1cc(OC)cc(OC)c1 408836429 RBHWQDHJJZMYLP-UHFFFAOYSA-N 320.414 3.738 0 40 DHAB CCN(CC)[C@@H]1CCN(c2nc(-c3ccccc3F)cs2)C1 549142933 ABYAYLAVNAWLMC-CYBMUJFWSA-N 319.449 3.870 0 40 DHAB COCC[C@@H]1CN(Cc2ccc(C)s2)Cc2cccn2C1 585094660 RVEOTJGUXUKPEF-OAHLLOKOSA-N 304.459 3.527 0 40 DHAB CNC1CCC(Cc2cccc(Nc3ncc(C)s3)n2)CC1 585263107 KQJOQBRIAFLJJP-UHFFFAOYSA-N 316.474 3.911 0 40 DHAB Cc1ccccc1O[C@@H]1CCC[C@H](NC2CCCCCC2)[C@H]1O 585288963 LTZGVDFECUWYTD-DFQSSKMNSA-N 317.473 3.968 0 40 DHAB CC(C)/C=C/C(=O)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056224578 WCMOZEWOOFHGPQ-ZJFJRDRASA-N 318.505 3.559 0 40 DHAB OC1(c2ccc(Cl)cc2)CCN(c2ccncc2Cl)CC1 2086939615 QDJHOOWJPWSLPD-UHFFFAOYSA-N 323.223 3.876 0 40 DHAB CC1CCN(Cn2nc(-c3ccc(F)cc3)oc2=S)CC1 111443 MQJVFKGXYQNNPD-UHFFFAOYSA-N 307.394 3.701 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 313402 JJBRVXJJPOMGPI-HNNXBMFYSA-N 318.417 3.641 0 40 DHAB CCN(C(=O)C1CCC1)c1nnc(-c2cccc(C)c2)s1 1345409 OGFFHNUBLVLBAR-UHFFFAOYSA-N 301.415 3.667 0 40 DHAB Cc1cccc(OCC(=O)Nc2nc3ccc(F)cc3s2)c1 1839798 UKTDUUWFBOEGLM-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB Cc1nn(Cc2c(F)cccc2Cl)c(=O)c2ccccc12 3263730 ACRJCKUUJWCUNO-UHFFFAOYSA-N 302.736 3.546 0 40 DHAB COc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 3548156 YCEIKRLBRHMFQD-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB CCCC(C)(C)NC(=O)CCCCC(=O)NC(C)(C)CCC 4388898 LGEJEQJNRAYNCY-UHFFFAOYSA-N 312.498 3.937 0 40 DHAB c1ccc([C@H]2C[C@@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744880 CPGHRHMJQUGJTA-KGLIPLIRSA-N 306.321 3.736 0 40 DHAB COc1ccc2c(c1)-c1cc(OC)ccc1C2(O)c1ccccc1 4900474 WYCNKQRDRZCJIQ-UHFFFAOYSA-N 318.372 3.968 0 40 DHAB Cc1ccc2cc(CN(C(=O)C(C)(C)C)C(C)C)c(=O)[nH]c2c1 5164963 SQRUUCJEDFJMTL-UHFFFAOYSA-N 314.429 3.620 0 40 DHAB Cc1ccccc1/C=C1\SC(=O)N(c2cccc(O)c2)C1=O 5376151 MXRUMIRRJZKREY-DHDCSXOGSA-N 311.362 3.942 0 40 DHAB C/C=C/C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5462903 WWZFWUFJQZTZIV-MOESHBJCSA-N 313.328 3.625 0 40 DHAB COc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 5558406 HUKGQPRXXBUVFG-UHFFFAOYSA-N 309.287 3.895 0 40 DHAB O=C1CSC2=NC3=C(CCC3)[C@H](c3ccc(Cl)cc3)N12 5570098 PBELVVXHQTXPEM-AWEZNQCLSA-N 304.802 3.764 0 40 DHAB Cc1cc(C)c2oc(C(=O)Nc3ccccc3F)cc(=O)c2c1 6811317 SXDUMHGPESUIQN-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB CCc1cccc(C)c1NC(=O)COC(=O)CC1CCCC1 7108270 PYACWVGIWRAYGM-UHFFFAOYSA-N 303.402 3.619 0 40 DHAB c1ccc(-c2cnc(COc3ccc(-c4nnco4)cc3)o2)cc1 7393521 JNRNAAHYDSPGHA-UHFFFAOYSA-N 319.320 3.971 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Nc2ccccc2OC)cc1 8265393 UJRZHDHJNFAULQ-GFCCVEGCSA-N 300.358 3.587 0 40 DHAB Cc1ccc(F)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 8745792 CPMSPLREDCWFKY-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB CCNc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccco1)C2 9936381 NTLZOPSPOQTPNE-CYBMUJFWSA-N 321.380 3.810 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)o1 9953863 SFFLNGZEMXXUNA-UHFFFAOYSA-N 312.369 3.513 0 40 DHAB COc1cc(C(=O)O)cc(Cl)c1OCc1cccc(C)c1 11957710 ZRNIYEIAFLNTMW-UHFFFAOYSA-N 306.745 3.934 0 40 DHAB CCn1c(CNc2n[nH]c3nc(C)cc(C)c23)nc2ccccc21 12115903 XWYOUHXXJJPQEH-UHFFFAOYSA-N 320.400 3.556 0 40 DHAB CCn1/c(=N\C(=O)c2ccco2)sc2cc(Cl)ccc21 12180827 ZJEFDRSZPHLSCA-JQIJEIRASA-N 306.774 3.710 0 40 DHAB CC(C)(C)c1cc(=O)n2ncc(-c3ccccc3Cl)c2[nH]1 12421723 LDCUGIAWEYKQFC-UHFFFAOYSA-N 301.777 3.641 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2cc(F)ccc2F)c1 12682953 SDLVPPMQRXMIKE-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB CCOc1ccccc1NC(=S)NCc1ccc(F)cc1 13792255 XJHUXGFPXQIAMT-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB COc1ccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)cc1 13932639 XTKIDSHPOMYJHD-GFCCVEGCSA-N 316.426 3.751 0 40 DHAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NC1CCCC1 15634178 YSBFJJFMDLBAFA-VMPITWQZSA-N 303.789 3.731 0 40 DHAB CCc1ccc([C@@H](NC(=O)c2c(C)noc2C)C(C)C)cc1 17371200 MSBLVUYPCWVIAC-KRWDZBQOSA-N 300.402 3.981 0 40 DHAB Clc1cc2c(c3ncccc13)OCN(Cc1cccnc1)C2 19863914 NDLZODPSOTWAHC-UHFFFAOYSA-N 311.772 3.635 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2nsnc2c1 21596134 IXSVZOIMIDTTIZ-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB CNc1nc(SCC(=O)c2ccccc2)nc2ccccc12 23270525 LWLVCAXBMPMIMR-UHFFFAOYSA-N 309.394 3.647 0 40 DHAB C[C@@H](NC(=O)CN1CCCc2cccc(F)c21)c1cccs1 25510720 FMLLSUHCYGPIMR-GFCCVEGCSA-N 318.417 3.517 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(Br)c[nH]1 25615308 MPJGKUJJOQRYGA-JTQLQIEISA-N 307.191 3.610 0 40 DHAB CCc1cccc(CC)c1NC(=O)CSc1c(C)n[nH]c1C 27756569 XQBWIFAFKQMCTC-UHFFFAOYSA-N 317.458 3.882 0 40 DHAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)[C@H]1CCCO1 27901457 SJQYTODHNILQKC-QMTHXVAHSA-N 316.228 3.610 0 40 DHAB CN(Cc1nccn1C(F)F)C(=O)c1ccc2ccccc2c1 31151727 RSVBKGIOQNQWQY-UHFFFAOYSA-N 315.323 3.704 0 40 DHAB CN(C)[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 32755354 GSFSTPBMDAZBRL-PMACEKPBSA-N 322.452 3.526 0 40 DHAB Cc1cc(NC(=O)CC[C@@H]2CCCO2)ccc1Br 32815806 MLNKTIVWYPVMTD-LBPRGKRZSA-N 312.207 3.655 0 40 DHAB C[C@H](NC(=O)NCc1cccnc1)c1ccc2ccccc2c1 32841248 VECDYSKGVKJNFS-AWEZNQCLSA-N 305.381 3.795 0 40 DHAB Clc1snnc1CN1CCC(Cc2ccccc2)CC1 35164191 QKYZHNVIDDOYDI-UHFFFAOYSA-N 307.850 3.646 0 40 DHAB CCCn1c(=O)cc(Nc2ccc(C(=O)O)cc2)c2ccccc21 35995384 FDOSZCZSMFFXPX-UHFFFAOYSA-N 322.364 3.853 0 40 DHAB COc1cccc(-c2noc(CNc3ccc(C)cc3F)n2)c1 40009428 PYQDMTXXOWOFCB-UHFFFAOYSA-N 313.332 3.805 0 40 DHAB CC[C@H](C)C(=O)NCCc1ccc(OCc2ccccc2)cc1 40122129 YGBFOWIIFCRTKU-INIZCTEOSA-N 311.425 3.970 0 40 DHAB CCOC(=O)CCCCCCC(=O)c1ccc(N(C)C)cc1 43214358 ROVQFTVFFKMQNF-UHFFFAOYSA-N 305.418 3.839 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1 59267358 VVTXQHYVNNERJE-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1 67056807 IOXJOAVHNSSCJK-MSOLQXFVSA-N 319.420 3.593 0 40 DHAB CC[C@@H](C)Sc1ccc(NC(=O)N2CCC[C@H](O)C2)c(C)c1 69536104 HZAUUKCMCMROQA-KGLIPLIRSA-N 322.474 3.874 0 40 DHAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2cccs2)c1 71909994 DSMVSBMUXKCVFF-JTQLQIEISA-N 320.439 3.826 0 40 DHAB CN(C)c1cccc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)c1 71910584 SDDMHWHXTSOOGX-VYENPZKTSA-N 321.424 3.525 0 40 DHAB C[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(OC2CCCC2)CC1 79040056 RRVIUTSZSUFNAX-YJBOKZPZSA-N 323.477 3.532 0 40 DHAB Cc1nc2ccc(NC(=O)NCc3nc(C)c(C)s3)cc2o1 84062613 DXHUEAMXTZJKGH-UHFFFAOYSA-N 316.386 3.531 0 40 DHAB CCCCOCC(=O)N1CCCC[C@@H]1CCc1ccccc1 89954806 LHRDYQKEISLLCQ-GOSISDBHSA-N 303.446 3.817 0 40 DHAB CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@H](CO)C3)o2)c1 95989173 VUSSWYPOVFVXNF-AWEZNQCLSA-N 313.397 3.524 0 40 DHAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1cccc2ccccc12 96120713 QVNNHQAHTKCMDC-UHFFFAOYSA-N 320.396 3.565 0 40 DHAB c1csc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 107751964 JHDIDDVJHZMBTB-ROUUACIJSA-N 321.486 3.546 0 40 DHAB COCc1nc(C)c(-c2nc(-c3ccc(F)c(C)c3)no2)s1 136376746 TXYBTNKEWVKIOH-UHFFFAOYSA-N 319.361 3.762 0 40 DHAB N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 195544194 WTHPQIOYMMPMPY-QZTJIDSGSA-N 312.388 3.579 0 40 DHAB Cc1c(C(N)=O)c2ccccc2n1Cc1ccc(F)cc1Cl 216948296 WYNFEQPXYDLMQW-UHFFFAOYSA-N 316.763 3.889 0 40 DHAB Cc1c(CO)c2ccccc2n1C(=O)c1cccc(OC(C)C)c1 216956744 NAKCUNNWCQBNAN-UHFFFAOYSA-N 323.392 3.918 0 40 DHAB COc1ccccc1NC(=O)NCCSC1CCCCC1 225766172 HEOWZNODOQTDNS-UHFFFAOYSA-N 308.447 3.883 0 40 DHAB Cc1ccc(C)c(NC(=O)c2cc3cccc(C)c3oc2=O)c1 226034429 FPSRMBOEUVBUKM-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB NC(=S)C[C@@H](Cc1nc2ccccc2s1)C(F)(F)F 256052388 NDBWMWFFLJPXEE-ZETCQYMHSA-N 304.362 3.694 0 40 DHAB c1ccc(CO[C@H]2C[C@@H]3CN(Cc4cncs4)C[C@@H]3C2)cc1 257271644 MZEDIZXGGFTODM-FVQHAEBGSA-N 314.454 3.570 0 40 DHAB CC(C)(C)c1nc2cc(NC(=O)N3CC[C@@H]3C(F)F)ccc2o1 585086472 JTDDVFSRXJZQEM-LLVKDONJSA-N 323.343 3.997 0 40 DHAB FCc1c(Br)cccc1I 1504206465 IDRDTXBZKLRFIH-UHFFFAOYSA-N 314.923 3.523 0 40 DHAB O=C(O)CCCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 857571 IIJUBVWFHJOKHS-UHFFFAOYSA-N 324.336 3.688 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(F)cc2)cc1 1260942 CTVRFGGMXWPOFK-GOSISDBHSA-N 321.355 3.915 0 40 DHAB O=C1O[C@@H](CC(=O)c2ccccc2Cl)C(Cl)=C1Cl 1624110 JEUZGICJQYCREJ-VIFPVBQESA-N 305.544 3.527 0 40 DHAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1F 1934257 GBBFDDAMQCEZND-UHFFFAOYSA-N 315.344 3.745 0 40 DHAB Cc1cc(C)n2nc(NCc3c(Cl)cccc3Cl)nc2n1 2215689 GDOKFHMYMNZUDH-UHFFFAOYSA-N 322.199 3.660 0 40 DHAB Cc1cnc(NC(=O)c2ccc(OC(F)(F)F)cc2)s1 2639546 IVTAEPWQBCIWBX-UHFFFAOYSA-N 302.277 3.602 0 40 DHAB CC(C)c1ccccc1NC(=S)NCCCNC(C)(C)C 3414960 XWZVXJVOOGBRMN-UHFFFAOYSA-N 307.507 3.875 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)c(C)c1 3442455 JTLWOQGWXDSTLU-KRWDZBQOSA-N 315.438 3.659 0 40 DHAB c1ccc(Nc2nnc(SC[C@H]3CCCCO3)s2)cc1 3532144 DLZGEUYROQVMJV-GFCCVEGCSA-N 307.444 3.943 0 40 DHAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCCCC1 3571845 CAPXMAURRVTFBM-SNVBAGLBSA-N 301.217 3.806 0 40 DHAB COc1ccc(NC(=O)COc2c(C)cccc2C)cc1Cl 3606924 PDZJSERVVBAPPQ-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB Cc1cc(Nc2cccc(C(=O)O)c2)c2cc(C(=O)O)ccc2n1 4226496 FYHDAURALABWTH-UHFFFAOYSA-N 322.320 3.683 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CSc1ccccc1N 4708517 JITDPFPDSSFJOT-UHFFFAOYSA-N 306.818 3.961 0 40 DHAB CCCOc1ccc(N2C(=O)C/C(=C\c3ccccc3)C2=O)cc1 4956231 HEQBUYWBFJMCDO-DTQAZKPQSA-N 321.376 3.822 0 40 DHAB O=S(=O)(NCCC1=CCCCC1)c1ccc(F)c(Cl)c1 5120637 KQVIEXPQBQTXEN-UHFFFAOYSA-N 317.813 3.648 0 40 DHAB COc1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)nn1 5259544 WQNWAKSCDOSZBC-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB C[C@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(N)=O 5263333 FKFMGJKZYSTHBL-ZDUSSCGKSA-N 323.421 3.505 0 40 DHAB COc1ccc(C(=O)O)cc1NC(=O)Nc1ccc(Cl)cc1 6170654 ULYMXVBLCBTDAI-UHFFFAOYSA-N 320.732 3.691 0 40 DHAB CCCCS(=O)(=O)Nc1cccc(Nc2ccccc2)c1 6502312 FMKPBTREDYIFBM-UHFFFAOYSA-N 304.415 3.972 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Nc1ccc(F)cc1F 6938490 JYYBWZALOFOSGE-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB CC(C)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 7055726 RUHYEXDSIURVFY-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB Cc1ccc(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1 8190471 WTIIFZOWCILCKZ-UHFFFAOYSA-N 309.409 3.891 0 40 DHAB Cc1csc(NC(=O)c2cc3c(nc4sccn43)s2)n1 9156750 DYBMSMJZFUXCAJ-UHFFFAOYSA-N 320.424 3.628 0 40 DHAB C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccc1 9467630 ITTHKZHBMWXSBG-ZIAGYGMSSA-N 307.397 3.934 0 40 DHAB Cc1ccc2c(c1)CNC[C@@]1(CCCN(Cc3ccccc3)C1)O2 12122995 CLTJTUMRSISCCL-OAQYLSRUSA-N 322.452 3.512 0 40 DHAB Clc1cccc(-c2cc3nccc([C@@H]4CCCNC4)n3n2)c1 12154366 HOKZETJYGJCZNO-CYBMUJFWSA-N 312.804 3.517 0 40 DHAB COc1cccc(CNC(=O)Nc2nc3ccccc3s2)c1 12735891 YUWMXCKIFUUENA-UHFFFAOYSA-N 313.382 3.627 0 40 DHAB CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccs2)cc1 12904640 GYBCNCONPPRHPF-AAEUAGOBSA-N 317.410 3.595 0 40 DHAB Cc1ccc(C2(CNC(=O)C3CCCCC3)CCOCC2)cc1 16970489 NBFYOOIBIKDTOW-UHFFFAOYSA-N 315.457 3.740 0 40 DHAB Cc1cc(C)c2cc(C)c(SCCN3CCOCC3)nc2c1 20151157 IKECPNSWAFLABF-UHFFFAOYSA-N 316.470 3.584 0 40 DHAB C[C@H]1CNc2ccccc2N(Cc2ccc(Cl)cc2)C1=O 21793422 MPBIKFGCPVQWFM-LBPRGKRZSA-N 300.789 3.935 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc(C)cc2C)cc1OC 21912887 SEVYQDPBVITWAD-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB Cc1cccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)n1 22967312 VXUZNQXURYQWPC-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccsc1 25119358 UYYPDGDWTNZTOO-UHFFFAOYSA-N 320.757 3.809 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(C(C)C)s1 27663492 HCFUOLZVBPVUBP-LBPRGKRZSA-N 323.393 3.597 0 40 DHAB CCCC[C@@H](CC)c1nnc(NC(=O)c2cnn(CC)c2)s1 28227221 HSOBOGWPKWABSN-LLVKDONJSA-N 321.450 3.691 0 40 DHAB Cc1cc(NC(=O)NC2CCCCC2)n(-c2ccc(F)cc2)n1 28304860 QFZCJWWYKNGOTB-UHFFFAOYSA-N 316.380 3.774 0 40 DHAB Cc1nc(C)c(C(=O)N(C)[C@H]2CCCc3ccccc32)s1 29259360 SHRHDMNKGIHOMH-HNNXBMFYSA-N 300.427 3.910 0 40 DHAB Cc1noc(C)c1CSc1nc(/C=C/c2cccs2)n[nH]1 32888453 LRTTYFXQMFIOTB-AATRIKPKSA-N 318.427 3.934 0 40 DHAB O=C(NCc1csc(Br)c1)c1cccc(F)c1 32923015 BNUKOQMMTWVQPR-UHFFFAOYSA-N 314.179 3.580 0 40 DHAB CN(C(=O)c1csc(Br)c1)C1CCCCC1 35222241 XJEXVEXXDBFHFM-UHFFFAOYSA-N 302.237 3.915 0 40 DHAB COc1cccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1 36760882 SLAOEANXRGQHQW-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB CC(C)(C)n1nc(C(=O)NCCc2cccs2)cc1C1CC1 40134957 GVWCTFMAEDKRIH-UHFFFAOYSA-N 317.458 3.550 0 40 DHAB CCCS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl 40566658 XKXZHTAZHUFVDY-UHFFFAOYSA-N 303.594 3.765 0 40 DHAB in-vitro CC(C)(C)CC(C)(C)NC(=O)c1cncc(Br)c1 42208343 NBAZSNDZZRDBGG-UHFFFAOYSA-N 313.239 3.789 0 40 DHAB Brc1cccc(Oc2cnc3ccccc3n2)n1 43220384 JCOMMMPDWJVTJO-UHFFFAOYSA-N 302.131 3.580 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1O 44894122 OSYNWWUJTWWXCJ-SNVBAGLBSA-N 324.302 3.605 0 40 DHAB CCCNC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 45740836 MFBZLZGHCNQXKU-XJKSGUPXSA-N 317.433 3.527 0 40 DHAB COc1ccccc1NC(=O)N[C@@H](C)COc1ccccc1C 56516260 QRQANOGYUYUBCW-AWEZNQCLSA-N 314.385 3.593 0 40 DHAB O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc2c(c1)OCO2 62545534 KSUOIGYXPBRQMU-UHFFFAOYSA-N 318.332 3.730 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(Cn3ccnc3C)cc2)o1 66624512 CNIWRKKKDVJCJR-UHFFFAOYSA-N 309.369 3.648 0 40 DHAB Cc1nnc([C@@H](C)Sc2nnc(-c3ccccc3Cl)o2)o1 69581590 CTJGLKBMUINLOZ-SSDOTTSWSA-N 322.777 3.935 0 40 DHAB CCCc1cc(=O)oc2cc(O[C@H](C)c3nc(C)no3)ccc12 69708716 ZYGMHPQHFYRANO-SNVBAGLBSA-N 314.341 3.577 0 40 DHAB CCCN1CCc2c([nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 72341981 PULLSOCTIGASQE-HXUWFJFHSA-N 321.424 3.929 0 40 DHAB Cc1nc(C)c(CCNC(=O)c2oc3ccccc3c2C)s1 78713608 QULNEYJGJWYQQT-UHFFFAOYSA-N 314.410 3.787 0 40 DHAB CN(C(=O)Nc1nncs1)C1c2ccccc2-c2ccccc21 78991711 KNNVVDQAZUBRDV-UHFFFAOYSA-N 322.393 3.772 0 40 DHAB CCc1ocnc1C(=O)N1CC(C)(C)Sc2ccccc21 79071487 ALSUCFRZVRLZKX-UHFFFAOYSA-N 302.399 3.768 0 40 DHAB Cc1ccccc1C(=O)c1ccccc1CN1CCSCC1 85651622 ITYXTWGNQCPSFQ-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB Cc1nccn1CCCNCc1ccc(Cl)c2cccnc12 95415414 UXMNMHOLHFQLPM-UHFFFAOYSA-N 314.820 3.573 0 40 DHAB Cc1c(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc2cncn12 95465663 CINMXEWCXBGVJK-QGZVFWFLSA-N 323.396 3.993 0 40 DHAB OC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F 95616869 PRQQUQLCNCIJTF-UHFFFAOYSA-N 323.030 3.761 0 40 DHAB CO[C@H](C)CCOC(=O)c1cc(C)cc(C)c1Br 95943912 WBLMBHHETAPQQY-LLVKDONJSA-N 315.207 3.648 0 40 DHAB CC1=C(C)C[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2C1 100937371 BMKKJOCEEVKJAN-VXGBXAGGSA-N 323.314 3.941 0 40 DHAB C[C@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)C[C@H](C)O1 101449326 OVLKUSWBFCKOFN-DTSAXDPHSA-N 305.462 3.619 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102194169 SIRDUEBANVXGRZ-INSJMTBZSA-N 301.430 3.785 0 40 DHAB Cc1cnccc1NC(=O)Nc1cc(CC2CCCCC2)n[nH]1 192288768 XJQJSUMAWVXROE-UHFFFAOYSA-N 313.405 3.880 0 40 DHAB Nc1cc(-n2cccc2C(=O)C(F)(F)F)cc(C(F)(F)F)c1 199735526 NJWNVNZJROKSGO-UHFFFAOYSA-N 322.208 3.823 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1C[C@@H](C)C[C@@H](C)C1 217797788 ZDGOODLOJPYYCM-IYBDPMFKSA-N 319.445 3.645 0 40 DHAB Cc1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1Cl 222563652 XRUIFIOMVAZBMC-UHFFFAOYSA-N 301.777 3.877 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COCC(C)C 224733999 UFCJKRFHPBYFTD-AWEZNQCLSA-N 307.434 3.786 0 40 DHAB Cc1ccsc1CCC(=O)c1ccc(N2CCOCC2)cc1 228923666 OEZGBLCGZUQCEV-UHFFFAOYSA-N 315.438 3.709 0 40 DHAB O=C(NCCc1ccc(F)c(F)c1F)C1CCC(F)(F)CC1 544149484 HFGJBXAQDMXSHN-UHFFFAOYSA-N 321.289 3.588 0 40 DHAB CC(C)(C)C[C@H]1CCN(C(=O)c2cnc(O)c3ccccc23)C1 569313232 NRNPMDHCZJRGGT-CYBMUJFWSA-N 312.413 3.839 0 40 DHAB Cc1cccc2c1[C@H](C)C[C@@H]2Cc1nc(-c2ncccn2)no1 582451747 YDXQPTBPICVILL-CHWSQXEVSA-N 306.369 3.669 0 40 DHAB CC(C)CN1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 585100249 IWIAODLQJSTYHU-FQEVSTJZSA-N 314.473 3.690 0 40 DHAB CO[C@H]1CCC[C@@H](Sc2nnc(-c3cccs3)n2C)C1 585118912 HRRBEFLXJPALDW-WDEREUQCSA-N 309.460 3.593 0 40 DHAB CCc1oc2cc(O)ccc2c(=O)c1-c1nc2ccccc2n1C 44622 YHYDMJJKEPQMTC-UHFFFAOYSA-N 320.348 3.615 0 40 DHAB biogenic CC(C)(Oc1ccc(Cl)cc1)C(=O)n1nnc2ccccc21 197291 SIJCITRZVXKUSQ-UHFFFAOYSA-N 315.760 3.583 0 40 DHAB COc1ccc(CCNC(=N)[C@H](C)c2ccccc2)cc1OC 502500 HIOYAHWBPJRPHG-CQSZACIVSA-N 312.413 3.617 0 40 DHAB CCOc1ccc(OCc2ccc(C(=O)NC(C)(C)C)o2)cc1 800750 HCAYDEBXAFFBPA-UHFFFAOYSA-N 317.385 3.786 0 40 DHAB COc1cccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c1OC 817656 KSMQNCRMIJZCAK-LJQANCHMSA-N 321.380 3.848 0 40 DHAB CCC(=O)Nc1c(-c2ccccc2)c(=O)c2ccccc2n1C 2241483 WYPVXZHHKZQXEI-UHFFFAOYSA-N 306.365 3.554 0 40 DHAB COc1cccc(C(=O)c2ccc(CN3CCCCC3)cc2)c1 2514494 CKCGOLNRBBRDOO-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB CCOC(=O)CCCCCC(=O)c1cccc(CN2CCC2)c1 2515155 VPCTYBGJJPQUKV-UHFFFAOYSA-N 317.429 3.589 0 40 DHAB CCCOc1cc(/C=C2/SC(=S)N=C2O)ccc1OC 2536819 KRQBSGYQYSWNTR-XYOKQWHBSA-N 309.412 3.813 0 40 DHAB CN(C)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 3349232 JJFAALDVPCMGFY-UHFFFAOYSA-N 304.777 3.632 0 40 DHAB CC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1 3479646 ZCCPBSMQFHOJOV-UHFFFAOYSA-N 311.381 3.995 0 40 DHAB COc1ccccc1CN(C)C(=O)c1cc(C)nc2ccccc12 6937736 AOTWAADTNUGVGH-UHFFFAOYSA-N 320.392 3.824 0 40 DHAB COc1ccc2oc(C(=O)Nc3ccc(N(C)C)cc3)cc2c1 6949104 IHBPCKHNJPXEDF-UHFFFAOYSA-N 310.353 3.760 0 40 DHAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 7254605 AYQGGNCZVCYWNL-UHFFFAOYSA-N 312.756 3.883 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1 7308063 KZBYKFUAPZQZEF-CQSZACIVSA-N 315.438 3.605 0 40 DHAB Cc1cc(CSc2nnc3c(Cl)cc(Cl)cn23)no1 7936535 OWADQFLEGWLAAR-UHFFFAOYSA-N 315.185 3.625 0 40 DHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc(F)c1 7945009 HUIXYLCVVJGGAX-MDZDMXLPSA-N 307.328 3.663 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 8122738 BBMMIUSETVJDSV-HNNXBMFYSA-N 318.417 3.641 0 40 DHAB C[C@@H](O)CNc1ncnc2scc(-c3ccc(Cl)cc3)c12 8177625 DGIIGHRWCNIMCT-SECBINFHSA-N 319.817 3.804 0 40 DHAB CCSc1ccccc1C(=O)NCCc1ccc(OC)cc1 8493688 NHNSKJUNVWKCIE-UHFFFAOYSA-N 315.438 3.780 0 40 DHAB O=c1c2c(oc3ccccc13)C(O)=N[C@H]2c1ccc(Cl)cc1 9088452 RMUGJQWMJVSRKT-AWEZNQCLSA-N 311.724 3.854 0 40 DHAB O=C(NCCCOc1ccccc1F)c1ccccc1Cl 9500790 TWZLZRPLGUTQOV-UHFFFAOYSA-N 307.752 3.678 0 40 DHAB Cc1cccc(OCCCNC(=O)c2ccc(C)c(F)c2)c1 12397864 YIRUOHQLYIYNOH-UHFFFAOYSA-N 301.361 3.641 0 40 DHAB Oc1ccccc1N1CCN(Cc2ccc(F)cc2Cl)CC1 12537790 NTAIKKDEVSFHOE-UHFFFAOYSA-N 320.795 3.507 0 40 DHAB CCC(CC)c1nnc(NC(=O)c2n[nH]c3ccccc23)s1 12742320 RGVYNONRJHNIJO-UHFFFAOYSA-N 315.402 3.570 0 40 DHAB CC1CCC(NC(=O)c2cc(F)ccc2Br)CC1 12973960 IWRFMOVFLKPRMA-UHFFFAOYSA-N 314.198 3.897 0 40 DHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccccc1F 13009633 YVGWGJAPFDQCLS-CQSZACIVSA-N 305.349 3.932 0 40 DHAB Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)c(Cl)c1 13322873 FKICJSSRXWHDKY-UHFFFAOYSA-N 321.852 3.741 0 40 DHAB CCCn1c(C)cc(C(=O)CSc2nnc(C(C)C)[nH]2)c1C 14162245 YTLFGBKVNQSVAT-UHFFFAOYSA-N 320.462 3.731 0 40 DHAB Cc1nc2cc(NC(=O)/C=C/c3ccc4c(c3)CCO4)ccc2o1 14171682 OKKZIUWRRRTMJU-XVNBXDOJSA-N 320.348 3.723 0 40 DHAB COc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1 19926881 NIZBKIAHTHMFFG-MRXNPFEDSA-N 303.358 3.613 0 40 DHAB CC(C)c1noc2ncc(C(=O)N(C)C3CCCCC3)cc12 21298747 KJGKHZVWYVLCEY-UHFFFAOYSA-N 301.390 3.751 0 40 DHAB Cc1ccc(-c2nc(NC(C)(C)CO)nc3ccccc23)cc1 23042550 MOFRMTKYVDIIGM-UHFFFAOYSA-N 307.397 3.788 0 40 DHAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc2c(c1)OCO2 27692545 XLSOOOUUYWPEOA-VIFPVBQESA-N 321.735 3.699 0 40 DHAB O=C(Nc1ccc(F)cc1F)c1ccn(-c2ccc(F)cc2)n1 31547947 UXFRUBBIHQNAEL-UHFFFAOYSA-N 317.270 3.542 0 40 DHAB O=C(NCCSCc1cccs1)NCCc1ccccc1 32802065 ALOZWRNKKWDKBI-UHFFFAOYSA-N 320.483 3.523 0 40 DHAB COc1ccc([C@@H](NC(=O)c2ccoc2)c2ccccc2)cc1 32841629 CYNIDAIXXLHOIS-SFHVURJKSA-N 307.349 3.808 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)NCCc1ccccc1F 32924175 QMEXETGQINDWKU-UHFFFAOYSA-N 306.406 3.687 0 40 DHAB c1ccc(-c2nc(CNCCc3cccs3)cs2)nc1 35054537 ASQMCUJNSQVWNH-UHFFFAOYSA-N 301.440 3.599 0 40 DHAB CC(C)(Nc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 35622217 QRPCWLFXQSYYCC-UHFFFAOYSA-N 313.792 3.663 0 40 DHAB CC(C)Cc1nnc2n1N1C(=CS[C@@H]1c1ccccc1)S2 35655284 HXZIHQVDMPYQPV-CQSZACIVSA-N 316.455 3.765 0 40 DHAB COc1ccc(-c2cc(Nc3ccc4c(c3)OCO4)ncn2)cc1 36708975 WDLPSOOFWLFNMV-UHFFFAOYSA-N 321.336 3.625 0 40 DHAB O=C(CCOC[C@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 40107352 DMKCSJMFKJQYKB-LLVKDONJSA-N 318.200 3.518 0 40 DHAB Cc1ccccc1NCCC(=O)Nc1cccc2ncccc12 40160288 GTJATKKBHGANSU-UHFFFAOYSA-N 305.381 3.984 0 40 DHAB O=C(c1cccnc1Nc1cccc(F)c1)N1CCCCCC1 44819064 JTSNQARAVVNJBL-UHFFFAOYSA-N 313.376 3.981 0 40 DHAB Cc1ocnc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 48302854 TXEUNBUINBZTKK-UHFFFAOYSA-N 321.308 3.637 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)Nc1cccc(OC)c1)n2C 49728943 QNGHHDMGARWZQO-UHFFFAOYSA-N 324.380 3.838 0 40 DHAB COc1ccc(SCc2csc(-c3ncccn3)n2)cc1 53526693 IWZGBSBYEIODOB-UHFFFAOYSA-N 315.423 3.901 0 40 DHAB OCc1ccccc1-c1nn(-c2ccccc2)c2c1CCCC2 57348492 LYVOBIXOWLWBLR-UHFFFAOYSA-N 304.393 3.910 0 40 DHAB C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 57413201 GMZYVXRSPFGBTE-NSHDSACASA-N 303.793 3.602 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 58344894 XXJSACNKMNFEQH-PKOBYXMFSA-N 324.424 3.898 0 40 DHAB Cc1cc(NC(=O)c2sc3ccccc3c2C)ccc1C(N)=O 65531798 VIAUIYDHSIRPRN-UHFFFAOYSA-N 324.405 3.869 0 40 DHAB CCCC[C@H](CC)CNC(=N)NCCc1ccc(OC)cc1 69704333 RSFNVIBYGARWDG-HNNXBMFYSA-N 305.466 3.568 0 40 DHAB C[C@@H]1C[C@H]1C(=O)N(C)[C@@H](c1cccnc1)c1ccc(F)cc1F 69846275 HRSYMBFRVYVCBA-JGFGOQIWSA-N 316.351 3.564 0 40 DHAB O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCCCCC1 72243387 WKPATXCWUZMUAA-UHFFFAOYSA-N 311.307 3.598 0 40 DHAB O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc[nH]1 72286101 GQYVTIQEGYOXOW-QHCPKHFHSA-N 324.405 3.575 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)n1)[C@@H]1CCOc2ccccc21 76804561 SSGWDCMCLQAORX-LLVKDONJSA-N 322.286 3.605 0 40 DHAB Cc1cccc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)n1 79493915 VXNMZLMIQWKANS-UHFFFAOYSA-N 310.397 3.675 0 40 DHAB COc1cc(F)c(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1F 89420803 ANFYUCZNGVZKMP-QMTHXVAHSA-N 310.344 3.770 0 40 DHAB O=C(c1cc(C2CC2)on1)N1CC[C@@H]1c1ccc(Cl)cc1 89783403 CXNUSROCFWLERA-CQSZACIVSA-N 302.761 3.793 0 40 DHAB C[C@@H](NCCc1nccn1Cc1ccccc1)c1cccs1 89910205 LWMPEVUMCXGNIA-OAHLLOKOSA-N 311.454 3.886 0 40 DHAB CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 95402462 SWYSHFYEMCJEEY-DOXZYTNZSA-N 316.489 3.892 0 40 DHAB CC(C)C[C@H](NC[C@@](C)(O)c1cccs1)c1ccccn1 95422977 PWHSZVALJYDNOB-DOTOQJQBSA-N 304.459 3.728 0 40 DHAB Cn1ccnc1CNc1cccc(COc2cccc(F)c2)c1 95428726 DYCFBBSEGGVZPH-UHFFFAOYSA-N 311.360 3.750 0 40 DHAB CC(C)[C@@H](C(=O)N[C@@H](C)c1cncc(F)c1)c1ccccc1 95993595 WRMVHAAOTIKPJT-SUMWQHHRSA-N 300.377 3.838 0 40 DHAB COc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)oc2n1 96194168 VYNVARRTTQSCAP-UHFFFAOYSA-N 316.744 3.611 0 40 DHAB Cn1cc(CNCc2cccnc2)c(-c2cc3ccccc3o2)n1 97159733 YKQXNTIUFYDOQQ-UHFFFAOYSA-N 318.380 3.518 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](C(=O)O)[C@@H]2C[C@H](O)c1ccccc1 100363957 DYCAJMGMLIVAOG-CUGJGTHOSA-N 302.414 3.883 0 40 DHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 100492211 AWJQHUSRHUQUAI-KDURUIRLSA-N 317.388 3.937 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4ccc(Cl)cc4)C[C@@H]1CC[C@]23C 100776545 SDMJHDVEKJYDPV-UQCMEYCASA-N 305.805 3.874 0 40 DHAB COc1ccccc1C(=O)NCc1cncc(-c2ccsc2)c1 206942555 BBHMJYMJDIKPPW-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB CCOc1ccc(CCCNC(=O)Cc2ccc(C)cc2)cc1 219274033 FGSOEWXLWHBGCH-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB Cc1cc(N2CCNCC2)c2cc(Oc3ccccc3)ccc2n1 225322075 QTXDVOIXAVHWNU-UHFFFAOYSA-N 319.408 3.745 0 40 DHAB CCOc1ccc(C(=O)Nc2c(Cl)cc(N)cc2OC)cc1 227147262 PBRYEEDWPTWXJC-UHFFFAOYSA-N 320.776 3.582 0 40 DHAB O=C(Oc1ccccc1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390830326 KEWYJDURYMRFOI-GJZGRUSLSA-N 324.380 3.655 0 40 DHAB OC1(c2ccc(Cl)cc2)CCN(c2ccc(Cl)cn2)CC1 2086939607 DQWNBSCFHURDSZ-UHFFFAOYSA-N 323.223 3.876 0 40 DHAB CCn1c(SCC(=O)c2ccc(F)cc2)nnc1C(C)C 416681 QYSFKQGYEAIBIU-UHFFFAOYSA-N 307.394 3.536 0 40 DHAB COc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 516106 ZSQSNLXZSLKVBY-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB O=C(O)Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 1573341 FBDLAZNBUYBADZ-UHFFFAOYSA-N 308.362 3.843 0 40 DHAB Cc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 1617358 KEMSPLZRXSXMQA-UHFFFAOYSA-N 324.405 3.663 0 40 DHAB CCn1ncc(C(=O)Nc2ccc(C)cc2Br)c1C 2763746 AZDAXOPXAQRVTJ-UHFFFAOYSA-N 322.206 3.535 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)O)nn1-c1ccc(F)cc1 3201843 NGXMOYFGFNYMJV-KPZWWZAWSA-N 314.360 3.885 0 40 DHAB S=C(Nc1cccnc1)Nc1ccccc1N1CCCCC1 3350706 QZFYIWWQCJZHBC-UHFFFAOYSA-N 312.442 3.881 0 40 DHAB Cc1cc(C)cc(OC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 4820291 MVORXRJQBSRDPV-MOPGFXCFSA-N 300.398 3.994 0 40 DHAB CCc1cc(=O)[nH]c(SCc2ccc(C(F)(F)F)cc2)n1 5155033 CKDAXGQHNYIEMU-UHFFFAOYSA-N 314.332 3.643 0 40 DHAB Cc1cccc(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 5440722 SFOVXGZRPXVSHN-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB O=C(CCc1ccccc1)Nc1cccc(N2CCCCC2=O)c1 5441642 WFVGUCPQTKFELG-UHFFFAOYSA-N 322.408 3.775 0 40 DHAB O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccccn1 5937006 LVRMKHYCQNNXPC-BQYQJAHWSA-N 307.180 3.718 0 40 DHAB Cc1ccc(F)c(NC(=O)COC(=O)c2ccccc2Cl)c1 5962206 PUJKVLVIKZYQRY-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB COc1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 7609899 TYQAUCISRQICAD-UHFFFAOYSA-N 324.405 4.000 0 40 DHAB Cc1ccc(OCCNC(=O)c2cccc(C(F)(F)F)c2)cc1 7842513 DOYDOUXVXZTZLN-UHFFFAOYSA-N 323.314 3.823 0 40 DHAB COCc1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn12 8392385 XVJOUTQIWVMGDN-UHFFFAOYSA-N 322.393 3.666 0 40 DHAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](C(F)(F)F)C1 10286834 KJDTWGGCPPLOIM-LBPRGKRZSA-N 308.303 3.649 0 40 DHAB CC[C@H](Sc1nc(C(C)C)n[nH]1)C(=O)Nc1ccc(F)cc1 10532471 IEGVZVNBEPPBBG-LBPRGKRZSA-N 322.409 3.577 0 40 DHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2nc(C)cs2)c1 10555694 UQBUWQWFQJQJKM-UHFFFAOYSA-N 302.399 3.670 0 40 DHAB CCCNC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 12144851 ZUHIPYWTEZBHMV-HNNXBMFYSA-N 302.418 3.922 0 40 DHAB O=C(NCCc1ccc(F)cc1)c1cc2ccccc2cc1O 12786170 CPOFAZUZAKZFPU-UHFFFAOYSA-N 309.340 3.657 0 40 DHAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(F)cc1)C=CO2 15838756 TVHYHBHZVCGNPT-UHFFFAOYSA-N 311.312 3.763 0 40 DHAB N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1cccs1 17054813 ZTSUZLPCIMCKDA-UHFFFAOYSA-N 318.785 3.557 0 40 DHAB Cc1nc(-c2ccccc2)ccc1C(=O)NCCc1ccco1 17910435 OUDQPFVCDUQRCI-UHFFFAOYSA-N 306.365 3.623 0 40 DHAB Cc1nc(N[C@@H](C)c2ccccn2)cc(-c2cc(C(C)C)n[nH]2)n1 19655713 OPAWROHATSIXIB-LBPRGKRZSA-N 322.416 3.867 0 40 DHAB Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 19736298 OUSROFSVKAESDI-LLVKDONJSA-N 304.777 3.637 0 40 DHAB CCC(CC)NC(=O)c1cnc(SC)n1-c1ccccc1 20675183 UCJUDHPFIJFEEO-UHFFFAOYSA-N 303.431 3.513 0 40 DHAB CC(C)CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 23055023 URZZXMZNBVDSOV-UHFFFAOYSA-N 302.422 3.521 0 40 DHAB CC(C)CCC[C@@H](C)NC(=O)CCc1nc2ccccc2[nH]1 25345147 CNHOKNPGIAUNCY-CQSZACIVSA-N 301.434 3.827 0 40 DHAB CN(C(=O)Cc1noc2ccccc12)[C@H]1CCc2ccccc21 27823393 FSIMQRNZRKUNJV-KRWDZBQOSA-N 306.365 3.516 0 40 DHAB Cc1ccccc1Cn1cc(NC(=O)CCc2ccccc2)cn1 28231368 URFBPRBVEARUEN-UHFFFAOYSA-N 319.408 3.811 0 40 DHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nncc2ccccc12 32754624 RADZIIATEMDKMQ-STQMWFEESA-N 315.442 3.511 0 40 DHAB COc1cccc(/C=C2\C(=O)N(C)c3ccccc32)c1OC(C)C 33471345 BSMXEBDHABSVAB-VBKFSLOCSA-N 323.392 3.999 0 40 DHAB NC(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127605 QAHGWDCLISZZFF-UHFFFAOYSA-N 321.163 3.829 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 48273969 DUAXXSFURMFPNA-DLBZAZTESA-N 310.441 3.933 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)CCO1 48521565 JTGDWKAGBSLMJH-VIFPVBQESA-N 320.336 3.551 0 40 DHAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccco4)C3)o2)cc1 49169917 WDROMRXKPJEXPW-HNNXBMFYSA-N 309.369 3.628 0 40 DHAB biogenic,in-vitro Cc1cc(NCCCNc2ccccc2)nc(-c2cccnc2)n1 58341845 WNLYCXURNZKWQZ-UHFFFAOYSA-N 319.412 3.761 0 40 DHAB O[C@H](Cc1ccccc1Cl)c1ccc(Br)o1 62137306 MQKOKWKYMCCCLW-SNVBAGLBSA-N 301.567 3.972 0 40 DHAB in-vitro CCn1c(C)cc(C(=O)N[C@@H](C)c2sc(C)nc2C)c1C 65554346 FREOUYAJSOTERS-NSHDSACASA-N 305.447 3.689 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)c1 69532707 MPRFANJLKRVJFT-UHFFFAOYSA-N 323.440 3.753 0 40 DHAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1cccs1 71280368 SJIHNABMKCTHCO-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB CCO[C@@H](C)c1nc(CC(=O)OC[C@H]2CC=CCC2)cs1 71910041 ORNKNGHWVQPNGO-STQMWFEESA-N 309.431 3.683 0 40 DHAB CN(Cc1cc(F)cc2cccnc12)[C@@H](CCO)c1ccccc1 72773177 GUVJOHOAEPVRAY-IBGZPJMESA-N 324.399 3.929 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1c(F)cccc1F 78700587 VNMDGTBXNUSBCV-ZDUSSCGKSA-N 309.287 3.900 0 40 DHAB Cc1noc(C)c1CN1CC[C@H](OCCCc2ccccc2)C1 79502651 WARUNTAAGKKNGY-SFHVURJKSA-N 314.429 3.515 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NC[C@@H](C)c2c(C)noc2C)c1 90762852 ZVSACHBDANCMJU-VXGBXAGGSA-N 315.417 3.704 0 40 DHAB COCCSCC(=O)Nc1cccc(Nc2ccccc2)c1 95397196 KKVDFOMKRFWKFK-UHFFFAOYSA-N 316.426 3.748 0 40 DHAB Clc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1Cl 95459516 WPYXOBZUBNQDCK-GFCCVEGCSA-N 316.228 3.769 0 40 DHAB CCOc1cccc([C@@H]2CC(c3cccs3)=NN2C(C)=O)c1 97105891 YBXMZQZBESCRIV-INIZCTEOSA-N 314.410 3.844 0 40 DHAB Cc1nnc2n1CCC[C@H]2NCc1ccc(SC(F)F)cc1 97237712 CMBZDNKIIHVKHV-CYBMUJFWSA-N 324.400 3.526 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc2ncccc2c1 100189221 FVUGIGVESJLLPW-OXQOHEQNSA-N 316.408 3.595 0 40 DHAB O=C(Cc1ccsc1)NCc1ccnc(-c2ccsc2)c1 225756827 XKGWEZUXEUPHCD-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB O=C(CCc1ccc(F)cc1)NCCSC1CCCCC1 225769688 BXWMSJDGCJUNTL-UHFFFAOYSA-N 309.450 3.940 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cn1 225912872 ULOMNICOQHKRDT-SFHVURJKSA-N 320.433 3.794 0 40 DHAB Cc1c[nH]c(-c2cncc([C@@H]3CCCN3Cc3ccccc3)n2)n1 257224621 FCPAKRRUOKFJPD-SFHVURJKSA-N 319.412 3.512 0 40 DHAB Fc1ccccc1CN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 257313510 USWQNEPQEGHABZ-MRXNPFEDSA-N 323.371 3.865 0 40 DHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3)S2)cc1 408775113 ODFJBWGYLQRJBL-XSVZSIDJSA-N 310.422 3.849 0 40 DHAB CCOc1ccc(C(=O)NCc2cncc(-c3ccco3)c2)cc1 575414337 CYCAGIUYZLKLMT-UHFFFAOYSA-N 322.364 3.670 0 40 DHAB C[C@@H](C1CC1)n1cc(NC(=O)N[C@@H]2CCc3ccccc3C2)cn1 681781947 RBKJVEKYISBOCV-SUMWQHHRSA-N 324.428 3.533 0 40 DHAB CCOc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 38171 GPEFVBWQQBDXEM-ZWKOTPCHSA-N 320.396 3.823 0 40 DHAB Cc1cc(C)c2[nH]cc(-c3nnnn3-c3ccc(F)cc3)c2c1 340672 YAQRWHNYGCPAAL-UHFFFAOYSA-N 307.332 3.567 0 40 DHAB CCc1ccccc1OCC(=O)Nc1cccc2ncccc12 3405560 OMMUKOAXRRJYMB-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB CC1=CC[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 4691358 IXVJAVXCXHVDAV-MNOVXSKESA-N 310.180 3.839 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2C1 4696149 GHQSHPSEXIYIMO-UHFFFAOYSA-N 318.376 3.849 0 40 DHAB CCCCC(=O)Nc1cnc(NC(=O)c2cccs2)cc1C 4931085 BXYHZHZUXDVMDU-UHFFFAOYSA-N 317.414 3.833 0 40 DHAB CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 5579095 XPWTVFAVHOTZIJ-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1 6852941 CQOSJBKEMYGNBZ-ABAIWWIYSA-N 304.777 3.584 0 40 DHAB O=C(CSCc1ccccc1F)Nc1c(F)cccc1F 7736576 PKLRVFZJMXJYEF-UHFFFAOYSA-N 311.328 3.976 0 40 DHAB CCc1nnc(NC(=O)c2cc3cc(Cl)ccc3o2)s1 7807867 BTFRUIPPOLADPO-UHFFFAOYSA-N 307.762 3.752 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2cccs2)c1 8987253 PRPUGFLMFGSLMT-LBPRGKRZSA-N 319.426 3.575 0 40 DHAB Cc1c(C)n(Cc2ccccn2)c2ncnc(NCC(C)C)c12 8993189 IBIBMYPGHMRDED-UHFFFAOYSA-N 309.417 3.559 0 40 DHAB CC(C)CCOc1cccc(OCC(=O)Nc2ccncc2)c1 12512156 DSDCOHBWUUJUSR-UHFFFAOYSA-N 314.385 3.524 0 40 DHAB CCOC(=O)Nc1c(-c2cccs2)nc2c(C)cccn12 26687793 VHKBURYDUJPFDZ-UHFFFAOYSA-N 301.371 3.940 0 40 DHAB CC(C)OCc1ccccc1CNC(=O)/C=C/c1ccccc1 30370557 XALNFZFDPYSMED-OUKQBFOZSA-N 309.409 3.941 0 40 DHAB O=C(Cc1cccs1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32101916 JNGOLWSYZYRJES-UHFFFAOYSA-N 310.422 3.963 0 40 DHAB C[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 32765551 SZQADIPGYOGFQF-AWEZNQCLSA-N 309.413 3.622 0 40 DHAB CC(C)(C)OC(=O)NCc1cccc2ccc(C(=O)O)cc12 34361010 BNKZUUVLCJHIJI-UHFFFAOYSA-N 301.342 3.563 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1cccc(Oc2cnccn2)c1 40074581 JOPASBHPMNMZAK-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB CC/C=C(\C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 40108495 CPTKIQZHXMITBB-JXDHDYMSSA-N 310.235 3.853 0 40 DHAB CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2ccncc2)s1 43009829 UIKDVFVMEMNWDJ-AWEZNQCLSA-N 315.442 3.776 0 40 DHAB C[C@@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C)CO1 45785423 PCFUGRKZPXMCKH-VXGBXAGGSA-N 306.793 3.604 0 40 DHAB CC1CCN(c2c(N)cc(Cl)c(N)c2Br)CC1 45891332 HNHREKRFFSIKDP-UHFFFAOYSA-N 318.646 3.503 0 40 DHAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H](C)C2)c1 48258467 QAYSBZQXAUFRHD-LBPRGKRZSA-N 303.406 3.607 0 40 DHAB Cc1ccccc1CC(=O)NCc1cccc(COC(C)C)c1 48364263 MABWSGBVYCZWKZ-UHFFFAOYSA-N 311.425 3.779 0 40 DHAB COc1c(C)cnc(CNC(=O)Nc2ccc(Cl)cc2)c1C 51234705 PKVTUAFECVFFKD-UHFFFAOYSA-N 319.792 3.682 0 40 DHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 57561395 BJLIVGNDPFUOSX-SFHVURJKSA-N 308.381 3.704 0 40 DHAB CCn1ncc2ccc(NC(=O)NC[C@H](C)c3ccccc3)cc21 58299473 SSYBWGSZCIITTQ-AWEZNQCLSA-N 322.412 3.981 0 40 DHAB COCCc1noc(CS[C@@H](C)c2ccccc2Cl)n1 69705609 HXEZXWHVCBRAAM-JTQLQIEISA-N 312.822 3.906 0 40 DHAB O=c1c(Cl)c(-c2cn(Cc3ccccc3)c3ccccc23)c1=O 70631888 MTEFXYREOLYSKL-UHFFFAOYSA-N 321.763 3.606 0 40 DHAB Cn1ccc2ccc(C(=O)Nc3cccc4c3ccn4C)cc21 70666282 IXMUPWNOCRUKKG-UHFFFAOYSA-N 303.365 3.922 0 40 DHAB biogenic O[C@@H](CNc1ncccc1C(F)(F)F)c1ccc(Cl)cc1 71887904 MYZQSNPPORDSQB-LBPRGKRZSA-N 316.710 3.899 0 40 DHAB CO[C@H](C(=O)NC[C@H](c1ccccc1)C(C)C)c1ccccc1 71916893 OVYCNDQWCINQOO-OALUTQOASA-N 311.425 3.930 0 40 DHAB O=C(c1cccs1)N1CCC(c2onc3c2CCCC3)CC1 72392438 BOSJJOKOVDKQSU-UHFFFAOYSA-N 316.426 3.635 0 40 DHAB O=C(Nc1cccc(-c2nccs2)c1)N[C@H]1CCCSC1 79014499 AVGKVPNUFUKNOM-ZDUSSCGKSA-N 319.455 3.827 0 40 DHAB CO[C@@H](C)c1scc(Br)c1Br 85390807 XEHCAAVEVFKSRL-BYPYZUCNSA-N 300.015 3.981 0 40 DHAB CCn1cc(NC(=O)CC2(n3cccc3)CCCCC2)c(C)n1 95479926 PAOBWMPYWYPNBV-UHFFFAOYSA-N 314.433 3.701 0 40 DHAB Cc1cccc([C@@H](C)Nc2ccccc2S(C)(=O)=O)c1C 95960594 WYNUDDOLPPLLSP-CQSZACIVSA-N 303.427 3.880 0 40 DHAB C[C@H](NC[C@@]1(C)CCCS1)c1cccc(N2CCOC2=O)c1 95969316 DXRGLGVREAZBFF-SUMWQHHRSA-N 320.458 3.580 0 40 DHAB C[C@@H]1OCC[C@@H]1C(=O)N(c1cccc2cccnc12)C1CCC1 95983287 OYHFCSFEJARONG-BBRMVZONSA-N 310.397 3.545 0 40 DHAB O=C(OC1(C2CC2)CC1)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 96013443 FGDXCTFBFWRPJT-OAHLLOKOSA-N 322.408 3.598 0 40 DHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccccc1 96221663 LAHDQCQHNXEAQX-GOSISDBHSA-N 320.392 3.984 0 40 DHAB biogenic Cc1noc(C)c1CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 96224269 SDZMDCDLQGPTAL-QGZVFWFLSA-N 323.396 3.509 0 40 DHAB COc1cccc(-n2cnnc2S[C@H](C)c2ccncc2)c1 96409761 MRFDNHBGKTVBHT-GFCCVEGCSA-N 312.398 3.524 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 103249486 YEVVSXREWCKLQT-ZQDZILKHSA-N 321.848 3.968 0 40 DHAB CCOC(=O)c1ccc(Nc2ccc(OCC)cc2)c(N)c1 149991865 QWFKYRPJNWQRKP-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB CCOc1cccc(CNC(=O)c2ccccc2OC(C)C)c1 219741491 HNULXUNFRBHJDS-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1cccs1 225248411 UOJOIFYEUXNUIS-MDWZMJQESA-N 306.412 3.541 0 40 DHAB COCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1OC 225400022 RGWYYARDWAFEFI-UHFFFAOYSA-N 321.760 3.726 0 40 DHAB CC(C)(C)n1nccc1NC(=O)c1cc(F)cc2cccnc12 225449672 WXZMQHRRQHRTCT-UHFFFAOYSA-N 312.348 3.578 0 40 DHAB CCOC(=O)c1cccc(NC(=S)NC(CC)CC)c1C 225801320 WCKORJGQGIYVHJ-UHFFFAOYSA-N 308.447 3.647 0 40 DHAB O=C(NCCCc1cnoc1)c1ccc(-c2cccs2)cc1 244970192 HNPFUSBAEPOBKP-UHFFFAOYSA-N 312.394 3.766 0 40 DHAB C[C@@H]1C[C@H]1c1noc(-c2c[nH]nc2-c2cccc(Cl)c2)n1 571297018 FUFBQEHASAZLEA-LDYMZIIASA-N 300.749 3.904 0 40 DHAB Nc1nc(Cl)cnc1Sc1ccnc(Cl)c1Cl 584628268 HZPXLWKOUGQKQA-UHFFFAOYSA-N 307.593 3.565 0 40 DHAB CC(=O)Nc1c(C)cc(N)cc1OCc1ccccc1Cl 585655919 UHNFWXRJBCNLOQ-UHFFFAOYSA-N 304.777 3.768 0 40 DHAB O=C(/C=C/c1ccco1)NCCc1ccc(-c2ccco2)s1 2086896826 LKDUCRXJLKHJPB-VMPITWQZSA-N 313.378 3.973 0 40 DHAB Cc1cc2n(C/C=C/c3ccccc3)c(=O)c3ccccc3n2n1 1395029 CQNYPEFEDLYAEE-JXMROGBWSA-N 315.376 3.671 0 40 DHAB CC(C)N1C[C@H](CCO)C(c2ccccc2)(c2ccccc2)C1 1569147 XZTJWVOZRVENMA-FQEVSTJZSA-N 309.453 3.695 0 40 DHAB O=C(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl 1733716 IEPBPSSCIZTJIF-UHFFFAOYSA-N 324.802 3.880 0 40 DHAB in-man CCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OC 2889587 QJTPKKRIDQEUDO-UHFFFAOYSA-N 319.382 3.559 0 40 DHAB COc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2)cc1 3311449 LBGKVRWHFOIOJM-JXMROGBWSA-N 301.773 3.678 0 40 DHAB Nc1nnc(SCc2cnc(-c3ccccc3)s2)s1 3339550 FMZQZVDBCZXGGN-UHFFFAOYSA-N 306.441 3.536 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1ccc(Cl)cc1 4836423 GOBAEUMTXHBTAR-XBXARRHUSA-N 316.740 3.825 0 40 DHAB C[C@@H](CN(C)C)CN1c2ccccc2CCc2cc(O)ccc21 5141710 FQJSSUOYVSEYPF-HNNXBMFYSA-N 310.441 3.827 0 40 DHAB in-vitro O=C(NCCn1ccc2ccccc21)Nc1c[nH]c2ccccc12 5265504 BQEBQGCVTCUSCY-UHFFFAOYSA-N 318.380 3.944 0 40 DHAB Fc1ccccc1NC(=S)NCCCOC1CCCCC1 7011057 VVJAUJZFWPTMBG-UHFFFAOYSA-N 310.438 3.852 0 40 DHAB Cc1cnc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cn1 7670817 HYDOZIGHSAFQNN-UHFFFAOYSA-N 320.377 3.800 0 40 DHAB COC(=O)[C@H](C)Sc1nc2ccccc2n1-c1ccccc1 7706541 HXIBDYGMEIVYNB-LBPRGKRZSA-N 312.394 3.679 0 40 DHAB O=C1C[C@H](c2cccnc2)Oc2ccc(Br)cc21 8993673 HPIKEKWGPKDJPK-CQSZACIVSA-N 304.143 3.551 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C)c(F)c1 9071102 MAJCOGGEORSZMB-UHFFFAOYSA-N 319.380 3.782 0 40 DHAB CN(C)c1cccc2c([C@@H](O)C(F)(F)F)ccc(N(C)C)c12 9097265 JASYAYWJFMJPHC-OAHLLOKOSA-N 312.335 3.568 0 40 DHAB CCC[C@@H](NCc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 10436139 DBENSXQUUYTFGK-QGZVFWFLSA-N 323.440 3.508 0 40 DHAB CCc1ccc([C@H](NC(=O)c2cnccn2)c2cccs2)cc1 10447656 YNHIGXFGXIEMST-KRWDZBQOSA-N 323.421 3.620 0 40 DHAB COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 11287313 WAIFQVRWOKIIDH-GYZOOYGHSA-N 320.392 3.788 0 40 DHAB COc1ccc(CN(C(=O)/C=C/c2ccc(C)o2)C2CC2)cc1 12811640 AKFJSWLODYBFBH-VAWYXSNFSA-N 311.381 3.801 0 40 DHAB Cc1nc(/C=C/C(=O)N(C)c2nc3ccccc3s2)cs1 12923931 BNJKWIKHQXSKQX-BQYQJAHWSA-N 315.423 3.737 0 40 DHAB CC(C)CC[C@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 14634511 PREPLKPNZDXOBT-ZDUSSCGKSA-N 317.458 3.689 0 40 DHAB C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 18208064 PCQGCTZCZUSYQM-NSHDSACASA-N 304.390 3.562 0 40 DHAB COc1ccc(C(=O)O)cc1NC(=O)c1cccc2ccccc12 20138903 PYUBUCGYPWIFGA-UHFFFAOYSA-N 321.332 3.799 0 40 DHAB COc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1Cl 20194181 WEXPZSBLWVFFCP-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CCc1nc(COC(=O)CCc2c[nH]c3ccccc23)cs1 21578188 WYTRUOLFDARQDM-UHFFFAOYSA-N 314.410 3.863 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1nc2ccccc2s1 22500822 BJYAJJLWTJKRFT-UHFFFAOYSA-N 321.405 3.750 0 40 DHAB Cc1ccc(F)cc1NC(=O)CN(C)[C@H]1CCc2ccccc21 29483649 UCCKUEUTYWLRJK-SFHVURJKSA-N 312.388 3.692 0 40 DHAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 30763278 YRMNVCMBJRKRDW-LJQANCHMSA-N 308.425 3.600 0 40 DHAB Cc1nc(-c2ccncc2)sc1C(=O)N(C)C1CCCCC1 31864805 XMCYVQIDOFLWBD-UHFFFAOYSA-N 315.442 3.918 0 40 DHAB C[C@@H]1CCc2sc(C(=O)N3CCOc4ccccc43)cc2C1 36763873 ODRSMEODUSSLEW-GFCCVEGCSA-N 313.422 3.912 0 40 DHAB O=C(NCC1(c2cccs2)CCOCC1)Oc1ccccc1 38593205 VWAVNRYAUGISPL-UHFFFAOYSA-N 317.410 3.585 0 40 DHAB Cc1ccc2oc(=O)n(Cc3coc(-c4cccc(F)c4)n3)c2c1 40156686 TUCCAHJEYMPWAO-UHFFFAOYSA-N 324.311 3.745 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Cl)c1 40946045 UDPZWXLOWXQSAF-NSHDSACASA-N 305.761 3.755 0 40 DHAB CC(=O)c1csc(NC(=O)CCCc2ccc(Cl)cc2)n1 44361193 XYMXWHGYNJUYEK-UHFFFAOYSA-N 322.817 3.961 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)N(C)Cc1cccc(F)c1 45035739 SWQFUNBOJYWBEH-ZDUSSCGKSA-N 304.365 3.581 0 40 DHAB COc1ccc([C@@H]2CCCCCN2C(=O)NCC2CC2)cc1 45459665 QXPYGGYUUMZNAT-KRWDZBQOSA-N 302.418 3.732 0 40 DHAB C[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 48150015 YNWLEBCGWLRQIU-HNNXBMFYSA-N 320.396 3.798 0 40 DHAB COc1cc([C@@H](C)NC(=O)C2CCC2)ccc1OC1CCCC1 48339873 LZJZORKDDBHKAI-CYBMUJFWSA-N 317.429 3.994 0 40 DHAB O=C(O)/C(=C/c1ccc(F)cc1)Sc1nc2ccccc2[nH]1 50547835 JXCXONNUPQLFPI-ZROIWOOFSA-N 314.341 3.920 0 40 DHAB Cc1ccc(CC(=O)Nc2ccccc2CN2CCCC2)s1 57211931 YOIOOQMYVMSPLG-UHFFFAOYSA-N 314.454 3.834 0 40 DHAB CCCCN[C@H]1C(C)=C(C)C(=O)N1[C@H](C)CCc1ccccc1 57270777 SSBLOYDKKYDGAY-DNVCBOLYSA-N 314.473 3.902 0 40 DHAB CCN(CC)CCN(CC(C)C)C(=O)c1ccc(Cl)cc1 58202231 SMRDGZALPHIGAI-UHFFFAOYSA-N 310.869 3.780 0 40 DHAB O=C(c1ccccc1)c1ccc(OCc2noc(C3CC3)n2)cc1 58248548 HVNNIZAZTFMAJG-UHFFFAOYSA-N 320.348 3.757 0 40 DHAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cccnc1 58305061 JUAMWUJUJGHYCK-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB CCc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c12 62710652 UVKFEMFPUKUSID-UHFFFAOYSA-N 302.717 3.804 0 40 DHAB Cc1cnn([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)c1 69454655 SEBKSEGUWPVJLG-OAHLLOKOSA-N 323.396 3.723 0 40 DHAB Cc1cc(C[S@](=O)Cc2csc(C3CCCCC3)n2)on1 71853923 ZFNBAKGEGFYQSA-NRFANRHFSA-N 324.471 3.936 0 40 DHAB CN(C)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1F 72034187 VOFUPQVCOUSJOJ-UHFFFAOYSA-N 315.373 3.754 0 40 DHAB CCn1nc(C)cc1C(=O)N1CC[C@H](C)Sc2ccccc21 72280607 NLGIWEOKQDZAJX-ZDUSSCGKSA-N 315.442 3.743 0 40 DHAB O=S(=O)(c1ccccc1)c1cnc2cc(F)ccc2c1Cl 72329789 GOJRQRYMEILKGJ-UHFFFAOYSA-N 321.760 3.860 0 40 DHAB Cc1nn(-c2ccc(NC(=O)CC(C)C)cn2)c(C)c1Cl 72404348 IVAXSUIPFYZWNZ-UHFFFAOYSA-N 306.797 3.522 0 40 DHAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1 72405624 VPCBIYWCEIJUJM-HNNXBMFYSA-N 323.352 3.657 0 40 DHAB Cc1ccc(C)c2c(C)c(C(=O)NC[C@@]3(C)CCCO3)oc12 75110806 JHLUXFPLQJTISC-GOSISDBHSA-N 301.386 3.657 0 40 DHAB COc1ccc(CCCNC(=O)c2cccc3cccnc23)cc1 78648318 MUMGUTFRISKWJD-UHFFFAOYSA-N 320.392 3.606 0 40 DHAB CCCc1nc(CNc2cc(C)ccc2NC(C)=O)cs1 79065989 FGMCDZSXPSHUAD-UHFFFAOYSA-N 303.431 3.975 0 40 DHAB Fc1ccc(C[C@@H]2CCCN2Cc2nccn2C(F)F)cc1 79485802 FTHYVNZFIABMLD-AWEZNQCLSA-N 309.335 3.624 0 40 DHAB Cn1nc(C2CCC2)cc1NC(=O)CCCc1cccs1 84303587 QRBIWNNRRLWCRR-UHFFFAOYSA-N 303.431 3.711 0 40 DHAB CSc1ccc(CN(C)C(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 93903681 GZFJKBHSKQISBT-STQMWFEESA-N 307.459 3.571 0 40 DHAB CC(C)C[C@H](NC[C@](C)(O)c1cccs1)c1ccccn1 95422975 PWHSZVALJYDNOB-RDJZCZTQSA-N 304.459 3.728 0 40 DHAB CO[C@H](C(=O)N(Cc1ccccc1)CC(F)F)c1ccccc1 95436754 PTQFJFRFLOGDLN-KRWDZBQOSA-N 319.351 3.668 0 40 DHAB Cc1ccc(/C=C/C(=O)O[C@@H](C)c2nc3ccccc3n2C)cn1 95997640 XPQPRXGZWMPDKJ-VNDWYCCKSA-N 321.380 3.594 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1ccccc1C(F)(F)F 106303798 HKGGFFKWHOVTAL-UHFFFAOYSA-N 320.314 3.660 0 40 DHAB COC(=O)c1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1F 181578510 DSHDLTAAROJTMV-SNVBAGLBSA-N 323.314 3.741 0 40 DHAB CCOC(C)(C)CNC(=O)Nc1ccc(-c2nccs2)cc1 187607554 XHOZHWVNHGIHGW-UHFFFAOYSA-N 319.430 3.747 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 225625392 CFJDTZBBKRKBKC-UHFFFAOYSA-N 323.392 3.994 0 40 DHAB COc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1Cl 225638730 DTJMZQMNMVEQBV-BDJLRTHQSA-N 311.809 3.882 0 40 DHAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(C)c(C)c3)cc2c1 226036387 GGIFVXDKTBWUNS-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)Nc1ccccc1 226851847 PLUSKUHXUWVXBS-OAHLLOKOSA-N 321.380 3.587 0 40 DHAB CN[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C(C)C)CC1 242687881 UZBZYGMPXCBOKP-QAQDUYKDSA-N 304.434 3.564 0 40 DHAB CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2ccccc21 408712985 FBYWADMUPUCZTJ-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB CC(C)[C@@H]1C[C@@H](NCc2ccc3c(c2)OCO3)C[C@H](C(C)C)O1 524735308 QFCSLHUPMINKGK-VBUUOAMHSA-N 319.445 3.733 0 40 DHAB CC1=C(O)N2C(=C(n3nc(C)cc3C)Nc3ccccc32)N=N1 1505840639 JXAXZCULGVKULJ-UHFFFAOYSA-N 308.345 3.728 0 40 DHAB O=C(c1ccc(Br)cc1)N1[C@H]2CC[C@H]1CC(F)C2 1775967850 DXCACWNAVRFXIO-STQMWFEESA-N 312.182 3.554 0 40 DHAB COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)c(OC)c1 780896 SSJAJVNOGKMGCK-UHFFFAOYSA-N 315.369 3.517 0 40 DHAB Nc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1384135 HKXCGMHNURGYQK-UHFFFAOYSA-N 318.405 3.977 0 40 DHAB Cc1cc(C)c(S(C)(=O)=O)c(Oc2cccc(Cl)c2)n1 1387814 GAFZOGDGPIRXOP-UHFFFAOYSA-N 311.790 3.548 0 40 DHAB CC(C)C(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 2137013 LWUOFXSPOADPFT-UHFFFAOYSA-N 314.410 3.948 0 40 DHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 2632268 DEQSLPVLUAONHE-QWHCGFSZSA-N 303.789 3.985 0 40 DHAB COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)c(OC)c1 3451026 QNFJHWXHWWQIDA-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB CCCOc1ccccc1NC(=O)COc1ccccc1F 3477279 BAZLVJGWXNGVFZ-UHFFFAOYSA-N 303.333 3.632 0 40 DHAB O[C@@](c1cccnc1)(c1cccs1)C(Cl)(Cl)Cl 3844305 FEWHNKCCYPQMRH-JTQLQIEISA-N 308.617 3.749 0 40 DHAB biogenic O=C(Nc1ccccc1F)c1cc2cc(Cl)ccc2oc1=O 4393795 QYTSNEYNOHYWMR-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl 4667099 AEXPCUOCUOTZML-CABZTGNLSA-N 322.257 3.850 0 40 DHAB CCC(CC)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 4694986 MTRFHMNEVQJTMH-UHFFFAOYSA-N 307.394 3.643 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 4815717 XUYICPGLULHFRR-UHFFFAOYSA-N 316.209 3.935 0 40 DHAB Cn1ccnc1SCC(=O)c1ccc(Cl)c(Cl)c1 4937207 IXWFYFZPZKYPHE-UHFFFAOYSA-N 301.198 3.702 0 40 DHAB CNC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C)c1C 5144999 LVMUPVKVQPKYSN-UHFFFAOYSA-N 322.817 3.630 0 40 DHAB O=C(O)CCCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 5568160 AUSHEGNEPUVUAF-UHFFFAOYSA-N 319.188 3.760 0 40 DHAB CCOC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 6046950 XMXXIQBTFNDQQU-SECBINFHSA-N 324.446 3.566 0 40 DHAB Cc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 7696791 VOAJNQAXMASOAV-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB Cc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)c1 8613179 QDXUQNAIKYASTJ-LJQANCHMSA-N 314.473 3.866 0 40 DHAB CC(C)N1CCC(Nc2ncnc3c2oc2ccccc23)CC1 9428768 FMPVQSNUSVVLIE-UHFFFAOYSA-N 310.401 3.661 0 40 DHAB CN(C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 9970724 JXMIXOSOCIMCNA-UIXUWTQFSA-N 323.521 3.843 0 40 DHAB CCCC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 12297027 ALYDDHMNLUGRBA-UHFFFAOYSA-N 321.218 3.615 0 40 DHAB biogenic COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1 12676659 VTEDKHOLAQXKLU-AUUYWEPGSA-N 324.424 3.763 0 40 DHAB Cc1cc(C)cc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 13002562 NPQNTSXFDMHSKZ-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB Fc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 13127442 IFONQRWGEAJRGE-HOTGVXAUSA-N 312.323 3.703 0 40 DHAB CCn1c(N)c(C(=O)Nc2ccc(C)c(C)c2)sc1=S 13547267 JRDSWJPIMDHQCS-UHFFFAOYSA-N 307.444 3.750 0 40 DHAB Cc1ccccc1-c1nc2cnccn2c1NCc1ccco1 13564793 UEPDFHZRYMZGCH-UHFFFAOYSA-N 304.353 3.910 0 40 DHAB CCc1cccc(CC)c1NC(=O)c1cc(=O)[nH]c2ccccc12 13930273 NBJVNSVLCHREQO-UHFFFAOYSA-N 320.392 3.905 0 40 DHAB O=C(NCc1ccccc1Cl)c1cc2cc(F)ccc2[nH]1 13957080 CCNQUJXGDHNLLI-UHFFFAOYSA-N 302.736 3.890 0 40 DHAB Oc1ccc(-c2csc(COc3ccc(F)cc3)n2)c(O)c1 14129515 JAMVGXIRAKVPAE-UHFFFAOYSA-N 317.341 3.939 0 40 DHAB Cc1ccc(-c2noc(COC(=O)c3cccc(F)c3)n2)cc1 15155883 IDWQNSRKDQNKII-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB CCc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccccc1 19812568 WKTHETXWLKDCIG-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB c1ccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 19927144 ODVVJXVYUJETBD-NRFANRHFSA-N 306.453 3.709 0 40 DHAB OC(CNCc1ccc(F)cc1)(c1ccccc1)c1ccccc1 20219104 ASJBAJQOLLOVIC-UHFFFAOYSA-N 321.395 3.851 0 40 DHAB O=C(NCc1cccs1)c1cc(Br)ccc1F 24023052 CYOJXXLFKGWEBK-UHFFFAOYSA-N 314.179 3.580 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(N3CCCC3)cn2)C1(C)C 25665964 NIUADVHLGSHPRS-RDJZCZTQSA-N 313.445 3.859 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCOc1cccc(Cl)c1 32863323 ATTBTYYOSHUGCQ-CJNGLKHVSA-N 324.852 3.939 0 40 DHAB CCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 32900336 WSJALICJVBFFEU-CQSZACIVSA-N 310.397 3.868 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CCSCc2csc(C)n2)o1 40519975 WBBPPJBMEDHBMT-LLVKDONJSA-N 324.471 3.854 0 40 DHAB CC[C@H](C)c1noc(C2CCN(C(=O)c3ccoc3C)CC2)n1 41122039 LGQPYKGUNPVPIX-NSHDSACASA-N 317.389 3.504 0 40 DHAB CC[C@@H](C)c1noc([C@H]2CCCCN2C(=O)C2CCCC2)n1 41123391 OZEMYEUYJLZZHN-TZMCWYRMSA-N 305.422 3.827 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 44106479 ICZCCWMCMNRIRH-IUODEOHRSA-N 303.406 3.735 0 40 DHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccoc2)c1 48250666 BMMGROFGAUJPKA-UHFFFAOYSA-N 321.764 3.603 0 40 DHAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)ccc1F 54138869 CNGZXKBSVZDYHL-QGZVFWFLSA-N 318.392 3.579 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc[nH]1 58065997 NNMHSHRZVWOTQY-GOSISDBHSA-N 307.397 3.792 0 40 DHAB O=C(O)c1cnc(/C=C/c2cc(Br)cs2)s1 58161763 JPNDASDZHUQXKA-OWOJBTEDSA-N 316.201 3.836 0 40 DHAB CC1(C)C=CN(c2ccc(OC(F)(F)F)cc2)C(=S)N1 59124573 ZSHCHNOTEVMGFZ-UHFFFAOYSA-N 302.321 3.572 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)c2cnc(C(C)(C)C)s2)on1 65458894 WXCMNCXPYLKKJO-LLVKDONJSA-N 319.430 3.714 0 40 DHAB CCN1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214514 ZDVKJQRKFCQYSR-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cnns1 72293438 ULLYRFFPDZAZTK-LBPRGKRZSA-N 301.415 3.542 0 40 DHAB Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 72331205 NNPDWKRJYCCBCG-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB O=C(c1cccc2cnccc12)N1CC[C@@H](c2ccccc2)C1 73056875 NEPDXGMECJTCFI-QGZVFWFLSA-N 302.377 3.865 0 40 DHAB Nc1ccc2c(c1)C=NCCN2C(=O)c1ccc2ccccc2c1 73642331 HFHFLZRCYUMXSP-UHFFFAOYSA-N 315.376 3.501 0 40 DHAB Cc1ncsc1CCSc1nnc(-c2cccs2)o1 73969907 WMNPPYOITKZKLW-UHFFFAOYSA-N 309.441 3.898 0 40 DHAB CC(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2n2ccnc2)c1 75092584 ISZWEHJFPYQBLI-IAGOWNOFSA-N 312.417 3.922 0 40 DHAB O=C(Nc1cccc(F)c1F)N[C@@H](CCCO)c1ccccc1 77694337 GFMFDMPHUQAEJH-AWEZNQCLSA-N 320.339 3.600 0 40 DHAB CCOc1ccc(-c2nc(-c3ccccc3F)n[nH]2)cc1OC 85384395 ZLPOQZWDLZNUGR-UHFFFAOYSA-N 313.332 3.685 0 40 DHAB O=C(NC[C@@H](O)c1ccsc1)c1c(Cl)cccc1Cl 89768018 YNUFRQRMOOAUQT-LLVKDONJSA-N 316.209 3.518 0 40 DHAB COc1ccccc1CN[C@H](C)c1c(Cl)nc2ccccn12 89904513 AQPLEKGHSCUSDX-GFCCVEGCSA-N 315.804 3.847 0 40 DHAB COc1c(Cl)cc(Br)cc1Br 90413260 ITCWWGPAZCJYMO-UHFFFAOYSA-N 300.377 3.874 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncc[nH]1 95467282 WEICOKMDHXRLGJ-GFCCVEGCSA-N 324.306 3.798 0 40 DHAB Cc1cccc(C(=O)N2CCSc3ccncc32)c1Cl 95974533 GEIAYXMGRFJMAS-UHFFFAOYSA-N 304.802 3.796 0 40 DHAB C[C@H](CCc1ccco1)Nc1ccc(N2CCOC2=O)cc1 95990973 QHKLTMQFJSHJLR-CYBMUJFWSA-N 300.358 3.669 0 40 DHAB Cc1cccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)n1 96159349 OOASWSDNMYANCO-UHFFFAOYSA-N 323.440 3.609 0 40 DHAB CCc1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)nc(C)n1 97002828 SNEIKQGOBJIVBN-QWRGUYRKSA-N 315.339 3.655 0 40 DHAB CCS[C@@H]1CC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 97009915 FNKUWKAHQFSFBK-YRCZHWOXSA-N 307.503 3.993 0 40 DHAB Cc1nc(C(=O)N2C[C@H](C)S[C@@H](C)C2)c(-c2ccccc2)o1 97376103 IFRAZDPICQUMFB-RYUDHWBXSA-N 316.426 3.616 0 40 DHAB Cc1noc(C)c1CCNCC1=Cc2cc(Cl)ccc2OC1 107321474 ZXTFQLSYVHWPSK-UHFFFAOYSA-N 318.804 3.553 0 40 DHAB CC(=O)NC1CCC(N[C@H]2C[C@@H]3CCCc4cccc2c43)CC1 195565177 QCSOGBZFFMJRGN-LOTPSLMQSA-N 312.457 3.588 0 40 DHAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccccc2)c1 223012048 MVEJSGVDFVOQCY-OAHLLOKOSA-N 311.425 3.895 0 40 DHAB CC(C)(C)c1ccccc1OCCNC(=O)Cc1ccccc1 223666227 QRHFWEKQAJARTE-UHFFFAOYSA-N 311.425 3.722 0 40 DHAB Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCC(C)CC1 226275632 KCBHLEAEAMVFCD-UHFFFAOYSA-N 314.351 3.756 0 40 DHAB Cc1cn(C)c([C@@H]2CCCN2Cc2ccc3ccccc3n2)n1 257318206 VMYPTLYXPSPYRP-SFHVURJKSA-N 306.413 3.614 0 40 DHAB Cc1c(Cl)cccc1NCc1ccccc1OCC(=O)O 409110918 AUBNZGPYULGMFH-UHFFFAOYSA-N 305.761 3.724 0 40 DHAB Cc1nc(NC(=O)N(C)Cc2ccc(Cl)s2)cs1 584908279 VNJCSGBRKXDBAL-UHFFFAOYSA-N 301.824 3.830 0 40 DHAB CC(C)(C)OC(=O)N1CCN(c2cccc3ccsc23)CC1 1857793744 CFBOMOUKQKIMMT-UHFFFAOYSA-N 318.442 3.958 0 40 DHAB Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)cc1 190326 PEOFFFKDZCRTRQ-UHFFFAOYSA-N 301.415 3.522 0 40 DHAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1 314275 LYQTUKQWQQASHQ-UHFFFAOYSA-N 305.378 3.977 0 40 DHAB COc1cc(OC)c(C(=O)Nc2c(C)cccc2C)cc1OC 365384 QHJCACYASQIRTM-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB CCN(CCOC(=O)Nc1ccccc1F)c1ccccc1 1752773 PHBHSKUOJRJBAN-UHFFFAOYSA-N 302.349 3.901 0 40 DHAB O=C(c1ccc(CN2CCC2)cc1)c1ccc(F)c(Cl)c1 2514628 VNCSTXNDYDISLN-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCc1cccc(Cl)c1 2632627 CENYHIJJNWKVEI-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB CCCOC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1 2740288 UQJYEQIZKNSRHF-UHFFFAOYSA-N 318.760 3.554 0 40 DHAB CCN(C(=O)CC(=O)N(CC)C1CCCCC1)C1CCCCC1 3276762 OXLFAZFQPQGKBQ-UHFFFAOYSA-N 322.493 3.739 0 40 DHAB Cc1ccc(CNC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3325872 LZRHAWFRXGOVTL-UHFFFAOYSA-N 316.404 3.962 0 40 DHAB CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CCCCC2 4611417 DWGDIBPQZBDPPM-UHFFFAOYSA-N 309.431 3.788 0 40 DHAB CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1 5552147 IIIYIFLBRRJKDC-RUDMXATFSA-N 313.378 3.789 0 40 DHAB CC(C)c1ccc2c(c1O)CC[C@@H]1C3=C(CC[C@@]21C)C(=O)OC3 6257190 KPXIBWGPZSPABK-XLIONFOSSA-N 312.409 3.983 0 40 DHAB biogenic C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@H]12 6469394 CXFWIKINSICEBC-JTXFXGIKSA-N 304.430 3.894 0 40 DHAB CCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O 6657327 FOEVUCTWYWSXCY-ACCUITESSA-N 320.414 3.716 0 40 DHAB CC(C)c1ccc(NC(=S)NCCCN2CCCC2)cc1 7026925 YDIKMTBVJSKALR-UHFFFAOYSA-N 305.491 3.582 0 40 DHAB O=C(CCc1ccccc1O)NCC12CC3CC(CC(C3)C1)C2 7472091 SRDXHQHESBDPJY-UHFFFAOYSA-N 313.441 3.657 0 40 DHAB CCc1ccc(NS(=O)(=O)c2cc(CC)ccc2OC)cc1 8132580 GZGNITBFIJBMDK-UHFFFAOYSA-N 319.426 3.621 0 40 DHAB CCOC(=O)N/C(=C/c1ccccn1)c1ccc(Cl)cc1 8652700 SNCOGJDIPQBWQF-RVDMUPIBSA-N 302.761 3.979 0 40 DHAB Fc1ccc(-n2ncc3c(NC4CCCCC4)ncnc32)cc1 8878536 AFNQCLQGRURLDE-UHFFFAOYSA-N 311.364 3.699 0 40 DHAB COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(OC)c1 9315300 FITHILFBFUBBOR-UONOGXRCSA-N 315.344 3.585 0 40 DHAB Oc1ccc(-c2csc(NCc3ccc(F)cc3)n2)c(O)c1 9604212 JQUGOQLXZMOBDX-UHFFFAOYSA-N 316.357 3.973 0 40 DHAB Oc1ccc(Br)cc1-c1cc(C(F)(F)F)no1 12428450 UBQSQNJMXJWLIJ-UHFFFAOYSA-N 308.053 3.829 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3cc(C)ccc3O)n[nH]2)c1 13121740 PNDIEANAPHWDPC-UHFFFAOYSA-N 307.353 3.651 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(C)cc2Cl)c(OC)c1 14125145 SDTLNSDUKOTPFH-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB CNc1nnc(SCc2c(C)cc(C)c(C(C)=O)c2C)s1 14198449 SHMRMQPXTAOWJU-UHFFFAOYSA-N 321.471 4.000 0 40 DHAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 15316412 XVFOXJIPHMHSHI-CQSZACIVSA-N 301.361 3.699 0 40 DHAB Cc1ccc(F)c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 15598700 DQVWUJMLGXGQPT-UHFFFAOYSA-N 312.344 3.735 0 40 DHAB c1ccc(-c2nnc([C@H]3CCCN3Cc3ccsc3)o2)nc1 19403391 VRXTXHAWAOSVCW-CQSZACIVSA-N 312.398 3.530 0 40 DHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccn1 20021856 ZKJZKCMYPGUYRD-UHFFFAOYSA-N 313.357 3.520 0 40 DHAB CCc1c(C(=O)N(C)c2ccccc2)cnn1-c1ccc(F)cc1 24482902 UGLDBTFWQMOVJX-UHFFFAOYSA-N 323.371 3.850 0 40 DHAB CC[C@@H](C)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24751451 VEXFCMPKPXUBCG-SECBINFHSA-N 310.369 3.997 0 40 DHAB Cc1cc(NC(=O)C2CCCCC2)n(-c2ccc(F)cc2)n1 28220018 JFVZDVHFAXCVLB-UHFFFAOYSA-N 301.365 3.839 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N[C@@H](c1ccccc1)C1CC1 31039298 SPKIJNUEAIFVLD-FQEVSTJZSA-N 319.408 3.763 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(OC(F)F)cc1 32764622 ZHWHVJKXKOVOQE-FBOQAHMBSA-N 307.296 3.772 0 40 DHAB CC(C)c1noc([C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)n1 40496513 JTPKRFBVSHJXRJ-SNVBAGLBSA-N 315.402 3.831 0 40 DHAB COC(=O)c1oc(CN2CCC[C@@H]2c2ccsc2)cc1C 46089417 DATIQHJEEMJPII-CQSZACIVSA-N 305.399 3.773 0 40 DHAB Cc1nnc(NC(=O)N[C@@H](C)c2ccccc2OC(C)C)s1 46649589 JBSXNRCDBWSLTO-JTQLQIEISA-N 320.418 3.516 0 40 DHAB CC(C)(C)c1n[nH]cc1CNCCc1c[nH]c2cc(F)ccc12 51189307 ICRZRLRLBMVKST-UHFFFAOYSA-N 314.408 3.660 0 40 DHAB CCOC(=O)N(C)c1ccc(Nc2cnc3ccccc3n2)cc1 53583769 IAOCBFRPMJIKJA-UHFFFAOYSA-N 322.368 3.966 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 55508399 WSJSNJMLFWPICH-ZDUSSCGKSA-N 321.417 3.569 0 40 DHAB Cc1cc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C(C)C)no1 57383490 QTKQUOXQYQCFEA-MRXNPFEDSA-N 321.808 3.562 0 40 DHAB O=C(NCc1cc2ccccc2[nH]1)N1CCC(n2cccc2)CC1 57646373 HMKFODSEQHENDW-UHFFFAOYSA-N 322.412 3.516 0 40 DHAB CCn1c(CSc2nncn2C(C)C)nc2cc(F)ccc21 66256117 UJDDUILIVMTLRB-UHFFFAOYSA-N 319.409 3.660 0 40 DHAB CCC(C)(C)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 71908763 PSAXNNCDJKAVTL-IBGZPJMESA-N 301.839 3.593 0 40 DHAB CSC[C@@H](C)N(C)CC(=O)Nc1ccc(C(C)(C)C)cc1 72290430 PJDFEXPZRKBGED-CYBMUJFWSA-N 308.491 3.606 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)sc1C 72297536 AIDDGBCHELOXGZ-LLVKDONJSA-N 323.849 3.761 0 40 DHAB Cc1ccsc1CNCCNc1ccc(C(F)(F)F)cn1 75109933 HGRLZSNFOBBLNB-UHFFFAOYSA-N 315.364 3.672 0 40 DHAB Cc1cc(C)c(CN[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1C 76057651 XBYCEBRGVQNPMY-PKOBYXMFSA-N 316.489 3.594 0 40 DHAB CC(C)[C@@H]1CCCN1C(=O)Cc1coc(-c2cccs2)n1 78557399 POKRKQOFMRAYAD-ZDUSSCGKSA-N 304.415 3.593 0 40 DHAB C[C@H](CNC(=O)N[C@H](c1nccs1)C1CC1)c1cccs1 78942374 NADPLPGPGFFUIC-MFKMUULPSA-N 321.471 3.759 0 40 DHAB O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc(Cl)o1 81367071 MEYBLEGRHVWBEL-UHFFFAOYSA-N 323.751 3.508 0 40 DHAB O[C@@H](CN(Cc1ccccc1)Cc1ccncc1)c1cccs1 84535732 VSYDUZCZOGGNND-SFHVURJKSA-N 324.449 3.879 0 40 DHAB CCN(C(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(F)c1 89759598 AJRKWFOYTBZVHE-ZDUSSCGKSA-N 320.389 3.800 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)C2=C(Cl)CCC2)c1 89904585 XXBNEULWIVVBHS-SNVBAGLBSA-N 309.793 3.558 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N[C@@H]2C=CCCC2)c(Cl)c1 95411752 JVSUTRGTEOOFTQ-LLVKDONJSA-N 307.781 3.529 0 40 DHAB CC[C@@H](C)[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1Cl 95459375 JQTVAIJKYXKXIO-NXEZZACHSA-N 303.233 3.956 0 40 DHAB Cc1csc(N(C(=O)c2cnc(C)nc2C)c2ccccc2)n1 95464199 KODXQYUJJXHYRR-UHFFFAOYSA-N 324.409 3.837 0 40 DHAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCC1 95962062 PJKRVEOWNZHAFV-UHFFFAOYSA-N 303.793 3.507 0 40 DHAB COc1cccc([C@H]2C[C@@H]2C(=O)NC(C)(C)C2CCCC2)c1 95978724 IMXGDNFUYVYFJJ-SJORKVTESA-N 301.430 3.884 0 40 DHAB O=C(NCc1ccccn1)Nc1cccc(Oc2ccccn2)c1 96435614 IQFNYOPCHMRKNA-UHFFFAOYSA-N 320.352 3.591 0 40 DHAB CCc1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)nc(C)n1 97002830 SNEIKQGOBJIVBN-WDEREUQCSA-N 315.339 3.655 0 40 DHAB C[C@@H]1CN(C(=O)Nc2nnc(C(F)F)s2)[C@H]1c1ccccc1 97099283 ALGIQCILEWPGCL-PSASIEDQSA-N 324.356 3.701 0 40 DHAB O=c1/c(=N/Nc2ccc(Cl)cc2)c2cccc3cccc1c32 103380853 CZILHNSIEPWDQW-HEHNFIMWSA-N 306.752 3.810 0 40 DHAB CC(C)CCNc1nc(Cl)nc(Nc2cccc(F)c2)n1 199800533 UXWFRAXAOFBYRR-UHFFFAOYSA-N 309.776 3.866 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 219213491 OILIEFMNRIDZOI-OAHLLOKOSA-N 322.408 3.613 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccccc1 219589400 ABSDRZWOHUVRPJ-LJQANCHMSA-N 311.425 3.901 0 40 DHAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[C@@H](N)c1ccccc1 225443963 SDJLWMHAPFDCMV-YVEFUNNKSA-N 318.367 3.574 0 40 DHAB CCCOC(=O)c1cc(N)ccc1Nc1cccc(C(C)=O)c1 225483305 VLQOWRHWSJGACG-UHFFFAOYSA-N 312.369 3.782 0 40 DHAB CC(C)(C)CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 225905031 IQWZSYOPKQLFJY-HNNXBMFYSA-N 322.880 3.714 0 40 DHAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2)cc1N 226265794 ILADQOLMUNLRJA-AWEZNQCLSA-N 309.413 3.900 0 40 DHAB O=C(Oc1ccccc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390830480 LILDFRFLYWXAAU-GJZGRUSLSA-N 324.380 3.655 0 40 DHAB CC1=CC(C)(C)NC(Nc2nc(C)c3cc(C)c(C)cc3n2)=N1 575443890 SJYFUVVRYCMQTQ-UHFFFAOYSA-N 309.417 3.609 0 40 DHAB Cc1cnc(NC(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)o1 577219214 WXKRNTMCCMFSOX-KRWDZBQOSA-N 317.364 3.751 0 40 DHAB CC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 43156 BRFHYKMJLFGKAO-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB O=Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccc(F)cc1 107351 VXUQSYPRQAPOCJ-FPYGCLRLSA-N 304.704 3.910 0 40 DHAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccccc1 344683 VAIYLVSTCHKPAY-UHFFFAOYSA-N 302.182 3.794 0 40 DHAB Fc1ccc(Cc2nnc3sc(C4CCCCC4)nn23)cc1 385310 ZYZCHTKMCNOMKQ-UHFFFAOYSA-N 316.405 3.963 0 40 DHAB Cc1cccc(N2C(=O)S[C@H](N(C)c3ccccc3)C2=O)c1 1318033 VZMAOWOENWXHHE-INIZCTEOSA-N 312.394 3.657 0 40 DHAB O=C(COC(=O)CC1CCCC1)Nc1ccc(F)c(Cl)c1 2646125 TVMVVXBKQYRQSH-UHFFFAOYSA-N 313.756 3.541 0 40 DHAB Cc1cccc(C(=O)NCCc2nc3ccccc3n2C(C)C)c1 2721405 PDGVILJVFPQKCB-UHFFFAOYSA-N 321.424 3.898 0 40 DHAB COc1ccc2[nH]c(C(=O)N3CCc4ccccc4C3)c(C)c2c1 5348993 LOKPZSYSPZDXJF-UHFFFAOYSA-N 320.392 3.683 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1C 5531812 OCJGRZJTAABNAS-UHFFFAOYSA-N 322.364 3.580 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)Cc1ccc2c(c1)OCCO2 5577860 BBDMXQJPZOXHCZ-UHFFFAOYSA-N 317.772 3.601 0 40 DHAB O=C(Nc1cc2cc(Cl)ccc2oc1=O)C1CCCCC1 6585812 JSMQACJLVIFJRD-UHFFFAOYSA-N 305.761 3.965 0 40 DHAB Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2C[C@@H]2C)c2ccccc2)cc1 6639970 WPZORLNZTXBGHQ-WBAXXEDZSA-N 323.392 3.874 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(C(F)(F)F)c1 6650189 IJHCLLOUUQDGTM-BXUZGUMPSA-N 315.335 3.779 0 40 DHAB COC(=O)c1cn([C@@H](C)C(=O)Nc2ccccc2)c2ccccc12 6956498 NGFVFZRPHRBGJS-ZDUSSCGKSA-N 322.364 3.628 0 40 DHAB CCCCNCc1cc(Br)c(OC)c(OCC)c1 7261619 PDRKSNQENXKZHO-UHFFFAOYSA-N 316.239 3.746 0 40 DHAB CC(=O)Nc1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1 7272428 ITYNXINLENXFSM-UHFFFAOYSA-N 324.409 3.882 0 40 DHAB CCN(Cc1ccccc1)Cc1cc(=O)oc2cc(O)ccc12 7437496 LMEVUQYKSYGHAN-UHFFFAOYSA-N 309.365 3.521 0 40 DHAB Cc1ccccc1OCCSc1nc(-c2ccccc2)n[nH]1 7471550 FAGKLWWOQVJQSU-UHFFFAOYSA-N 311.410 3.951 0 40 DHAB Cc1n[nH]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2)o1 7602177 RXBKTTFILSYLGV-UHFFFAOYSA-N 320.805 3.906 0 40 DHAB CCOC(=O)c1c(C)[nH]c(-c2csc(N3CCCC3)n2)c1C 7643631 HOZBLQJVYJRIKC-UHFFFAOYSA-N 319.430 3.532 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1OC 8265079 ZGUOHLDVYQEOEX-GFCCVEGCSA-N 300.358 3.587 0 40 DHAB O=C(CCOc1ccccc1)N[C@H]1CCSc2ccccc21 8346082 ASUARCGIAKTYQZ-INIZCTEOSA-N 313.422 3.809 0 40 DHAB O=C(Nc1cccc(CNc2ncnc3sccc23)c1)C1CC1 9514221 VKGPJFAZBIISGC-UHFFFAOYSA-N 324.409 3.652 0 40 DHAB Cc1n[nH]c(SCCOc2ccc(Cl)cc2Cl)n1 11658754 GAVCAGVYRFCHCV-UHFFFAOYSA-N 304.202 3.591 0 40 DHAB Cc1ccc(-c2cc(CNC(=O)c3cccc(F)c3)no2)cc1 12235548 BELDQNJLDDNYTL-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB Fc1ccccc1-c1noc(-c2cc(-c3ccccc3)[nH]n2)n1 12415366 OEIZCBVBGKGQIH-UHFFFAOYSA-N 306.300 3.933 0 40 DHAB CCOc1cc(CNc2cccc3[nH]c(C)nc23)ccc1OC 12476607 ARAYALRARWNTIX-UHFFFAOYSA-N 311.385 3.891 0 40 DHAB COC(=O)[C@@H](C)c1cccc([C@@H](c2ccccc2)n2ccnc2)c1 13898175 YRSBGQIQVSGCJT-HNAYVOBHSA-N 320.392 3.797 0 40 DHAB in-man Cc1ccc2[nH]c(=O)c(CNCc3ccccc3Cl)cc2c1 13998958 JQLHUWMEGGXTNS-UHFFFAOYSA-N 312.800 3.780 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(F)cc1Cl 15967116 ISGOMGUFQDVONZ-SNVBAGLBSA-N 307.752 3.979 0 40 DHAB COCCCNCCCCOc1ccc(Cl)cc1Cl 19738577 HEBKGQPORMBVMY-UHFFFAOYSA-N 306.233 3.779 0 40 DHAB CC(C)Oc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1 20733665 AENPWSWTFUXLTA-AWEZNQCLSA-N 303.387 3.621 0 40 DHAB Cc1cn2c(=O)cc(COc3ccc(Cl)c(C)c3)nc2s1 21368823 GFYLFOXEMVTBFW-UHFFFAOYSA-N 320.801 3.605 0 40 DHAB Cc1cc(-n2c(C)cc(C(=O)N3CCc4ccccc43)c2C)no1 22008024 RNENXJWUBJKBDG-UHFFFAOYSA-N 321.380 3.593 0 40 DHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccncc1 22527916 WMOFXZAHHOHIBI-OAHLLOKOSA-N 320.845 3.922 0 40 DHAB COc1cccc(OCc2ccc(C(=O)Nc3ccncc3)o2)c1 28225017 UKEMSMCHNSXDGA-UHFFFAOYSA-N 324.336 3.515 0 40 DHAB C[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccccn1 28780153 QPLWGYZUPXUCSR-NEPJUHHUSA-N 300.427 3.759 0 40 DHAB CCN(CC)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 32784533 OCYQOWJFIQFPRP-UHFFFAOYSA-N 310.397 3.670 0 40 DHAB O=c1nc2n(c3sc4c(c13)CCCCC4)Cc1ccccc1-2 36611906 ZCCPJXYXPQIHET-UHFFFAOYSA-N 308.406 3.756 0 40 DHAB O=C(Nc1cccc2ccccc12)N(C[C@@H]1CCOC1)C1CC1 43157523 AZLYOIVJSRZWEU-AWEZNQCLSA-N 310.397 3.873 0 40 DHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC(C)CC1 57545149 HKMRLVBFGZIMIZ-UHFFFAOYSA-N 315.417 3.607 0 40 DHAB Cc1ccc(NC(=O)NCc2ccc(-n3ccnc3)cc2)cc1C 58087944 NNARPOSTOLPBDJ-UHFFFAOYSA-N 320.396 3.811 0 40 DHAB Cc1ccccc1OCCNC(=O)/C=C/c1ccccc1Cl 59475206 DZPMWWPCYQRRAR-ZHACJKMWSA-N 315.800 3.857 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1Cc1cc(F)cc(F)c1 65184385 ZMKVJWJXILDHCM-UHFFFAOYSA-N 323.726 3.539 0 40 DHAB CCN(C(=O)[C@@H](C)SCc1cc(C)on1)c1ccccc1 71818648 IKQRAFKCEBKRDK-CYBMUJFWSA-N 304.415 3.658 0 40 DHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H]1CC(C)(C)C 71845474 ZPBGCVMHYDNRFS-DOMZBBRYSA-N 305.466 3.568 0 40 DHAB COc1ccccc1Oc1ccc(C(=O)N2CCCCC2)o1 72265337 KCDCNIVPHRGPBX-UHFFFAOYSA-N 301.342 3.707 0 40 DHAB Cc1n[nH]cc1CN[C@@H](COc1ccccc1)c1ccccc1 72271480 RGYMEMZGNCKREV-IBGZPJMESA-N 307.397 3.628 0 40 DHAB O=C(Nc1cnn(CC(F)F)c1)Nc1cc(F)ccc1Cl 72944932 HZNFPZQSFWTEBB-UHFFFAOYSA-N 318.686 3.585 0 40 DHAB Cc1cc(Br)c2nc(-c3cccc(N)c3)[nH]c2c1 73633933 IAEMYBIYESQALN-UHFFFAOYSA-N 302.175 3.883 0 40 DHAB CCSc1ccccc1C(=O)Nc1nc2c(s1)COCC2 77155732 BWXOJUFQZNBLDK-UHFFFAOYSA-N 320.439 3.580 0 40 DHAB Cc1nc(C)c(C(=O)Nc2ccccc2N(C)C2CCCC2)o1 84061333 HOJUINUAPROMPA-UHFFFAOYSA-N 313.401 3.923 0 40 DHAB C[C@@H](CC(=O)OC[C@H]1CCN(c2ccccc2)C1)c1ccncc1 84636940 ZNUKDJIGJOKJGA-IRXDYDNUSA-N 324.424 3.645 0 40 DHAB Cc1occc1CN(C)C(=O)c1ncoc1-c1cccs1 89540704 BOUXVMCTLYVOHC-UHFFFAOYSA-N 302.355 3.577 0 40 DHAB COC(C)(C)C[C@@H](C)NC(=O)Nc1cccc(-c2ncco2)c1 89894790 SZFWRMNJKHGTSS-GFCCVEGCSA-N 317.389 3.667 0 40 DHAB O=C(Nc1cccnc1)N1CC[C@@H](CSc2ccccc2)C1 96434126 ZVEHRBIXLKEDFX-CQSZACIVSA-N 313.426 3.728 0 40 DHAB CO[C@@H](C)c1cccc(NC(=O)NCc2sc(C)nc2C)c1 96434546 XYHUZERDWPGQNV-NSHDSACASA-N 319.430 3.789 0 40 DHAB CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@H]1CCCOC1 96449485 XNXUMCHABPOYHP-CYBMUJFWSA-N 311.372 3.520 0 40 DHAB CCc1cccc(N(C#N)Cc2csc([C@H](C)OC)n2)c1 96466040 LXKJAEIRVRSNGZ-LBPRGKRZSA-N 301.415 3.901 0 40 DHAB COc1ccc(C)nc1NC(=O)N1CCC[C@@H]1c1cccs1 97378654 OYLBZLXHZULRMN-GFCCVEGCSA-N 317.414 3.829 0 40 DHAB Cc1cnc(NC(=S)NCc2ccc(F)cc2)c(Cl)c1 223946235 WVKBMLZIPKBPFE-UHFFFAOYSA-N 309.797 3.669 0 40 DHAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1 225053213 BSPPXALROTYODF-UHFFFAOYSA-N 315.369 3.804 0 40 DHAB COc1cccc(Nc2ccc(C(=O)OC(C)C)cc2N)c1 225430087 HSOLAGAXBGIXCQ-UHFFFAOYSA-N 300.358 3.586 0 40 DHAB CC1(C)C[C@H](NC(=S)Nc2ccncc2)c2ccccc2O1 225579591 SJWJJIFIMZJOKT-AWEZNQCLSA-N 313.426 3.670 0 40 DHAB CCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCC)c(C)c1 225896777 XREGMOINNFJYPE-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 253479677 RSMCDIGUYNLUPN-ZJNNMKFESA-N 323.521 3.842 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@@H]3c3cnccn3)ccc2o1 257323513 WKNZTGMMPINONX-MRXNPFEDSA-N 307.353 3.509 0 40 DHAB COc1ccc(C(=O)Sc2nc3ccc(C)cc3[nH]2)c(O)c1 408619871 IEDUHGRUYGUEFL-UHFFFAOYSA-N 314.366 3.518 0 40 DHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccsc1 1775967417 QQBANYUOJYSDEO-LLVKDONJSA-N 319.407 3.533 0 40 DHAB CC(=O)N[C@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C 200842 VFMYXCKYAQBRSN-OAHLLOKOSA-N 321.424 3.899 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)C1 350710 SLJQCXKWMCDIOX-IECFSIQFSA-N 311.510 3.557 0 40 DHAB Cc1cccc(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c1 364570 OFZHXZHOJQJCTK-GFCCVEGCSA-N 323.651 3.875 0 40 DHAB CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1N 419883 ZAWGCIQDWXLRGQ-UHFFFAOYSA-N 314.385 3.627 0 40 DHAB Cn1nnc2cc(NC(=O)Nc3ccc4ccccc4c3)ccc21 800506 QDXFLAPRXFDVTJ-UHFFFAOYSA-N 317.352 3.766 0 40 DHAB Cc1cc(NC(=O)c2ccccc2C)n(-c2cccc(F)c2)n1 1428122 NTFGLFMYXPYPEJ-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB CN(C[C@@H](O)COc1ccccc1C(C)(C)C)C1CCCCC1 1475523 RIXILAJGJJCOJW-QGZVFWFLSA-N 319.489 3.988 0 40 DHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nc[nH]c2c1 2873595 MHSAFKYEYVQVEG-UHFFFAOYSA-N 321.258 3.714 0 40 DHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1 3398720 QCZFBRASGYQHOS-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1cccc(Cl)c1 3408834 HTXQVWXXWYACJD-UHFFFAOYSA-N 320.820 3.875 0 40 DHAB CCN(Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)C(C)C 4230403 YIACVEFLTUJTMM-INIZCTEOSA-N 315.465 3.647 0 40 DHAB COc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3C)sc2C)cc1 5578395 CAHYKTZJNZQGJH-ZANVPECISA-N 302.399 3.722 0 40 DHAB Cc1noc(C)c1COc1ncnc2sc3c(c12)CCCC3 7007827 AKDQRACQWLWEJV-UHFFFAOYSA-N 315.398 3.754 0 40 DHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1F 7364426 HTOUJCDIRYQSEB-KRWDZBQOSA-N 312.344 3.563 0 40 DHAB COc1ccc(CNc2cc(C(=O)O)ccc2Cl)c(OC)c1 8990996 RAFWCSKBGKSEQC-UHFFFAOYSA-N 321.760 3.668 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)Nc2onc3c2CCCC3)c1C 11914759 MWVSRLJIJLKXDX-CYBMUJFWSA-N 314.385 3.576 0 40 DHAB CN(C(=O)C(C)(C)C)c1ccccc1C(=O)NCc1ccccc1 12293652 JWXSZAPDRVAVBA-UHFFFAOYSA-N 324.424 3.626 0 40 DHAB COc1ccc(NC(=O)/C=C(\C)N[C@@H]2CCCC[C@@H]2C)cc1 12627570 OSTBZBOZKDCOFF-VQBPEDTISA-N 302.418 3.706 0 40 DHAB CC(C)n1ncc2cc(C(=O)N(C)[C@H](C)c3ccccc3)cnc21 12765773 BUPIVTYBUXRJLC-CQSZACIVSA-N 322.412 3.845 0 40 DHAB Cc1[nH]c2ccc(C(=O)N(C)CCOc3ccccc3)cc2c1C 14188423 FOAWXYNQTNRQGR-UHFFFAOYSA-N 322.408 3.936 0 40 DHAB O=C(O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 14398627 CIDLCMBFXAFOCW-UHFFFAOYSA-N 324.380 3.627 0 40 DHAB Cc1ccccc1Cc1c(C)nn(-c2nc3ccccc3o2)c1O 14607876 YZHBQOPYADIPDM-UHFFFAOYSA-N 319.364 3.927 0 40 DHAB O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccccc1 17356151 YBHZENVEDMFQTJ-UHFFFAOYSA-N 307.802 3.681 0 40 DHAB CCCCOc1cccc(C(=O)Nc2cc(N)ccc2F)c1 19736636 PCFMFHHURYMDJO-UHFFFAOYSA-N 302.349 3.839 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccc(F)c(F)c2F)cc1 20029697 RAULGDFNRPTPMX-VIFPVBQESA-N 309.287 3.604 0 40 DHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(F)c(F)c1F 20029711 YOLYVZFAYQCDEC-UHFFFAOYSA-N 305.177 3.774 0 40 DHAB COc1ccc(OCc2nc(Nc3ccccc3)ns2)cc1 28527360 FDRXOUYYDGMOGO-UHFFFAOYSA-N 313.382 3.869 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1C 29482390 NMPWYYBEJKVLME-LJQANCHMSA-N 308.425 3.861 0 40 DHAB CCC(CC)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 32909433 USLUIPDPRYTBDW-KRWDZBQOSA-N 320.433 3.643 0 40 DHAB Cc1cccc(C)c1N(Cc1cccc(Cl)c1)S(C)(=O)=O 33667002 PRLSQBMLSPJQFU-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB COc1ccc([C@H](O)c2ccccc2Br)cc1OC 40243565 HWOKKPHUCIWPRO-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCCC2)c1 40473010 KINLUBRKLJSCTD-INIZCTEOSA-N 303.402 3.558 0 40 DHAB Cc1ccc([C@H](C)NC(=O)c2oc(Br)cc2C)o1 45042719 MBILQBXKFKHJDQ-VIFPVBQESA-N 312.163 3.743 0 40 DHAB Cc1cc([C@H](C)NC(=O)c2cnc3onc(C)c3c2)c(C)s1 46362874 XRBFDBJVNDBQJA-VIFPVBQESA-N 315.398 3.701 0 40 DHAB CN(Cc1cc(Br)cs1)C(=O)c1ccccc1 48069405 ZRRKJUCYKDBDRU-UHFFFAOYSA-N 310.216 3.783 0 40 DHAB CCOc1ccccc1CNC(=O)Cc1ccccc1Cl 53162057 XIEDNHBQTYOJAH-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB Cc1n[nH]c(SCc2cccc(C(=O)Nc3ccccc3)c2)n1 54452338 CZCZPLUTONYTEA-UHFFFAOYSA-N 324.409 3.658 0 40 DHAB CSc1ccc(-c2noc(CN3CCCCCC3)n2)cc1 57427624 OWKNEWILPSPISE-UHFFFAOYSA-N 303.431 3.835 0 40 DHAB COC[C@@H](C)N(C)C(=O)Nc1ccc(OC2CCCC2)cc1 58324082 XDPXSOHQJWNWTO-CYBMUJFWSA-N 306.406 3.507 0 40 DHAB Fc1ccc2c(c1)CCCN2Cc1nc(Cc2ccccc2)no1 58342556 BGRAIWJRBFHOKA-UHFFFAOYSA-N 323.371 3.752 0 40 DHAB CC1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1 59843241 AMWVAHIQOCXJPD-AATRIKPKSA-N 308.219 3.721 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(N2CCCC2)c1)c1ccccn1 65475773 GVRFOZNQTXDLCW-CQSZACIVSA-N 310.401 3.565 0 40 DHAB COc1ccc(OC)c(-c2csc(NCC(F)(F)F)n2)c1 65516336 VXPYLOCBDUKEAZ-UHFFFAOYSA-N 318.320 3.802 0 40 DHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(C)c1C 69384999 DDOMSKWMFNWAQH-WMZOPIPTSA-N 311.429 3.527 0 40 DHAB COCCCCC(=O)Nc1cc(F)ccc1SCC(F)F 72291403 JPKZLIPWQRCKMO-UHFFFAOYSA-N 321.364 3.938 0 40 DHAB Cc1nc([C@@H](NC(=O)Nc2ccc(C)c(Cl)c2)C(C)C)n[nH]1 72314095 QBGOODHDYTYWGD-ZDUSSCGKSA-N 321.812 3.594 0 40 DHAB CC(=O)Nc1cccc(NCc2noc(-c3ccccc3)n2)c1C 75094723 GYPSPCVIQPKYQP-UHFFFAOYSA-N 322.368 3.616 0 40 DHAB Cc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)s1 78798230 MZEHBKPHLRRBKM-UHFFFAOYSA-N 314.410 3.897 0 40 DHAB CCC[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1 80343792 YMVGSAHCPGFRPV-ULQDDVLXSA-N 317.429 3.578 0 40 DHAB FC(F)(F)c1ccccc1CN1CCC[C@H](c2ccn[nH]2)C1 84504679 YDCZYQXIIKZQCL-ZDUSSCGKSA-N 309.335 3.808 0 40 DHAB Cc1ccc(CN[C@H](C)c2cnn(-c3ccccn3)c2C)s1 95420459 BUMMUXAGCREJGP-CYBMUJFWSA-N 312.442 3.796 0 40 DHAB CC(C)n1ccc2c(C(=O)NCC(=O)c3ccccc3)cccc21 95474659 IXIVEOOYIBVLAS-UHFFFAOYSA-N 320.392 3.835 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccccc1Cl)c1ccsc1 96097396 AINSGZKFIIMZTG-LQYUOIDQSA-N 321.829 3.919 0 40 DHAB CC(C)c1ccc(NC(=O)[C@H]2CSC(=O)N2)c(C(C)C)c1 97010847 AFLHFYWGRRIZKJ-CQSZACIVSA-N 306.431 3.697 0 40 DHAB CCOc1ccc(CN2[C@@H]3CC[C@@H]2c2cccnc2C3)cc1OC 100198395 QZUAMOFHHXXURY-CRAIPNDOSA-N 324.424 3.751 0 40 DHAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)O[C@@]3(C)CC[C@@H]21 104308228 INHMMEWBTMZXLR-DWRORGKVSA-N 300.398 3.847 0 40 DHAB C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)[C@H]1C[C@H]2CC[C@H]1C2 107451348 OSGFBVVBLYQODD-BBSYFARCSA-N 321.424 3.584 0 40 DHAB CCc1nnc(S/C(=C\c2ccc(C(C)C)cc2)C(=O)O)o1 213415428 SLYSARPDNUMLDH-LCYFTJDESA-N 318.398 3.973 0 40 DHAB CC(C)[C@H](C)NC(=O)CSCc1c(F)cccc1Cl 225186176 UGMJUJRPKBKWLL-JTQLQIEISA-N 303.830 3.873 0 40 DHAB COCCN(Cc1ccoc1)C(=O)c1cc2ccccc2s1 225622671 NEHUTTHROSCCLG-UHFFFAOYSA-N 315.394 3.783 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(F)c2)cc1 225641012 BKGOCHPBVHCJFT-CYBMUJFWSA-N 318.417 3.888 0 40 DHAB CCCn1ccnc1CN1CCC(C)(c2ncc(C)s2)CC1 257211444 BYWRKEUOAMQOOA-UHFFFAOYSA-N 318.490 3.612 0 40 DHAB CN(Cc1c(F)ccc(O)c1F)CC1(c2ccccc2)CC1 512971269 CEHTVTCVQFYDTQ-UHFFFAOYSA-N 303.352 3.834 0 40 DHAB c1ccc(Oc2ccc(OCCN3CCCOCC3)cc2)cc1 525119690 BBYXJHYMGQEPTM-UHFFFAOYSA-N 313.397 3.580 0 40 DHAB O=C1CCCc2cc(NCc3scnc3C3CC3)ccc2N1 566408541 OKVLUNWLHDPYIB-UHFFFAOYSA-N 313.426 3.907 0 40 DHAB CC[C@H](C)Oc1ccc(-c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)cc1 680752809 AHTWQZNKSUCAGL-AEAUEXCSSA-N 314.385 3.949 0 40 DHAB O[C@@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)NCC2 187988 INWMRQARFUAODH-VHDGCEQUSA-N 300.229 3.949 0 40 DHAB biogenic CCn1nc(NC(=O)c2ccccc2)c2cc3ccccc3nc21 526022 LBRSGWPRJZDEGG-UHFFFAOYSA-N 316.364 3.857 0 40 DHAB S=C(NC[C@H]1CCCO1)Nc1ccccc1-c1ccccc1 2776620 RHMPLLGMYUGASA-OAHLLOKOSA-N 312.438 3.819 0 40 DHAB FC(F)Sc1ccc(NC(=S)NN2CCCCC2)cc1 3255480 XCFYAZRMAZTLOH-UHFFFAOYSA-N 317.430 3.689 0 40 DHAB Oc1ccc(Cc2ccc(O)c(Cc3ccc(O)cc3)c2)cc1 3650484 YQOVRUAPWCGSLC-UHFFFAOYSA-N 306.361 3.985 0 40 DHAB biogenic,in-vitro COc1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1 4511506 SEILJTFLGVHPLH-UHFFFAOYSA-N 316.744 3.978 0 40 DHAB Cc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)cc1 5574347 DIVOJLZKXZINHS-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(OC(=O)c3ccc[nH]3)cc2)c1 8330792 QHVITKKLDGJBEL-UHFFFAOYSA-N 320.348 3.795 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 8427775 QWOVCZWLNWLVGG-DOTOQJQBSA-N 322.408 3.543 0 40 DHAB O=C(COc1cccc(Cl)c1)Nc1nc2c(s1)CCCC2 9251002 JIAAOKSCXPWSDY-UHFFFAOYSA-N 322.817 3.693 0 40 DHAB COc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(C)c2)c1 10225812 POOWRQFXFLXTAN-LJQANCHMSA-N 324.424 3.779 0 40 DHAB CN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 16916606 DVGQPJROCXMIDN-UHFFFAOYSA-N 314.772 3.501 0 40 DHAB COc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(CO)o1 20137373 NTGHWGFATCFZQP-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB O=C(CNc1ccccc1Oc1ccccc1Cl)NC1CC1 28649813 HNYJFNLVDDTVFX-UHFFFAOYSA-N 316.788 3.823 0 40 DHAB O=C(CCC1CCCC1)NCc1ccccc1Cn1cccn1 28793885 SLOQPMYINJYHJC-UHFFFAOYSA-N 311.429 3.518 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 29143815 BQJMVRPUOYGTGI-GFCCVEGCSA-N 319.788 3.892 0 40 DHAB Cc1cccc(Nc2c(C(=O)O)cnc3cc4c(cc23)OCO4)c1 31771934 RZDNINADOPZUBT-UHFFFAOYSA-N 322.320 3.714 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 31864587 FXNMFAFMEOPEFJ-TXEJJXNPSA-N 315.442 3.632 0 40 DHAB C[C@H](Cc1ccccc1Cl)NC(=O)Cc1cccc(F)c1 32930657 ZDOJEPCEYAWZEZ-GFCCVEGCSA-N 305.780 3.769 0 40 DHAB O=C(c1c[nH]c2ccccc12)N1CCO[C@@H](c2ccc(F)cc2)C1 32937803 GGOYCNYKTVPYSU-GOSISDBHSA-N 324.355 3.521 0 40 DHAB Fc1ccc(CCNCc2c[nH]nc2-c2cccs2)cc1 35052341 MLFWWSUTOBGWQN-UHFFFAOYSA-N 301.390 3.610 0 40 DHAB CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2nc(N)sc21 36366382 AOEUECGCIASQSW-SNVBAGLBSA-N 303.387 3.636 0 40 DHAB Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2 39226989 JPRXXCAURFMXJG-UHFFFAOYSA-N 321.420 3.995 0 40 DHAB Cc1ccc(CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 40478817 GBGODMKSZPLGKK-UHFFFAOYSA-N 323.421 3.773 0 40 DHAB COc1ccc(C[C@H]2CCCN=C2c2cccnc2)c(OC)c1 49808163 ODLOPYOPLAYOCA-OAHLLOKOSA-N 310.397 3.541 0 40 DHAB O=C1O[C@H](c2ccc(O)cc2)Nc2cc(C(F)(F)F)ccc21 54363789 BTHXVASKUZHAGW-CYBMUJFWSA-N 309.243 3.692 0 40 DHAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccncc1)c1ccccc1Cl 58202379 QLVRHFHMCDPTRS-GLQYFDAESA-N 300.789 3.716 0 40 DHAB COc1ccccc1C[C@@H]1CCCN1Cc1c(C)noc1C 58525564 YXHJHSMNPNZBMN-INIZCTEOSA-N 300.402 3.507 0 40 DHAB Cc1noc([C@H](C)[S@@](=O)Cc2ccc(Cl)c(Cl)c2)n1 71888564 FQYNUSULVSALGC-ZDVLTJLQSA-N 319.213 3.695 0 40 DHAB CC(C)c1cnc(-c2ccc(NC(=O)[C@@H]3CCCO3)cc2)o1 71909703 XXVGSJAFHGDJBQ-AWEZNQCLSA-N 300.358 3.583 0 40 DHAB O=C(Nc1nc(Sc2ccccc2)ns1)c1ccccc1 72238677 RFNQTSFVHXKQDR-UHFFFAOYSA-N 313.407 3.942 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 72273837 QEXAFMOMKIQKLT-AWEZNQCLSA-N 318.446 3.665 0 40 DHAB Cn1cccc1CN(Cc1cccs1)C(=O)[C@@H]1CC=CCC1 75170189 PWRHETKZBUGDFP-OAHLLOKOSA-N 314.454 3.972 0 40 DHAB CC[C@@H](NC(=O)NCc1cccc(Cl)c1)c1ccncc1 76083956 CMOREJNBRWKKRY-OAHLLOKOSA-N 303.793 3.686 0 40 DHAB O=C(Nc1cnn(-c2ccccc2)c1)N1C[C@@H]2CCCC[C@H]2C1 78613566 WZQFDOXGSXSYRN-GJZGRUSLSA-N 310.401 3.526 0 40 DHAB OCC1CCN(Cc2cccc(NCc3ccccc3)c2)CC1 86258393 QDKVETJYBOOJHM-UHFFFAOYSA-N 310.441 3.503 0 40 DHAB CC[C@H](c1ccc(F)cc1F)[S@@](=O)C[C@@H]1CCCCO1 95407423 SABMURBEWQUDKQ-PGICJIBASA-N 302.386 3.734 0 40 DHAB C[C@@H](CC(=O)NCCc1ccc(C(=O)O)cc1)C1CCCCC1 95424111 LVICNXSMBMXUJQ-AWEZNQCLSA-N 317.429 3.650 0 40 DHAB Cc1ccn2c(CNc3cccc(-c4noc(C)n4)c3)cnc2c1 95428748 PGOBJVMJYSCVTG-UHFFFAOYSA-N 319.368 3.613 0 40 DHAB Fc1cccc([C@@H]2CN(Cc3ccccc3)[C@@H]3CCCCN[C@@H]23)c1 95951726 IWRWODFGAFPPPV-HBMCJLEFSA-N 324.443 3.936 0 40 DHAB CCNCc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C 95971526 BQJFOGIYGGMQMJ-QZTJIDSGSA-N 308.425 3.847 0 40 DHAB Nc1nc(-c2ccccc2)nc(N)c1Cc1ccc(Cl)cc1 96319420 CYWBJPLAZHGBOP-UHFFFAOYSA-N 310.788 3.552 0 40 DHAB C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)[C@H]1c1ccccc1 97099377 PAMWJHBAVDXRAD-MLGOLLRUSA-N 308.385 3.579 0 40 DHAB Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cccs1 97115109 LHSUZVLKPWENNY-UHFFFAOYSA-N 320.395 3.512 0 40 DHAB O=C(Nc1cc(-c2ccccc2F)no1)c1ccc(F)cc1 97604972 XECKJMKITGUZCC-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB O=C(Cc1cc(Br)ccn1)c1ccc(Cl)cc1 98175328 XHPJXWKQKAHNEZ-UHFFFAOYSA-N 310.578 3.923 0 40 DHAB CCOCOc1ccc(COC(=O)C2[C@H]3CCCC[C@H]23)cc1 101957338 FZNSVUWAPAGXDU-HOTGVXAUSA-N 304.386 3.539 0 40 DHAB CCOc1ccc(CN(C)C(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102971615 YGMORZHJFDBGKQ-BFYDXBDKSA-N 318.486 3.580 0 40 DHAB O=C(O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 110074443 BVVZMKQRFXVXJI-UHFFFAOYSA-N 306.277 3.848 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)CSC[C@@H]1CCCCO1 171382583 JWBCVMWQWOFFBU-STQMWFEESA-N 313.488 3.570 0 40 DHAB COc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 223743799 YTZWEANXEFOCKM-UHFFFAOYSA-N 313.397 3.627 0 40 DHAB CCCOc1ccc(NC(=O)C(C)(C)OC)c2ccccc12 225789825 ADOFRBJMXQQNQZ-UHFFFAOYSA-N 301.386 3.992 0 40 DHAB CC(C)(C)NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225827010 PCPFMGJNMMZSFB-UHFFFAOYSA-N 323.396 3.737 0 40 DHAB Fc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225851484 DJNWQOOLLNNFOD-UHFFFAOYSA-N 315.417 3.977 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1 225858616 FFVCKVHYENMDPF-OAHLLOKOSA-N 309.409 3.649 0 40 DHAB CCCN(CCC)C[C@@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 248341554 WLHJRBJPHRKJAX-VXIBKDFQSA-N 311.510 3.701 0 40 DHAB Cc1ccc(NC(=O)c2cc(Cl)cc3c2O[C@@H](C)C3)nc1 252509245 YHXAABRIBKBTAC-JTQLQIEISA-N 302.761 3.619 0 40 DHAB CCc1ccccc1NC(=O)c1cn(CC)c2ccccc2c1=O 408713129 LCWRROARFOZHQA-UHFFFAOYSA-N 320.392 3.836 0 40 DHAB C[C@@H](NC(=O)C1CCC(=O)CC1)c1ccc(-c2cccnc2)cc1 531335908 HSSWQBVUQDDVCE-CQSZACIVSA-N 322.408 3.685 0 40 DHAB CN(Cc1ccco1)[C@@H](C(=O)O)c1ccccc1C(F)(F)F 568281274 FKRASXQOJIQKFC-CYBMUJFWSA-N 313.275 3.556 0 40 DHAB O=C(CSc1ccc(F)cc1)NCc1cncc(C2CC2)c1 575606713 QPDMQICBKRHCEA-UHFFFAOYSA-N 316.401 3.507 0 40 DHAB Cc1ccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)cc1 385555 XWCQFWZZTISEND-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB Cc1ccccc1OCC(=O)Nc1nc(C(C)(C)C)cs1 413619 CKQYSJXCMRJRGK-UHFFFAOYSA-N 304.415 3.767 0 40 DHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccccc2)cc1 568319 QVUKNWVZSCSOFS-UHFFFAOYSA-N 319.408 3.880 0 40 DHAB CC1(C)CC(=O)C[C@@H](c2ccccc2)[C@H]1NC(=O)c1ccccc1 1442018 KEHRRJFPXNWJJN-RBUKOAKNSA-N 321.420 3.958 0 40 DHAB CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 1632289 PVGALIKOSLDYBA-UHFFFAOYSA-N 301.386 3.887 0 40 DHAB Cc1cccc(N[C@H]2SC(=O)N(c3ccccc3C)C2=O)c1 2401934 HKXUXOGJKNZHTK-HNNXBMFYSA-N 312.394 3.941 0 40 DHAB CCOc1ccc(-c2noc(-c3cccnc3)n2)cc1OCC 2436990 OAWWGLPBZMKECF-UHFFFAOYSA-N 311.341 3.596 0 40 DHAB Cc1cccc2sc(NC(=O)c3ccc(Cl)nc3)nc12 2629096 VQLRQFDQGYSLHS-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1C 2803444 PXUAESKFJRDGQL-UHFFFAOYSA-N 318.423 3.714 0 40 DHAB C[C@@H]1CCCCN1C[C@H](O)COc1ccc(C(C)(C)C)cc1 3893510 BCFVDPZYAPIOHZ-WBVHZDCISA-N 305.462 3.598 0 40 DHAB Cc1ccc(C)c(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)c1 4062640 GGXPPRUZINUBDA-UHFFFAOYSA-N 320.392 3.925 0 40 DHAB CCOc1ccc(-[n+]2c(C)c3c(O)cccc(OC)c-3c2C)cc1 4372016 FMKPASLBKPXDNK-UHFFFAOYSA-O 324.400 3.798 0 40 DHAB C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccncc1 5636231 BBWYRQRAVGZNLB-LBPRGKRZSA-N 300.427 3.903 0 40 DHAB Cc1ccccc1NC(=S)N(C)Cc1ccc(Cl)nc1 6268426 YCVRJIJUVIQJLN-UHFFFAOYSA-N 305.834 3.872 0 40 DHAB O=C(c1ccc(F)cc1)c1ccc(OC(=O)c2ccco2)cc1 6639803 ROOGSRQZYUMBRU-UHFFFAOYSA-N 310.280 3.869 0 40 DHAB COC(=O)c1cc(C(C)(C)C)n2nc(C)c(-c3ccccc3)c2n1 7636249 BAAZDQFBWXDVCV-UHFFFAOYSA-N 323.396 3.789 0 40 DHAB Cc1c(C(=O)NCc2ccccc2CN(C)C)oc2ccccc12 7941572 LJZITUPOPMUYRZ-UHFFFAOYSA-N 322.408 3.733 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCSc3ccccc32)cc1 8037236 IWOXQHPMXZGXKA-UHFFFAOYSA-N 319.451 3.686 0 40 DHAB Cc1cc(C(=O)Nc2cccc(Br)c2)c(C)n1C 8051688 ZAGIZZMYFLLXTK-UHFFFAOYSA-N 307.191 3.657 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1F 8259553 XWHXDUUFHJNIKD-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)c(C)c1 8259590 JQILCBIFLOBKBK-UHFFFAOYSA-N 315.344 3.546 0 40 DHAB Cc1c(Cl)cccc1NC(=O)Cc1cn2ccsc2n1 8281236 JDBONQDENNJIEG-UHFFFAOYSA-N 305.790 3.539 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 8477716 ZEQLINWEMKCTGZ-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB Cc1cccc(-n2nc(C(=O)O)nc2-c2cccc(Cl)c2)c1 8730851 FAXVVJIGBWVTDB-UHFFFAOYSA-N 313.744 3.594 0 40 DHAB Cc1ccc(NC(=O)CCc2ccco2)c(Br)c1 9953889 HLGOQMGMGDRUOR-UHFFFAOYSA-N 308.175 3.922 0 40 DHAB O=C(OCc1cccc(Br)c1)c1cccc(O)c1 10529740 FVENWJVFLYHCBY-UHFFFAOYSA-N 307.143 3.512 0 40 DHAB Cn1c(SCc2cccc3cccnc23)nnc1C(F)(F)F 11393873 OOFGMPBNYHACFV-UHFFFAOYSA-N 324.331 3.674 0 40 DHAB O=C(N1CCC(c2ccncc2)CC1)C1(c2ccccc2)CC1 12117365 YBMFRPBYRSADSS-UHFFFAOYSA-N 306.409 3.519 0 40 DHAB ON1C(c2ccc(Cl)cc2Cl)N(O)[C@@H]2CCCC[C@@H]21 13115975 GBTQIQHSKGDVDJ-FUNVUKJBSA-N 303.189 3.699 0 40 DHAB Cc1ccc(CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 13998582 XZVXFKVUBIXPJC-UHFFFAOYSA-N 306.409 3.743 0 40 DHAB Cc1nn(C)cc1-c1cncn1[C@H](C)c1ccc2c(c1)CCCO2 19719470 IVYYPVVCEXRTJD-CQSZACIVSA-N 322.412 3.526 0 40 DHAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)C(F)(F)F 20137027 CAKJUTMFPGGGOF-UHFFFAOYSA-N 319.666 3.593 0 40 DHAB COc1cc(CC(=O)Nc2cnc3ccccc3c2)ccc1C 21137415 XEFAACGNYVGYNN-UHFFFAOYSA-N 306.365 3.733 0 40 DHAB CSc1cccc(NC(=O)c2cncn2-c2ccccc2)c1 21782328 PYRHPHNKDKRLJJ-UHFFFAOYSA-N 309.394 3.847 0 40 DHAB CCOc1cccc(NC(=O)CSc2ccc(OC)cc2)c1 22517771 ANKPYTJZCSQGGQ-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB CN(C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1)c1cccs1 23105462 OJQOZRRRPMTZOK-ZDUSSCGKSA-N 323.849 3.826 0 40 DHAB Cc1sc2nc(SC[C@H]3CCCCO3)nc(N)c2c1C 23107784 BJTCVXVKUORADR-SNVBAGLBSA-N 309.460 3.552 0 40 DHAB O=C(NCC1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1 23127947 HUKJCHKEVPZUBP-UHFFFAOYSA-N 320.864 3.724 0 40 DHAB Cc1ccc2c(COc3ccc(F)cc3F)cc(=O)oc2c1 24048222 DTDYMXOMAVVILW-UHFFFAOYSA-N 302.276 3.959 0 40 DHAB CSc1ccccc1C(=O)NC[C@H](c1cccs1)N(C)C 25777978 FURXOGADYLAVMC-CYBMUJFWSA-N 320.483 3.503 0 40 DHAB Cc1ccc(Cn2ccc(NC(=O)/C=C/c3ccccc3)n2)cc1 27929577 POTFWDDWKZRIJR-VAWYXSNFSA-N 317.392 3.892 0 40 DHAB Cc1cnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1 28225480 WJKGFSNFLQXBPB-UHFFFAOYSA-N 323.226 3.559 0 40 DHAB C[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)n1cccn1 28411561 PNPFXGSDPLTGRD-ZJUUUORDSA-N 312.200 3.628 0 40 DHAB CC(C)c1n[nH]c(SCc2cc(F)cc3cccnc23)n1 31615997 LNPIAXNHNMYILV-UHFFFAOYSA-N 302.378 3.908 0 40 DHAB O=C(Cc1ccccc1F)Nc1ccc(Oc2cnccn2)cc1 32930787 PWMPIGATSYGEGI-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB CSc1ncccc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 36394663 LYMFDKQGHGCBEN-MELADBBJSA-N 304.459 3.892 0 40 DHAB O=S(=O)(c1ccccc1)N1CCC[C@H]1c1ccccc1Cl 36620697 QFOHOHKJOKGEFI-INIZCTEOSA-N 321.829 3.866 0 40 DHAB C(=C\c1nn2c(C3CCCCC3)nnc2s1)\c1ccco1 36645998 YOEMUOUNRLRNOP-HJWRWDBZSA-N 300.387 3.997 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2F)c1 51354090 FRZSAMYCPOTMHI-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB CCN1CCC(N(C)C(=O)Nc2cccc3ccccc23)CC1 57529809 LLHLOYONHDCWJB-UHFFFAOYSA-N 311.429 3.788 0 40 DHAB CCOc1cccc(CNC(=O)c2cc(Cl)ccc2OC)c1 57669999 VFAILUIZGJAPAT-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB Cc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)no1 57995378 RUPCGMPQURZJNS-MRXNPFEDSA-N 305.422 3.627 0 40 DHAB Cc1cc(NC(=O)CSC2=Nc3ccccc3CS2)on1 58369551 GHJFQHFICMGZHN-UHFFFAOYSA-N 319.411 3.589 0 40 DHAB CC(C)[C@@H](NC(=O)CC1CCCCC1)c1nc(C2CC2)no1 68051027 ZNHDTXDKDMOIBS-OAHLLOKOSA-N 305.422 3.731 0 40 DHAB Cc1cccc(OC(F)F)c1NC(=O)[C@@H]1C[C@H]1c1ccco1 69536058 SSSPYEMBAQXZNJ-GHMZBOCLSA-N 307.296 3.932 0 40 DHAB C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccn1 69559954 QMFKVQDGOPSCJX-TZMCWYRMSA-N 322.330 3.995 0 40 DHAB CSc1ccsc1C(=O)Nc1cc(-c2ccncc2)n[nH]1 71886016 UFMGXPSUNCNKTH-UHFFFAOYSA-N 316.411 3.507 0 40 DHAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccs1 75117472 RUGPNZZOBGSBBN-GFCCVEGCSA-N 324.405 3.594 0 40 DHAB O=C(C[C@H]1C=CCC1)N1CCC(Oc2ccc(F)cc2)CC1 79360272 YCSHEEMTYZRXJQ-AWEZNQCLSA-N 303.377 3.552 0 40 DHAB C[C@H](SCC1(CO)COC1)c1ccc(Cl)cc1Cl 89603173 VICVZHAYHWADMB-VIFPVBQESA-N 307.242 3.797 0 40 DHAB COc1ccccc1CCNC(=O)c1[nH]c2ccc(C)cc2c1C 89657488 GLZNBQGSFKGCLP-UHFFFAOYSA-N 322.408 3.766 0 40 DHAB CC[C@@H](NC(=O)c1ccccc1SC(F)F)[C@H]1CCCO1 89942885 OLPWFWUIMHWBPH-VXGBXAGGSA-N 315.385 3.689 0 40 DHAB Cc1cnc(C[S@](=O)Cc2csc(C3CCCCC3)n2)o1 95409617 WNQXOOHUWCEMLK-NRFANRHFSA-N 324.471 3.936 0 40 DHAB CCOc1ncccc1CN[C@H](C)c1ccc2ccccc2n1 95420104 MQEHOVMBSCTPSZ-CQSZACIVSA-N 307.397 3.879 0 40 DHAB N[C@H](c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)n[nH]1 95533996 XONOXRIXVNDEIP-CYBMUJFWSA-N 319.195 3.827 0 40 DHAB Cc1ncsc1CN(C)C(=O)/C=C/c1ccnc2ccccc12 96409904 NLGPRXPSJNUIRM-BQYQJAHWSA-N 323.421 3.672 0 40 DHAB Cc1cc(C(=O)O)nn1-c1c(Cl)cc(Cl)cc1Cl 97937463 QNECPKXYYKAAII-UHFFFAOYSA-N 305.548 3.839 0 40 DHAB Cc1cc(C)c(OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c(C)c1 100279451 NWZQXEHMRAUYMK-RTBURBONSA-N 316.397 3.639 0 40 DHAB CN(C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 101213904 JXMIXOSOCIMCNA-DLVXIWMQSA-N 323.521 3.843 0 40 DHAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1C 102599289 KVXCVEZZNMQOBZ-AVGNSLFASA-N 321.442 3.916 0 40 DHAB Cc1csc(C2=C(O)CN(CCC3=CCCCC3)C2=N)n1 102718703 INFSNRMDXKHFEY-UHFFFAOYSA-N 303.431 3.904 0 40 DHAB C[C@H](NC(=O)N[C@H](C1CCCC1)C(F)(F)F)c1ccccn1 185505856 AWHPOJNSSYPZRM-GXFFZTMASA-N 315.339 3.563 0 40 DHAB CCc1nnc(CSc2ccnc3c(OC)cccc23)s1 195571502 CFRIWLZYBNEMSZ-UHFFFAOYSA-N 317.439 3.950 0 40 DHAB COC(=O)c1cn(C(=O)Nc2ccccc2OC)c2ccccc12 222654788 DLGAVHDXPZFWAA-UHFFFAOYSA-N 324.336 3.517 0 40 DHAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cn1 225860303 DHYWWOASLMIDIL-UHFFFAOYSA-N 310.397 3.849 0 40 DHAB CCOc1ccc(NC(=O)C2(OC)CCCC2)c2cccnc12 225887813 IWCODXPFYZLVTQ-UHFFFAOYSA-N 314.385 3.531 0 40 DHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cnc(OC)c(C)c1 225904886 SXBRPYNBOCKRRP-QGZVFWFLSA-N 308.422 3.569 0 40 DHAB Cc1ccc(NC(=O)CCCn2cc(-c3ccccc3)cn2)nc1 227165316 IRALFLSQJMQZOW-UHFFFAOYSA-N 320.396 3.672 0 40 DHAB COC(=O)CCc1c(C)nc(-c2ccc(C)cc2)nc1Cl 584904595 LXMAGBCPVIXXTR-UHFFFAOYSA-N 304.777 3.519 0 40 DHAB O[C@H]1c2ccccc2OC[C@H]1NCc1cccc(CC2CCC2)c1 1560490596 BQHRBQZMIDXUOD-CTNGQTDRSA-N 323.436 3.613 0 40 DHAB CN1C(=O)c2c(sc3c2CCCC3)N[C@H]1c1ccc(O)cc1 213276 QIIFGBCQKDXNQK-OAHLLOKOSA-N 314.410 3.529 0 40 DHAB CN(C)Cc1c(-c2ccccc2)c(CN(C)C)n2ccccc12 1720406 AOJYEITZYSAMRO-UHFFFAOYSA-N 307.441 3.730 0 40 DHAB OCc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 2544966 HHRQZFFCJIQMTC-UHFFFAOYSA-N 302.736 3.824 0 40 DHAB CCc1cccc(C)c1NC(=O)COc1ccc(C(C)=O)cc1 2619562 QZLVYXZHYDYIKS-UHFFFAOYSA-N 311.381 3.778 0 40 DHAB CCCC[C@H](CC)CNC(=O)c1cc(OC)c(OC)c(OC)c1 3069678 AKAURMWIUDFUKN-ZDUSSCGKSA-N 323.433 3.659 0 40 DHAB C[C@@]12CCC(=O)C(O)=C1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 4533933 OSVMTWJCGUFAOD-XOBRJEKQSA-N 302.414 3.973 0 40 DHAB O=C1NCCc2c(OCc3ccc(Cl)c(Cl)c3)cccc21 4851198 FXFGDPHDFFBADL-UHFFFAOYSA-N 322.191 3.858 0 40 DHAB CCc1nc(NCCN(CC)CC)c2oc3ccccc3c2n1 5218820 FWQDORFQQQGUON-UHFFFAOYSA-N 312.417 3.692 0 40 DHAB CCc1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 5295049 UQFQOKNDFLTKDB-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB Nc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CN1CC1 5775571 QTYOMOPJHUMUQB-UHFFFAOYSA-N 309.800 3.953 0 40 DHAB O=C(COc1ccccc1Cl)NC1C2CC3CC(C2)CC1C3 5898740 JJSAZUXPKIXNNX-UHFFFAOYSA-N 319.832 3.660 0 40 DHAB Cc1ccc(N(C)C(=O)Nc2ccc3nccnc3c2)cc1C 6205621 OQGGDZCYMMMTNU-UHFFFAOYSA-N 306.369 3.915 0 40 DHAB CCc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 6811255 NLKLRWSLIWMNKE-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 7070609 VWIUTDZGBNCPQJ-UHFFFAOYSA-N 302.305 3.646 0 40 DHAB CCc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 8075981 QXOHILOOJJKJMT-UHFFFAOYSA-N 321.380 3.870 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1F 8083458 BCWXRLIVEMIZFV-UHFFFAOYSA-N 303.308 3.875 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 8976610 FHLMWHWAISMYSV-UHFFFAOYSA-N 300.358 3.593 0 40 DHAB O=C(O)CCCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 9058153 VYERFUFOIGVHFL-UHFFFAOYSA-N 309.671 3.552 0 40 DHAB CCOc1ccc([C@@H]2NC(=O)NC3=C2CCc2ccccc23)cc1 9334743 NDIQDMXOXZWFBW-SFHVURJKSA-N 320.392 3.797 0 40 DHAB Cn1ncc2c(NC(c3ccccc3)c3ccccc3)ncnc21 9532017 XPGJHASTVUWZOG-UHFFFAOYSA-N 315.380 3.565 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)c1 11214341 XKASBSVNUBTSKP-FQEVSTJZSA-N 309.409 3.950 0 40 DHAB CC(=O)c1sc(NC(=O)CCc2ccc(C)cc2)nc1C 11990520 LIDFUOZRGQSTMV-UHFFFAOYSA-N 302.399 3.534 0 40 DHAB Cc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1C 12475317 MKATXAVWSNVQPY-UHFFFAOYSA-N 307.353 3.651 0 40 DHAB O=[S@@](Cc1coc(-c2ccccc2)n1)Cc1ccccc1F 12857790 GTIQFRHKDWQFCU-QFIPXVFZSA-N 315.369 3.930 0 40 DHAB C[C@@H]1CCc2sc(C(=O)Nn3cnc4ccccc43)cc2C1 14196530 OVIPAAUOFSLWIK-LLVKDONJSA-N 311.410 3.607 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCCC3)cc1 20919403 WTASVVBKKUHQOW-UHFFFAOYSA-N 309.409 3.846 0 40 DHAB COc1ccc(SCc2cc(=O)c3cc(F)ccc3[nH]2)cc1 21099137 HEXKCCAUQJQIIW-UHFFFAOYSA-N 315.369 3.968 0 40 DHAB CC(C)c1ccc(NC2=NCC(=O)N2Cc2ccccc2)cc1 26438561 VBMYLDYTWBYFSP-UHFFFAOYSA-N 307.397 3.620 0 40 DHAB Cc1ccc([C@H](NC(=O)c2cccnc2)c2ccccc2)cc1 29882938 PLXBNQUMHVCNFQ-LJQANCHMSA-N 302.377 3.909 0 40 DHAB CCC(C)(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 32901776 MUHWHVPEWCOEFL-UHFFFAOYSA-N 305.809 3.753 0 40 DHAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(N(C)C)cc1 40069857 IHTMCNWXADQJBV-AWEZNQCLSA-N 312.413 3.594 0 40 DHAB O=C(Cc1ccccc1F)Nc1cccc(CN2CCCC2)c1 40086934 RKXYLNPUGABJBM-UHFFFAOYSA-N 312.388 3.603 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1F 44194830 DRIXEHUXZOYCQE-UHFFFAOYSA-N 312.316 3.921 0 40 DHAB O=C(COc1ccccc1Cl)NCCSC1CCCC1 46450411 YIVVHMAWGWNZDQ-UHFFFAOYSA-N 313.850 3.511 0 40 DHAB CN(CC(=O)NCCc1cccc2ccccc12)c1ccccc1 48313595 QVTRAXMUDQNYDK-UHFFFAOYSA-N 318.420 3.635 0 40 DHAB Cc1ccccc1[C@@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 48367494 HPTABZKQUXIJRO-SFHVURJKSA-N 319.408 3.569 0 40 DHAB O=C(NCc1ccc(Cl)s1)N[C@H]1C[C@@H]1c1ccccc1 49053642 COTZXGZYSXNKPO-OLZOCXBDSA-N 306.818 3.757 0 40 DHAB Cc1ccc(C)c(N(C)S(=O)(=O)c2ccccc2Cl)c1 49306596 OQTRVAZSYXYNOZ-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB COc1ccc(Cc2nnc(SCc3ccccc3)o2)cc1 57805824 UTFOMSYFSWVXNF-UHFFFAOYSA-N 312.394 3.961 0 40 DHAB O[C@H](COCc1cccs1)CN1CCC[C@@H]1c1ccsc1 58167350 KQJHYRJEUXJJMC-GOEBONIOSA-N 323.483 3.524 0 40 DHAB O=C(NCc1cnc2ccccc2c1)[C@@H]1CCCc2ccccc21 58172861 FNVPRUMXPQMOSA-LJQANCHMSA-N 316.404 3.971 0 40 DHAB CCCC(=O)Nc1ccc(CNCc2csc(CC)n2)cc1 58216928 AONKOVPGHJRXNY-UHFFFAOYSA-N 317.458 3.734 0 40 DHAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(Cl)c1N(C)C 58426321 FNLRKJBLCHOOSL-SECBINFHSA-N 321.808 3.753 0 40 DHAB CN(CCOc1ccc(F)cc1)C[C@H](O)c1ccccc1Cl 58562936 NMBSOZNGKRHKAZ-KRWDZBQOSA-N 323.795 3.523 0 40 DHAB CCOCC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 65611792 OCSPXPKJCAUQAT-UHFFFAOYSA-N 322.455 3.886 0 40 DHAB CCOc1ccc2nc(C)cc(SCCC(=O)OC)c2c1 67321030 JDYPUSGTSZDOTE-UHFFFAOYSA-N 305.399 3.597 0 40 DHAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccncc1 69452536 YQOBTXLNSSUFJZ-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB O=C(NNc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCC3 70716265 PCHIVPJPTVKZTM-UHFFFAOYSA-N 305.381 3.804 0 40 DHAB Cc1n[nH]c(N/C=C2/C(=O)Nc3ccccc32)c1-c1ccccc1 71284079 GPPWDWXLIRYXIJ-RVDMUPIBSA-N 316.364 3.790 0 40 DHAB COc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1OC 71760962 SOINXOUNLXEAFU-UHFFFAOYSA-N 324.352 3.791 0 40 DHAB COc1ccc([C@H]2CCCN2Cc2nccn2C(F)F)cc1 73136039 PCCBPSQIQGMXOM-CQSZACIVSA-N 307.344 3.624 0 40 DHAB CN1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 78578424 JIMIGUPCOVPMKW-OAHLLOKOSA-N 310.397 3.759 0 40 DHAB CC(C)(Oc1cccc(Cl)c1)C(=O)NC1CCSCC1 79032433 FRXWMDXOFMDHBG-UHFFFAOYSA-N 313.850 3.509 0 40 DHAB O=[S@](Cc1coc(-c2cccs2)n1)c1cccc(F)c1 83979137 JGZLESNSXWWPJM-FQEVSTJZSA-N 307.371 3.850 0 40 DHAB CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 95402461 SWYSHFYEMCJEEY-VCBZYWHSSA-N 316.489 3.892 0 40 DHAB O[C@@H](CN[C@H](Cc1ccccc1)C(F)(F)F)c1ccsc1 95422955 GGVVHUBONVPRLG-UONOGXRCSA-N 315.360 3.545 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(F)c(-n2cccc2)c1 95444924 TYSRPEKLZPPWAA-UHFFFAOYSA-N 313.336 3.600 0 40 DHAB Cc1oncc1C(=O)N(CCc1cccs1)Cc1ccco1 96025727 RDVYFCBZSWADTD-UHFFFAOYSA-N 316.382 3.523 0 40 DHAB c1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)cs1 96057905 VKGYERQRZKRVQD-RCCFBDPRSA-N 321.486 3.687 0 40 DHAB Cc1c(F)ccc(Br)c1I 97436570 GAVAKANTRHDIDC-UHFFFAOYSA-N 314.923 3.501 0 40 DHAB Cc1c(-c2ccccc2Cl)sc2c1CCN(CC(=O)O)C2 116359210 YVFRSHCETUMOLJ-UHFFFAOYSA-N 321.829 3.820 0 40 DHAB Cc1cccc(CCCNC(=O)COc2ccc(C)cc2C)c1 222826759 VGHQNHLPVPDOAT-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB Cc1cc(C)c(N(C)S(=O)(=O)c2ccc(F)cc2)c(C)c1 224917423 RQYYYKUPYBCXMU-UHFFFAOYSA-N 307.390 3.576 0 40 DHAB C[C@@H](COc1ccccc1)NC(=S)Nc1c(F)cccc1F 225783038 ATZJJRUPWSYWMF-NSHDSACASA-N 322.380 3.719 0 40 DHAB O=C(O)c1ccc(Cl)c(NC(=S)NC2CCCCC2)c1 408549476 UGDKGKCODSWYFR-UHFFFAOYSA-N 312.822 3.657 0 40 DHAB Cc1ccccc1COc1ccc(/C=C\C(N)=O)cc1Cl 409416271 WZCITBFOJYESNS-CLFYSBASSA-N 301.773 3.726 0 40 DHAB CN(C)[C@H](CNC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 575608603 ORLUAKQPPLQENK-GOEBONIOSA-N 312.413 3.508 0 40 DHAB Clc1ccc2c(-c3cccc([C@@H]4CCCNC4)n3)cnn2c1 585262816 IOAYJYRITFYHBR-GFCCVEGCSA-N 312.804 3.517 0 40 DHAB CCCCn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1784977 VROKGDVKCHRYIT-LLVKDONJSA-N 319.474 3.804 0 40 DHAB COc1cccc(CNC(=O)c2cc(F)c(F)cc2Cl)c1 2656073 YPINGYIMWSVQNS-UHFFFAOYSA-N 311.715 3.557 0 40 DHAB CC[C@H](C)SCC(=O)N1CCC(Cc2ccccc2)CC1 3258222 CSXYFVCMXISTFN-HNNXBMFYSA-N 305.487 3.999 0 40 DHAB O=Cc1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 4201618 ITRBSNUHBNECGF-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB O=C(OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1 4547851 LSDNYZKLTSRRSE-UHFFFAOYSA-N 318.372 3.666 0 40 DHAB Cc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1 4678457 UOSGXCZMXIAAAL-UHFFFAOYSA-N 309.344 3.787 0 40 DHAB C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccncc1 6125210 RBIDMVHEHIRYIM-JTQLQIEISA-N 309.196 3.808 0 40 DHAB Cc1[nH]c2ccc(C(=O)N3CCc4ccccc4C3)cc2c1C 6559107 RCFUXHPSZLQFOL-UHFFFAOYSA-N 304.393 3.983 0 40 DHAB c1csc(C2=Nn3c(nnc3C3CCCCC3)SC2)c1 6566381 FDVFJPJFPUXEGE-UHFFFAOYSA-N 304.444 3.745 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)c1sc(C)nc1C 7995406 XDHDSJDSURZNGZ-UHFFFAOYSA-N 310.806 3.983 0 40 DHAB Cc1sc2ncnc(Sc3nnc(C4CC4)o3)c2c1C 8198685 RRARLICRTNPTRL-UHFFFAOYSA-N 304.400 3.720 0 40 DHAB C[C@@H](NC(=O)CC1(C(=O)O)CCCC1)c1cc2ccccc2o1 8922371 AQGYYCHQBRLWBD-GFCCVEGCSA-N 315.369 3.645 0 40 DHAB O=C(NCCc1ccc(F)cc1)NCCc1cccc(Cl)c1 9868277 BULBGBAVSZRBKG-UHFFFAOYSA-N 320.795 3.564 0 40 DHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccsc1 12807645 RARQDHYLPIOXDX-UHFFFAOYSA-N 309.774 3.815 0 40 DHAB CCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C 12929908 MZOFSBJIVICOQO-UHFFFAOYSA-N 305.809 3.789 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)NCCc3ccco3)ccc2c1 12972191 KKRVHMNABDYTMQ-CQSZACIVSA-N 323.392 3.904 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 13012669 GJWVNCAEGZOABK-QWHCGFSZSA-N 301.386 3.590 0 40 DHAB COc1ccccc1-c1nnc(S)n1-c1ccc(C)cc1C 13533883 QKGOBPRRZNROTK-UHFFFAOYSA-N 311.410 3.848 0 40 DHAB O=C(NCc1ccccc1CN1CCCC1)OCc1ccccc1 14251063 QKOIHPJTQKTZOX-UHFFFAOYSA-N 324.424 3.709 0 40 DHAB CCCCc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1 15717395 MZNVIVYBPCNUNO-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB CN(C)[C@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C\c1ccccc1 17110330 OVQQEGZJIGLKBO-ONSUTHQWSA-N 321.420 3.861 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC 20050362 BVGBGQCLSDXWNO-CQSZACIVSA-N 313.397 3.812 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H]1c1ccccc1 21890366 PZZJWKAUKIQAOG-FDPSAONLSA-N 313.422 3.824 0 40 DHAB CC(=O)Nc1c(N)cc2c3c(cccc13)C(=O)c1ccccc1-2 22636396 MFDVPXTZYJATOG-UHFFFAOYSA-N 302.333 3.592 0 40 DHAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccccn3)c(C)c12 25666833 BMKABANWVHVYSK-UHFFFAOYSA-N 324.409 3.833 0 40 DHAB CCNc1nc(SCc2c(C)noc2C)nc2ccccc12 30342723 QBXDSQGTCVTGHK-UHFFFAOYSA-N 314.414 3.959 0 40 DHAB CC(C)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 31606183 KPGHYRZSNBCUIQ-UHFFFAOYSA-N 322.408 3.528 0 40 DHAB Cc1ccc(C(=O)NCc2csc(Br)c2)cc1 32923008 DBLZEXKFHNRIAE-UHFFFAOYSA-N 310.216 3.749 0 40 DHAB COc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 34388288 NWDOKCLMGXQUSA-UHFFFAOYSA-N 321.380 3.767 0 40 DHAB biogenic CCC[C@@H](C)NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 36124358 RLOTWPNJUFZWDQ-JKSUJKDBSA-N 302.462 3.837 0 40 DHAB Cc1ccc(OCCNC(=O)N(C)Cc2ccccc2)c(C)c1 40024955 FALJXNIJAGWUNJ-UHFFFAOYSA-N 312.413 3.524 0 40 DHAB CC(C)Cc1noc([C@H]2CCCCN2C(=O)C2CCCC2)n1 41123426 GRAGLFWRPXWQTP-CQSZACIVSA-N 305.422 3.512 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1ccc(-c2cnco2)cc1 47828267 DJIWXNSSOJWVID-UHFFFAOYSA-N 311.366 3.539 0 40 DHAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@H](C)c2cccnc2)c1 48242121 MTARYGDOUJFTKF-OLZOCXBDSA-N 318.804 3.688 0 40 DHAB CCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 48927582 WIFOCECMIXWOBY-UHFFFAOYSA-N 316.228 3.568 0 40 DHAB C[C@@H](Sc1nnc(N)s1)c1ccc(OC(F)(F)F)cc1 48987277 GEVQTJUJFQEERK-ZCFIWIBFSA-N 321.349 3.872 0 40 DHAB O=C(Nc1ccccc1N1CCCC1)c1ccc2nsnc2c1 57316117 OTWWCZARVCJUAG-UHFFFAOYSA-N 324.409 3.544 0 40 DHAB COc1ccccc1SCC(=O)N[C@H](C)c1ccccc1 60133476 ASXGPNRLPUXXDC-CYBMUJFWSA-N 301.411 3.665 0 40 DHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(F)cc1 60957766 YCZHBRQZKKZPRZ-UHFFFAOYSA-N 317.360 3.505 0 40 DHAB C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccn1 69559949 QMFKVQDGOPSCJX-OCCSQVGLSA-N 322.330 3.995 0 40 DHAB O=C(NCCCn1ncc2c(Cl)cccc21)c1cccs1 71196083 IYIWDYORHOJHEJ-UHFFFAOYSA-N 319.817 3.571 0 40 DHAB Cn1cc([C@H]2CCCN2C(=O)c2cc3ccccc3s2)cn1 71796956 FGMHDFSXWFPDSB-CQSZACIVSA-N 311.410 3.612 0 40 DHAB CC[C@H](C)[C@@H](C)NC(=O)Cc1nc(-c2ccsc2)oc1C 71862876 IVHBKWBGKOECSX-WDEREUQCSA-N 306.431 3.805 0 40 DHAB Cc1cc(C)n(-c2nc3cc(NC(=O)C(C)C)ccc3s2)n1 72229647 GPWDHGVBAMBWIZ-UHFFFAOYSA-N 314.414 3.693 0 40 DHAB Cc1nn(C)c(C)c1C(=O)N[C@H](C)Cc1ccc2ccccc2c1 72280470 FKGKHLCQFXVJHU-CYBMUJFWSA-N 321.424 3.551 0 40 DHAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)c1 72322135 BHLXYPVWBWEWHM-INIZCTEOSA-N 317.820 3.513 0 40 DHAB biogenic,in-vitro O=C(Nc1ncccc1O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 73407351 XINAGVMBRPGMPT-MNOVXSKESA-N 322.286 3.548 0 40 DHAB CN(C)c1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1 75157113 PLFKNDGGIKWJSQ-UHFFFAOYSA-N 314.454 3.834 0 40 DHAB O=C(Nc1cnc2ccccc2c1)[C@H]1CCOc2ccccc21 76775253 VLANLTLPVPWGLX-INIZCTEOSA-N 304.349 3.740 0 40 DHAB COc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)c(C)c1 83207099 OUNAIANXHFDVET-UHFFFAOYSA-N 316.382 3.695 0 40 DHAB COc1ccccc1NC(=S)N[C@@H]1C[C@@H]1c1cccc(F)c1 83982600 GXDBNFJWXGSQNJ-UKRRQHHQSA-N 316.401 3.677 0 40 DHAB CCOC(=O)c1ccc(NCC2(c3ccccc3)CCC2)nc1 84798582 MMUYZZDMPQGTAD-UHFFFAOYSA-N 310.397 3.792 0 40 DHAB CCn1nc(C)c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1C 89300206 JNINWQBYZQIMDN-FXAWDEMLSA-N 323.440 3.753 0 40 DHAB CC(=O)N1CCC(CCN[C@H](C)c2cc(C)cc(C)c2)CC1 95969186 VEFGWXSOAYTZJR-MRXNPFEDSA-N 302.462 3.603 0 40 DHAB CO[C@H]1CCN(Cc2nc(C)cs2)C[C@@H]1Cc1ccccc1 96110496 SFKXYWNJFIHWDZ-IRXDYDNUSA-N 316.470 3.531 0 40 DHAB C[C@@H]1CCCCN1C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 96192877 ILIJXMPPEXVRII-PXAZEXFGSA-N 320.820 3.624 0 40 DHAB O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H]1c1ccsc1 96418233 SYBVMKBBLCTUPQ-ZBFHGGJFSA-N 317.385 3.554 0 40 DHAB Cc1ncc([C@H](C)Nc2cccc(NC(=O)C(C)C)c2)c(C)n1 97037214 GRRABFBGDRZAMV-ZDUSSCGKSA-N 312.417 3.861 0 40 DHAB Fc1ccc(C2CC(N[C@H]3CCO[C@@]4(CCSC4)C3)C2)cc1 97084853 XNCHQZOMGUYQMN-STCOUPBVSA-N 321.461 3.716 0 40 DHAB COCc1ccccc1NC(=O)NC[C@H](C)c1nc(C)cs1 97113121 WJYSPKMCJLTBHI-NSHDSACASA-N 319.430 3.523 0 40 DHAB FC1=C(F)[C@]2(F)[C@H]3CC[C@@H](O3)[C@]2(F)C(Br)=C1F 104147569 GYYPJAYOWIUSLS-LSVHHXCASA-N 317.051 3.704 0 40 DHAB O=C(Cc1cccnc1)N1CCc2c(Cl)cc(Cl)cc2C1 195541318 SCNIARYBIODVDV-UHFFFAOYSA-N 321.207 3.516 0 40 DHAB Cc1ccc(CCC(=O)N[C@@H](C)COc2ccccc2)cc1C 223277218 WCJYBFOLWMXOIL-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB CC(C)CNC(=S)Nc1ccc(N2C[C@H](C)C[C@@H](C)C2)nc1 223878650 ALSOLKHYTUKDKS-ZIAGYGMSSA-N 320.506 3.506 0 40 DHAB Cc1cccc(OCCNC(=O)CCc2ccccc2F)c1C 223968078 KCIVSLOZUQWESD-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB CC(C)(C)OC(=O)NC[C@H]1CCCC(=O)[C@@H]1c1ccccc1 225751123 QRGRWLRFDOFXKK-GDBMZVCRSA-N 303.402 3.664 0 40 DHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)nc1C 225896551 ZBELNXCMIHWXSN-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB c1cnc2ccc(CN3CC[C@H](Cc4nccs4)C3)cc2c1 257301108 RXAGYVQUHXDIOI-OAHLLOKOSA-N 309.438 3.756 0 40 DHAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc(Cl)c1)C2 409197742 NSHDSSQOZNKNCL-UHFFFAOYSA-N 314.816 3.911 0 40 DHAB CCOc1ccc(O[C@H](C)c2nnc([C@@H]3CCCCO3)o2)cc1 521393795 DZPSQJSRHSFCNA-DOMZBBRYSA-N 318.373 3.850 0 40 DHAB CO[C@@]1(COc2ccc(F)cc2)CCN(C2CCCCC2)C1 1615140334 HWGAFQNILROONZ-SFHVURJKSA-N 307.409 3.628 0 40 DHAB COc1ccc(NC(=O)c2ccc(Br)o2)c(C)c1 484415 FIJFOCRBGBUNIF-UHFFFAOYSA-N 310.147 3.611 0 40 DHAB CC(C)(C)C1=Nn2c(nnc2-c2cccc(Cl)c2)SC1 530560 WVXPGQDTMWRRAY-UHFFFAOYSA-N 306.822 3.954 0 40 DHAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1 563612 HMKZYGSKJDGTNM-UHFFFAOYSA-N 311.381 3.995 0 40 DHAB c1ccc2c(Nc3c4c(nc5ncnn35)CCC4)cccc2c1 1326856 AMWLEYAHEIEQKG-UHFFFAOYSA-N 301.353 3.510 0 40 DHAB COc1ccccc1C[C@H](C)N[C@@H](C)Cc1ccccc1OC 1648449 SKVZMKWCURTNKK-HOTGVXAUSA-N 313.441 3.856 0 40 DHAB in-man Cc1nc(SCC(=O)c2c[nH]c3ccccc23)nc(C)c1C 2616387 LUZFDQXKTMEOCB-UHFFFAOYSA-N 311.410 3.858 0 40 DHAB O=C(OCCOc1ccccc1)c1cccc(OC(F)F)c1 3169904 IQWQEVKXACBTKS-UHFFFAOYSA-N 308.280 3.524 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)OCO2 3428107 QSDBSTLNKMFMCQ-UHFFFAOYSA-N 322.320 3.631 0 40 DHAB O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)CCCC2 5126490 MWTONMNOWXZDAH-UHFFFAOYSA-N 305.374 3.505 0 40 DHAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(Cl)cc1 5172853 MSTGPZXUKKLXKZ-ZSOIEALJSA-N 301.704 3.824 0 40 DHAB COc1cc2cc(C(=O)N[C@H](C)c3ccccc3)[nH]c2cc1OC 5346353 IJUZFGXQKNKGPA-GFCCVEGCSA-N 324.380 3.676 0 40 DHAB CCCC[C@H](CC)CNC(=O)c1ccc(Br)o1 6043128 HJMGFBAUQFTYAP-JTQLQIEISA-N 302.212 3.988 0 40 DHAB O=c1c(SCc2ccc(F)cc2)nccn1-c1ccccc1 6915188 JCTUMLIUFQRCKG-UHFFFAOYSA-N 312.369 3.664 0 40 DHAB Fc1ccccc1OCCSc1nc(-c2cccs2)n[nH]1 8230703 QDFSPVPLDLILBW-UHFFFAOYSA-N 321.402 3.843 0 40 DHAB Cc1ccnn1-c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 8241219 PYIARADJEKIXEB-UHFFFAOYSA-N 317.392 3.922 0 40 DHAB Cc1cc(C)c2nc(NC(=O)Cc3c(C)noc3C)sc2c1 8761834 DVERVIUQQDPSNC-UHFFFAOYSA-N 315.398 3.699 0 40 DHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)C1 9061968 RGQWKKSOOKGHHX-SECBINFHSA-N 322.257 3.722 0 40 DHAB CC[C@@H](C)NC(=O)CSc1cc(C)c2cccc(OC)c2n1 11907547 UVGKVFJPIMSLAQ-GFCCVEGCSA-N 318.442 3.559 0 40 DHAB COc1cccc(NC(=O)c2cc3ccccc3c(=O)s2)c1 12274427 OEHKCMGRTKNYKL-UHFFFAOYSA-N 311.362 3.522 0 40 DHAB COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 13649346 CNECLTJSULZNJH-INIZCTEOSA-N 311.381 3.727 0 40 DHAB COc1ccc([C@H](C)NC(=S)Nc2ccccc2)cc1OC 13932303 VJUYABMJBMOETL-LBPRGKRZSA-N 316.426 3.751 0 40 DHAB Brc1c(OC[C@@H]2CCCNC2)ccc2ccccc12 14631285 HCOXBKMTQNDQBU-GFCCVEGCSA-N 320.230 3.981 0 40 DHAB Cc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)sc2ccccc12 15603668 SCYYRGDBKNXATI-UHFFFAOYSA-N 323.377 3.632 0 40 DHAB CCOc1cccc(CNC(=O)[C@H](C)Sc2ccccc2)c1 20457430 SLGNYPBFVZSHDF-AWEZNQCLSA-N 315.438 3.882 0 40 DHAB Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2C[C@H]2C)c2ccccc2)cc1 20976076 WPZORLNZTXBGHQ-FHLIZLRMSA-N 323.392 3.874 0 40 DHAB CCCOc1ccccc1NC(=O)Cc1ccc(C)c(OC)c1 22356364 HGQGJZZRAYJGHB-UHFFFAOYSA-N 313.397 3.974 0 40 DHAB CC(=O)c1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1 31872026 GSSSJISWZUGZAW-UHFFFAOYSA-N 303.308 3.739 0 40 DHAB O=C(/C=C/c1ccccc1)NCc1cccc(CN2CCCC2)c1 32461957 SPYDAAFTGVGMJV-VAWYXSNFSA-N 320.436 3.612 0 40 DHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 32870379 LYGAZZRAEYPMRP-UHFFFAOYSA-N 307.353 3.969 0 40 DHAB O=C(NCc1ccccc1F)c1cnc(-c2ccccc2)s1 32930039 POBPGXIATDMCBW-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@H](C)C2)s1 36047907 JUCCQOFXCPGYHH-NSHDSACASA-N 320.483 3.981 0 40 DHAB CN(Cc1nc(Cc2ccccc2)no1)[C@@H]1CCc2ccccc21 40153524 XVZUDRUGBJEOBK-GOSISDBHSA-N 319.408 3.780 0 40 DHAB COc1ccc(C)cc1CC(=O)N[C@@H](C)Cc1ccccc1C 40155940 HZEZSRYHLJNRAJ-INIZCTEOSA-N 311.425 3.602 0 40 DHAB NNc1nc2ccccc2nc1SCc1ccc(Cl)cc1 40478912 PBHDSVVAYKXXTC-UHFFFAOYSA-N 316.817 3.861 0 40 DHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cccnc1 40493280 DXDBAZZDVHSCLM-UHFFFAOYSA-N 317.820 3.504 0 40 DHAB Cc1ccc(NC(=O)NCCCCN2CCC[C@H](C)C2)c(C)c1 45950351 DVBGIHOQNNXRLR-INIZCTEOSA-N 317.477 3.937 0 40 DHAB COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1F 46729879 JFDQEWSAOCTHIJ-UHFFFAOYSA-N 317.360 3.552 0 40 DHAB O=C(O)c1ccccc1Nc1ncnc2sc3c(c12)CCC3 49750243 XDZUVWNHMMLWDJ-UHFFFAOYSA-N 311.366 3.622 0 40 DHAB CN(C(=O)C1=NO[C@H](c2ccccc2)C1)[C@@H]1CCc2ccccc21 54365675 SFIFAMLYYDJCIO-MOPGFXCFSA-N 320.392 3.650 0 40 DHAB COCc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 65610936 BACZEWCNPAJJSA-HZPDHXFCSA-N 315.438 3.623 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1 66324204 OYMZUMNATVNKDA-UHFFFAOYSA-N 324.380 3.996 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2c(F)cccc2F)ccc1F 66489041 WWGRDKGNQMCHPQ-UHFFFAOYSA-N 324.258 3.535 0 40 DHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1CC(C)(C)C 71845472 ZPBGCVMHYDNRFS-IUODEOHRSA-N 305.466 3.568 0 40 DHAB CNc1cc(C)nc(-c2ncc(C(F)(F)F)cc2Cl)n1 72120029 WKNFLTDZVMEARD-UHFFFAOYSA-N 302.687 3.561 0 40 DHAB Cc1nc2cc(NC(=O)Nc3cccnc3Cl)ccc2n1C 76089481 GCDHFIATHUBCQR-UHFFFAOYSA-N 315.764 3.574 0 40 DHAB C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)c2ccccc21 80082505 HCPBFOUKIOORGR-ZDUSSCGKSA-N 303.365 3.841 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)COc2ccc(Cl)cc2)cc1 82087221 RSMHVPCSUAUKSG-ZDUSSCGKSA-N 303.789 3.846 0 40 DHAB CCSc1ccc(Cl)cc1C(=O)NCc1cc(CC)no1 84113280 XMINDXOKTMORJP-UHFFFAOYSA-N 324.833 3.932 0 40 DHAB Nc1ccccc1-c1nc(-c2ccccc2OC(F)F)no1 89262368 WMWBXXORANCUSQ-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB CCOCc1cccc(NCc2c[nH]nc2-c2cccnc2)c1 95429001 CQDXYVNWXQWVJT-UHFFFAOYSA-N 308.385 3.620 0 40 DHAB O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)C(F)(F)F 96411062 HGTUXKZZRJNRHC-GXTWGEPZSA-N 319.298 3.505 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1CCCC1=C1CCC[C@@H]12 100548589 IXKILPKLNITMJR-XSLAGTTESA-N 307.393 3.703 0 40 DHAB CN(C(=O)c1ccc(N2CC=CC2)cc1)c1ccc(F)c(F)c1 101184282 BWIFTTQCVNVRNO-UHFFFAOYSA-N 314.335 3.618 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc(F)cc3[nH]cnc13)C2 107338684 KKAVRYQAHCOQJY-KCJDHBRGSA-N 315.392 3.647 0 40 DHAB Cc1cccnc1[C@@H](NC(=O)NC1Cc2ccccc2C1)C(C)C 186569567 FUIRIANZTVWKQL-SFHVURJKSA-N 323.440 3.554 0 40 DHAB OCCc1ccc(OCc2ccccc2Br)cc1 199744535 IPTQMRIEYPNQEU-UHFFFAOYSA-N 307.187 3.563 0 40 DHAB CC(C)(C)CC(C)(C)NC(=O)CCc1ccc2c(c1)OCCO2 218973327 NYWGKMNLUYQZSW-UHFFFAOYSA-N 319.445 3.721 0 40 DHAB COc1cccc(OCC(=O)N[C@H](C)c2ccc(C)cc2C)c1 222792322 FTINOZGTRDXVJD-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB Clc1ncnc2nc(-c3ccccc3Br)cnc12 225740861 DJTBDPLJBCTXAM-UHFFFAOYSA-N 321.565 3.503 0 40 DHAB O=C(NCCc1ccccc1)c1ccc2nc(Cl)sc2c1 225977247 LILHAWCOWFDDTI-UHFFFAOYSA-N 316.813 3.922 0 40 DHAB CN(C)c1ccc(NC(=O)c2cccc3ccccc23)cc1N 226263235 CDBJGDHEAKOQMX-UHFFFAOYSA-N 305.381 3.740 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2ccc(N)c(C)c2)c(C)c1 226272311 JFMXKCUEFSNIQB-UHFFFAOYSA-N 311.429 3.984 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(CNc3cnccn3)c2)cc1 301112559 VZSJCOUPHHDZCI-UHFFFAOYSA-N 318.380 3.649 0 40 DHAB Cc1ccc(S(=O)(=O)C(=O)c2ccc(C)cc2Cl)cc1 409204498 HGJNQEFHYFOKIV-UHFFFAOYSA-N 308.786 3.571 0 40 DHAB Cc1ccc([C@@]2(C(=O)O)CCCN(Cc3ccccc3)C2)cc1 514250861 QEIKBFNVOBKPEO-HXUWFJFHSA-N 309.409 3.613 0 40 DHAB CC[C@@H](C)N1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 585100196 HLMHPFIYXBXSAN-XLIONFOSSA-N 314.473 3.832 0 40 DHAB Nc1cccc2cc(Br)c(Br)cc12 642882526 IDPOKIWMEWLNKK-UHFFFAOYSA-N 300.981 3.947 0 40 DHAB COc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 217178 REUVKZNWGXCQKT-UHFFFAOYSA-N 318.376 3.803 0 40 DHAB COc1ccc(NC(=O)c2cccc(OC)c2OC)cc1Cl 496471 FEUVGOXMFNEQHP-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB CCn1c(=S)sc2c(OC)nc(-c3ccccc3)nc21 1424363 VDDROWYKSGWTKN-UHFFFAOYSA-N 303.412 3.918 0 40 DHAB Cc1cccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)c1 2416120 BURRIWVEOOUTMO-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB CCc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)cc1 2692835 DZMBNIBIQISFBP-UHFFFAOYSA-N 324.359 3.530 0 40 DHAB C[C@H](NC(=O)COC(=O)CCC1CCCCC1)c1ccccc1 3361621 JCVLFRKXSJQDFY-HNNXBMFYSA-N 317.429 3.768 0 40 DHAB Cn1ccnc1SCC(=O)c1ccc2c(c1)-c1ccccc1C2 5358760 LOIVELDHNKKHBQ-UHFFFAOYSA-N 320.417 3.966 0 40 DHAB O=C(Oc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl 5577292 MPZRKTOTERFSRZ-UHFFFAOYSA-N 311.120 3.941 0 40 DHAB C[C@@H](OC(=O)Cn1cnc2ccccc21)c1ccccc1Cl 7735063 WMYFCXFHMUFZOP-GFCCVEGCSA-N 314.772 3.994 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCSC(C)(C)C)c(C)c1 8479731 NHEYXJHGAHBYKB-AWEZNQCLSA-N 309.475 3.719 0 40 DHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C)cc1C)c1cccs1 8751385 PEJYNACMCJRBDZ-HNNXBMFYSA-N 316.426 3.571 0 40 DHAB CCOc1cc(C(=O)Nc2ccccc2O)ccc1OC(F)F 9502028 IMZUBHZEORJMEW-UHFFFAOYSA-N 323.295 3.645 0 40 DHAB CCOC(=O)c1cccc(NC(=S)Nc2ccccc2)c1C 10113675 IZVCWNSMGSOKGD-UHFFFAOYSA-N 314.410 3.981 0 40 DHAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(C)no3)n2)c1 11027350 OJAOYMUJVZCNAG-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB CC[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc(F)cc1 12147320 CCCJMUMHXVPJGK-OAHLLOKOSA-N 315.392 3.699 0 40 DHAB O=c1nc2n(c3ccccc13)CC/C2=C/c1ccccc1Cl 12416254 OLKCHWLAGWSFBX-QBFSEMIESA-N 308.768 3.994 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ccccc21 12878970 HFAHXYGPWNEARM-YVEFUNNKSA-N 315.800 3.911 0 40 DHAB Cc1ccc2cc(CNCCCc3ccccc3)c(=O)[nH]c2c1C 13566553 KGUZCEFNPHTWBF-UHFFFAOYSA-N 320.436 3.867 0 40 DHAB Cc1cccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c1 13671574 MHWIQWCTPLXIAG-UHFFFAOYSA-N 308.425 3.915 0 40 DHAB Cc1ccc([C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1 14576912 DRAQQGCHUODDNB-SFHVURJKSA-N 306.365 3.811 0 40 DHAB COc1cc(CCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1 15577769 QVOGQDSJQWJMLS-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB O=C(CSCc1ccc(F)cc1)NCCCc1ccccc1 20045443 VZFVQQIDDFJCII-UHFFFAOYSA-N 317.429 3.808 0 40 DHAB CC(C)Oc1ccc([C@@H](CCN2CCN(C)CC2)C(C)C)cc1 20589781 VQJJGCNIZPNNAP-FQEVSTJZSA-N 318.505 3.851 0 40 DHAB CC1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 25707242 KLAIEKJUTPVOLL-UHFFFAOYSA-N 313.422 3.851 0 40 DHAB O=C(NCc1ccccc1COc1ccccc1)c1cccnc1 30186930 XJPXQCYTIJRLMU-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB Cc1c(C(=O)N2CCOc3ccccc32)oc2c(F)cccc12 30577220 LOWAHULNTCEVRX-UHFFFAOYSA-N 311.312 3.920 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c1C 30847831 FAWRATINWYJJIG-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB O=C(O)c1cc2c(-c3cccs3)nn(-c3ccccc3)c2[nH]1 32004947 SNGFLOUUUXUTBU-UHFFFAOYSA-N 309.350 3.780 0 40 DHAB Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2 32870861 MYKIFDCHADMQDM-UHFFFAOYSA-N 311.381 3.835 0 40 DHAB C[C@H]1CN(C(=O)/C=C/c2cccc(Cl)c2Cl)[C@@H](C)CO1 36395334 KPDZZCIWAPVQEJ-JYLGIWJRSA-N 314.212 3.642 0 40 DHAB CCC(=O)Nc1cc(NC(=O)c2ccccc2OC)ccc1C 36567124 SJJXMMHFPMSEOS-UHFFFAOYSA-N 312.369 3.604 0 40 DHAB O=C(CCN(Cc1ccco1)C1CC1)Nc1ccccc1Cl 37176486 LYKOQBZCXSKJDW-UHFFFAOYSA-N 318.804 3.926 0 40 DHAB COc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cn1 40034751 CAZQJUVJXKDTBJ-UHFFFAOYSA-N 317.698 3.770 0 40 DHAB COCc1cccc(C(=O)N2CCCc3cc(F)cc(F)c32)c1 40139055 XRRWFXYGLSXBSX-UHFFFAOYSA-N 317.335 3.704 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1Cl 40526886 MJLFYLMIKSSYTM-SNVBAGLBSA-N 309.797 3.562 0 40 DHAB O=C(c1ccnc(NC2CC2)c1)N1CCC[C@@H]1Cc1ccccc1 58423387 AJAUHMBKOSCKJL-GOSISDBHSA-N 321.424 3.503 0 40 DHAB COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(C)=O)cc1 64274552 FTOIWYJPOAQDJG-SFHVURJKSA-N 312.344 3.532 0 40 DHAB CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl 65567745 RLJPSZNSGVSBPV-HNNXBMFYSA-N 322.767 3.676 0 40 DHAB Cc1nc(SCC(=O)c2ccc(OC(F)F)cc2)oc1C 71793472 WHVAHDTWPNPNBC-UHFFFAOYSA-N 313.325 3.868 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Cl)nc2)s1 71883148 IMZJGZAMPKFKBU-VIFPVBQESA-N 309.822 3.642 0 40 DHAB Cc1noc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 72300842 OZHUAHUYZJWBLH-CYBMUJFWSA-N 316.401 3.995 0 40 DHAB CCc1noc([C@@H]2CCCCN2Cc2cc(F)cc(F)c2)n1 72329919 DTCMCTSEIXQZHY-AWEZNQCLSA-N 307.344 3.637 0 40 DHAB O=C(Nc1ccc(Br)cc1F)N1C[C@H]2CCC[C@@H]21 75110190 NXFNZAGHQTVHKC-PELKAZGASA-N 313.170 3.604 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)c1nc(C)n2c1CCCC2 78985010 OXHGJEGPXIRCPF-UHFFFAOYSA-N 303.793 3.742 0 40 DHAB Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1C[C@H](C)Sc2sccc21 90227306 YLAKEFZLIBJFOP-TVYUQYBPSA-N 320.487 3.698 0 40 DHAB CO[C@H](CN[C@H](C)c1cnc(C)nc1C)c1ccccc1Cl 90453403 JRVXACUDALASGE-PIGZYNQJSA-N 319.836 3.785 0 40 DHAB O=C([C@H]1SCCc2sccc21)N1CC[C@H](c2ccco2)C1 95403540 BQVLJUDQVWDOPC-NHYWBVRUSA-N 319.451 3.688 0 40 DHAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc(C(C)(C)C)cc1 95748931 BBLQLQNIDJOGBJ-CYBMUJFWSA-N 307.390 3.635 0 40 DHAB COc1cc(C(=O)c2cccc(C)c2C)cc(OC)c1OC 95916803 JSKNSUAINNHOST-UHFFFAOYSA-N 300.354 3.560 0 40 DHAB CC(C)(O)[C@@H]1CCCN1Cc1csc(-c2ccc(F)cc2)n1 95978821 SASGBDYPFVGVTD-HNNXBMFYSA-N 320.433 3.685 0 40 DHAB CC[C@H](NCc1nc(-c2cccs2)no1)c1c(C)noc1C 96013923 YRRVDUKYCSYYPH-NSHDSACASA-N 318.402 3.644 0 40 DHAB Cc1nc(CNCc2c[nH]nc2-c2cc3ccccc3o2)cs1 97159959 KSBMAKUMELIHGE-UHFFFAOYSA-N 324.409 3.878 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102194175 SIRDUEBANVXGRZ-WGMGUUHVSA-N 301.430 3.785 0 40 DHAB c1csc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)c1 107751967 JHDIDDVJHZMBTB-MSOLQXFVSA-N 321.486 3.546 0 40 DHAB Cc1ccc(C)c(-n2ncc(N[C@H](C)c3nnc(C)o3)c2C)c1 126679487 DTHKUWVCENJRBO-GFCCVEGCSA-N 311.389 3.662 0 40 DHAB CCCNC(=S)Nc1ccc(Nc2ccccc2C)nc1 223872513 QYSPZJWDOFXGGN-UHFFFAOYSA-N 300.431 3.830 0 40 DHAB CSc1cccc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 225602745 WQOLOIBWBQIWKN-UHFFFAOYSA-N 311.403 3.657 0 40 DHAB CO[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1ccccc1F 643913547 BDYLRHWYCCUHJI-IRXDYDNUSA-N 320.433 3.504 0 40 DHAB CCOC(=O)c1cc(-c2cc(Cl)ccc2C(=O)O)n(C)c1C 725239658 TWRUFMLJKZXBRI-UHFFFAOYSA-N 321.760 3.529 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)N1CC2(CC(c3ccccc3)C2)C1 1775970237 ISKBSFDUBZEFOZ-MRXNPFEDSA-N 321.420 3.860 0 40 DHAB Cn1cc(-c2nc(Cl)cc(-c3ccc(Cl)cc3)n2)cn1 1857793078 DEHKCXQEXPQWPM-UHFFFAOYSA-N 305.168 3.851 0 40 DHAB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 133581 VVQVJJNBRNRQMB-FOWTUZBSSA-N 305.381 3.607 0 40 DHAB COc1ccc(C(=O)[C@H](CN2CCCC2)c2ccccc2)cc1 346096 AUKJZULEGLNIQI-LJQANCHMSA-N 309.409 3.758 0 40 DHAB c1ccc2c(c1)Cc1c-2nc2ccccc2c1N1CCOCC1 1578744 QUWSPHYPUUGZOZ-UHFFFAOYSA-N 302.377 3.643 0 40 DHAB Cc1c(Cl)c2ccccc2n1S(=O)(=O)c1ccccc1 1633579 QIULZNQRTYZHHA-UHFFFAOYSA-N 305.786 3.840 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)c(O)c1 2635859 YTQNWCQRSGMKAA-UHFFFAOYSA-N 305.761 3.680 0 40 DHAB CC(=O)C[C@@H](Oc1cc(=O)oc2ccccc12)c1ccccc1 3149498 DSLGERLULZKSMC-QGZVFWFLSA-N 308.333 3.892 0 40 DHAB COc1ccc(NC(=O)c2cc(OC)nc3ccccc23)cc1 3173709 FNPBNDRZKBDBSS-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](NC(C)C)c2ccccc2)c1 3327453 ZVCFTISUVIHEQX-GOSISDBHSA-N 310.397 3.567 0 40 DHAB CCOc1cc([C@H]2NN=C(c3ccc(C)cc3)S2)ccc1O 4577317 OSJBTRFRWZKZJC-KRWDZBQOSA-N 314.410 3.796 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccccc2F)cc1OC 4681321 MDTIGBBEBNETBE-UHFFFAOYSA-N 303.333 3.875 0 40 DHAB COC(=O)[C@H]1CC[C@H]2[C@H]3CCCC[C@H]3CC[C@H]2[C@]1(C)C(=O)OC 5732152 UCYFCORFZAJVNQ-RVFCIVCOSA-N 322.445 3.581 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 7403946 SVOSKLNRZVZULL-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C 7612502 SMRMIMOLXZDOGK-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB C[C@H]1CC2=C(C(=O)O1)[C@H](c1ccccc1)Nc1ccccc1N2 8684108 YBSLINJTEXAWIR-SGTLLEGYSA-N 306.365 3.855 0 40 DHAB O=C(NCCc1ccccc1)[C@@H](Cc1ccccc1)n1cccc1 8904911 IWAAZGNCICEKKZ-HXUWFJFHSA-N 318.420 3.631 0 40 DHAB O=C(Nc1nnc(CSc2ccccc2)o1)c1ccccc1 10689649 DPQDEXQKEXXZBY-UHFFFAOYSA-N 311.366 3.614 0 40 DHAB c1ccc(Cn2cccn2)c(CNc2ncnc3ccsc23)c1 14076634 LXLOQSMQXNFDLG-UHFFFAOYSA-N 321.409 3.548 0 40 DHAB CC[C@H]1CCc2sc(C(=O)N[C@H](C)[C@@H]3CCCO3)cc2C1 16605541 SZSDGYOOFLKRNZ-DYEKYZERSA-N 307.459 3.560 0 40 DHAB O=C1C[C@H](c2ccccc2O)Cc2c1cnn2-c1ccc(F)cc1 17055972 NYWVUKAVZBNGFY-GFCCVEGCSA-N 322.339 3.630 0 40 DHAB NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 20154544 NRYRQGFICFXMQR-UHFFFAOYSA-N 303.774 3.804 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 20485619 MIMTZFYZZJANBE-KGLIPLIRSA-N 301.361 3.779 0 40 DHAB Cc1cccc2c1Sc1ccccc1C[C@@H]2N1CCNCC1 22461033 CXNCKSONHZEPNL-KRWDZBQOSA-N 310.466 3.649 0 40 DHAB Cc1ccc(C(=O)Oc2ccc3c(C(C)C)cc(=O)oc3c2)cn1 23448396 FYXYEFRVIXYENA-UHFFFAOYSA-N 323.348 3.839 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)c2c(C)noc2C(C)C)c1 29075087 ANTVMGKVEFGUFU-UHFFFAOYSA-N 315.373 3.707 0 40 DHAB O=C(Nc1ccc(N2CCCC2)nc1)[C@@H]1CCCc2ccccc21 32760227 BIXYTWCSKKQYNK-GOSISDBHSA-N 321.424 3.740 0 40 DHAB Cc1ccc(OCCSc2nc(N)c3ccsc3n2)cc1 32841106 IPWDLGRLAOSHNZ-UHFFFAOYSA-N 317.439 3.753 0 40 DHAB CCOc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1OC 33668971 XYFIDUDUBIFUHQ-UHFFFAOYSA-N 321.760 3.705 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)N[C@H]1CCCc2ccccc21 42959155 JQQUZNBQTBVPFG-KRWDZBQOSA-N 313.401 3.510 0 40 DHAB COc1ccc(CNC(=O)c2ccc(C(C)C)cc2)c(OC)c1 43747261 YZTBXBHGKWFSAU-UHFFFAOYSA-N 313.397 3.757 0 40 DHAB Fc1ccc(OCc2csc(-c3ncccn3)n2)c(Cl)c1 48345485 NATMQAZFOKUWCN-UHFFFAOYSA-N 321.764 3.972 0 40 DHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCCC1 54562983 JJNGALOUKHCZPA-UHFFFAOYSA-N 304.777 3.550 0 40 DHAB Nc1ccc2nc(SCC(=O)c3ccc(O)cc3)sc2c1 59417590 JIOKNFHUDROMLT-UHFFFAOYSA-N 316.407 3.559 0 40 DHAB CCSc1ccc(C(=O)Nc2c(C)nn(C(C)C)c2C)cn1 68756574 QJQIGXRCRRBTDM-UHFFFAOYSA-N 318.446 3.840 0 40 DHAB Cc1ccccc1CC(=O)NCCc1coc(-c2ccccc2)n1 69538788 WIKSNLNLYUEIKN-UHFFFAOYSA-N 320.392 3.551 0 40 DHAB CCCCCC[C@H](CC)C(=O)NC1CCN(C(=O)C2CC2)CC1 69950019 QWHMYYFHCISIEG-HNNXBMFYSA-N 322.493 3.500 0 40 DHAB C[C@@H](Sc1cccs1)C(=O)N1CCc2sccc2C1 71910001 FAHZWWQQPSJAJP-SNVBAGLBSA-N 309.481 3.875 0 40 DHAB CCCN1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214499 IBWUMXOEODCTMY-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB Cc1ccc(-c2noc(-c3c[nH]c4ccc(F)cc4c3=O)n2)cc1 75352738 YIGFBTRDMQQCKG-UHFFFAOYSA-N 321.311 3.693 0 40 DHAB O=C(Cc1c(F)cccc1F)N1CC[C@@H](c2ccccc2)C1 87209939 KRVZKTUHBRUFMA-CQSZACIVSA-N 301.336 3.523 0 40 DHAB Cc1cccnc1[C@H](NCc1c(C)nn(C)c1Cl)C(C)C 89700491 NYEZJLZTBLPLIG-CQSZACIVSA-N 306.841 3.572 0 40 DHAB Cc1nnc(-c2ccccc2C(=O)Nc2cccc(Cl)c2)o1 89736434 RNGBEDHTCKSJMO-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB O=C(c1ccc2cc[nH]c2c1)N1CCc2c([nH]c3ccccc23)C1 89916763 JVXPFOAORWNSFS-UHFFFAOYSA-N 315.376 3.848 0 40 DHAB biogenic Cc1noc(C)c1CNC(=O)N[C@H](c1cccs1)C(C)C 95955167 MEMWVENQEJBVNI-AWEZNQCLSA-N 307.419 3.549 0 40 DHAB CC(C)N(C)[C@@H]1CCN(Cc2ccco2)[C@H]1Cc1ccccc1 96061656 OEYBVMNIVDWPJA-UXHICEINSA-N 312.457 3.805 0 40 DHAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3C)cc2)C1 96122422 USOJAPLJQZGZLE-SFHVURJKSA-N 324.424 3.863 0 40 DHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCCCC2)cc1 100450287 MMZKXUHMCCLEBY-QRQLOZEOSA-N 312.457 3.591 0 40 DHAB COc1cccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225099557 AUNHXTGLLDUSRW-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@@H](O)CN1CCCCCC1)C2 226625326 XSERORFSPSIMSS-DMUMMCEESA-N 323.521 3.845 0 40 DHAB CCc1cccc2c1OCC[C@H]2NC(=O)C(C)(C)c1cccnc1 332198645 ZYYLBERLEMSPRH-QGZVFWFLSA-N 324.424 3.562 0 40 DHAB Cc1nc(CC2CC2)oc1C(=O)N1CCC[C@@H](c2ccccc2)C1 562121127 WCZFZOWKAGJFEQ-QGZVFWFLSA-N 324.424 3.955 0 40 DHAB CC(C)(C)n1nc2c(c1NC(=O)Cc1ccccc1)CSC2 189407 YDKUFDGAUHDASR-UHFFFAOYSA-N 315.442 3.566 0 40 DHAB Cc1ccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)cc1C 252036 DXLKWSGKISRBOK-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB CCN(CC)c1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 329664 HKOILBCQRPQYMT-QGZVFWFLSA-N 324.468 3.823 0 40 DHAB O=c1cc(-c2ccccc2)sc2nnc(-c3ccccc3F)n12 1425166 YOCHRFSAAVALSE-UHFFFAOYSA-N 323.352 3.624 0 40 DHAB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1OC 2213932 MEVOPXDUXCKJAO-QWHCGFSZSA-N 307.390 3.551 0 40 DHAB O=C(CSc1ccc(F)cc1)NCCSc1ccccc1 3104382 YWNPBMVEOXMMSG-UHFFFAOYSA-N 321.442 3.826 0 40 DHAB CCc1nnc2c(Nc3ccc(OC)cc3)nc3ccccc3n12 4414179 QDWBGOSHHOYTLV-UHFFFAOYSA-N 319.368 3.592 0 40 DHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C(F)(F)F 5083803 RLTMIOBTCLBLSA-UHFFFAOYSA-N 311.288 3.564 0 40 DHAB N#C/N=c1\snc(-c2ccccc2)n1-c1ccc(Cl)cc1 5338528 ZMZOIVNQZHBVNR-SDXDJHTJSA-N 312.785 3.636 0 40 DHAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1cc[n+]([O-])cc1 6559889 WWYKQHQKWOGODQ-UHFFFAOYSA-N 313.397 3.591 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1C 7307983 LSTODLBTWLMOJS-MRXNPFEDSA-N 317.454 3.960 0 40 DHAB C[C@@]1(C2CC2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 9389333 LHSIYTBGIKHMJU-FQEVSTJZSA-N 320.392 3.574 0 40 DHAB O=C(NCCCn1ccc2ccccc21)c1ccc2c(c1)CCC2 9470949 SIAPOSSGFYUJLK-UHFFFAOYSA-N 318.420 3.950 0 40 DHAB CC(=O)Nc1cccc(C(=O)N[C@H](c2cccs2)C(C)C)c1 9952761 TUXOTYDUTXFNGW-INIZCTEOSA-N 316.426 3.834 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CC1 11899731 LLYOFWUQMPQZRZ-UHFFFAOYSA-N 317.791 3.870 0 40 DHAB c1coc([C@@H](CNc2ncnc3ccccc23)N2CCCCC2)c1 14165418 MGADAHVNGBYYMX-QGZVFWFLSA-N 322.412 3.862 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 14398954 LDHFTGJBAJFCJH-IAGOWNOFSA-N 311.425 3.900 0 40 DHAB CCOc1ccc(C(=O)NCCSc2ccccc2)cc1 18214495 XSJCDCNPLUPWKZ-UHFFFAOYSA-N 301.411 3.607 0 40 DHAB CC1CCN(c2nc(-c3ccncc3)cc3ncccc23)CC1 19496973 VMYCYYCCYQAHFV-UHFFFAOYSA-N 304.397 3.928 0 40 DHAB CCCN1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19738900 VZTIUOZUOCIJIZ-ZDUSSCGKSA-N 319.836 3.841 0 40 DHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccco1 20045774 KMCQSWCQYZJBDN-SFHVURJKSA-N 309.365 3.907 0 40 DHAB CC(C)OC(=O)C[C@@H](NC(=O)C1CCC1)c1ccccc1Cl 21972082 HPTKWRCXIJUHPU-OAHLLOKOSA-N 323.820 3.639 0 40 DHAB Cc1cc(C(=O)NCc2ccccc2OC(F)F)sc1C 22373536 LPNPZNGVVNDJCT-UHFFFAOYSA-N 311.353 3.896 0 40 DHAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc(C)no2)cc1 24393548 FYLZNRLTMWASBK-MRXNPFEDSA-N 314.385 3.749 0 40 DHAB CCc1c(C(=O)N2CCCCC2)cnn1-c1cccc(Cl)c1 24477725 CJFYMKLDEKENIL-UHFFFAOYSA-N 317.820 3.714 0 40 DHAB COCc1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 25334457 POGMXCLFWWGORM-UHFFFAOYSA-N 305.761 3.747 0 40 DHAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1CCCO1 27915863 OCHGZSSXASSKEB-RDTXWAMCSA-N 311.381 3.776 0 40 DHAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Cl)s1 32825801 TWPMBUKRBJPYBU-MRVPVSSYSA-N 319.810 3.580 0 40 DHAB CC1=C([N+](=O)[O-])[C@H](C(Cl)(Cl)Cl)Oc2ccccc21 34929372 LOBRWRSKBZDJCS-SNVBAGLBSA-N 308.548 3.826 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCc2ccccc2C1 38771915 UFGYNXAYHFHMOK-GOSISDBHSA-N 309.409 3.737 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 44106476 ICZCCWMCMNRIRH-WFASDCNBSA-N 303.406 3.735 0 40 DHAB Cc1cc(-c2ccc(/C=C/C(N)=O)o2)cc(C)c1Br 45888723 DBUWUTWZDOZVLB-GQCTYLIASA-N 320.186 3.824 0 40 DHAB C[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1 48681201 BSUNDJGHAJTPRZ-ZDUSSCGKSA-N 312.804 3.772 0 40 DHAB COCCn1c(-c2cnn(-c3ccccc3)c2)nc2ccccc21 48880429 NTIYPQJAPWYXAN-UHFFFAOYSA-N 318.380 3.535 0 40 DHAB CCOc1ccccc1OC1CCN(C(=O)[C@@H](C)CC)CC1 55623045 YMOLLWZDFAGTQE-AWEZNQCLSA-N 305.418 3.501 0 40 DHAB O=C(NCc1ccc(OCc2ccccn2)cc1)c1cccs1 55649645 AJRNWBQWUZCMBD-UHFFFAOYSA-N 324.405 3.652 0 40 DHAB CC(C)OCCCNC(=O)Cc1ccc(-c2ccccc2)cc1 58189597 MFCUICFMVPMQJZ-UHFFFAOYSA-N 311.425 3.827 0 40 DHAB CC[C@H](C)Sc1ccc(NC(=O)Cn2cccn2)c(C)c1 58327022 WQTDSPLANCQAKL-ZDUSSCGKSA-N 303.431 3.721 0 40 DHAB O=C(Nc1nc(-c2ccccc2)ns1)C1(c2ccccc2)CC1 77649352 GBLQXYZMASUGTN-UHFFFAOYSA-N 321.405 3.875 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 78458722 AVLQPBHVDQXWQG-DPQIITEBSA-N 323.392 3.868 0 40 DHAB Cn1cc(C(=O)NCCn2ccc3ccccc32)c2ccccc21 79190762 FWDLDRBVVHJUIF-UHFFFAOYSA-N 317.392 3.563 0 40 DHAB biogenic CCN(CC)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 84770943 ZEMVHLYFSWUICA-HNNXBMFYSA-N 314.433 3.602 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@H](CSCc2ccncc2)C1 85333627 VGYIFFGPSPATGI-CQSZACIVSA-N 308.447 3.572 0 40 DHAB CC[C@H](c1ccc(Br)cc1)N(C)Cc1cnccn1 89947795 UNJJQHPFGLAOPV-OAHLLOKOSA-N 320.234 3.822 0 40 DHAB COc1ccc(C)cc1[C@H](C)NCC1(SC)CCOCC1 90113500 WPCHHTHFURVBNU-AWEZNQCLSA-N 309.475 3.566 0 40 DHAB C[C@H](NCCCn1cccn1)c1ccc(OC(C)(C)C)cc1 95943437 UBUBPGGORUGKQN-HNNXBMFYSA-N 301.434 3.801 0 40 DHAB CC[C@@H](C)c1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)on1 96422275 PRKSAYRCHFGXRE-GHMZBOCLSA-N 302.378 3.608 0 40 DHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]1CC1(Cl)Cl 96972082 ZLKKULKDXSRPGR-MFORYBBRSA-N 316.272 3.855 0 40 DHAB CSc1c(F)cc(NC(=O)Nc2c(C)n[nH]c2C)cc1F 97107722 QKHHVYNGGFDGBD-UHFFFAOYSA-N 312.345 3.671 0 40 DHAB O=c1[nH]c2c(s1)[C@H](c1ccco1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100288083 PGOHYRVPWXTGJJ-WOTQDWCVSA-N 305.424 3.682 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccccc1C(=O)O)C2 100730047 BECVJDQNRKFGFN-MIUNTBIASA-N 302.370 3.756 0 40 DHAB C[C@@H]1CCCN(CC(=O)N[C@H](C)c2cccc3ccccc23)C1 104678726 PMKGCAPOHFZFLU-HZPDHXFCSA-N 310.441 3.749 0 40 DHAB COc1ccc(C)cc1[C@H](C)N[C@H]1CCO[C@@]2(CCSC2)C1 110704230 RIOQBTIZPOKOCI-MPGHIAIKSA-N 321.486 3.709 0 40 DHAB Cc1cc(NC(=O)c2cccnc2)ccc1Oc1ccncc1 193695628 SQPAYEJJSSJUIC-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CCOc1ccc(C(=O)NCCSc2ccccc2)cc1C 225577049 JARGDJNMOOWCCK-UHFFFAOYSA-N 315.438 3.916 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1ccccc1 225860410 GMDOQJKKVWUHDF-INIZCTEOSA-N 323.436 3.991 0 40 DHAB CCc1ccc(NC(=O)c2ccc3c(c2)nc(CC)n3C)cc1 225896341 FRLJXWFYZZGSEW-UHFFFAOYSA-N 307.397 3.950 0 40 DHAB CN(C)c1ccc(-c2noc(-c3ccccc3)c2C(=O)O)cc1 226102513 BOIVPJXRTBSUIX-UHFFFAOYSA-N 308.337 3.773 0 40 DHAB Cc1ncsc1-c1ccc(C(=O)N2CCCCCC2)cn1 257238548 HLNJPEYJPGXUEH-UHFFFAOYSA-N 301.415 3.530 0 40 DHAB CCCNC(=O)c1nc(-c2ccn(C(C)C)c2)n2ccccc12 306128413 GZQCXKXNJRIRAC-UHFFFAOYSA-N 310.401 3.524 0 40 DHAB O=C(O)CCC1CCN([C@H]2CCCc3ccc(F)cc32)CC1 568054597 XEEOAIDZTHNSHE-KRWDZBQOSA-N 305.393 3.780 0 40 DHAB CN1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 585100615 QASWQTOAYJNRLG-QGZVFWFLSA-N 324.827 3.570 0 40 DHAB FC(F)(F)c1cc(C2CCN(C3CCCCC3)CC2)[nH]n1 2037835833 AXWQDKPDKCKOJS-UHFFFAOYSA-N 301.356 3.941 0 40 DHAB O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Cl)cc1 123200 PEFNYDADEQZYQG-UHFFFAOYSA-N 324.814 3.751 0 40 DHAB biogenic O=C(COC(=O)c1cccs1)Nc1cccc2ccccc12 149200 MDQNADHGBSEVGR-UHFFFAOYSA-N 311.362 3.697 0 40 DHAB COc1cc(O)ccc1[C@@H]1Nc2ccccc2-c2cc(C)nn21 382434 HHBSDALGQHQUCN-GOSISDBHSA-N 307.353 3.545 0 40 DHAB O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 1614996 HMFWHIKBUSOVKW-UHFFFAOYSA-N 320.616 3.769 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(C)cc2Cl)cc1OC 2623056 LGNXLIGKHFUQRL-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB Cc1ccc(/C=C/c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1 4060011 AAMSNXJTQPSNDL-DHZHZOJOSA-N 320.367 3.910 0 40 DHAB CC(C)CC(=O)Nc1nnc(SCc2ccccc2)s1 4086562 AVCBPBPFGWGODK-UHFFFAOYSA-N 307.444 3.815 0 40 DHAB O=C(Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C1CC1 4340246 CRODVZMTCIGPEU-UHFFFAOYSA-N 306.317 3.775 0 40 DHAB biogenic Nc1c(C(=O)N2CCCC2)sc2nc(-c3ccccc3)ccc12 4372115 XQAZIKOCAFFEIY-UHFFFAOYSA-N 323.421 3.782 0 40 DHAB CCCCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 4574096 FMYUWFGFHYKRJQ-OAHLLOKOSA-N 313.401 3.980 0 40 DHAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)nc1 4931138 DATKXXPBACVVKF-UHFFFAOYSA-N 315.348 3.602 0 40 DHAB CCN(CC)CCNc1ncnc2c1oc1ccc(Cl)cc12 5277809 ARXCDPVNASYWFU-UHFFFAOYSA-N 318.808 3.783 0 40 DHAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 8011617 LWONMFUUZXIZMF-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1c(F)cccc1F 8320429 MPBZUKLZDKHEKA-CYBMUJFWSA-N 322.380 3.802 0 40 DHAB CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccccc1 8734269 XDKAQGCPOVFPTD-BQYQJAHWSA-N 315.756 3.745 0 40 DHAB Cc1sc(-n2ncc3ccccc3c2=O)nc1-c1ccccc1 8782649 QPOUIGYITKHNFF-UHFFFAOYSA-N 319.389 3.818 0 40 DHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)on1 9496876 HMFSXKJVANMNFY-INIZCTEOSA-N 310.353 3.932 0 40 DHAB CCc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10901018 LHJRTQOLJWBHIT-UHFFFAOYSA-N 322.408 3.528 0 40 DHAB CCC(CC)C(=O)N1CCC(c2nc3ccccc3o2)CC1 11999840 QIZDLXCCCMWUDH-UHFFFAOYSA-N 300.402 3.970 0 40 DHAB CC(=O)c1cccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c1 12321209 UQSIBIDDQILSNI-UHFFFAOYSA-N 322.368 3.582 0 40 DHAB C[C@@H](Nc1ncnc2c1cnn2C)c1cccc2ccccc12 12486037 AOKWHLSOIKVKJO-GFCCVEGCSA-N 303.369 3.690 0 40 DHAB O=C(NC1CC1)c1cccnc1Sc1ccccc1Cl 12784818 ABSZUJNYGKBTKZ-UHFFFAOYSA-N 304.802 3.778 0 40 DHAB CC(C)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 12908767 YYCMRVATHPLUMQ-UHFFFAOYSA-N 302.462 3.849 0 40 DHAB CC(C)c1nn(CN2CCC[C@@H]2c2ccccc2)c(=S)[nH]1 14158587 NBTBTWQKWAMTQI-CQSZACIVSA-N 302.447 3.859 0 40 DHAB CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 14561501 XWYJDYFLCWNWLO-UHFFFAOYSA-N 324.424 3.943 0 40 DHAB O=C(O)c1cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2o1 19703228 AKFDXKMNDPQQHQ-UHFFFAOYSA-N 322.272 3.610 0 40 DHAB biogenic C1=CC[C@H](/C=C/c2nn3c(-c4ccncc4)nnc3s2)CC1 19898840 SEOIQXIJHIWXES-SYTKJHMZSA-N 309.398 3.617 0 40 DHAB OC1=Nc2n[nH]cc2[C@H](c2ccc(Br)cc2)SC1 20732059 HUIOHVMHWALDNK-NSHDSACASA-N 324.203 3.596 0 40 DHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccncc1 22527920 WMOFXZAHHOHIBI-HNNXBMFYSA-N 320.845 3.922 0 40 DHAB COc1cccc(CNC(=O)c2occc2-c2ccccc2)c1 22623515 ZUGCYQFNBGGTPQ-UHFFFAOYSA-N 307.349 3.885 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 23762710 VESZWKXHAXKYSD-GFCCVEGCSA-N 322.364 3.882 0 40 DHAB CCn1nccc1CN(C)C(=O)Nc1ccc(C(C)C)cc1 28219175 FYLFCHUXWQOWNJ-UHFFFAOYSA-N 300.406 3.690 0 40 DHAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C)o1 29268310 WXEPYIRBNYECRO-UHFFFAOYSA-N 323.396 3.793 0 40 DHAB Cc1cccc(-c2nc(CSc3nc(C(C)C)n[nH]3)no2)c1 32326171 ISVHZGPTTVEWNM-UHFFFAOYSA-N 315.402 3.579 0 40 DHAB O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)S1 34857615 FWEPNYNOKOHTNJ-SDQBBNPISA-N 307.277 3.549 0 40 DHAB Fc1ccc(-c2cc(C(F)F)nc(NC[C@H]3CCCO3)n2)cc1 36613412 RTLQHKNAPCNDJC-GFCCVEGCSA-N 323.318 3.811 0 40 DHAB COc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1OC 37359967 FZRYDAMRYQSHGU-UHFFFAOYSA-N 306.745 3.597 0 40 DHAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 42646574 PLQRESDBIVDGRE-UHFFFAOYSA-N 324.424 3.547 0 40 DHAB CC(C)c1cc(C(=O)Nc2ccccc2O)nn1C(C)(C)C 45012429 NPVMACANODFHCZ-UHFFFAOYSA-N 301.390 3.719 0 40 DHAB CN(Cc1ccco1)C(=O)CCc1ccc(-c2ccccc2)[nH]1 54926307 GUAQHLRQBJWAFJ-UHFFFAOYSA-N 308.381 3.866 0 40 DHAB O=C(Nc1ccc2ccccc2n1)c1cc(Br)c[nH]1 58401740 ZECXXPKAMXYFJM-UHFFFAOYSA-N 316.158 3.578 0 40 DHAB Cc1cnn(CC2CC2)c1NC(=O)c1ccccc1C(F)(F)F 58415393 PJNFWIFMOAOPBJ-UHFFFAOYSA-N 323.318 3.873 0 40 DHAB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccn1 67297996 MOTNEJUJSOEDMS-UHFFFAOYSA-N 309.291 3.764 0 40 DHAB CCCc1noc([C@@H](C)N(C)Cc2nc3ccccc3s2)n1 69348691 SSNGJIZYCSZBAZ-LLVKDONJSA-N 316.430 3.825 0 40 DHAB C[C@H](NC(=O)Cc1cccs1)c1nc(C(C)(C)C)cs1 71882884 PCBUPHWVSRTKFT-JTQLQIEISA-N 308.472 3.922 0 40 DHAB Cc1nc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cs1 71884564 PCCJGIDLUWOGGR-KBPBESRZSA-N 306.818 3.525 0 40 DHAB O=C(Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2)C1CC1 72406500 ITCFBGQVJFDAQC-UHFFFAOYSA-N 323.352 3.757 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)Nc1ccc([S@](C)=O)c(F)c1 76094278 OQDFAHGWDZCTPX-WSVYEEACSA-N 314.426 3.509 0 40 DHAB CC[C@@H](c1ccc(Cl)cc1)N1CCn2c(nnc2C2CC2)C1 84734031 SXJFGGGRAHLFMQ-HNNXBMFYSA-N 316.836 3.776 0 40 DHAB Cc1cc(-c2noc([C@H]3CCCNC3)n2)cc(C)c1OC(C)C 95095384 WRNRVRFRJWQOEZ-AWEZNQCLSA-N 315.417 3.608 0 40 DHAB CCCCOc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C 95095421 CIYJCUJZDHICFX-HNNXBMFYSA-N 315.417 3.957 0 40 DHAB CN(C)c1ccc(C(=O)c2ccccc2Br)cc1 95916755 GFBDCMKYJGRISC-UHFFFAOYSA-N 304.187 3.746 0 40 DHAB c1ccc(Cc2noc(-c3ccnc(C4CCCC4)n3)n2)cc1 95980010 GYOXGWVZVBWGFI-UHFFFAOYSA-N 306.369 3.775 0 40 DHAB CO[C@@H](C)c1cccc(NC(=O)NCc2ccc(O)c(F)c2)c1 96415892 KQRPNLHHGNAZMX-NSHDSACASA-N 318.348 3.560 0 40 DHAB CCOCc1ccccc1NC(=O)NCc1ncc(CC)s1 96434254 JWARDJGHVWAZJC-UHFFFAOYSA-N 319.430 3.564 0 40 DHAB CC(C)(O)c1ccc(OCc2csc([C@@H]3CCCO3)n2)cc1 96496766 WIWWMXATUFWCPQ-HNNXBMFYSA-N 319.426 3.801 0 40 DHAB O=c1cc(NCc2ccc(-c3ccccc3)o2)nc2ccccn12 96998785 VURGDDWCUIPOIH-UHFFFAOYSA-N 317.348 3.567 0 40 DHAB CCCn1c(C)nnc1CN[C@H](C)c1c(F)cccc1Cl 97033650 LYRGSPISBPSDIB-SNVBAGLBSA-N 310.804 3.640 0 40 DHAB COc1ccc(CC(=O)Nc2cc(Cl)nc(Cl)c2)cc1 97163210 HAFNLIORYOQTMT-UHFFFAOYSA-N 311.168 3.578 0 40 DHAB C/C(=C\C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)C1CC1 103803937 PVLPNJNLAKQSCN-ACCUITESSA-N 321.380 3.629 0 40 DHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC21OCCO1 105364337 TWYONAIDRKGWBX-OKYOBFRVSA-N 314.425 3.991 0 40 DHAB CCCNc1ccc(CNC(=O)C2CCC(F)(F)CC2)cc1 193003744 JRRWHYJLXJZRJS-UHFFFAOYSA-N 310.388 3.950 0 40 DHAB C[C@H](NC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccs1 193189715 QXZKVFUUDYLDIL-UWVGGRQHSA-N 306.353 3.793 0 40 DHAB Cc1ccc(OCC(=O)NCCSC2CCCCC2)cc1 222758735 PNGSJKVKTUTDHL-UHFFFAOYSA-N 307.459 3.556 0 40 DHAB COc1ccc2c(c1)N([C@@H](C(=O)O)C(C)C)C(C)(C)C[C@@H]2C 223210308 ZOVYAZFSWGIDMS-BLLLJJGKSA-N 305.418 3.897 0 40 DHAB Cc1ccccc1CNC(=O)COc1cccc2c1CCCC2 223290715 JBSDTRGPBHAYHC-UHFFFAOYSA-N 309.409 3.569 0 40 DHAB COc1ccc(C(=O)NCCCc2ccccc2Cl)cc1F 225392519 DUMSQXPNFBMWIA-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(F)c1 225581844 QIGAXFCSFPAUJW-MRXNPFEDSA-N 323.481 3.767 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccccc2Cl)c(C)c1 225745538 LKWHNLCVRXUFNI-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB Cc1ccc(-c2nnsc2C(=O)N2CCCCCC2)cc1 225775446 SJMGHCKCAIPJJL-UHFFFAOYSA-N 301.415 3.530 0 40 DHAB COc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cn1 225960207 AXTMEIOMGQDERS-UHFFFAOYSA-N 302.399 3.600 0 40 DHAB Nc1ccc(N2CCCC2)c(NC(=O)c2ccccc2Cl)c1 226255713 ODAHNTYUTOWRNP-UHFFFAOYSA-N 315.804 3.775 0 40 DHAB Cc1ncc2cncc([C@@H]3CCCN(Cc4ccccc4F)C3)n12 257211337 BYNANVUAGDRGBO-MRXNPFEDSA-N 324.403 3.556 0 40 DHAB C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1cn2ccccc2n1 584479740 FHAGZBDITYUJDK-WFASDCNBSA-N 311.360 3.648 0 40 DHAB COCC[C@H]1CCOC12CCN(Cc1cccc(Cl)c1)CC2 585104141 GHTZCFQADSNIPS-INIZCTEOSA-N 323.864 3.748 0 40 DHAB C[C@H]1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)CC1 585121423 OYUUHJLZEITYSE-INIZCTEOSA-N 323.440 3.956 0 40 DHAB C[C@H]1C[C@@H](OC(=O)CCSc2ccccc2)c2nccn21 585136166 UNOWNAGWGPVRKM-GXTWGEPZSA-N 302.399 3.615 0 40 DHAB Cc1ccc(OCC2(O)CCN(C3CCCCC3)CC2)c(C)c1 585281888 SBOQDQCULUMFAL-UHFFFAOYSA-N 317.473 3.842 0 40 DHAB Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(Cl)ncn1 32421 FXIVZUXWFFYJJU-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB Cc1cccc(NC(=O)CSc2nccn2-c2ccccc2)c1 427341 UQVHYAFOORAWPI-UHFFFAOYSA-N 323.421 3.912 0 40 DHAB CCC[C@@H](NC(=O)c1ccc(OC)cc1)c1nc2ccccc2[nH]1 536189 JOJKDUCFQGZOHK-QGZVFWFLSA-N 323.396 3.843 0 40 DHAB CC[C@@H](C)N(CCCOC(=O)c1ccc(N)cc1)[C@H](C)CC 1610526 QWFIELFCSSOVDP-HUUCEWRRSA-N 306.450 3.715 0 40 DHAB CC(C)CC(CC(C)C)N[C@@H](C)COC(=O)c1ccc(N)cc1 1842476 UXJPPXNITUCBKJ-HNNXBMFYSA-N 320.477 3.865 0 40 DHAB CCCOc1ccc(C(=O)Nc2ncc(C)s2)cc1OC 2628808 ILLNETUHGVQXJM-UHFFFAOYSA-N 306.387 3.501 0 40 DHAB CCOc1cc(C(=O)NCc2ccccc2)ccc1OC(F)F 3480464 IYLGZIGOYKMZGM-UHFFFAOYSA-N 321.323 3.617 0 40 DHAB O=C(COc1cccc(Cl)c1)Nc1ccc2c(c1)CCC2 3515951 ZNFVVWQYZSVRDH-UHFFFAOYSA-N 301.773 3.846 0 40 DHAB COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C/C(=O)O 4200448 KWMBECWNLDCJTA-VAWYXSNFSA-N 320.348 3.646 0 40 DHAB CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1C 5149011 OMKFAMKLPXXCQM-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB Cc1ccnc(NC(=O)/C=C/c2ccc(Br)cc2)c1 5394656 UDFPLMGWKTXJEK-QPJJXVBHSA-N 317.186 3.804 0 40 DHAB Cc1cccc(OCC(=O)NCc2cccc(Cl)c2)c1C 6377499 KGMRETJTFZABSJ-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB CCn1c(-c2cccs2)nn(CN2CCC(C)CC2)c1=S 6948187 FGOUTZLBJJMMBF-UHFFFAOYSA-N 322.503 3.852 0 40 DHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2)c1C 7734848 ZWFTXOJGVCNEBD-LBPRGKRZSA-N 317.410 3.782 0 40 DHAB Sc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn12 8559862 LKCVAORBOPBPBA-UHFFFAOYSA-N 312.785 3.887 0 40 DHAB O=C(O)CCCCCNC(=O)c1cc2c(s1)CCCCCC2 9550257 AZLWWGNMGDLUOX-UHFFFAOYSA-N 323.458 3.782 0 40 DHAB Cc1ccc(C2=CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1 12556789 BNGMPCMSXWWEAW-UHFFFAOYSA-N 317.392 3.801 0 40 DHAB C[C@H]1CCCCN1C(=O)CSc1nc2cc(Cl)ccc2[nH]1 12568543 GBZMGIRVSHNFJO-JTQLQIEISA-N 323.849 3.709 0 40 DHAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCc2ccccc21 12861434 ARZFXVPDUSZENX-HNNXBMFYSA-N 309.365 3.532 0 40 DHAB Fc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 13127445 IFONQRWGEAJRGE-HZPDHXFCSA-N 312.323 3.703 0 40 DHAB COc1ccc2nccc(/C=C/CC3CCN(C(C)=O)CC3)c2c1 13214511 DYMIQUNBIDKGRA-HWKANZROSA-N 324.424 3.905 0 40 DHAB COc1c(F)c(F)c(C(=O)Nc2ccc(F)cc2)c(F)c1F 14258233 BTWNIKYDWNXQGO-UHFFFAOYSA-N 317.213 3.643 0 40 DHAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)c(F)c1 15624867 AQJSVBZZJGPKDF-UHFFFAOYSA-N 301.317 3.548 0 40 DHAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 20495801 NFGWUPPKWUAVHD-CXAGYDPISA-N 301.361 3.861 0 40 DHAB CC(C)COc1ccccc1[C@H]1SCC(O)=Nc2n[nH]cc21 20716005 AIVJVSLHTLGUNV-OAHLLOKOSA-N 317.414 3.869 0 40 DHAB CCc1c(C(=O)N2CCC[C@H](C)C2)cnn1-c1ccc(C)cc1 23108565 QFXLIEHMJOTSTH-HNNXBMFYSA-N 311.429 3.615 0 40 DHAB COC(=O)c1cc2c(-c3ccsc3)nn(-c3ccccc3)c2[nH]1 31773359 RFTGQDKDPPTVEX-UHFFFAOYSA-N 323.377 3.869 0 40 DHAB O=C1c2ccccc2C(=O)N1CCNc1cccc2ccccc12 32192744 RAYIFKXWZGLHGO-UHFFFAOYSA-N 316.360 3.548 0 40 DHAB CC(C)C(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 32815891 AQEFHPMTCNCHDO-UHFFFAOYSA-N 314.429 3.901 0 40 DHAB Cc1ccc(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 32891537 DRTJFNYHUVNZFR-UHFFFAOYSA-N 324.424 3.790 0 40 DHAB Cc1cc(C)nc(NC(=O)CCSc2ccc(Cl)cc2)n1 35655094 AVBVWZSPYXGLGO-UHFFFAOYSA-N 321.833 3.868 0 40 DHAB Cc1nc2ccc(NC(=O)c3cc4occc4n3C)cc2s1 40288267 SMURVPVUVOPCCL-UHFFFAOYSA-N 311.366 3.942 0 40 DHAB O=C(Nc1ccnn1C1CCCC1)c1ccc(Br)o1 40463285 SPEKWLIFFTUTHI-UHFFFAOYSA-N 324.178 3.606 0 40 DHAB O=C(CCSc1ccccc1)NCCSC1CCCC1 46450423 ZJDJJOFJZDVSHC-UHFFFAOYSA-N 309.500 3.961 0 40 DHAB Cc1ccnc(NC(=O)CCCOc2ccc(Cl)cc2)c1 48227120 TXDBBNCSGARFNK-UHFFFAOYSA-N 304.777 3.841 0 40 DHAB O=C(Cc1ccccc1F)NCCOc1cccc2ccccc12 54592241 VOMHEJBKXGEADW-UHFFFAOYSA-N 323.367 3.717 0 40 DHAB O=C(Nc1cc(F)ccc1F)[C@H](c1ccccc1)n1cccc1 56907456 KBHJOUYZBHIMPZ-KRWDZBQOSA-N 312.319 3.994 0 40 DHAB O=C([C@@H](Nc1cc(F)cc(F)c1)c1ccccc1)N1CCCC1 57758506 FHBVIVBRJLRBMS-KRWDZBQOSA-N 316.351 3.740 0 40 DHAB Cc1ccc(CC(=O)N(C2CC2)[C@@H](C)c2ccccc2F)cn1 58123601 LTXHDRGONYJTMW-AWEZNQCLSA-N 312.388 3.824 0 40 DHAB C[C@H](NCc1csc(-c2cccs2)n1)[C@H](C)n1cccn1 69442843 ZLGVPEIKEWLYQU-RYUDHWBXSA-N 318.471 3.807 0 40 DHAB O=C(c1ncoc1-c1cccs1)N1CC[C@@H]2CCCC[C@@H]21 69670252 BQOIKFAFYOZFIW-RYUDHWBXSA-N 302.399 3.808 0 40 DHAB Cc1cc(N)cc2nc(-c3cncc(Br)c3)oc12 70461465 CIQLKHMAVPEYQZ-UHFFFAOYSA-N 304.147 3.543 0 40 DHAB Cc1cc(NC(=S)Nc2ccc3c(c2)OCCO3)ccc1F 71326124 PUOLOYOWVDNBHK-UHFFFAOYSA-N 318.373 3.714 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccco3)C2)sc1C 72297455 SNEIFFZEVOHASR-AWEZNQCLSA-N 318.442 3.692 0 40 DHAB CCC[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1 80343788 YMVGSAHCPGFRPV-ZACQAIPSSA-N 317.429 3.578 0 40 DHAB CCc1ccsc1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1 87464735 ARSXHJVSEFVAOL-LSDHHAIUSA-N 303.402 3.870 0 40 DHAB CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 94568702 KDZVWRLDUPCQJD-UHFFFAOYSA-N 301.390 3.677 0 40 DHAB in-vitro Cc1ccc(C(=O)N(Cc2ccccn2)c2ccncc2)c(C)c1 95456493 PQYRGLCTVNMAFF-UHFFFAOYSA-N 317.392 3.940 0 40 DHAB COc1cc(C(=O)c2cc(C)c(C)cc2C)cc(OC)c1OC 95917397 VVNLGWIPNLNBEY-UHFFFAOYSA-N 314.381 3.869 0 40 DHAB CCOc1ccc(SCc2nc(-c3ccncc3)no2)cc1 96406055 INRMDVQVCSWFLO-UHFFFAOYSA-N 313.382 3.823 0 40 DHAB CSCc1cccc(NC(=O)NCc2cc(C(C)C)no2)c1 96406202 MDWDFYHDLYRQFY-UHFFFAOYSA-N 319.430 3.983 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c1 96433181 OMGVBOIOLGBHAI-BDJLRTHQSA-N 314.385 3.732 0 40 DHAB COc1ncccc1N(C)C(=O)c1ccc(Oc2ccccc2)o1 96451333 UKWDTVNTURVJQG-UHFFFAOYSA-N 324.336 3.752 0 40 DHAB CC(C)(C(=O)O)c1ccc(NC(=O)c2ccccc2Cl)cc1 96467601 LEFROOMQGJUCQC-UHFFFAOYSA-N 317.772 3.955 0 40 DHAB O=[S@](Cc1csc(-c2ccccn2)n1)c1cccs1 96482606 ZYNFAICVABSREP-IBGZPJMESA-N 306.437 3.574 0 40 DHAB COc1ccnc(CSCc2noc(-c3ccsc3)n2)c1 127417217 CGWXFBHMPYZWAV-UHFFFAOYSA-N 319.411 3.635 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 219956875 KXTWZRUXQJCQQF-OAHLLOKOSA-N 313.397 3.591 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)c(C)c1C 225670566 HNHCYMQGYNUBCP-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CO[C@H](CNC(=O)c1ccsc1)c1ccc(Cl)s1 225699977 RXJCBDFABSHHQO-SECBINFHSA-N 301.820 3.581 0 40 DHAB COc1ccccc1C(=O)NCc1ccnc(-c2ccsc2)c1 225754396 ZDFZSURBRSULSI-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB Cc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)c(C)c1 226034419 UIAKUTZTFQWGIQ-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Fc1ccc(CSc2n[nH]c(COc3ccccc3)n2)cc1 409384867 GCGGJXLGKHFHLF-UHFFFAOYSA-N 315.373 3.815 0 40 DHAB COc1cccc(C(=O)NC[C@@H]2CCCc3ccccc32)c1C 1532806483 KYPJEPPWTKVZQG-INIZCTEOSA-N 309.409 3.854 0 40 DHAB Cc1sc2ncnc(SCC(=O)OCC(C)C)c2c1C 84908 JQFSXTZPGZDRKZ-UHFFFAOYSA-N 310.444 3.599 0 40 DHAB CCOc1cccc(/C=C2\N=C(c3ccccc3F)OC2=O)c1 95046 SMTRKAQHSKFSCG-WJDWOHSUSA-N 311.312 3.569 0 40 DHAB O=c1c2c3c(sc2ncn1Cc1cccc(F)c1)CCCC3 257265 LSKDACJPBNKGJP-UHFFFAOYSA-N 314.385 3.524 0 40 DHAB CCCOc1ccc(Cn2c([C@H](C)O)nc3ccccc32)cc1 1835133 CAUUDWFEMBFHIX-AWEZNQCLSA-N 310.397 3.927 0 40 DHAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 1960551 ITGBGKMKMKWBGP-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB CN(C)C[C@@H](OCCc1ccccc1)C(Cl)(Cl)Cl 2027961 BGKYDFHBAXOXLI-GFCCVEGCSA-N 310.652 3.546 0 40 DHAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2ccccc2c1 2646474 DKBLHVKLAXEBMK-SUMWQHHRSA-N 303.427 3.697 0 40 DHAB CC(C)c1ccccc1NC(=O)COc1ncnc2ccccc12 3237639 MMMJJXSGEHROSC-UHFFFAOYSA-N 321.380 3.771 0 40 DHAB COc1ccc2c(CN3c4ccccc4C[C@H]3C)cc(=O)oc2c1 3337309 KIIZTMJVRDABMV-CYBMUJFWSA-N 321.376 3.753 0 40 DHAB O=C(Cc1ccccc1F)NCc1ccc(Cl)cc1Cl 3603161 SANFBGCMDWPPMA-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB COC(=O)[C@@H]1[C@H](C[C@H](O)c2ccccc2)[C@H]2CC[C@]1(C)C2(C)C 3846219 LLZXMKJMTYWIHO-BAPGRXHISA-N 316.441 3.972 0 40 DHAB CCN(CC)C/C=C/[C@@H]1CCCN1C(=O)OCc1ccccc1 4108502 ADHKCODGMUMRPH-RXNMKEHESA-N 316.445 3.686 0 40 DHAB Cc1ccc2onc(CC(=O)Nc3cccc(Cl)c3)c2c1 4667847 ZLDQKLAIZDXLOU-UHFFFAOYSA-N 300.745 3.971 0 40 DHAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N1CCCC1 4700217 VQURCFDQPXYTKG-UHFFFAOYSA-N 322.408 3.754 0 40 DHAB CC1=NN(CCc2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1 4948426 VLIGCTCFTUROFX-UHFFFAOYSA-N 319.817 3.614 0 40 DHAB CC(C)=CC/C=C1\CC[C@@H]2C(=O)N(c3ccccc3)NC(=O)[C@H]2C1 5480760 LAQLAJSRFNHUCR-WDIWZDMCSA-N 324.424 3.763 0 40 DHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(F)cc1)OCCO3 5535796 SWTKFPYDPUOHIK-UHFFFAOYSA-N 312.296 3.679 0 40 DHAB CCCCCNc1nc2sc3c(c2c2ncnn12)CCCC3 5575913 TYHDWDSBUYXXTN-UHFFFAOYSA-N 315.446 3.820 0 40 DHAB COc1ccccc1-n1cnnc1SCc1ccccc1C 6082101 NPXLOXIISOWVBK-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB O=C(/C=C/c1ccccc1)OCC(=O)c1c[nH]c2ccccc12 6474468 ZJEXLJYUUVXAOF-ZHACJKMWSA-N 305.333 3.607 0 40 DHAB O=C(O)[C@H](Nc1ncnc2c1oc1ccccc12)c1ccccc1 6927701 WTPZBJWEILWBGY-CQSZACIVSA-N 319.320 3.614 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 7053392 GOJOKXWARVUPLK-UHFFFAOYSA-N 315.316 3.815 0 40 DHAB CCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 8080812 MQMRTKXSTSNALE-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9060225 GKNKRZSLPHYRLG-SFHVURJKSA-N 319.408 3.859 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)nc1 12523540 LFIWMKWFFQJIKU-UHFFFAOYSA-N 302.399 3.670 0 40 DHAB Cc1cc(NC(=O)[C@H](C)SCc2cccc(F)c2F)no1 12569148 BCINIQBAQFSYEB-VIFPVBQESA-N 312.341 3.522 0 40 DHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccn1 12787150 YKNFRWQGNGSTGS-LBPRGKRZSA-N 304.802 3.702 0 40 DHAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3)CC2=O)c1 13022045 DEECKTJGOATQSB-INIZCTEOSA-N 322.408 3.549 0 40 DHAB O=C(COc1ccccc1Cl)N1CC[C@H]2CCCC[C@@H]2C1 13069584 DRJYAMRSZYAQQX-ZIAGYGMSSA-N 307.821 3.758 0 40 DHAB Cc1cccc(NC(=O)CNC(=O)c2ccc(C(C)C)cc2)c1C 14232569 HVRSGMWDOXZPBJ-UHFFFAOYSA-N 324.424 3.795 0 40 DHAB CCOCCOc1ccccc1CNc1cccc(OC)c1 19737882 QSIRSJTYOQDXMY-UHFFFAOYSA-N 301.386 3.723 0 40 DHAB CCOc1cccc(NC[C@H](C)Oc2ccc(OC)cc2)c1 19738388 AJYKVTZFCSHJJR-AWEZNQCLSA-N 301.386 3.973 0 40 DHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccccc1 20453735 PQQYTCAYSRZJKX-KDOFPFPSSA-N 313.397 3.730 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1 21596436 UWBQTKFLGRUDLZ-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB COc1ccc(C(=O)OCC(=O)c2oc3ccccc3c2C)cc1 23583525 RQMSEVMRTBKAAZ-UHFFFAOYSA-N 324.332 3.790 0 40 DHAB CC[C@H](C)Nc1ncnc2c1cnn2-c1cc(Cl)ccc1C 24013005 CJUSROLDXWEYGV-NSHDSACASA-N 315.808 3.988 0 40 DHAB Cc1c(C(=O)N(C)[C@H](C)c2cccs2)[nH]c2c1C(=O)CCC2 24236087 XGLKTFOAXGNYBS-LLVKDONJSA-N 316.426 3.737 0 40 DHAB COc1cc(C)c(NC(=O)c2ccc3c(c2)CCC3)cc1OC 29358316 LDZDCHPYHRQDPJ-UHFFFAOYSA-N 311.381 3.753 0 40 DHAB O=S(=O)(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 36294293 GWMRLFRGHXTQIG-UHFFFAOYSA-N 302.273 3.619 0 40 DHAB CCOc1ccc(-n2c(S)nnc2-c2ccc(F)cc2)cc1 36724595 DOZGNOHIPYMKJW-UHFFFAOYSA-N 315.373 3.761 0 40 DHAB COc1ccc(CC(=O)c2ccc(Br)cc2)cc1 36941774 ZWDPEUVSWDLXJK-UHFFFAOYSA-N 305.171 3.883 0 40 DHAB Clc1cc(Cl)c(Br)nc1Br 39192910 NZKNZMNTPXCGHG-UHFFFAOYSA-N 305.784 3.913 0 40 DHAB CCN(C(=O)c1cncc(Br)c1)c1ccccc1C 42317098 PDEGROTUYGLOKR-UHFFFAOYSA-N 319.202 3.819 0 40 DHAB CC[C@@H](C)NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 45819315 KMJFXNJRZRRQJY-CYBMUJFWSA-N 315.417 3.707 0 40 DHAB COCCN(Cc1ccccc1)Cc1cc(-c2ccco2)on1 48355918 RNHCXUQULBSYRB-UHFFFAOYSA-N 312.369 3.583 0 40 DHAB O=C(Nc1ccccc1-n1ccnc1)[C@H]1C[C@H]1c1ccc(F)cc1 52926411 QNJHHPGKNQKJFO-HOTGVXAUSA-N 321.355 3.754 0 40 DHAB Cc1ccc2[nH]cc(-c3nc(-c4cccs4)no3)c(=O)c2c1 57354808 NBEOTFDGSXAMPJ-UHFFFAOYSA-N 309.350 3.615 0 40 DHAB Cc1nc(S)sc1CC(=O)N1CCC[C@H]1CC(C)(C)C 61527332 IEXIFYPUSBLDGP-NSHDSACASA-N 312.504 3.710 0 40 DHAB CCSc1ccc(NC(=O)NCc2cccc(OC)c2)cn1 63784533 KGISYKSGGHFPAG-UHFFFAOYSA-N 317.414 3.524 0 40 DHAB COc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 71831368 WEFCMMMGVBFCMX-OAHLLOKOSA-N 324.424 3.673 0 40 DHAB OC1=Nc2ccccc2C(c2ccc(Br)cc2)=NC1 72314548 SIBZHALUYZIVSJ-UHFFFAOYSA-N 315.170 3.888 0 40 DHAB CCc1cc(N(C)[C@@H](C)c2ccccn2)nc(-c2ccncc2)n1 75138121 OCDLNCDHRATWCX-AWEZNQCLSA-N 319.412 3.693 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)N1CCC(c2ccsc2)CC1 75157115 ADIGZCKKPFDAJH-AWEZNQCLSA-N 315.438 3.922 0 40 DHAB Cc1cc([C@H](C)NC2CCN(C[C@H]3CCOC3)CC2)c(C)s1 95422684 LWMKZZBJJMNJKS-GOEBONIOSA-N 322.518 3.516 0 40 DHAB CC[C@@H](C)Oc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1 95958948 YOZRXTMKUHFLOS-CYBMUJFWSA-N 301.390 3.894 0 40 DHAB CC(C)C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccccn1 95967387 POFNULPCOJSEBD-QZTJIDSGSA-N 302.393 3.631 0 40 DHAB O=C(Nc1cccnc1SCc1ccccn1)c1ccco1 96224225 VZXZHAYKVVZTDH-UHFFFAOYSA-N 311.366 3.614 0 40 DHAB CCCCN(C(=O)c1ccc(F)cc1)C1C[C@@H]2CC[C@@H](C1)N2C 100047626 IIVNAMSBBQUJCZ-IRXDYDNUSA-N 318.436 3.693 0 40 DHAB C1=C(CN2CCC[C@H]2c2ccsc2)N2CCCN=C2S1 101083867 PTRTTXOLFUWIEO-AWEZNQCLSA-N 305.472 3.535 0 40 DHAB Cc1ccsc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 102679679 IWCYADZXIHZNAE-ZDUSSCGKSA-N 314.414 3.956 0 40 DHAB C[C@@H]1CCCCN1CCC1CCN(C(=O)C2[C@H]3CCC[C@H]23)CC1 102679794 QTXNORNKKJSXIR-NJAFHUGGSA-N 318.505 3.536 0 40 DHAB CN1C[C@H](C(=O)c2cccs2)[C@H](c2ccc(Cl)cc2)C1 108006305 DQDLEPZVHJFUCX-KBPBESRZSA-N 305.830 3.930 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)NCCSC1CCCC1 222804866 SWSUKZNURCFKGZ-INIZCTEOSA-N 321.486 3.944 0 40 DHAB CCc1ccc(CCC(=O)NCCOc2ccccc2C)cc1 224595639 VHZBGAQYIXRKEW-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB CCc1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225042550 NTDQCCTZPPKEHC-MRXNPFEDSA-N 304.773 3.977 0 40 DHAB O=C(O)[C@@H](Cc1ccc(Br)cc1)Oc1ccccc1 225065002 SOSFFCAMORKMDG-CQSZACIVSA-N 321.170 3.524 0 40 DHAB Cc1cccc([C@H](NC(=O)c2cccnc2)c2ccccc2)c1 225431720 MQDJMKAISNMXDL-LJQANCHMSA-N 302.377 3.909 0 40 DHAB CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1 1775974126 VUGTWNBDEBYQPD-ROUUACIJSA-N 310.397 3.502 0 40 DHAB CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cn1 1776008455 GGVNRBTWPDWTLZ-IRXDYDNUSA-N 312.413 3.584 0 40 DHAB Fc1ccc(CN2CCC[C@@H](COc3nccs3)C2)cc1F 2298206635 BYLKVXKDCPNLTA-CYBMUJFWSA-N 324.396 3.712 0 40 DHAB O=c1cc(-c2cc(Cl)cc3c2OCOC3)oc2ccccc12 138827 MOICRBBIYUJOBR-UHFFFAOYSA-N 314.724 3.980 0 40 DHAB biogenic CC(C)(C)C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 172768 OKZXZCBIZAMFCW-UHFFFAOYSA-N 304.337 3.565 0 40 DHAB CCN(CC)C(=O)CSc1nc2ccc(OC)cc2cc1C 412064 SNFJFVVDZLGRAB-UHFFFAOYSA-N 318.442 3.512 0 40 DHAB O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 568341 PTQIXKYFSONHAK-UHFFFAOYSA-N 310.136 3.974 0 40 DHAB CN(C)CCCNC(=O)c1cc2sc3ccccc3c2s1 3183308 JKHAICNBAJGKSQ-UHFFFAOYSA-N 318.467 3.798 0 40 DHAB CCc1cccc(CC)c1NC(=O)CNCc1cccs1 3339087 QNTNNMPLGFOFOE-UHFFFAOYSA-N 302.443 3.601 0 40 DHAB O=C1CCC2=C3[C@H]4[C@@H](CCC[C@H]4C(=O)[C@@H]4CCCC[C@@H]34)O[C@H]2C1 5049448 VETBAJOOAOCRGE-WBAQFBFLSA-N 314.425 3.609 0 40 DHAB C[C@@H]1C[C@@H](C)CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 5186286 KXPRFOGIFRLJDK-ZIAGYGMSSA-N 311.425 3.760 0 40 DHAB biogenic c1coc(-c2nnc(CSc3ncnc4sccc34)o2)c1 6115320 RESHFBDERBAYSI-UHFFFAOYSA-N 316.367 3.627 0 40 DHAB CCCC(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12 6417523 MOFRMEGWFXPIQC-UHFFFAOYSA-N 300.402 3.539 0 40 DHAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1F 6610674 ISPYLOKVJROFLR-UHFFFAOYSA-N 305.368 3.911 0 40 DHAB Cn1ccnc1SCc1cc(Cl)c2c(c1)OCCCO2 6921465 CSBBWMUVTALMQS-UHFFFAOYSA-N 310.806 3.527 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 6980021 GWVHZSRHYNATKP-UHFFFAOYSA-N 320.396 3.728 0 40 DHAB Cc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 7008803 YEGAINRBUNXPBA-FBCYGCLPSA-N 324.262 3.763 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCSc2ccccc21 7814058 JYDWSBDJJDYAEP-CZUORRHYSA-N 313.422 3.807 0 40 DHAB O=C(Cc1ccc2c(c1)CCC2)NCCc1c[nH]c2ccccc12 8037670 DRLOOIUOUSISQC-UHFFFAOYSA-N 318.420 3.558 0 40 DHAB Cc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 12767300 JQEYJVYSHXVNGJ-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB CCC[C@H](C)NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 13010957 ODOZBWQGTKNTPA-MARXPDLDSA-N 305.418 3.800 0 40 DHAB C[C@H]1CCc2onc(C(=O)Nc3ccc(F)cc3Cl)c2C1 20572130 DMWFLMJBTWPQKK-QMMMGPOBSA-N 308.740 3.844 0 40 DHAB Cc1nnc([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)s1 23140574 ALBLGJSZPCCNCE-LBPRGKRZSA-N 321.833 3.520 0 40 DHAB C/C=C/C=C/C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24560176 QULIGULHFWUHLY-VPRGLROMSA-N 321.424 3.557 0 40 DHAB CN(CCNC(=O)CCc1ccc(Cl)cc1)c1ccccc1 24619022 HUIHAUCKEUEGPZ-UHFFFAOYSA-N 316.832 3.525 0 40 DHAB CC(C)c1ccc(NC2=NCC(=O)N2Cc2cccs2)cc1 26438573 ITWYPWSXGRNXEO-UHFFFAOYSA-N 313.426 3.682 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1 27917896 HICOKZSABCXIIX-UHFFFAOYSA-N 321.380 3.912 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)Nc1nc(C2CC2)cs1 30850714 FHNRXEWRBYTEQK-LLVKDONJSA-N 302.399 3.564 0 40 DHAB CCC(C)(C)NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1 32335826 PXEGZDSXDWKDNA-JXMROGBWSA-N 324.424 3.979 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-n2cccn2)nc1 32754759 AWVXWQMFSQRRMN-RUDMXATFSA-N 324.771 3.573 0 40 DHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1-c1ccccc1 32755140 ZNKDQUPVBBMAGF-OAHLLOKOSA-N 315.438 3.917 0 40 DHAB Cc1cc(Cl)ccc1OC(=O)c1cc2ccccc2c(=O)[nH]1 32767377 CURNWFKHLQQUQS-UHFFFAOYSA-N 313.740 3.709 0 40 DHAB Nc1nn2cc(-c3cc4ccccc4o3)nc2c2ccccc12 33575893 HFYNPDRCTUTHNU-UHFFFAOYSA-N 300.321 3.878 0 40 DHAB c1ccc(Cn2cc(Nc3ncnc4ccccc34)cn2)cc1 48252042 SFLBGGSNNPOJTA-UHFFFAOYSA-N 301.353 3.618 0 40 DHAB COc1ccc2c(C)cc(NCc3ccc4c(c3)OCO4)nc2c1 48354352 QTOPZFYXBFEWKW-UHFFFAOYSA-N 322.364 3.893 0 40 DHAB CC(C)NC(=O)Nc1ccc(CNCc2ccsc2)cc1 48784919 HIFFUOBPWZCSSW-UHFFFAOYSA-N 303.431 3.568 0 40 DHAB O[C@@H](CN1CC=C(c2ccccc2)CC1)c1ccc(F)cc1F 51112417 HNEFNJOFHKZYNR-IBGZPJMESA-N 315.363 3.788 0 40 DHAB C[C@H](c1nc(C2CC2)no1)N(C)Cc1nc2ccccc2s1 51909728 VOAGEDCRIPAVQE-SNVBAGLBSA-N 314.414 3.750 0 40 DHAB C[C@H](CNC(=O)c1cc2ccccc2s1)N1CCCCC1 55933593 KPMOCSPSDYAQLY-CYBMUJFWSA-N 302.443 3.506 0 40 DHAB O=C(C=C(C1CC1)C1CC1)NCc1cc(-c2ccccc2)no1 57380366 ZCIUBUHHHATIDO-UHFFFAOYSA-N 308.381 3.704 0 40 DHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC(C)CC1 57541723 FMNZQDBSHDDQHW-UHFFFAOYSA-N 317.433 3.853 0 40 DHAB COc1c(CN[C@H]2CCCc3ccccc32)c(C(C)C)nn1C 58407784 VNVLKDYWMKMHMO-KRWDZBQOSA-N 313.445 3.719 0 40 DHAB Cc1nn(C(F)F)c(C)c1CC(=O)OC1CCCCCC1 65492567 WXVGBVDOKSKSHX-UHFFFAOYSA-N 300.349 3.704 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N(C)C2CCCCC2)C1 65523943 UKLFMAOHHMSKAM-HZPDHXFCSA-N 323.525 3.717 0 40 DHAB CC[C@H](C)n1ncc2c(C(=O)Nc3cccc(C)n3)cc(C)nc21 69351941 ASSMMAWJBHSCEK-ZDUSSCGKSA-N 323.400 3.666 0 40 DHAB C[C@H]1SCCN(Cc2nc(C3CC3)no2)[C@@H]1c1ccccc1 71911158 KNMAFRRAMVBWNN-WBMJQRKESA-N 315.442 3.626 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1nc(C)cc(Oc2ccccc2)n1 72383521 ZGVNMCJVZOHXKA-MRXNPFEDSA-N 311.385 3.651 0 40 DHAB C[C@H](NC(=O)N(C)CC1CCC1)c1ccc(-c2cncnc2)cc1 74940718 ADWOHDILBRZCHI-AWEZNQCLSA-N 324.428 3.646 0 40 DHAB CCC[C@H](NC(=O)CCc1ccccn1)c1ccc(F)cc1F 79102240 LBEBXQZHSYHLFE-KRWDZBQOSA-N 318.367 3.950 0 40 DHAB C[C@@H](NCCCC(=O)N1Cc2ccccc2C1)c1cccs1 89597121 IVCOSDLHXCLTQQ-CQSZACIVSA-N 314.454 3.721 0 40 DHAB Cc1csc(CCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)n1 89705532 XPWNYVXSFBCTRT-KBPBESRZSA-N 320.845 3.567 0 40 DHAB C[C@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)C1=CCCCO1 95405629 PZHLZEXPJTZYFW-OAHLLOKOSA-N 322.408 3.962 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NCCCc2nc(C)cs2)c1 95421634 YBEFDFNNPBNWRA-CYBMUJFWSA-N 317.458 3.693 0 40 DHAB Cc1cc(COc2ccccc2-c2nc[nH]n2)c2ccccc2n1 95437199 FEKBSYBKJVVOGC-UHFFFAOYSA-N 316.364 3.907 0 40 DHAB COCCc1noc([C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)n1 95962321 VAVQWLPMOLJUMH-NWDGAFQWSA-N 313.184 3.836 0 40 DHAB Cc1ccc(CN[C@H](C)c2cnccn2)c(OC2CCCC2)c1 95969180 WHIYTPDKNHIEHK-OAHLLOKOSA-N 311.429 3.957 0 40 DHAB CO[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1C 96104964 TUDGSGJWAAEPTC-OAHLLOKOSA-N 321.779 3.905 0 40 DHAB O=C(O[C@H]1CCSC1)c1csc(Cc2ccccc2F)n1 96410815 LTQRAJACKFWZPD-NSHDSACASA-N 323.414 3.535 0 40 DHAB CCc1csc(NC(=O)NC(C)(C)c2nc(C)cs2)n1 96435584 ZARZOEJSEBZURG-UHFFFAOYSA-N 310.448 3.527 0 40 DHAB Clc1ccc(-c2nnc(SCCN3CCCC3)o2)cc1 96997065 GARINIDRJVRJDI-UHFFFAOYSA-N 309.822 3.578 0 40 DHAB Cc1csc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 107359446 YJRWCBAWJJASPI-DOTOQJQBSA-N 315.486 3.594 0 40 DHAB CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1cccnc1 108354135 SYJCPUSUXBUERJ-VHDGCEQUSA-N 307.463 3.506 0 40 DHAB CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 113165700 JYUHBFSGUVOBQG-UHFFFAOYSA-N 315.316 3.531 0 40 DHAB CCCNc1ccc(Cl)cc1NC(=O)Cc1cccnc1 182449738 ONQXEPIGZDOKMA-UHFFFAOYSA-N 303.793 3.738 0 40 DHAB CC(C)(C)SCCNC(=O)COc1ccc2ccccc2c1 222832453 NTVCRGDFPMBWKQ-UHFFFAOYSA-N 317.454 3.867 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccnc1 224730765 XVXMCAUKWGIZAK-GOSISDBHSA-N 310.397 3.757 0 40 DHAB CCCO[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140294 TWYJAIOJFVETQR-KRWDZBQOSA-N 300.354 3.901 0 40 DHAB CO[C@@H](CNC(=O)Nc1cccs1)c1ccc(Cl)s1 225708954 QUDCIJCDTYASMR-QMMMGPOBSA-N 316.835 3.972 0 40 DHAB CCCN(CCC)c1ccc(N)cc1C(=O)N1CCCC[C@@H]1C 226323601 NCUZUAIVDHAARY-HNNXBMFYSA-N 317.477 3.910 0 40 DHAB Cc1cccc([C@H]2CCCCN2C(=O)C[C@@H](C)CC(=O)O)c1C 574415556 ZHLBKORIKWQEFD-CXAGYDPISA-N 317.429 3.858 0 40 DHAB O=C1Nc2c(Cl)cccc2C(=O)[C@@]1(Cl)c1ccccc1 162379 BWYQHILTFICLIM-HNNXBMFYSA-N 306.148 3.609 0 40 DHAB Cc1ccc(NC(=S)N(CCO)c2ccccc2)cc1Cl 2659679 GYFBPZBEGUKJOI-UHFFFAOYSA-N 320.845 3.844 0 40 DHAB CCCCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 3094733 MHUFBSHKGRBQKW-HOTGVXAUSA-N 319.401 3.695 0 40 DHAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc(Cl)c1 3153893 JHWCFFCKLZGLJB-ZSOIEALJSA-N 301.704 3.824 0 40 DHAB Cc1cc2oc(=O)cc(CSc3nncs3)c2cc1Cl 3339259 MFYJRONCMCCOIT-UHFFFAOYSA-N 324.814 3.899 0 40 DHAB Cc1ccc(NC(=O)COC(=O)CCC2CCCC2)c(C)c1 3403114 IGDBMCQUTPMMQH-UHFFFAOYSA-N 303.402 3.756 0 40 DHAB Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)O)CC[C@]3(C)C1(C)C 4196965 OVYNUABZJBLWSS-RBUKOAKNSA-N 310.397 3.660 0 40 DHAB COc1ccccc1C(=O)Nc1nc2c(F)cc(F)cc2s1 4331590 KYAVHDFPQPDMCP-UHFFFAOYSA-N 320.320 3.835 0 40 DHAB COc1ccc(C)cc1CSc1nnc(-c2ccco2)n1C 5319486 JXJVVGXPWWZDQL-UHFFFAOYSA-N 315.398 3.684 0 40 DHAB Cc1ccc(N2C(=O)S[C@@H](Nc3cccc(F)c3)C2=O)cc1 5346687 JEAYLHDFSQNMES-CQSZACIVSA-N 316.357 3.772 0 40 DHAB COc1ccccc1CCC(=O)N[C@H]1CCCc2ccccc21 5442801 PDBLUDGUZVNOSH-SFHVURJKSA-N 309.409 3.822 0 40 DHAB Cc1cc(S(=O)(=O)N2CCC[C@H](C)C2)c(Cl)cc1Cl 5749666 UKFUQLHJPQAQKU-VIFPVBQESA-N 322.257 3.722 0 40 DHAB Cc1cccc(C(=O)NCCOc2cccc3ccccc23)c1 5815224 OIUUCWVXJDUQAW-UHFFFAOYSA-N 305.377 3.957 0 40 DHAB CC(=O)c1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1 6266423 ACNTUAHBTJONME-UHFFFAOYSA-N 306.365 3.791 0 40 DHAB COC(=O)c1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1 6579350 RIQODBWKZFGTQS-SDNWHVSQSA-N 315.413 3.716 0 40 DHAB Cc1ccc(C)c(C(=O)COc2ccc(-c3nnco3)cc2)c1 6832288 LHTSDFUSWAVDAW-UHFFFAOYSA-N 308.337 3.615 0 40 DHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1C 7670362 ZWYXMGZSNIDYEI-CQSZACIVSA-N 302.399 3.544 0 40 DHAB CCCCOc1ccc(C(=O)OCC(=O)c2cccs2)cc1 7783944 DMGQYTDMQYRBKV-UHFFFAOYSA-N 318.394 3.967 0 40 DHAB O=C(COC(=O)c1ccc2c(c1)CCC2)c1ccc(Cl)cc1 7888040 JZWKAYNDABJEDE-UHFFFAOYSA-N 314.768 3.868 0 40 DHAB O=C(NCc1ccccc1)c1ccc(F)cc1Br 8060374 DYFGOIVPJQRQKI-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB COc1cc2c(OC)cccc2cc1C(=O)Nc1nccs1 8306577 ZJUVBQOHTMKEJR-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB Cc1ccc(-n2[nH]c3nccc(-c4ccccc4)c3c2=O)cc1 10157153 WNHDTKKZDAWHGV-UHFFFAOYSA-N 301.349 3.689 0 40 DHAB COc1cccc(NC(=O)NCCCOC2CCCCC2)c1 11557605 XTMINMRZSOBLJL-UHFFFAOYSA-N 306.406 3.556 0 40 DHAB CN(Cc1nccn1C(F)F)Cn1c(=S)oc2ccccc21 12520661 KDUZMNCPSLFZSS-UHFFFAOYSA-N 324.356 3.645 0 40 DHAB COc1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1C 12579064 MSFQBXMWMIFDPR-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB Cc1ccc(C)c(OCCOc2ccc3ccc(=O)oc3c2)c1 12766864 XMOGAVIGUTVZDL-UHFFFAOYSA-N 310.349 3.868 0 40 DHAB COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1F 12821214 IFIGDVNADFPIEU-UHFFFAOYSA-N 320.389 3.812 0 40 DHAB Cc1ccc2cc(NCc3cc4ccccc4[nH]c3=O)ccc2n1 13561291 IBSFBUKAZTWGJK-UHFFFAOYSA-N 315.376 3.997 0 40 DHAB Cc1cc(CSc2nc(NC3CC3)c3ccccc3n2)on1 14186170 ARJOZGBYEQILEJ-UHFFFAOYSA-N 312.398 3.793 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)c2cccc(C)c2)cc1 14188473 FCRJAMOMVBMLNZ-UHFFFAOYSA-N 310.441 3.767 0 40 DHAB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccccc1 14704748 UGIGQPHWVLWVSS-LLVKDONJSA-N 300.379 3.665 0 40 DHAB CC(C)[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 17055760 KLHHTOWTXHRNRS-AWEZNQCLSA-N 307.397 3.800 0 40 DHAB Cc1cnc(N2C(=O)CS[C@@H]2c2ccc(C)c(C)c2)s1 17198092 MYNNDHPFRFBFEO-CQSZACIVSA-N 304.440 3.847 0 40 DHAB COCCn1c(C)cc2cc(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)ccc21 19126296 TYSBBOAGJTZIPA-RVKKMQEKSA-N 324.424 3.747 0 40 DHAB CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20105550 RMEAGZPSPVJWEV-UHFFFAOYSA-N 305.399 3.556 0 40 DHAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1F 20137746 HQHALNWUHXVAQP-UHFFFAOYSA-N 311.312 3.830 0 40 DHAB OC(CNCc1ccccc1F)(c1ccccc1)c1ccccc1 20365938 HYGHUOZWMRFRMT-UHFFFAOYSA-N 321.395 3.851 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)Cc1cnc(-n2cccc2)s1 20763007 HVTQXCBFXOOHMQ-AWEZNQCLSA-N 319.474 3.807 0 40 DHAB biogenic O=C(CCc1nc2ccccc2[nH]1)Nc1cccc2cnccc12 21218401 VXSLEPXHIISACF-UHFFFAOYSA-N 316.364 3.682 0 40 DHAB COc1ccccc1CC(=O)N[C@@H](C)c1cc2ccccc2o1 21933413 UOKFOJQUQABJDA-ZDUSSCGKSA-N 309.365 3.861 0 40 DHAB Cc1ccc(C)c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 22862494 NDPLPQUTKGTLMQ-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB CCCC[C@@H](CC)C(=O)Nc1cccc(N2CCOC2=O)c1 24985367 HRMYYAOXXZQWLG-CYBMUJFWSA-N 304.390 3.798 0 40 DHAB C[C@@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccccc1 25417838 HXASQENKEMOQKF-HNNXBMFYSA-N 319.408 3.694 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 25727449 SMYKNLBAQOXLOX-PWSUYJOCSA-N 312.335 3.900 0 40 DHAB CCCc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 35594949 DSKDYBSSXISGTC-IBGZPJMESA-N 309.409 3.853 0 40 DHAB CC1CCN(Cc2ccc(CNC(=O)C(C)(C)C)cc2)CC1 40060380 NTPJEVLHIQCVGV-UHFFFAOYSA-N 302.462 3.581 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cccnc1 43786190 CEAIVUCGMXLIKS-DOMZBBRYSA-N 315.442 3.923 0 40 DHAB Cc1nc2ccccc2nc1N1CCO[C@@H](c2ccc(F)cc2)C1 44782309 MRCXTUOHWWEDBY-GOSISDBHSA-N 323.371 3.655 0 40 DHAB O=C(CCN1CCC[C@@H]1c1ccsc1)Nc1ccccc1 48367725 IHYQDRYYGZADGN-MRXNPFEDSA-N 300.427 3.914 0 40 DHAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccccc1 49466822 CYRZTMVTPZWDAG-VHSSKADRSA-N 323.392 3.850 0 40 DHAB Cc1ncc(CNCc2cccnc2Oc2ccccc2C)cn1 55072954 OGHWQZCZRDBXNZ-UHFFFAOYSA-N 320.396 3.571 0 40 DHAB COCc1ccccc1NCc1nc(-c2cccs2)no1 55848775 NSWVHJDZLFJHKY-UHFFFAOYSA-N 301.371 3.557 0 40 DHAB Cc1c([C@@H](C)NC(=O)NCc2ccccn2)oc2ccccc12 56780293 HAJWMMGNKBNWQD-CYBMUJFWSA-N 309.369 3.697 0 40 DHAB Cc1ccc(C)c(NC(=O)Cc2nnc(-c3ccsc3)o2)c1 62007280 OTXREJDEVAWLRL-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB CC[C@@H](CNc1nc(C(F)F)nc2ccccc12)N1CCCC1 66453285 DXBIPTTVUMTPSC-LBPRGKRZSA-N 320.387 3.854 0 40 DHAB CCNc1nnc(S[C@@H]2CCCc3ccccc3C2=O)s1 67428882 KCEKXTPGRZTUBQ-GFCCVEGCSA-N 319.455 3.650 0 40 DHAB O=C(/C=C/c1ccco1)Nc1ccc(NC2CCOCC2)cc1 69585477 OAGZUHPTODKBHL-BQYQJAHWSA-N 312.369 3.522 0 40 DHAB CCSCCSc1nnc(NCc2ccco2)s1 69919750 GBVQVLMYVMDGPA-UHFFFAOYSA-N 301.462 3.588 0 40 DHAB C[C@H](SCc1csc(-c2cccs2)n1)C(=O)NC1CC1 71818629 IHEIPPMOMIIRNL-VIFPVBQESA-N 324.496 3.772 0 40 DHAB CC(C)(C)c1ccc(N[C@H](C(N)=O)c2ccc(F)cc2)cc1 71822819 ZYVUQIREWWKMMQ-INIZCTEOSA-N 300.377 3.762 0 40 DHAB CCN(C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72212783 VKEYEUGNERIGHX-KRWDZBQOSA-N 309.413 3.515 0 40 DHAB O=C(OCCOc1c(Cl)cccc1Cl)[C@H]1CCCS1 72312538 ZHIYUGLTSSBNTC-LLVKDONJSA-N 321.225 3.811 0 40 DHAB c1cc(C2CCN(C3CCCCC3)CC2)nc(-n2ccnc2)c1 72379147 QPKYQWYCNPDDNP-UHFFFAOYSA-N 310.445 3.779 0 40 DHAB Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1cscn1 84013711 CFOBUJPGRWFGDB-UHFFFAOYSA-N 318.377 3.729 0 40 DHAB O=C(Nc1ccc(N2CCCC2)cn1)[C@@H]1CCCc2ccccc21 84581903 DCXHJEUHBNPXGW-GOSISDBHSA-N 321.424 3.740 0 40 DHAB CC(=O)c1ccc(OCc2ccccc2Cl)c(C(=O)O)c1 85397466 GEDLPXPXRVFZIB-UHFFFAOYSA-N 304.729 3.820 0 40 DHAB CCNC(=O)c1ccc(CN[C@H](C)c2cc(F)ccc2F)cc1 89977509 QXNXDXFAKOJSDA-GFCCVEGCSA-N 318.367 3.565 0 40 DHAB O=C(C[C@@H]1CCCN1C(=O)/C=C/c1ccsc1)c1ccco1 95412384 LVGJJGGBCCOIRF-GJBLVYBDSA-N 315.394 3.618 0 40 DHAB CCc1ccc2c(c1)c1nnc(S)nc1n2Cc1ccccc1 96319318 CXKGESHURZQGDJ-UHFFFAOYSA-N 320.421 3.879 0 40 DHAB CSCC[C@H](C)NC(=O)Nc1cccc(-c2ncc(C)o2)c1 96413410 PEVFCJDPWQCZPL-NSHDSACASA-N 319.430 3.913 0 40 DHAB CC[C@@H](C)NC(=O)CSCc1ccc(Br)cc1 107567804 HRRBPIXDWDRPNB-SNVBAGLBSA-N 316.264 3.597 0 40 DHAB CN(C)C(=O)c1cccc(COc2cnc3ccccc3c2)c1 187907950 XLMFYENRFOVHOE-UHFFFAOYSA-N 306.365 3.516 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)c1cnc(C2CC2)nc1C 222563478 YRSHDMAWQZKWAF-UHFFFAOYSA-N 301.777 3.877 0 40 DHAB CC(C)(C)CNC(=S)Nc1nccc(-c2cccs2)n1 225220524 LGJOUEXFNROWIZ-UHFFFAOYSA-N 306.460 3.538 0 40 DHAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc(F)c2)cc1 225773955 PDIKZYSAFPZKHG-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@@H]3C[C@@]13CC[C@H]2C[C@H]1CCCC[C@]13O4 247716945 NYWUQKFITQFOEY-KNEKCZJMSA-N 304.430 3.741 0 40 DHAB biogenic O=C(C1CCCCC1)N1Cc2nccn2C[C@@H]1c1ccccc1 257256336 KKZSFKZPITWDEU-QGZVFWFLSA-N 309.413 3.547 0 40 DHAB CCC[C@@H](CCC[C@@H](C)O)COC(=O)c1ccccc1C(=O)O 504052199 KNDRVUYMYPIFIU-KGLIPLIRSA-N 322.401 3.509 0 40 DHAB biogenic CCC(CC)CN1CCC[C@]2(C1)CN(CC1CCCCC1)C2=O 585099602 SDPHFZWCUMULQT-FQEVSTJZSA-N 320.521 3.927 0 40 DHAB COc1cccc(C(=O)NC[C@H]2CCCc3ccccc32)c1C 1532806484 KYPJEPPWTKVZQG-MRXNPFEDSA-N 309.409 3.854 0 40 DHAB CN(C)CC[C@@H]1c2ccc(Cl)cc2CCc2cccnc21 179 BYUAWKXUYPHXSR-QGZVFWFLSA-N 300.833 3.917 0 40 DHAB in-man COc1cccc(-c2nc3sc4c(c3c(=O)o2)CCCC4)c1 90071 PVPUVIHHXSLIRC-UHFFFAOYSA-N 313.378 3.804 0 40 DHAB CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccccc1)SCC2 213939 UWXVMIBCJRNBBP-LLVKDONJSA-N 318.467 3.771 0 40 DHAB COC(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1 269585 FYYOWOUOOSHKSB-UHFFFAOYSA-N 310.378 3.988 0 40 DHAB COc1ccc(C(=O)CCc2ccc(OC)c(OC)c2)cc1 481569 PWDBSXLUZSVYHG-UHFFFAOYSA-N 300.354 3.528 0 40 DHAB Cc1nc(C)n([C@H](Oc2ccc(Cl)cc2)C(=O)C(C)(C)C)n1 1238749 BBQIBADZFKXWOV-OAHLLOKOSA-N 321.808 3.741 0 40 DHAB CCCC(=O)NCCCc1nc2ccccc2n1CC(C)C 2460936 ZOQKDFVAQRHHGA-UHFFFAOYSA-N 301.434 3.541 0 40 DHAB CCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 2736251 LGSCQVLKDWDHKN-JTQLQIEISA-N 309.431 3.787 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2cccs2)c1 3454431 WIWWVUCYYPLCOO-UHFFFAOYSA-N 303.427 3.875 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)c(Cl)c2)c1C 3551228 RQEFASGCNIBKOF-UHFFFAOYSA-N 323.751 3.888 0 40 DHAB O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1 3903031 VRYOATOHSLRGGQ-UHFFFAOYSA-N 300.697 3.666 0 40 DHAB Cc1nc(S[C@@H](C(=O)O)c2ccccc2)nc2ccccc12 4247149 HFSUEOGNDQOATQ-OAHLLOKOSA-N 310.378 3.856 0 40 DHAB Cc1sc(NC(=O)c2ccccc2Cl)c(C(=O)O)c1C 4648115 WAEIENGOLBFTBV-UHFFFAOYSA-N 309.774 3.969 0 40 DHAB O=C(CNc1cccc(F)c1)Nc1ccc(Br)cc1 5702215 PQAVJAMEEYJXOV-UHFFFAOYSA-N 323.165 3.639 0 40 DHAB CCOC(=O)c1c(C)[nH]c(CN[C@H](C)c2ccccc2)c1C 6403582 IVGXWYFHTIPERG-CYBMUJFWSA-N 300.402 3.659 0 40 DHAB S=c1[nH]c(-c2ccccc2)nn1CN1CCc2ccccc2C1 6985929 OWAXFTMDFZZCGE-UHFFFAOYSA-N 322.437 3.623 0 40 DHAB Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 6995092 ZVYSIMUTQGXAHO-NSHDSACASA-N 316.426 3.594 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7882140 HTJBLVCEEGJKLM-RDJZCZTQSA-N 322.408 3.543 0 40 DHAB CCc1cccc(C)c1NC(=O)CNc1cc(C)ccc1OC 7972998 IFIHATOZEITXRV-UHFFFAOYSA-N 312.413 3.925 0 40 DHAB CCCCCCc1c(C)nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c1=O 8020285 UOFFHNRHOYVQKV-KBPBESRZSA-N 305.466 3.683 0 40 DHAB COc1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 8035481 OBQFKVKJMWJSGJ-UHFFFAOYSA-N 305.377 3.707 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)C2CCCC2)cc1OCC 8294694 APVBEOCZRXBQTN-CYBMUJFWSA-N 305.418 3.851 0 40 DHAB Cc1cccc(Cc2cnc(NC(=O)c3ccccn3)s2)c1 9365013 QZYVNWRCNAKMJB-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB Cc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)cc1 10697229 DWSLYVSHFYTZJX-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB O=C(NCCC1=CCCCC1)c1cn2cc(Cl)ccc2n1 12324008 BNAIRLTVGPWABR-UHFFFAOYSA-N 303.793 3.608 0 40 DHAB Cc1ccnc(NC(=O)CCC(=O)c2cc(C)sc2C)c1 12536823 WYDHLSIVKITELF-UHFFFAOYSA-N 302.399 3.670 0 40 DHAB CN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12949369 FCNCBFOLHANGMH-UHFFFAOYSA-N 310.328 3.850 0 40 DHAB CCc1ccc(CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 13858129 GRATWJKICLPPFL-UHFFFAOYSA-N 320.392 3.538 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCCOc1ccc(Cl)cc1 14237285 CGEOWFMYAHHUBK-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB CSc1ccccc1C(=O)NCCCN(C)c1ccccc1 17826597 AKBYSXWYINMRGN-UHFFFAOYSA-N 314.454 3.665 0 40 DHAB C[C@H]1CN(C(=O)c2ccccc2CCc2ccccc2)C[C@@H](C)O1 18227488 ONAQTCKZLOGETB-CALCHBBNSA-N 323.436 3.721 0 40 DHAB Cc1n[nH]c(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1 18266268 NELACKPYIURSBY-INIZCTEOSA-N 309.394 3.829 0 40 DHAB Clc1ccc(OCCCNC2CC2)c(Br)c1 20525315 QTMKCDBXUDXXJL-UHFFFAOYSA-N 304.615 3.623 0 40 DHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCC12CC3CC(CC(C3)C1)C2 21277079 OCFMPECODOLVCP-PHUDPNSLSA-N 313.441 3.544 0 40 DHAB Cc1nc(OCC(=O)Nc2ccc(C)c(C)c2)c2ccccc2n1 21361061 ZTTGVCKTJVGGDY-UHFFFAOYSA-N 321.380 3.573 0 40 DHAB O=C1CN(C(=O)c2cccc(Cl)c2Cl)c2ccccc2N1 22064144 CFLUICFJSCMXKR-UHFFFAOYSA-N 321.163 3.592 0 40 DHAB CCCCCC(=O)N[C@@H](N(CC)CC)C(Cl)(Cl)Cl 26688421 INXAHDPUFXRDIY-NSHDSACASA-N 317.688 3.721 0 40 DHAB COc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1 29053268 XRYFALNQXSBILB-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cnc2ccccc2n1 32810806 WRIPPLRUEWGQPL-RBSFLKMASA-N 309.413 3.719 0 40 DHAB O=C(COC(c1ccccc1)c1ccccc1)NCc1ccco1 32896110 KDPZEFPEUVHZHW-UHFFFAOYSA-N 321.376 3.702 0 40 DHAB O=C(CNCc1cccnc1)N(c1ccccc1)c1ccccc1 35313598 KVLSTUHPXYGLJN-UHFFFAOYSA-N 317.392 3.536 0 40 DHAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cccc(Cl)c2)n1 36612062 JUKLXIRMCDQFTN-LLVKDONJSA-N 320.824 3.611 0 40 DHAB CC(C)C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1 36630002 SQVUIVLMLBZWKA-UHFFFAOYSA-N 306.174 3.699 0 40 DHAB CCc1ccc(N2C(=O)C[C@H](Nc3ccccc3CC)C2=O)cc1 36635573 BPAXIRZDNDJAGH-SFHVURJKSA-N 322.408 3.555 0 40 DHAB O=C(Nc1ccc(Br)cc1F)NC1CCCC1 40097448 FIWJFBVNEDGLMQ-UHFFFAOYSA-N 301.159 3.652 0 40 DHAB Cc1ccc2c(CC(=O)N3c4ccnn4[C@@H](C)C[C@H]3C)coc2c1 40146287 ABMQPIVSRCGOIX-KGLIPLIRSA-N 323.396 3.867 0 40 DHAB Cc1ccc(NC(=O)CCSc2ncccn2)cc1Cl 40146482 RCCXSYPZTLREBT-UHFFFAOYSA-N 307.806 3.559 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(F)cc1 44899974 FJNYVDWAADIFMG-MRXNPFEDSA-N 301.361 3.608 0 40 DHAB c1ccc(Cc2noc(CN(Cc3ccccc3)C3CC3)n2)cc1 47406732 MADHRSLXXHQTHY-UHFFFAOYSA-N 319.408 3.825 0 40 DHAB C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(Cl)s1 48819370 IJODRJGUSROJSB-SECBINFHSA-N 313.781 3.738 0 40 DHAB Cc1cc(NC(=O)N[C@@H](C)c2ccccc2Br)no1 53248293 JDBOAVKDXVAQPS-VIFPVBQESA-N 324.178 3.628 0 40 DHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1CCc1ccccc1 57322262 JFTLEEFNJXIXPQ-KRWDZBQOSA-N 319.408 3.800 0 40 DHAB Cc1ccc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)cc1 57354762 YRPYYEXDTDUDAM-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3CC(C)(C)C)cc12 58415130 GXHFWRBTRPCNKL-CYBMUJFWSA-N 301.390 3.572 0 40 DHAB O=C(Nc1cccc2cccnc12)[C@@H]1CCOc2ccccc21 62638299 AESYFFSUKZDRGO-OAHLLOKOSA-N 304.349 3.740 0 40 DHAB CCOc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1 67814901 LWEDEGSBNVKCLF-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB c1ccc(CCCN2CCC(c3nnc4ccccn34)CC2)cc1 71117761 LVCXJCRYZILCSU-UHFFFAOYSA-N 320.440 3.542 0 40 DHAB CCCc1nc([C@@H](NC(=O)CC(C)(C)C)c2ccccc2)no1 71914365 SDSZAYJFCTWVON-INIZCTEOSA-N 315.417 3.664 0 40 DHAB CC(C)c1ncc2c(n1)CN(Cc1nc3ccccc3s1)CC2 72268529 NNKDPRNALAVCFB-UHFFFAOYSA-N 324.453 3.768 0 40 DHAB O=C(NCC[C@H](O)c1ccccc1)Nc1ccccc1Cl 75536014 KGANPMYMWGAGAQ-HNNXBMFYSA-N 304.777 3.585 0 40 DHAB Cc1nc(CCC(=O)Nc2ccnn2[C@@H](C)CC(C)C)cs1 79039103 OLQNYRLIRQVDTB-LBPRGKRZSA-N 320.462 3.826 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)N1CCC[C@H]1c1ccsc1 84968441 IOIVAENNOAAGFC-JSGCOSHPSA-N 318.467 3.987 0 40 DHAB Cc1ccc([C@@H](C)NCCCC(=O)N2Cc3ccccc3C2)o1 89596798 MVPSJEULUWTIDZ-OAHLLOKOSA-N 312.413 3.561 0 40 DHAB CC(C)c1nnc(CN2CCC[C@H]2c2ccc(Cl)cc2)n1C 95393600 XUBUCSWQLNFCNW-HNNXBMFYSA-N 318.852 3.929 0 40 DHAB O=c1c2ccc(Cl)cc2nc(S)n1-c1cccc(Cl)c1 95950812 CTWZLBMCZKHBLC-UHFFFAOYSA-N 323.204 3.981 0 40 DHAB Clc1ccccc1CN1CC(c2nc(-c3ccco3)no2)C1 96024292 KSOOMBXHWRSULC-UHFFFAOYSA-N 315.760 3.582 0 40 DHAB CO[C@@H](CNC(=O)Nc1ccccc1F)c1ccc(C)s1 96104875 KNIYHFWLBMNKQT-ZDUSSCGKSA-N 308.378 3.705 0 40 DHAB Cc1[nH]ncc1CCCNCc1ccc(Cl)c2cccnc12 96473018 MOEMIPRMLKISSG-UHFFFAOYSA-N 314.820 3.642 0 40 DHAB Cc1ccc(NC(=O)c2nc(C(C)C)ncc2Cl)cc1O 96475978 PDUYUDHXRNPDFL-UHFFFAOYSA-N 305.765 3.520 0 40 DHAB Cc1nnc(CSCCOc2cc(Cl)cc(Cl)c2)o1 97227805 QUQDLSPVFRNPCQ-UHFFFAOYSA-N 319.213 3.997 0 40 DHAB COCc1ccc(NC(=O)Nc2c(F)cccc2OC)cc1 194033288 LILZGCYXRLNOED-UHFFFAOYSA-N 304.321 3.625 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1ccc(F)cc1 222860662 UTOCCYUVJKIFMT-SFHVURJKSA-N 315.388 3.732 0 40 DHAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c(C)c1C 223861762 JWLXNUJMFZJKRI-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB Cc1cccc(OCCNC(=O)CCc2ccc(F)cc2)c1C 223968147 MAOGROIPBNAWJN-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1N 226263141 YAPUFVCREIMOGI-GFCCVEGCSA-N 315.442 3.961 0 40 DHAB CO[C@@H]1CC[C@H]2N(C(=O)c3c(C(C)C)noc3C)CC[C@@]2(C)C1 257206118 BBXZDFOUBKBALM-LBTNJELSSA-N 320.433 3.526 0 40 DHAB C[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)c1ccccc1 257248560 JEFFJBKLALXQLF-CIRADVTDSA-N 313.441 3.646 0 40 DHAB Cc1cccc([C@H]2CCN(Cc3cn(-c4ccccc4)nn3)C2)c1 544191588 HUDOMAPIUGSRCW-SFHVURJKSA-N 318.424 3.565 0 40 DHAB CCN1CCC(NC[C@@H](C)Oc2ccc(C(C)C)cc2)CC1 585082862 AATZNWOPAIGRHR-MRXNPFEDSA-N 304.478 3.651 0 40 DHAB CCOC1(c2nc(C3(CCOC)CCCC3)no2)CCCC1 585120309 GHJKEYNTDZDHTP-UHFFFAOYSA-N 308.422 3.724 0 40 DHAB CCC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 281100 NOYBPAGWEZQQMJ-UHFFFAOYSA-N 316.213 3.784 0 40 DHAB COc1ccc(CC(=O)Nc2cccc(Br)c2)cc1 2181342 IEDUVHKPJWPPQY-UHFFFAOYSA-N 320.186 3.639 0 40 DHAB CCOC(=O)CCCCC(=O)c1cccc(Br)c1 2567572 WBPHALFXTSWKHZ-UHFFFAOYSA-N 313.191 3.755 0 40 DHAB O=C(O)c1ccccc1N(Cc1ccccc1)C(=O)c1ccco1 3170787 XINUKQKUNDZFFK-UHFFFAOYSA-N 321.332 3.825 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1cccs1 3298006 VXBXEJIPEDTCOA-SOFGYWHQSA-N 316.378 3.716 0 40 DHAB Cc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2)cc1 3452779 IDVIOXWEHRVILP-AWEZNQCLSA-N 323.421 3.939 0 40 DHAB CCCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1OC 3551583 KSSSWSBUDMIXDL-UHFFFAOYSA-N 317.360 3.553 0 40 DHAB O=C(O)c1oc2ccc(Br)cc2c1-n1cccc1 3646835 GPSKNTJPTFZHCM-UHFFFAOYSA-N 306.115 3.684 0 40 DHAB CCC(=O)Oc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 4340118 UZOKJJOQIWAQGW-UHFFFAOYSA-N 324.332 3.784 0 40 DHAB biogenic C[C@@H]1CCc2nc(NC(=O)CSc3ccccc3)sc2C1 4496617 ONLOKQVDGXJEFA-LLVKDONJSA-N 318.467 3.999 0 40 DHAB O=C(CCSC1=NCCS1)Nc1ccc(Cl)cc1 4668898 BQYXWFMZOFJPFH-UHFFFAOYSA-N 300.836 3.505 0 40 DHAB CCCC(CCC)C(=O)NC1CCN(Cc2ccccc2)CC1 4866621 KOBBXTNLFUYMAG-UHFFFAOYSA-N 316.489 3.984 0 40 DHAB CN(C[C@@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2)C1CCCCC1 6617272 NYKSCGZFZQRKJK-UIXUWTQFSA-N 323.521 3.843 0 40 DHAB Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2C)c1C 7878253 LMZCBIBDFWDLTM-CQSZACIVSA-N 314.454 3.923 0 40 DHAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 8086384 LNJATJFLSAAGCR-AAEUAGOBSA-N 300.427 3.658 0 40 DHAB COc1c(C)cc(S(=O)(=O)Nc2ccc(C)cc2)c(C)c1C 8132541 YGPUKSCAVPTPIY-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c[nH]nc12 8615304 NLDGHLGLNVFXFH-TUIIKVOISA-N 312.457 3.747 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1 8936879 GHTCLBLXFNJPLI-UHFFFAOYSA-N 304.393 3.558 0 40 DHAB COc1ccc(Cl)cc1CSC1=N[C@@H]2CCCC[C@@H]2N1 9722572 ODDKGRZCRWWFJM-BETUJISGSA-N 310.850 3.852 0 40 DHAB CNc1nn(-c2ccc(C)cc2)c2c1C(=O)C[C@@H](c1ccco1)C2 9936337 HNCYMKDYDQWUJA-ZDUSSCGKSA-N 321.380 3.728 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(Cl)cc2Cl)C1 12629329 SAYTUDPIINRNJW-PHIMTYICSA-N 316.228 3.877 0 40 DHAB Cc1ccc(C)c(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12632522 BDAMTNACEILWEQ-GFCCVEGCSA-N 303.793 3.791 0 40 DHAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1C=O 12847870 YOVMOEKJGAZPGH-UHFFFAOYSA-N 323.249 3.675 0 40 DHAB Cc1nn(C)c2sc(C(=O)NCc3ccccc3Cl)cc12 12884667 YSJIAJOZXYYORA-UHFFFAOYSA-N 319.817 3.527 0 40 DHAB COc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(F)cc1)CC3 15842123 HLVCBNMLZGYVLY-UHFFFAOYSA-N 322.339 3.585 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N(C)C)o1 15860131 HHMKDEAALNKKFE-GOSISDBHSA-N 322.408 3.774 0 40 DHAB CCCC[C@@H](CC)CNC(=O)c1cc(OC)c(OC)cc1OC 16023783 AJXLUNIDHVSZEI-CYBMUJFWSA-N 323.433 3.659 0 40 DHAB COc1ccc(CN2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 19927312 AFXMBEHRPHCZKA-KRWDZBQOSA-N 317.385 3.609 0 40 DHAB CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 20454031 ATFWDJOUUNAWPC-GOSISDBHSA-N 317.454 3.893 0 40 DHAB CCc1nnc(NC(=O)c2cc3c(C)cc(C)c(C)c3[nH]2)s1 21289586 ITCVGFDSBQFLGD-UHFFFAOYSA-N 314.414 3.759 0 40 DHAB Cc1cccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c1C 22236217 DTBIADAPQYGYEF-UHFFFAOYSA-N 324.355 3.547 0 40 DHAB CSCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 22914090 JCVTVQBSSVUORD-UHFFFAOYSA-N 314.410 3.760 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(-c3nnco3)c2)C1(C)C 24738319 VCUCYYPTQIBKRM-LSDHHAIUSA-N 311.385 3.914 0 40 DHAB CC(=O)Nc1ccccc1OCc1noc(-c2ccc(C)cc2)n1 25347177 VXTUVIBKDQZKSP-UHFFFAOYSA-N 323.352 3.582 0 40 DHAB Cc1cccc(C)c1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 26832672 JFXWPBYKWIPVRZ-UHFFFAOYSA-N 323.245 3.660 0 40 DHAB c1ccc(-c2noc(CSc3cnc4ccccc4n3)n2)cc1 27544262 VUUUROBSIRWPFG-UHFFFAOYSA-N 320.377 3.972 0 40 DHAB CC(C)c1cc(C(=O)NCC[C@H]2CCCO2)c2ccccc2n1 29957307 YPBAWDDJMMSZIG-CQSZACIVSA-N 312.413 3.657 0 40 DHAB CCc1noc(C)c1C(=O)Nc1nc2c(F)cc(F)cc2s1 32727217 XSOIGSZNVVIBSF-UHFFFAOYSA-N 323.324 3.686 0 40 DHAB Cc1ccccc1OCCCC(=O)Nc1ccc(Cl)cn1 40050479 SVBZPCFXRLWTDG-UHFFFAOYSA-N 304.777 3.841 0 40 DHAB CCCc1nnc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 40141360 WZKULMMIXMFADF-BDAKNGLRSA-N 321.368 3.798 0 40 DHAB CSc1ccc(CN(C)Cc2noc(C(C)(C)C)n2)cc1 48253132 AIHKENHYHYJSFY-UHFFFAOYSA-N 305.447 3.721 0 40 DHAB CCOC(=O)c1ccc(N[C@H](C)c2cc(F)ccc2OC)nc1 48368801 IWNVBFWBHNKLLB-LLVKDONJSA-N 318.348 3.579 0 40 DHAB Cc1sc(CNC(=O)C2CC2)nc1-c1ccc(Cl)cc1 48945338 DYULVOBQOSSCMJ-UHFFFAOYSA-N 306.818 3.798 0 40 DHAB CCCCN1COc2c(cc3c(CC)cc(=O)oc3c2C)C1 57122042 IFUSUXYKQIMABR-UHFFFAOYSA-N 301.386 3.616 0 40 DHAB Cc1cccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)c1 57717490 HSPUPRSMHZPQBZ-UHFFFAOYSA-N 318.423 3.714 0 40 DHAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)C1CCCC1 58426141 YIQVSBRHNGGVJU-UHFFFAOYSA-N 312.413 3.923 0 40 DHAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NC1CCCCCCC1 60141970 FUFCCHGWJCKKEM-UHFFFAOYSA-N 312.454 3.519 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1CCC1=CCCCC1 65184365 YRHKRRHVYOCLJN-UHFFFAOYSA-N 305.805 3.952 0 40 DHAB COc1cccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)c1 65467043 AWKDUMKNYUHFOY-OAHLLOKOSA-N 324.424 3.673 0 40 DHAB CCC(=O)Nc1ccc([C@H](C)NCc2csc(CC)n2)cc1 67186609 BFWUCXVFBMIAOH-LBPRGKRZSA-N 317.458 3.905 0 40 DHAB CC[C@H](C)Sc1ccc(NC(=O)N2CCC[C@H](O)C2)c(C)c1 69536109 HZAUUKCMCMROQA-KBPBESRZSA-N 322.474 3.874 0 40 DHAB C[C@H](c1cccnc1)N(C)C(=O)NCc1ccc(F)c(Cl)c1 69652849 YKHNAOLGOOHEFF-LLVKDONJSA-N 321.783 3.777 0 40 DHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCc1ccccc1Cl 69756331 GHLBUAZZWQBIIJ-SNVBAGLBSA-N 306.793 3.537 0 40 DHAB Cc1sc(NC(=O)C2CCC2)c(C(N)=O)c1-c1ccccc1 71798351 NZDGUZADQDSXRV-UHFFFAOYSA-N 314.410 3.561 0 40 DHAB CCCNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72213202 SVAROYXVZNULED-QGZVFWFLSA-N 309.413 3.881 0 40 DHAB CCCN1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214319 NFLSYUTZKQRFTB-CQSZACIVSA-N 305.422 3.976 0 40 DHAB COc1ccc(C(=O)Nc2cnc(C)c(Cl)c2C)cc1OC 72265142 NZDQFOQSDDNNOD-UHFFFAOYSA-N 320.776 3.621 0 40 DHAB CC(C)[C@@H]1CN(C(=O)CCc2cscn2)c2ccccc2N1 75092696 AVLKAZGAOBWRRW-HNNXBMFYSA-N 315.442 3.559 0 40 DHAB O=C1CCCN1C[C@H](Nc1nc2ccccc2o1)c1ccccc1 78333863 ATNRXPKNINDQGI-INIZCTEOSA-N 321.380 3.603 0 40 DHAB CN[C@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C(C)C 79437864 URQCCMFLWKGVAR-IRXDYDNUSA-N 304.434 3.564 0 40 DHAB CC(C)N(C(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 89869674 BZXOBYJCWTYRJB-UHFFFAOYSA-N 312.291 3.678 0 40 DHAB CO[C@H](CN[C@@H](C)c1cnc(C)nc1C)c1ccccc1Cl 90453404 JRVXACUDALASGE-APPDUMDISA-N 319.836 3.785 0 40 DHAB CC(C)C[C@H](CN)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 94696948 GRANSQCOQUDLNC-GHMZBOCLSA-N 317.260 3.792 0 40 DHAB Oc1ccc(O)c(-c2ccnc3c(-c4ccc(F)cc4)cnn23)c1 95475186 OBMDYGIIJNJBNF-UHFFFAOYSA-N 321.311 3.614 0 40 DHAB C[C@@]1(NC(=O)COc2ccccc2F)CCCc2ccccc21 95958479 GOHWIDVHPUUJBS-LJQANCHMSA-N 313.372 3.572 0 40 DHAB C[C@H](NC[C@@H]1CCC[C@H](O)C1)c1ccc(Br)s1 95968409 NBNASDKABFTIJP-AXFHLTTASA-N 318.280 3.712 0 40 DHAB CO[C@H](CNC(=O)c1ccccc1Cl)c1ccccc1C 96104938 NESUZQOAIATLOK-MRXNPFEDSA-N 303.789 3.766 0 40 DHAB CC[C@@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 97234560 DOGQEFKLVUFHED-KGLIPLIRSA-N 318.446 3.859 0 40 DHAB CCCCOc1ccc(C(=O)Nc2cccc(O)c2)cc1OC 98066718 IIZABHKJLCPZBM-UHFFFAOYSA-N 315.369 3.832 0 40 DHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CCCC[C@@H]1C 105330906 XXFFNUBOFHXZRJ-RWMBFGLXSA-N 317.458 3.738 0 40 DHAB O=C(NCC[C@H](CCO)c1ccccc1)c1ccccc1Cl 206624839 PYWMDHCNDJXSDS-OAHLLOKOSA-N 317.816 3.626 0 40 DHAB CCSc1ccccc1C(=O)NCCN(C)c1ccccc1 219647852 XWBFJGVVDMUHSZ-UHFFFAOYSA-N 314.454 3.665 0 40 DHAB O=C(NCCOc1ccc2ccccc2c1)NC1CCCCC1 223646933 RDTTYUCGKMPVRW-UHFFFAOYSA-N 312.413 3.851 0 40 DHAB CC1(C)CC(=O)[C@H]2C(c3cc(Cl)cc(Cl)c3)=NN[C@H]2C1 228930434 AFVOKJASULFNCN-AAEUAGOBSA-N 311.212 3.675 0 40 DHAB COC(=O)c1scc(C)c1NC(=S)Nc1ccc(F)cc1 575442383 GRYLLGVGGFMHHR-UHFFFAOYSA-N 324.402 3.791 0 40 DHAB C[C@@H](Cc1csc2ccccc12)Nc1ncnc2c1cnn2C 1775972728 SQLBGRMAVSWONX-NSHDSACASA-N 323.425 3.621 0 40 DHAB O=C(Nc1ccc(-c2csnn2)cc1)c1cccnc1Cl 165038 ANMMFFACFBVLPM-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB COc1ccc(NC(=O)c2ccc(F)cc2)cc1Br 570582 RTVAZASTICGNEE-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB COc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1 1356276 VQHFPAOGLORTKH-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB CN(C)c1cc2c(cc1Br)-c1ccccc1C2=O 1694585 KHAWBGWPLXAGNI-UHFFFAOYSA-N 302.171 3.727 0 40 DHAB COC(=O)c1ccc(COC(=O)/C=C/c2ccc(C)cc2)cc1 2648962 VKIUNLADUAKGPU-FMIVXFBMSA-N 310.349 3.538 0 40 DHAB Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 3243524 WBXCCVUDYILLMC-UHFFFAOYSA-N 308.256 3.595 0 40 DHAB COc1ccc(CC(=O)Nc2ccccc2SC)cc1OC 4778123 XQOBLYSQPDUOHP-UHFFFAOYSA-N 317.410 3.607 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=S)NC(=O)c1ccccc1Cl 5559471 KLLGQTYQLZBSLF-MFKMUULPSA-N 310.850 3.523 0 40 DHAB COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)O 5968115 RCSSVLYKTAPUPP-CXUHLZMHSA-N 323.348 3.531 0 40 DHAB Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2C[C@@H]2C)c2ccccc2)cc1 6639964 WPZORLNZTXBGHQ-QGTPRVQTSA-N 323.392 3.874 0 40 DHAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccncc1 6879097 MBCFWJDTCNCHFD-UHFFFAOYSA-N 321.405 3.946 0 40 DHAB COc1ccccc1NC(=S)NCCCc1ccccc1 6955309 ATCXWFQNYBHQRP-UHFFFAOYSA-N 300.427 3.614 0 40 DHAB CCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 7420087 LFMNHKUSLRGUDA-CQSZACIVSA-N 314.404 3.847 0 40 DHAB COc1ccc(NC(=O)c2ccc(F)cc2Br)cc1 8060460 LVQVHFSPKDQOLB-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156166 PISNYIZDZWJOBZ-INIZCTEOSA-N 315.413 3.702 0 40 DHAB O=C(CSc1ccccc1)Nc1ccc(Cl)c(C(=O)O)c1 8391139 HTUDHIZPWBIXKS-UHFFFAOYSA-N 321.785 3.769 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2cccs2)c1C 9254651 BIBUAXSYXOICKB-NSHDSACASA-N 304.415 3.729 0 40 DHAB c1ccc(-c2cc(COc3ccc(-c4nnco4)cc3)no2)cc1 12037582 HGEGNTWVTANGCZ-UHFFFAOYSA-N 319.320 3.971 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 13016967 ZOSHTBGCFMCDRD-BFYDXBDKSA-N 301.430 3.899 0 40 DHAB C[C@H]1CN(C(=S)Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 13464875 BYHXGPOWQFEEGT-AOOOYVTPSA-N 318.364 3.511 0 40 DHAB Cc1cccc2cc3c(nc12)N(C(=O)NC1CCCCC1)CC3 15842041 JXPVQNNGCVQZJY-UHFFFAOYSA-N 309.413 3.948 0 40 DHAB CC(=O)c1c(F)cccc1NCc1ccc(Cn2cccn2)cc1 16738575 AXLPEVBUKBSPFG-UHFFFAOYSA-N 323.371 3.885 0 40 DHAB CN1CCCN[C@H]1c1ccc(-c2ccc(Br)cc2)o1 19324408 SROPGFFLPSJEKT-OAHLLOKOSA-N 321.218 3.633 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373786 DBHYFDDKMQQRBN-GCLMUHHRSA-N 313.441 3.644 0 40 DHAB CCC(CC)C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19500156 MHLGFCGQNQOYGI-MRXNPFEDSA-N 312.417 3.571 0 40 DHAB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccs1 19527165 LPJQELOSUQXACF-QGZVFWFLSA-N 315.486 3.630 0 40 DHAB Fc1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1 19738590 PIVDPBZLACTZSC-GOSISDBHSA-N 301.361 3.996 0 40 DHAB Cc1cc(NC(=S)Nc2cc(Cl)ccc2Cl)[nH]n1 20375575 CVDMFXGFWIDUGW-UHFFFAOYSA-N 301.202 3.834 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 22479925 UDRLZRVNFSDSAC-UHFFFAOYSA-N 315.388 3.932 0 40 DHAB O=C(/C=C/c1cccs1)NCc1coc(-c2cccs2)n1 26064676 ICKVYFLPHQPAKA-AATRIKPKSA-N 316.407 3.794 0 40 DHAB O=C(COC(c1ccccc1)c1ccccc1)Nc1nccs1 32674640 VNZCZHBWKYXLLO-UHFFFAOYSA-N 324.405 3.888 0 40 DHAB CCCc1n[nH]c(SCc2ccccc2Br)n1 32907140 RUMCEGQTFDWPCY-UHFFFAOYSA-N 312.236 3.812 0 40 DHAB Cc1cccc(-c2nccc(Oc3cccc(C(=O)O)c3)n2)c1 32918495 YCUTXJMVYHZMAW-UHFFFAOYSA-N 306.321 3.943 0 40 DHAB O=C(Nc1nc(C2CC2)cs1)c1cc(-c2ccccc2)no1 33167649 CGKNWBMABJYLAH-UHFFFAOYSA-N 311.366 3.928 0 40 DHAB CN1C(=O)/C(=C/c2ccccc2Br)c2ccccc21 33447516 MGFTZEBSPQRUKU-JLHYYAGUSA-N 314.182 3.966 0 40 DHAB CCCN(CC(=O)N(C)Cc1ccsc1)Cc1ccccc1 39985882 WHRFKOMMXLAQAQ-UHFFFAOYSA-N 316.470 3.619 0 40 DHAB Cc1cc(Cl)ccc1NCC(=O)Nc1cc(C(C)(C)C)no1 40007892 OFVQXPCOIRLAJL-UHFFFAOYSA-N 321.808 3.985 0 40 DHAB COc1ccc([C@H](O)c2cccc(Br)c2)cc1OC 40243569 KDCKUIMUXMCYFY-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB CCOc1ccc(-c2nc(C)c(C(=O)NC(C)C)s2)cc1 43802476 HINXTSLMMQWNRY-UHFFFAOYSA-N 304.415 3.655 0 40 DHAB C[C@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1ccccc1 44087557 AJLPUWXJLLXXLE-LBPRGKRZSA-N 308.341 3.619 0 40 DHAB CNc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)cc(Cl)n1 50776806 FIRLOUALAFQOJZ-CYBMUJFWSA-N 307.825 3.572 0 40 DHAB CCCN(C(=O)c1cccc[n+]1[O-])[C@H](C)c1cc2ccccc2o1 53371949 JDKHWLUPXDBFNS-CQSZACIVSA-N 324.380 3.680 0 40 DHAB O=C(c1cccnc1Oc1cccnc1)N1CCCCCCC1 58368268 BOULQDUIEAGWBR-UHFFFAOYSA-N 311.385 3.675 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N[C@H]1C[C@H]1c1ccccc1 67502615 LUBWXTIURTXCJI-HKUYNNGSSA-N 304.393 3.773 0 40 DHAB Cc1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)no1 67608084 ZOMKMQVDYYLBQH-OAHLLOKOSA-N 319.792 3.587 0 40 DHAB COc1ccc(OC)c(NC(=O)Cc2cccc(Cl)c2)c1 67788392 CGQYULBBYLXYQB-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB CCCc1nc(C)c(CNC2CC(C)(C)NC(C)(C)C2)s1 67856634 SZECOUJPGJJJAY-UHFFFAOYSA-N 309.523 3.803 0 40 DHAB CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc[nH]1 68774520 AMVRFHIUBUCZFN-UHFFFAOYSA-N 301.346 3.614 0 40 DHAB C[C@H]1[C@@H](C)SCCN1Cc1nnc(-c2ccccc2Cl)o1 71911155 PIMVHAPQPRLHEI-WDEREUQCSA-N 323.849 3.716 0 40 DHAB COCc1ccccc1C(=O)NC(C)(C)c1nc(C)c(C)s1 72290573 WBUWRDVRLLWJFJ-UHFFFAOYSA-N 318.442 3.571 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3n2C)c1 72405866 HDPVKHLLRSUTFQ-UHFFFAOYSA-N 310.328 3.772 0 40 DHAB C[C@H](Nc1ncnc2[nH]ncc12)c1ccc(-c2cccnc2)cc1 75092073 KUWDPONSRDTWLS-LBPRGKRZSA-N 316.368 3.588 0 40 DHAB Clc1nc(NCCCOC2CCOCC2)cc2ccccc12 78339034 WYVPYDPSJJERTL-UHFFFAOYSA-N 320.820 3.886 0 40 DHAB O=C(CCc1ccco1)N1CC[C@H](CSc2ccccc2)C1 81287489 PGANBAWZLKISAG-HNNXBMFYSA-N 315.438 3.853 0 40 DHAB COC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1Cl 85397446 OAMUHCUSBQPOAN-UHFFFAOYSA-N 318.756 3.908 0 40 DHAB CCc1nc2ccccc2n1C1CCN(C(=O)c2ccoc2)CC1 93022162 GOMQLSHAYGXQTM-UHFFFAOYSA-N 323.396 3.669 0 40 DHAB COC(=O)Nc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2)cc1 95420444 RHUNSMDWSBNVDR-NSHDSACASA-N 320.339 3.994 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)c1ccc(Br)c(O)c1 95432802 YULPWBKIPJBLSW-SNVBAGLBSA-N 314.223 3.709 0 40 DHAB C[C@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2 95451049 KUTJZVFQMVZUKS-JTQLQIEISA-N 319.499 3.859 0 40 DHAB Fc1ccc(Br)cc1N1CCN=C1c1ccccc1 95915637 OKBFOCBZJZJROB-UHFFFAOYSA-N 319.177 3.855 0 40 DHAB CC(C)c1nnc(NCc2sccc2Br)o1 95943127 JOYQVVKLVJYQKT-UHFFFAOYSA-N 302.197 3.629 0 40 DHAB CC1(C)C[C@H](NCCc2cn3ccccc3n2)c2ccccc2O1 95967252 YCKCDDPJTSJMMB-KRWDZBQOSA-N 321.424 3.769 0 40 DHAB O=C(NC[C@@H]1CCC[C@H]1O)N(c1ccccc1)c1ccccc1 96007712 UHTNTONQGBPWSW-MAUKXSAKSA-N 310.397 3.695 0 40 DHAB O=C(C[C@@H]1CCCO1)Nc1ccccc1CCC(F)(F)F 96462307 AELPNXLKFIAHHV-LBPRGKRZSA-N 301.308 3.689 0 40 DHAB COC(=O)c1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1 96621755 SMIPHJYAGBAMDV-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1cc(CNCC(C)(C)CN(C)C)cc(C)c1OC(F)F 98078520 JNGHTLVJYMHBCD-UHFFFAOYSA-N 314.420 3.582 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2ccccn2)cs1 102312864 VSWGQYYTVBZMHR-AVGNSLFASA-N 313.426 3.970 0 40 DHAB C[C@@H]1[C@H](OC[C@@H](O)CSc2ccccn2)[C@H]2CC[C@H]1C2(C)C 106220002 TWDXDPVWDPRXGY-GHYKFQNRSA-N 321.486 3.622 0 40 DHAB C/C(=C\c1ccccc1)CNC1CCN(C(=O)CC(C)C)CC1 192674862 RPWCTJNJBYYWPW-SAPNQHFASA-N 314.473 3.717 0 40 DHAB CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccccc1 208562317 RHACBJHPSTVSMW-KHPPLWFESA-N 313.309 3.552 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccccc1F 225449693 DYGLYIMKDXHWSK-SFHVURJKSA-N 313.372 3.571 0 40 DHAB Cc1cccc2cc(C(=O)NC3CCCCCCC3)c(=O)oc12 226035776 IYSAHIANENSIPU-UHFFFAOYSA-N 313.397 3.944 0 40 DHAB C1=CO[C@H](CNc2ccccc2OCc2cscn2)CC1 252489375 JPOMAADNWLBAPJ-AWEZNQCLSA-N 302.399 3.827 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@H](O)CN1CCCCCC1)C2 253531687 XSERORFSPSIMSS-JPLJXNOCSA-N 323.521 3.845 0 40 DHAB CCn1nccc1-c1cc(C)nc([C@H]2CCCCN2C(C)C)n1 257234126 GSGDCINYNIDUHB-QGZVFWFLSA-N 313.449 3.604 0 40 DHAB Cc1cc2c(cc1-c1ccnc3ncnn13)[C@H](C)CC(C)(C)N2 575473182 LFBQWQCGYOJGRW-GFCCVEGCSA-N 307.401 3.797 0 40 DHAB CC1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 102178 MMVUYBKTRJCVDM-UHFFFAOYSA-N 304.397 3.928 0 40 DHAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1 189395 JUVHZESVNFKRLS-UHFFFAOYSA-N 321.405 3.871 0 40 DHAB CCOc1ccc(-c2nnc(N(CC(C)C)C(C)=O)s2)cc1 1345561 XVLOTVFOXQXIKW-UHFFFAOYSA-N 319.430 3.613 0 40 DHAB COc1ccc2ccccc2c1[C@H](Cc1ccccc1)NCCO 1594051 ZOFVJRDYJOVIKH-IBGZPJMESA-N 321.420 3.714 0 40 DHAB CCC[C@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3290068 JHMQAJWLECRXCL-VIFPVBQESA-N 318.200 3.911 0 40 DHAB O=C(CCC1CCCC1)Nc1cccn(Cc2ccccc2)c1=O 5000845 MPLABURSQDFOPN-UHFFFAOYSA-N 324.424 3.806 0 40 DHAB COc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 6152230 FCNROCKGYYYGGP-UHFFFAOYSA-N 311.259 3.846 0 40 DHAB CCCOc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 7262729 MSUXSJQLVUOJMH-UHFFFAOYSA-N 303.333 3.632 0 40 DHAB c1csc(-c2nc(COc3ncnc4ccccc34)co2)c1 8391026 ZUGRNSTVEDMBHX-UHFFFAOYSA-N 309.350 3.925 0 40 DHAB CCCCN(CC)Cc1c(C)nc2ccc(N(C)C)cc2c1O 8717513 ZRRXMZBIGLNSGR-UHFFFAOYSA-N 315.461 3.937 0 40 DHAB COc1ccc2nc(NC(=O)c3cc(Cl)ccn3)sc2c1 8993856 TZGMMLJLCCCKHG-UHFFFAOYSA-N 319.773 3.606 0 40 DHAB c1csc(-c2cc(-c3nc(-c4cccs4)no3)[nH]n2)c1 9002125 QHDDFASWQKHMGN-UHFFFAOYSA-N 300.368 3.917 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@H](C)c3cccs3)cc12 9514462 MGJDSOUUCWYMJZ-SNVBAGLBSA-N 315.398 3.899 0 40 DHAB c1cnn(Cc2ccc(CNc3ncnc4ccsc34)cc2)c1 9580014 GQOWOGLYQCAEJR-UHFFFAOYSA-N 321.409 3.548 0 40 DHAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 9726636 NMSABTLKWHBBAV-ZDUSSCGKSA-N 321.417 3.818 0 40 DHAB CN(C(=O)C1=C(c2ccccc2)SCCO1)c1ccccc1 12388839 UNNPTEKVTIYOBX-UHFFFAOYSA-N 311.406 3.782 0 40 DHAB O=P(O)(O)C1(Nc2ccc(OC(F)F)cc2)CCCCC1 12537699 PHNYZYUKTICPGY-UHFFFAOYSA-N 321.260 3.538 0 40 DHAB Cc1cc(NCc2cccc(C(F)(F)F)c2)n2ncnc2c1 12736815 MDRUDQLNALIKBS-UHFFFAOYSA-N 306.291 3.669 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2Cl)c2c(C)noc2n1 14179832 OMFNFZHZOPIGAX-UHFFFAOYSA-N 301.733 3.745 0 40 DHAB O=c1c2ccccc2nc2sc(-c3ccc(Cl)cc3)nn12 17052604 QBKFHLGINDFXTA-UHFFFAOYSA-N 313.769 3.625 0 40 DHAB CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19501685 HGAJLESYHYZMID-NSHGMRRFSA-N 314.473 3.656 0 40 DHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1O 21143518 WIBUYCZZOTUKAK-UHFFFAOYSA-N 305.761 3.842 0 40 DHAB O=C1c2cccc3cccc(c23)N1CN1CCc2ccccc2C1 23224748 OTLNCOVNMYATPA-UHFFFAOYSA-N 314.388 3.816 0 40 DHAB COc1ccc(NC(=O)NCCCOC2CCCCC2)cc1 23234263 FIBOZEGEEWPIDK-UHFFFAOYSA-N 306.406 3.556 0 40 DHAB CC(=O)NCc1ccc(-c2csc(Nc3ccccc3)n2)o1 23386337 OICWNIMXQMELOA-UHFFFAOYSA-N 313.382 3.783 0 40 DHAB COCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1 26854755 VDEMDGHVMLGOLV-UHFFFAOYSA-N 305.761 3.618 0 40 DHAB COc1ccc(C)cc1C(=O)CCC(=O)NC1CCCCCC1 33028162 AWQZNHWPLPXNOZ-UHFFFAOYSA-N 317.429 3.806 0 40 DHAB Nc1scc(-c2ccncc2)c1C(=O)OC1CCCCC1 36224751 TUNYFVDLPHNMGX-UHFFFAOYSA-N 302.399 3.882 0 40 DHAB Cc1c(NC(=O)Cc2ccccc2)cccc1NC(=O)C1CC1 36567602 FRIJZZUJAKENRK-UHFFFAOYSA-N 308.381 3.525 0 40 DHAB CCc1ncc(C(=O)N[C@@H](c2ccccc2)c2ccco2)s1 48364401 FKODNEXWQPTQII-INIZCTEOSA-N 312.394 3.818 0 40 DHAB O=C(c1ccc(F)cc1)N1CCc2cc(Br)ccc21 49355703 IDQRKDUXLZTIPH-UHFFFAOYSA-N 320.161 3.791 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccc(F)cc1 51315982 ILUPEGVEGNJUON-SNVBAGLBSA-N 315.373 3.768 0 40 DHAB Cc1noc(C)c1CCC(=O)N(CC1CCCCC1)C1CC1 55825935 FVYUMPZQQXDVDK-UHFFFAOYSA-N 304.434 3.795 0 40 DHAB COc1cc(C(=O)N(C(C)C)C2CCCC2)cc(OC)c1OC 57750650 SHDSFRZRINQGFH-UHFFFAOYSA-N 321.417 3.506 0 40 DHAB O=C(c1ccc2cc[nH]c2c1)N1CCO[C@@H](c2ccccc2F)C1 66689798 QQRKLSAZQZGZRO-GOSISDBHSA-N 324.355 3.521 0 40 DHAB Cc1cc(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)on1 71893566 YIEJGWIDEIRMBU-UHFFFAOYSA-N 322.368 3.607 0 40 DHAB CCOC[C@H]1CCCN(C(=O)NCC[C@@H](C)c2ccccc2)C1 71905352 WBDBYFBNMKGTKQ-SJORKVTESA-N 318.461 3.638 0 40 DHAB CC(C)(C)c1cc(C(=O)NCc2nc3ccccc3s2)no1 72296573 UUXBCQCLILROGM-UHFFFAOYSA-N 315.398 3.512 0 40 DHAB CC(=O)N1CCC[C@H](c2ccc(Cc3ccc(C)cc3)cn2)C1 72374148 WHQBMDPBFXJKEG-IBGZPJMESA-N 308.425 3.707 0 40 DHAB Cc1ccc(SCCN2CC[C@@H](N3CCCC3)C2)cc1C 84180931 GNUGYQNWSBUILC-QGZVFWFLSA-N 304.503 3.566 0 40 DHAB O=C(N[C@H]1CCCOc2ccccc21)c1ccc2c(n1)CCCC2 89857770 DVARAZREKIZVNL-KRWDZBQOSA-N 322.408 3.604 0 40 DHAB C1=C(CN2CCC[C@H](c3nccs3)C2)COc2ccccc21 92788736 SSIFKBCLOCMUMT-INIZCTEOSA-N 312.438 3.799 0 40 DHAB O=C(O)Cc1sc(N2CCCCCC2)nc1-c1ccccc1 95097090 NREIPBUTEXQLLF-UHFFFAOYSA-N 316.426 3.818 0 40 DHAB COc1ccc(O)c(-c2ccnc3cc(-c4ccccc4)nn23)c1 95474512 FKFMRNAZZMPNON-UHFFFAOYSA-N 317.348 3.778 0 40 DHAB CO[C@@H](C)c1nc(Cn2ccc(-c3ccsc3)n2)cs1 95963271 TYSXDXNOTIJGJL-JTQLQIEISA-N 305.428 3.824 0 40 DHAB CCSCc1ccnc(NC(=O)N2C[C@H]3CCC[C@H]3C2)c1 96502467 DKVHAWWBGUOHBM-OKILXGFUSA-N 305.447 3.599 0 40 DHAB Cc1csc(C2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)n1 101401764 LLNBLLSALQBDRK-KBPBESRZSA-N 304.459 3.594 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2C1=C1CCCCC1 102680414 VGVPAIMZXLCLBI-CAMMJAKZSA-N 319.404 3.869 0 40 DHAB C[C@H](NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(OC(F)F)c1 102792696 CZNYGZVUIOTWQF-FMVNMVDZSA-N 309.356 3.901 0 40 DHAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H](c2nccs2)C1 109053383 QNNHGDRLJTXSDH-INIZCTEOSA-N 312.438 3.652 0 40 DHAB COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@](C)(O)[C@H]2O)C1 118930683 JDNSLVADAHWSEE-XVMXLUHGSA-N 318.457 3.565 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)CN1Cc2ccccc2C1 175208628 XGSYGCVZEVDNMY-UHFFFAOYSA-N 300.789 3.603 0 40 DHAB O=[S@](CC[C@@H]1CCCO1)Cc1ncc(-c2ccccc2)s1 195577208 AKWGLMLVLHPBEA-LHSJRXKWSA-N 321.467 3.628 0 40 DHAB Cc1ccc(N2N[C@](C)(CCc3ccccc3)NC2=S)cc1 225349093 QGEJVMMBHNPWSV-GOSISDBHSA-N 311.454 3.543 0 40 DHAB CCCCCNC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 225915748 OGWSYEZBUNHAFK-UHFFFAOYSA-N 312.417 3.757 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1N 226347497 JMRSGBFCCUANAI-UHFFFAOYSA-N 306.365 3.991 0 40 DHAB Cc1cc(C)c(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)c(C)c1 245225092 MMNODLYVTWRJBH-SJORKVTESA-N 317.477 3.996 0 40 DHAB CCN(C)[C@@H](c1ccccc1)c1nc(-c2ccccc2OC)no1 252488063 IILZNBPLLXKCBV-KRWDZBQOSA-N 323.396 3.786 0 40 DHAB C[C@H]1C[C@H](Nc2ccc(Cl)c(C[S@](C)=O)c2)C[C@@H](C)O1 253370496 RNAQNLBDYQERLH-OOZMQQNRSA-N 315.866 3.586 0 40 DHAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3F)nn2)cc1 408532471 YUNCRFSILHQKLV-UHFFFAOYSA-N 308.312 3.810 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CF)CC1 452594897 SAZLLVILPWMSIH-UHFFFAOYSA-N 318.417 3.940 0 40 DHAB Cc1cc(-c2cccc(CO[C@H]3CCOC3)c2)c(C(=O)O)s1 579972542 ATFRSTCHOISJEV-AWEZNQCLSA-N 318.394 3.727 0 40 DHAB Cc1ccc2c(c1)[C@H](NCc1cnc3n1CCCC3)CCCO2 585081438 HWTUEPAMSWZZRX-QGZVFWFLSA-N 311.429 3.531 0 40 DHAB O=C(NCC[C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1 1527510223 CXBNZGNEVLRLOL-ZDUSSCGKSA-N 301.336 3.815 0 40 DHAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1C(=O)c1ccccc1 1570009255 ZOUVVSVOSUINDW-HNNXBMFYSA-N 312.756 3.562 0 40 DHAB CCOc1ccc(-c2c(C)sc3ncn(CC)c(=O)c23)cc1 148884 CRJDRYBWUVGIIM-UHFFFAOYSA-N 314.410 3.852 0 40 DHAB O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccco1 359254 NHTUWSFVRRFNRD-GHXNOFRVSA-N 308.120 3.931 0 40 DHAB CCCN(CCC)S(=O)(=O)c1ccc(Cl)c(OCC)c1 384713 BWCAPXMZXULJMI-UHFFFAOYSA-N 319.854 3.549 0 40 DHAB CC(C)[C@@H](CC(=O)NCc1ccco1)[C@H]1CCOC(C)(C)C1 490650 QDRDTGUYNYCXRZ-GOEBONIOSA-N 307.434 3.763 0 40 DHAB biogenic CC(C)C(=O)OCC(C)(C)[C@@H]1OCC(C)(C)[C@@H](C(C)C)O1 1600790 BKUWIJQGNMWGAU-UKRRQHHQSA-N 300.439 3.636 0 40 DHAB CC(C)OP(=O)(OC(C)C)[C@@H](O)C(Cl)(Cl)Cl 1711230 HNUKMBJLNSBKON-SSDOTTSWSA-N 313.545 3.718 0 40 DHAB CCCCCc1nc2ccccc2c(=O)n1-c1ccc(O)cc1 2319008 NFJLOXRTJOVYFA-UHFFFAOYSA-N 308.381 3.824 0 40 DHAB Cc1cc2oc(=O)cc(CN3CCc4ccccc43)c2cc1C 2624349 ONBRMTDLXWOGSI-UHFFFAOYSA-N 305.377 3.973 0 40 DHAB CCc1cccc2c(C(=O)COC(=O)/C=C/c3ccco3)c[nH]c12 2642979 RUDOBMXVNYUKGT-CMDGGOBGSA-N 323.348 3.763 0 40 DHAB CCOC(=O)/C(=C/c1ccc(C(F)(F)F)cc1)N(CC)CC 5810985 KNECNOBGLUBBDQ-KAMYIIQDSA-N 315.335 3.951 0 40 DHAB Cc1nc(S[C@H](C)C(=O)N(C)c2ccccc2)nc(C)c1C 5944247 ZMZMNNZNVIWSDV-CQSZACIVSA-N 315.442 3.545 0 40 DHAB CN(C)c1ccc2c3c(cccc13)C(=O)N(C1CCCCC1)C2=O 6178002 OQQVIROPPDGNLP-UHFFFAOYSA-N 322.408 3.835 0 40 DHAB NNc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 6400417 JJUMREAHLVHYBK-UHFFFAOYSA-N 307.184 3.677 0 40 DHAB Cc1nn(-c2ccccc2)c(Cl)c1CNCCCOC(C)C 6787286 GKILEIDLKPLZDK-UHFFFAOYSA-N 321.852 3.739 0 40 DHAB O=C(NC1=NCCS1)c1ccc(-c2ccc(Cl)cc2)s1 7814944 FIZAQXJHDBQJFC-UHFFFAOYSA-N 322.842 3.901 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N1CCc2ccccc2C1 8519482 RAAUKSYTTZEKEX-UHFFFAOYSA-N 304.393 3.685 0 40 DHAB Cc1cccc(-c2nc(CC(=O)NCc3ccccc3)cs2)c1 8776344 AQVDTWWTUXJNMH-UHFFFAOYSA-N 322.433 3.977 0 40 DHAB CCCC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12 9334886 RSEUXWKPTYQFSA-UHFFFAOYSA-N 310.401 3.979 0 40 DHAB CCOc1ccc(C(=O)Nc2nc3ccccc3n2CC)cc1 10651473 GNFAMQZWECFFBM-UHFFFAOYSA-N 309.369 3.707 0 40 DHAB COc1ccc2sc(NC(=O)c3cccc(F)c3)nc2c1 11565784 ITEDMLUEVSAXSW-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB Cc1ccc(-c2csc(NC(=O)c3cccnc3O)n2)s1 12741712 IDCVMKLTSZUEOX-UHFFFAOYSA-N 317.395 3.533 0 40 DHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(F)cc1 12816512 KKIAOCLCUZNQAN-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB Cc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1 13673883 UEECDEKHUYJDTQ-UHFFFAOYSA-N 323.845 3.560 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccsc1 13698152 STKCJXCZTSFHLD-UHFFFAOYSA-N 316.209 3.750 0 40 DHAB CCCCCNC(=O)c1sc(NC(=O)c2ccco2)cc1C 14247130 ASPHPMZSHUEMAQ-UHFFFAOYSA-N 320.414 3.822 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCCSc2ccccc2)c1 14399830 MJNBWTJVOJCCAG-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 16470165 XGRYPXVIHFYUFB-LBPRGKRZSA-N 323.348 3.695 0 40 DHAB CSc1nnc(SCc2ccc(-n3cccn3)cc2)s1 16659164 MXUDGZXOEJVERN-UHFFFAOYSA-N 320.468 3.738 0 40 DHAB CCC(=O)Nc1nc(-c2ccccc2Br)cs1 16956471 UPWLURQEOOHSBC-UHFFFAOYSA-N 311.204 3.921 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 20048644 CIKVHDWPRMOSBV-PXAZEXFGSA-N 319.351 4.000 0 40 DHAB COc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20141390 UYUDBIGQIWFHKW-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccncc1 20459701 AKRNODWCOPFMFY-LJQANCHMSA-N 320.392 3.709 0 40 DHAB CCc1oc2ccccc2c1/C=C/C(=O)N1C[C@H](C)O[C@@H](C)C1 22836057 DFCBNEHKZZXGQG-KYXFNPKGSA-N 313.397 3.644 0 40 DHAB CCCc1cc(C(=O)NCCSc2ccc(Cl)cc2)[nH]n1 23200160 ZHMITJXONRNYQW-UHFFFAOYSA-N 323.849 3.538 0 40 DHAB Cc1cnc(NC(=O)Cc2nc(-c3cccs3)oc2C)s1 24497838 GRGXAKFXDGMXNL-UHFFFAOYSA-N 319.411 3.658 0 40 DHAB O=C(NOCc1ccccc1)c1cccnc1Oc1ccccc1 25039476 YLVVGNXBXXSQST-UHFFFAOYSA-N 320.348 3.736 0 40 DHAB Cc1ccccc1NC(=O)Nc1ccn(Cc2ccccc2)n1 28579496 FCPKMAFWCYUSOX-UHFFFAOYSA-N 306.369 3.884 0 40 DHAB CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccsc2)cc1 29368686 KQTWXHRVSRXAGN-UHFFFAOYSA-N 302.399 3.524 0 40 DHAB CC[C@H]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 31681200 VYHRXYCYDPREHW-ZDUSSCGKSA-N 315.442 3.797 0 40 DHAB CCc1c(C)sc2nc(O)n3nc(Cc4ccccc4)nc3c12 32093040 VIHOTQGMTDXLRN-UHFFFAOYSA-N 324.409 3.506 0 40 DHAB CCC[C@H](C(=O)Nc1ccc(NC(N)=O)cc1)c1ccccc1 32901837 HCZOXEIYMOUUKT-INIZCTEOSA-N 311.385 3.700 0 40 DHAB COc1ccc(NC(=O)[C@H](C)SC(F)(F)F)cc1Cl 32914051 IVQLYURUQUFYSN-LURJTMIESA-N 313.728 3.929 0 40 DHAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)[C@@H](C)c2ccccc2)cc1 35142167 XYBKFVXSGNRBEL-WMLDXEAASA-N 311.381 3.828 0 40 DHAB Cc1ccsc1CNC(=O)CCOc1ccccc1Cl 40074081 QVLHCHCYRSZPIR-UHFFFAOYSA-N 309.818 3.795 0 40 DHAB CCc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)o1 40082119 XISJTTQUCLXXCE-UHFFFAOYSA-N 311.303 3.833 0 40 DHAB COc1cccc(CNC(=O)c2cccnc2SC(C)C)c1 40120087 XMBUKEYIYWTJTF-UHFFFAOYSA-N 316.426 3.521 0 40 DHAB CCOC(=O)CCCCC(=O)c1cc(F)c(F)cc1Cl 43214396 HJUQHFPXKQCNEK-UHFFFAOYSA-N 304.720 3.924 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1cnn(C)c1 43313438 WVLSUEPLIMIJJP-UHFFFAOYSA-N 300.406 3.516 0 40 DHAB CC(C)CC[C@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 44087408 FMNNUHGMXLWGKV-LBPRGKRZSA-N 302.378 3.683 0 40 DHAB COCCOc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1 44300827 SDQZXSIJNIBENK-GFCCVEGCSA-N 320.414 3.656 0 40 DHAB CC1=NN(c2ccc(C(=O)N(Cc3ccco3)C3CC3)cc2)CC1 44966129 DBLDEHWDTVKNBS-UHFFFAOYSA-N 323.396 3.670 0 40 DHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(F)c(F)c1 48264385 PXVUXNAPXPDQJA-XHDPSFHLSA-N 312.360 3.682 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2ccccc2C)cc1 48374094 HKEXSRJQMGAAOF-DLBZAZTESA-N 310.441 3.659 0 40 DHAB Cc1c(F)cccc1NC(=O)Nc1ccc2c(c1)OCCO2 51354509 MDZADWUPWUYTRM-UHFFFAOYSA-N 302.305 3.549 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)c(C)c1 59227398 VQTIHFRPWRGKDJ-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB c1ccc(-c2ncc(CNC3CCN(C4CC4)CC3)s2)cc1 66970715 SAYKEVMJVSIBKV-UHFFFAOYSA-N 313.470 3.527 0 40 DHAB O=C(Nc1ccn(-c2ccccc2)n1)[C@@H]1C[C@@H]1c1cccc(F)c1 67033826 JJIPEJPFZHKJLB-IAGOWNOFSA-N 321.355 3.754 0 40 DHAB CCc1cc(CNCc2cc(Cl)cc(Cl)c2OC)[nH]n1 69843425 PPIZPFGTMAGRSW-UHFFFAOYSA-N 314.216 3.577 0 40 DHAB CCN(CC)C(=O)Nc1ccc(OC(F)F)c2ncccc12 72008151 ZPOOBNOOYSKKNX-UHFFFAOYSA-N 309.316 3.710 0 40 DHAB CNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c(C)n1 72219129 GBXGTIRNLURGME-CQSZACIVSA-N 305.422 3.894 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1 72331658 XQSFUKVUQJWUQI-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB Cc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)c(Cl)c1 73634365 BFZDLGQRLGTTTE-UHFFFAOYSA-N 318.711 3.833 0 40 DHAB Cc1cc(C(=O)N(CC(F)(F)F)c2cccc(Cl)c2)on1 75094324 PRNSZDLJYYVBHI-UHFFFAOYSA-N 318.682 3.846 0 40 DHAB CCC(=O)N1CC[C@H](NCc2csc3ccccc23)[C@@H](C)C1 78897270 HAHCEVPNUPPUID-BBRMVZONSA-N 316.470 3.638 0 40 DHAB CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)OC)cc1 84736540 GDUZLRGBXVZFNG-SFHVURJKSA-N 323.392 3.623 0 40 DHAB CC(=O)Nc1ccc(C)cc1NC(=O)CCO[C@@H](C)CC(C)C 87237609 WMVMMIWXIDPPLD-AWEZNQCLSA-N 320.433 3.733 0 40 DHAB C[C@@H](CC1CC1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 95962412 HNWHHWQPFVWOJM-SWLSCSKDSA-N 306.837 3.614 0 40 DHAB C[C@@H](CC1CC1)N[C@H]1CCCN(c2ccccc2Cl)C1=O 95962414 HNWHHWQPFVWOJM-WFASDCNBSA-N 306.837 3.614 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccncc1F 95975736 OTODZFRSTSRBRQ-UHFFFAOYSA-N 315.131 3.545 0 40 DHAB Cc1cc2cc(C(=O)N[C@@H](C)c3cn(C)nc3C)oc2cc1C 96430874 TUJSILLIPWROLN-LBPRGKRZSA-N 311.385 3.583 0 40 DHAB CCc1ccsc1CN[C@H](C)c1ccc([S@@](C)=O)cc1 96479225 XXFCVBOWKNWSQX-ODXCJYRJSA-N 307.484 3.899 0 40 DHAB c1cnn(-c2ccc(CN3CCC[C@@H]3c3ccncc3)cc2)c1 97109559 NMTYGWVWRDMNRL-LJQANCHMSA-N 304.397 3.604 0 40 DHAB COC[C@H]1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 97370785 UCOCJVHBLNVXPH-MOKVOYLWSA-N 321.383 3.630 0 40 DHAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)c(C)c2)C1=O 101275671 ZMACFTRFKLAXBC-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(OC)cc1 113968862 WXNNDZUVFXBEQZ-KDOFPFPSSA-N 313.397 3.730 0 40 DHAB CCN(CC)CCCOc1ccc(NC(=O)C(C)(C)C)cc1 225592453 DPQTTWLAGUMDIP-UHFFFAOYSA-N 306.450 3.782 0 40 DHAB CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c(C)n1 225890866 UODKJKOESYMJPL-UHFFFAOYSA-N 320.433 3.713 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 226324171 HGXYMMDGQVWZDC-UHFFFAOYSA-N 323.318 3.606 0 40 DHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251196436 FCFRVRISNPSYCB-GVAFMPQTSA-N 307.821 3.802 0 40 DHAB CC(C)Cc1ncc(-c2cncc(C3CCN(C)CC3)n2)s1 585260973 HPOAKKUNTOKLKU-UHFFFAOYSA-N 316.474 3.608 0 40 DHAB CN(c1ncc(Cl)cn1)C1CCN(CC2CCCCC2)CC1 1889089386 YVQCKJOHTFWYBF-UHFFFAOYSA-N 322.884 3.611 0 40 DHAB CC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12 807246 FJWMGEOEGQZUKG-ZIAGYGMSSA-N 312.413 3.633 0 40 DHAB CCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1 2797287 HRFBCRAAFBIOTO-JKSUJKDBSA-N 301.386 3.635 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1 4061485 RIVXXLSMBKFKNC-UHFFFAOYSA-N 322.408 3.815 0 40 DHAB Clc1ccccc1C1=Nn2c(nnc2-c2ccco2)SC1 5529230 QVSFMMLRAGNLTI-UHFFFAOYSA-N 316.773 3.550 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(F)cc1 6305879 VZYSJCAHFPOHBP-UHFFFAOYSA-N 310.372 3.946 0 40 DHAB O=c1[nH]c(/C=C/c2ccc(OC(F)F)cc2)nc2ccccc12 6909546 ZXWQOPWQSFGJPT-JXMROGBWSA-N 314.291 3.695 0 40 DHAB COc1ccccc1CNC(=O)CCc1ccc(Cl)cc1 10412213 ILJWOQLODKUZBE-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB Cc1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 12816609 UVTAVFCNXWGXEF-UHFFFAOYSA-N 317.392 3.922 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSC(C)(C)C)c1 13710520 FFLVLRZTXWUYLL-CQSZACIVSA-N 309.475 3.719 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1 17297516 WHLGAXCAXAGVMT-GFCCVEGCSA-N 321.779 3.605 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1=Cc2ccccc2OC1 18076795 BSKTYLRBYYHJHN-UHFFFAOYSA-N 309.409 3.547 0 40 DHAB Cc1cccc(C)c1NC(=S)N1CCn2c1nc1ccccc12 18921921 TWPIVNRVVCTCCH-UHFFFAOYSA-N 322.437 3.870 0 40 DHAB Cc1cc(C)cc(OS(=O)(=O)c2ccc(C)c(C)c2C)c1 19943381 MNFSQCNHCPKMLG-UHFFFAOYSA-N 304.411 3.996 0 40 DHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 22346120 AWJQHUSRHUQUAI-OALUTQOASA-N 317.388 3.937 0 40 DHAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)C1CCCC1 27922442 ANZWUSWWTONOQM-UHFFFAOYSA-N 315.392 3.816 0 40 DHAB C[C@@H](NC(=O)NC1CCCC1)c1ccc(Br)cc1 30981123 JPOYGAAVJXSOIG-SNVBAGLBSA-N 311.223 3.752 0 40 DHAB CCc1ccc(CN(C)CCC(=O)Nc2ccccc2F)cc1 32870749 FWUPEFVTOCKHQG-UHFFFAOYSA-N 314.404 3.849 0 40 DHAB Cc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)c(C)c1 33418317 KOXXTPMGFLEJMJ-UHFFFAOYSA-N 300.383 3.995 0 40 DHAB COc1ccc(/C=C/C(=O)OC/C=C/c2ccccc2)cc1O 34237066 CTPBHCOTQOOMTN-JPFJJCCVSA-N 310.349 3.671 0 40 DHAB biogenic Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)o1 35767000 LQVDGQLRPQHUED-VNDWYCCKSA-N 324.376 3.905 0 40 DHAB CCN(CC1(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1 36743653 DDIIZJISVIAXLO-UHFFFAOYSA-N 306.881 3.788 0 40 DHAB CC(C)N(Cc1cccnc1)C(=O)c1ccc(-n2cccc2)cc1 40150999 VFOIOHOHSFDUBX-UHFFFAOYSA-N 319.408 3.923 0 40 DHAB CCc1cc(=O)n2c3ccccc3n(Cc3cccc(C)c3)c2n1 40485128 PCSMQMRGVQDUOB-UHFFFAOYSA-N 317.392 3.568 0 40 DHAB CN(Cc1ccn(C)c(=O)c1)C(c1ccccc1)c1ccccc1 42112312 QYFFGOIYSAGBOV-UHFFFAOYSA-N 318.420 3.607 0 40 DHAB CCc1ccc2oc(-c3ccc(Cn4cnnc4)cc3)nc2c1 45920840 PCPTYRVNHYGQFN-UHFFFAOYSA-N 304.353 3.697 0 40 DHAB CCc1c(C(=O)Nc2cccc(C)c2C)cnn1-c1ccccn1 46083203 RRWNJCCCYMPUKW-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB COc1ncccc1NC(=O)N(C)[C@H](C)c1ccc(C)s1 47549192 KGJGTDUGAWBDQW-LLVKDONJSA-N 305.403 3.685 0 40 DHAB Cc1ccc(C)c(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 48326220 UMTWLNMRYLNKJM-HNNXBMFYSA-N 314.404 3.902 0 40 DHAB COc1cc([C@H]2NCc3ccccc3-n3cccc32)ccc1F 55008568 ADKORIBAHBCONO-LJQANCHMSA-N 308.356 3.818 0 40 DHAB Cc1c([C@H](C)NC(=O)NCc2ccccn2)oc2ccccc12 56780294 HAJWMMGNKBNWQD-ZDUSSCGKSA-N 309.369 3.697 0 40 DHAB CC(C)[C@@H](NCc1nccn1CC(F)(F)F)c1ccccc1 57871891 VNYQMZWSQPQGBD-OAHLLOKOSA-N 311.351 3.932 0 40 DHAB Cc1noc(C)c1NC(=O)CCc1ncc(-c2ccccc2)o1 58226284 LQZBSCZHQHFSMC-UHFFFAOYSA-N 311.341 3.518 0 40 DHAB COc1cccc(C(=O)OCc2ccc(Br)cc2)c1 60504135 BYLHADRESFOCSX-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB c1cncc([C@@H]2N[C@H]3c4c(ccc5ccccc45)OC[C@H]3CO2)c1 63110706 CVTVSDQCGJDMLX-CWFSZBLJSA-N 318.376 3.603 0 40 DHAB CC[C@H](C(=O)N[C@H](C)Cc1ccccc1C)c1c(C)noc1C 65608472 HXRYVWALFLLKCE-DYVFJYSZSA-N 314.429 3.841 0 40 DHAB Cc1oc(C)c(C(=O)NCc2ccccc2-n2ccnc2C)c1C 65621209 MKQLOSKEMIKMIY-UHFFFAOYSA-N 323.396 3.629 0 40 DHAB Cc1ccc([C@@H](NC(=O)c2c(O)cc(F)cc2F)C2CC2)cc1 66043106 SHNOWDHRCRTZMN-QGZVFWFLSA-N 317.335 3.860 0 40 DHAB COCc1nc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)cs1 71831010 SJASICILGYFKRG-OAHLLOKOSA-N 316.426 3.513 0 40 DHAB C[C@@H](OC(=O)c1sccc1Br)c1ccccn1 73527530 JCIRHZKNMOAQKQ-MRVPVSSYSA-N 312.188 3.824 0 40 DHAB Cc1nc(C)c(CNC(=O)NCc2coc3ccccc23)s1 76087042 NEJZVCHCRVJFRX-UHFFFAOYSA-N 315.398 3.506 0 40 DHAB Nc1nc(Cl)cc(N[C@@H]2CCSc3c(F)cccc32)n1 95948525 GZHFROZNJHCRPC-SECBINFHSA-N 310.785 3.500 0 40 DHAB O=C(O)CCC1CCN(C(=O)c2csc3ccccc23)CC1 95957708 BVGHHYFAUJNWJK-UHFFFAOYSA-N 317.410 3.618 0 40 DHAB O=C1N(c2ccccc2)CC12CCN(CC1CCCCC1)CC2 96202928 AMAWJPPNCJDWNW-UHFFFAOYSA-N 312.457 3.696 0 40 DHAB Cc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)on1 96448317 FNDBVRFGYZKXPO-UHFFFAOYSA-N 304.349 3.825 0 40 DHAB Fc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)cc1 96462686 LDSOIKJXDQTDIT-GFCCVEGCSA-N 302.349 3.573 0 40 DHAB Cc1csc([C@H](C)CNC(=O)N[C@H](C)Cc2cccs2)n1 97109803 FHTLSFAQYHGFME-GHMZBOCLSA-N 323.487 3.547 0 40 DHAB CC1=CC[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 101547188 IXVJAVXCXHVDAV-WDEREUQCSA-N 310.180 3.839 0 40 DHAB COc1ccc(CNC(=S)Nc2ncc(C)cc2Cl)cc1 223925328 VNNHAYCRWCYPIY-UHFFFAOYSA-N 321.833 3.539 0 40 DHAB CC(C)COc1ccc(NC(=O)C(F)(F)F)c2cccnc12 225878926 GAKHQBOUAVYHAQ-UHFFFAOYSA-N 312.291 3.770 0 40 DHAB Cc1cccc([C@]2(O)CCC[C@H]3CN(Cc4ccncc4)C[C@H]32)c1 248119720 WZKXWNXCIGMSRI-CEWLAPEOSA-N 322.452 3.510 0 40 DHAB CCN(C(=O)[C@H]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 252491460 LMXUXYXCQXIPQU-RYUDHWBXSA-N 315.335 3.873 0 40 DHAB C[C@@]1(c2ccccc2)CC[C@H](NCc2ccc(C(=O)O)cc2)C1 263387088 DGWVTPPEWSGJRB-AZUAARDMSA-N 309.409 3.985 0 40 DHAB CCc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 116089 HXIKNWBJCBXQLE-ZRDIBKRKSA-N 311.381 3.918 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1C 131848 WGBOLVMAKGNDBT-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OC(C)C)c(C)c1 136069 CSIGETWJTRGNHT-HZPDHXFCSA-N 315.413 3.776 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ncccc1Cl 253828 MMOHNJVHOYOPGC-UHFFFAOYSA-N 311.168 3.714 0 40 DHAB Cc1ccc2[nH]c3c(=O)n(CCc4ccc(F)cc4)cnc3c2c1 501650 JVCQNOAJSRLHML-UHFFFAOYSA-N 321.355 3.568 0 40 DHAB Cc1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)c1 1377492 KCVKNRQAJINQFA-ROUUACIJSA-N 313.445 3.664 0 40 DHAB COc1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)cc1 2514495 BMSCCUUZRKGVBX-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB CCOC(=O)CCCCCCC(=O)c1ccc(OC)cc1OC 2580426 OVOTVDXMITXBGO-UHFFFAOYSA-N 322.401 3.790 0 40 DHAB Cc1ccc(NC(=S)Nc2ccc(Br)cn2)cc1 2757136 HOCBLAMLWJRWBM-UHFFFAOYSA-N 322.231 3.961 0 40 DHAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2ncccc2c1 4335177 BCQBVOKKMWXNRU-KRWDZBQOSA-N 321.405 3.994 0 40 DHAB CC1=NN(C(=O)OC(C)(C)C)[C@](O)(c2ccc(Cl)cc2)C1 4503232 RAZMHLMRAJTTLA-OAHLLOKOSA-N 310.781 3.502 0 40 DHAB O=C(Cc1ccnn1-c1nc2ccccc2s1)c1ccccc1 4776510 HWAOEILYLMWKPT-UHFFFAOYSA-N 319.389 3.907 0 40 DHAB O=C(COC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)CCC2 5137741 PPHZOWMFDLIUCU-UHFFFAOYSA-N 319.360 3.696 0 40 DHAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1Cl 5795373 CZOQFEPRFRKHGB-UHFFFAOYSA-N 303.745 3.672 0 40 DHAB COc1ccc(CCNCc2ccc(SC)cc2)cc1OC 6170746 HKWXXVDPNKEKBC-UHFFFAOYSA-N 317.454 3.758 0 40 DHAB Cc1cc(C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c(C)c1 6506387 QRDBWCVAVXZWHO-UHFFFAOYSA-N 309.369 3.506 0 40 DHAB COc1cc(/C=C/C(=O)OC2CCCCC2)cc(OC)c1OC 7656532 MSMOELNJNHNEKK-MDZDMXLPSA-N 320.385 3.602 0 40 DHAB CC(=O)NCc1ccc(-c2csc(-c3ccccn3)n2)cc1 8209546 QWEZPGGGBIMRCA-UHFFFAOYSA-N 309.394 3.508 0 40 DHAB CN(Cc1cccnc1)C(=O)c1ccc2c(c1)-c1ccccc1C2 8710834 DKDZAPJMEBVXGT-UHFFFAOYSA-N 314.388 3.925 0 40 DHAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1Cl 9118881 DTCSEGHESDGQBU-NSHDSACASA-N 304.777 3.788 0 40 DHAB CCc1ccc(NC(=O)/C=C2\Sc3ccccc3NC2=O)cc1 9287476 FXHVAYBGBOCLTM-WJDWOHSUSA-N 324.405 3.816 0 40 DHAB Cc1nc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2[nH]1 10896005 FSHYKQHUNGMFRZ-UHFFFAOYSA-N 304.353 3.534 0 40 DHAB Cc1ccc(CSc2ccc(-n3nc(C)cc3C)nn2)cc1 11069551 CJWPTHNLMILWKE-UHFFFAOYSA-N 310.426 3.880 0 40 DHAB C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)c1ccc(F)cc1 11710306 HMEFLRCMCUNUSM-VXGBXAGGSA-N 304.390 3.579 0 40 DHAB O=C(NC1CC1)[C@@H](Oc1ccc(F)c(F)c1)c1ccc(F)cc1 12865382 VJSSAQRTUGNZCZ-INIZCTEOSA-N 321.298 3.503 0 40 DHAB CCc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 12984919 XJSLMFJMMFXLCR-UHFFFAOYSA-N 322.408 3.624 0 40 DHAB COc1ccc(CN(C)C(=O)/C=C/c2ccccc2C)cc1F 12988025 FUHXBVOIVGSZPP-PKNBQFBNSA-N 313.372 3.815 0 40 DHAB O=c1oc2ccccc2n1Cc1ccc(OC(F)(F)F)cc1 13004264 HQJJRMGKIDQQDW-UHFFFAOYSA-N 309.243 3.541 0 40 DHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 14796176 HTDFNXLSMGFNDW-BUYIWHAFSA-N 322.408 3.867 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(F)cc2)cc1 15028475 QKBUPHBCPQSTDO-GFCCVEGCSA-N 319.401 3.631 0 40 DHAB CCNC(=O)N1c2ccccc2-c2nc3ccccc3n2[C@H]1C 17031326 SWWGWZXRZGULDQ-GFCCVEGCSA-N 306.369 3.771 0 40 DHAB Cc1ccccc1/N=c1\scc(-c2ccccc2)n1CCO 17135833 RGLAGLUAFMMUPH-HNENSFHCSA-N 310.422 3.750 0 40 DHAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccncc1 17583370 SORXGHAEYOZZEL-UHFFFAOYSA-N 319.364 3.843 0 40 DHAB CCOC(=O)c1c(NC(=O)NC2CCCCC2)sc(C)c1C 19796874 IOYFUBFZVDUZMX-UHFFFAOYSA-N 324.446 3.996 0 40 DHAB CCn1c(=N)n(CCCOc2ccc(F)cc2)c2ccccc21 20069499 ZOUQJVDYGRCMOD-UHFFFAOYSA-N 313.376 3.550 0 40 DHAB CCOc1ccc(CCC(=O)N2CCC[C@H](C)C2)cc1OCC 20108262 YHPJDIRLBGDVRI-HNNXBMFYSA-N 319.445 3.675 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C)cc3C)CC2=O)cc1 21321305 JASQUPSUFWFYGO-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 22088005 RYAILISSVWNTPD-UHFFFAOYSA-N 317.392 3.922 0 40 DHAB CCc1ccc(-c2csc(NC(=O)C3CCOCC3)n2)s1 23323744 NEGUQEFUUGEYBP-UHFFFAOYSA-N 322.455 3.799 0 40 DHAB COc1ccccc1[C@H](C)N(C)CC(=O)NC1CCCCCC1 26332998 JVERSMJILASAND-HNNXBMFYSA-N 318.461 3.527 0 40 DHAB Cc1nnc2n1N=C(c1ccc(C3CCCCC3)cc1)CS2 27028534 IIQGIFZTZBTKET-UHFFFAOYSA-N 312.442 3.992 0 40 DHAB Cc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccc(Cl)s1 33192994 OMQKTWOGOYWOPO-ZCFIWIBFSA-N 318.229 3.588 0 40 DHAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@]1(C)CC1(Cl)Cl 36397970 LRGKZCJIFFWLJI-TVQRCGJNSA-N 320.647 3.971 0 40 DHAB CC(C)(C(=O)NCc1ccc(OC(F)F)cc1)c1ccccc1 36759007 MHYQGPJEBYOXEF-UHFFFAOYSA-N 319.351 3.882 0 40 DHAB COc1ccc(F)cc1C(=O)c1ccccc1Br 37362445 OVGAVRQPTWHSLI-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB O=C(CSc1ccc(F)cc1)NCC1(c2cccs2)CC1 38593011 DJWPSBWCUYLTRW-UHFFFAOYSA-N 321.442 3.827 0 40 DHAB Cc1ccc(-c2nc(C(=O)N(C)Cc3ccccn3)cs2)cc1 40556285 WTYJWQPHIQUQSB-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB O=C(NCc1ccco1)c1cc(-c2cccc3ccccc23)[nH]n1 44839302 XKNIAOXAEFPWOZ-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NC(C(C)C)C(C)C 44847018 SLIGNICACRVKKW-MRXNPFEDSA-N 307.434 3.649 0 40 DHAB O=C1CCC(c2cccs2)=NN1Cc1cccc2cccnc12 44978417 ZCNDAQLXBJGKHK-UHFFFAOYSA-N 321.405 3.823 0 40 DHAB Cc1cc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)c(C)o1 56905391 RUGJKNPLWJLYOW-UHFFFAOYSA-N 322.324 3.680 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C)c1cccnc1 57030743 KANXXTMBVVOREA-GOEBONIOSA-N 324.424 3.778 0 40 DHAB Cc1ccc(NC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 57280503 XQJVDOXCVBXXKS-UHFFFAOYSA-N 323.396 3.893 0 40 DHAB Cc1cc(C)c(OCC(=O)Nc2ccc(C)c(N)c2)c(Cl)c1 57340543 ZWGIMDHFOVRIBE-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB CCOC(=O)CCN(Cc1ccc(Cl)cc1Cl)C1CC1 58162731 QIOWUUQOFFFYJA-UHFFFAOYSA-N 316.228 3.911 0 40 DHAB CNC(=O)c1ccc(CN2CCC[C@@H](c3ccccc3)CC2)cc1 66874089 UOGMQVAMDKBKGY-LJQANCHMSA-N 322.452 3.816 0 40 DHAB O=C1COc2ccccc2CN1c1ccc(C(F)(F)F)cc1 67323741 ZISOJGUIVACBPN-UHFFFAOYSA-N 307.271 3.631 0 40 DHAB Cc1[nH]c2c(Br)nc(Br)cc2c1C 71256367 QHCDNODUINREGC-UHFFFAOYSA-N 303.985 3.705 0 40 DHAB Cc1cnn([C@H](C)[C@H](C)NCc2nc3ccccc3s2)c1 72269836 CKVKDJOPQLRVIX-QWHCGFSZSA-N 300.431 3.541 0 40 DHAB Cc1nc(Nc2nccs2)cc([C@H]2CCCN2C(C)C)n1 72360152 ITPMPJKTVYWWJV-CYBMUJFWSA-N 303.435 3.530 0 40 DHAB COc1ccccc1-c1cccc(C[C@]2(C(=O)O)CCCO2)c1 72372215 ZWHDXDGHDNVCFS-IBGZPJMESA-N 312.365 3.539 0 40 DHAB C[C@H]1CN(Cc2c(C3CCCC3)[nH]c3ncccc23)C[C@H](C)O1 72393347 LCESVPMCNCNJJM-KBPBESRZSA-N 313.445 3.830 0 40 DHAB C[C@H](C1CC1)N(C(=O)N[C@H]1CCCOc2ccccc21)C1CC1 73976637 BQDIKYNXBDVVGG-DYVFJYSZSA-N 314.429 3.873 0 40 DHAB C[C@@H]1CCN(C(=O)Cc2n[nH]c3ccccc23)[C@H](c2ccco2)C1 75386845 SAUUZCWZTHFDQB-DYVFJYSZSA-N 323.396 3.698 0 40 DHAB CC(C)c1nc([C@H]2CCCN2C(=O)CC2=CCCCC2)no1 76044342 CVQVLMDQZUIYQC-CQSZACIVSA-N 303.406 3.747 0 40 DHAB Cc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1F 78698716 IQDXGZBFUOTCMM-MRXNPFEDSA-N 317.360 3.549 0 40 DHAB COC(=O)C[C@H](C)S[C@H](C)c1nc(-c2cccs2)no1 79358959 HEAKVWDNEVQMPN-DTWKUNHWSA-N 312.416 3.544 0 40 DHAB Cc1ccc([C@@H](NC(=O)NNc2cccc(C#N)c2)C2CC2)cc1 84148670 SFUVVGXTSOXWIS-GOSISDBHSA-N 320.396 3.644 0 40 DHAB CCOCc1nnc(NCc2cccc(Cl)c2Cl)o1 95990080 MVPBYSVVKYTSGP-UHFFFAOYSA-N 302.161 3.525 0 40 DHAB O=C(Nc1ccc(CCO)cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 96403189 RCYZBRQNLWOWSR-STQMWFEESA-N 315.335 3.529 0 40 DHAB CSc1ccc(NC(=O)NCc2cnc(C)s2)cc1F 96435423 PDYNJEOBLSHIER-UHFFFAOYSA-N 311.407 3.634 0 40 DHAB CC[C@H](CNC(=O)c1c(C)noc1C)Oc1ccccc1Cl 96451814 OMOFHFJEACSBOT-GFCCVEGCSA-N 322.792 3.532 0 40 DHAB CCOc1ccc(O)c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1 96662881 ALFYKKNZAPEAFS-ZSOIEALJSA-N 315.756 3.937 0 40 DHAB C[S@@](=O)Cc1cc(NCc2ccc(F)cc2)ccc1Cl 97084924 GSXZXXCKIRSFME-FQEVSTJZSA-N 311.809 3.970 0 40 DHAB COc1ccc(C(C)=O)cc1CC(=O)O[C@@H]1CCC[C@H](C)C1 98071022 BDTVYZAXILILRO-BLLLJJGKSA-N 304.386 3.562 0 40 DHAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1C[C@H]2CC[C@H]1C2 103321798 NXVMIMRRQRFWFC-MELADBBJSA-N 313.426 3.504 0 40 DHAB Cc1noc(C(F)(F)F)c1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 106921987 LVXGETDQQKLZTD-QXFUBDJGSA-N 304.312 3.556 0 40 DHAB Cc1nc2ccc(OC(=O)OCc3ccccc3)cc2nc1C 108013552 YKBUOGLYNFOVAM-UHFFFAOYSA-N 308.337 3.962 0 40 DHAB Cc1ccc([C@](C)(O)CN[C@H]2CCC[C@H](C(F)(F)F)C2)o1 130063471 UPACQNHDQQWHFH-SGMGOOAPSA-N 305.340 3.506 0 40 DHAB Clc1ccc(Cc2nnc(-c3cnc(C4CC4)nc3)o2)cc1 216616619 ZTQNGWYZFVZCLA-UHFFFAOYSA-N 312.760 3.648 0 40 DHAB Cc1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222556918 SAEGZKMOOHJDEP-IAOVAPTHSA-N 309.438 3.979 0 40 DHAB O=C(Nc1ccccc1F)c1cnc(-c2cccc(F)c2)nc1 222621038 CNUXHJILSMUQIS-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB O=C(CCc1ccccc1F)NCCCc1ccc(F)cc1 224275802 FPSHYMIBOGLYJB-UHFFFAOYSA-N 303.352 3.646 0 40 DHAB CCc1cc(N)ccc1NC(=O)c1cccc(Br)c1 226318038 GBFGGARMYFAYDC-UHFFFAOYSA-N 319.202 3.846 0 40 DHAB CN(C(=S)Nc1ccc2snnc2c1)c1ccccc1 408994852 HDKQDWHQZJGUEO-UHFFFAOYSA-N 300.412 3.525 0 40 DHAB CC[C@H](C(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 575358882 WMPKJTWARARDJX-IBGZPJMESA-N 309.409 3.900 0 40 DHAB O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(Cl)cc1Cl 88521 PARYYGDXNINZLY-UHFFFAOYSA-N 322.147 3.916 0 40 DHAB O=c1c2cc(Cl)ccc2[nH]c(=S)n1CCc1ccccc1 425316 TVTBXFIBTDMWCS-UHFFFAOYSA-N 316.813 3.955 0 40 DHAB CCC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12 1912345 NQJFFFFPDXJGDU-UHFFFAOYSA-N 321.380 3.662 0 40 DHAB C[C@]1(O)CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104652 XLHAVSYGJGEONL-AFJLWXLSSA-N 318.457 3.528 0 40 DHAB biogenic,in-vitro Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O 5210393 BVIUYBMSDVDPLA-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB CCCc1nnc2c3ccccc3c(-c3ccc(OC)cc3)nn12 5271525 YJNWZJOJDVCSRR-UHFFFAOYSA-N 318.380 3.906 0 40 DHAB Cc1ccccc1C1=Nn2c(nnc2-c2ccccc2)SC1 5529181 QKFGUBCGIGSHFY-UHFFFAOYSA-N 306.394 3.612 0 40 DHAB Cc1ccc(C[S@](=O)c2nc(Cl)c3c(n2)CCCC3)cc1 5738558 OHOMOVURKZFFQL-OAQYLSRUSA-N 320.845 3.625 0 40 DHAB CC(C)c1ccc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 6805700 AVUWDIHWXWWRSL-KRWDZBQOSA-N 324.380 3.538 0 40 DHAB aggregator COc1ccc(OC)c(COC(=O)c2ccc3ccccc3n2)c1 7196869 SZWOGKNZKDVTRH-UHFFFAOYSA-N 323.348 3.609 0 40 DHAB CCc1nnc(-c2cc3ccccc3n2Cc2ccccn2)o1 7452059 XYZCPCAKYTYSCW-UHFFFAOYSA-N 304.353 3.697 0 40 DHAB Cc1cc2nc(N3CCc4ccccc4C3)c3ccccc3n2n1 7779324 FQRFZFLDUOWXFY-UHFFFAOYSA-N 314.392 3.754 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCSc2ccccc2)cc1 8041225 KVGPMLJPDCRNIK-HNNXBMFYSA-N 315.438 3.671 0 40 DHAB COc1ccc(-c2cc(C(=O)O)c3c(C(C)C)noc3n2)cc1 8429010 BCHTYAXQWBDESH-UHFFFAOYSA-N 312.325 3.720 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 9479769 BHNPVVLXQNTELA-UHFFFAOYSA-N 322.408 3.873 0 40 DHAB CCOc1ccccc1/C=C/C(=O)N1CCc2sccc2C1 10923322 XUJMPKNCBSZCIA-BQYQJAHWSA-N 313.422 3.745 0 40 DHAB Cc1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1C 12525404 ASGYYOAKSIGYQE-MRXNPFEDSA-N 319.408 3.980 0 40 DHAB c1ccc(-n2c(SCc3ccccn3)nnc2C2CC2)cc1 12723754 ZIWYHFDLWPVCDX-UHFFFAOYSA-N 308.410 3.832 0 40 DHAB CC(C)OCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 13166182 QHRJMPXDNWRURX-UHFFFAOYSA-N 313.353 3.562 0 40 DHAB Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1C 13167680 JPTBMVBUJGOVSO-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 13709622 QQBLMMCOWWXYPW-LLVKDONJSA-N 305.761 3.755 0 40 DHAB CC[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 15539565 XMAKRJNLWITEOG-CQSZACIVSA-N 321.376 3.717 0 40 DHAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(N)ccc1F 19736545 HIJWBFLPRKPCFZ-GFCCVEGCSA-N 316.376 3.939 0 40 DHAB Cc1ccccc1-c1nn2c(Cc3ccccc3F)nnc2s1 19909973 XZTRKTIXXZSACM-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 22417970 BCEKLQDXSPPONT-UHFFFAOYSA-N 323.314 3.866 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1 23268980 VIZMAIACFINCLF-INIZCTEOSA-N 319.408 3.623 0 40 DHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cn1 26088954 BGOZQAQOSHNSRG-UHFFFAOYSA-N 314.694 3.935 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 26565145 QHIXVLRPSBKFAZ-QGZVFWFLSA-N 323.392 3.655 0 40 DHAB Cc1noc(C)c1CCC(=O)N(C)[C@H]1CCCc2ccccc21 32481298 VGETYZZCGOWIBP-SFHVURJKSA-N 312.413 3.760 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cc3ccccc3cc2O)c1 32719827 PRLZGGUTGGSEER-UHFFFAOYSA-N 320.348 3.756 0 40 DHAB CC(C)COc1ccccc1[C@H]1CC(O)=Nc2nc(N)sc21 36360610 RJSXUSRUDYWTAQ-LLVKDONJSA-N 317.414 3.884 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 36719056 BAVDNODZVWMWFS-GFCCVEGCSA-N 323.314 3.789 0 40 DHAB COCc1ccccc1NC(=O)c1nc(Cl)ccc1Cl 37991815 HBVRWAWYBQNXQK-UHFFFAOYSA-N 311.168 3.787 0 40 DHAB COc1ccc(-c2nc3ccc(N)cc3o2)cc1Br 38074151 WRTKFLDZXQIKKX-UHFFFAOYSA-N 319.158 3.848 0 40 DHAB Cc1cc(C)c2cc(C(=O)N(Cc3ccccn3)C3CC3)[nH]c2c1 40019879 VJKAASJYFTWAQX-UHFFFAOYSA-N 319.408 3.985 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(F)c2)on1 44966540 PCCHXSVXUIQRBU-WFASDCNBSA-N 317.364 3.730 0 40 DHAB O=C(Nc1nncs1)N1CCC[C@H]1c1ccccc1Cl 44973388 CHASQDNSGUKHRG-NSHDSACASA-N 308.794 3.561 0 40 DHAB Cc1cc2nnc(S[C@@H]3CCCc4ccccc43)n2c(C)n1 46876353 RYKLJPSNWLOZSZ-OAHLLOKOSA-N 310.426 3.911 0 40 DHAB O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(Cl)c(F)c1 49123920 AJFSKLVXDHUZNN-UHFFFAOYSA-N 308.696 3.821 0 40 DHAB CN(C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 49341427 SRBBWXJYRIYDEF-UHFFFAOYSA-N 301.198 3.819 0 40 DHAB Cc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)nn1C(C)(C)C 56035311 MXZVCYCWFFGOEJ-MRXNPFEDSA-N 303.450 3.741 0 40 DHAB CCSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 57864228 OLKBQKULQKJNFW-UHFFFAOYSA-N 308.838 3.633 0 40 DHAB O=C(CC[C@H]1CCCO1)Nc1cccc(-c2nccs2)c1 58291637 KDQKSHSTRULKAA-CQSZACIVSA-N 302.399 3.708 0 40 DHAB CCOC(=O)C1=C(c2ccccc2)CN(Cc2ccccc2)CC1 59778258 QUFDFWNQQSYPKB-UHFFFAOYSA-N 321.420 3.909 0 40 DHAB O=C(CCCc1ccccc1)Nc1nnc(C2CCC2)s1 61721049 MPDCZHTYUOFBQB-UHFFFAOYSA-N 301.415 3.767 0 40 DHAB CCn1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cn1 66613110 FVNUZHFPZGVULH-UHFFFAOYSA-N 323.318 3.592 0 40 DHAB CN1CCC2(CC1)N=C(S)C(c1ccc(C(C)(C)C)cc1)=N2 67172589 URSXYWGTYABNDV-UHFFFAOYSA-N 315.486 3.537 0 40 DHAB Cc1cc(CNC(=O)Nc2ccccc2OC2CCCC2)no1 67582217 CDPFWTOZFIYDJG-UHFFFAOYSA-N 315.373 3.626 0 40 DHAB CCn1c([C@@H](C)NC(=O)Cc2cccs2)nc2ccccc21 68174464 KRLHDGHSGNKXBC-GFCCVEGCSA-N 313.426 3.538 0 40 DHAB C[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)Nc1ncccn1 69698378 MGWUAZSJQBZICI-IUODEOHRSA-N 313.426 3.614 0 40 DHAB COc1cccc2c1O[C@@H](C)C(=O)N(c1ccccc1Cl)C2 75165543 RUSZGAFMVUKORM-NSHDSACASA-N 317.772 3.663 0 40 DHAB Cc1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cn1 76067161 QVEIGTBWGITOGH-HNNXBMFYSA-N 312.438 3.644 0 40 DHAB FC(F)(F)c1ccc(CNc2ccc(-n3cncn3)cc2)cc1 79721116 RUXCEOOLDQGHCS-UHFFFAOYSA-N 318.302 3.898 0 40 DHAB Nc1cccc(-c2nc(-c3ccccc3OC(F)F)no2)c1 89262393 LZHRABNKMGHPSI-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB Cc1nc(Br)ccc1NC(=O)c1ccc(F)cc1 91099744 OKFQFKKJBCEFHL-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB Cc1ccc(-c2nnc(Sc3ccc4nccnc4n3)o2)cc1 95395424 AVLGXNOWKREYIL-UHFFFAOYSA-N 321.365 3.534 0 40 DHAB C[C@@H](Sc1nnc(CCc2ccccc2)o1)C(F)(F)F 95971404 XQVUYXDJUKXHKX-SECBINFHSA-N 302.321 3.898 0 40 DHAB CCOc1ccc(Nc2nc(C)nc3c(C)nn(CC)c23)cc1 96193142 DSCBOUVIXJCANA-UHFFFAOYSA-N 311.389 3.605 0 40 DHAB CCSc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1 97232432 WTVVOHNFIATNFJ-UHFFFAOYSA-N 307.459 3.828 0 40 DHAB Cc1ccc([C@@H](C)NCc2nnc(Cc3ccccc3C)o2)o1 97373995 ARWFQJQXDYQKLV-CQSZACIVSA-N 311.385 3.721 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cccc2cccnc12 100189251 WPKKFFLMEUMDPA-VQIMIIECSA-N 316.408 3.595 0 40 DHAB Cc1ccc(-n2c(S)nc3cc(Cl)ccc3c2=O)cc1 100433208 RKKLIEBUYSWXJI-UHFFFAOYSA-N 302.786 3.636 0 40 DHAB CC1(C)C[C@@]2(C)C[C@H]1C[C@H]2OC(=O)c1ccccc1C(=O)O 100770255 ZSKLSZZSGZABIR-YRILPIOLSA-N 302.370 3.756 0 40 DHAB biogenic CCC(=O)N[C@H]1CCCN([C@H](C)CCSc2ccccc2)C1 107363549 DLGNDWTWKHHPGJ-CVEARBPZSA-N 320.502 3.548 0 40 DHAB O=C(CCc1cccs1)N1CCC[C@@H](c2nccs2)C1 171647392 NFGVBHMIZIWYND-GFCCVEGCSA-N 306.456 3.543 0 40 DHAB C[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccsc1 178404123 CSCSLHMXLNLJSP-MPGHIAIKSA-N 315.486 3.704 0 40 DHAB CC[Si](CC)(CC)c1c(F)cc(Br)nc1F 196297028 ZVPUQTZIIHQTRL-UHFFFAOYSA-N 308.242 3.838 0 40 DHAB CCc1ccc(CC(=O)N[C@H](C)COc2ccccc2C)cc1 223558234 NAGAHRHZEIZDRK-MRXNPFEDSA-N 311.425 3.684 0 40 DHAB COCCCNCc1cc(C)n(Cc2ccccc2Cl)c1C 223664330 IWXDIZBFSGUWRZ-UHFFFAOYSA-N 320.864 3.933 0 40 DHAB Cc1cccc(CSCCNC(=O)c2cccc(F)c2)c1 224955090 NUYPOCZILPKPQV-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB COC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(N)c1 225438014 GEULHXSVEQKDHW-UHFFFAOYSA-N 324.424 3.515 0 40 DHAB CCCOc1cccc(NC(=O)c2cn(-c3ccccc3)cn2)c1 226754125 NTFSQQKDPWHJAL-UHFFFAOYSA-N 321.380 3.913 0 40 DHAB CCCc1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 245227953 ZSUACPZCTXTOEL-JFIYKMOQSA-N 305.462 3.642 0 40 DHAB C[C@H]1C[C@@H](C)[C@H](C)C[C@@H]1NC(=O)c1nc(Cl)c(Cl)[nH]1 255188727 LEILTLAATFEQFY-HXFLIBJXSA-N 304.221 3.517 0 40 DHAB C[C@@H]1C[C@@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)CC(C)(C)C1 255189405 PQDWJCQALFHMLQ-HTQZYQBOSA-N 304.221 3.661 0 40 DHAB Cc1cc(C=O)cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1 256054317 VVYHCJPAMJHRBC-UHFFFAOYSA-N 324.785 3.537 0 40 DHAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1cccnc1 257173619 SKKUJLIXROWCPC-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB O=C(O)c1ccccc1-c1ccc(CNc2nccs2)o1 257203236 APDZIYSNWRESHE-UHFFFAOYSA-N 300.339 3.713 0 40 DHAB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1F 90982 LPYAFGXZLVGYQQ-UHFFFAOYSA-N 321.373 3.879 0 40 DHAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccccc1 176465 QTHGDQKHIBWNCF-MKMNVTDBSA-N 319.694 3.963 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1OC 364995 ZSMUXDNFMTXINY-MRXNPFEDSA-N 311.381 3.511 0 40 DHAB c1ccc([C@H]2O[n+]3ccccc3S[C@@H]2c2ccccc2)cc1 1264347 RRRKGNGJOTYDIV-RTBURBONSA-N 306.410 3.991 0 40 DHAB CCCCOC(=O)c1ccc(NC(=O)c2c(C)noc2C)cc1 3427369 NHYWOISAFHXCJU-UHFFFAOYSA-N 316.357 3.501 0 40 DHAB CCOC(=O)[C@H]1CC2(CC[C@@H]1N)c1ccccc1-c1ccccc12 4742914 ZXMLXVVRBMOTQI-LPHOPBHVSA-N 321.420 3.644 0 40 DHAB COc1ccc(/C=C/c2cccc[n+]2C)cc1CN1CCCCC1 5002316 INNFPLULVBJYEQ-PKNBQFBNSA-N 323.460 3.676 0 40 DHAB CC(C)C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5380680 WYQUJLDVMSYASM-NSHDSACASA-N 319.188 3.614 0 40 DHAB C[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)N1CCCC1 5662422 GWNUICPJXVTDAU-NSHDSACASA-N 300.324 3.518 0 40 DHAB C[C@](CN1CCCC1)(Oc1ccccc1)C(=O)c1ccccc1 6491041 UAQAYRICCZLYQR-HXUWFJFHSA-N 309.409 3.803 0 40 DHAB Cc1ccccc1CSc1nccn(-c2ccccc2)c1=O 6915146 KZEKUVSNSSGWJI-UHFFFAOYSA-N 308.406 3.833 0 40 DHAB CCCN(CCC)C[C@H](O)COc1c(Cl)cccc1Cl 6937642 RNLVJDZLYHIRIH-LBPRGKRZSA-N 320.260 3.855 0 40 DHAB Cc1ccccc1-c1nnc(NC(=O)Cc2cccs2)s1 7345085 FZNYIJCKUDXRMO-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1F 7886628 CMAYBOSBYVYOOM-INIZCTEOSA-N 302.324 3.941 0 40 DHAB O=C(OCc1ccc(-n2cccn2)cc1)c1c[nH]c2ccccc12 8251922 RVSCDCMQONKKBI-UHFFFAOYSA-N 317.348 3.711 0 40 DHAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1F 8267146 UFXUJLFVHSBNKX-CHWSQXEVSA-N 324.827 3.930 0 40 DHAB Cc1noc(C)c1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 8347193 PFTAXNUGIOOQQY-JTQLQIEISA-N 315.398 3.734 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)cc1 8480018 VNIMHIZBVVLFIV-OAHLLOKOSA-N 303.333 3.630 0 40 DHAB Cc1cc(C)c2nc(NC(=S)NC(=O)CC(C)C)sc2c1 9140755 QDSJENBSPQKOCD-UHFFFAOYSA-N 321.471 3.772 0 40 DHAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)CCC 9159954 HBBMXJKVIXJOCE-UHFFFAOYSA-N 314.429 3.765 0 40 DHAB Cc1ccc2nc(NC(=O)c3ccc4[nH]cnc4c3)sc2c1 9317602 ZOZXAUWGRAJOFJ-UHFFFAOYSA-N 308.366 3.733 0 40 DHAB Cc1cccc(CCCNC(=O)CCCOc2ccccc2)c1 10110826 JYPBVIOLEJRXCT-UHFFFAOYSA-N 311.425 3.903 0 40 DHAB COc1ccc(-c2n[nH]cc2CNCc2ccccc2C)cc1 12530340 PCXRUBGGHOIQEN-UHFFFAOYSA-N 307.397 3.684 0 40 DHAB COC(=O)c1ccc(-c2ccc(Br)cc2)nc1C 16249916 LRAPCACWJYSICH-UHFFFAOYSA-N 306.159 3.606 0 40 DHAB O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C1CCCC1 16969472 BFZWGCSJXGGRKO-UHFFFAOYSA-N 321.848 3.695 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)NCCSC(C)(C)C 20452955 RWMICPQIHNEXGW-ZDUSSCGKSA-N 309.475 3.664 0 40 DHAB Cc1ccc(C)c(C(=O)[C@H](C)n2nnc(-c3ccccc3C)n2)c1 21128314 KSSVFJAFICEKPK-HNNXBMFYSA-N 320.396 3.709 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C)c1 22511807 CMORDCWBRKKHGV-QGZVFWFLSA-N 301.361 3.608 0 40 DHAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(F)c(F)c1F 23130760 PLDKMSRHPWTOIP-UHFFFAOYSA-N 305.299 3.774 0 40 DHAB O=C(c1ccc(Cl)nc1)N1CCCSc2ccccc21 23228296 OBJVNMSBCRTLSH-UHFFFAOYSA-N 304.802 3.878 0 40 DHAB CCc1noc(C)c1C(=O)OCc1coc(-c2cccs2)n1 24090916 VEZRDKSRDIUUBJ-UHFFFAOYSA-N 318.354 3.619 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(-n3cccn3)cc2)c1 24570858 FMCRCPHPPVHEBA-UHFFFAOYSA-N 321.380 3.507 0 40 DHAB CCOc1ccccc1Cn1cnc2c(oc3ccccc32)c1=O 25007782 KJDSODZEPBOWSL-UHFFFAOYSA-N 320.348 3.590 0 40 DHAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(Cl)cc1 25661394 MWJUJJJHDANQRZ-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB NC(=S)Nc1ccc(Br)cc1-c1ccccc1 26508207 FQBRHJZHCPOSMY-UHFFFAOYSA-N 307.216 3.772 0 40 DHAB CCOc1ccc(NC(=O)OCC(F)(F)F)cc1OCC 32628787 PCUBJOHLSVDTBN-UHFFFAOYSA-N 307.268 3.595 0 40 DHAB Cc1cc(C)cc(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)c1 36847517 SCSLOYNFQURBCX-JKSUJKDBSA-N 319.518 3.853 0 40 DHAB CC[C@H]1CCCC[C@@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 48278677 LALXFUJYHGDEKH-KSSFIOAISA-N 319.470 3.862 0 40 DHAB Cc1ccsc1C(=O)NCCOc1ccc(C(C)C)cc1 58104044 PPVWCADSAFLHOP-UHFFFAOYSA-N 303.427 3.989 0 40 DHAB O=C(CCCc1ccccc1)Nc1ccc(-c2nnco2)cc1 58267492 WPVWVBNHJJGOQE-UHFFFAOYSA-N 307.353 3.698 0 40 DHAB Cc1cc(CNC(=O)Nc2ccc(OC(C)C)c(Cl)c2)on1 61750089 LKMBHEYEVSALPD-UHFFFAOYSA-N 323.780 3.745 0 40 DHAB CCc1cc(Br)c2oc(C3CCNCC3)nc2c1 62563537 NQTMMLIOUVAMRA-UHFFFAOYSA-N 309.207 3.620 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(C)n1C 65440574 NGKPIUGPNIHJOI-OAHLLOKOSA-N 317.458 3.614 0 40 DHAB CC(C)N1CCC2(CC1)N=C(S)C(c1ccc(Cl)cc1)=N2 67172592 SVNZDLOMSIQRDE-UHFFFAOYSA-N 321.877 3.672 0 40 DHAB Cc1c([C@@H](C)NCc2ccncc2)cnn1-c1ccc(F)cc1 67504641 KSGHIKKHDKOFBP-CYBMUJFWSA-N 310.376 3.566 0 40 DHAB Cc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)cc1C 71830033 BXLOOBZDIWMOIC-SFHVURJKSA-N 312.413 3.814 0 40 DHAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc2ccccc2c1 71843151 HZMOIRFFGTTYLX-MSOLQXFVSA-N 305.381 3.560 0 40 DHAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 71854031 BJKGWPLPNMKEMV-VIFPVBQESA-N 322.359 3.857 0 40 DHAB Cc1nc(C(=O)Nc2nc(C)c(C)s2)c(CC(C)C)s1 72403645 YMMBPKMREXPOHK-UHFFFAOYSA-N 309.460 3.976 0 40 DHAB O=C(/C=C/C1=CCCC1)N1CCN(c2cccc(Cl)c2)CC1 76092396 DXSQQJKTJMWLRR-CMDGGOBGSA-N 316.832 3.655 0 40 DHAB CCC(=O)N1CC[C@@H](NCc2csc3ccccc23)[C@H](C)C1 78897263 HAHCEVPNUPPUID-CZUORRHYSA-N 316.470 3.638 0 40 DHAB CC[C@H](C(=O)NCC[C@@H](O)c1cc(C)oc1C)c1ccccc1 85561363 CSOGAEFFLOXZJO-FUHWJXTLSA-N 315.413 3.630 0 40 DHAB CC(C)(C)OC(=O)N1CC=C(c2ccc(N)c(Cl)c2)CC1 95218140 YPDMGVJXZOQBHH-UHFFFAOYSA-N 308.809 3.946 0 40 DHAB CCN(CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C1CCCC1 97491331 STPFUIXKHMGDDT-CYBMUJFWSA-N 324.415 3.749 0 40 DHAB COc1ccc(O[C@@H](Cc2ccc(Cl)cc2C)C(=O)O)cc1 225074930 NSXHAPJCLUVWAQ-INIZCTEOSA-N 320.772 3.732 0 40 DHAB COc1ccc(CCC(=O)NC[C@@H](C)c2ccccc2)cc1C 225135295 YMSBLYAWRXZLJZ-MRXNPFEDSA-N 311.425 3.856 0 40 DHAB Fc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225851510 DDSSHWQSALGWQT-UHFFFAOYSA-N 315.417 3.977 0 40 DHAB CCOC(=O)CCCC(=O)c1c(OC)ccc2ccccc12 575358674 YYCRDDJEBBHXPL-UHFFFAOYSA-N 300.354 3.765 0 40 DHAB Cc1cc(C)cc(Nc2ncnc(C3CCOCC3)c2F)c1 1888856512 IDSWGXUIJDYKMV-UHFFFAOYSA-N 301.365 3.870 0 40 DHAB CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1 513618 XIYLPVDMTHLQNF-FMIVXFBMSA-N 308.381 3.561 0 40 DHAB COc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1 529682 BJDVBUJGAZUGOM-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB CCc1ccc2c(c1)CCCN2C(=O)c1ccccc1C(=O)O 532126 BMYJBBYLZXNRQB-UHFFFAOYSA-N 309.365 3.540 0 40 DHAB O=C(COc1ccccc1)NCC1(c2ccccc2)CCCC1 545979 MTOBHXNUSJKJIM-UHFFFAOYSA-N 309.409 3.694 0 40 DHAB Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(F)c3)sc2n1 1472110 HTEMEYAALGCOIK-UHFFFAOYSA-N 315.373 3.887 0 40 DHAB CCn1nc(NC(=O)C(C)(C)C)c2cc3cccc(C)c3nc21 1870043 KPZXSOSNVAFZSO-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB CCCNC(=O)c1c(Cl)nc(Cl)c(Cl)c1Cl 2192584 AUAMIGZQVJOEFY-UHFFFAOYSA-N 301.988 3.835 0 40 DHAB CC(C)(C)OC(=O)N1CCC(Cc2cccc(C(=O)O)c2)CC1 2391768 HVECPVHFDIWDEL-UHFFFAOYSA-N 319.401 3.574 0 40 DHAB CC(C)CC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 3051555 CLWXTYKKFMPOOM-GFCCVEGCSA-N 323.651 3.957 0 40 DHAB CC(C)N(CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccccc1 3220235 YAZITAZHXQNZJY-QGZVFWFLSA-N 322.452 3.875 0 40 DHAB O=S(=O)(NC1CCCCCC1)c1ccccc1C(F)(F)F 3300003 ROAOBXDJTBWQHV-UHFFFAOYSA-N 321.364 3.707 0 40 DHAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccn2C)N3)C1 4571585 QXCAKQZLDRSSMA-OTYXRUKQSA-N 301.415 3.640 0 40 DHAB CCC(=O)OCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 4868764 LSNNDWQZILWMNE-UHFFFAOYSA-N 324.380 3.706 0 40 DHAB COc1cccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 5637294 RAJJDQOOVZMVHT-UHFFFAOYSA-N 316.470 3.950 0 40 DHAB COc1ccccc1OCC(=O)OCc1cccc2ccccc12 6027672 SDDLYBVVVHDALS-UHFFFAOYSA-N 322.360 3.971 0 40 DHAB c1ccc2sc(CSc3nnc4n3CCCCC4)nc2c1 6097085 IPZOXIYNOVYEEL-UHFFFAOYSA-N 316.455 3.907 0 40 DHAB COc1ccccc1C(=O)CSc1nc2cc(C)ccc2[nH]1 6292081 WQOWJQDCZBEWOV-UHFFFAOYSA-N 312.394 3.855 0 40 DHAB CCOc1ccccc1NC(=O)Cn1c(CC)nc2ccccc21 6367715 NQKUMNPOMNNGNI-UHFFFAOYSA-N 323.396 3.636 0 40 DHAB COc1cccc(CNC(=O)CCCSc2ccccc2)c1 6559366 SIQDRQOTQQJVRC-UHFFFAOYSA-N 315.438 3.884 0 40 DHAB COc1ccc(N(C)C(=O)Nc2nc3ccccc3s2)cc1 6734337 WZWAUSPTKNLUEP-UHFFFAOYSA-N 313.382 3.973 0 40 DHAB CCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2)cc1 8339246 NQDSMLNFFIPKCM-UHFFFAOYSA-N 310.426 3.914 0 40 DHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)C1CC1 9884452 OXRCNLDPHXPWEY-MRVPVSSYSA-N 322.767 3.971 0 40 DHAB Cn1ccnc1Sc1ccc(NC(=O)C2CCCC2)cc1 10423870 PLSFRGLUKJXBER-UHFFFAOYSA-N 301.415 3.700 0 40 DHAB O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)C1CC1 11204146 RCWXUAIJHZPNJL-SFHVURJKSA-N 315.800 3.986 0 40 DHAB Cn1cnnc1-c1cccc(NC(=O)CCC2CCCCC2)c1 12428216 LWUQOPMCNDWCDW-UHFFFAOYSA-N 312.417 3.781 0 40 DHAB CC(C)c1n[nH]c(SCCCC(=O)c2ccc(F)cc2)n1 12783388 UZDCGGYNNDPABV-UHFFFAOYSA-N 307.394 3.822 0 40 DHAB CN(Cc1ccco1)C(=O)c1csc(-c2ccsc2)n1 12987247 SLYOWQKORTWWAN-UHFFFAOYSA-N 304.396 3.737 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1F 19476979 KKSOLFCPPPZFIY-TVQRCGJNSA-N 314.198 3.897 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)c1 19736476 MRJYSYSOPKAATK-LLVKDONJSA-N 304.777 3.637 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1F 19736609 NJSYQCQFTIKVCT-INIZCTEOSA-N 302.349 3.512 0 40 DHAB COc1cccc2cc(C(=O)NCCSC(C)(C)C)oc12 19887858 WQVNMKVRTWULLO-UHFFFAOYSA-N 307.415 3.703 0 40 DHAB CC(C)c1nnc(SCc2nnc(-c3ccc(F)cc3)o2)o1 20034581 XNZZOUOZFUVJKW-UHFFFAOYSA-N 320.349 3.674 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 22513005 UIKZTZVROYNJOA-CYBMUJFWSA-N 302.418 3.590 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 23530205 HIFOIXBBFZNDJE-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB COc1ccc(CN(C(=O)c2ccsc2)C2CC2)c(OC)c1 25292169 BTAOWQYGWGUQOA-UHFFFAOYSA-N 317.410 3.570 0 40 DHAB C[C@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1 32913874 UCIMWEZGZDNPGY-CQSZACIVSA-N 323.371 3.545 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)Nc1nc2ccccc2[nH]1 32924012 ADVSELGCELTREZ-UHFFFAOYSA-N 300.387 3.704 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Oc1ccccc1 40128233 KNFAESNLUBGYGM-UHFFFAOYSA-N 324.355 3.776 0 40 DHAB CN(Cc1c(F)cccc1Cl)C[C@H](O)c1cccc(F)c1 51119475 LKFQBRNOWACZHR-INIZCTEOSA-N 311.759 3.784 0 40 DHAB Cn1c([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)nc2ccccc21 54666831 UOHKMYXZEVVFRK-MAUKXSAKSA-N 323.440 3.983 0 40 DHAB CCOc1ccc(N[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 57897312 FTRUKHHQRQPJNB-ZNMIVQPWSA-N 304.434 3.675 0 40 DHAB CCCC(=O)Nc1ccc(OCCOC(C)(C)C)c(C(C)=O)c1 57995055 REQNMFLAWSIPGW-UHFFFAOYSA-N 321.417 3.822 0 40 DHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(OC)nc1 58135542 QQRCUEFGHMNYGO-QZTJIDSGSA-N 324.424 3.889 0 40 DHAB C[C@@H](c1ccccc1F)N(Cc1nnc(C2CC2)o1)C1CC1 69563847 GNJXMKQAYZBPKS-NSHDSACASA-N 301.365 3.812 0 40 DHAB Cc1ccc(-c2nc(CN[C@H](C)[C@@H](C)n3cccn3)cs2)o1 69921818 OGXNPVGQKCTXQJ-CHWSQXEVSA-N 316.430 3.647 0 40 DHAB CC(C)(C)c1ccc(N[C@@H](C(N)=O)c2ccc(F)cc2)cc1 71822820 ZYVUQIREWWKMMQ-MRXNPFEDSA-N 300.377 3.762 0 40 DHAB Cc1ccc(NC(=O)NCCCN2CCC(C)CC2)c(Cl)c1 71899298 KFFBURVPBHMDTM-UHFFFAOYSA-N 323.868 3.892 0 40 DHAB COc1cc(Cl)ccc1C(=O)N[C@H](C)c1ccc(F)cc1 72331759 HSKHZXQEBXEGHN-SNVBAGLBSA-N 307.752 3.979 0 40 DHAB CCOc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 74957483 NQUFKVGXQGDDCG-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB C[C@H](S[C@H](C)C(=O)N(C)C)c1ccc(OC(F)F)cc1 76330155 MFAOHZNPSVPXCP-VHSXEESVSA-N 303.374 3.559 0 40 DHAB O=C(CCc1cccnc1)N1CCC(=Cc2ccccc2)CC1 79018800 DGVRAZGOJKMNEO-UHFFFAOYSA-N 306.409 3.720 0 40 DHAB CCOC(=O)C[C@H](C)S[C@H](C)c1nnc(-c2ccccc2)o1 79359116 KHJRHCJIYZHVMD-NWDGAFQWSA-N 320.414 3.873 0 40 DHAB Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 80344669 DSSMSQLNKGTJJP-CVEARBPZSA-N 309.365 3.508 0 40 DHAB C[C@@H]1C[C@@H]1[C@H](NC(=O)N(C)Cc1nccs1)c1ccccc1 80695343 LSQSKXJBKGWEGH-IVMMDQJWSA-N 315.442 3.682 0 40 DHAB CCn1c([C@H](C)NCc2ccc(Cl)nc2)nc2ccccc21 83470731 ICSHVAZQPXSWKV-LBPRGKRZSA-N 314.820 3.955 0 40 DHAB C[S@@](=O)c1ccc(CN2CCC[C@@]3(CC=CCC3)C2)cc1 93439552 NFNSDAMWQCWVPB-RXVVDRJESA-N 303.471 3.746 0 40 DHAB CC1CCN(C(=O)CSCc2c(F)cccc2Cl)CC1 98068418 GAHUQKOLBVYNGF-UHFFFAOYSA-N 315.841 3.971 0 40 DHAB COc1cc(C(=O)O[C@H]2C[C@H]3C[C@@]2(C)CC3(C)C)ccc1O 100297502 UYRQNTGJUQGOJG-QITLCBANSA-N 304.386 3.772 0 40 DHAB biogenic CC(C)(C)OC(=O)NCc1c(F)cc(Br)cc1F 188722002 UTHNDLHKIGLGSL-UHFFFAOYSA-N 322.149 3.752 0 40 DHAB O[C@H](CSCc1coc(-c2cccc(F)c2)n1)C(F)(F)F 191108783 WCAKGXWQDRXNHV-LLVKDONJSA-N 321.295 3.637 0 40 DHAB O=C(O)CCc1ccc(-c2ccc(F)cc2Br)o1 216923464 LZGCTIJBZIPLJC-UHFFFAOYSA-N 313.122 3.865 0 40 DHAB CCOc1ccc(-c2cnc(CCC(=O)NC(C)(C)C)o2)cc1 224855083 ZWWJXBMUIGTSMF-UHFFFAOYSA-N 316.401 3.588 0 40 DHAB COc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1Cl 225638814 DTJMZQMNMVEQBV-ZBEGNZNMSA-N 311.809 3.882 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc2cccc(C)c2oc1=O 226035006 KWERZYYHIPBNJE-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB Cc1ccc2nc(-c3cc(Br)c[n+](C)c3)sc2c1 226773346 IVBJYKPOWSOOSI-UHFFFAOYSA-N 320.235 3.859 0 40 DHAB CN1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12 248157140 VXWFTHKDKWPKSE-NHCUHLMSSA-N 324.443 3.674 0 40 DHAB Cc1cnc(C2(C)CCN(Cc3nccn3C(C)C)CC2)s1 257293531 QPXHDLKAQVNYRY-UHFFFAOYSA-N 318.490 3.783 0 40 DHAB CC(C)(C)NC(=O)[C@H]1CCN(Cc2cccc3ccccc23)C1 1889218199 MRJBFIJFJXVFEV-KRWDZBQOSA-N 310.441 3.576 0 40 DHAB COc1cccc(CN2CCC3(CC2)C[C@@H](C(C)C)CO3)c1 2055835576 JUROXCKMCSQNRE-QGZVFWFLSA-N 303.446 3.722 0 40 DHAB Cc1ccccc1[C@@H]1C[C@H](c2ccc(F)cc2)Nc2ncnn21 223002 FAEPNAPTSCFVQQ-SJORKVTESA-N 308.360 3.872 0 40 DHAB CSc1ncccc1C(=O)Nc1ccc(Br)cc1 515967 OTXJRGIHRPZWDP-UHFFFAOYSA-N 323.215 3.818 0 40 DHAB Cc1cc(C)c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)c1 565450 ORLXTGRTPBABNN-GZTJUZNOSA-N 306.365 3.709 0 40 DHAB CC(C)(C(=O)O)n1c(-c2ccccc2)c(-c2ccccc2)oc1=O 1592460 UFLDNZVNJPRUMV-UHFFFAOYSA-N 323.348 3.595 0 40 DHAB O=C(Nc1ccccc1F)c1cnc(Cl)nc1C(F)(F)F 2570224 NZOYRONLNGXTHW-UHFFFAOYSA-N 319.645 3.540 0 40 DHAB O=c1oc2cc(Oc3ncccn3)ccc2c2c1CCCCC2 2636538 DGVYFPABUBUCJY-UHFFFAOYSA-N 308.337 3.644 0 40 DHAB CCCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 2721408 JCZVTGOMWZZCJF-UHFFFAOYSA-N 321.424 3.809 0 40 DHAB CCN(CC)CCCOc1nc(C)nc2c1oc1ccccc12 4283282 WKLBBOKKIDNPHL-UHFFFAOYSA-N 313.401 3.795 0 40 DHAB CCSc1nsc(NC(=O)Nc2ccc(Cl)cc2)n1 4898341 VUYNHVJFZQHPQV-UHFFFAOYSA-N 314.823 3.948 0 40 DHAB COc1ccc(-c2cccc(NC(=O)c3ccccc3C)c2)nn1 4939958 RHYZWJBZEYPOLU-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB COc1cc(C)c(NC(=O)CSc2ccccc2)cc1OC 5616569 XLYGNEKOCTWBEO-UHFFFAOYSA-N 317.410 3.743 0 40 DHAB c1ccc(CN(Cc2ccccc2)c2ncnc3[nH]cnc23)cc1 5696207 LOUYAPXHFVICJA-UHFFFAOYSA-N 315.380 3.560 0 40 DHAB CC(C)C[C@@H]1NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 6509980 BIYDVNKGMYLJKD-SFHVURJKSA-N 322.408 3.820 0 40 DHAB Cc1cc(OC(C)C)cc(C)c1C(=O)OC[C@H](C)N1CCCC1 6521958 BRBLEMUGJBOMCV-INIZCTEOSA-N 319.445 3.732 0 40 DHAB COc1ccc(C)cc1NCC(=O)Nc1ccc(C)c(F)c1 7972986 MUPZYYKCXRGHJM-UHFFFAOYSA-N 302.349 3.502 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)OCc1cccc(F)c1F 8537613 JKSUVQWODXIBIS-UHFFFAOYSA-N 301.292 3.732 0 40 DHAB CC(C)n1ncc2cc(NC(=O)C3(c4ccccc4)CC3)cnc21 8749972 ASYCMVBHHVQCDM-UHFFFAOYSA-N 320.396 3.683 0 40 DHAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccco1 9328428 MODZLDBLIJAVOF-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB O=C(NCc1ccc(Cl)cc1)N1CCc2sccc2C1 9710400 BGXWCTJQFZPCHL-UHFFFAOYSA-N 306.818 3.669 0 40 DHAB O=C(COc1ccc2ccccc2c1)Nc1nc2ccccc2[nH]1 12475724 LKSWINCXMUZJCZ-UHFFFAOYSA-N 317.348 3.734 0 40 DHAB CC(=O)c1cc(CCC(=O)Nc2cnc3ccccc3c2)oc1C 12774199 UJSMWUDXDFWAHD-UHFFFAOYSA-N 322.364 3.910 0 40 DHAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 12817461 TWYJRVHSYPDYEP-CYBMUJFWSA-N 321.417 3.818 0 40 DHAB Cn1c(C(=O)NCc2ccc(Cl)cc2)cc(Cl)c1Cl 12974629 MJUCKCOZNULUMD-UHFFFAOYSA-N 317.603 3.915 0 40 DHAB O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)S1 13388280 UKOAKDJZVZQHAH-GHXNOFRVSA-N 305.742 3.924 0 40 DHAB O=C(Cc1noc2ccccc12)N(Cc1ccc(F)cc1)C1CC1 14230397 OGFQKGYDHHVJRW-UHFFFAOYSA-N 324.355 3.701 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)cc1Cl 14254363 YNPHFDJXSODJJR-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB C[C@@]12CC3CC(NS(=O)(=O)c4ccccc4)(C1)C[C@](C)(C3)C2 16606192 CORZIRFJVYXBON-JGAFYBCUSA-N 319.470 3.714 0 40 DHAB C[C@@H]1CCCN(C(=O)COc2cccc(Cl)c2Cl)C1 20569945 CNAUPRRMNFNVFJ-SNVBAGLBSA-N 302.201 3.631 0 40 DHAB O=C(Nc1ccccc1Cl)c1cnn(Cc2ccccc2)c1 20886405 TVGOFHBWFAPXNW-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1OC 22518058 SDKIJDRTVMWLNA-OAHLLOKOSA-N 303.333 3.630 0 40 DHAB Cc1cccc(NC(=O)c2cccc(Nc3ncccn3)c2)c1 24483300 OVYKWZBRUUUAEW-UHFFFAOYSA-N 304.353 3.781 0 40 DHAB C[C@H](N[C@H](C)c1cccc(Cl)c1)C(=O)NCc1cccs1 24985727 OYZDIASZDFTYCR-NEPJUHHUSA-N 322.861 3.757 0 40 DHAB Cc1cccc(NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1C 25596641 YQVPKIGRXAMPKB-AWEZNQCLSA-N 300.377 3.732 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H](c2nc3ccccc3o2)C1 27380108 KKUPGGATJAVMQL-ZJIFWQFVSA-N 324.424 3.970 0 40 DHAB CCn1c(SCc2cccc(F)c2)nc2ccsc2c1=O 27821836 SCQRARWJTYMZAE-UHFFFAOYSA-N 320.414 3.909 0 40 DHAB O=C(NC(C1CC1)C1CC1)c1cc(-c2cccc(Cl)c2)on1 30040224 MGBMFGOWPXJRGV-UHFFFAOYSA-N 316.788 3.913 0 40 DHAB COc1cccc(Oc2ccc(-c3ccc(C(=O)O)cc3)nn2)c1 32918456 CQRHCEIFADOSAB-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB CCC[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 33028948 IHXACGYPPGLOPZ-PMACEKPBSA-N 324.468 3.989 0 40 DHAB Cc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2C)c(C(C)(C)C)c1 35031460 OFEQUOJOHSEPLP-IRXDYDNUSA-N 319.489 3.907 0 40 DHAB Cc1c(C(=O)OC2CCCCC2)nnn1-c1ccc(Cl)cc1 36639030 QBNPDJKBJVXOPJ-UHFFFAOYSA-N 319.792 3.719 0 40 DHAB CC(C)c1noc([C@H]2CCCCN2C(=O)c2cccs2)n1 40714545 RHLWMKPQZKEITH-LLVKDONJSA-N 305.403 3.622 0 40 DHAB COCCN(Cc1ccsc1)C(=O)c1ccccc1SC 42382163 MXGKJRRZPLFTAS-UHFFFAOYSA-N 321.467 3.759 0 40 DHAB CC1CCN(Cc2ccc(NC(=O)c3ccccn3)cc2)CC1 43268121 XXUPHNPBGONBNG-UHFFFAOYSA-N 309.413 3.566 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)c2oc(Br)cc2C)o1 45042716 MBILQBXKFKHJDQ-SECBINFHSA-N 312.163 3.743 0 40 DHAB CC[C@@H]1CCc2nc(NC(=O)c3cc(Cl)c[nH]3)sc2C1 48805074 CACOXIWERCMDLQ-MRVPVSSYSA-N 309.822 3.892 0 40 DHAB CN(Cc1csc2ccccc12)C(=O)NCc1cscn1 51307959 ZTERDVUBUIJFPN-UHFFFAOYSA-N 317.439 3.699 0 40 DHAB CCN(C(=O)Nc1cccc(CN(C)C(C)=O)c1)[C@@H](C)C(C)C 67664622 RLMRANWNZVMVIN-AWEZNQCLSA-N 319.449 3.563 0 40 DHAB Cc1cccc(CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 71799372 BOWGHTFNGFWIAK-UHFFFAOYSA-N 323.396 3.592 0 40 DHAB Cc1cccnc1[C@@H](NC(=O)N[C@H](C)c1nccs1)C(C)C 71909203 LEOLYXGGTQYLNM-OLZOCXBDSA-N 318.446 3.604 0 40 DHAB CC(C)N1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214318 NCJXSRCIXZWBJY-AWEZNQCLSA-N 305.422 3.974 0 40 DHAB C[C@@]1(C(=O)N2CC=C(c3cccs3)CC2)CC1(Cl)Cl 72287361 MZFNVFHPYBCPPX-ZDUSSCGKSA-N 316.253 3.948 0 40 DHAB CC[C@H](NC(=O)c1ccco1)c1nc(C(F)(F)F)cs1 73278988 QBSVYZAVJRBEPZ-ZETCQYMHSA-N 304.293 3.636 0 40 DHAB C[C@@H](Nc1ncnc2[nH]ncc12)c1ccc(-c2cccnc2)cc1 75092074 KUWDPONSRDTWLS-GFCCVEGCSA-N 316.368 3.588 0 40 DHAB C[C@H](NCc1cc(C(N)=O)cs1)c1cccc2ccccc12 79000539 DZALNNOSSXEZSZ-LBPRGKRZSA-N 310.422 3.851 0 40 DHAB COc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccco2)c1 83973284 UIMPFTZUCHOPDN-ULQDDVLXSA-N 311.381 3.755 0 40 DHAB CC(=O)Nc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 91695515 PFOWBLWZDFIWSZ-UHFFFAOYSA-N 323.318 3.792 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(F)c1 95918008 MUXQNPCTAODZDG-ZDUSSCGKSA-N 309.337 3.596 0 40 DHAB CC[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1)c1ccncc1 96437455 RBNZNWKSBPEURN-MLGOLLRUSA-N 301.365 3.732 0 40 DHAB C[C@@H](NCc1nnc(C2CC2)o1)c1ccc(-c2ccncc2)cc1 96492190 CLFCOGNFWACTTR-CYBMUJFWSA-N 320.396 3.860 0 40 DHAB CC1=CC[C@H]2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)[C@@H]2C1 100174062 ZZNPGQANDYFMNC-QXIYBXNSSA-N 313.441 3.544 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4ccc(Cl)cc4)C[C@H]1CC[C@@]23C 100776558 SDMJHDVEKJYDPV-HSHDSVGOSA-N 305.805 3.874 0 40 DHAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1Cc1ccccc1Cl 106684151 JNUWFBLIRSGGCQ-JYRVWZFOSA-N 318.785 3.905 0 40 DHAB O=C(c1cnccn1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206878901 ARQGCMIEWRUHSC-CQSZACIVSA-N 315.804 3.540 0 40 DHAB Cc1ccc(OCC(=O)n2c(C)c(CO)c3ccccc32)cc1C 218738076 IJFNOOWFFVHPJJ-UHFFFAOYSA-N 323.392 3.778 0 40 DHAB CSc1ccccc1NC(=O)c1c(C)nc2ccc(C)cn12 223148283 SHRVHMAAUKPGCN-UHFFFAOYSA-N 311.410 3.925 0 40 DHAB CCOc1ccccc1CNC(=O)CCc1ccc(C)c(C)c1 224128778 UUQBTEZCIUSUIG-UHFFFAOYSA-N 311.425 3.951 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCc1ccc(F)cc1 224619085 INENMLOUCXYHKQ-GOSISDBHSA-N 315.388 3.650 0 40 DHAB CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 225229238 KNIMVCDNUSUQTQ-GOEBONIOSA-N 322.880 3.713 0 40 DHAB CCOC(=O)c1ccc(N[C@H](C)CCc2ccccc2)c(N)c1 225448705 VZHSIOCLSOTKQJ-CQSZACIVSA-N 312.413 3.879 0 40 DHAB COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C)n1 225884917 SDQCVICCTMGWTM-UHFFFAOYSA-N 322.449 3.815 0 40 DHAB Cc1cc([C@H]2CCCN2Cc2ccc(C(=O)O)c(Cl)c2)on1 576114528 WUJKSJMAEBFTOF-CQSZACIVSA-N 320.776 3.672 0 40 DHAB CCc1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)n[nH]1 594636125 UFUYLRBDYBZWLQ-SFHVURJKSA-N 322.412 3.821 0 40 DHAB Cc1cnccc1OCC1CCN(c2nc3ccccc3o2)CC1 2079515755 SCMBPPYUIJVGAK-UHFFFAOYSA-N 323.396 3.827 0 40 DHAB COc1cc(-c2nc3ccccc3s2)cc(OC)c1OC 501717 OWRCNKRRSJRMCC-UHFFFAOYSA-N 301.367 3.989 0 40 DHAB Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cc(=O)o2)cc1C 550303 ORTHLXBOQAACSC-UHFFFAOYSA-N 321.332 3.714 0 40 DHAB O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccccc2)n1 1470746 HKCFKNITTXYNFT-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB O=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)s1 2649637 CACCCLWPLQFNDX-UHFFFAOYSA-N 300.408 3.917 0 40 DHAB CCOc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 3093621 HAUGHSNSYUKOOR-UHFFFAOYSA-N 321.380 3.898 0 40 DHAB O=C(COc1ccccc1C(=O)O)Nc1cccc2ccccc12 3235058 DAHBYJQNPFMWCL-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(C)c2C)cc1 3415527 FZHBMPAYXIUXQG-OAHLLOKOSA-N 311.381 3.796 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 3486815 JZTQYJRBTNRCDK-KSSFIOAISA-N 317.429 3.743 0 40 DHAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CCCC1 4033059 QEJKHSXYTKBYDU-UHFFFAOYSA-N 320.396 3.833 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3ccccc13)[C@H]1C=C[C@@H]2C12CC2 4178109 FZFDSNPOONNEQV-MVJTYMMSSA-N 315.372 3.541 0 40 DHAB COCc1c(C(=O)OCC(=O)c2ccccc2)oc2ccccc12 5203304 XAZVUXJTTQYYGO-UHFFFAOYSA-N 324.332 3.619 0 40 DHAB COc1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1 5442798 QLIDPLIVWZTLPH-LJQANCHMSA-N 309.409 3.822 0 40 DHAB CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccccc1 6883129 DRAKOFLLHGKNSL-UHFFFAOYSA-N 319.832 3.780 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1CC(F)(F)F 7113367 BWYDSHZOKYJWON-GFCCVEGCSA-N 312.316 3.877 0 40 DHAB Cc1ccc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)s1 7128505 LFBKQVUYCHDPRK-UHFFFAOYSA-N 313.378 3.506 0 40 DHAB CCNc1nnc(SCc2cc(-c3ccco3)on2)s1 7248916 XQFWDNPOBWGNQA-UHFFFAOYSA-N 308.388 3.510 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 8745807 SHEJZAUIPSNJER-SCZZXKLOSA-N 323.418 3.564 0 40 DHAB Cc1ccc(C(=O)CSc2nnc(C)n2-c2ccccc2)cc1 9142909 DWKCEKHCQXSKQV-UHFFFAOYSA-N 323.421 3.859 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3cccs3)cc12 9514460 MGJDSOUUCWYMJZ-JTQLQIEISA-N 315.398 3.899 0 40 DHAB CCn1c(NC(=O)c2ccc3ccccc3n2)nc2ccccc21 10237340 UZPXORGEIMENHG-UHFFFAOYSA-N 316.364 3.857 0 40 DHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCc2ccccc21 10408348 BVFUEWWKHVMQSD-UHFFFAOYSA-N 320.396 3.524 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1 12215978 KDFPGLMZDZUUHB-LLVKDONJSA-N 321.829 3.754 0 40 DHAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1Cl 12454325 YZRMRTZYKANCTN-UHFFFAOYSA-N 317.772 3.948 0 40 DHAB CC(C)N(C(=O)COC(=O)/C=C/c1ccccc1Cl)C(C)C 12660177 OEBLCKMIZJLMNF-MDZDMXLPSA-N 323.820 3.542 0 40 DHAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 12763855 XUSVRNUVMDPBNZ-GRDNDAEWSA-N 322.408 3.772 0 40 DHAB Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3)c(=O)oc2c1 12773301 IFUUSENTKCQTDG-UHFFFAOYSA-N 321.376 3.981 0 40 DHAB COc1ccccc1CN(C)CC(=O)c1c(C)[nH]c2ccccc12 14135196 DYMJXJXZRIZEBU-UHFFFAOYSA-N 322.408 3.800 0 40 DHAB C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CC1 18207938 CRPVDYBPOVXCBU-ZDUSSCGKSA-N 305.381 3.554 0 40 DHAB Cc1ccc(NC(=O)c2ccc(C)nc2)c(Br)c1 19431156 ZZKDCIZZIDKJNR-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccco1)c1cccc(Br)c1 20030326 SMTYYYXMDMYMMQ-WSKFYRRCSA-N 320.186 3.933 0 40 DHAB CCCCCNC(=O)CCc1ccc(OCC)c(OCC)c1 20050513 QAGBTUVDOXQCRE-UHFFFAOYSA-N 307.434 3.723 0 40 DHAB CN(C)CCNCc1ccc(OCc2ccccc2Cl)cc1 22075063 OEDRMNNOTHVTOV-UHFFFAOYSA-N 318.848 3.570 0 40 DHAB CCC[C@@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 22461821 RRGCHPIPEDIMGO-CQSZACIVSA-N 307.397 3.944 0 40 DHAB CCN(CC)[C@H](CNC(=O)c1sccc1C)c1ccccc1 22752174 QNUFLAAPNBWQPD-MRXNPFEDSA-N 316.470 3.869 0 40 DHAB O=C(NCc1ccccc1)Nc1cccc(OC(F)(F)F)c1 24691221 OEKMERKDVGJNCP-UHFFFAOYSA-N 310.275 3.907 0 40 DHAB O=C(NCc1ccccc1)NCc1ccc(C(F)(F)F)cc1 25089133 SCXJTJOJKWABEC-UHFFFAOYSA-N 308.303 3.705 0 40 DHAB CN(Cc1ccccc1F)C(=O)c1cc(-c2ccccc2)on1 32195397 BAZKLYQYNFPTTP-UHFFFAOYSA-N 310.328 3.753 0 40 DHAB Cc1ccc(S(=O)(=O)N2CC[C@@H](C)c3ccccc32)s1 32444288 RNEBDCJGYQCMNF-LLVKDONJSA-N 307.440 3.759 0 40 DHAB Cc1ccc2nc(C)c(C(=O)Nc3nc4ccccc4[nH]3)cc2c1 32854464 YPXIMOWXEGIIAF-UHFFFAOYSA-N 316.364 3.980 0 40 DHAB O=C(NCc1csc(Br)c1)c1ccccc1F 32923010 KZAWKUSCPZDBSQ-UHFFFAOYSA-N 314.179 3.580 0 40 DHAB CCc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1 36635567 IDSMOZGKNDYSOV-SFHVURJKSA-N 322.408 3.610 0 40 DHAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 38849281 LDDQRVBFWFNMDZ-MRXNPFEDSA-N 312.388 3.676 0 40 DHAB Cc1ccc(S(=O)(=O)Cc2cc(-c3ccccc3)on2)cc1 43849783 FLNYEOYFUMFIHJ-UHFFFAOYSA-N 313.378 3.624 0 40 DHAB COC(=O)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 46524203 GZJIXUHTVWNGQE-UHFFFAOYSA-N 323.352 3.527 0 40 DHAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccccc2)c1 46664564 FYSSDTKMOQZXNJ-HNNXBMFYSA-N 313.397 3.558 0 40 DHAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1cccnc1 47670713 HJYWJDYROHUICH-UHFFFAOYSA-N 311.362 3.516 0 40 DHAB O=C(NCCc1nccs1)Nc1cc(Cl)ccc1Cl 51582621 DBWRXMTWLTVIHR-UHFFFAOYSA-N 316.213 3.814 0 40 DHAB CC(C)c1ccc(-c2noc(CCC(=O)NC(C)(C)C)n2)cc1 55275850 BPFYYDOJVDDPHD-UHFFFAOYSA-N 315.417 3.707 0 40 DHAB C[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1nc(C2CC2)no1 56202944 ISJJTUZGRNBISK-NSHDSACASA-N 316.380 3.859 0 40 DHAB COc1ccc(CN(C)C(=O)C2(c3ccccc3)CC2)cc1F 60612547 SAGOSLSTHITXGJ-UHFFFAOYSA-N 313.372 3.525 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2ncoc2c1 65513290 FJHPKPWDVPRNJD-UHFFFAOYSA-N 322.349 3.599 0 40 DHAB COc1ncccc1-c1ccc(NC(=O)c2cccnc2)c(C)c1 67818355 CAQORTCDCOMPTI-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB C[C@H]1CCc2c(sc3ncnc(N4CCCSCC4)c23)C1 69351990 ZXVGBQJWHDEHBT-NSHDSACASA-N 319.499 3.759 0 40 DHAB Cc1noc(C)c1CCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 70007860 UQPFVCSIAWUFJJ-IBGZPJMESA-N 324.424 3.903 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216676 RVWVUXUWPOLEOI-QGZVFWFLSA-N 301.434 3.536 0 40 DHAB Cc1ccccc1C(=O)Nc1cc(N(C)C)c(N)cc1Cl 72229045 QGDSPBRYSBUCOY-UHFFFAOYSA-N 303.793 3.549 0 40 DHAB O=C(NCCCCCCCN1CCCC1)Nc1ccc(F)cc1 72273197 JUGANXGHSBTLNI-UHFFFAOYSA-N 321.440 3.994 0 40 DHAB Cn1c(C(=O)Nc2nc3c(s2)CCC3)cc2cc(F)ccc21 72402962 YXJCUCRTICURBC-UHFFFAOYSA-N 315.373 3.515 0 40 DHAB Cc1cc(CNC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)no1 73872602 OCEXQCNDRLMMGM-NHYWBVRUSA-N 317.389 3.567 0 40 DHAB O=C(Nc1ncccc1OCC1CCCCC1)c1cscn1 78487919 KTGXRPCEBUOVTD-UHFFFAOYSA-N 317.414 3.750 0 40 DHAB CN1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 82336883 XBXBPBIKAVKZHD-HNNXBMFYSA-N 310.397 3.759 0 40 DHAB CCN(CC)[C@@H](CNCc1cc[nH]c1)c1ccccc1Cl 86249468 VMWVFAPAQJFRJJ-KRWDZBQOSA-N 305.853 3.841 0 40 DHAB Cc1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1-c1ncco1 89652178 CBZJBSDMJASUPL-CYBMUJFWSA-N 317.414 3.619 0 40 DHAB CCOc1ccc2ccccc2c1COC(=O)[C@H]1CCO[C@@H]1C 92309402 TWYWSADOLPKJPC-HIFRSBDPSA-N 314.381 3.707 0 40 DHAB CC(C)c1nnc(CN2CCC[C@@H]2c2ccc(Cl)cc2)n1C 95393599 XUBUCSWQLNFCNW-OAHLLOKOSA-N 318.852 3.929 0 40 DHAB Cn1c(C(=O)Nc2ccc3ncc(Cl)n3c2)cc2ccccc21 95464833 RLBCKDJVOMAUEB-UHFFFAOYSA-N 324.771 3.732 0 40 DHAB COCc1cc(Sc2nc(C)c(C)o2)nc(C(C)(C)C)n1 95972998 GQZMGNLTVMAMTO-UHFFFAOYSA-N 307.419 3.677 0 40 DHAB c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccco2)cc1 96061583 LJFIOMAENHKCML-VQTJNVASSA-N 311.425 3.892 0 40 DHAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccsc3)cc2)C1 96122421 WBLFOWFIALDSIN-INIZCTEOSA-N 316.426 3.616 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c(C)c1 96659230 YOORHALCTWOKPZ-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CN1C(=O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 104115404 LSTYNRPPTUJOBK-WRPXMVFYSA-N 317.473 3.521 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 169619660 MSFKJQSFWWCTGC-LJWYFPFNSA-N 313.397 3.662 0 40 DHAB COc1ccc(NC(=O)N2C[C@H]3[C@H](C2)C3(C)C)cc1OC(C)C 184208518 VCCVPYULAKTHBW-KBPBESRZSA-N 318.417 3.602 0 40 DHAB Cc1ccccc1[C@@H]1CCN(C(=O)Cn2cccc2)CCS1 219288704 DODKTEQNNXMNRE-KRWDZBQOSA-N 314.454 3.503 0 40 DHAB C[C@H](NC(=O)c1ccc2nc(Cl)n(C)c2c1)c1ccccc1 222543286 WJWJNKOWRZFXLB-NSHDSACASA-N 313.788 3.718 0 40 DHAB COc1cccc(OC)c1CCC(=O)NC1CCCCCCC1 225996008 XHAZPFZJFFGILV-UHFFFAOYSA-N 319.445 3.866 0 40 DHAB O=C(c1sccc1Br)C(F)(F)C(F)(F)F 236203470 HQAXIVMFWXPSNU-UHFFFAOYSA-N 309.053 3.891 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)c1sccc1C1CC1 362751560 HUDDGAGTYSPKPB-UHFFFAOYSA-N 301.367 3.884 0 40 DHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1F)c1cc2cc(F)ccc2[nH]1 584906720 BDEVKIDFPGPQJC-CZUORRHYSA-N 312.319 3.732 0 40 DHAB CCc1nccn1CC1CN(Cc2ccc(C(F)(F)F)cc2)C1 2086886939 GLOAJOPKIYSQMT-UHFFFAOYSA-N 323.362 3.596 0 40 DHAB Cc1ccc(C(C)C)c(OCCN2C(=O)c3ccccc3C2=O)c1 88202 UAEUUMKVGQCASH-UHFFFAOYSA-N 323.392 3.793 0 40 DHAB O=C1O[C@@H](Nc2ccccc2Br)c2ccccc21 91692 DPXRSEJWDQURIF-CYBMUJFWSA-N 304.143 3.730 0 40 DHAB Clc1ccc(Nc2ccc(-n3ccnc3)nn2)cc1Cl 387067 CENQALGCQDZJLK-UHFFFAOYSA-N 306.156 3.713 0 40 DHAB aggregator COc1cccc(OC)c1/C=C/C(=O)N[C@H](C)c1ccccc1 574350 UHJMQYQUPGNOKC-XTZCOPOCSA-N 311.381 3.594 0 40 DHAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccs1 1053773 AHJGLMKZROXYJL-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB C[C@]12COC(=O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 3831248 QSLJIVKCVHQPLV-GJZQLZGMSA-N 306.446 3.543 0 40 DHAB COC(=O)[C@@H]1[C@H](C[C@H](O)c2ccccc2)[C@@H]2CC[C@@]1(C)C2(C)C 3846218 LLZXMKJMTYWIHO-ZPFYTHJMSA-N 316.441 3.972 0 40 DHAB COC(=O)/C(=C/c1cccs1)c1ccc(/C=C/C(=O)O)s1 3851631 SJMVEQKIANDSJT-SWCFZJNMSA-N 320.391 3.621 0 40 DHAB C[S@@](=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 5377758 SGZXNMUXPVCCIC-NRFANRHFSA-N 318.785 3.794 0 40 DHAB COc1ccc2c(c1)CN1[C@@H](CC[C@H]3c4ccccc4N[C@@H]31)C2 5487729 ZCMHYIDKKDQGBL-ZAAXVRCTSA-N 306.409 3.751 0 40 DHAB COC(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1Cl 6440976 KQAZKGVEDUUAKF-JXMROGBWSA-N 315.756 3.779 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 6901548 OJTKGTGAITXQLV-UHFFFAOYSA-N 314.429 3.533 0 40 DHAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1O 6960115 DELKAIXBVSUZJY-UHFFFAOYSA-N 313.422 3.525 0 40 DHAB CCOCc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC 7751047 PKMWCQLRNIQWMS-AWEZNQCLSA-N 313.397 3.723 0 40 DHAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccncc1 8428216 YOXGPEMHGQGNQV-NSHDSACASA-N 308.303 3.520 0 40 DHAB COc1ccc(Cl)cc1CC(=O)Nc1cc(C)ccc1OC 9609564 VANLZKXHEWEBQU-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB CCn1c(NC(=O)Cc2c[nH]c3ccccc23)nc2ccccc21 10237342 ZMMFDPQHHHPHIA-UHFFFAOYSA-N 318.380 3.719 0 40 DHAB COc1ccccc1NC(=O)c1sc(-n2cccc2)nc1C 11865918 GMMBHSVVMMDBEU-UHFFFAOYSA-N 313.382 3.503 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)c1 12475496 SWXHIDUAHXSCLQ-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2ccc3ncsc3c2)c1 15421722 ZTDITIBMHRJHGG-UHFFFAOYSA-N 311.366 3.507 0 40 DHAB O=C(Cc1ccccn1)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373831 XKEGCBQWPRMIQS-QIJZPMMNSA-N 320.436 3.713 0 40 DHAB CCCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2C)c1 20141470 CJHIIWXFKSSBJH-UHFFFAOYSA-N 313.353 3.734 0 40 DHAB Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1cccnc1 24536570 QXPCBRNAKIMQEX-UHFFFAOYSA-N 311.772 3.522 0 40 DHAB Cc1cccc(NC(=O)CSCc2ccc(Cl)s2)n1 28194549 UEOVFVWLVBLJMY-UHFFFAOYSA-N 312.847 3.977 0 40 DHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccs1 32871766 FLKZFMYHLXWKTE-UHFFFAOYSA-N 324.409 3.544 0 40 DHAB Cc1ccc(OCC(=O)NCC2(c3ccccc3)CC2)c(C)c1 32872007 YZRTZEHVGHPAJA-UHFFFAOYSA-N 309.409 3.530 0 40 DHAB CC(C)c1ccccc1NC(=O)C(=O)NCCC1=CCCCC1 42646356 HPFKJFZAVHCXEN-UHFFFAOYSA-N 314.429 3.755 0 40 DHAB Nc1ccc([S@@](=O)c2ncc(C(F)(F)F)cc2Cl)cc1 43827954 YAOSSDBUIGFYHS-FQEVSTJZSA-N 320.723 3.503 0 40 DHAB C[C@@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccccn1 44892323 JOGWAPPOUGUULJ-OCCSQVGLSA-N 301.415 3.751 0 40 DHAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(F)cc2)o1 49545157 LTQXKBOGRRQRLN-GFCCVEGCSA-N 311.316 3.943 0 40 DHAB CCN(CCNC(=O)CCc1ccsc1)c1ccccc1C 58966760 ZYFSUFIYNIJDRQ-UHFFFAOYSA-N 316.470 3.632 0 40 DHAB CCOc1ccc(C(=O)N(C)CCc2ccccc2F)cc1 68213043 BRXNBDNHURULME-UHFFFAOYSA-N 301.361 3.539 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c1 71977282 UPIFPGFWCWYQRT-UHFFFAOYSA-N 319.426 3.891 0 40 DHAB CC(C)N1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214498 AFQONVVXEXFGSM-HNNXBMFYSA-N 319.449 3.998 0 40 DHAB Cc1cccc(-c2[nH]ncc2C(=O)N[C@@H]2CCc3ccccc32)c1 72329145 DZJWTMLODHEEHH-GOSISDBHSA-N 317.392 3.802 0 40 DHAB COCc1nc2cc(NC(=O)c3cscc3C)ccc2o1 79965916 VVKCTQNJZNWMTG-UHFFFAOYSA-N 302.355 3.596 0 40 DHAB Cc1ccc(NC(=O)CCN[C@H](C)c2ccncc2)c(Cl)c1 89669701 WCFFFFXYJUWWNK-CYBMUJFWSA-N 317.820 3.723 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 95377406 OCCJWPXQRZAEBU-VXGBXAGGSA-N 323.318 3.788 0 40 DHAB C[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccc2ccccc2n1 95967210 FRBYESYGQUPTHL-YOEHRIQHSA-N 304.393 3.889 0 40 DHAB COc1ccc(Br)cc1SCc1ccno1 96422247 BDPSRADUKNKYKV-UHFFFAOYSA-N 300.177 3.738 0 40 DHAB O=C(NCc1cccnc1)Nc1cccc(Oc2ccccn2)c1 96435609 CLUTWFUKIUTCMO-UHFFFAOYSA-N 320.352 3.591 0 40 DHAB C[C@H](NCC[C@@H](C)[S@](C)=O)c1cc2cc(Cl)ccc2o1 97034753 RZYBPQYEYUABPM-QZXWKGOOSA-N 313.850 3.894 0 40 DHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 105644502 YIVPJNWRBALPOE-RRCSTGOVSA-N 313.784 3.598 0 40 DHAB CCC(=O)N1CC[C@H](N[C@H](C)c2cc3ccccc3s2)C1 188156543 BMHLVSKIGLAEOX-OCCSQVGLSA-N 302.443 3.563 0 40 DHAB CC(C)[C@H](C)NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 225213976 GIEICFOSJOJGJH-CVEARBPZSA-N 302.462 3.693 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC[C@H](C)C1 225425669 JBVPPLOBVBCMRB-KXBFYZLASA-N 315.457 3.981 0 40 DHAB CCOc1ccccc1NC(=S)NCCCOC1CCCC1 225619137 MONIYIKAZCEISC-UHFFFAOYSA-N 322.474 3.721 0 40 DHAB Cc1cc(N)c(NC(=O)COc2cccc(C)c2C)cc1Cl 226358956 REKSZUIKPCVOJM-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB CC(C)c1nc(Cc2noc(-c3ccc(F)cc3O)n2)cs1 273862432 MWJIJMICAGLQGN-UHFFFAOYSA-N 319.361 3.752 0 40 DHAB C[C@]1(CCCO)CCCN1C(=O)c1ccc(F)c2ccccc12 280433810 AFXDVGTZGHCIGA-LJQANCHMSA-N 315.388 3.746 0 40 DHAB O=Cc1nc(Br)c(-c2c(Cl)cccc2Cl)[nH]1 1857794727 IHDUXBMHORFLDZ-UHFFFAOYSA-N 319.973 3.959 0 40 DHAB COC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 132297 INSPSYOIWBCDKX-UHFFFAOYSA-N 316.407 3.623 0 40 DHAB CSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 182982 WWJKFKIQEVDEQU-UHFFFAOYSA-N 317.439 3.813 0 40 DHAB C[C@H]1C(=O)O[C@@H](c2ccc(Cl)cc2Cl)C(C)(C)C1=O 351344 XQENWXGXIYCFMK-KRTXAFLBSA-N 301.169 3.823 0 40 DHAB COc1ccc(OC)c(NC(=O)Cc2ccc(Cl)cc2)c1 362391 QARWRMCYFYXMBU-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB O=C(O)Cc1cc(Cl)c2oc(-c3ccccc3)cc(=O)c2c1 395700 QTYWISKLCKDMFW-UHFFFAOYSA-N 314.724 3.741 0 40 DHAB C[C@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)C1CCCC1 1683408 CNFNVXPDSNSPKW-APWZRJJASA-N 315.457 3.988 0 40 DHAB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc(Cl)c1 3247252 USTMUFJIZKQLPD-LLVKDONJSA-N 309.793 3.791 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)s1 3384671 QJNQONMWDUGXPL-UHFFFAOYSA-N 323.801 3.814 0 40 DHAB CCCN(CCC)C(=O)CCCCC(=O)N(CCC)CCC 5298649 VDYQQFXNCPRWIB-UHFFFAOYSA-N 312.498 3.844 0 40 DHAB COc1ccc(NC(=O)c2ccc3ncsc3c2)c(OC)c1 8344663 HODZKIHFRWTTJL-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB Cc1cc(C)cc(OCC(=O)NCCSc2ccccc2)c1 8361072 ZVNBOCRIYFWCRI-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB O=C(CC1(C(=O)O)CCCCCC1)Nc1c(F)cccc1F 8922363 RQIYMSONIAVFGT-UHFFFAOYSA-N 311.328 3.719 0 40 DHAB COc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12560108 FPAWYDATORDDOP-KRWDZBQOSA-N 321.380 3.549 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 12631305 JHCZNDKMDBOVJD-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)c1cnc2c(cnn2C(C)C)c1 12905221 CKQQNNFPZAMPKG-CYBMUJFWSA-N 302.422 3.567 0 40 DHAB COc1ccc([C@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 13131452 FKGAZANKFJFJLQ-MSOLQXFVSA-N 320.396 3.741 0 40 DHAB aggregator CCCc1cc(C(N)=O)c(NC(=O)c2ccccc2Cl)s1 13327068 RXYNEFAZNQFKCY-UHFFFAOYSA-N 322.817 3.705 0 40 DHAB CCc1nn2c(C)c(CCC(=O)O)c(C)nc2c1-c1ccccc1 13690001 JRSHHNNBGIRMQF-UHFFFAOYSA-N 323.396 3.593 0 40 DHAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1 13750186 UHDHCGCIDKAZRO-UHFFFAOYSA-N 324.380 3.564 0 40 DHAB O=C(NC1CC1)[C@H](Oc1cccc(Cl)c1)c1ccc(F)cc1 14073477 AEXSYFWINSSVAU-MRXNPFEDSA-N 319.763 3.878 0 40 DHAB CCCCC[C@@H]1c2c(cc(C)[nH]c2=O)O[C@H](O)[C@@H]1CCCC 17105943 XYEMAWINWUXDNL-IYOUNJFTSA-N 307.434 3.864 0 40 DHAB Cc1cc(Br)ccc1NC(=O)c1cccc(N)c1 19403154 RPOYUZGROQGWSA-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB O=C(Nc1ccc2ccccc2c1)c1ccc(-n2cccn2)nc1 19910500 PERJBHLBJCAOBU-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2C)c1 20447817 WOZDZHGGJDAQKV-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB CCOc1ccc(CCC(=O)NCCC(C)C)cc1OCC 20458235 FKJIENXWEDBPIB-UHFFFAOYSA-N 307.434 3.579 0 40 DHAB CN1C(=O)Cc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21 22506610 TVZXUOJBXOVXOR-UHFFFAOYSA-N 315.760 3.503 0 40 DHAB CC(C)=CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 22896438 XYFADFUMFSPGIZ-UHFFFAOYSA-N 317.458 3.911 0 40 DHAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)C3CC3)o2)cc1C 25595153 KMAILOKBJLVAJE-CQSZACIVSA-N 312.413 3.806 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)cc1 28303970 GUUALXPEQGRORY-HNNXBMFYSA-N 320.392 3.977 0 40 DHAB C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(F)c(F)c1 32914101 FWZZETIESZJEOG-QWHCGFSZSA-N 319.351 3.747 0 40 DHAB Cc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)nc1 32914190 ZRQIJCOPMGFTTJ-UHFFFAOYSA-N 323.421 3.619 0 40 DHAB COC(=O)c1c(C=O)c2ccc(C)cc2n1Cc1ccc(C)cc1 32917069 RTNPZMIAMXEUMW-UHFFFAOYSA-N 321.376 3.906 0 40 DHAB Cc1nc(C(=O)Nc2nccs2)c(-c2ccccc2)s1 40326454 LNHSUQLBGRNPKL-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB CCc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 41761414 GMEUUUZUKPBLQJ-UHFFFAOYSA-N 309.409 3.936 0 40 DHAB COc1cc(OC)cc(C(=O)c2ccccc2Br)c1 43210127 ZRTJMTZHOYTQGJ-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB CC(C)Oc1ccc(CNC(=O)c2cc(F)ccc2F)cc1 46729878 VNWBNGMINVVIDD-UHFFFAOYSA-N 305.324 3.682 0 40 DHAB O=C(Cc1ccccc1Cl)Nc1ccc2oc(=O)ccc2c1 48365041 JHNHDGIQYDQTLJ-UHFFFAOYSA-N 313.740 3.628 0 40 DHAB CCCc1nc(NCc2cccs2)c2c(n1)c(C)nn2CC 57355821 ASPRVXBYOYJIEF-UHFFFAOYSA-N 315.446 3.781 0 40 DHAB COCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1 57615196 DPTOCCSKVRHFIQ-UHFFFAOYSA-N 321.760 3.726 0 40 DHAB CN(C)C(=O)c1ccc(OCc2ccc(F)c3cccnc23)cc1 58014523 FKRTXHCTPVBECN-UHFFFAOYSA-N 324.355 3.655 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1ccc(F)c(F)c1 58217995 YKFJTZRVAWRBPT-CYBMUJFWSA-N 318.367 3.621 0 40 DHAB COC(=O)/C=C/c1ccc(OCc2ccc(C)c(OC)c2)cc1 62715703 KVMUBKDIJXKSEF-DHZHZOJOSA-N 312.365 3.769 0 40 DHAB O=C([C@H]1C[C@H]1c1ccccc1Br)N1CCCCC1 69416813 NZTSFBQGQSVEHI-STQMWFEESA-N 308.219 3.565 0 40 DHAB C[C@@H](NC(=O)c1cn[nH]c1-c1cccs1)c1ccc(F)cc1 71115996 JXKMHWJEZFDPBJ-SNVBAGLBSA-N 315.373 3.768 0 40 DHAB COc1cccc(-c2cc(-c3ccccc3C)nc(N)n2)c1OC 71978088 YBOIRYNPZACUQA-UHFFFAOYSA-N 321.380 3.718 0 40 DHAB CN(C)c1ccccc1CNCc1cccc(Br)c1 75582518 TYHHSBQQBTYBNA-UHFFFAOYSA-N 319.246 3.805 0 40 DHAB Cc1nc(C)c(CN[C@H]2CCCc3c2cnn3C(C)(C)C)s1 76018128 MEFBHUNLNUVQFR-AWEZNQCLSA-N 318.490 3.879 0 40 DHAB CCOC(=O)c1cc(NC(=O)Nc2cccc3ccccc23)c[nH]1 76092145 UKLNOXJGPLJWDU-UHFFFAOYSA-N 323.352 3.989 0 40 DHAB Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)c(CN(C)C)c1 79305598 GKCHNNLMWWBJEW-UHFFFAOYSA-N 307.397 3.790 0 40 DHAB COc1ccc(NC(=O)/C=C/C2CC2)cc1OCc1cccnc1 79524161 KCJALSHSQAAEHM-RMKNXTFCSA-N 324.380 3.574 0 40 DHAB Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1ccncc1 84013704 ROJGHJNKGKFOJS-UHFFFAOYSA-N 312.348 3.667 0 40 DHAB CCC(=O)N1CC[C@@H](NCc2ccc3ccccc3c2)[C@H](CC)C1 89949003 MYISRYVKJWFWIP-YLJYHZDGSA-N 324.468 3.967 0 40 DHAB CC(C)Oc1ccc(CN[C@H](C)c2nc3ccccc3n2C)cn1 91287178 PVWYVZCZRYQZGK-CQSZACIVSA-N 324.428 3.606 0 40 DHAB FC(F)Oc1ccccc1OCc1nccn1CC(F)(F)F 95399069 ASOYEZQVGUIJPI-UHFFFAOYSA-N 322.233 3.626 0 40 DHAB CC(=O)c1csc(C(=O)Nc2ccc(F)cc2NC2CC2)c1 95427300 WKXWAZHIEQCOGW-UHFFFAOYSA-N 318.373 3.916 0 40 DHAB CC(C)(C)c1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1 95533465 UVNIZPJGGOHQTM-INIZCTEOSA-N 306.413 3.817 0 40 DHAB O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccncc1 95996665 CQKRZRJFROAKOS-UHFFFAOYSA-N 308.303 3.957 0 40 DHAB COc1ccc(OCCSCCCc2ccncc2)cc1 96010414 UHXPJKBUJAZTFB-UHFFFAOYSA-N 303.427 3.835 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1cccs1)c1ccc(C)s1 96104674 LYULIBZXLOPRAU-STMXVASLSA-N 307.440 3.635 0 40 DHAB CSC[C@@H]1CCN(C(=O)Nc2cccc(COC(C)C)c2)C1 96418021 LJPYRGUMTUSYBU-OAHLLOKOSA-N 322.474 3.828 0 40 DHAB Cc1cc(C)n(CC(=O)Nc2c(F)cc(Cl)cc2Cl)n1 97081438 QPRUHBUQEIPCGX-UHFFFAOYSA-N 316.163 3.585 0 40 DHAB CC(=O)Nc1nnc(SCc2c(F)cccc2Cl)s1 105361846 GKKASFGSNJIUON-UHFFFAOYSA-N 317.798 3.581 0 40 DHAB O=C(c1cscn1)N(CCC(F)(F)F)Cc1ccccc1 191939025 XCLMKRVQBDUOOZ-UHFFFAOYSA-N 314.332 3.738 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)C)cc1N1C[C@@H](C)C[C@H](C)C1 216865426 MJLXAJHXTJAJPX-STQMWFEESA-N 303.450 3.654 0 40 DHAB CNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 225474559 KMZLGKSQYIHEQJ-UHFFFAOYSA-N 310.184 3.679 0 40 DHAB CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)c1cccnc1C 333429109 JJDQSPUSFYZJPP-CQSZACIVSA-N 312.417 3.533 0 40 DHAB NC(=O)/C=C\c1ccc(OCc2ccccc2F)c(Cl)c1 409416206 GIRIBCLLQUMTDR-VURMDHGXSA-N 305.736 3.557 0 40 DHAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2c(C)coc2C)cc1 670801959 XZCDMHIJNNGZPY-WMZOPIPTSA-N 313.397 3.855 0 40 DHAB Cc1nccc([C@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)n1 1848353862 ONZFJOHXHNXEHB-KRWDZBQOSA-N 306.413 3.646 0 40 DHAB Fc1ccccc1-c1nnn(-c2ccccc2)c1-n1cccc1 1889211671 GMDYREFPJDCAKW-UHFFFAOYSA-N 304.328 3.864 0 40 DHAB CC(C)(C)C1=N/C(=C/c2ccc(Br)cc2)C(=O)O1 3101577 HEWRZEANIBAKSS-DHZHZOJOSA-N 308.175 3.791 0 40 DHAB O=C(O)Cc1sc(NC2CCCC2)nc1-c1ccc(F)cc1 3330966 BAODMNFEGZWNEX-UHFFFAOYSA-N 320.389 3.931 0 40 DHAB Cc1cccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)c1 3892418 MVLPAXKBZMIDLV-UHFFFAOYSA-N 301.415 3.522 0 40 DHAB Cc1ccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1F 4062659 JNYLQISWHRQHCB-UHFFFAOYSA-N 324.355 3.756 0 40 DHAB CCC[C@H](C)[C@@]1(CC)C(=O)N=C(Nc2ccc(F)cc2)N=C1O 4339342 REOCKKDOWQLIIZ-NSHDSACASA-N 319.380 3.923 0 40 DHAB CCC(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 4510465 VKUQKWXJGUMNFU-UHFFFAOYSA-N 313.835 3.832 0 40 DHAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2)N3)C1 4555582 FJRPBKJDGNWZPX-OAHLLOKOSA-N 313.426 3.555 0 40 DHAB CC(=O)c1sc(NC(=O)C2CCC2)nc1-c1ccccc1 6235290 GJBGDCYLMZKFOK-UHFFFAOYSA-N 300.383 3.751 0 40 DHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC1CCCCC1 6284959 KUCXLTVQCVLNGY-LLVKDONJSA-N 310.825 3.598 0 40 DHAB O=C(Nc1ccc(C(=O)O)c(O)c1)Nc1cccc2ccccc12 6345319 YBFYNRGXTPAUAR-UHFFFAOYSA-N 322.320 3.888 0 40 DHAB COc1ccc(Sc2nc3ccccc3n3c(C)nnc23)cc1 6786280 DAHIPKKYILSPCU-UHFFFAOYSA-N 322.393 3.746 0 40 DHAB Cc1cc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)c(C)n1C1CC1 7125074 HXQWQLZBBARLNT-FPYGCLRLSA-N 324.380 3.820 0 40 DHAB Cn1ncc2c(Nc3ccccc3)nc(NC3CCCCC3)nc21 7448128 SASQUDZPSMQSHV-UHFFFAOYSA-N 322.416 3.852 0 40 DHAB CCOC(=O)CCC(=O)Nc1ccc2c(c1)-c1ccccc1C2 7961394 QSRILIBRVDVCKF-UHFFFAOYSA-N 309.365 3.540 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1 10785453 NJWBZKUFJFHMJD-UHFFFAOYSA-N 319.408 3.761 0 40 DHAB O=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)C1CC1 12233024 MTKYUGZANMXVDB-UHFFFAOYSA-N 311.366 3.814 0 40 DHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(F)cc1 12759811 QOLKNBLAOTWCRF-HNNXBMFYSA-N 313.328 3.532 0 40 DHAB Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1Cl 12786187 KMHAJOCGPKUSMU-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)c1ccccc1 12980924 YMYKGAIEDNDRNE-UHFFFAOYSA-N 305.381 3.766 0 40 DHAB Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1cccc2ccccc12 12981012 JQYRBGQNDARFCI-GFCCVEGCSA-N 307.397 3.681 0 40 DHAB CCOc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2)cc1 12982210 PRFCCADJJDMQKR-LJQANCHMSA-N 324.424 3.861 0 40 DHAB Cc1ccc(CSCC(=O)NCCCc2ccccc2)cc1 13649369 NQOHBNWUIRLNIB-UHFFFAOYSA-N 313.466 3.977 0 40 DHAB CC(C)N(Cc1ccccc1)Cn1nc2ccccn2c1=S 14231797 MDOSRLSRSZCMOB-UHFFFAOYSA-N 312.442 3.733 0 40 DHAB Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 14737966 BYBWXCBEMPTARO-UHFFFAOYSA-N 324.207 3.997 0 40 DHAB CN1C(=O)[C@@H](Cc2cccs2)c2cc(Br)ccc21 15017815 GQCKOIUCWSTREE-LBPRGKRZSA-N 322.227 3.813 0 40 DHAB COc1c(Br)cc2c(c1Br)CCCO2 16756666 HPNWTMXAPRXVGE-UHFFFAOYSA-N 321.996 3.545 0 40 DHAB Cc1nn(C)c(C)c1CN(C)Cc1cccc(C(F)(F)F)c1 17032282 XASSJSYHPVZVLX-UHFFFAOYSA-N 311.351 3.688 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1F 18014016 IFGUGMMEFMKGIM-ZDUSSCGKSA-N 301.361 3.942 0 40 DHAB CCOc1cccc(CNC(=O)c2ccccc2SC)c1 20489268 GADKOGPUPRRHPR-UHFFFAOYSA-N 301.411 3.737 0 40 DHAB COc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 23232855 DFWASWZAVMQRNV-JTQLQIEISA-N 302.296 3.501 0 40 DHAB Cc1nc(CC(=O)Nc2ccc(SC(F)F)cc2)cs1 27653524 UYBZGWVSSYPSFH-UHFFFAOYSA-N 314.382 3.947 0 40 DHAB c1ccc2c(c1)-c1nc3ccccc3cc1[C@H]2N1CCOCC1 31637929 GCVZMKPZSVQVNL-FQEVSTJZSA-N 302.377 3.637 0 40 DHAB in-vitro O=C(CCCc1nc2ccccc2o1)NCC1CCCCC1 31812404 QOHRZXUZJMTOFO-UHFFFAOYSA-N 300.402 3.847 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 32740567 HENXAFDDQCJAFW-UHFFFAOYSA-N 308.381 3.776 0 40 DHAB Clc1ccc2c(NCCCNc3ccccn3)ncnc2c1 32935579 RLZUPSRQPDIWHA-UHFFFAOYSA-N 313.792 3.592 0 40 DHAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@]1(C)CC1(Cl)Cl 36397968 LRGKZCJIFFWLJI-ZANVPECISA-N 320.647 3.971 0 40 DHAB CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 37619326 OSLLVFGCOKJNNK-RNCFNFMXSA-N 303.233 3.688 0 40 DHAB O=C(NCCOc1cccc(F)c1)Nc1ccccc1Cl 43146234 JHCZVGOSZXZSEZ-UHFFFAOYSA-N 308.740 3.680 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)c1cc2c(s1)CCCCC2 46407981 KVWOCOMOKXMNGB-UHFFFAOYSA-N 318.442 3.894 0 40 DHAB Cc1cc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)no1 58201936 OSQMPBDESNPKRZ-UHFFFAOYSA-N 324.384 3.876 0 40 DHAB Cc1nccn1-c1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cn1 58245503 INVMOEPXSAXJCH-GUYCJALGSA-N 322.412 3.582 0 40 DHAB Cc1cc(Cl)cc(Cl)c1CNC(=O)c1ccccc1O 59474622 SWVWCYQOZVRCJK-UHFFFAOYSA-N 310.180 3.937 0 40 DHAB COc1cccc(CSCc2csc(NC(C)=O)n2)c1 64375830 FZJGBSGGTYDRSJ-UHFFFAOYSA-N 308.428 3.544 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 69777266 DYAYXRCNHWQNLG-HNNXBMFYSA-N 301.386 3.659 0 40 DHAB COCCn1ccc2cc(NC(=O)N3CCC[C@@H](C)C3)ccc21 71803407 BGTIGWZQZAPJRK-CQSZACIVSA-N 315.417 3.552 0 40 DHAB Cc1cc(=O)[nH]cc1NC(=O)CSc1ccc2ccccc2c1 72312110 CHMKORDLJXFGGL-UHFFFAOYSA-N 324.405 3.567 0 40 DHAB Cc1cc(C)c2cc(CNc3ccc(N(C)C)cc3)c(=O)[nH]c2c1 72396075 SBQKVJGXQDXCAN-UHFFFAOYSA-N 321.424 3.823 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)[nH]c1=O 72448748 BKLFVYBTBSBAOL-UHFFFAOYSA-N 324.767 3.948 0 40 DHAB C[C@@H]1CCN(C(=O)CCCc2ccccn2)[C@@H](c2ccco2)C1 75389783 ZHFTYFBDCNZZJC-NVXWUHKLSA-N 312.413 3.997 0 40 DHAB Cc1nc(CSCc2csc(-c3ncccn3)n2)cs1 78555769 BRGDIYYFWFOPBY-UHFFFAOYSA-N 320.468 3.798 0 40 DHAB COCc1nc2cc(NCc3sc(C)nc3C)ccc2o1 80342997 ANYWCBVYCUZTJP-UHFFFAOYSA-N 303.387 3.660 0 40 DHAB CS[C@@H](C)CN[C@H](C)c1ccc(F)c(Br)c1 90726018 OEXZSQPHTPQBBX-DTWKUNHWSA-N 306.244 3.990 0 40 DHAB CC(=O)c1ccc(C(=O)Nc2ccc(-c3ccccn3)cn2)cc1 95447574 DFOHKCDKEHNMGU-UHFFFAOYSA-N 317.348 3.599 0 40 DHAB C[C@@H](C(=O)NC[C@H]1CCOc2ccccc21)c1cccs1 96413818 DJIWUGXNLSGTGD-CHWSQXEVSA-N 301.411 3.534 0 40 DHAB CCN(C)Cc1cccc(CNCC2=Cc3ccccc3OC2)c1 105449162 LQLXREGPQSPKAY-UHFFFAOYSA-N 322.452 3.704 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CN1Cc2ccccc2C1 155494189 NHYLRYFQKVXBTR-UHFFFAOYSA-N 300.789 3.603 0 40 DHAB c1ccc(-c2nccs2)c(OCCO[C@@H]2CCCCO2)c1 194720886 ASFVUNDYXWIUGL-OAHLLOKOSA-N 305.399 3.732 0 40 DHAB Cc1nc2sccn2c1-c1nnc(-c2ccccc2F)o1 216605804 HGZIPWUYZXPFOR-UHFFFAOYSA-N 300.318 3.560 0 40 DHAB Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1 222610982 HUIWWPNPVWRDGE-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB O=C(CCc1ccccc1F)NCCOc1ccccc1Cl 223453692 WMNXLMSSCNTBSK-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB COc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1Cl 225135091 CLYZLIHRXLZHFA-GFCCVEGCSA-N 303.789 3.882 0 40 DHAB O=C(NCCSC1CCCC1)c1ccc2c(c1)CCCC2 225636461 KOUCTYJOQBDPEV-UHFFFAOYSA-N 303.471 3.971 0 40 DHAB CN(C)c1ccc(N)cc1NC(=O)c1cccc(Cl)c1Cl 226261293 QSMHYEFRCAYLNG-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB Cc1cc(NC(=O)/C=C/c2ccccc2)cc2sc(NN)nc12 226314340 PLVUJSGNERIDCO-BQYQJAHWSA-N 324.409 3.542 0 40 DHAB Cc1ccc(CCC(=O)c2ccc(N3CCOCC3)cc2)cc1 228927577 XNZAFEHQZXXXKV-UHFFFAOYSA-N 309.409 3.647 0 40 DHAB CCC1(CC)CN(c2nc(-c3cccnc3)nc3c2CCC3)C1 555208729 ONHJLGZNSCUYCN-UHFFFAOYSA-N 308.429 3.654 0 40 DHAB Fc1ccc(C2(c3nc(-c4cscn4)no3)CCC2)c(F)c1 581466001 JEDZZYFEYVARDZ-UHFFFAOYSA-N 319.336 3.941 0 40 DHAB CCC(CC)n1ncc(C(=O)N[C@@H](C)c2ncccc2F)c1C 585088321 VRCIGRVESDPFGO-NSHDSACASA-N 318.396 3.578 0 40 DHAB CCCc1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 48541 QKNFWJQMHSXPGM-UHFFFAOYSA-N 311.381 3.859 0 40 DHAB Cc1ccc(-c2ccnc3c(Br)c(C)nn23)cc1 1403920 HDCUUSFKSLUQBY-UHFFFAOYSA-N 302.175 3.776 0 40 DHAB COc1cccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 2640620 UVZNBNGQWDAAEH-UHFFFAOYSA-N 324.207 3.861 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N(O)c1ccc(Cl)cc1 3176924 YNDBTTHWBGHMTK-UHFFFAOYSA-N 318.181 3.578 0 40 DHAB CC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 3516082 YLGSRAZUBQBWOG-UHFFFAOYSA-N 303.745 3.560 0 40 DHAB CC1=C2C[C@@H]3[C@@H](CNCC(C)C)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4028630 VKYWVRQVIMCGBD-FXRXJOCMSA-N 305.462 3.690 0 40 DHAB biogenic C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\N)CC[C@@]43C)[C@H]1CC/C2=N/N 4029083 PINUESXRWZTPOZ-UULDAUCQSA-N 314.477 3.579 0 40 DHAB biogenic Cc1cccc(CSc2nnc3ccc(-c4ccco4)nn23)c1 4376751 XUBWDTYJANADFP-UHFFFAOYSA-N 322.393 3.985 0 40 DHAB O=C1COc2ccc(-c3csc(-c4cccs4)n3)cc2N1 5156844 NHBNNOYCAZHUEG-UHFFFAOYSA-N 314.391 3.870 0 40 DHAB CCCC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5218244 CSFSBBSLGDYJQJ-YTQUADARSA-N 319.420 3.821 0 40 DHAB S=C(NNc1nc2ccccc2s1)Nc1ccccc1 5331821 OTSKLUAEZULBOJ-UHFFFAOYSA-N 300.412 3.610 0 40 DHAB S=C(Nc1ccccc1)N(C1=NCCS1)c1ccccc1 5338384 UVVLKMFMPQIRJH-UHFFFAOYSA-N 313.451 3.993 0 40 DHAB CCOc1ccccc1C(=O)OCC(=O)c1c[nH]c2ccccc12 6539772 JFIURZDMAUWZTF-UHFFFAOYSA-N 323.348 3.606 0 40 DHAB CC(C)CSc1nc(-c2ccc(Br)cc2)n[nH]1 6887636 SNBKTQYGNJYWNM-UHFFFAOYSA-N 312.236 3.982 0 40 DHAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)c1c[nH]c2ccccc12 7289837 ZKCOGBOZIXGNOW-VIFPVBQESA-N 313.382 3.792 0 40 DHAB C[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 8746340 VOORZJTUKAMZSN-LLVKDONJSA-N 303.793 3.602 0 40 DHAB CC[C@H](Nc1ccc(C(C)C)cc1)C(=O)Nc1cc(C)on1 8780299 OYJQHANHGALEOJ-HNNXBMFYSA-N 301.390 3.936 0 40 DHAB CSCc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 9154250 DEXMOJUEFSXJAJ-UHFFFAOYSA-N 314.410 3.760 0 40 DHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=S)N(CCC(C)C)N1 9189227 VESYJMSGLPRNOK-OAHLLOKOSA-N 311.882 3.644 0 40 DHAB CC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1 9363929 KVJPEWNYYOYKOU-UHFFFAOYSA-N 316.788 3.571 0 40 DHAB COc1ccc2c(c1)c1ncnc(N3C[C@@H](C)C[C@@H](C)C3)c1n2C 13806232 WUWTVBLBTCIWLU-BETUJISGSA-N 324.428 3.612 0 40 DHAB COc1ccc(CC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 14122059 BKBBSKRJBLGKDB-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB COc1cccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 17069946 WGZUPHWFCFWQAN-LBPRGKRZSA-N 318.804 3.909 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccc(F)cc3)c2c1 20100128 ASCDBNTVRHZMQL-WEVVVXLNSA-N 322.383 3.988 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC(C)C)c12 23103348 KDZNANWMMIGQQJ-NSHDSACASA-N 315.417 3.915 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 25336162 ZKSORLHLZKILFB-GFCCVEGCSA-N 319.788 3.892 0 40 DHAB O=C(CN1CCC[C@H]1Cc1ccccc1)NC1CCCCCC1 25358813 OHERQEICSXBKTG-IBGZPJMESA-N 314.473 3.533 0 40 DHAB CC[C@@H](C)NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 28229297 RSLTVHRQUPVUKI-CYBMUJFWSA-N 313.397 3.876 0 40 DHAB Cc1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)n1 31215662 WMPOJJDIJXNQKZ-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB Cc1ccc(-c2nc(CC(=O)N3CCc4ccccc43)cs2)o1 32815770 QZMDEVBJITYKCQ-UHFFFAOYSA-N 324.405 3.843 0 40 DHAB COc1cccc2c1N(C(=O)Cc1c[nH]c3ccccc13)CCC2 32827412 JBSFLENMQKWBOR-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB CCc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1 36635405 IPVDNZKVGPNAQK-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB Cc1cc(Br)c2nsnc2c1Br 38885706 IYRMTTBJJGMXER-UHFFFAOYSA-N 307.998 3.525 0 40 DHAB CN(Cc1cccs1)C(=O)CSc1ccc(F)c(F)c1 39979561 GPVHORGUSMJWQD-UHFFFAOYSA-N 313.394 3.777 0 40 DHAB COc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 40103468 CONHETOMZHDSKO-WCQYABFASA-N 306.406 3.712 0 40 DHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)C[C@@H]1C=CCC1 40108487 WDYHRMDSDNDQSU-CHWSQXEVSA-N 322.246 3.853 0 40 DHAB CCOc1ccc(Cl)cc1NC(=O)c1cccc(N)c1C 40308042 DFLPZBVGILFOPC-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB CC(C)c1ccc2oc(-c3ccc(-n4cnnc4)cc3O)nc2c1 45920461 VASCSWMDXWHCFL-UHFFFAOYSA-N 320.352 3.905 0 40 DHAB CC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2F)c1 49915815 MSNGJVUXNKVFFW-UHFFFAOYSA-N 305.736 3.863 0 40 DHAB C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@@H](C)O1 54675191 AXOXDGJSSWQIOC-AOOOYVTPSA-N 324.833 3.646 0 40 DHAB Cc1ccc(CNCc2c(C)nn(C)c2Oc2ccccc2)cn1 58297556 LLRNBBWSFFLWLB-UHFFFAOYSA-N 322.412 3.514 0 40 DHAB O=C(c1cccc2ccccc12)N1CCN=C1Cc1ccccc1 59445382 JGCZOVFTYVPYSQ-UHFFFAOYSA-N 314.388 3.937 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cl)cc1 65720000 ZLTJMCMUYNXFLZ-ZDUSSCGKSA-N 303.789 3.846 0 40 DHAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(F)c(Cl)c3)n2c1 71459161 ZXWVGKFRHQBTKO-UHFFFAOYSA-N 317.751 3.996 0 40 DHAB CCn1nc(C)c2nc(C(C)C)nc(N(C)Cc3ccco3)c21 72238318 DKNUIQHAXBUSTK-UHFFFAOYSA-N 313.405 3.507 0 40 DHAB Cc1cc(NC2CCC(O)CC2)c2cc(OC(F)F)ccc2n1 77165129 NATLUXDESUIJEJ-UHFFFAOYSA-N 322.355 3.860 0 40 DHAB CSCC(=O)Nc1ccc(OCc2nc(C)c(C)s2)cc1 88512263 DJVVPVNNOZATBV-UHFFFAOYSA-N 322.455 3.640 0 40 DHAB Cc1ccc2c(c1)[C@H](N[C@H](C)c1nnc3ccccn13)CCCO2 89511348 XCECHDUKHFCYOY-GDBMZVCRSA-N 322.412 3.602 0 40 DHAB CN(C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21)C1CCC1 95411629 DTCZOYXPHVEPFY-OAHLLOKOSA-N 300.402 3.627 0 40 DHAB O=C(Nc1ccc(Cl)cc1Br)c1ccncc1 95418893 ZIXNXVZLEZHTER-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB OC1=Nc2ncn(-c3ccccc3)c2[C@H](C(F)(F)F)SC1 95472624 DFIYOUKQKSVAGQ-LLVKDONJSA-N 313.304 3.811 0 40 DHAB Cc1nc(C)c(-c2nn3c(-c4ccsc4)nnc3s2)s1 95478226 HNHNUISOVIDZAW-UHFFFAOYSA-N 319.440 3.655 0 40 DHAB CNc1snc(C)c1C(=O)N1CCC[C@@H](CCC(C)C)C1 95966288 DDOOOXKONOLDDG-ZDUSSCGKSA-N 309.479 3.782 0 40 DHAB CCC(CC)[C@H]1C[C@H](NC(=O)c2cc(C(C)C)no2)CCO1 95994006 BREFPWNBMFRLEH-UKRRQHHQSA-N 308.422 3.512 0 40 DHAB Cc1ccc(C[C@@H](C)NC(=O)N(C)[C@@H](C)c2ccncc2)s1 96415586 OEFDHVXMDRNHFK-OCCSQVGLSA-N 317.458 3.785 0 40 DHAB Cc1nc2ccccn2c1CSc1nnc(OC(C)C)s1 96424882 XMRMYOFXSZSPPE-UHFFFAOYSA-N 320.443 3.574 0 40 DHAB CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(COC)c2)C1 96466355 RSDPBNOHKNJPHX-JKSUJKDBSA-N 322.474 3.971 0 40 DHAB Cc1ccc(N2C(=O)C[C@@H](Nc3c(C)cc(C)cc3C)C2=O)cc1 101275123 GLKVXUDSLVNHMO-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2 104187972 AIPSAOYIRLSEMX-UHFFFAOYSA-N 304.267 3.962 0 40 DHAB C[C@@H]1C2=C([C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]13)[C@H]1C=C[C@H]2C1 104295444 NLYVLLZNYMZTKX-QAOOWLJSSA-N 319.404 3.581 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@@H]2O 118925842 QBAHMYSNLVHPJQ-NGUVMQQOSA-N 308.437 3.907 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224115523 PSUHCKSEZVJBEG-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CCOc1ccccc1NC(=O)CCc1ccc(OC)c(C)c1 225238255 DUGFAYLJGPUMIF-UHFFFAOYSA-N 313.397 3.974 0 40 DHAB COC(=O)C[C@H](Cc1nc2ccccc2s1)C(F)(F)F 256052789 ORFHKMRGJYAFJV-QMMMGPOBSA-N 303.305 3.580 0 40 DHAB CCCSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 409100931 XINFQTUNQMPWTB-UHFFFAOYSA-N 314.389 3.971 0 40 DHAB O=C1N/C(=C/c2ccccc2F)C(=O)N1c1ccc(Cl)cc1 409246297 ANETZQUQCZEZPY-NTEUORMPSA-N 316.719 3.576 0 40 DHAB Cc1c(C(=O)O)csc1-c1cccc(CO[C@H]2CCOC2)c1 581499997 ZZJDVQPGCSYFMZ-AWEZNQCLSA-N 318.394 3.727 0 40 DHAB C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1ccns1 585116886 LKYQIZQMUALEEV-VIFPVBQESA-N 306.822 3.866 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)NC(C)(C)C(F)(F)F 585119616 NFHSFUAGYCUXRF-UHFFFAOYSA-N 314.760 3.884 0 40 DHAB Cc1cc(OCC2CCN(c3ccc(Cl)cn3)CC2)ccn1 1775995882 MCJARIWAQIYNBY-UHFFFAOYSA-N 317.820 3.734 0 40 DHAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCC2 38696 BRAOKWHYWLUEBV-UHFFFAOYSA-N 315.394 3.584 0 40 DHAB COc1cccc2sc(NCC(=O)c3ccc(F)cc3)nc12 151661 SMKGMHJOHSFJIG-UHFFFAOYSA-N 316.357 3.739 0 40 DHAB Oc1ccccc1-c1nc(N2CCCCC2)c2ccccc2n1 546347 GRIPKBAHDMOGNK-UHFFFAOYSA-N 305.381 3.993 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(C)c1C 574320 BXTKEYUPPTXBJK-VAWYXSNFSA-N 311.381 3.973 0 40 DHAB Cc1cc(C)n2ncc(C(=O)Nc3cccc(Cl)c3C)c2n1 820979 BZFBYLNPRBAMAV-UHFFFAOYSA-N 314.776 3.560 0 40 DHAB COC(=O)c1ccc(CSc2ncnc3ccccc23)cc1 3251868 AJESGJIWNHDOMN-UHFFFAOYSA-N 310.378 3.709 0 40 DHAB CC(=O)c1ccccc1NC(=O)CC1(CC(=O)O)CCCCC1 3310676 YFBHYEUYZZIBSA-UHFFFAOYSA-N 317.385 3.643 0 40 DHAB O=C(O[C@@H]1CCCC1=O)c1cc(-c2ccco2)nc2ccccc12 3559623 QTISBPWOVWJJHX-GOSISDBHSA-N 321.332 3.773 0 40 DHAB CC(=O)c1cccc(NC(=O)COc2cccc(Cl)c2)c1 3603971 OAECKPHZGNPHJG-UHFFFAOYSA-N 303.745 3.560 0 40 DHAB CCSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2 3653298 ZVYHASNVVOEEEY-UHFFFAOYSA-N 314.414 3.725 0 40 DHAB biogenic Cc1ccc2cccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)c2n1 5198693 DWCSZDGVETVGSZ-HUUCEWRRSA-N 312.413 3.712 0 40 DHAB O=S(=O)(C/C=C/CC(Cl)(Cl)Cl)c1ccccc1 5604137 CXYGKHVTSLZNLO-SNAWJCMRSA-N 313.633 3.777 0 40 DHAB Cc1ccccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 5748291 PDZQFAZXTUVHRT-XNTDXEJSSA-N 312.756 3.746 0 40 DHAB COc1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1 6337629 MBAGGYQDHIAUEB-UHFFFAOYSA-N 309.365 3.722 0 40 DHAB CCCN(CCC)C[C@@H](O)CO[C@H]1CCCc2ccccc21 6937394 KMRCGKPATBIVGO-MJGOQNOKSA-N 305.462 3.564 0 40 DHAB COc1cccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@H]23)c1OC 6954823 CYPANVOZDRECOC-JLSDUUJJSA-N 311.381 3.948 0 40 DHAB Cc1ccc(NC(=O)CN2CCc3ccccc32)c(Cl)c1 7600857 KANOEKPUHHQAKC-UHFFFAOYSA-N 300.789 3.650 0 40 DHAB CCOc1ccc2nc(NC(=O)CCc3ccco3)sc2c1 7768417 XNKMTNHJEYBRDS-UHFFFAOYSA-N 316.382 3.859 0 40 DHAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2OC)cc1 7790471 RDKOWZPEMKPXKL-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB CN(C)CCn1c2ccccc2n2cc(-c3ccc(F)cc3)nc12 8468296 MKZPCFFREGVOHC-UHFFFAOYSA-N 322.387 3.657 0 40 DHAB CC(=O)c1sc(N)c(C(=O)Nc2cc(C)cc(C)c2)c1C 8549053 CKUJCOHMDHRGGH-UHFFFAOYSA-N 302.399 3.710 0 40 DHAB Cc1ccc(Cc2c(O)nc3nc4ccccc4n3c2C)cc1 9009568 XPRAXQKWPKAYOI-UHFFFAOYSA-N 303.365 3.796 0 40 DHAB Cc1nn(-c2nc3ccccc3o2)c(O)c1CCc1ccccc1 9938090 QNYNYRVKTPPJNO-UHFFFAOYSA-N 319.364 3.813 0 40 DHAB Cc1c(C)n(C[C@@H](O)CN2CCCCCC2)c2ccc(F)cc12 12422002 ZJSGOLHUUGGVCI-KRWDZBQOSA-N 318.436 3.634 0 40 DHAB CSc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1 12757881 KWSLIFLYJZSLTR-UHFFFAOYSA-N 309.394 3.847 0 40 DHAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C)cc1 12988073 GENCGURKRBPYER-HNNXBMFYSA-N 321.467 3.755 0 40 DHAB COCCCNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 20895910 YSZUNNNJEMOLQP-CYBMUJFWSA-N 309.475 3.665 0 40 DHAB COc1ccc(CN(C)c2nc3ccccc3s2)cc1OC 25370424 FISOQYXLBMKFAE-UHFFFAOYSA-N 314.410 3.950 0 40 DHAB COc1cccc(-n2ccnc2SCC(=O)c2ccccc2)c1 26044829 KJMHIGLRHSVIFR-UHFFFAOYSA-N 324.405 3.856 0 40 DHAB CC(C)c1cc(C(N)=O)c(NC(=O)CCc2ccccc2)s1 27925739 HBOXJZFEZICVAO-UHFFFAOYSA-N 316.426 3.542 0 40 DHAB C[C@H](c1cccs1)N(C)Cc1nc(O)c2sccc2n1 36378408 FRRHVUCHVYJVNQ-SECBINFHSA-N 305.428 3.651 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 36738471 WAPMYRBNXPRGGK-UHFFFAOYSA-N 319.202 3.846 0 40 DHAB CCOc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 40525404 KSBWYZROPHJLFX-NSHDSACASA-N 316.323 3.892 0 40 DHAB CCCCCCNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 45125300 QYJSKOFSMDQNFH-ZDUSSCGKSA-N 305.422 3.586 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2noc(C(C)(C)C)n2)o1 48302900 FVOMCYOBYSTLAV-DGCLKSJQSA-N 303.406 3.716 0 40 DHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[C@H]2C=CCC2)c1 48331732 UFYLLASLAFWIGI-CABCVRRESA-N 314.429 3.644 0 40 DHAB CC(C)CCN1C(=O)c2ccccc2[C@@H](C(=O)O)C12CCCC2 49467042 YAOLAYJSEKDYST-INIZCTEOSA-N 315.413 3.670 0 40 DHAB Cc1cn(CC(=O)N(C)[C@H](C)c2ccncc2)c2ccccc12 50355276 UQFRWRCPSIZRHD-OAHLLOKOSA-N 307.397 3.564 0 40 DHAB Cn1cccc1CN(C(=O)c1ccc(F)cc1Cl)C1CC1 62018261 MOSYOSFWLIFOEZ-UHFFFAOYSA-N 306.768 3.622 0 40 DHAB Fc1ccccc1-c1noc(Cc2nnc(-c3ccccc3)o2)n1 65185337 XSFUXFCKHHCUPG-UHFFFAOYSA-N 322.299 3.517 0 40 DHAB CC(C)n1nccc1NC(=O)CCCC(=O)c1ccc(F)cc1 68234661 SNZWVOKEBIWMBA-UHFFFAOYSA-N 317.364 3.595 0 40 DHAB C[C@H](c1nc(C2CC2)no1)N1CCc2[nH]c3ccccc3c2C1 69930499 USOQXUBCHOCLNL-LLVKDONJSA-N 308.385 3.548 0 40 DHAB Cc1noc(C)c1[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12 70953733 RTONLYRCKQKHAM-LLVKDONJSA-N 311.385 3.583 0 40 DHAB O=C(Nc1cccc2[nH]ccc12)N[C@@H]1CCOc2ccccc21 71803382 CZKUIQIUCXRPPU-MRXNPFEDSA-N 307.353 3.813 0 40 DHAB CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)c1cccc[n+]1[O-] 75105478 BUUPBOCPYQYQIN-SFHVURJKSA-N 324.424 3.541 0 40 DHAB O=C(CCc1ccnc2ccccc12)OCCCc1cccnc1 78170699 ONRLUMOBKWAEIO-UHFFFAOYSA-N 320.392 3.738 0 40 DHAB Nc1ccc(-c2nc(-c3ccccc3OC(F)F)no2)cc1 89262412 LIVTTYKNTMLZIZ-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB Cc1cc(C)c2c(c1)N(C(=O)C1C[C@@H](C)O[C@H](C)C1)CCC2 94099710 SGGKMPSPZMPLHK-HUUCEWRRSA-N 301.430 3.786 0 40 DHAB CCCOc1c(C)cc(-c2noc([C@@H]3CCCCN3)n2)cc1C 95095399 KLGGHIGXDYLJET-HNNXBMFYSA-N 315.417 3.957 0 40 DHAB C[C@@H](NCCCc1nc2c(s1)CCCC2)c1cncc(F)c1 95421701 SMSYHPZVZHSWII-GFCCVEGCSA-N 319.449 3.839 0 40 DHAB CCOc1ccc(NC(=O)NCc2ccncc2CC)c(C)c1 95466223 HIJBILXJHVXWNK-UHFFFAOYSA-N 313.401 3.673 0 40 DHAB CC(C)(C)OC(=O)N1CCN[C@H](c2cccc3ccccc23)C1 95752314 QHZMWAONXYUNDQ-KRWDZBQOSA-N 312.413 3.721 0 40 DHAB CC(C)C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccccn1 95968342 KBCQHUNGCXEDIW-DLBZAZTESA-N 304.459 3.728 0 40 DHAB COc1ccc(CNc2nc(-c3ccsc3)ns2)cc1 95990349 WOZMKTDDVWIMNZ-UHFFFAOYSA-N 303.412 3.887 0 40 DHAB CN(c1ccccc1)c1ccc2ccc(C(=O)N3CCCC3)cn12 96264119 LYYJHABSWDWUKE-UHFFFAOYSA-N 319.408 3.943 0 40 DHAB COc1c(Cl)cccc1NCc1nccn1CC(F)(F)F 96427463 YNZGXLOMBCFBTP-UHFFFAOYSA-N 319.714 3.720 0 40 DHAB C[C@@H](Nc1ccc(CCS(C)(=O)=O)cc1)c1ccc(F)cc1 97232319 TWVIFLVXVLFAOU-CYBMUJFWSA-N 321.417 3.586 0 40 DHAB COc1ccc(CSCC(=O)Nc2cccc(OC)c2)cc1 113935272 RSOHEIQAAVMYLN-UHFFFAOYSA-N 317.410 3.576 0 40 DHAB COc1ccc([C@H](C)NC(=O)Cc2ccccc2Cl)cc1 139680409 AJUAMALYYMMUHV-LBPRGKRZSA-N 303.789 3.769 0 40 DHAB c1ccc(-c2nccs2)c(OCCO[C@H]2CCCCO2)c1 194720902 ASFVUNDYXWIUGL-HNNXBMFYSA-N 305.399 3.732 0 40 DHAB CC(C)Oc1ccccc1C(=O)NCCSc1ccccc1 219731286 SGBHJNOMNPCZNP-UHFFFAOYSA-N 315.438 3.996 0 40 DHAB Cc1nc(NC(=S)NC(C)C)c(Cl)cc1Br 223873277 ODDPVPOYVNGCAB-UHFFFAOYSA-N 322.659 3.501 0 40 DHAB CCNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1C 225472630 OZXLNHWFOFCHNI-UHFFFAOYSA-N 303.793 3.724 0 40 DHAB C[C@H]1C[C@@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)CC(C)(C)C1 255189406 PQDWJCQALFHMLQ-JGVFFNPUSA-N 304.221 3.661 0 40 DHAB Cc1nc2ccc(NC(=O)N(C(C)C)C(C)C)cc2nc1C 408977237 HUYZFOFKAUIDGC-UHFFFAOYSA-N 300.406 3.897 0 40 DHAB COc1ccc2oc(C(=O)Nc3ccc(C(C)=O)cc3)cc2c1 409183974 HGWPWFGHBJFMDE-UHFFFAOYSA-N 309.321 3.896 0 40 DHAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(Cl)c1 511893704 PBYOPLZCXYXWGO-MRXNPFEDSA-N 321.829 3.614 0 40 DHAB Cc1ccc(S[C@@H](C)c2nc(Cc3cncn3C)no2)cc1 545135528 PJYDHYGELMORPN-LBPRGKRZSA-N 314.414 3.556 0 40 DHAB Fc1ccc(CN2CCC[C@H](COc3nccs3)C2)cc1F 2298206636 BYLKVXKDCPNLTA-ZDUSSCGKSA-N 324.396 3.712 0 40 DHAB COc1ccc(-c2nnc3ccc4ccccc4n23)cc1OC 78460 OUVLPUMZRFVMFO-UHFFFAOYSA-N 305.337 3.567 0 40 DHAB Fc1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 221832 JCBBNHRCHPMKOX-QWHCGFSZSA-N 300.362 3.625 0 40 DHAB COc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)c1 1620498 DWZSCRKWOLCKGR-UHFFFAOYSA-N 324.332 3.784 0 40 DHAB CN(C)[C@@H]1c2ccccc2-c2ccc(NC(=O)C(F)(F)F)cc21 1662432 NQIVGJNQMGRQER-OAHLLOKOSA-N 320.314 3.819 0 40 DHAB COC(=O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 1855624 FBSPLRDIDLJAFT-UHFFFAOYSA-N 306.405 3.676 0 40 DHAB CCCCc1nc2ccccc2n1C(=O)c1ccccc1C(=O)O 2666077 YXZADPWPIUBMMD-UHFFFAOYSA-N 322.364 3.766 0 40 DHAB CC(C)n1c(CCNC(=O)c2ccccc2)nc2ccccc21 2721404 JWDVKHRBXJQJCG-UHFFFAOYSA-N 307.397 3.590 0 40 DHAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 3606647 UGMUEEXGAXJLFE-CQSZACIVSA-N 301.361 3.699 0 40 DHAB Cc1cc(OCC(=O)NCCc2ccc(F)cc2)ccc1Cl 3613432 YTUDRHPSMKJAQD-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C 3999250 ARHZHRUTGKCDRK-LXWRTIBQSA-N 315.457 3.651 0 40 DHAB CCC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@@H]2[C@@H]1c1ccco1 4555197 OFOXTMOYXZXIJT-NXOUGTEYSA-N 315.344 3.994 0 40 DHAB COc1ccc(-c2csc(-n3nc4c(c3C)CCC4)n2)cc1 5274971 DYMUETQWIPXGQJ-UHFFFAOYSA-N 311.410 3.802 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6741892 WIGFLPLDFXLMGI-VRKREXBASA-N 315.413 3.804 0 40 DHAB Cc1ccc(Sc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 6936776 PBAXWCRWZPGDHD-UHFFFAOYSA-N 321.467 3.705 0 40 DHAB COc1ccccc1-c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 7736085 GORVAZHBDPXDIE-UHFFFAOYSA-N 324.361 3.920 0 40 DHAB Cc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2C)c1C 7878252 LMZCBIBDFWDLTM-AWEZNQCLSA-N 314.454 3.923 0 40 DHAB Cc1nc(NCCN(C)C)c2c(-c3ccccc3)csc2n1 8147782 UQVRSYLYYJOQTK-UHFFFAOYSA-N 312.442 3.640 0 40 DHAB Cc1ccc(N2C(=O)c3ccccc3N[C@]23CCSC3)cc1 8427680 OOWQLPMLRKDDSG-GOSISDBHSA-N 310.422 3.901 0 40 DHAB COc1ccc2nc(C)c(CN3CCCC[C@@H]3C)c(O)c2c1 8700906 KPVOCIDZKIFLAP-LBPRGKRZSA-N 300.402 3.632 0 40 DHAB Cc1cccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)c1 8869610 CBHLPMRLQDSVJG-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB Cc1[nH]c2ccccc2c1C1=NN=C(NCc2ccco2)SC1 8987604 PTHQOBKVTVYULK-UHFFFAOYSA-N 324.409 3.666 0 40 DHAB CC(C)CCNC(=O)c1cccc(NC(=O)c2cccs2)c1 9049932 OQVRXDVEOQDWGK-UHFFFAOYSA-N 316.426 3.776 0 40 DHAB O=c1[nH]c(CSCc2ccc(F)cc2)nc2ccsc12 9585645 YYMJUECGYPUANZ-UHFFFAOYSA-N 306.387 3.557 0 40 DHAB COC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 10457720 WJLDQYRCXZGVBW-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB O=C(O)c1ccc2cc(Br)cc(C(F)(F)F)c2n1 11804105 IOGSASQOVKPTGO-UHFFFAOYSA-N 320.064 3.714 0 40 DHAB CCOc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 12062455 QTDSJQHOTHIKEB-NSHDSACASA-N 316.426 3.919 0 40 DHAB O=C(Nc1ccncc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12549287 SMOXGULRCGHGRM-YHWZYXNKSA-N 320.483 3.633 0 40 DHAB CCOc1ccccc1N[C@@H](C)C(=O)Nc1cc(F)ccc1F 12606506 PJDQZKOBKHJXGQ-NSHDSACASA-N 320.339 3.803 0 40 DHAB COc1ccccc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1 14140071 WCLHQCSOAUPYGV-VAWYXSNFSA-N 319.364 3.533 0 40 DHAB C[C@H](CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 15176485 KSYKRCJQEWSZJR-OAHLLOKOSA-N 322.408 3.946 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 15331119 PGZLVBCAAYPOEY-NSHDSACASA-N 307.752 3.563 0 40 DHAB CCCCNC(=O)C1=Cc2cc(Br)ccc2OC=C1 15838653 MYJFEXHSMGNRAP-UHFFFAOYSA-N 322.202 3.655 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)cc1 17907979 OCGSVNBYJZYIME-NSHDSACASA-N 316.788 3.789 0 40 DHAB C[C@@H](Cc1ccccc1)NN1CCO[C@H](c2ccccc2)[C@H]1C 19170577 KBRSLPYGHGQKNS-QKLQHJQFSA-N 310.441 3.584 0 40 DHAB O=C(c1ccccc1F)N1CCC(c2cc3ncccc3[nH]2)CC1 19347480 AHPFHGHLPDQGAZ-UHFFFAOYSA-N 323.371 3.722 0 40 DHAB Cc1ccc2c(CN3CCc4ccccc4C3)cc(=O)oc2c1C 21821799 JKCQBBHHMYPVBW-UHFFFAOYSA-N 319.404 3.968 0 40 DHAB Brc1ccc2c(c1)CN[C@H](Cc1ccccc1)CN2 22006161 YWBSWMDDCHWDDE-OAHLLOKOSA-N 317.230 3.576 0 40 DHAB Cc1cccc(Cn2cc(NC(=O)CCc3ccccc3)cn2)c1 28574425 USUJMRRHKLQHKT-UHFFFAOYSA-N 319.408 3.811 0 40 DHAB Cc1noc2ncc(C(=O)Nc3ccc(C)c4ncccc34)cc12 31085028 FLNUITWTQLBJJE-UHFFFAOYSA-N 318.336 3.640 0 40 DHAB Cc1ccc(-c2nc(C(=O)Nc3cccc4cn[nH]c34)cs2)o1 31277076 BQZNWRMACPPKPA-UHFFFAOYSA-N 324.365 3.840 0 40 DHAB CCCCCn1c(SCC(=O)NCCC)nc2ccccc21 32910719 YFILCQVESVZLGK-UHFFFAOYSA-N 319.474 3.845 0 40 DHAB O=C(c1cc(-c2ccccc2)no1)N1CCc2ccccc2C1 32913603 RLYRXZWBJTXQCE-UHFFFAOYSA-N 304.349 3.540 0 40 DHAB CCOC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 40049528 NVXJNSIJVMBRGZ-SWLSCSKDSA-N 304.390 3.564 0 40 DHAB Cc1cc(O[C@@H]2CCCNC2)c(Br)c(C)c1Cl 42774435 BYPOTIALBSDIMO-SNVBAGLBSA-N 318.642 3.850 0 40 DHAB C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1ccccn1 45560718 QTNUVJXDQKVHEB-SNVBAGLBSA-N 309.822 3.699 0 40 DHAB CCN(Cc1noc(CC(C)C)n1)Cc1ccccc1Cl 45943463 AZDKFGHZSAOPPT-UHFFFAOYSA-N 307.825 3.944 0 40 DHAB Cc1cc(NC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)no1 47968821 SEPQVSYJBZLOAB-HZMBPMFUSA-N 315.373 3.896 0 40 DHAB OCCC[C@@H]1CCCN1Cc1cc2ccccc2nc1Cl 52759526 AFDLODLWSPKQBW-HNNXBMFYSA-N 304.821 3.625 0 40 DHAB Cc1cc(C)n(C(=O)c2sc(Nc3ccccc3)nc2C)n1 57352033 QQCRMTKGZNBXFK-UHFFFAOYSA-N 312.398 3.697 0 40 DHAB Cc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)no1 70013125 XRCCOXBJHULHND-NSHDSACASA-N 317.242 3.547 0 40 DHAB CN(C(=O)Cc1cccs1)[C@H](Cc1ccccn1)C(C)(C)C 72306469 RTXZOAOAGRQSBI-MRXNPFEDSA-N 316.470 3.801 0 40 DHAB O=C(N[C@@H]1CCc2ccccc21)c1cn[nH]c1-c1cccs1 72329481 CYSSRIBUEWPUGN-CQSZACIVSA-N 309.394 3.556 0 40 DHAB C[C@@H]1CCCN(Cc2c(C3CCOCC3)[nH]c3ncccc23)C1 72394986 LWZTVQRWNSRHCH-CQSZACIVSA-N 313.445 3.689 0 40 DHAB CC(C)(C)[C@@H](O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1 75157880 WGJDDAPQVZROIL-LBPRGKRZSA-N 318.339 3.624 0 40 DHAB Cc1ccc([C@H]2CCCCN2C(=O)NC2CCC(O)CC2)cc1 78932874 QYIOCUVRSVFDTI-DAWZGUTISA-N 316.445 3.535 0 40 DHAB CC[C@@H](O)CCCNC(=O)c1ccc2c(c1)Cc1ccccc1-2 84727836 DPDWUGJUSLAYGF-QGZVFWFLSA-N 309.409 3.539 0 40 DHAB O=C(Cc1cccc(F)c1F)N1CC[C@H](c2ccccc2)C1 87209906 RZTOJYNAWPILPM-HNNXBMFYSA-N 301.336 3.523 0 40 DHAB Cc1nc2n(n1)CCC[C@H]2N[C@@H]1C[C@H](C)Sc2sccc21 90227308 YLAKEFZLIBJFOP-ZWKOPEQDSA-N 320.487 3.698 0 40 DHAB Cc1ccnc(N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 95960463 WSUPEQKLRYLVBW-QGZVFWFLSA-N 318.380 3.577 0 40 DHAB CC(C)(C(=O)O)c1ccc(NC(=O)CCc2ccsc2)cc1 95970783 ASJHZQGJZVOSOG-UHFFFAOYSA-N 317.410 3.682 0 40 DHAB CCS[C@@H]1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 95979108 IQKCPKRVDUUXCB-QWHCGFSZSA-N 309.479 3.588 0 40 DHAB C[C@@H](NC(=O)Cn1ccnc1-c1cccs1)c1cccs1 97037384 VVRZKFKHVGLGSG-LLVKDONJSA-N 317.439 3.551 0 40 DHAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)[C@H]1C[C@H]2C=C[C@H]1C2 102139182 WSELXBZFBBNEEL-OBJOEFQTSA-N 318.367 3.716 0 40 DHAB Cc1ccc(C2=C[C@H](c3ccc(F)cc3F)n3ncnc3N2)cc1 102319960 KIOCQRSBAFDZKK-QGZVFWFLSA-N 324.334 3.921 0 40 DHAB Cc1cnc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C2CC2)s1 106931723 JZKSVSIWHJJTRL-ARFHVFGLSA-N 312.438 3.823 0 40 DHAB CC(C)c1nnc(COc2ccccc2-c2nccs2)o1 187217883 MEPJKBWMOHWAMY-UHFFFAOYSA-N 301.371 3.896 0 40 DHAB O=C(Cc1ccsc1)NCc1cncc(-c2ccsc2)c1 206948218 YDNQYAMCVSGFHA-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB O=c1c2ccccc2cnn1-c1nc2ccc(Cl)cc2s1 216736298 GZUWQBDROGYQAJ-UHFFFAOYSA-N 313.769 3.649 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(F)cc1 222860609 UTOCCYUVJKIFMT-GOSISDBHSA-N 315.388 3.732 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccco1 223074565 SQUVLYGGPCFXQE-SFHVURJKSA-N 313.397 3.632 0 40 DHAB O=C(/C=C/c1ccsc1)NCC[C@@H](O)c1cccc(Cl)c1 225609954 ORSNMQKXCAHYSV-MBVDDHJVSA-N 321.829 3.655 0 40 DHAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c(C)n1 225900244 ZBSBKBCTQSHWHH-FZKQIMNGSA-N 320.433 3.713 0 40 DHAB CCc1ccc(OCC(=O)Nc2c(N)cccc2Cl)cc1 226359077 CBUUKYJUMJMJNW-UHFFFAOYSA-N 304.777 3.502 0 40 DHAB COCCN(C)c1ccc(CNc2ccc3occc3c2)cn1 585136965 AOEBOSLIIZCALL-UHFFFAOYSA-N 311.385 3.523 0 40 DHAB COc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 29245 WDGBGUKPYZAYPQ-UHFFFAOYSA-N 318.376 3.937 0 40 DHAB O=C(CN1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl 126204 QVXLXBKHZVAWIJ-UHFFFAOYSA-N 320.742 3.783 0 40 DHAB CC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1C 200823 INOHDTFKLDHVBV-CQSZACIVSA-N 307.397 3.590 0 40 DHAB COc1cc2[nH]c(=S)nc(NCc3ccco3)c2cc1OC 429297 RJSQEFBWTUXUFV-UHFFFAOYSA-N 317.370 3.515 0 40 DHAB COc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 463515 ZCUUINQLLLHEDF-UHFFFAOYSA-N 320.772 3.950 0 40 DHAB CCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 481321 GKHHWNHOXXWVQR-UHFFFAOYSA-N 309.291 3.594 0 40 DHAB CCN(CC)c1ccc(C(=O)OCCNC2CCCCC2)cc1 1710564 GEVGKUJSAMSUEK-UHFFFAOYSA-N 318.461 3.612 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 2627705 OFGGHOTYCGVLET-UHFFFAOYSA-N 323.439 3.608 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc3nc(C)sc3c2)c1 2628331 HLOPKTPDNWPIOU-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB CCCCc1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1 3325743 USOOSWZLNXEEAN-UHFFFAOYSA-N 311.385 3.772 0 40 DHAB CCOc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1 3334146 FGJQXAZLWGOQOH-UHFFFAOYSA-N 322.408 3.768 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1 3388301 HTMOWIXJADLHRV-UHFFFAOYSA-N 319.360 3.944 0 40 DHAB COc1cccc(/C=C/C(=O)NCc2ccc(Cl)cc2)c1 3480083 ZEDIHBDALMMMIJ-JXMROGBWSA-N 301.773 3.678 0 40 DHAB CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(C)c1 3590940 FOJPBWGERPKUAK-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1c(C(=O)C(=O)NCCC2=CCCCC2)c2ccccc2n1C 4062510 CQLUQFGZPPMFRH-UHFFFAOYSA-N 324.424 3.676 0 40 DHAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 4155647 JIBKPACIMJCOTO-UHFFFAOYSA-N 308.447 3.635 0 40 DHAB O[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 4683829 KPKKFLBYCOLRQR-QOCXUPEVSA-N 316.826 3.583 0 40 DHAB c1ccc([C@H]2C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744884 CPGHRHMJQUGJTA-ZIAGYGMSSA-N 306.321 3.736 0 40 DHAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccccc2)no1 5293206 FPDWZBWQELBUPC-UHFFFAOYSA-N 324.336 3.527 0 40 DHAB COc1cccc(Cl)c1NC(=S)NCc1ccccc1 6259225 STGYZXHZZOKMFB-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB CC[C@@H](OC[C@@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1 6356121 QPXDBTYBCYZQBM-FFZOFVMBSA-N 313.441 3.866 0 40 DHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCc2ccccc2C1 6609415 GTJZJLVXGNLTND-CYBMUJFWSA-N 314.816 3.725 0 40 DHAB CCNc1nnc(S[C@@H](C)C(=O)c2cc(C)ccc2C)s1 7247160 SBONKDUSLJJAKR-NSHDSACASA-N 321.471 3.950 0 40 DHAB O=C(OCc1nc2ccccc2o1)c1ccc2ncsc2c1 8276153 JXMAYVYGVAIMCC-UHFFFAOYSA-N 310.334 3.795 0 40 DHAB CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 8615387 PWVLZAWWMIOCEB-OFXPRUCISA-N 317.473 3.726 0 40 DHAB O=c1c2sccc2ncn1Cc1ccc(C(F)(F)F)cc1 8771564 PPWYOYPAGQAFRV-UHFFFAOYSA-N 310.300 3.525 0 40 DHAB O=C1c2ccccc2N[C@H](c2cccnc2)N1c1ccc(F)cc1 9157425 KOSJCQGVANJJAR-SFHVURJKSA-N 319.339 3.992 0 40 DHAB O=C(Cc1ccsc1)Nc1ccccc1OC(F)(F)F 9389940 DHCNWOUPFRECON-UHFFFAOYSA-N 301.289 3.828 0 40 DHAB S=C(Nc1ccc(N2CCCCC2)nc1)NC1CCCCC1 11101871 WKQHJDKACCQNIJ-UHFFFAOYSA-N 318.490 3.691 0 40 DHAB CCOc1ccc(-c2ccc(C)c(NC(=O)c3ccco3)c2)nn1 11694194 WVSWMOXXUJVHBW-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1Cl 12435516 UGUQCLRNVCJIGF-UHFFFAOYSA-N 314.772 3.941 0 40 DHAB O=C(CCNC(=O)c1ccccc1)Nc1ccc2sccc2c1 12622110 FGCVGFRPJGHMSJ-UHFFFAOYSA-N 324.405 3.660 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)O 13094978 FICCUPYHHFFCIM-JXMROGBWSA-N 301.729 3.690 0 40 DHAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 17355906 LPXHRBIVKQAICN-PGBBXINNSA-N 323.440 3.898 0 40 DHAB O=S(=O)(Cc1ccccc1Cl)c1ccc(Cl)cc1 19822728 NVCKSZFXSWJIAV-UHFFFAOYSA-N 301.194 3.967 0 40 DHAB Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)c1ccccc1 23694192 UZQVCBTXUCRRGY-UHFFFAOYSA-N 323.440 3.670 0 40 DHAB O=C1CCCN1c1ccc(-c2ccc(N3CCCC3=O)cc2)cc1 32285497 OMNUFSSOMFCBLR-UHFFFAOYSA-N 320.392 3.607 0 40 DHAB O=C(O)c1cc(Br)ccc1COc1ccccc1 39342712 GBBJRVTXYBVYDI-UHFFFAOYSA-N 307.143 3.726 0 40 DHAB Cc1nc(C)c(C(=O)NCC2(c3ccccc3)CCC2)s1 40039607 CGCFBVPGKWWVAB-UHFFFAOYSA-N 300.427 3.612 0 40 DHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1cccc(F)c1 40150194 UBPRSJBRZRRBJX-OAHLLOKOSA-N 315.392 3.585 0 40 DHAB O=C(NCc1ccccc1)c1ccc(Br)c(F)c1 43578667 DTEMBOSDECEUBP-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB COc1cc(NC(=O)CCC2CCCCC2)ccc1NC(C)=O 44773502 ZZZSDZQVHDPILD-UHFFFAOYSA-N 318.417 3.953 0 40 DHAB O=C(CCN1CCC[C@H]1c1ccsc1)Nc1ccccc1 48367727 IHYQDRYYGZADGN-INIZCTEOSA-N 300.427 3.914 0 40 DHAB COc1ccccc1[C@H](C)N(C)Cc1ncc(C)c(OC)c1C 58167903 GZKHRPICTPUEMW-HNNXBMFYSA-N 314.429 3.909 0 40 DHAB CN(C(=O)c1ccsc1)c1ccc(Br)cc1F 65864252 GUFZNHUVZIUUPS-UHFFFAOYSA-N 314.179 3.926 0 40 DHAB COc1ccc(CC[C@@H]2CCCCN2C(=O)C(C)C)cc1OC 69538891 NYPPQWUZQONGCG-INIZCTEOSA-N 319.445 3.674 0 40 DHAB COc1ccccc1[C@H]1C[C@@H]1C(=O)N(CC(F)(F)F)C(C)C 69738777 VJUXGXVJOXTEGT-OLZOCXBDSA-N 315.335 3.598 0 40 DHAB C[C@H](Cn1cnc2c([nH]c3ccccc32)c1=O)c1ccccc1 71289375 AVMMZXQPODAEET-CYBMUJFWSA-N 303.365 3.682 0 40 DHAB C[C@]1(C(=O)N2CC=C(c3cccs3)CC2)CC1(Cl)Cl 72287360 MZFNVFHPYBCPPX-CYBMUJFWSA-N 316.253 3.948 0 40 DHAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2cccs2)n1 72355427 BNWAUIWOIKFTPW-KRWDZBQOSA-N 324.453 3.974 0 40 DHAB COc1cccc(NC2=NC(=O)S/C2=C\c2ccncc2)c1 72401065 SROLVTGNCJQHOH-ZROIWOOFSA-N 311.366 3.809 0 40 DHAB CCOc1ccc([C@H]2CCCN2CCCc2nc(C)no2)cc1 78970884 ZNSLKXJNDDOBIY-QGZVFWFLSA-N 315.417 3.546 0 40 DHAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 84651714 RLGISGJQXBHHHP-QMMMGPOBSA-N 309.774 3.621 0 40 DHAB CC(=O)Nc1cccc(COc2cc(F)cc(F)c2C(C)=O)c1 95427688 KOOFFPCQVZWZPV-UHFFFAOYSA-N 319.307 3.705 0 40 DHAB COCC(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 95947799 MAFWUYOWPDWGJM-UHFFFAOYSA-N 300.398 3.706 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl 96319089 JMUUHRKIGSTBOI-VIFPVBQESA-N 311.168 3.794 0 40 DHAB O=C(NCCc1cccs1)c1cccc(Oc2ccccn2)c1 96382921 LBRNOKKDJXROSM-UHFFFAOYSA-N 324.405 3.908 0 40 DHAB Oc1ccccc1C1=C[C@H](c2ccc(Cl)cc2)n2ncnc2N1 100895247 PNONEWLNUGNEDF-OAHLLOKOSA-N 324.771 3.693 0 40 DHAB CC(C)N1C(=O)C2(CCN(Cc3ccco3)CC2)c2ccccc21 101883391 CEZGEJJEWWAVNO-UHFFFAOYSA-N 324.424 3.568 0 40 DHAB COc1ccccc1CCCNC(=O)CCc1ccc(F)cc1 223008570 YBPJIEDSWUKNTL-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccccc1 223722865 SWNGYIVTUGWSIP-UHFFFAOYSA-N 311.406 3.661 0 40 DHAB O=C(Cc1ccc(Cl)cc1F)NCCCc1ccc(F)cc1 223919952 JWPPDKVWMODWSJ-UHFFFAOYSA-N 323.770 3.910 0 40 DHAB CCc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1 225164232 AYPWVGPDJFGPAN-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB Cc1cccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1 225792856 SWKCAUQQSAFSRR-UHFFFAOYSA-N 317.392 3.937 0 40 DHAB CCc1ccc2oc(-c3cc(Br)c[n+](C)c3)nc2c1 226774794 RNAGPQLINAALNB-UHFFFAOYSA-N 318.194 3.644 0 40 DHAB Cc1cnc(C2(C)CCN(C(=O)Cc3cccs3)CC2)s1 257211016 BXDAEWZYPPJNHK-UHFFFAOYSA-N 320.483 3.636 0 40 DHAB CCOCC[C@H]1CCOC12CCN(Cc1ccc(F)cc1)CC2 585104155 GLVUSILFOSUBBR-KRWDZBQOSA-N 321.436 3.623 0 40 DHAB O=C(NCc1cccc2ccccc12)N[C@@H]1CCC12CCOCC2 585406676 CYJRDCSVLXQTRY-GOSISDBHSA-N 324.424 3.598 0 40 DHAB Cc1noc([C@@H]2CCC3(CCN(CC4CCCCC4)CC3)O2)n1 2055759425 YPOIYSOYVWFIEG-INIZCTEOSA-N 319.449 3.644 0 40 DHAB CC(=O)Nc1ccccc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 300356 OZYKECDIWRBBAF-AUUYWEPGSA-N 314.429 3.686 0 40 DHAB Cc1cc(=O)oc2ccc(OC(=O)c3ccccc3Cl)cc12 353799 MEEWINMROXOWSB-UHFFFAOYSA-N 314.724 3.974 0 40 DHAB O=C(Nc1ccccc1N1CCCC1)c1cccnc1Cl 553719 BTFWPUWBFUUBOH-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB Cc1cccc(-c2nnc3sc(-c4cccc(F)c4)nn23)c1 1018221 NUVUMFJNNKQMEW-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB CCC[C@@H](CNC1CCCCC1)OC(=O)c1ccc(N)cc1 1716534 RBYCFFUXGBVXCR-KRWDZBQOSA-N 304.434 3.517 0 40 DHAB C[C@@H](c1ccccc1)c1ccc(C(=O)O[C@H](C)CCN(C)C)o1 1817504 UQKRKNYMJLVFPM-CABCVRRESA-N 315.413 3.928 0 40 DHAB CCCCN(C(=O)c1ccc(F)cc1)C1C[C@@H]2CC[C@H](C1)N2C 2761097 IIVNAMSBBQUJCZ-JWTNVVGKSA-N 318.436 3.693 0 40 DHAB Cc1ccc(Cn2c(-c3ccc(=O)[nH]c3)nc3ccccc32)cc1 3051206 JBBJXGFHDGHJMI-UHFFFAOYSA-N 315.376 3.748 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)COc1cccc(Cl)c1 3516042 JMCXGCOCFAYAJC-CQSZACIVSA-N 317.816 3.856 0 40 DHAB CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1 4819615 TYGPEXZRJYGQCT-HYVNUMGLSA-N 315.413 3.858 0 40 DHAB CC(C)(C)CC(=O)Nc1c2c(nn1-c1ccccc1)CSC2 5077220 WGZVTLUAFYNGKP-UHFFFAOYSA-N 315.442 3.994 0 40 DHAB CC(=O)N1C(=S)NC(c2ccccc2)=C[C@@H]1c1ccccc1 5378140 OAIJJKHTLVOBLU-QGZVFWFLSA-N 308.406 3.505 0 40 DHAB Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)cc2F)c1 5704831 DKEZTTOPGGOMSU-UHFFFAOYSA-N 305.324 3.989 0 40 DHAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)c1ccccc1 6176138 LWXTZZJJWJWRBM-CYBMUJFWSA-N 323.421 3.846 0 40 DHAB O=c1cc2c(nn1Cc1ccc(Cl)cc1)-c1ccccc1CC2 6243022 CSHMWWQNHDCIRA-UHFFFAOYSA-N 322.795 3.711 0 40 DHAB CN1CCN(c2nc(-c3ccc4ccccc4c3)cs2)CC1 6784597 ULQGIUUFJOPNPL-UHFFFAOYSA-N 309.438 3.715 0 40 DHAB CN(C)[C@H](CNc1ccc(C(F)(F)F)cn1)c1ccccc1 6784780 NVJHCEJHMDWFNV-CQSZACIVSA-N 309.335 3.815 0 40 DHAB Cc1cccn2cc(CSc3nnc(-c4ccccc4)o3)nc12 8012294 LHNIGLNBOSPUKT-UHFFFAOYSA-N 322.393 3.985 0 40 DHAB COc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1OC 8015088 YEWZZSNTQWZGNJ-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCc2ccccc2C1 8041326 CDAIMAGCZNFHLG-LJQANCHMSA-N 309.409 3.737 0 40 DHAB COc1cccc(CSc2nc(-c3ccccc3F)n[nH]2)c1 8494703 XCGVNTCUENGTGU-UHFFFAOYSA-N 315.373 3.912 0 40 DHAB COc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 10041203 ORUHHKPUDJJNMF-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2C)c2cnn(C(C)C)c2n1 10808768 JQUHDUVMDLVTMK-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB Cc1cc(C)cc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11155079 OBSQQAGTDXGHPG-SFHVURJKSA-N 312.388 3.874 0 40 DHAB C[C@@H](Cc1cccs1)NC(=O)Cn1ccc2ccc(F)cc21 12148654 COBCKTAITRMQJD-LBPRGKRZSA-N 316.401 3.589 0 40 DHAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1 12232602 KCZRFLUSSWJMMU-UHFFFAOYSA-N 322.389 3.766 0 40 DHAB COc1ccc(-c2cncnc2-c2ccc(OC)cc2O)cc1 12477777 FBEYMNRNEZKVQD-UHFFFAOYSA-N 308.337 3.533 0 40 DHAB O=C(Nc1ncccc1O)c1sc2ccccc2c1Cl 12645001 CTWXACCFBYALRO-UHFFFAOYSA-N 304.758 3.908 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccccc1 12870243 OIUWDYRJVZOLGB-UHFFFAOYSA-N 324.424 3.877 0 40 DHAB Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 12939632 HUHGDKCLOCANDO-IBGZPJMESA-N 323.440 3.954 0 40 DHAB CCCCCNC(=O)CSc1nc2ccc(Cl)cc2o1 12951264 XEKDSDGEXADJAK-UHFFFAOYSA-N 312.822 3.880 0 40 DHAB CCOc1ccccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 13000886 CNZBVRUOVJPNQE-UHFFFAOYSA-N 324.384 3.663 0 40 DHAB Cc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 13629303 OCGDZMUHYNKOHL-ZGKFYVQTSA-N 324.424 3.555 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C)c(C)c1 15471240 KGEFYZSITHFBRY-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB Cc1ccc(NC(=S)NCCc2ccc(O)cc2)cc1C 17025136 REFGHSNQTXELII-UHFFFAOYSA-N 300.427 3.538 0 40 DHAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 17355905 LPXHRBIVKQAICN-JSFDKUKPSA-N 323.440 3.898 0 40 DHAB CN(C)/C=C(/C=C/c1ccccc1)S(=O)(=O)c1ccccc1 20404755 YWXQCGCSSZBVKU-JRDADBJUSA-N 313.422 3.577 0 40 DHAB Cc1cccc(NC(=O)c2cccnc2Oc2ccccc2)n1 24924839 QKNJEKQVTWWNQU-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1cccs1 27584185 GKPSLPOBEAMFHS-CYBMUJFWSA-N 320.483 3.767 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(F)c(F)c1F 28210655 WXWFLGNFUHXYIK-NSHDSACASA-N 307.315 3.855 0 40 DHAB O=C(CCC1CCCC1)Nc1nnc(-c2ccncc2)s1 28226026 LJRJAYUBRRHNQE-UHFFFAOYSA-N 302.403 3.509 0 40 DHAB O[C@H](CN1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 29827580 SIQVXMWPENGURW-SJLPKXTDSA-N 322.408 3.741 0 40 DHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)NC1CCCC1 31033295 PQZIVSSXGAUHMY-UHFFFAOYSA-N 316.323 3.669 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2)c1C 31112994 PVRYCZQRKWGMCT-UHFFFAOYSA-N 312.369 3.604 0 40 DHAB O=C(OC/C=C/c1ccccc1)c1ccc2c(c1)OCCCO2 32719115 QFFHWRQXOVBCAS-XBXARRHUSA-N 310.349 3.718 0 40 DHAB Cc1c(C(=O)NCc2ccc(Cl)s2)oc2c1C(=O)CCC2 40133076 BBVPTVYOFBQTJA-UHFFFAOYSA-N 323.801 3.752 0 40 DHAB CCc1noc(-c2ccc(NC(=O)c3ccc(OC)cc3)cc2)n1 46018799 INJNLKNEVPFIHJ-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB CCN(C(=O)COC(=O)c1ccc(Cl)cc1)c1ccccc1 51356251 SYJJZLBRXKKJTM-UHFFFAOYSA-N 317.772 3.550 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccccc1C2 51943338 WADUXZCOHAHPFB-UHFFFAOYSA-N 302.418 3.672 0 40 DHAB O=C(CCc1ccccc1)N(Cc1ccccc1)C[C@H]1CCCO1 56148478 BVYOPXJZCLYZEE-HXUWFJFHSA-N 323.436 3.827 0 40 DHAB O=C(CCSCc1ccccn1)N[C@H]1CCc2ccccc21 58839775 ULJIKTPEYYSWMZ-KRWDZBQOSA-N 312.438 3.509 0 40 DHAB COc1ccc2oc(C)c(C(=O)N[C@H](C)c3cccnc3)c2c1 65627031 UYHCFZLMJAMPBT-LLVKDONJSA-N 310.353 3.636 0 40 DHAB C[C@@H](NCc1ccccc1N1CCOCC1)c1ccc(F)cc1 66970180 HUYLHTWBGCRVCO-OAHLLOKOSA-N 314.404 3.513 0 40 DHAB COc1ccccc1S(=O)(=O)N(c1ccc(C)cc1)C(C)C 68919779 UGCYEKUGTOMGFY-UHFFFAOYSA-N 319.426 3.607 0 40 DHAB C[C@H](NC(=O)N(CC1CC1)C1CCCCC1)c1ccncc1 69666057 GYHZLMJWIIHMDP-AWEZNQCLSA-N 301.434 3.897 0 40 DHAB O=C([C@H]1CC=CCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 72287099 YHWTYKADRQLJSA-VIFPVBQESA-N 315.257 3.686 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 76068748 OUIXQPDGRZXZAA-JSGCOSHPSA-N 318.417 3.824 0 40 DHAB CCCn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 78386289 VTCULZAFCOOPEE-UHFFFAOYSA-N 300.308 3.752 0 40 DHAB CC(C)(C)c1nc(C(C)(C)NCc2ccc(F)cc2F)no1 78555843 QZMFGNMUVOWKJW-UHFFFAOYSA-N 309.360 3.670 0 40 DHAB CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C 79420394 DIVCHQAEDONGEO-AWEZNQCLSA-N 317.260 3.714 0 40 DHAB C[C@@H](SCC(=O)Nc1ccccn1)c1ncc(C(C)(C)C)o1 83125068 ZEDRCXJGNISNEG-LLVKDONJSA-N 319.430 3.800 0 40 DHAB CCS[C@@H]1CC[C@@H](N[C@@H](C)c2cnc3cc(C)nn3c2C)C1 91730997 LMJQIDCAWGDGFR-NWANDNLSSA-N 318.490 3.671 0 40 DHAB CSc1nccn1Cc1ccc(Br)cc1F 95416219 ABMYVZYXYCLACH-UHFFFAOYSA-N 301.184 3.555 0 40 DHAB CCc1ncsc1NC(=O)c1c(F)c(F)cc(F)c1F 95431332 PVOPOHNYFJTRSR-UHFFFAOYSA-N 304.268 3.514 0 40 DHAB O=C1CN(c2ccccc2)C(=O)N1Cc1cc2ccccc2s1 95992511 VNEYAKNKHZPLOI-UHFFFAOYSA-N 322.389 3.870 0 40 DHAB Fc1cccc(N2CCC3(CC2)C[C@@H](c2cccnc2)CO3)c1 96220314 LOLVSPQIBADOEN-MRXNPFEDSA-N 312.388 3.764 0 40 DHAB Cc1cc(N(C)Cc2nnc(C3CC3)o2)ccc1Br 96408993 BCHYNZPZKJXABX-UHFFFAOYSA-N 322.206 3.654 0 40 DHAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC(Oc2ccc(F)cc2)CC1 100730998 MRKYFDAAAOKBTB-IAGOWNOFSA-N 317.404 3.632 0 40 DHAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COC[C@H]1C[C@H]2CC[C@H]1C2 106219682 CDWNVYOEAWOXCA-WNRNVDISSA-N 323.521 3.843 0 40 DHAB CCc1noc(CC)c1CN[C@H](C)c1cc(C)ccc1OC 166959509 OEQGNJXRCVYXRJ-CYBMUJFWSA-N 302.418 3.967 0 40 DHAB C[C@@H](c1cccs1)[S@@](=O)Cc1ccc(-n2cccn2)cc1 195562673 BONRQSPPWFREOJ-ZSEKCTLFSA-N 316.451 3.944 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCC2=CCCCC2)c1 224424006 DONDXXLDFATOGP-MRXNPFEDSA-N 301.430 3.996 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1cc(C(=O)OC)ccc1Cl 225382660 NMKIJKCCDLWPGB-SECBINFHSA-N 314.838 3.602 0 40 DHAB O=C(NCc1cncc(-c2cccs2)c1)NC1CCCC1 225668022 IJCOCBWQLXVTBG-UHFFFAOYSA-N 301.415 3.552 0 40 DHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)cc2C)cc1 225734931 GXKPWRHFZIFXSL-OAHLLOKOSA-N 313.397 3.509 0 40 DHAB CCC(CC)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225801685 KBMALWCPCIWDEX-UHFFFAOYSA-N 319.474 3.597 0 40 DHAB Cc1ccc(OCC(=O)Nc2c(N)cccc2Cl)cc1C 226359128 VHDUFNMAQIHJGF-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CC(=O)N[C@@]1(C)C[C@H](c2cccc(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257247367 IYRSOWDNXFRMIL-FXJWEYNDSA-N 319.420 3.987 0 40 DHAB Cc1cccnc1NCc1ccc(-c2ccccc2C(=O)O)cn1 257279608 OHIXSSMHIGOJTF-UHFFFAOYSA-N 319.364 3.762 0 40 DHAB Cn1ccc2c1CN(CC1CC1)Cc1cn(-c3ccccc3)nc1-2 306138897 SKISNESAAGNULU-UHFFFAOYSA-N 318.424 3.603 0 40 DHAB FC(F)C1(c2nc(-c3nccc4[nH]ccc34)no2)CCCC1 581718738 CWMRERRAHTTXDM-UHFFFAOYSA-N 304.300 3.690 0 40 DHAB CCC(CC)n1ncc(C(=O)N[C@H](C)c2ncccc2F)c1C 585088320 VRCIGRVESDPFGO-LLVKDONJSA-N 318.396 3.578 0 40 DHAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1F 1776008500 IKAJDAMWQNPJRK-HOTGVXAUSA-N 315.388 3.938 0 40 DHAB Cc1cccc(NC(=O)N2CCc3nc4ncccc4cc3C2)c1 1890148274 JSBAUYYFENKHQV-UHFFFAOYSA-N 318.380 3.528 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl 577966 WITAIBCVFJEGSW-UHFFFAOYSA-N 310.136 3.974 0 40 DHAB CC(C)CC[C@]1(CCN2C(=O)CCC2=O)CCO[C@H](C(C)C)C1 2111816 ANCPIMCKINDVSO-LPHOPBHVSA-N 323.477 3.783 0 40 DHAB biogenic CCn1ncc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)c1C 2760796 LGUYGFFEHHKTMZ-CMDGGOBGSA-N 323.318 3.882 0 40 DHAB Cc1cc(C)cc(CN2C(=O)NC3(CCCCCCC3)C2=O)c1 3463638 WZCWHBHUYUEVHM-UHFFFAOYSA-N 314.429 3.838 0 40 DHAB Cc1c(-c2cccc(NC(=O)CC(C)C)c2)nc2ncccn12 4033176 XCZHUCTXCVNKAK-UHFFFAOYSA-N 308.385 3.689 0 40 DHAB Cc1ccc(CNc2nc3ccc(C)cc3n3cnnc23)cc1 4835081 IOYIWROOEYGVMH-UHFFFAOYSA-N 303.369 3.506 0 40 DHAB aggregator CSc1nc(C)c(CCC(=O)Nc2cccc(F)c2)c(C)n1 7940403 OELPRGKDNXUWIQ-UHFFFAOYSA-N 319.405 3.526 0 40 DHAB O=C(CN1CCc2sccc2C1)Nc1cc(Cl)ccc1F 10341600 PDCJZIRFCDRBFH-UHFFFAOYSA-N 324.808 3.537 0 40 DHAB C=COCCCNc1ncc(-c2cc(C)no2)c(C(C)C)n1 12186878 KPIAQZVKTDUNKM-UHFFFAOYSA-N 302.378 3.526 0 40 DHAB CCCCN(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 13004307 UCNRZSYBCBOWCG-UHFFFAOYSA-N 316.426 3.873 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)CN[C@@H]1CCC[C@@H](C)[C@@H]1C 14360277 QLYHNZAWWXYRRP-ZIFCJYIRSA-N 316.489 3.838 0 40 DHAB O=C1C[C@H](c2ccc(F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15084820 YHTZQWDBKGAKNY-CQSZACIVSA-N 322.343 3.767 0 40 DHAB O=C(O)c1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 20605754 OCKYXVAGPDKBOC-UHFFFAOYSA-N 315.332 3.762 0 40 DHAB CC(C)C(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1 21896595 UFUWICOCLGKNNS-UHFFFAOYSA-N 316.426 3.914 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-n2cccn2)cc1 23269131 FGTQJFPOVCMROZ-LJQANCHMSA-N 317.392 3.680 0 40 DHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(O)cc2)c1C 24964273 NNRVQQZCZAPSDP-UHFFFAOYSA-N 312.365 3.877 0 40 DHAB O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 25238750 NDKCIQMEVPXAKO-CHWSQXEVSA-N 300.324 3.607 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cnc2ccccc2c1 25533700 XLXQLISVLLLLNJ-UHFFFAOYSA-N 320.348 3.535 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)/C=C/c2cccs2)c1 30278819 YQEMGVVRCAQHKU-IDVQTMNDSA-N 314.410 3.597 0 40 DHAB O=C(CSCc1ccc(F)cc1)N1CCc2ccccc21 30755882 IPSYKVPZRCULRG-UHFFFAOYSA-N 301.386 3.648 0 40 DHAB CCC(CC)NC(=O)c1cnn(Cc2ccccc2Cl)c1 32843367 RGDYYTPYLOVTDT-UHFFFAOYSA-N 305.809 3.503 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@@H]2COc3ccccc3C2)c(C)c1 39998432 QMRNCIPAMZPZSJ-SFHVURJKSA-N 309.409 3.513 0 40 DHAB Cc1ccc([C@H](O)CNC(=O)Nc2ccc(F)c(Cl)c2)cc1 40097655 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CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 3462642 NTIMZQFOIZHGPJ-BJMVGYQFSA-N 314.772 3.950 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 3566753 FDLLJSFYWGIUIG-UHFFFAOYSA-N 309.287 3.895 0 40 DHAB CCC(CC)N(N=O)c1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-] 5460340 MIHBNYMMGYGFGX-UHFFFAOYSA-N 310.310 3.796 0 40 DHAB CC(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 5576530 AIRJMUHMBFYROW-UHFFFAOYSA-N 307.353 3.542 0 40 DHAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1C[C@H]1CC(=O)O[C@@H]12 5758093 WMPILWCYEKVIBD-PUDAYMCYSA-N 314.425 3.670 0 40 DHAB COc1ccc(-n2c(S)nnc2-c2ccccc2)cc1Cl 6181875 CXYQDOBBISPPHW-UHFFFAOYSA-N 317.801 3.885 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)S[C@H](C)C(=O)N2 6678492 ZWONHGGXXVOGRQ-PRHODGIISA-N 307.806 3.535 0 40 DHAB CN(C)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 6910972 BRYRLSCEABEHAC-UHFFFAOYSA-N 322.452 3.848 0 40 DHAB Nc1nnc(SCc2ncc(-c3ccc(Cl)cc3)o2)s1 7128682 VWODQTFSCOQFQR-UHFFFAOYSA-N 324.818 3.721 0 40 DHAB Cc1cc(=O)oc2cc(Oc3ncnc4sccc34)ccc12 7779848 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BDJAQBFXCMLWJM-MRXNPFEDSA-N 322.393 3.692 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)o1 48055620 DIRZZAFVWMMRFE-IAQYHMDHSA-N 313.401 3.828 0 40 DHAB O=C(c1ccc2c(c1)CCO2)N1CCCCC[C@H]1c1ccncc1 49765887 ZJYBOGARLQZESB-SFHVURJKSA-N 322.408 3.774 0 40 DHAB CCOc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1 55675920 DPHVKUKMPDQQMJ-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB NC(=O)c1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1 59018073 NNMACBRIMPFGQC-UHFFFAOYSA-N 316.332 3.854 0 40 DHAB Cc1ccc([C@@H](C)N(C)CC(=O)N2CCc3ccccc32)cc1 59038191 AOFFDXKDCVPYNY-MRXNPFEDSA-N 308.425 3.577 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)OC2CCCC2)n1 72283298 PQHLMNNJNQAQST-DZGCQCFKSA-N 322.474 3.853 0 40 DHAB Cc1nc(Nc2ccc(NC(=O)CC(C)C)cc2)c2cc[nH]c2n1 72307806 LOZRAYTYXUPYMD-UHFFFAOYSA-N 323.400 3.995 0 40 DHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC1 73018647 HURLAVFXLOTWAB-UHFFFAOYSA-N 322.817 3.530 0 40 DHAB Cc1ncccc1NC(=O)c1csc(CCc2ccccc2)n1 73355237 BFTMXIUNGRTESO-UHFFFAOYSA-N 323.421 3.884 0 40 DHAB CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)/C=C/c1cncc(F)c1 74583249 AOPGHHWRXVOUGV-SGUJLRQBSA-N 318.314 3.669 0 40 DHAB Cc1ncc(COC(=O)[C@@H]2SCCc3sccc32)s1 76876597 CFZPBRHEMRQBPF-GFCCVEGCSA-N 311.453 3.587 0 40 DHAB Cc1nccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)n1 84290715 QTLFBTLOWUILCM-OAHLLOKOSA-N 301.415 3.508 0 40 DHAB COCCSCc1cccc(NC(=O)N(C)CC2CCC2)c1 95398087 RREIUFZMIRWFFW-UHFFFAOYSA-N 322.474 3.830 0 40 DHAB COc1ccc2c(c1)C(=O)CCN2C(=O)c1cc2ccccc2o1 95939657 UGHTVIARWMORCB-UHFFFAOYSA-N 321.332 3.675 0 40 DHAB C[C@@H](c1ccc(F)cc1F)N1CCc2c(ncn2C2CC2)C1 95950596 KPDKMMYXYLFOBO-NSHDSACASA-N 303.356 3.616 0 40 DHAB Clc1cc(Cl)c(I)c(Cl)n1 96171670 UIHXXXPADZKLGR-UHFFFAOYSA-N 308.333 3.646 0 40 DHAB CC(C)Cc1sc(Cl)nc1C(=O)Nc1ccccc1O 96223778 KCQAYJNNFRDZEQ-UHFFFAOYSA-N 310.806 3.953 0 40 DHAB Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H]1CCOC1 96409216 XNGFBILOTRSAJG-INIZCTEOSA-N 311.381 3.549 0 40 DHAB C[C@H](C1CC1)n1nccc1NC1CCN(Cc2ccccc2)CC1 97009608 DVDAWGCQDBQDTD-MRXNPFEDSA-N 324.472 3.931 0 40 DHAB 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40 DHAB CC(C)(O)c1ccc(OCc2cccnc2C(F)(F)F)cc1 530163540 OSBWCQZFGAUQAT-UHFFFAOYSA-N 311.303 3.907 0 40 DHAB CCC[C@]1(COC)CCCN1C(=O)c1sccc1Cl 585081978 LBEDXSOYQKFBQB-CQSZACIVSA-N 301.839 3.823 0 40 DHAB CCc1ccc2occ(C(=O)N[C@H](C)c3nccc(C)n3)c2c1 585088267 RYDHFYXBIIALTO-GFCCVEGCSA-N 309.369 3.585 0 40 DHAB Cc1cccnc1CCNC(=O)N[C@@H]1CCCC12CCCCC2 661269515 CQNRALRLIMQDII-QGZVFWFLSA-N 315.461 3.735 0 40 DHAB OCc1cc(C(F)(F)F)nc2ccc(Br)cc12 685936940 GFXKAYWCNNMGPX-UHFFFAOYSA-N 306.081 3.508 0 40 DHAB Cc1cnc(C)c(OC2CCN([C@H](C)c3ccccc3)CC2)n1 2087136711 LDTPLMGSBNRUPL-MRXNPFEDSA-N 311.429 3.698 0 40 DHAB O=C(NCCN1CCCCC1)c1sc2ccccc2c1Cl 198872 DMWPXNXPANKPGY-UHFFFAOYSA-N 322.861 3.770 0 40 DHAB COc1cccc(C(=O)Nc2ccc(CN3CCCC3)cc2)c1 514873 FBFTVSYPWRBBAM-UHFFFAOYSA-N 310.397 3.543 0 40 DHAB COc1ccccc1C(=O)OCC(=O)c1cc(C)c(C)cc1C 3359534 FAKFRFUZPRKNAA-UHFFFAOYSA-N 312.365 3.660 0 40 DHAB Cc1cc(C)cc(OCC(=O)N[C@H]2CCCc3ccccc32)c1 3434653 FQOAJFBSBGQWNM-IBGZPJMESA-N 309.409 3.876 0 40 DHAB O=C(CSc1nc2ccccc2o1)NC1CCCCCC1 3618938 CNCLSZKGZGXRNB-UHFFFAOYSA-N 304.415 3.759 0 40 DHAB CCCOc1ccc([C@@](O)(CC)CCN2CCCCC2)cc1 3901300 XEUICYHPOPUKPU-LJQANCHMSA-N 305.462 3.949 0 40 DHAB CC(C)C(=O)N[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998167 GWSXJJPHQISQMH-LBPRGKRZSA-N 315.417 3.867 0 40 DHAB O=C(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 5685128 HNDJKKMMGOVARH-UHFFFAOYSA-N 322.389 3.987 0 40 DHAB c1ccc(CNc2ncc(-c3nc4ccccc4o3)cn2)cc1 6223210 SOSUSDBDUHNZJN-UHFFFAOYSA-N 302.337 3.897 0 40 DHAB CCc1nnc(NC(=O)Cc2coc3cc(C)cc(C)c23)s1 6809841 WBLNPTLGYVCXJV-UHFFFAOYSA-N 315.398 3.645 0 40 DHAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 7056219 XVMUVYYDDYWNPK-UHFFFAOYSA-N 317.410 3.813 0 40 DHAB C[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 8746341 VOORZJTUKAMZSN-NSHDSACASA-N 303.793 3.602 0 40 DHAB Cc1c(C(=O)NC2CCCCC2)oc2c1[C@@H](O)CC(C)(C)C2 9575897 WJZHAIDAQUQDGY-ZDUSSCGKSA-N 305.418 3.656 0 40 DHAB CC[C@H](C(=O)Nc1ccccc1)N1CCc2sccc2C1 10107220 WKPLGXYERSHGOB-OAHLLOKOSA-N 300.427 3.524 0 40 DHAB C[C@@H]1CCCN(C(=O)CSCc2c(F)cccc2Cl)C1 10541092 OGCPODOKAJJTRC-LLVKDONJSA-N 315.841 3.971 0 40 DHAB CCOc1ccc(CN(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 12790884 MREWAITYZOABTC-YOEHRIQHSA-N 304.434 3.805 0 40 DHAB CSc1nc2ccc(NC(=O)c3cc(C)no3)cc2s1 13574502 JTJKGTDITKSTRY-UHFFFAOYSA-N 305.384 3.567 0 40 DHAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1 14116782 UFHZCMPSIHZVJT-VZUCSPMQSA-N 324.380 3.614 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 14399265 YGKBXJYGDLDGHH-CYBMUJFWSA-N 303.789 3.766 0 40 DHAB CC(C)c1nnc(NC(=O)COc2ccccc2C(C)C)s1 16965844 BYCGOIIBMDWMFP-UHFFFAOYSA-N 319.430 3.802 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 17355880 KFHQQFMTVMUFSL-UHSVVUDUSA-N 314.429 3.552 0 40 DHAB NC(=O)c1cc(-c2ccccc2)[nH]c1-c1nccc2ccccc12 17429190 ZGIFFDYYZJUMQC-UHFFFAOYSA-N 313.360 3.996 0 40 DHAB CC[C@H]1c2cccn2CCN1Cc1c[nH]nc1-c1ccc(O)cc1 19500991 OKHDCOJYBDJVLM-KRWDZBQOSA-N 322.412 3.551 0 40 DHAB CCCc1c(-c2ccccc2)c(=O)[nH]c2cc3c(cc12)OCCO3 20096421 LOTVXAMSPMGOCG-UHFFFAOYSA-N 321.376 3.919 0 40 DHAB CCCCOC(=O)c1ccc(NC(=O)c2ccsc2)cc1 22392989 CZRALBDBOFUKBP-UHFFFAOYSA-N 303.383 3.957 0 40 DHAB CCC[C@@H](C)NC(=O)COc1ccc(Oc2ccccn2)cc1 29247267 SCYIIINNXUXQGN-CQSZACIVSA-N 314.385 3.558 0 40 DHAB CN(CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCc2ccccc21 29482966 UKXXAOVUAKNERU-QGZVFWFLSA-N 314.816 3.898 0 40 DHAB C[C@H](NC(=O)NC1CCCC1)c1ccccc1Br 30982705 QMSHUWCKNPFIAL-JTQLQIEISA-N 311.223 3.752 0 40 DHAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(-n2cccc2)cc1 32610536 DJSHTUPUOXCZCT-CQSZACIVSA-N 310.422 3.959 0 40 DHAB O=C(NCc1csc(Br)c1)c1cccs1 32923013 KNLHSCZRRUSCOR-UHFFFAOYSA-N 302.218 3.502 0 40 DHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@H]12 33860447 SZKJPNYYJWKGMH-COXZCFCISA-N 306.446 3.686 0 40 DHAB COc1ccc(OC)c([C@@H](O)c2cccc(Br)c2)c1 40244813 ODLHHCLUYDGBHN-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)c1cc2c(s1)CCCCC2 45000541 ILZFUZIQWGQBFX-UHFFFAOYSA-N 303.431 3.620 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H](C(F)(F)F)C1 57364829 XPGZLRDEVVZJIF-GFCCVEGCSA-N 324.346 3.933 0 40 DHAB CCc1cccc(C)c1NC(=O)CNCc1ccc(Cl)cc1 58170351 CGSHTAZIUJPMEB-UHFFFAOYSA-N 316.832 3.939 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)c3cn[nH]c3C)cn2)cc1C 63837380 YGCAXEYZWUOFNG-UHFFFAOYSA-N 322.368 3.775 0 40 DHAB Cc1cc(C(=O)N2CCC[C@H](C)CC2)c2ccc(F)cc2n1 65479355 YUSHNJBYYZLEFF-LBPRGKRZSA-N 300.377 3.945 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)Cc1cn(C)c2ccccc12 65873444 TWAGPCDLHHOQPF-UHFFFAOYSA-N 324.428 3.754 0 40 DHAB Cc1ccc(F)cc1CNC1CCN(C(=O)OC(C)(C)C)CC1 67802663 JBUFLCFWZQLRBQ-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB CCC(CC)c1nnc(NC(=O)c2cccnc2Cl)s1 68714432 SZOZXSDVRLBVIO-UHFFFAOYSA-N 310.810 3.742 0 40 DHAB Cc1c(C(=O)N2CCC[C@H](n3cccn3)C2)oc2c(C)cccc12 69418265 KEHRTTVQMMPZFJ-HNNXBMFYSA-N 323.396 3.723 0 40 DHAB O=C(N[C@H]1CCc2ccccc21)c1cc(-c2ccc(F)cc2)[nH]n1 72328225 OXORLJBZKKDYIF-INIZCTEOSA-N 321.355 3.633 0 40 DHAB c1ccc2c(C[C@H]3CCN(Cc4ccncc4)C3)cncc2c1 72367959 CXZYEKBNQCPJBV-QGZVFWFLSA-N 303.409 3.694 0 40 DHAB CC(C)(C)[C@@H](O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 75157882 PAOIBHIICDNADT-LBPRGKRZSA-N 319.232 3.912 0 40 DHAB COc1ccc(-c2nc(CCNCc3ccc(C)o3)co2)cc1 78552601 QDVMCYPMKCKGOU-UHFFFAOYSA-N 312.369 3.584 0 40 DHAB O=C([C@H]1SCCc2ccccc21)N(Cc1cccnc1)C1CC1 79449668 AHMFVAZWYZJIFN-SFHVURJKSA-N 324.449 3.603 0 40 DHAB C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1nccs1 86394519 HTPDDXRUAUKENO-WDEREUQCSA-N 305.403 3.732 0 40 DHAB COc1ccc(OCc2ncc(C(C)(C)C)o2)c(C(C)=O)c1 89291853 CNANYVKSBKZONT-UHFFFAOYSA-N 303.358 3.762 0 40 DHAB COc1cccc2c1CC[C@@H]2N[C@H](C)c1cccc(NC(C)=O)c1 95419638 ASNMCXODCAGPAH-YJYMSZOUSA-N 324.424 3.992 0 40 DHAB Cc1cnc(CSc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)o1 95442200 IUUWVAKBCPLFRA-ZWNOBZJWSA-N 306.435 3.926 0 40 DHAB Cc1nc([C@H](C)N2C[C@H](C)[C@H](O)C2)oc1-c1ccc(Cl)cc1 95454160 BIJMNULQGKGOPZ-ITDIGPHOSA-N 320.820 3.677 0 40 DHAB CCN(Cc1ccccc1C)C(=O)c1ccc(F)c(OC)c1 95966875 PUWKPKLCICLBMP-UHFFFAOYSA-N 301.361 3.805 0 40 DHAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 96296199 JSKZCKLZWFUNER-INIZCTEOSA-N 317.408 3.635 0 40 DHAB biogenic,in-vitro CO[C@@H](C)c1cccc(NC(=O)NC[C@@]2(C)CCCS2)c1 96466891 KUZSSBSWXJLMRW-BLLLJJGKSA-N 308.447 3.801 0 40 DHAB C[C@H](C(=O)NC(C)(C)C)c1cccc(C(=O)c2ccccc2)c1 98073078 LQMFUZBWURRUDT-AWEZNQCLSA-N 309.409 3.936 0 40 DHAB C[C@@H](NC(=O)CCCOc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 108924822 WLHLXJWNOQGCPP-CVYDXHPNSA-N 301.430 3.787 0 40 DHAB CC(C)[C@H](C)N(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1CC1 127814002 YIZGJWHFQYIZOI-LBPRGKRZSA-N 315.392 3.865 0 40 DHAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 222948300 YSOWHLSDGSQCAV-LSDHHAIUSA-N 317.483 3.916 0 40 DHAB CCCO[C@]1(C(=O)Nc2ccc(OCC)nc2)CCC[C@@H](C)C1 225910552 AWNQYZPLPCTWMU-RDTXWAMCSA-N 320.433 3.794 0 40 DHAB C[C@@H](O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 226273073 KGTFUYKPCYKJFI-SNVBAGLBSA-N 320.186 3.755 0 40 DHAB CC(C)c1[nH]ccc1C(=O)Nc1ccc(N2CCCCC2)cn1 332127435 JWGGWSXLNAPVAE-UHFFFAOYSA-N 312.417 3.776 0 40 DHAB Cc1csc(-c2cccc(C(=O)OCC3CSC3)c2)n1 1526036255 FMZBRDALEHYXNU-UHFFFAOYSA-N 305.424 3.638 0 40 DHAB C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)O 31897 UAJHBFHNGNEZJR-BLLLJJGKSA-N 315.344 3.659 0 40 DHAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 172415 ZMYBENZKATVENR-UHFFFAOYSA-N 321.829 3.790 0 40 DHAB CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 384385 OZXHAIMISKEMPM-UHFFFAOYSA-N 323.179 3.605 0 40 DHAB Cc1ccc(SCC(=O)Nc2nnc(C(C)(C)C)s2)cc1 815468 FRPYPHUAKAAJEL-UHFFFAOYSA-N 321.471 3.875 0 40 DHAB CC1(C)c2cc(Br)ccc2N2CCC(O)=N[C@]21C 1322398 VURFTIXVCIJNRF-CQSZACIVSA-N 309.207 3.623 0 40 DHAB biogenic Cn1c(-c2ccccc2)c(C(=O)O)c(C(=O)O)c1-c1ccccc1 1557250 LAYQNJYPHWXZSY-UHFFFAOYSA-N 321.332 3.756 0 40 DHAB COc1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 2620552 GQGGXGXHDUWEPR-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB Cc1sc2ncnc(SCC(=O)N[C@H](C)C(C)C)c2c1C 3417550 XGRGTIFUBBLMIT-SNVBAGLBSA-N 323.487 3.561 0 40 DHAB Cc1cccc(CSC2=NCCN2C(=O)Cc2ccccc2)c1 4120229 GURZXCOAPHSNOT-UHFFFAOYSA-N 324.449 3.669 0 40 DHAB CCCCCC(=O)OCCSCCOC(=O)CCCCC 4775026 UIDRKZGBUGGCMC-UHFFFAOYSA-N 318.479 3.967 0 40 DHAB O=C(COC(=O)c1ccccc1Cl)c1ccc2c(c1)CCC2 5059369 SUTBNFKQVDTKFE-UHFFFAOYSA-N 314.768 3.868 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1nc2c(F)cccc2s1 5268470 GKFODIWKPGYPHV-UHFFFAOYSA-N 304.321 3.756 0 40 DHAB COc1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1O 5688628 UJJDXNCVGBMDJG-UHFFFAOYSA-N 313.382 3.638 0 40 DHAB COc1ccccc1CNC(=O)CSCc1cccc(C)c1 6288632 ZAFOHCOUVTUZJN-UHFFFAOYSA-N 315.438 3.553 0 40 DHAB O=C(COc1ccc(Cl)cc1)NCCCCc1ccccc1 6338939 BFFAPAZTGVCASM-UHFFFAOYSA-N 317.816 3.858 0 40 DHAB COC(=O)c1ccc(O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 6404923 OGISPAZCGSEPCR-CYBMUJFWSA-N 324.376 3.612 0 40 DHAB COC(=O)c1ccc(CSc2nc3ccc(C)cc3[nH]2)o1 6506654 BWELLQMNADOBEX-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(O)cc1 6510663 IMMIPCXQMVEXRQ-FMIVXFBMSA-N 324.767 3.700 0 40 DHAB Cc1ccc(CSc2nnc(-c3ccccc3)n2N)cc1C 6788706 CHKYJQHCORPVBA-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccccc1Cl 6919740 FWSFQOCNGCQFLS-UHFFFAOYSA-N 307.802 3.630 0 40 DHAB Cc1ccc(-c2nc(CC(=O)NCc3ccccc3)cs2)cc1 7666941 CWUSSKOVPRNMSG-UHFFFAOYSA-N 322.433 3.977 0 40 DHAB Cc1cc(C2=NN=C(N[C@@H]3CCCC[C@@H]3C)SC2)c(C)n1C 8327601 GGQLAEFRGGZPEF-XHDPSFHLSA-N 318.490 3.617 0 40 DHAB O=C(COC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)CCC2 11226426 SRVTVFKIRHRPFJ-UHFFFAOYSA-N 319.360 3.696 0 40 DHAB C[C@H](NC(=O)Cc1ccccc1)c1ccc(OC(F)F)cc1 12852927 XKBVSEGJXHOLFY-LBPRGKRZSA-N 305.324 3.708 0 40 DHAB Cc1cc(C)c(OCC(=O)N[C@@H]2CCc3ccccc32)c(C)c1 12854150 XHNUEXWMYPQZCI-GOSISDBHSA-N 309.409 3.794 0 40 DHAB Cc1ccc(CNCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 13998827 WJFPLMXMUTUPBN-UHFFFAOYSA-N 306.409 3.743 0 40 DHAB O=C(NC1CC1)[C@@H](Oc1ccccc1Cl)c1ccc(F)cc1 14073055 AKCIQDWRSALMQM-INIZCTEOSA-N 319.763 3.878 0 40 DHAB Cc1cccc(C)c1OCC(=O)N[C@H](C)CCc1ccccc1 14291985 VZWGGZMRYRMSSP-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)CCc1ccccc1F 19162731 YCUIMYHGOAUJCP-UHFFFAOYSA-N 315.344 3.574 0 40 DHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccn(C(F)F)n2)cc1C 19213875 WAQPSOXWFXOOAB-OAHLLOKOSA-N 319.355 3.872 0 40 DHAB COc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccccc1 20038377 DLKHYICAVSWESY-CQSZACIVSA-N 315.438 3.834 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 20048636 CIKVHDWPRMOSBV-YVEFUNNKSA-N 319.351 4.000 0 40 DHAB Cc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 20867805 KBRJSBNURFHBRD-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1cc(OCC(=O)Nc2ncccn2)c(C(C)C)cc1Cl 21210261 VATSUGGKUFNGOE-UHFFFAOYSA-N 319.792 3.579 0 40 DHAB Nc1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 22073618 SYHUJFZETSNGBC-UHFFFAOYSA-N 314.344 3.736 0 40 DHAB Cc1nn(CC(C)C)c(Cl)c1CNCCc1ccccc1 23424870 RPQZIPCXTKXENC-UHFFFAOYSA-N 305.853 3.833 0 40 DHAB COc1ccc(/C=C/C(=O)N(C)C2CCC(C)CC2)c(OC)c1 25624599 KOZZBJDABLWWEP-XYOKQWHBSA-N 317.429 3.754 0 40 DHAB O=C(Nc1ccccc1O)c1cnn(-c2ccccc2)c1C1CC1 30603132 XMMCOMIAXRGPNN-UHFFFAOYSA-N 319.364 3.708 0 40 DHAB O=C(NCC1CCC1)N(Cc1ccco1)Cc1cccs1 31130473 LAUYFXVSGXTAPN-UHFFFAOYSA-N 304.415 3.853 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 36744727 XSLFZKUWVQVRNZ-LBPRGKRZSA-N 308.381 3.865 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1-n1cccn1 40114761 ZDWPVPHQKMKLMX-UHFFFAOYSA-N 303.365 3.613 0 40 DHAB O=C(NCc1ccc(Cl)s1)N1CCC[C@@H]1c1ccncc1 44971178 UZVQWDDBKWCHNM-CYBMUJFWSA-N 321.833 3.843 0 40 DHAB CC(C)Oc1cccc(CNC(=O)CCc2ccc(F)cc2)c1 46663210 ADEZNOWYNVRLHC-UHFFFAOYSA-N 315.388 3.862 0 40 DHAB CC(=O)Nc1cccc(NC(=O)Cn2cc(C)c3ccccc32)c1 50256412 CEWOUHWQPZMHFO-UHFFFAOYSA-N 321.380 3.547 0 40 DHAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[C@H]1C=CCC1 50383404 VCAHFAMSKJQIGY-HNNXBMFYSA-N 314.429 3.676 0 40 DHAB COc1cccc(-c2cc(C(=O)Nc3ccc(C)cc3C)n[nH]2)c1 51315590 HXOODUQUYNXDLJ-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB Cc1occc1-c1nnc(S[C@@H](C)c2nc(C3CC3)no2)o1 53438440 XPGHLKAIBCFLGQ-QMMMGPOBSA-N 318.358 3.752 0 40 DHAB Clc1ccc(Cc2nc3cc(-n4cnnc4)ccc3o2)cc1 57326750 NDYAIUZTZNEQIJ-UHFFFAOYSA-N 310.744 3.653 0 40 DHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(C)cn1 58227737 AMTWFYFNXYKISU-SJLPKXTDSA-N 309.413 3.583 0 40 DHAB Cc1cc(C[S@@](=O)Cc2ccc(Cl)c(Cl)c2)no1 64811364 NXJUCWJZEXYEQO-GOSISDBHSA-N 304.198 3.739 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)c1cc2ccccc2o1 65722129 LSGHHCWYPKWFTE-AWEZNQCLSA-N 309.365 3.939 0 40 DHAB CN1CCC(CN(C)C(=O)Nc2ccc3sccc3c2)CC1 69509837 KCSMNLXJDOEPCY-UHFFFAOYSA-N 317.458 3.707 0 40 DHAB Brc1ncnc(-c2ccccc2)c1Br 71256302 IZHMMAQCCJUCPL-UHFFFAOYSA-N 313.980 3.669 0 40 DHAB CCCn1nnnc1CSCc1c(Cl)cccc1Cl 71852896 DMUHTUHZSJYAGP-UHFFFAOYSA-N 317.245 3.823 0 40 DHAB Cc1ccc2c(c1)C(=O)CC21CCN(C(=O)OC(C)(C)C)CC1 72194306 GMNMSSYQHRQWMH-UHFFFAOYSA-N 315.413 3.850 0 40 DHAB COc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c(C)n1 72218112 JRNFWACZUUGZSX-KRWDZBQOSA-N 310.397 3.766 0 40 DHAB CC[C@H](OC1CCCC1)C(=O)N1CCCC[C@H]1c1nccs1 72298584 HNKPXHLHLWJYSF-GJZGRUSLSA-N 322.474 3.935 0 40 DHAB CCN(C)C[C@H]1CCN(C(=O)Nc2cccc3ccccc23)C1 72304808 GXKIBIGZTACJEW-OAHLLOKOSA-N 311.429 3.645 0 40 DHAB Cc1nc(COc2cccc(NC(=O)c3ccco3)c2)oc1C 76062792 KCNKFOWIZFEMEZ-UHFFFAOYSA-N 312.325 3.716 0 40 DHAB COc1ccc2cc(CNCCc3c(C)nn(C)c3C)ccc2c1 84012213 AQCJVNHXDVGXDK-UHFFFAOYSA-N 323.440 3.531 0 40 DHAB O=C(CN(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1)N1CCC1 89818294 YRVDDIDNXVPRNZ-RTBURBONSA-N 318.505 3.822 0 40 DHAB C[C@@H](NC(=O)N(C)CC(C)(C)O)c1cc2cc(Cl)ccc2o1 95411330 XNKGMINVRHUEKU-SNVBAGLBSA-N 324.808 3.560 0 40 DHAB Cc1nc([C@@H](N[C@H]2CCCc3sccc32)c2ccccc2)n[nH]1 95421729 KCQFDRQMUZYEPX-RDJZCZTQSA-N 324.453 3.931 0 40 DHAB Cc1ccc(NCc2cccc3[nH]ccc23)cc1C(=O)N(C)C 95429328 WOHPFGAXPPWEBP-UHFFFAOYSA-N 307.397 3.790 0 40 DHAB N[C@@H](c1ccccc1)c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 95533448 OVQTWHYWIBDAJJ-ZDUSSCGKSA-N 318.302 3.539 0 40 DHAB Cc1oc(-c2cccs2)nc1Cn1cc(-n2cccc2)cn1 95963304 UHPWMTQLLYPMLO-UHFFFAOYSA-N 310.382 3.747 0 40 DHAB C[C@H](NCc1cccc(COC2CCCC2)c1)c1cnn(C)c1 96477434 SNPDWHCRRCDKCJ-HNNXBMFYSA-N 313.445 3.730 0 40 DHAB C[C@H](NC(=O)C1CCNCC1)c1ccc(Oc2ccccc2)cc1 96481236 QPFFACLBUYKOMA-HNNXBMFYSA-N 324.424 3.656 0 40 DHAB C[C@H](N[C@H]1CCCn2ncnc21)c1cc2cc(Cl)ccc2o1 97034640 VWBQIEWXRWTJRA-GWCFXTLKSA-N 316.792 3.863 0 40 DHAB Cc1cc(C)nc(NC(=O)N(C)[C@H](C)c2sc(C)nc2C)c1 97142961 BKNLXMVAZRLXQV-GFCCVEGCSA-N 318.446 3.997 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@H]3C[C@]13CC[C@@H]2C[C@H]1CCCC[C@]13O4 105364870 NYWUQKFITQFOEY-DLEIETQISA-N 304.430 3.741 0 40 DHAB CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccsc1 105577199 HIKUSLVWRQFMIX-OTRWWLKZSA-N 320.502 3.683 0 40 DHAB CN1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 107540604 CSMYIWLVWJTCFC-IAGOWNOFSA-N 314.816 3.515 0 40 DHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118917818 SLGYIGUMKJYZLP-LLHPQLJNSA-N 318.457 3.528 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 216256713 KXACRYAAIBLLHZ-CABCVRRESA-N 309.409 3.994 0 40 DHAB COc1cccc(CCCNC(=S)Nc2cccc(C)c2)c1 225552141 QIEFPXWPTNVZRS-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB Cc1cc(NC(=O)/C=C/c2ccccc2)cc2sc(N)nc12 226314264 QBHMXEKMQNBZDX-BQYQJAHWSA-N 309.394 3.839 0 40 DHAB Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@H]1N 242463728 DIKKZBGQGPTGNT-VUHPKUFZSA-N 302.462 3.545 0 40 DHAB Cn1c(-c2ccccc2)csc1=NC(=O)Nc1ccccc1 334157835 KFKQKLMAZTZVJK-UHFFFAOYSA-N 309.394 3.886 0 40 DHAB CCCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615126172 JEHKKJGJIPLAIX-PBHICJAKSA-N 318.436 3.832 0 40 DHAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)cc1 251989 DGVPYFDQOBKQFI-OAHLLOKOSA-N 319.408 3.656 0 40 DHAB Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCc3ccccc3)ccc12 487972 STRMEJQYPWBYLV-CYBMUJFWSA-N 324.376 3.604 0 40 DHAB biogenic Cc1ccn2c(c1)nc(=S)n2C(=O)c1ccc(Cl)cc1 540787 YMXKSTPITXXWHO-UHFFFAOYSA-N 303.774 3.516 0 40 DHAB c1ccc(COn2c(-c3ccccc3)nc3ncccc32)cc1 1396597 MZDWLFCKPBHYQP-UHFFFAOYSA-N 301.349 3.727 0 40 DHAB CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 1433421 SQJWZSZKXPYXAM-OAHLLOKOSA-N 319.401 3.519 0 40 DHAB Cc1nc2oc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 2237893 AAYTWQSBZBPAGE-UHFFFAOYSA-N 303.749 3.584 0 40 DHAB CCC(CC)C(=O)NC(=S)Nc1ccc2nc(C)sc2c1 2659339 OVZNDNSVJARSNP-UHFFFAOYSA-N 321.471 3.854 0 40 DHAB Cc1ccc(CNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 3083847 ZUHGKTPDZPHPJC-UHFFFAOYSA-N 324.424 3.647 0 40 DHAB O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1ccc(F)cc1 3230861 YNGFLKZZUFYCLN-CMDGGOBGSA-N 315.735 3.779 0 40 DHAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 3442939 MMSKOKGZHYLZNI-LBPRGKRZSA-N 317.772 3.832 0 40 DHAB CC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1nccs1 4682106 JESHPVVTRWFMBW-NSHDSACASA-N 319.411 3.794 0 40 DHAB CCCCC(=O)Nc1nnc(-c2ccc(Br)cc2)o1 5169725 YGQBNRVYNJKXPX-UHFFFAOYSA-N 324.178 3.628 0 40 DHAB CCCc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 5258743 ZSUACPZCTXTOEL-SOLBZPMBSA-N 305.462 3.642 0 40 DHAB CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1[C@@H]2O 5813266 AMLZJBJUPQPFNG-NRFANRHFSA-N 319.404 3.842 0 40 DHAB O=C(CN1CCCC1)Nc1ccccc1Sc1ccccc1 6639443 CAUMIYXIJPXECZ-UHFFFAOYSA-N 312.438 3.872 0 40 DHAB Cc1cccc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)c1 8297501 UBOJNWBCOWGYGT-UHFFFAOYSA-N 310.378 3.590 0 40 DHAB CC(C)(C)c1csc(NC(=O)c2ccc3[nH]cnc3c2)n1 8718782 YGAPMAZGRVJNBE-UHFFFAOYSA-N 300.387 3.569 0 40 DHAB COc1cccc(CN(C)C(=O)Nc2cccc(C)c2)c1OC 9512518 NHVSHJDUSAKSJG-UHFFFAOYSA-N 314.385 3.676 0 40 DHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)s1 9959155 ULNYCOINDNPNHW-AWEZNQCLSA-N 314.410 3.684 0 40 DHAB c1ccc(CCc2nnc3sc(Cc4ccccc4)nn23)cc1 10311891 LPKWCGTVFANIEZ-UHFFFAOYSA-N 320.421 3.562 0 40 DHAB Cc1cc(C)c(S(=O)(=O)NCc2ccccc2Cl)cc1C 12291806 NFFOKUUYEKJSFS-UHFFFAOYSA-N 323.845 3.744 0 40 DHAB CSc1nc2ccc(NC(=O)c3ccncc3)cc2s1 12770656 CYEPGQFPVWHLNW-UHFFFAOYSA-N 301.396 3.666 0 40 DHAB Fc1ccccc1-c1nnc(S)n1-c1cccc2ncccc12 13548312 PUSSSUYEXUPNAA-UHFFFAOYSA-N 322.368 3.910 0 40 DHAB COc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1Cl 15841357 HIUKDVCMVHNJQS-UHFFFAOYSA-N 319.773 3.606 0 40 DHAB COc1ccc(C(=O)N2CCc3cc4cc(C)ccc4nc32)cc1 15841854 CUTBRDPJVJUPEF-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB Cc1ccc(O)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 20984154 OTEBYEAEBYBBBX-LLVKDONJSA-N 305.761 3.760 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2Br)c(C)[nH]1 24575225 WQZXAEWMKSGMSY-JTQLQIEISA-N 321.218 3.885 0 40 DHAB CC1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 26110869 FBJOETPVJTZNSQ-UHFFFAOYSA-N 322.257 3.555 0 40 DHAB CC1CCN([C@H](CNC(=O)c2ccco2)c2cccs2)CC1 27573569 JEUYGMIBMGIKLV-CQSZACIVSA-N 318.442 3.544 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1ccnn1C1CCCC1 28251223 PGCIETYOXLRYHG-UHFFFAOYSA-N 303.793 3.833 0 40 DHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)Nc1ccc(F)cc1F 28305810 CQRVSZQTDNXNLI-UHFFFAOYSA-N 314.295 3.999 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N2CCc3ccccc3C2)cc1C 32747647 HCRWHXYSVZSXHJ-UHFFFAOYSA-N 321.420 3.851 0 40 DHAB C[C@@H]1Oc2cc(Br)c(Br)cc2O[C@@H]1C 33949119 PFHMDNFRAWYOKB-OLQVQODUSA-N 321.996 3.760 0 40 DHAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 38834219 KCRGJJJZWIXVLT-QGZVFWFLSA-N 324.424 3.546 0 40 DHAB CC(C)c1nnc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 40141592 QOCSLRVETGCXKW-BDAKNGLRSA-N 321.368 3.969 0 40 DHAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccccn1 40539792 AUBWWWHBYYGKFW-RMKNXTFCSA-N 306.818 3.858 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(F)c2)on1 44966546 PCCHXSVXUIQRBU-IUODEOHRSA-N 317.364 3.730 0 40 DHAB Cc1cc([C@H]2CCCN2Cc2nc3ccccc3nc2C)on1 44975710 XXZLOHMQTQXDPC-QGZVFWFLSA-N 308.385 3.572 0 40 DHAB COc1ccccc1CN(C)C(=O)c1ccc(Cl)cc1F 51528123 FKOGSRZIKMOEQX-UHFFFAOYSA-N 307.752 3.760 0 40 DHAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCc2c(Cl)cccc21 55713330 UKVZPNUJOPDSBW-MRXNPFEDSA-N 318.804 3.681 0 40 DHAB Cc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)[nH]n1 56454993 ZIWGXUQYVWECMH-UHFFFAOYSA-N 305.381 3.580 0 40 DHAB O=C(O)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1 57800827 KBMRCODKFZNTCX-UHFFFAOYSA-N 320.270 3.802 0 40 DHAB CC[C@H](Sc1nnc(N2CCOCC2)s1)c1ccccc1 64368496 PUAGSVHWRKFXGY-ZDUSSCGKSA-N 321.471 3.618 0 40 DHAB O=C(CCc1ccc2c(c1)CCO2)Nc1ccccc1Cl 68741267 VLFMDRMWTCMMDD-UHFFFAOYSA-N 301.773 3.846 0 40 DHAB CN(C(=O)C1CCC1)[C@@H](c1cccnc1)c1ccc(F)cc1F 69518379 GNRLIQJRUQZABB-KRWDZBQOSA-N 316.351 3.708 0 40 DHAB COc1cccc2cc(C(=O)NCCc3ccc(F)cc3)oc12 73874436 JNKKOCQZFOUJKD-UHFFFAOYSA-N 313.328 3.553 0 40 DHAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCCCc1nccs1 76988483 BLJLYARSZVUWES-CVEARBPZSA-N 314.454 3.694 0 40 DHAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCc2cscn2)cc1 76996371 DNHCLYRTCLDGSS-IAGOWNOFSA-N 314.454 3.729 0 40 DHAB CC(C)CC(=O)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79495681 ZMHJZYFGELWGTI-UHFFFAOYSA-N 311.341 3.808 0 40 DHAB CCc1noc(COC(=O)c2cc3c(ccc4ccccc43)[nH]2)n1 83830519 QBDHCJWDCYPKQG-UHFFFAOYSA-N 321.336 3.624 0 40 DHAB CCCn1c(CN(C)Cc2c(C)noc2C)nc2ccccc21 91814606 BYSZFMHCZXFJPF-UHFFFAOYSA-N 312.417 3.683 0 40 DHAB O=C(NCc1nc(C2CC2)cs1)Nc1cccc2cccnc12 95420780 FYPOHXXAVLGLEX-UHFFFAOYSA-N 324.409 3.890 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NCCCc2nc(C)cs2)c1 95421633 YBEFDFNNPBNWRA-ZDUSSCGKSA-N 317.458 3.693 0 40 DHAB O[C@]12CCCC[C@@H]1CN(Cc1cccc(C(F)(F)F)c1)CC2 95967051 QMLUMZVJISHTKV-CVEARBPZSA-N 313.363 3.832 0 40 DHAB CC(C)c1nc([C@@H](C)NC(=O)CSC(C)(C)C)cs1 96406181 MTWWIFFIQCPHKR-SNVBAGLBSA-N 300.493 3.975 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)N[C@H](C)CC(C)(C)OC)c1 96434534 VRIWYGPSPNBPGB-CHWSQXEVSA-N 308.422 3.719 0 40 DHAB CCc1ccccc1N1C(=O)C[C@@H](Nc2c(C)cccc2C)C1=O 101275665 LLOPQURAICMJQX-MRXNPFEDSA-N 322.408 3.610 0 40 DHAB CCOc1ccc(CN(C)C(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 102971616 YGMORZHJFDBGKQ-INMHGKMJSA-N 318.486 3.580 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCc2[nH]c3ccccc3c2C1 103442432 ITPNFJNHVPMSOU-KKUMJFAQSA-N 308.425 3.879 0 40 DHAB S=C(NCc1ccccc1)Nc1ncc(Cl)cc1Cl 205132814 CPPHRJZIWVFUAI-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB CCOc1nc(C)c(NC(=O)Nc2ccccc2CC)c(C)n1 206719995 PIZLPILTPKIGSZ-UHFFFAOYSA-N 314.389 3.699 0 40 DHAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccccc1 224642557 IJSOJTLFAVZPCM-UHFFFAOYSA-N 308.425 3.603 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)C1(c2ccccc2)CCOCC1 225191700 GBFTYZVAGCSGIZ-INIZCTEOSA-N 321.420 3.713 0 40 DHAB COCCC1(NC(=S)Nc2ccc(Cl)cc2)CCCC1 225845236 LSNLKJLZMCOIRM-UHFFFAOYSA-N 312.866 3.976 0 40 DHAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1OC 225940464 AIQCIUCBHCRELX-UHFFFAOYSA-N 311.381 3.683 0 40 DHAB Cc1ccc([C@](C)(O)CN[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 249399783 UPACQNHDQQWHFH-MBNYWOFBSA-N 305.340 3.506 0 40 DHAB CC(=O)N1CCC[C@@H](c2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)C1 252585415 IKWHFMCPSPVMJD-BYNSBNAKSA-N 304.459 3.773 0 40 DHAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCC)OCC[C@@]31C2 257232054 GJGGVVYGCJKIFU-PVYRDQNTSA-N 307.478 3.913 0 40 DHAB C[C@H]1CCO[C@H](C(=O)Nc2ccccc2N(C)C2CCCC2)C1 585081298 UJLVVWULIDKQRO-KSSFIOAISA-N 316.445 3.819 0 40 DHAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3)CC2=O)cc1 45000 RBUKRBQQEKPQFP-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB CCN(CC)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 366494 ZHJBKURPNXFWRH-UHFFFAOYSA-N 316.637 3.677 0 40 DHAB CCc1nc(=O)c2ccccc2n1-c1cccc(C(F)(F)F)c1 481312 NBMSMCRUIFNZQC-UHFFFAOYSA-N 318.298 3.967 0 40 DHAB O=C(CN(Cc1ccccc1)C1=NCCS1)c1cccs1 509860 RUMQWXUVJAUVPK-UHFFFAOYSA-N 316.451 3.536 0 40 DHAB CSc1nc(N)c(C(=O)Nc2ccc3ccccc3c2)s1 1566688 REQFBFNWKHVVFV-UHFFFAOYSA-N 315.423 3.853 0 40 DHAB CCCCOc1c(OC)ccc2c3c(c(=O)oc12)CCCC3 1805700 GUWPAQSDMNZHFW-UHFFFAOYSA-N 302.370 3.859 0 40 DHAB CCCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@H](C)C2 2082345 OANODSZPJZZMAX-JTQLQIEISA-N 321.442 3.788 0 40 DHAB CC1(C)[C@@H](C[C@H]2OC[C@@H](CN3CCCCC3)O2)[C@H]2CC[C@@H]1C2 2293876 IUQYLYYXKZJRJM-PNKHAZJDSA-N 307.478 3.676 0 40 DHAB CC[C@@H](C(=O)OCC(=O)Nc1cccc(F)c1)c1ccccc1 3446464 SKBMCYPXWLNIMV-MRXNPFEDSA-N 315.344 3.501 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2Cl)c1 3524160 LWHUKHKPLGFPDY-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB O=C(O[C@@H]1CCCC1=O)c1c2c(nc3ccccc13)CCCCC2 3561491 JIDIYDKHYCTORA-GOSISDBHSA-N 323.392 3.782 0 40 DHAB Fc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12 4061312 NRJNMOKPGJQGRQ-UHFFFAOYSA-N 313.401 3.762 0 40 DHAB CC(C)[C@@H](CC(=O)NCc1ccco1)[C@@H]1CCOC(C)(C)C1 4063238 QDRDTGUYNYCXRZ-GDBMZVCRSA-N 307.434 3.763 0 40 DHAB biogenic Cc1cc(SCc2ccc(Cl)c(Cl)c2)[nH]c(=O)n1 4314813 AKTSYEXFYBXWKB-UHFFFAOYSA-N 301.198 3.677 0 40 DHAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(C)c(C)c3)c2c1 4487684 JRMNTYFOGMRVBQ-UHFFFAOYSA-N 322.408 3.766 0 40 DHAB biogenic Cc1ccccc1C(=O)OCc1cc2cccc(C)c2[nH]c1=O 5185249 RMGMEKSOMLRXGK-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB CCOC(=O)Nc1ccc(Br)cc1Br 5257008 BEVDUGOXLQDMDS-UHFFFAOYSA-N 322.984 3.780 0 40 DHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1F 5417963 DRHCPEMGRJKTQJ-LPHOPBHVSA-N 324.399 3.582 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1 6305430 NJQBXNUHWCDCRQ-LBPRGKRZSA-N 321.779 3.605 0 40 DHAB Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2=O)cc1 6460501 TZGOISBCJMHRDE-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB Cc1ccc(C)c(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c1 6811239 AISIVZRTXUEHIH-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 6938507 LDWCZSHKVJNSDS-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1 7055490 XBDWPBYPWDEZGZ-UHFFFAOYSA-N 317.410 3.813 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 7608282 GOJZDXOANFXJRR-ZIUDEIKKSA-N 313.441 3.847 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cn2ccc(C)cc2n1 8281185 NCSPSPWBOICQAS-UHFFFAOYSA-N 315.760 3.557 0 40 DHAB CC(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 8367647 KGNIWTTZPIENRF-UHFFFAOYSA-N 316.364 3.841 0 40 DHAB Cc1ccc(NC(=O)COc2cc(C)ccc2Cl)c(O)c1 8378852 LWDWDMHXXHAMTC-UHFFFAOYSA-N 305.761 3.680 0 40 DHAB CC(C)[C@@H]1CC[C@@](C)(C(=O)OCc2ccc3c(c2)OCO3)C1 8614341 SORXWZCCEBTRKW-RDTXWAMCSA-N 304.386 3.921 0 40 DHAB CCOC(=O)Nc1nc(C)c(C(=O)c2ccc(C)cc2)s1 8715575 QTXBENYHCMJINT-UHFFFAOYSA-N 304.371 3.559 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)c1n[nH]c2ccccc12 8746596 BHPVOJDHFCABEB-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB Cc1ccc2oc(C(=O)N3CCCc4ccccc43)cc(=O)c2c1 8843778 PTSJLZNMZZWVHP-UHFFFAOYSA-N 319.360 3.694 0 40 DHAB NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 8867289 ACKQGQDYPGENNA-UHFFFAOYSA-N 319.389 3.853 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)c1 8944386 AGUASBCDDPTOBT-VXGBXAGGSA-N 324.380 3.782 0 40 DHAB CCOc1ccccc1NC(=O)c1ccc(Cn2cccn2)cc1 10642396 JCXVBHSPTOOVKX-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB COC(=O)c1ccc(OC)cc1OCc1cccc2cccnc12 10902672 HAJUEXXLIDPTFW-UHFFFAOYSA-N 323.348 3.609 0 40 DHAB O=C(Nc1ccc(N2CCOCC2)cc1)C1=C(Cl)CCCC1 11328530 PIXXIEHZZXLMHX-UHFFFAOYSA-N 320.820 3.529 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSC1=NCCS1 12603815 HIMNLMQMSZFMPO-UPJWGTAASA-N 315.504 3.826 0 40 DHAB CCOCCCNC(=O)c1cccc2c3c([nH]c12)CCCCC3 12933775 KLETUHPWHJNYCS-UHFFFAOYSA-N 314.429 3.593 0 40 DHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1 13688992 RGNWAZONWULDLY-OAHLLOKOSA-N 305.377 3.924 0 40 DHAB CC[C@@H](C)c1ccc(NC(=S)NC2CCN(C)CC2)cc1 13775553 QJKVYXBBYWHJTG-CYBMUJFWSA-N 305.491 3.581 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1cc2nccc(C3CC3)n2n1 13961028 BCZXIJOXGPVFCI-UHFFFAOYSA-N 312.760 3.512 0 40 DHAB CC(=O)c1cccc(NC(=O)CN(C)[C@H](C)c2cccs2)c1 14109089 GRGULULOZBYFHY-GFCCVEGCSA-N 316.426 3.582 0 40 DHAB Cc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2)o1 14779541 IAASLAYRHQYZPS-UHFFFAOYSA-N 320.392 3.899 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 16022428 FESYATFUEUDPFU-XUXNNNHQSA-N 317.404 3.678 0 40 DHAB CCCCC[C@H](C)NC(=O)Cc1cnc(-n2cccc2)s1 20734436 VAYUOXCECZFWMB-ZDUSSCGKSA-N 305.447 3.561 0 40 DHAB CCc1nnc(NC(=O)c2sc3ccccc3c2C)s1 21288868 LIVPVMGLNPBXLS-UHFFFAOYSA-N 303.412 3.876 0 40 DHAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)s1 21806008 BEKCDFHTPCCJLP-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB CC(=O)c1cccc(NC(=O)CC2(CC(=O)O)CCCCC2)c1 24150641 VDPADGZYBGYMGW-UHFFFAOYSA-N 317.385 3.643 0 40 DHAB O=C(O)c1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1 25763363 SQPFUMCXWJCFAI-UHFFFAOYSA-N 318.328 3.775 0 40 DHAB COc1ccc(-n2ccnc2S[C@H]2CCCCCC2=O)cc1 26048899 IDARTZIDWUKOKP-INIZCTEOSA-N 316.426 3.875 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)NCCc1ccccc1 26518004 KKCJTMYGISQWHY-UHFFFAOYSA-N 308.834 3.786 0 40 DHAB Cc1cccc(C(=O)N[C@@H](C)c2cccc(Br)c2)n1 27734653 WBOFMFXJABSGHY-NSHDSACASA-N 319.202 3.644 0 40 DHAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccn1 28269665 QVRALVKCCRMTHS-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB Cc1cccc(OCCCNC(=O)N[C@H](C)c2cccs2)c1 29732659 HVPRDWLEDLXYPH-CQSZACIVSA-N 318.442 3.886 0 40 DHAB CC(C)(C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 30860633 QABRKYUPTCGXMJ-UHFFFAOYSA-N 308.425 3.778 0 40 DHAB Cc1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2c(C)noc2n1 36353243 XJZVJMQDKPFRJI-UHFFFAOYSA-N 306.325 3.573 0 40 DHAB CCc1ccc2oc(C(=O)Nc3nnc(CC)s3)c(C)c2c1 40038028 AJIVVMNVBJYMLE-UHFFFAOYSA-N 315.398 3.970 0 40 DHAB O=C(NCc1cccc(COCc2ccco2)c1)c1ccccc1 40089377 YBUBVBUOTIOAGW-UHFFFAOYSA-N 321.376 3.926 0 40 DHAB Cc1cc([C@@H]2CCCN2Cc2nc3ccccc3nc2C)on1 44975707 XXZLOHMQTQXDPC-KRWDZBQOSA-N 308.385 3.572 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1ccccn1 48234311 GOEVNQXKUAOBJH-WFASDCNBSA-N 315.442 3.923 0 40 DHAB Cc1cc([C@@H]2CCCN2CCCc2nc3ccccc3o2)on1 48278795 QGQDLLMXKKCROX-HNNXBMFYSA-N 311.385 3.894 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)N1CCc2sccc2[C@@H]1c1cccs1 48303219 FNKHBEFLHCLJSK-IFUGULHKSA-N 303.452 3.940 0 40 DHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 48331751 YSOKLTXJJVGHJR-GDBMZVCRSA-N 314.429 3.644 0 40 DHAB Cc1cnc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)s1 49211365 AZZNYCNGOHWCDR-LBPRGKRZSA-N 307.806 3.914 0 40 DHAB O[C@H](CN1CC=C(c2ccccc2)CC1)c1c(F)cccc1F 51112471 GBHPGXPHFGQAAI-GOSISDBHSA-N 315.363 3.788 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)cc1OC 54363365 VYURTVRKDKJWTA-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979481 XENPZQQZPKIHNP-ONGXEEELSA-N 318.760 3.780 0 40 DHAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(Cl)c1N(C)C 58426323 FNLRKJBLCHOOSL-VIFPVBQESA-N 321.808 3.753 0 40 DHAB CCN(CC)CCOc1ccccc1NC(=O)C[C@H]1C=CCC1 58612991 HKJNTLKUTJGAOE-INIZCTEOSA-N 316.445 3.702 0 40 DHAB CN(CCCc1nc2ccccc2[nH]1)C(=O)C=C1CCCCC1 65899661 XNCUHUDLYOHDRG-UHFFFAOYSA-N 311.429 3.844 0 40 DHAB O=C(CC1CCCC1)N1CCC[C@H]1c1cccc2c1OCCO2 66771116 TYTKEUNKTFGLHG-INIZCTEOSA-N 315.413 3.702 0 40 DHAB COc1ccc(N(C(=O)c2cnc(C)s2)C(C)C)cc1F 69485363 QMUUCIXALGTGDQ-UHFFFAOYSA-N 308.378 3.654 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC 72214790 LKDPMAMQXKACMM-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB CS[C@H](C)c1cccc(NC(=O)NC[C@@H](C)C[C@H](C)O)c1 77705273 QYFHDKGKTSSIOP-RWMBFGLXSA-N 310.463 3.639 0 40 DHAB CCOC(=O)[C@@H](C)C[C@H](N)Cc1ccc(-c2ccccc2)cc1 78827658 OKDSPZRSANXDRL-KXBFYZLASA-N 311.425 3.813 0 40 DHAB C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CN(C)C 81281769 WKCZUTDULHSPIE-YRYLYKBFSA-N 322.452 3.991 0 40 DHAB CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C(=O)OC)s1 84721679 FXHYPQJUDALXKX-VXGBXAGGSA-N 309.431 3.576 0 40 DHAB Cc1ccc(N[C@@H](C)c2cccc(F)c2)cc1NS(C)(=O)=O 95404402 VHVXSYJOSGSATK-LBPRGKRZSA-N 322.405 3.679 0 40 DHAB C[C@H](NC(=O)[C@H](C)C1CCOCC1)c1nc(C(C)(C)C)cs1 95439499 USJQZWLCFZVUCQ-NEPJUHHUSA-N 324.490 3.681 0 40 DHAB COc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)c2ccccc12 95968453 RXBGKKFICYEPCW-KGLIPLIRSA-N 309.413 3.994 0 40 DHAB COC[C@](C)(NCc1ccc(-n2cccn2)cc1)c1ccccc1 96013792 PWCVXWKETFGQHO-FQEVSTJZSA-N 321.424 3.524 0 40 DHAB Cc1ncccc1CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 97032589 FFQPJZBUPVSNPV-MRXNPFEDSA-N 306.413 3.646 0 40 DHAB CC(C)C[C@H](C)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 97143135 SCJSHYMJUFKCDR-XIRDDKMYSA-N 304.434 3.641 0 40 DHAB COc1cc(C)ccc1N1C(=O)C[C@@H]([C@@H](C)c2ccccc2)C1=O 101626432 MHGJUSXABUQKSX-HOCLYGCPSA-N 323.392 3.687 0 40 DHAB COc1ccc(N(C(=O)c2cscn2)[C@@H](C)C2CC2)cc1 103005409 FUDPDHSMEZDYLA-NSHDSACASA-N 302.399 3.597 0 40 DHAB c1csc(-c2nc(CN3CCO[C@@H]4CCCC[C@H]43)co2)c1 106826441 FSQVYMGPENJHLL-ZIAGYGMSSA-N 304.415 3.547 0 40 DHAB Cc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c1 113946525 KIXKOCOHSXHEIQ-UHFFFAOYSA-N 311.425 3.988 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cc2ccccc2o1 219947790 LSGHHCWYPKWFTE-CQSZACIVSA-N 309.365 3.939 0 40 DHAB CNC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 225476584 BVGUHUYDAUQRLH-UHFFFAOYSA-N 310.184 3.679 0 40 DHAB CC(=O)N1CCC[C@H](c2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)C1 252585417 IKWHFMCPSPVMJD-ZQDZILKHSA-N 304.459 3.773 0 40 DHAB O=C(O)Cc1c(-c2ccccc2)oc2c1c(=O)oc1ccccc12 524730922 CJRJWFIKCUNOPZ-UHFFFAOYSA-N 320.300 3.833 0 40 DHAB biogenic O=C(CSC[C@H]1CCCCO1)Nc1cc(C2CCCC2)no1 585124823 UWESZJSLUKVSIZ-CYBMUJFWSA-N 324.446 3.573 0 40 DHAB O=C(N[C@H]1CCC12CCOCC2)C1(c2cccs2)CCCC1 585408412 IUKDMISNBXUDBD-AWEZNQCLSA-N 319.470 3.635 0 40 DHAB CCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 190316 OCEYGHBWKIPNAZ-UHFFFAOYSA-N 301.415 3.584 0 40 DHAB CC(C)CCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 299306 KMAOKULMVSSRTJ-UHFFFAOYSA-N 322.880 3.714 0 40 DHAB CCOc1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 363044 SPHIJGWULQPTEU-UHFFFAOYSA-N 324.332 3.719 0 40 DHAB Cc1cccc(NC(=S)NC(=O)/C=C/c2cccs2)c1C 556230 AYKCBJBDUXXCFS-CMDGGOBGSA-N 316.451 3.891 0 40 DHAB COc1cc(O)ccc1[C@H]1Nc2c(C)cccc2-c2cc(C)nn21 818142 TYRDAKLSUWIQKZ-IBGZPJMESA-N 321.380 3.854 0 40 DHAB C[C@H]1CCCCN1C(=O)COc1ccc(Cl)cc1Cl 830001 CSHQNBUEFJQXNP-JTQLQIEISA-N 302.201 3.773 0 40 DHAB CSc1ccccc1NC(=O)CN1c2ccccc2C[C@H]1C 2627653 ZOLOPGNXSFDQJO-CYBMUJFWSA-N 312.438 3.798 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)c1ccc(Cl)cc1 3240780 WXLRFPFDASKFFY-GFCCVEGCSA-N 318.756 3.533 0 40 DHAB C[C@H]1CCc2ccc(CC[C@@H](C)O)cc2N1C(=O)c1ccccc1 3844788 CACXCWDOGLCTAA-JKSUJKDBSA-N 323.436 3.982 0 40 DHAB biogenic Cc1cccc(CSC2=NCCN2C(=O)C2CCCC2)c1 4120174 WNPWAVLFNXPXDE-UHFFFAOYSA-N 302.443 3.617 0 40 DHAB CN1CCC([C@H]2COC2(c2ccccc2)c2ccccc2)CC1 4395597 PYYYJPPJCMMYFY-HXUWFJFHSA-N 307.437 3.918 0 40 DHAB CSc1ccc(/C=C/C(=O)OCc2c(C)noc2C)cc1 4891468 WIMLMZIECGETSB-RMKNXTFCSA-N 303.383 3.770 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc(C)c1C 5375252 DLGBDDPBBQPZFF-KRWDZBQOSA-N 313.353 3.602 0 40 DHAB Cc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1 6152075 RPKJDTMUXYJNLV-UHFFFAOYSA-N 311.381 3.726 0 40 DHAB CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2cccs2)cc1 6220539 TVBZKYCWEYHIGR-GFCCVEGCSA-N 317.410 3.597 0 40 DHAB CC[C@H](OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1 6355969 FWILNCFMKJDLDO-NBMJBFSESA-N 305.462 3.778 0 40 DHAB O=C1C[C@H](c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1 6662612 WURMLIHQUPDWQX-CQSZACIVSA-N 306.340 3.924 0 40 DHAB Cc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1 6816095 KRAVHARVEDUATR-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(Cl)cn1 7483822 XWRZUTGBSDSDEH-NSHDSACASA-N 324.808 3.576 0 40 DHAB C[C@]12CCC(=O)O[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 8299076 QTBANSSXVTZHMD-IADIPTBJSA-N 306.446 3.686 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2cccc(OC)c2)c1 9113054 TWZAXFDQBHGZJF-UHFFFAOYSA-N 314.341 3.516 0 40 DHAB CCCCN1C(=O)CCc2cc(NC(=O)C(C)(C)C)ccc21 9136841 UYWNDOLMTAWDSI-UHFFFAOYSA-N 302.418 3.751 0 40 DHAB COc1ccccc1N[C@@H](C)c1nnc(-c2cccs2)o1 9378740 KPESEMOFJBISQD-JTQLQIEISA-N 301.371 3.980 0 40 DHAB CC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 9462574 GVVKZYQULKPFCN-UHFFFAOYSA-N 320.392 3.717 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(OC(F)F)cc1 11749488 SMOXCEHYCMOOQS-UHFFFAOYSA-N 317.335 3.750 0 40 DHAB CC1=C[C@@](O)(c2ccccn2)[P@@](=O)(c2ccccc2)C=C1C 13213207 PJICAWSJXGVEIJ-AVRDEDQJSA-N 311.321 3.779 0 40 DHAB Cc1ccc(N2CCN(C(=O)Nc3ccccc3)C[C@H]2C)cc1 13320251 MZENGWNLTXJYIP-MRXNPFEDSA-N 309.413 3.738 0 40 DHAB COc1ccc(NC(=O)COc2ccc(C)cc2)c2cccnc12 15840605 SXAQGNOSQFGGJM-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB O=c1cc(-c2ccc(Cl)cc2Cl)nc2n1CCCCC2 16769168 UQXFJYGSVRQPSG-UHFFFAOYSA-N 309.196 3.944 0 40 DHAB Cc1cccc(-c2nc(CC(=O)Nc3ccccn3)cs2)c1 21893956 HJMGQPOKVVNMDI-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1OC 22518063 SDKIJDRTVMWLNA-HNNXBMFYSA-N 303.333 3.630 0 40 DHAB Cc1ccc(-n2ncc3c(NC(C)(C)C)ncnc32)cc1Cl 28406046 UGTYJHOAJRUAOK-UHFFFAOYSA-N 315.808 3.988 0 40 DHAB CCSc1ccccc1NC(=O)COc1ccccc1OC 30752645 RECFRATXZDBPQK-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB COc1ncccc1C(=O)Nc1ccc2oc(C(C)C)nc2c1 32818790 WYRROCCNFNKTCH-UHFFFAOYSA-N 311.341 3.607 0 40 DHAB C[C@]12CCC(=O)C(O)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36289469 OSVMTWJCGUFAOD-YJBRQLBASA-N 302.414 3.973 0 40 DHAB C[C@@H](NC(=O)CN(C)[C@H](C)c1ccccc1)c1cccs1 36476325 QTXCCJLRZSRDRE-ZIAGYGMSSA-N 302.443 3.618 0 40 DHAB CC(=O)Nc1nc(-c2sccc2Br)cs1 39331978 ZIKKRIKOWGZEHR-UHFFFAOYSA-N 303.206 3.593 0 40 DHAB O=C(NCc1csc(Br)c1)C1CCCCC1 40090939 NKROUCGKXAAGRS-UHFFFAOYSA-N 302.237 3.707 0 40 DHAB CC(C)Oc1cccc([C@@H](C)NC(=O)CCc2cccnc2)c1 40107194 CTLNPOQBASYBRD-OAHLLOKOSA-N 312.413 3.679 0 40 DHAB COC(=O)c1cc(-c2cccc(Cl)c2)nc2onc(C)c12 40154896 NSXFADVRRBCQPO-UHFFFAOYSA-N 302.717 3.638 0 40 DHAB Cc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1C 40515644 NJCQTRDETCNXSG-UHFFFAOYSA-N 301.390 3.771 0 40 DHAB Cn1ccnc1[C@@H](NCc1ccc(F)cc1)c1cccc(F)c1 42203961 QSRQMMYEAKXJGH-KRWDZBQOSA-N 313.351 3.578 0 40 DHAB COCCOc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1 44300823 SDQZXSIJNIBENK-LBPRGKRZSA-N 320.414 3.656 0 40 DHAB COc1ccc(OCC(=O)NCc2ccc3ccccc3c2)cc1 45201317 MFRXYKYPGJGPJR-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB FC(F)(F)c1ccnc(NCc2cc(-c3ccccc3)no2)n1 45802207 TVGNENHLRCPQDJ-UHFFFAOYSA-N 320.274 3.763 0 40 DHAB O=C(Nc1cccc(CN2CCCCC2=O)c1)C1CCCCC1 50474821 MLWWAFWSAFNSIJ-UHFFFAOYSA-N 314.429 3.718 0 40 DHAB COc1ccc(N(C)C(=O)c2ccc3ccccc3n2)cc1OC 58202984 ZCQSOBTXIVJUIK-UHFFFAOYSA-N 322.364 3.529 0 40 DHAB CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 68708943 VEVRPWOVEZKKPT-CZUORRHYSA-N 320.408 3.873 0 40 DHAB C[C@@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)n1ccnc1 69443181 ONIFCTRDBRFBAD-INIZCTEOSA-N 319.408 3.770 0 40 DHAB Cc1cnn([C@H]2CCCN(C(=O)c3cc4cccc(C)c4o3)C2)c1 71870931 GDQSFSULLCCYSE-INIZCTEOSA-N 323.396 3.723 0 40 DHAB Cc1c(NC(=O)C[C@@H]2CCCc3ccccc32)cccc1C(N)=O 71888042 LYLBOWLQZHBMAX-HNNXBMFYSA-N 322.408 3.543 0 40 DHAB C[C@H](Oc1ccccc1NC(=O)[C@H]1CCCO1)c1ccccc1 79360316 AFBPGPBLZDLZCW-KBXCAEBGSA-N 311.381 3.944 0 40 DHAB CCCCCn1cc(C(=O)NCCCOC)c2ccccc21 95464462 MAMGGNNTBRWHNB-UHFFFAOYSA-N 302.418 3.598 0 40 DHAB CC[C@H](C)C[S@@](=O)Cc1ccc(-n2nc(C)cc2C)cc1 97115183 ZAKYDIKZQJDHGA-ZSEKCTLFSA-N 304.459 3.784 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccc(N(C)C)cc3)[C@H]1[C@@H]2C 100494903 ARHZHRUTGKCDRK-LGEIONFXSA-N 315.457 3.651 0 40 DHAB C[C@H]1CCN(S(=O)(=O)c2cccs2)[C@H](c2ccco2)C1 173253333 AQBMYWVQNNBJBP-RYUDHWBXSA-N 311.428 3.503 0 40 DHAB O=C(Nc1cccnc1-c1ccc(Cl)s1)c1cnccn1 187113882 DKGPJCCCRFBVQU-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB CCOc1ccc(C(=O)NC)cc1COc1ccc(Cl)cc1 224495724 PHDLIJUCCDQADG-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB CCOc1ccc(NC(=O)c2cc(Cl)ccc2OC)c(N)c1 226349665 PJDKFSPVQZBEBD-UHFFFAOYSA-N 320.776 3.582 0 40 DHAB COC(=O)c1cn(CCCOc2ccccc2)c2ccccc12 409201168 WBGOBHVMUXYMTE-UHFFFAOYSA-N 309.365 3.897 0 40 DHAB COCC1(Cc2nc(-c3cccc(C(C)(F)F)c3)no2)CC1 515300235 LEQFQDDDNFFEMP-UHFFFAOYSA-N 308.328 3.817 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)o1)NCc1cccs1 575610163 LETUKUILOMTMFQ-UHFFFAOYSA-N 302.355 3.601 0 40 DHAB COCC[C@@H]1CCOC12CCN(Cc1cccc(Cl)c1)CC2 585104151 GHTZCFQADSNIPS-MRXNPFEDSA-N 323.864 3.748 0 40 DHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cccc(-c3ncc[nH]3)c2)cc1 585124209 CBMZGTUVRQQXMJ-IFXJQAMLSA-N 319.408 3.793 0 40 DHAB Fc1ccc([C@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 221835 JCBBNHRCHPMKOX-CHWSQXEVSA-N 300.362 3.625 0 40 DHAB CCN(Cc1ccccc1)C(=O)Cn1cc(C=O)c2ccccc21 264073 JGEGYSXCIJJOHC-UHFFFAOYSA-N 320.392 3.503 0 40 DHAB O=C(COc1ccccc1)Nc1ccc(Br)cc1F 562916 NDUHGHLDZBSVHD-UHFFFAOYSA-N 324.149 3.606 0 40 DHAB Cc1ccc(C(=O)CN(Cc2ccccc2)C2=NCCS2)cc1 3168310 GRAZTOJQZSYCJH-UHFFFAOYSA-N 324.449 3.783 0 40 DHAB Cc1csc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)n1 3405512 RKCXADFPHKPACJ-JTQLQIEISA-N 310.419 3.560 0 40 DHAB COc1ccc(CCC(=O)Nc2cccc(C)c2C)cc1OC 3482011 PVIGGRLDIPKEON-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB Cn1c(C(=O)NCc2ccc(F)cc2)cc2cc(Cl)ccc21 4677211 LFDMTOXXUOQUDA-UHFFFAOYSA-N 316.763 3.901 0 40 DHAB CC1(C)Cc2c(c(-c3ccccc3)nc3[nH]nc(N)c23)CS1 4730651 WYRDYQOIAHURCN-UHFFFAOYSA-N 310.426 3.775 0 40 DHAB CC(C)CC(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152745 FOORDFFKVJSPOF-QGZVFWFLSA-N 312.413 3.546 0 40 DHAB CCOc1ccc(C(=O)CCN2CCCCCC2)cc1OCC 5316953 UZQLEKMLFCGKPH-UHFFFAOYSA-N 319.445 3.933 0 40 DHAB CCSc1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 5443182 BBBYOAVEXNBILW-UHFFFAOYSA-N 323.443 3.690 0 40 DHAB COc1ccc(C(=O)Nc2ccc(C)cc2Cl)c(OC)c1 6272381 BKBDPMFODSFIGC-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB COc1ccc2c(CN3CCCCCCC3)cc(=O)oc2c1 6628050 FAYZPXRTLQYWBU-UHFFFAOYSA-N 301.386 3.568 0 40 DHAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(N2CCCC2)cc1 7383389 RWPSTRVGEXXSIB-UHFFFAOYSA-N 324.380 3.546 0 40 DHAB Cc1ccc(NCC(=O)Nc2ccc(OC(F)F)cc2)c(F)c1 7973968 FLUQSVTXVRHDRJ-UHFFFAOYSA-N 324.302 3.786 0 40 DHAB CC(=O)c1sc(-c2cccc(NC(=O)C3CC3)c2)nc1C 8042040 YQKGIXKVDYWIMR-UHFFFAOYSA-N 300.383 3.670 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)c1 8075485 QMSFOYUNTGBIPC-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB O=C(NCCc1cccc(Cl)c1)NCc1ccc(F)cc1 9868288 BBUQCHPUGGPBIA-UHFFFAOYSA-N 306.768 3.521 0 40 DHAB COc1ccc(CN(C)C(=O)Cc2ccc(Cl)cc2)cc1 10331611 KKVGXRNXLNHQDC-UHFFFAOYSA-N 303.789 3.550 0 40 DHAB COc1cc2nc(Cl)nc(N3CCCC[C@@H]3C)c2cc1OC 11756896 YOIHZVPHRVHXND-JTQLQIEISA-N 321.808 3.679 0 40 DHAB CCc1cccc(CC)c1NC(=O)CSc1cc(C)ncn1 12016824 LOPZQGAQJREBIZ-UHFFFAOYSA-N 315.442 3.641 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)on1 12422393 UXWCOLLFHSLGLT-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB CCC(C)(C)NC(=O)CCCSc1nc2ccccc2[nH]1 12508081 DYOLNXOEZJXHFJ-UHFFFAOYSA-N 305.447 3.740 0 40 DHAB CC[C@H](C)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 12975639 CHJAFUZNJJHIMP-NWDGAFQWSA-N 303.381 3.543 0 40 DHAB COCc1cccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 14199396 RBRFDVWJQKUMSO-UHFFFAOYSA-N 323.348 3.500 0 40 DHAB Cn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 17052459 MFAWAECOFWESPQ-UHFFFAOYSA-N 313.401 3.837 0 40 DHAB CCc1nn2c(O)cc(-c3ccccn3)nc2c1-c1ccccc1 19521411 QYSAPTJXXBNNSH-UHFFFAOYSA-N 316.364 3.726 0 40 DHAB CC(=O)NCCCCCc1nc2ccccc2n1CC(C)C 20868240 RIGIXVOWRZCOKJ-UHFFFAOYSA-N 301.434 3.541 0 40 DHAB CSc1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O 22233980 AZXTVRZCCHGDEA-UHFFFAOYSA-N 310.378 3.502 0 40 DHAB O=C(Nc1ccccc1N1CCCC1)c1cc(F)ccc1F 22741378 WSYRVVOEUSRZAF-UHFFFAOYSA-N 302.324 3.817 0 40 DHAB COc1ccc2nc(C(=O)NC[C@H](C)c3ccccc3)ccc2c1 26072217 SWYIKSYQMHZXLX-AWEZNQCLSA-N 320.392 3.777 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1 30232245 KAHPNBPSRJXSNQ-ZDUSSCGKSA-N 302.399 3.511 0 40 DHAB CSCc1cccc(C(=O)N2CCn3c2nc2ccccc23)c1 30661342 UMLPSPCTCRDBKJ-UHFFFAOYSA-N 323.421 3.560 0 40 DHAB OC1=Nc2c(ncn2-c2ccccc2)[C@H](c2ccc(O)cc2)C1 32101613 GVPHMENMMUGHQU-HNNXBMFYSA-N 305.337 3.702 0 40 DHAB COc1ccc([C@@H]2CCCN2Cc2c(C)noc2C)c(OC)c1 32751528 LYCTYTMDSVDXRJ-KRWDZBQOSA-N 316.401 3.646 0 40 DHAB COC[C@H](C)NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 32901792 WDMIHTDHNVXKSH-OANVXVOSSA-N 319.401 3.719 0 40 DHAB Cc1ccc2oc3nn(-c4ccc(F)cc4F)c(=O)c-3cc2c1 33020938 RGFKWROGTINEAX-UHFFFAOYSA-N 312.275 3.670 0 40 DHAB O=C(Nc1cccc(CN2CCCC2)c1)c1cc(F)cc(F)c1 40086935 LAWDIJMOGGDKOI-UHFFFAOYSA-N 316.351 3.813 0 40 DHAB Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 43747480 ZQMQDXWWOJKSLC-HNNXBMFYSA-N 322.408 3.613 0 40 DHAB CCOc1cccc(CNC(=S)Nc2ccccc2F)c1 44155679 YYWUIEPUGPSZDU-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccsc1)C1CC1 44446764 ALAMFWWSMLPYAZ-UHFFFAOYSA-N 316.382 3.673 0 40 DHAB CCCOc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 44845306 PTPVPZYAGSWYKG-UHFFFAOYSA-N 302.349 3.936 0 40 DHAB CCc1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)s1 48664628 LHGNWEISKPQSLH-UHFFFAOYSA-N 308.424 3.567 0 40 DHAB CCCCOc1cccc(C(=O)Nc2ccc(OC)c(N)c2)c1 57340423 BQWMFIFMDCBRQS-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N(C1CC1)[C@@H](C)c1ccccn1 57513695 SZYNFVKSHCISFP-HOTGVXAUSA-N 324.424 3.739 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1nnc(C2CC2)s1 58162712 QEVAXGFWJIEUGD-KGYLQXTDSA-N 322.478 3.998 0 40 DHAB CCOC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1 58620616 FJVWGQZSQPPFBJ-UHFFFAOYSA-N 324.424 3.717 0 40 DHAB CC(C)(C)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 60237931 QGFMTFCGBFNMNG-UHFFFAOYSA-N 309.409 3.951 0 40 DHAB Cn1cc(-c2nc(COc3ccc4ncccc4c3)cs2)cn1 65948310 AXEDYJRSAWNIOD-UHFFFAOYSA-N 322.393 3.671 0 40 DHAB COc1ccccc1[C@H]1CCCN1C(=O)Cc1cccs1 68814036 GCDXAQMIBWKZQA-OAHLLOKOSA-N 301.411 3.663 0 40 DHAB Cc1nnc([C@@H](C)NCC2(c3c(F)cccc3F)CCCC2)o1 71902653 KDPBXIBOXGZROA-LLVKDONJSA-N 321.371 3.819 0 40 DHAB CCOc1ccc(CNC(C)(C)c2noc(C(C)(C)C)n2)cc1 78555845 IRRCZBGILRPTBW-UHFFFAOYSA-N 317.433 3.791 0 40 DHAB O=C(c1cc2ccccc2s1)N1CC[C@@H](Oc2cccnc2)C1 79110874 PIVQCYSIEJHZMP-OAHLLOKOSA-N 324.405 3.590 0 40 DHAB Cc1ccc(OCCN2C(=O)[C@H](C)CNc3ccccc32)cc1C 82087117 MILDQDQENOAQPF-MRXNPFEDSA-N 324.424 3.777 0 40 DHAB Cc1cc(N[C@H]2CCC(C)(C)c3ccccc32)n2ncnc2n1 84109975 HTJXJPKUQWRNFW-HNNXBMFYSA-N 307.401 3.657 0 40 DHAB c1ccc(C2(CNc3nc4ccccc4o3)CCOCC2)cc1 84525224 DEBFUWLYRKRGOO-UHFFFAOYSA-N 308.381 3.988 0 40 DHAB Cc1nc(C[S@](=O)Cc2cc(-c3ccccc3)no2)cs1 89712526 ZOUXMFDIDZQOCL-OAQYLSRUSA-N 318.423 3.555 0 40 DHAB CC(=O)N(C)c1ccccc1NCc1csc(C(C)C)n1 89893564 FUSZMMKCEUHRDB-UHFFFAOYSA-N 303.431 3.861 0 40 DHAB C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(SC(F)F)cc1 95419737 NJFKIUJRPMXIFZ-ZWNOBZJWSA-N 313.369 3.979 0 40 DHAB COc1ccc(C2(c3cc(Br)ccn3)CC2)cc1 95629704 BHFAEKNZRZJHND-UHFFFAOYSA-N 304.187 3.933 0 40 DHAB CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc3ccccc23)C1 95752316 QHZMWAONXYUNDQ-QGZVFWFLSA-N 312.413 3.721 0 40 DHAB COCCC(C)(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1 95940112 RFNBDRZFYULCGP-UHFFFAOYSA-N 318.244 3.715 0 40 DHAB CCN(CC)CCN[C@H](C)c1cc(Cl)c(N)c(Cl)c1 95976390 QCRBTYKRRSWVGY-SNVBAGLBSA-N 304.265 3.568 0 40 DHAB COC(=O)C1CCC(C(=O)N(c2ccc(F)cc2)C(C)C)CC1 95985541 FVLRZOYPWCQFJA-UHFFFAOYSA-N 321.392 3.547 0 40 DHAB CCn1c(C)nnc1CN[C@@H](c1cccc(F)c1)C1CCCC1 95985772 BBTBYOROXOPOJL-GOSISDBHSA-N 316.424 3.767 0 40 DHAB CC[C@H](c1ccccc1)c1nnc(NCc2c(C)noc2C)o1 95992353 GFABBNHHCLSZMQ-CQSZACIVSA-N 312.373 3.828 0 40 DHAB Cc1ccc(C)c(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 102179677 UFUZRXUTDKLBTE-HRCADAONSA-N 315.413 3.611 0 40 DHAB C[C@@H](C(=O)NCc1nc(-c2ccncc2)cs1)c1ccccc1 182601887 APQXWVLXOJAZFS-CYBMUJFWSA-N 323.421 3.625 0 40 DHAB CCOc1cc(CO)ccc1OC(=O)c1cccc2ccccc12 216776576 PJMAVDSBBLFHCG-UHFFFAOYSA-N 322.360 3.950 0 40 DHAB CCCOc1ccc(C(=O)N(C)Cc2ccc(OC)cc2)cc1 218980158 ZUZWCDABQKETHK-UHFFFAOYSA-N 313.397 3.756 0 40 DHAB COc1cccc2c1N([C@@H](C(=O)O)C(C)C)C(C)(C)C[C@@H]2C 223210498 DZRXVEJZEHETKA-SWLSCSKDSA-N 305.418 3.897 0 40 DHAB Cc1cc(Cl)ccc1C[C@@H](OCc1ccccc1)C(=O)O 225076283 LHULDFTXAXTKBY-MRXNPFEDSA-N 304.773 3.861 0 40 DHAB CCCCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225379116 RCGLDCPTQINHSR-UHFFFAOYSA-N 319.474 3.598 0 40 DHAB COc1ccc(NC(=S)NC2(C(C)C)CCCC2)c(OC)c1 225849016 GTBGABUANOSFOG-UHFFFAOYSA-N 322.474 3.959 0 40 DHAB C[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc3c2CCCC3)C1 225855803 BSSFHXIWHZBOMI-LSDHHAIUSA-N 301.430 3.591 0 40 DHAB Cc1cnc(C2(C)CCN(C(=O)c3cccs3)CC2)s1 257241647 HYXQRRHOGYVGJS-UHFFFAOYSA-N 306.456 3.707 0 40 DHAB Cc1nc2ccccc2c(C)c1C(=O)NCC[C@@H]1CCCCO1 281419843 ZXBIMHWTPSTORG-HNNXBMFYSA-N 312.413 3.541 0 40 DHAB C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1ccnc(O)c1 585116951 NFTYIHNFJZUUEI-SNVBAGLBSA-N 316.792 3.510 0 40 DHAB Cc1csc(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)c1 585286715 UJGXPCNNLALHOK-SUMWQHHRSA-N 307.459 3.866 0 40 DHAB COc1ccc(-c2cccc([C@H](O)c3cccc(F)c3)c2)cn1 1527290853 NMNKKVFVBANTIP-IBGZPJMESA-N 309.340 3.978 0 40 DHAB C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCc1cccc(O)c1 1528094636 LKMJDCXXTVKEFB-AAEUAGOBSA-N 315.335 3.514 0 40 DHAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCCC1 217799 BFVACIPUTIKBNM-UHFFFAOYSA-N 303.365 3.533 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2ccc(C)c(Cl)c2)c1 361997 IZIFURIOEMPMLV-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB Cc1cccc(OC[C@@H](O)Cn2c(C(C)C)nc3ccccc32)c1 787270 PLWIRRGNHDOSSH-INIZCTEOSA-N 324.424 3.908 0 40 DHAB Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1C(C)C 3318544 BSVJMTIVIGIIAV-UHFFFAOYSA-N 317.410 3.975 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)Cn1ccc2ccccc21 4598820 UYUFBSBPTYTHEF-INIZCTEOSA-N 306.409 3.779 0 40 DHAB O=c1ccc(C(F)(F)F)cn1Cc1nc2ccccc2s1 5266814 PDIWZSBPFCSFJW-UHFFFAOYSA-N 310.300 3.525 0 40 DHAB Cc1cccc(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)c1 5364262 GKEPMVYXRHZLMX-UHFFFAOYSA-N 323.179 3.653 0 40 DHAB COc1ccccc1NC1=NN=C(c2ccc(F)cc2)CS1 5895286 VZLWEBNBMLKZEF-UHFFFAOYSA-N 315.373 3.753 0 40 DHAB CC(C)=CCSc1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1 5954543 VPCCMLGDZXZDKH-SNVBAGLBSA-N 313.423 3.714 0 40 DHAB COc1cccc(OCC(=O)Nc2cccc3c2CCCC3)c1 6647451 QVAQYGZRKYIXQQ-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB O=c1c2ccccc2cnn1Cc1ccc(Cl)c(Cl)c1 7814222 SAQBZQWATGILNU-UHFFFAOYSA-N 305.164 3.752 0 40 DHAB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)o1 7967682 HVZRDEVAZXXOKS-FNORWQNLSA-N 300.339 3.956 0 40 DHAB C[C@@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)N1CCCC1 8326903 YDUKZQSAZPMUAY-CYBMUJFWSA-N 308.381 3.711 0 40 DHAB Cc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1C 8986804 RETLFIAUPCGCCG-UHFFFAOYSA-N 308.337 3.615 0 40 DHAB CCC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9063430 IWCKVEPKTVMVPM-AWEZNQCLSA-N 322.880 3.857 0 40 DHAB Cc1cc(C)n2cc(CN(C)[C@@H]3CCCc4ccccc43)nc2n1 9516884 GQUVGQLONIBHFN-LJQANCHMSA-N 320.440 3.856 0 40 DHAB CCc1cc(=O)c2c(C)nn(-c3ccccc3C(F)(F)F)c2[nH]1 9578622 BBXVVQZOTOWZNP-UHFFFAOYSA-N 321.302 3.603 0 40 DHAB Cc1noc(C)c1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11075188 OBJRNSXQANANMU-UHFFFAOYSA-N 321.380 3.702 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccs1 12620593 OUVRLHRYGNXHDJ-SSDOTTSWSA-N 307.849 3.503 0 40 DHAB Cc1cc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)no1 12766055 HYPFYFBPVUYXAZ-UHFFFAOYSA-N 324.384 3.876 0 40 DHAB O=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(F)cc1 13135183 YZHRKNUHBXGXJW-VAWYXSNFSA-N 306.340 3.704 0 40 DHAB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 13391077 HEZIJMOXTAVGMX-RUDMXATFSA-N 315.756 3.999 0 40 DHAB Cc1ccc([C@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1 14576913 DRAQQGCHUODDNB-GOSISDBHSA-N 306.365 3.811 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1C 20029941 ARKXDHXJPVVTSH-UHFFFAOYSA-N 323.389 3.642 0 40 DHAB O=C(c1ccccc1O)N1CCC(c2nc3ccccc3o2)CC1 21915474 AFQXVZAZDBDXGL-UHFFFAOYSA-N 322.364 3.553 0 40 DHAB COc1cccc(CN(C)c2nc3ccccc3s2)c1OC 24748946 FFPKBJYFBHBURO-UHFFFAOYSA-N 314.410 3.950 0 40 DHAB C[C@@H](NC(=O)c1ccccc1Nc1ccccc1)[C@@H]1CCCO1 29958765 WNIIUEWFTXJANM-KDOFPFPSSA-N 310.397 3.728 0 40 DHAB O=C(NCCCn1ccc2ccccc21)NCc1ccccc1 32797229 LALDDBHPQRQEOW-UHFFFAOYSA-N 307.397 3.531 0 40 DHAB CC[C@@H](C)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 32895938 ZRPVGMFRWQDGMY-SNVBAGLBSA-N 320.414 3.812 0 40 DHAB C[C@H]1C[C@H](OC(=O)CCC(=O)Nc2cccc(F)c2)CC[C@H]1C 35655100 UOUSFOZEGXXNBT-DVOMOZLQSA-N 321.392 3.912 0 40 DHAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@@H](c2cccc(O)c2)C1 40284766 NIGLNGQRJYMJTK-OAHLLOKOSA-N 323.327 3.841 0 40 DHAB CN(Cc1ccc(Br)o1)C(=O)CCC1CCCC1 41395917 RPFXWGCHTMPNNS-UHFFFAOYSA-N 314.223 3.971 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccc(F)cc1)n2C 49728951 YMUBNDVBUWYTHC-UHFFFAOYSA-N 312.344 3.968 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(NC(C)=O)cc2)c(C)c1 51355874 XWAYJWDCJTWJTL-UHFFFAOYSA-N 313.357 3.606 0 40 DHAB CN(C(=O)Nc1cccc2c1OCCO2)[C@H]1CCc2ccccc21 56721615 FAAAZPYALIDMKV-INIZCTEOSA-N 324.380 3.609 0 40 DHAB COc1ccc(CCCCC(=O)N[C@H](C)c2cccnc2)cc1 57030736 MGYOXCKAKCMDHQ-OAHLLOKOSA-N 312.413 3.680 0 40 DHAB Cc1ccccc1C[C@H](C)NC(=O)c1ccc(N(C)C)c(F)c1 58011039 MULVSZYCBAWZDT-AWEZNQCLSA-N 314.404 3.561 0 40 DHAB COC(=O)Nc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1 58277449 SKQFCXIVJRYJBL-UHFFFAOYSA-N 319.405 3.907 0 40 DHAB Cc1cc(NC(=O)NCc2cccc(COC(C)(C)C)c2)no1 65590237 YMVUAIZBAROMBX-UHFFFAOYSA-N 317.389 3.620 0 40 DHAB Cc1cnn([C@@H](C)[C@H](C)NCc2cc(-c3cccs3)on2)c1 69652048 DIRLBZVDSBBGDA-STQMWFEESA-N 316.430 3.647 0 40 DHAB COc1ccc(NC(=O)N(C)[C@H](C)c2sc(C)nc2C)cc1 69745113 IRPFVRXAHMIYHJ-LLVKDONJSA-N 319.430 3.993 0 40 DHAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(C=O)cc1 72193603 QTRWGNPDTKBGGP-DGCLKSJQSA-N 313.180 3.996 0 40 DHAB CC(C)c1nc(CN2C(=O)CC3(CCCCC3)CC2=O)cs1 72311126 BGBPZGXTMYRPSI-UHFFFAOYSA-N 320.458 3.866 0 40 DHAB c1ccc(CCCOC2CN(c3nc4ccccc4o3)C2)cc1 72312275 AEILZORSTIGCOD-UHFFFAOYSA-N 308.381 3.666 0 40 DHAB Cn1ccc2cc(C(=O)Nc3cccc4ncccc34)ccc21 79490260 GYILMBBCNMRKJY-UHFFFAOYSA-N 301.349 3.979 0 40 DHAB Cc1ccc(NC(=O)CCN[C@@H](C)c2cccnc2)c(Cl)c1 89669702 JJJAVRJQNBIIMB-ZDUSSCGKSA-N 317.820 3.723 0 40 DHAB Cc1cnc(C(=O)N(CC(C)(C)C)c2ccc(F)cc2)cn1 95439124 QVZUZHGDLBNDSJ-UHFFFAOYSA-N 301.365 3.617 0 40 DHAB C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CC1(O)CCCCC1 95455935 GMMAQSYEPXDLMF-KBPBESRZSA-N 319.420 3.745 0 40 DHAB C[C@@H]1CCN(C(=O)c2ncoc2-c2ccco2)CC12CCC2 95458067 YHOFVPSBBRXNCN-GFCCVEGCSA-N 300.358 3.587 0 40 DHAB CC(C)NC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 95475013 YKRPOSXNLZOTFL-OAHLLOKOSA-N 304.821 3.840 0 40 DHAB C[C@H]1C[C@H]2CN(C(=O)c3cc4ccccc4s3)CC[C@@H]2O1 96045956 NLGYLWXWSBMUOG-UBHSHLNASA-N 301.411 3.541 0 40 DHAB c1ccc(CN2CCC[C@]3(CCCN3Cc3cccnc3)C2)cc1 96214656 PAGPTAITAJIMDN-NRFANRHFSA-N 321.468 3.712 0 40 DHAB COC[C@@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccco1 96478949 QZIKCHLVTQDXGC-SMDDNHRTSA-N 302.399 3.928 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1F 96659475 AASGANPZEDLIOV-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CC(C)(C)[C@H](NC(=O)CSCc1ccon1)c1cccs1 97016131 YFNDXKNXIGLWJZ-CQSZACIVSA-N 324.471 3.873 0 40 DHAB C[C@H](c1cccnc1)N(C)Cc1cnc(-c2ccccn2)s1 97375242 YFAGEKCTVDAGFK-CYBMUJFWSA-N 310.426 3.793 0 40 DHAB O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccc2cc[nH]c12 98020536 JWRFFGFASPOASK-HNNXBMFYSA-N 312.413 3.780 0 40 DHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)OC2=O 100261018 LDXKDZPUJVLPHZ-PMACEKPBSA-N 323.392 3.900 0 40 DHAB O=S(=O)(c1ccccc1)[C@H]1C[C@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2 104292481 KESSVIVBPRHJMV-UVQHHTHUSA-N 300.423 3.595 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nn1-c1ccccc1 107134703 HOUAGHYITOSSBT-OVWQWFNUSA-N 323.440 3.735 0 40 DHAB CC(C)c1nnc(COc2ccc(F)c(C(F)(F)F)c2)o1 190524798 PNAYEWXYECYCBC-UHFFFAOYSA-N 304.243 3.930 0 40 DHAB Cc1nc(C(=O)N2CCS[C@@H](c3cccs3)CC2)cs1 219464038 GQRMHTGAHFMJQC-CYBMUJFWSA-N 324.496 3.833 0 40 DHAB Cc1ccc(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 219848152 DCMPUYDSIVLWOX-UHFFFAOYSA-N 322.452 3.870 0 40 DHAB CCc1ccc(CC(=O)NCCSCc2ccccc2)cc1 223074209 XFTPNNXJZAKLHW-UHFFFAOYSA-N 313.466 3.841 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 224610155 UWNFPJPXJUZFMG-IRXDYDNUSA-N 311.425 3.991 0 40 DHAB Cc1c(C(=O)O)sc2nc(-c3ccc(C(C)(C)C)cc3)nn12 224971687 HLUQNMXXHLRZID-UHFFFAOYSA-N 315.398 3.762 0 40 DHAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)c1 225596966 YDXJJKRCISKSBM-CQSZACIVSA-N 321.417 3.790 0 40 DHAB COc1ccc(-c2ccc(C(=O)N(C)c3ccccc3)o2)cc1N 226304122 GSVMOYSAAVGHHU-UHFFFAOYSA-N 322.364 3.814 0 40 DHAB Cc1cc2nc(C(=O)O)ccc2cc1NC(=O)OC(C)(C)C 256054200 VKDPEOOQVQHKPQ-UHFFFAOYSA-N 302.330 3.588 0 40 DHAB CCc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1 260742709 YHDSFIKCZYUVLX-HNNXBMFYSA-N 319.518 3.657 0 40 DHAB Cc1cc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)cs1 585081861 OQKWMGGUVBKXDJ-LBPRGKRZSA-N 300.427 3.789 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 313399 JJBRVXJJPOMGPI-OAHLLOKOSA-N 318.417 3.641 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3C)CC2=O)cc1 350754 YZGHTARWCKZLBU-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB COc1ccc(CNc2nc3ccccc3s2)cc1OC 562824 RQQGCVVIUAOBHT-UHFFFAOYSA-N 300.383 3.926 0 40 DHAB c1ccc(OCCNc2ncnc3sc4c(c23)CCC4)cc1 3336614 SELJQRWJTNEVGP-UHFFFAOYSA-N 311.410 3.671 0 40 DHAB Cc1ccccc1-n1nnnc1SCc1ccc(Cl)cc1 3352573 XCQOHGSJXILZCI-UHFFFAOYSA-N 316.817 3.916 0 40 DHAB CCOC(=O)c1sc(NC(=O)Cc2ccccc2F)cc1C 3553173 UCQWHXYEHBJJLH-UHFFFAOYSA-N 321.373 3.554 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 3553652 IVSAWYWFELUEKC-ACJLOTCBSA-N 311.381 3.979 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 3559144 VXLNXHOHFAWXPV-UHFFFAOYSA-N 313.353 3.513 0 40 DHAB Cc1cc(NC(=O)CC2CCCC2)n(-c2nc3ccccc3[nH]2)n1 4005240 XUACPHOUFKXVDQ-UHFFFAOYSA-N 323.400 3.576 0 40 DHAB CC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 4070037 SSDWKQMRZDPBEN-UHFFFAOYSA-N 312.350 3.858 0 40 DHAB O=C(CSc1nnc(-c2cccc(F)c2)o1)c1ccccc1 4185889 OOFGTTLLYUCWIU-UHFFFAOYSA-N 314.341 3.851 0 40 DHAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)N(C)C)cc12 4340761 PAQPADGJSGZXLX-UHFFFAOYSA-N 323.348 3.829 0 40 DHAB biogenic C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccco1)C2 4488763 OGLZJGGVPOZKKC-PCAWENJQSA-N 313.353 3.562 0 40 DHAB aggregator O=[S@](N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2 4717773 YYGBYQTWYLHQMN-WAIXSBHESA-N 301.455 3.682 0 40 DHAB CC(C)c1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 5633647 LGNBLJMBKLKHOF-VMPITWQZSA-N 307.806 3.967 0 40 DHAB O=C(CC(=O)c1ccccc1)NCc1ccc(Cl)cc1Cl 5772622 SCNBVDIVUOSTGQ-UHFFFAOYSA-N 322.191 3.883 0 40 DHAB CC[C@@H](COC(=O)c1ccc(N(C)C)cc1)NC1CCCCC1 5846109 DSUZCUIWCYBBTC-INIZCTEOSA-N 318.461 3.610 0 40 DHAB CCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 6656631 RKTTZDALNAAVMC-GXDHUFHOSA-N 321.398 3.540 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1F 6810095 FYINPOKDBCWXIL-UHFFFAOYSA-N 315.323 3.810 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)c2sccc2C)cc1 7408410 CBWRXBPZEDSALA-UHFFFAOYSA-N 316.426 3.791 0 40 DHAB O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2sccc2c1 9521442 DHFRWVDYJARKMY-UHFFFAOYSA-N 311.362 3.811 0 40 DHAB O=C(/C=C/c1cccc(F)c1)N1CCc2[nH]c3ccccc3c2C1 9899905 CUJQNBDUHBEMOU-CMDGGOBGSA-N 320.367 3.905 0 40 DHAB CC[C@@H](C(=O)Nc1ccccc1)N1CCc2sccc2C1 10107218 WKPLGXYERSHGOB-HNNXBMFYSA-N 300.427 3.524 0 40 DHAB CCc1ccc(OCCCn2c(C=O)nc3ccccc32)cc1 11735049 WHHYONUPBRSIFG-UHFFFAOYSA-N 308.381 3.880 0 40 DHAB Cc1ccc(NC(=O)CSc2nccn2C2CC2)cc1C 11891191 USDKHWISGDZOBM-UHFFFAOYSA-N 301.415 3.566 0 40 DHAB COc1ccc2c(CC(=O)N[C@H](C)CCC(C)C)coc2c1 13140823 ZBHUBJKZVLUEKZ-CYBMUJFWSA-N 303.402 3.925 0 40 DHAB CCn1nc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1C 13703140 VERYVEGFFIFDGV-UHFFFAOYSA-N 314.414 3.690 0 40 DHAB CC[C@@H](CNC(=O)c1ccc(Br)o1)c1ccccc1 14242805 NTDVXWVEPDSWCI-NSHDSACASA-N 322.202 3.966 0 40 DHAB Cc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)nc2=O)cc1 16777325 PGHIPROOESPUEQ-UHFFFAOYSA-N 312.760 3.537 0 40 DHAB COc1ccc(CN2CCCCC[C@@H]2c2cc(C)on2)cc1O 19119392 FLSBELFFSWFAMO-MRXNPFEDSA-N 316.401 3.815 0 40 DHAB Cc1cc(Sc2ccccc2)n2nc(C(F)(F)F)nc2n1 26690767 OHQUSRAAFHDQNH-UHFFFAOYSA-N 310.304 3.603 0 40 DHAB CCCc1cc(C(=O)Nc2ccc(N(C)C)nc2)sc1C 30117743 QWMZQLDBYFHWOQ-UHFFFAOYSA-N 303.431 3.722 0 40 DHAB O=C(Nc1ccc(-c2nccs2)cc1)c1cn2ccccc2n1 32983587 WKZYHOQHXYBNKQ-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB Cc1ccc(-c2noc(C(C)(C)NC(=O)c3ccccc3)n2)cc1 35291182 XJJPITXBXUJTAO-UHFFFAOYSA-N 321.380 3.710 0 40 DHAB COCCN1CCCc2ccc(NC(=O)c3ccc(C)cc3)cc21 35588058 DKEGLOVRQANMDP-UHFFFAOYSA-N 324.424 3.646 0 40 DHAB O=C(NC1CCCC1)c1cc2occc2n1Cc1ccccc1 36365492 IXTAWNQUJBDBPV-UHFFFAOYSA-N 308.381 3.955 0 40 DHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc2ccccc2[nH]1 38716978 ZGHJISRIDLHSMB-UHFFFAOYSA-N 302.337 3.810 0 40 DHAB Cc1ccc(/C=C/C(=O)NCc2ccc(-n3cccn3)cc2)s1 40106976 NOWCFJCSUQJPTF-MDZDMXLPSA-N 323.421 3.572 0 40 DHAB CS[C@H](C)C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 48226855 HIKANEAPRBBLDM-ZIAGYGMSSA-N 306.475 3.609 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1 48253525 MDGKJQZJDHRKLJ-RDTXWAMCSA-N 308.381 3.724 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccccc2C)cc1 48374096 HKEXSRJQMGAAOF-IAGOWNOFSA-N 310.441 3.659 0 40 DHAB Cc1nc(C)c([C@@H](C)Nc2nccc(C(F)(F)F)n2)s1 48626042 XZMKAPUZOJCWJJ-SSDOTTSWSA-N 302.325 3.742 0 40 DHAB CC(C)c1noc(C2(NC(=O)c3ccccc3)CCCCC2)n1 65257778 IWXDXHTWOYFPPT-UHFFFAOYSA-N 313.401 3.782 0 40 DHAB CC[C@H](O)CN(Cc1ccccc1)Cc1c[nH]c2ccccc12 68605850 LTOUAOJCUILPSO-SFHVURJKSA-N 308.425 3.941 0 40 DHAB O=C(Nc1cccnc1)c1cnc(Cc2ccc(F)cc2)s1 69656845 IWLLREMRTHJNAK-UHFFFAOYSA-N 313.357 3.520 0 40 DHAB OC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCCCC1 70453344 JZABXBFHQGMQOR-FQEVSTJZSA-N 311.425 3.785 0 40 DHAB CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@H]2c2ccc[nH]2)n1 71841372 FUSCEUXGOJSULS-ZDUSSCGKSA-N 318.808 3.559 0 40 DHAB CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1C[C@H]1c1cccnc1 71884286 WLJSCOWBENDGHN-LSDHHAIUSA-N 318.779 3.636 0 40 DHAB O=C(CCc1ccncc1)N(Cc1ccco1)c1ccccc1 71896188 JGMHVXJGBWUZCM-UHFFFAOYSA-N 306.365 3.841 0 40 DHAB c1coc(-c2nc(N3CCCCCC3)ncc2-c2cnccn2)c1 72338475 OWKFBECBSCJMSR-UHFFFAOYSA-N 321.384 3.574 0 40 DHAB O=S(=O)(Cc1ccccc1Cl)Nc1cc(F)ccc1F 74983458 IRXGWVNROLAKIE-UHFFFAOYSA-N 317.744 3.560 0 40 DHAB O=C(N1[C@H]2CC[C@@H]1COC2)C1(c2ccc(Cl)cc2)CCCC1 75166527 AFCXNPAQFBBIQL-IYBDPMFKSA-N 319.832 3.542 0 40 DHAB CCC(CC)c1cc(CNC(=O)Nc2cccnc2Cl)on1 75496812 FPNLZONAQMFMGB-UHFFFAOYSA-N 322.796 3.948 0 40 DHAB CC[C@@H](NCc1cccc2cn[nH]c12)c1ccc2c(c1)OCCO2 89947853 WVFAOOIHEKPPBM-MRXNPFEDSA-N 323.396 3.575 0 40 DHAB COCc1cc(CN[C@H](C)c2ccccc2OC)ccc1F 95422708 SENBGZQEUWMVCG-CYBMUJFWSA-N 303.377 3.832 0 40 DHAB CC(C)c1ccc(/C=C/CC(=O)N2CCc3[nH]ncc3C2)cc1 95450182 SFUMLOANIIWXAX-ONEGZZNKSA-N 309.413 3.521 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@@H]3C[C@]13CC[C@H]2C[C@@H]1CCCC[C@]13O4 100151203 NYWUQKFITQFOEY-JUKXBMAYSA-N 304.430 3.741 0 40 DHAB CC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 105365088 LANFJOBBEPUSIU-MCRSOVSTSA-N 315.413 3.551 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1[C@H](C)CCC[C@H]1C 217797699 KUIVQBHRCSDPJN-HZPDHXFCSA-N 319.445 3.930 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C)cc1 224686972 CUBHEZAVHNRBDZ-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccncc1 225178254 HCOVXKFYSBWPSY-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4F)OCC[C@@]3(C2)[C@@H]1O 257228127 FSKICCUGYXMJIZ-OCZKYQLUSA-N 308.368 3.840 0 40 DHAB O=C(CCc1cccnc1)N[C@@H]1[C@@H]2CCC[C@@H]2[C@@H]1c1ccccc1 409412761 AGOQOTOIUNIUBI-IZZBFERCSA-N 320.436 3.713 0 40 DHAB CC1=Nc2ccccc2C12CCN(CCc1ccncc1)CC2 585116444 WDOYNORUNZSLCB-UHFFFAOYSA-N 305.425 3.764 0 40 DHAB OCC[C@H](CN[C@H](c1ccccn1)C1CCC1)c1ccccc1 585135026 UQAMHDPQYCDLLA-QUCCMNQESA-N 310.441 3.679 0 40 DHAB CCOc1ccc(CC(=O)N2CC[C@H](c3ccsc3)C2)cc1 669639920 MYIYCAGQDRIMRH-HNNXBMFYSA-N 315.438 3.705 0 40 DHAB O=C(c1cccc2scnc12)N1CC[C@@H](c2ccccc2)C1 1526905458 YWSONJDOHRCWTH-CQSZACIVSA-N 308.406 3.926 0 40 DHAB C[C@H]1CCc2c(sc3ncn(CCc4ccccc4)c(=O)c23)C1 914906 WITNEYIVEQLDDJ-ZDUSSCGKSA-N 324.449 3.826 0 40 DHAB CCOC(=O)N1N=N[C@@H](C)[C@@]1(c1ccccc1)N1CCCCC1 1720309 UUYWXVKCDSRUDH-WMLDXEAASA-N 316.405 3.553 0 40 DHAB OCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 1926864 HKPAVMZVZVXYEY-UHFFFAOYSA-N 307.180 3.884 0 40 DHAB O=C(CSc1nnc2ccccn12)c1ccc2ccccc2c1 2654504 DQHKHZCVFDWVMJ-UHFFFAOYSA-N 319.389 3.858 0 40 DHAB COc1ccc(C(=O)c2ccc(Br)cc2)cc1F 4241756 GHUMLKAJACJMCH-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3F)s2)cc1 4700677 IIJAEBMWWHIIET-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1ccccc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 5508034 DUIHJJZMJQLKJI-AWEZNQCLSA-N 308.377 3.912 0 40 DHAB O=C(O)c1ccccc1SCc1ccc(O)c2ncccc12 5945896 MGIVRDPUOZPMQJ-UHFFFAOYSA-N 311.362 3.931 0 40 DHAB CCc1ccc(NC(=O)c2cc3cccc(OC)c3oc2=N)cc1 6957143 XSBFVZGDFXAZQN-UHFFFAOYSA-N 322.364 3.736 0 40 DHAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 7929314 CKOKBYDHAIMLJQ-INIZCTEOSA-N 323.392 3.516 0 40 DHAB O=C(NCc1cccc(Cl)c1)[C@@H]1Cc2cc(Cl)ccc2O1 8274052 AUNQXNSJMLPRAP-HNNXBMFYSA-N 322.191 3.613 0 40 DHAB COc1ccc2cc(CNC(=O)NCc3ccccc3)ccc2c1 9961051 QHDBNEPLPWNWLD-UHFFFAOYSA-N 320.392 3.848 0 40 DHAB CCc1nc2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1 12575797 CPNNIDTWYUCLGD-MRXNPFEDSA-N 300.789 3.986 0 40 DHAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cc2ccccc2o1 12627709 NOIWYSRDJPIPEW-NSHDSACASA-N 305.337 3.800 0 40 DHAB COc1cc(C(C)=O)ccc1OC(=O)c1ccc2ccccc2n1 14789246 YVYCNDJGDJXTSL-UHFFFAOYSA-N 321.332 3.665 0 40 DHAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1 15330631 ZTEXIMVPBYABRW-NSHDSACASA-N 307.752 3.563 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 15499449 HIVZZUBUPUYIGP-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB Cc1ccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)cc1 16956990 OOQLZXNDHOCGAL-UHFFFAOYSA-N 317.352 3.919 0 40 DHAB Cc1cc(C)c(NC(=O)c2cnn(-c3ccccn3)c2C)c(C)c1 19910967 KAJSMOQXFIYKII-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB C[C@H]1CCc2onc(C(=O)Nc3nc4ccccc4s3)c2C1 20572164 ITKDQJDNYVTETI-VIFPVBQESA-N 313.382 3.661 0 40 DHAB C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 20671806 QJYZHUYNXREHNP-GFCCVEGCSA-N 314.772 3.697 0 40 DHAB O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCc2ccccc21 21278888 PEYIEBQWFBKKLI-UHFFFAOYSA-N 323.783 3.933 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C)c1 22511812 CMORDCWBRKKHGV-KRWDZBQOSA-N 301.361 3.608 0 40 DHAB COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(N(C)C)c1 32796606 VLFTZRFAMCQZEY-AWEZNQCLSA-N 312.413 3.594 0 40 DHAB CCCOc1ccccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 32958187 YHTRJWMXGDWDNB-GASCZTMLSA-N 305.418 3.644 0 40 DHAB C[C@H]1CCc2ccccc2N1CC(=O)N[C@H](C)c1cccs1 36436164 FXLOZPSAWBTUOI-UONOGXRCSA-N 314.454 3.767 0 40 DHAB O=C(Nc1cccc(-c2cc[nH]n2)c1)c1nc2ccccc2s1 38490101 AYWMSGFPVRRANU-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB O=C(Nc1cccc(NC(=O)[C@H]2CC=CCC2)c1)c1ccncc1 40509619 VZJZVTAGVSNKCU-AWEZNQCLSA-N 321.380 3.629 0 40 DHAB Cc1cc(C)cc(NC(=S)NCCCN2CCC[C@@H](C)C2)c1 44080846 GBNCMPMAVAXBOY-CQSZACIVSA-N 319.518 3.712 0 40 DHAB Cc1n[nH]c2c1[C@H](c1ccc(O)c(Cl)c1)SCC(O)=N2 44901270 AZWNYJXMUJYVKX-LBPRGKRZSA-N 309.778 3.501 0 40 DHAB C[C@@H]1CCCCN1CCCCNC(=O)c1cc2ccccc2o1 46989070 HALPRJPBSKNXNE-OAHLLOKOSA-N 314.429 3.817 0 40 DHAB COc1ccc2ccccc2c1CNC1CCN(C2CC2)CC1 48354754 AZFUOZYYCZHKHT-UHFFFAOYSA-N 310.441 3.565 0 40 DHAB CCCc1n[nH]c(SCCCc2nc3ccccc3o2)n1 48365078 MMJQUQJENLARGG-UHFFFAOYSA-N 302.403 3.623 0 40 DHAB Cc1cccc(CCNC(=O)c2csc(Br)c2)c1 51671187 ADEBPIKSYGUIDL-UHFFFAOYSA-N 324.243 3.792 0 40 DHAB C[C@H](SC[C@H](O)c1ccccc1)C(=O)Nc1cccc(F)c1 58342115 STWGFTSTDPDYIK-LRDDRELGSA-N 319.401 3.620 0 40 DHAB CCn1c(=O)n(Cc2cc(-c3ccccc3)no2)c2ccccc21 58379481 CZBXJWMLTKGIPY-UHFFFAOYSA-N 319.364 3.526 0 40 DHAB CC(C)(C)n1cc(CN[C@H]2CCCOc3ccc(F)cc32)cn1 65475940 NKZBTJMDRBIEOA-INIZCTEOSA-N 317.408 3.781 0 40 DHAB CC[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(N)=O 65502404 QKFWILXCGNBVGF-OAHLLOKOSA-N 323.421 3.653 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 69770823 NYHIRYOODRRPGJ-MSOLQXFVSA-N 324.424 3.764 0 40 DHAB Cc1ccc(C)c(C[S@@](=O)[C@H](C)C(=O)Nc2ccccc2)c1 69806783 GVPOIIOFYCDGEQ-QRQCRPRQSA-N 315.438 3.579 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(Cl)c1 69808411 HSSRBVDLWLGQTB-LAJNKCICSA-N 321.829 3.616 0 40 DHAB CCCN(CC(F)F)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 72304080 WGHPGOZDBNZRRQ-CRAIPNDOSA-N 307.384 3.784 0 40 DHAB CC[C@](C)(CCCNC(=O)c1ccc(C)c(C)c1)C1OCCO1 72306325 ORQAKKARLVXDSD-LJQANCHMSA-N 319.445 3.603 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(F)cccc1F 78700592 VNMDGTBXNUSBCV-CYBMUJFWSA-N 309.287 3.900 0 40 DHAB C[C@H]1CCOCCN1C(=O)Nc1cc(Cl)ccc1Cl 89263053 GZIAOAFSMZXYMZ-VIFPVBQESA-N 303.189 3.636 0 40 DHAB CCc1nc(C)ncc1C(=O)N1CCC(=Cc2ccccc2)CC1 89280350 SGCNAFSOAXVXKM-UHFFFAOYSA-N 321.424 3.667 0 40 DHAB O=C1OCCN1c1ccc(NCC2=Cc3ccccc3OC2)cc1 89857860 FVHMGKDAFRQWNM-UHFFFAOYSA-N 322.364 3.531 0 40 DHAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)on1 90609967 MNOWDSHENDZDSX-UHFFFAOYSA-N 310.309 3.728 0 40 DHAB CCc1nnc(SCc2cc(Cl)ccc2Cl)n1C 95401591 IHTSMBUABMXXGS-UHFFFAOYSA-N 302.230 3.977 0 40 DHAB O=C(Nc1ccc(NCc2cccc3cccnc23)cn1)C1CC1 95430893 RVGYQRCDZTULDN-UHFFFAOYSA-N 318.380 3.590 0 40 DHAB c1cncc(CNc2nnc(SCc3cccs3)s2)c1 95464164 TXOUEIHDAGEQGM-UHFFFAOYSA-N 320.468 3.899 0 40 DHAB CC(=O)NCCCS[C@@H](C)c1ncc(-c2ccccc2)o1 95965961 SUKJFDLDNFFXJE-LBPRGKRZSA-N 304.415 3.662 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)N(C)CC2 96012325 BKDISCYVBLDTFH-LBPRGKRZSA-N 300.427 3.574 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)CC(C)(C)OC)c1 96434533 VRIWYGPSPNBPGB-QWHCGFSZSA-N 308.422 3.719 0 40 DHAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC1CC(c2ccccc2)C1 96486653 ABBOBQYZOXGYQV-CDEQTRAXSA-N 311.429 3.583 0 40 DHAB CC(C)C[C@@H](NC1CCN(C(=O)N(C)C)CC1)c1cccs1 96491608 DJAOZYWLEKUVOQ-OAHLLOKOSA-N 323.506 3.571 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC(Nc2ccc(F)cc2)CC1 106529945 QGOPIVLZBVQNQP-DEYYWGMASA-N 316.420 3.665 0 40 DHAB Cc1ccc([C@H](C)NC(=O)COc2cccc(Cl)c2)cc1 113969352 KDUSQEYECYAUFS-ZDUSSCGKSA-N 303.789 3.905 0 40 DHAB Fc1c(Cl)cccc1CNCc1cccc(-c2nnc[nH]2)c1 150916879 CXIQINBXZASXNM-UHFFFAOYSA-N 316.767 3.554 0 40 DHAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](c2nccs2)C1 171644395 KRHFAPFACJGTGB-GFCCVEGCSA-N 318.467 3.713 0 40 DHAB NC(=O)CSc1ccccc1NCc1cc(F)ccc1Cl 187245163 VTEIQAGYOUHBJQ-UHFFFAOYSA-N 324.808 3.669 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1 223280495 OTORXPWUXPPRKN-HNNXBMFYSA-N 317.454 3.738 0 40 DHAB CCCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cn1 225890742 QKEAQBPYWRTGJZ-UHFFFAOYSA-N 320.433 3.794 0 40 DHAB O=C([C@H]1CC=CCC1)N1CC[C@@H](Oc2cccc3cccnc23)C1 244955868 GCUVLOSREFPWGY-DLBZAZTESA-N 322.408 3.571 0 40 DHAB O=C(CC1(Cn2cccc2)CCCCC1)NCc1ccccn1 524735148 ZWTFVNVDCJXNLQ-UHFFFAOYSA-N 311.429 3.540 0 40 DHAB Cc1ccc(OC(=O)c2cncc(Br)c2)c(C)c1 364180 WAMHBLUMDBLDKN-UHFFFAOYSA-N 306.159 3.680 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1 364441 IRDMCGSHUHGCOW-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB CC1(C)[C@]2(C(=O)NCCC3=CCCCC3)CC[C@@]1(C)C(=O)C2 467833 KOICUIWFWHIGGC-RBUKOAKNSA-N 303.446 3.779 0 40 DHAB C[C@@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 483242 GBBHOHINGZDKIB-UVMWJGKXSA-N 308.219 3.721 0 40 DHAB COc1cccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)c1 532287 YFDLLLYQDVWRDJ-SJORKVTESA-N 324.359 3.572 0 40 DHAB COc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1 800748 FBVRZCCTQRWBLW-UHFFFAOYSA-N 311.381 3.510 0 40 DHAB COc1cc([C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc(OC)c1OC 1595291 QKGPVQNLHHPWQV-ZIAGYGMSSA-N 320.385 3.627 0 40 DHAB CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCC2 2640179 IURLTBCIFDNDGY-UHFFFAOYSA-N 307.415 3.542 0 40 DHAB CC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 3200560 ZKZAGYAWABUULM-ZDUSSCGKSA-N 308.333 3.816 0 40 DHAB Cc1cc(C)c(NC(=O)COC(=O)CC2CCCC2)c(C)c1 3500398 JUHGEHUGUKMZML-UHFFFAOYSA-N 303.402 3.674 0 40 DHAB Cc1ccc(C)c(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1 4140712 VBMQCODVMZVITC-OAHLLOKOSA-N 312.394 3.941 0 40 DHAB CCCCN(C)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 4679600 PXASOINTGXPZOJ-UHFFFAOYSA-N 322.880 3.811 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 5110285 CTVXMPYPGZDGLQ-UHFFFAOYSA-N 319.364 3.688 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2C)cc1 5268105 NTUMYRRXEOWISP-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB CCOC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 6579606 QIQHDGFBXVVUGI-UHFFFAOYSA-N 300.289 3.514 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 6790512 FIVFSHYJFMMKPG-UHFFFAOYSA-N 322.286 3.916 0 40 DHAB Cc1cc(N)nc(SCc2ccc(Cl)c(Cl)c2)n1 7047757 ZJXSQYFMATURTM-UHFFFAOYSA-N 300.214 3.966 0 40 DHAB O=C(N[C@H]1CCSc2ccccc21)c1cnc2ccccc2n1 8076358 YMJCAZDJJCSXEF-ZDUSSCGKSA-N 321.405 3.597 0 40 DHAB CSc1nc(NCc2ccccn2)cc(-c2ccccc2)n1 8845905 BOEXVUVWHPDMGS-UHFFFAOYSA-N 308.410 3.873 0 40 DHAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1cccs1)N3 9549863 RAISXUPLKZSPNI-ZDUSSCGKSA-N 315.423 3.829 0 40 DHAB Cc1cccc(NC(=O)c2occc2COc2ccccc2)n1 10431099 HCTILRLQQHKMDJ-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB CCCCCOc1ccc(S(=O)(=O)NCC)c2ccccc12 11614158 XJDIFHHGCPLCJT-UHFFFAOYSA-N 321.442 3.707 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)N1CCc2ccccc2C1 20461027 NCYSBEQQAISGLL-HNNXBMFYSA-N 309.409 3.601 0 40 DHAB O=C(OC[C@H]1CCCO1)c1cc2c(s1)-c1ccccc1OC2 24536214 TVEFRNOQCYAUHR-GFCCVEGCSA-N 316.378 3.643 0 40 DHAB Clc1ccccc1CNc1nn2cnnc2c2ccccc12 27985542 DMMPDLHVWCRVQX-UHFFFAOYSA-N 309.760 3.543 0 40 DHAB CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 31691263 WTPFNSLGIARWSD-SECBINFHSA-N 310.419 3.948 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1 32779480 VDYNWTFSTPKHPK-HNNXBMFYSA-N 304.777 3.504 0 40 DHAB Cc1nc(C)c2c(C)c(C(=O)NCc3ccccc3)sc2n1 32901967 PUAOCRTYEMCHST-UHFFFAOYSA-N 311.410 3.547 0 40 DHAB O=C(c1ccc(C(F)(F)F)cc1)C(F)(F)Br 34500155 AFYGBNRYQUUMFH-UHFFFAOYSA-N 303.024 3.876 0 40 DHAB O=c1cc(CNc2cccc(Cl)c2)nc2ccc(Cl)cn12 39987665 OWHVRKJYCUXSBV-UHFFFAOYSA-N 320.179 3.613 0 40 DHAB COc1ccc([C@@H](O)c2cccc(Br)c2)c(C)c1 40246181 VZINHEJTTGZUFB-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB CCc1cc(Br)ccc1OCC[C@@H]1CCCCN1 42770205 BFUPUDZRJKIOBX-AWEZNQCLSA-N 312.251 3.923 0 40 DHAB Cc1cccc(C(=O)c2ccccc2I)c1 43210205 JPNZHFPSYPVQIF-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C)nc3onc(C)c23)cc1 45247915 XBEROSVPUVGMAE-CQSZACIVSA-N 323.396 3.981 0 40 DHAB O=C(Nc1ccc(N2CCCCC2)cc1)OCC(F)(F)F 48235194 QOBXTLYRUFUXEK-UHFFFAOYSA-N 302.296 3.788 0 40 DHAB COc1cccc(-c2cc(C(=O)Nc3cccc(C)c3C)n[nH]2)c1 51315588 PJZTYJVRZJMPDA-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB O=c1[nH]c(Cc2ccccn2)nc2cc(-c3ccccc3)sc12 53846430 JGLSDZGRWKWSKW-UHFFFAOYSA-N 319.389 3.637 0 40 DHAB O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccoc1 56274580 UWUPRBWHXHAISU-CYBMUJFWSA-N 321.760 3.743 0 40 DHAB C[C@@H](Cc1ccc(O)cc1)NC(=O)N(C)C1CCCCCC1 56769252 JJPUKOJLQNSQLW-AWEZNQCLSA-N 304.434 3.687 0 40 DHAB CCCCN(CCCC)Cc1ccc2nc(NN)sc2c1 57327806 QWFMUAAVOPQXBU-UHFFFAOYSA-N 306.479 3.984 0 40 DHAB O=C(CNC(c1ccccc1)c1ccccc1)NC1CCCCC1 57861502 VNNVZEZVVUNSRX-UHFFFAOYSA-N 322.452 3.815 0 40 DHAB O=C(Nc1nccs1)N1CCn2cccc2[C@@H]1c1ccccc1 58047896 BJOPQHHNWWZWPU-HNNXBMFYSA-N 324.409 3.582 0 40 DHAB COc1ccc(C)cc1C(=O)CSc1nnc(C(C)(C)C)o1 58294868 SKJMWDPPTLVWDE-UHFFFAOYSA-N 320.414 3.659 0 40 DHAB CCc1cccc(C)c1NC(=O)NC[C@H](O)c1cccc(F)c1 58325047 ONMKMFUWLCYCCJ-INIZCTEOSA-N 316.376 3.552 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cc1 69632636 SSBPNZKRKPGQGB-UHFFFAOYSA-N 323.440 3.753 0 40 DHAB Cn1ccc2ccn(Cc3c(Cl)ccc4cccnc34)c(=O)c21 69709846 NSNSKGROKXZNKS-UHFFFAOYSA-N 323.783 3.590 0 40 DHAB COc1ccc(C(C)=O)cc1CNC(C)(C)c1nc(C)cs1 72662908 NVOSDOUZQWPDCM-UHFFFAOYSA-N 318.442 3.688 0 40 DHAB Cc1cnc(C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cn1 84258158 LRYAFZKTQMSOBF-CHWSQXEVSA-N 317.820 3.703 0 40 DHAB Nc1c(Cl)cc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1Cl 84422142 SZFIJRCVESPJND-WDEREUQCSA-N 322.195 3.713 0 40 DHAB C[C@@H](Cc1ccccc1)OC(=O)c1ccc(-n2ccnc2)cc1 95456256 PYZBDDAPIJTLSZ-HNNXBMFYSA-N 306.365 3.660 0 40 DHAB COc1ccccc1[C@H](C)CC(=O)N[C@H]1CC(C)(C)OC1(C)C 95465759 KTGRGFHSJKQQQN-CJNGLKHVSA-N 319.445 3.651 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 95915149 BLBSFYPPCWAPKQ-GOSISDBHSA-N 322.408 3.664 0 40 DHAB Fc1ccc([C@@H](Cn2ccnc2)NCc2ccsc2)cc1 96013568 PFRQRRKBTIMSBZ-MRXNPFEDSA-N 301.390 3.615 0 40 DHAB CC[C@H](C(=O)NC[C@H](OC)c1ccsc1)c1ccccc1 96097381 PEPMGOGILRITFG-HOTGVXAUSA-N 303.427 3.746 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 96408279 OOARVRYCQMGAJW-OLPMXTGOSA-N 319.470 3.863 0 40 DHAB Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](CCC(=O)O)C1 97045097 BITDMACSFFRSLV-HOTGVXAUSA-N 317.429 3.592 0 40 DHAB CCNc1ccc(Br)cc1NC(=O)c1cc[nH]c1C 97048608 ICEXRHYPZAAVPS-UHFFFAOYSA-N 322.206 3.770 0 40 DHAB O=C(c1ccncc1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97372166 CFTNPMTZGMMSFH-AWEZNQCLSA-N 320.314 3.730 0 40 DHAB Cc1ccc(C)c(OCC(=O)n2cc(C=O)c3ccccc32)c1 218736646 WGKXUIHUJSUHDL-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB O=C(COc1ccc(Cl)cc1)NCCSC1CCCC1 222757684 XMUKPMXNYSNIKI-UHFFFAOYSA-N 313.850 3.511 0 40 DHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(OC)cc1 224155121 CPPBJCUTNSNDBL-LSDHHAIUSA-N 307.434 3.795 0 40 DHAB CCN(CC)[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225152186 CURMQRGEQIRBGA-KRWDZBQOSA-N 313.397 3.816 0 40 DHAB COc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1C 225604634 WPTSFVOWIFBFAT-SFHVURJKSA-N 309.409 3.740 0 40 DHAB CCCOC(C)(C)C(=O)Nc1ccc(OCC)c2ncccc12 225903292 AIGZUBZEEWVMQN-UHFFFAOYSA-N 316.401 3.777 0 40 DHAB CCCCCC(=O)Nc1cc(OCC)c2nc(N)sc2c1 226308803 FWZGEIROSZFMSO-UHFFFAOYSA-N 307.419 3.796 0 40 DHAB Cc1cccc(CCC(=O)c2ccc(N3CCOCC3)cc2)c1 228932218 CBIJALWRQYDAHQ-UHFFFAOYSA-N 309.409 3.647 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@H](c2ccncn2)C1 257229261 FXJRWDPWDSBVGV-AWEZNQCLSA-N 323.421 3.711 0 40 DHAB C[C@H](Cc1noc(-c2cnc3n2CCCC3)n1)c1ccccc1 554822933 APVXOSBRMNVVPM-CYBMUJFWSA-N 308.385 3.616 0 40 DHAB O=C(NCC1=CCCC1)NCc1ccccc1CC(F)(F)F 624381592 VYCBTXBWOHGVQU-UHFFFAOYSA-N 312.335 3.701 0 40 DHAB CO[C@H](CNc1ncnc2cnccc12)c1ccc(Cl)s1 1775971863 WCRUCZXTHPTXQZ-LLVKDONJSA-N 320.805 3.539 0 40 DHAB C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl 74524 GPLHTAGCEQMINT-VIFPVBQESA-N 308.230 3.557 0 40 DHAB COc1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1 208708 QIZHUCDHASBYII-UHFFFAOYSA-N 316.364 3.654 0 40 DHAB Cc1ccsc1CNC1CCN(Cc2ccccc2)CC1 251573 PEWMPEANUHTMJN-UHFFFAOYSA-N 300.471 3.811 0 40 DHAB CCOc1ccc2nc(SCC(=O)OC(C)C)c(C)cc2c1 420933 BBHRBCYNHZWWRZ-UHFFFAOYSA-N 319.426 3.986 0 40 DHAB CC(C)c1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1 481666 VOGMBBCSRCZFFD-UHFFFAOYSA-N 306.365 3.932 0 40 DHAB CC(C)(C)Nc1nc(N)c(C(=O)c2ccc(Cl)cc2)s1 1398625 ZRACUNMWVDRTKH-UHFFFAOYSA-N 309.822 3.820 0 40 DHAB O=S(=O)(Oc1ccccc1)c1ccc(Cl)c(Cl)c1 1577047 IZYLSSOJIOHVPH-UHFFFAOYSA-N 303.166 3.761 0 40 DHAB O=C1c2ccccc2-c2ccc(NCCc3ccccn3)cc21 1608841 HYPZBFCTHVRPNV-UHFFFAOYSA-N 300.361 3.948 0 40 DHAB Cc1c(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cnn1C 2761399 SWKQYEARNDUUMR-ZZXKWVIFSA-N 310.184 3.687 0 40 DHAB CC(C)(C)CC(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1 3241868 IVULEDFUZZHMEV-UHFFFAOYSA-N 305.418 3.902 0 40 DHAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 3326418 XGEUHHVXGLXKKP-UHFFFAOYSA-N 307.390 3.924 0 40 DHAB COc1ccccc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 3354639 CKSDTWLDDZKDCD-UHFFFAOYSA-N 308.381 3.723 0 40 DHAB O=C1c2ccc(Cl)cc2C(=O)N1Cc1ccccc1Cl 4131042 ILGWECLNHSDHDZ-UHFFFAOYSA-N 306.148 3.790 0 40 DHAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2N)c1C 4753388 BAARAEPFMCHGEL-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1 5396784 VMPPRFKPDGSHEE-UHFFFAOYSA-N 310.784 3.920 0 40 DHAB CC1(C)[C@H]2CC[C@H](C2)[C@H]1C[C@H]1OC[C@H](CN2CCCCC2)O1 5415888 IUQYLYYXKZJRJM-ICUGJSFKSA-N 307.478 3.676 0 40 DHAB O=Cc1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 5653091 LCZKKPMTHYHPTD-UHFFFAOYSA-N 323.270 3.535 0 40 DHAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc3ccccn23)c1 6114958 YPMDGEZMFSAWPM-ZDUSSCGKSA-N 311.410 3.710 0 40 DHAB Cc1cc(C)c(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)c1 6370661 KPRXHFWLKPVLMA-UHFFFAOYSA-N 322.364 3.528 0 40 DHAB CC(C)(C)c1ccccc1NS(=O)(=O)c1cccc(F)c1 6553181 BKUVPFWEDBLMPN-UHFFFAOYSA-N 307.390 3.924 0 40 DHAB COc1cccc(CNC(=O)COc2ccccc2C(C)C)c1 6946424 XNYIRJJUZPEKFU-UHFFFAOYSA-N 313.397 3.514 0 40 DHAB Cc1ccc(CC(=O)N(C)Cc2nc3ccccc3s2)cc1 8266006 JNCHWJRABDTPSN-UHFFFAOYSA-N 310.422 3.806 0 40 DHAB CSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2)n1 9306672 YASJCCVKNNZCJN-UHFFFAOYSA-N 314.197 3.758 0 40 DHAB COc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 10994886 ZFJNEWGVIAKNLX-UHFFFAOYSA-N 321.376 3.657 0 40 DHAB COc1ccccc1C(=O)Nc1cc(C)nc2c(OC)cccc12 12322573 YPRIFHGNWOEOTL-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB CN(C)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 12608096 RMVUOXRYQXJCLD-UHFFFAOYSA-N 306.768 3.726 0 40 DHAB Cc1cc(C)cc(NC(=O)CCCNC(=O)c2cccs2)c1 12917749 QOFCFENZBNOQMM-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)c2ccccc2F)cc1 14188475 YYDWFRWUDPAJRF-UHFFFAOYSA-N 314.404 3.598 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 15424336 SBQCSDVOUVNJTA-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 15590080 QYNVLKHMVOFHRE-UHFFFAOYSA-N 322.408 3.792 0 40 DHAB O=c1c(NCCC2=CCCCC2)nccn1-c1cccc(F)c1 15732387 GRYLQAZNJBRBMW-UHFFFAOYSA-N 313.376 3.674 0 40 DHAB CCC(C)(C)C1CCC(NC(=O)c2ccc(C(N)=O)cc2)CC1 18213296 UPVHZXUXWSKDME-UHFFFAOYSA-N 316.445 3.510 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 20486669 LHZJSTMJVHBDGX-KRWDZBQOSA-N 305.393 3.990 0 40 DHAB COC(=O)[C@H](C)c1ccc(-c2ccc(OC(C)=O)cc2)c(F)c1 22046976 PPSZEZRRJWMPME-LLVKDONJSA-N 316.328 3.695 0 40 DHAB in-vitro C[C@H]1CCCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 23244288 PPYZLVSWUNDAGA-FYJFLYSWSA-N 321.804 3.525 0 40 DHAB C/C=C/C=C/C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 25060837 VEZJAHWECZOFST-MQQKCMAXSA-N 301.777 3.656 0 40 DHAB CC(=O)Nc1ccc(OC(=O)c2cccc3c(C)c(C)[nH]c23)cc1 25674171 OIUNHZMVMVJLOF-UHFFFAOYSA-N 322.364 3.962 0 40 DHAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1CCCO1 27915869 OCHGZSSXASSKEB-KBXCAEBGSA-N 311.381 3.776 0 40 DHAB Clc1ccc(CSc2ncnc3nc[nH]c23)c(Cl)c1 28405813 UWXIRYNSPXFYIB-UHFFFAOYSA-N 311.197 3.952 0 40 DHAB Cc1cc(N[C@@H](C)c2cccc(C(F)(F)F)c2)n2ncnc2n1 32533992 RUGGHDAMVBKTEP-JTQLQIEISA-N 321.306 3.625 0 40 DHAB Cc1c(Cl)cccc1NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 32667877 GKEYUFNPDDVGIS-BZNIZROVSA-N 317.772 3.815 0 40 DHAB C[C@@H](NC(=O)CCc1cccnc1)C12CC3CC(CC(C3)C1)C2 32738020 JCCFKAUTVHSNNX-RRCMXIFQSA-N 312.457 3.735 0 40 DHAB Cc1ccc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cn1 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CN(C)c1ccccc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 95458441 BYVNJGQKMDIVQO-IAGOWNOFSA-N 313.372 3.739 0 40 DHAB CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc2ccccc2o1 95969207 HBVKEFWHACKJDU-GXTWGEPZSA-N 310.401 3.772 0 40 DHAB CC(C)(C)c1ccc(C2(C(=O)OC3CCOCC3)CC2)cc1 95979169 XYYKYLIZLOVIIL-UHFFFAOYSA-N 302.414 3.738 0 40 DHAB OCCOc1ccccc1OCc1cc2ccccc2s1 96006453 OHPOZZMNPBEJBJ-UHFFFAOYSA-N 300.379 3.851 0 40 DHAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccncc1 96117526 JOHOANJALAIGRY-INIZCTEOSA-N 309.344 3.509 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 104661345 ZJUDRKMEAIYPPC-GMXVVIOVSA-N 321.804 3.891 0 40 DHAB COC(=O)c1cnc(OCC(F)(F)F)c(C2=CCCCC2)c1 146172849 KULVGSYQRQALIF-UHFFFAOYSA-N 315.291 3.767 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(Cl)cc1F 223088320 RMWDDRZQPIXCKO-LLVKDONJSA-N 321.779 3.908 0 40 DHAB CN(C)c1cccc(CC[C@H]2CCCCN2Cc2cccnc2)n1 257286940 PNSPYMUGHLRQGI-LJQANCHMSA-N 324.472 3.530 0 40 DHAB c1ccc2c(c1)CCC[C@H]2Nc1ncnc2c1ncn2C1CC1 292474987 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Cc1nc(N2CCn3cccc3[C@@H]2C)c2c3c(sc2n1)CCC3 12909435 UDRGNVURXAFCHU-NSHDSACASA-N 324.453 3.871 0 40 DHAB Cc1ccccc1Cn1c(-c2ccc(=O)[nH]c2)nc2ccccc21 13125347 SBVBACVFEFYTMT-UHFFFAOYSA-N 315.376 3.748 0 40 DHAB CC(=O)c1cc(CCC(=O)Nc2cc(F)cc(F)c2)oc1C 14095855 PJDIJYSEZXPIRZ-UHFFFAOYSA-N 307.296 3.640 0 40 DHAB C[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2)CC1 19362414 ZZAVOYQAGLDQDC-ICSRJNTNSA-N 300.490 3.816 0 40 DHAB CN(C)CCN(Cc1ccc(Cl)cc1)Cc1cccs1 19582549 UCBFEBQLRVJNJZ-UHFFFAOYSA-N 308.878 3.965 0 40 DHAB COCCOc1ccccc1CNCc1ccccc1Cl 19737614 HIOIAIPYYIWXNV-UHFFFAOYSA-N 305.805 3.655 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2Br)ccc1N 20220811 UYKJNGMJLXWPDA-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Cc1ccc(C)c(C(=O)NCCOc2ccc(Cl)cc2)c1 22655398 JRMQAGIOMOIZTO-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccncc1 25380012 RCJQDFMZWJYGMT-AWEZNQCLSA-N 321.380 3.547 0 40 DHAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C1CC1 25595126 ZGBSKIQQCSIMQH-LLVKDONJSA-N 318.804 3.842 0 40 DHAB 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Cc1ccc(NC(=O)CC(C)C)cc1-c1ccc(C(=O)O)o1 226352397 AQWVESOVPQIHGV-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB CC(C)c1ncncc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 332518848 YGNZNLGXZILEAJ-AWEZNQCLSA-N 323.440 3.970 0 40 DHAB Cc1cccc(C)c1NC(=O)N1CCCC[C@@H]1[C@H](C)CN(C)C 583651152 IFZQQOUOKNKASK-IAGOWNOFSA-N 317.477 3.888 0 40 DHAB C[C@H]1Sc2ccccc2N(C(=O)c2ncc3ccccn23)[C@@H]1C 1532418514 CAUCBCOSYSOLFD-CHWSQXEVSA-N 323.421 3.864 0 40 DHAB CC(C)c1nccn1CC1CN(c2ccnc(C(F)(F)F)c2)C1 2087122871 IJVROCFQJJHRCH-UHFFFAOYSA-N 324.350 3.557 0 40 DHAB O=C(NC(=S)Nc1cccc(Cl)c1)c1cccc(F)c1 361172 JVEFBBKSJOXEAG-UHFFFAOYSA-N 308.765 3.606 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1Cl)c1ccnc2ncnn12 1393352 CWJSGPLPYFBOGX-QMMMGPOBSA-N 309.156 3.571 0 40 DHAB O=C1CS[C@H](c2ccccc2)C(=O)N1c1ccc(Cl)cc1 1400564 PBKBLAONALFJIB-OAHLLOKOSA-N 317.797 3.688 0 40 DHAB O=C(NCCSc1c[nH]c2ccccc12)c1ccc(F)cc1 2721009 HXTALXPDPGCKBB-UHFFFAOYSA-N 314.385 3.829 0 40 DHAB Cc1cccc(OCCC(=O)N[C@H](C)c2ccc(F)cc2)c1 3352748 DCMPSLZXOPROSC-CQSZACIVSA-N 301.361 3.780 0 40 DHAB c1ccc(-c2nnn3c2nc(N2CCCC2)c2ccccc23)cc1 5035177 FODYBRXITLGUAK-UHFFFAOYSA-N 315.380 3.545 0 40 DHAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CCCC3)n2)n1 5353629 CRXIRJQKCURMGC-UHFFFAOYSA-N 319.412 3.546 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 5557340 UOSVJHJBTUIIBM-UHFFFAOYSA-N 303.833 3.968 0 40 DHAB CCOC(=O)c1c(C)c2c(n1Cc1ccccc1)CCCC2=O 5572910 HKQCMPGJCZHNHD-UHFFFAOYSA-N 311.381 3.541 0 40 DHAB CC(=O)Nc1ccc(/C=C(\C(=O)O)c2ccc(Cl)cc2)cc1 5726244 LFJSSZHCYMWGKG-YBEGLDIGSA-N 315.756 3.924 0 40 DHAB O=C(Nc1nc(-c2ccccc2)cs1)c1n[nH]c2ccccc12 6971301 GJAOEMMCHYHZMH-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB Cc1nc(/C=C/C(=O)Nc2nc(C(C)(C)C)cs2)cs1 8748333 CODGMLFSESMAIV-AATRIKPKSA-N 307.444 3.857 0 40 DHAB CCCC(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 9192178 ZHVAECKRJHCOPP-UHFFFAOYSA-N 312.413 3.637 0 40 DHAB CC(=O)Nc1ccccc1OCc1nc(-c2ccc(C)cc2)no1 9316477 BEQVXYWONSBUMK-UHFFFAOYSA-N 323.352 3.582 0 40 DHAB COc1ccc(C2=NN=C(Nc3ccccc3)SC2)cc1F 9835818 RKDHIBAESAUYRV-UHFFFAOYSA-N 315.373 3.753 0 40 DHAB Clc1ccc2oc(C3=NN=C(NC4CC4)SC3)cc2c1 9910416 CHYDZCFWNRSMBD-UHFFFAOYSA-N 305.790 3.645 0 40 DHAB Cn1c(SCC(=O)c2ccc(F)c(F)c2)nc2ccccc21 12537505 NQTOMVIXCCDFQC-UHFFFAOYSA-N 318.348 3.827 0 40 DHAB c1ccc(C(CNc2ncnc3[nH]ncc23)c2ccccc2)cc1 12547872 KGRMTYIGJQPSMM-UHFFFAOYSA-N 315.380 3.597 0 40 DHAB O=C(CCCNC(=O)c1cccs1)Nc1ccccc1Cl 12783129 XYVIMIOHXJDDLY-UHFFFAOYSA-N 322.817 3.550 0 40 DHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2)cc1 12998192 KEISMVDQYKZBBG-UHFFFAOYSA-N 324.409 3.555 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)no1 13985450 OZNOGSVQDKXLHM-MRVPVSSYSA-N 315.156 3.696 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 14219323 NGJJRBVFYXASHZ-ZDUSSCGKSA-N 323.845 3.996 0 40 DHAB O=C(c1ccccn1)N1CCC[C@@H](c2nc3ccccc3s2)C1 15697178 IHXIKDJKBURUAU-CYBMUJFWSA-N 323.421 3.711 0 40 DHAB CCCN(C[C@@H](C)O)C(=S)Nc1ccc(Cl)c(Cl)c1 19691514 VPEAXOGUFMJYIQ-SECBINFHSA-N 321.273 3.783 0 40 DHAB CC(C)C[C@@H](CNCc1ccccc1C(F)(F)F)N(C)C 20009727 QDSUNGHXHVKRNA-AWEZNQCLSA-N 302.384 3.771 0 40 DHAB O=C1c2ccccc2NC2(CCSCC2)N1Cc1ccco1 20936149 RQXDPWZBOQXFOY-UHFFFAOYSA-N 314.410 3.571 0 40 DHAB Cc1ccc(C)c(C(=O)[C@@H](C)n2nnc(-c3ccccc3C)n2)c1 21128316 KSSVFJAFICEKPK-OAHLLOKOSA-N 320.396 3.709 0 40 DHAB CCc1ccc2nc(NC(=O)[C@H]3CC3(Cl)Cl)sc2c1 21320501 OMURNRZVAKSHEF-MRVPVSSYSA-N 315.225 3.991 0 40 DHAB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 22529216 VFKVDUSNJPETLC-CABCVRRESA-N 313.397 3.648 0 40 DHAB Cc1oc(C)c(C(=O)NCc2coc(-c3cccs3)n2)c1C 26066221 IAMNGVDCABVZJG-UHFFFAOYSA-N 316.382 3.851 0 40 DHAB CC(=O)c1sc(NC(=O)Nc2ccc(F)cc2F)nc1C 27925356 POCSPXCQBNCDBD-UHFFFAOYSA-N 311.313 3.576 0 40 DHAB Cc1cccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c1 28224843 QAXMXKBBDUJATO-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CC(C)NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 31423675 VMDUVGMNOGJJSZ-UHFFFAOYSA-N 324.833 3.753 0 40 DHAB CCOC(=O)c1sc(Br)nc1-c1ccccc1 32500068 MYFOYOXMFDOSPN-UHFFFAOYSA-N 312.188 3.749 0 40 DHAB Cc1cc(CSCCC(=O)Nc2cccc(Cl)c2)on1 32778792 JLPSJJMPIWVNDB-UHFFFAOYSA-N 310.806 3.898 0 40 DHAB FC(F)(F)c1ccc(-c2nc3c4ccccc4ncn3n2)cc1 32830962 DBLQCDACEWGKHF-UHFFFAOYSA-N 314.270 3.963 0 40 DHAB O=C(Cc1coc(-c2ccccc2)n1)OCc1ccc(F)cc1 36795007 LGCBQIKDZBSKOQ-UHFFFAOYSA-N 311.312 3.767 0 40 DHAB O=C1Nc2ccccc2/C1=C\c1c(Cl)nc2sccn12 39003949 JLTIPTKNMTUOBO-VQHVLOKHSA-N 301.758 3.542 0 40 DHAB CC(=O)Oc1ccccc1C(=O)c1ccccc1Br 43209759 KSNDNIATWNDTFH-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB Cc1ncsc1C(=O)Nc1nc2ccccc2n1C(C)(C)C 58222775 PLTLHYBRKLXZEJ-UHFFFAOYSA-N 314.414 3.809 0 40 DHAB COc1c(CN[C@@H](C)c2oc3ccccc3c2C)c(C)nn1C 58434023 WDTCOEXVMVTNHX-ZDUSSCGKSA-N 313.401 3.643 0 40 DHAB CO[C@@H](C(=O)Nc1cccc(-c2cnco2)c1)c1ccccc1 65158935 MQDPBENVMOYKLZ-QGZVFWFLSA-N 308.337 3.668 0 40 DHAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)on1 65393069 FBLOJDFIMJVVET-UHFFFAOYSA-N 310.806 3.929 0 40 DHAB CCCCC(=O)N[C@H](Cc1nccn1C(F)F)c1ccccc1 65523004 MYQSMMZJNKYIQP-CQSZACIVSA-N 321.371 3.868 0 40 DHAB O=C(c1cnns1)N(Cc1ccccc1Cl)C1CCCC1 69566640 ZGNZSFANPIVHOC-UHFFFAOYSA-N 321.833 3.777 0 40 DHAB c1csc([C@H]2c3ccsc3CCN2Cc2ccno2)c1 69740535 PFISMRJCBDIUNA-OAHLLOKOSA-N 302.424 3.945 0 40 DHAB Cc1occc1C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 69775629 XACASHGXYAYAJU-CYBMUJFWSA-N 319.332 3.537 0 40 DHAB O=C(/C=C/c1nccs1)N1CCC[C@@H]1CCc1ccccc1 70039655 JTESQVJDYTXURZ-SIFUEBAJSA-N 312.438 3.780 0 40 DHAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)n1 72273789 JREAHHMHJVAXAX-CQSZACIVSA-N 301.415 3.522 0 40 DHAB Cc1csc([C@@H](NC(=O)N(C)Cc2ccccc2)C2CC2)n1 74666777 VXQJTAIBHSCFNJ-HNNXBMFYSA-N 315.442 3.744 0 40 DHAB C[C@@](O)(CNC(=O)c1cccc2ccccc12)c1cccs1 75155861 NHHWUBQYILBRKC-GOSISDBHSA-N 311.406 3.539 0 40 DHAB CS[C@H](C)c1cccc(NC(=O)NC[C@H](C)C[C@@H](C)O)c1 77705271 QYFHDKGKTSSIOP-JHJVBQTASA-N 310.463 3.639 0 40 DHAB Cc1cccc(C)c1OCCOc1nnc(-c2ccccc2)o1 78392838 BJESZOVRUKXEQA-UHFFFAOYSA-N 310.353 3.811 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)C[C@@H]1OCCc2ccccc21 78813689 PGVLDEHWDCLHAV-CJNGLKHVSA-N 315.438 3.972 0 40 DHAB CCCOc1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 79049042 NAKHZMGDCXPKCT-SFHVURJKSA-N 319.445 3.753 0 40 DHAB CC[C@H](O)c1scc(Br)c1Br 85391210 FTGRGFHKHRLOLZ-YFKPBYRVSA-N 300.015 3.717 0 40 DHAB Cc1occc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 91059286 WNMUIRJJZDXGGB-LSDHHAIUSA-N 323.751 3.641 0 40 DHAB O[C@@H](C[C@@H]1CCCCCN1c1ncc(Cl)cn1)c1ccco1 95413060 HRZUTDOFVHJGGK-KBPBESRZSA-N 321.808 3.596 0 40 DHAB O=C(Nc1cccs1)N(Cc1cnc2ccccn12)C1CC1 96025052 BACYKUYEDZFYGB-UHFFFAOYSA-N 312.398 3.592 0 40 DHAB COC1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1 96104458 BFUPVBNUJKPCDE-UHFFFAOYSA-N 324.424 3.863 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccccc1)c1ccc(C)s1 96104664 CRRBSXLEWOHTNU-SLZMIMFISA-N 301.411 3.574 0 40 DHAB CO[C@](C)(CNC(=O)c1cc(C)oc1C)c1cccc(Cl)c1 96392345 JCGGOMCGTOUPHT-QGZVFWFLSA-N 321.804 3.841 0 40 DHAB C[C@H](C(=O)NC[C@@H]1CCOc2ccccc21)c1cccs1 96413815 DJIWUGXNLSGTGD-STQMWFEESA-N 301.411 3.534 0 40 DHAB C[C@@H]1CCCN(c2ccccc2OCc2nnc(C3CC3)o2)C1 96428904 UGOOFQWRLQSTBX-CYBMUJFWSA-N 313.401 3.762 0 40 DHAB O=C(Nc1cccc(N2CCCNC2=O)c1)C1CCCCCC1 96431743 ZSNBIOTUKWJOAX-UHFFFAOYSA-N 315.417 3.515 0 40 DHAB CN(Cc1cc2ccccc2o1)C(=O)CCCc1ccccn1 96445189 XJWBBVZLTBMAQM-UHFFFAOYSA-N 308.381 3.809 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(COC)c1 175932122 ZRWJAUPTBGDFIF-QGZVFWFLSA-N 313.397 3.938 0 40 DHAB CCOc1ccc(C(=O)NCCSCc2ccco2)cc1C 224924969 YSOFCFMIQFBMDC-UHFFFAOYSA-N 319.426 3.650 0 40 DHAB CCC1(CC)C[C@@H](NC(=O)c2cccnc2)c2ccccc2O1 225427647 PBQXBMZWFZZLOH-MRXNPFEDSA-N 310.397 3.894 0 40 DHAB Fc1ccccc1NC(=S)NCCOc1ccccc1Cl 225779702 YETVJOJJCNCCMX-UHFFFAOYSA-N 324.808 3.845 0 40 DHAB Cc1cccnc1NCc1ccc(-c2ccccc2C(=O)O)o1 257209968 BSONSTLYNJORKH-UHFFFAOYSA-N 308.337 3.960 0 40 DHAB O=C(O)c1ccccc1-n1cc(Cn2ccc3ccccc32)cn1 257298596 RMKAMMUMOKUZCM-UHFFFAOYSA-N 317.348 3.574 0 40 DHAB Cc1cccc(-c2nc(CO[C@@H]3CCCC[C@@H]3C)no2)c1O 333111034 XOOQNRKCQDLWGW-SMDDNHRTSA-N 302.374 3.846 0 40 DHAB COc1ccc(-c2ccnc(NC3C[C@@H](C)O[C@H](C)C3)n2)cc1 569556292 MVAGWSKXOLMDPA-CHWSQXEVSA-N 313.401 3.520 0 40 DHAB CC(C)C[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)n1cccc1 575443331 LOPUMQCIXSEORH-YOEHRIQHSA-N 324.428 3.829 0 40 DHAB Cc1ccc2c(c1)[C@@H](NCc1cnc3n1CCCC3)CCCO2 585081437 HWTUEPAMSWZZRX-KRWDZBQOSA-N 311.429 3.531 0 40 DHAB COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)cc1 161034 OSHAVRCRDOTVTH-UHFFFAOYSA-N 302.713 3.828 0 40 DHAB Cc1cccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1 189400 ZEDGJHNBHORRHA-UHFFFAOYSA-N 315.442 3.946 0 40 DHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCc2ccccc21 3396162 APXCQHUQXDXMCW-LLVKDONJSA-N 318.779 3.869 0 40 DHAB Cc1ccccc1CSc1nnc2ccc(-c3ccco3)nn12 4376821 PNHPYRSEOYWVIE-UHFFFAOYSA-N 322.393 3.985 0 40 DHAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(F)cc3)o2)c1 4479481 FGIGBAAYICVNEA-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB Cc1cc(S[C@@H](C)C(=O)N2CCCC2)nc2c(C)cccc12 5582458 CNXOYRRIATZUAI-AWEZNQCLSA-N 314.454 3.955 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]21 6189545 YCHQYZZUXVHAEQ-PURYLZLUSA-N 307.393 3.561 0 40 DHAB O=C1CCCC[C@@H]1Sc1nc(C2CC2)n(-c2ccccc2)n1 6549807 BWDJJZAZCLNJBW-HNNXBMFYSA-N 313.426 3.749 0 40 DHAB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)S[C@H](C)C(=O)N2 6678496 ZWONHGGXXVOGRQ-PELKAZGASA-N 307.806 3.535 0 40 DHAB CC(=O)c1cn([C@H](C)C(=O)N2CCCCCC2)c2ccccc12 6957468 DRQZIUGIDSTOGM-CQSZACIVSA-N 312.413 3.808 0 40 DHAB Cc1cccc(C)c1NC(=O)[C@H](C)SC(=S)N1CCCC1 7443589 PZEIWJFRLSGYTB-ZDUSSCGKSA-N 322.499 3.744 0 40 DHAB CC(=O)c1cccc(NC(=O)C[C@H](C)n2nc(C)c(C)c2C)c1 7636112 MZFJWRDKUQRLIN-NSHDSACASA-N 313.401 3.601 0 40 DHAB Cc1cccc2sc(NC(=O)Cc3cccc(F)c3)nc12 7725088 YEGUGKXCJYXWPY-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H](c2cccs2)C2CC2)cc1C 10683079 LOCYSJJVYWBMQN-MRXNPFEDSA-N 321.467 3.795 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1 10852063 WHWSYMKLLFNYTJ-INIZCTEOSA-N 316.426 3.834 0 40 DHAB O=C(CC1CCCC1)NCc1cc(-c2ccc(F)cc2)on1 11613434 UFEIZLLLMZQQCH-UHFFFAOYSA-N 302.349 3.677 0 40 DHAB COCCN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1 12644786 WAHODBACOHGUNL-MRXNPFEDSA-N 316.788 3.553 0 40 DHAB Cc1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1C 12944328 CLENKLPHTQWEHI-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3ccccc3)n2)c1 13495302 VNDYORRIBJMEOQ-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB Fc1ccc(COn2nnc3ccc(Cl)cc32)c(Cl)c1 14352191 FDVSQCXTCXIVTG-UHFFFAOYSA-N 312.131 3.506 0 40 DHAB O=C(Cc1ccc(F)cc1)NCCOc1ccc2ccccc2c1 16142143 DZNLEEHKOYVEHO-UHFFFAOYSA-N 323.367 3.717 0 40 DHAB Cc1ccc(C)c(C(=O)NCC2(c3ccccc3)CCOCC2)c1 16968897 GLBVXCFBNJGXDA-UHFFFAOYSA-N 323.436 3.782 0 40 DHAB CC(C)[C@H](C(=O)NCc1cccnc1)c1ccc(Cl)cc1 17168846 DZQVQFIYTRIDBP-INIZCTEOSA-N 302.805 3.791 0 40 DHAB O=C1Oc2nc3ccccc3cc2CN1CCc1ccc(F)cc1 19376296 MYCARNDDVJLBNR-UHFFFAOYSA-N 322.339 3.931 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cn1 19427830 ILHBTAYSMWIEBD-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB COc1cccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 19565156 PKEIYCPMEZLRHG-QGZVFWFLSA-N 321.424 3.951 0 40 DHAB Cn1c(=N)n(CCOc2ccc3ccccc3c2)c2ccccc21 19996034 JKHFSBMIXIIYRU-UHFFFAOYSA-N 317.392 3.691 0 40 DHAB CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 20064274 PLRXLSVMCUTUCU-FQEVSTJZSA-N 322.452 3.525 0 40 DHAB O=C(COc1ccc(F)cc1)c1ccc(Br)cc1 24522125 YJONASZQTPHSGT-UHFFFAOYSA-N 309.134 3.850 0 40 DHAB CCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(Cl)s1 27359696 YIROKJJPQRLTTI-UHFFFAOYSA-N 308.834 3.523 0 40 DHAB COc1cccc(C(=O)N(Cc2cccs2)c2ccccn2)c1 27749079 MCNBHZLUABFDEN-UHFFFAOYSA-N 324.405 3.999 0 40 DHAB COc1c(O)ccc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 29206654 PUEXVLNGOBYUEW-BFDPJXHCSA-N 300.398 3.826 0 40 DHAB biogenic,in-vitro O=C(Cc1ccccc1Cl)Nc1cccc(-c2ccn[nH]2)c1 29799269 WDNCOQFGSWAGRO-UHFFFAOYSA-N 311.772 3.911 0 40 DHAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccccc1 31553527 SCRHJOUZXNVSBS-UHFFFAOYSA-N 308.406 3.915 0 40 DHAB CSc1ccc([C@@H](C)NC(=O)c2cccnc2S)cc1 31690556 GEEZTSYLGKUJBH-SNVBAGLBSA-N 304.440 3.583 0 40 DHAB Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(Cl)s1 33192995 OMQKTWOGOYWOPO-LURJTMIESA-N 318.229 3.588 0 40 DHAB CC(C)n1ncc2c(C(=O)Nc3ccccc3)c3c(nc21)CCC3 36359672 FRKXEQGUKZDEQE-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB CCC(CC)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@H]2C 36393598 ICURBQJYMBYFIT-SNVBAGLBSA-N 323.820 3.714 0 40 DHAB CC[C@H](NC(=O)c1cc(C)no1)c1ccc(Br)cc1 36758579 GJPDBMKKQALBJB-LBPRGKRZSA-N 323.190 3.627 0 40 DHAB COc1ccc(C(=O)Nc2ccc3c(C)cc(C)nc3n2)cc1 40818233 GWLIRSCWGPITLX-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1cccs1 44866351 AXAQHNNOBPMEGL-BCPZQOPPSA-N 309.394 3.582 0 40 DHAB CC(C)c1nc(CS(=O)(=O)c2cc(F)ccc2F)cs1 47637748 YNKGSVHJWBTYCT-UHFFFAOYSA-N 317.382 3.519 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)Cc1cccc(Cl)c1 52944193 PVOPZJUTYFMPBC-UHFFFAOYSA-N 303.745 3.528 0 40 DHAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 56173514 ZEJKZFMKGRTLOJ-UHFFFAOYSA-N 324.424 3.705 0 40 DHAB COc1ccccc1-c1noc(CSc2ccc(O)cc2)n1 58278688 KLQNOLCTBSUABS-UHFFFAOYSA-N 314.366 3.743 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc4ncccc4c3)[nH]c2c1 58329264 SYROPFKHJNNSCO-UHFFFAOYSA-N 317.348 3.977 0 40 DHAB Cc1nc(C)c(-c2nnc(SCc3nc(C)c(C)o3)o2)s1 63536581 DMPXLEMJDPWRDC-UHFFFAOYSA-N 322.415 3.707 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1F 71325887 SCJOLOHSNKUYBX-UHFFFAOYSA-N 319.405 3.709 0 40 DHAB Fc1ccccc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 72355430 DHTUKQZEARSKPA-SFHVURJKSA-N 322.387 3.744 0 40 DHAB COC(=O)[C@@H](CC(C)C)c1[nH]c2ccc(Cl)cc2c1CCN 77024444 KTQKKWAVSTUTAU-AWEZNQCLSA-N 322.836 3.625 0 40 DHAB COc1cc(C)c(CN[C@H](c2ccccn2)C(C)C)cc1OC 83471039 NUHANLCHYGFPKZ-IBGZPJMESA-N 314.429 3.894 0 40 DHAB FC(F)(F)CCN(c1nccc(C(F)(F)F)n1)C1CCC1 84614891 NCDNWWADCKTBJD-UHFFFAOYSA-N 313.245 3.807 0 40 DHAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(Cl)cc1 84714636 XDUMUDSOHQQVSQ-IIYDPXPESA-N 320.864 3.638 0 40 DHAB C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@H]1c1ccsc1 84968442 IOIVAENNOAAGFC-OCCSQVGLSA-N 318.467 3.987 0 40 DHAB CC(C)c1noc(CCN[C@@H](C)c2ccc(F)c(Cl)c2)n1 89577074 KLNFPNOYGIXSAU-JTQLQIEISA-N 311.788 3.879 0 40 DHAB C[C@H](N[C@@H]1CCCC[C@@H]1OCc1ccccc1)c1cnccn1 90602917 HPDNWOPSOCAKNI-WDYCEAGBSA-N 311.429 3.655 0 40 DHAB COc1ccc(-c2noc([C@H]3C[C@H]3c3ccco3)n2)c(OC)c1 95396896 OBKOPCPMCCYZIZ-OLZOCXBDSA-N 312.325 3.618 0 40 DHAB CC[C@H]1CC[C@@H](C)N1C(=O)c1sc(NC(=O)C2CC2)cc1C 95459202 OLUFLXSXATXKBX-YPMHNXCESA-N 320.458 3.808 0 40 DHAB COc1ccccc1[C@@H](C)CC(=O)N[C@H]1CC(C)(C)OC1(C)C 95465758 KTGRGFHSJKQQQN-BBRMVZONSA-N 319.445 3.651 0 40 DHAB COc1ccc([C@H](NC(=O)N2CC[C@H](C)[C@@H]2C)C2CC2)cc1 95963560 MEUAZUNYMFFOFQ-GDZNZVCISA-N 302.418 3.586 0 40 DHAB CCc1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O 101275521 UPVLGXQXLHKHLT-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)NC(C)(C)c2ccc(F)cc2)c1C 103053536 PHWYGWGUSRGSHS-UHFFFAOYSA-N 316.376 3.638 0 40 DHAB C[C@H](C[C@H](O)c1ccco1)NC1CCC(C(F)(F)F)CC1 123476031 WIVIAKIZNNRZAZ-XVSSEFHLSA-N 305.340 3.802 0 40 DHAB Cc1ncsc1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 190275007 USVBDIFNBRQQOA-NSHDSACASA-N 322.380 3.750 0 40 DHAB O[C@H](CSCc1coc(-c2cccs2)n1)C(F)(F)F 191106545 IXOQCTHVCKDJAD-SECBINFHSA-N 309.334 3.560 0 40 DHAB O=C(O)c1cc(NC(=S)NCc2ccccc2)ccc1Cl 216928046 KGIZIPJIQKUUJM-UHFFFAOYSA-N 320.801 3.525 0 40 DHAB COC(=O)[C@H](C(C)C)N1c2cc(OC)ccc2C(C)=CC1(C)C 223211505 QLMAHRYHPPYYAB-KRWDZBQOSA-N 317.429 3.895 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)NCCOCc1ccccc1 223385938 OSZXAZFELLGIAK-DHZHZOJOSA-N 315.800 3.686 0 40 DHAB Cc1cccc([C@@H](NC(=O)c2cccnc2)c2ccccc2)c1 225431681 MQDJMKAISNMXDL-IBGZPJMESA-N 302.377 3.909 0 40 DHAB Cc1cccc(CNC(=O)c2sc(-c3cccnc3)nc2C)c1 225859041 NWZKPBWICCPSCT-UHFFFAOYSA-N 323.421 3.752 0 40 DHAB COc1cc(N)ccc1-c1ccc(C(=O)N(C)c2ccccc2)o1 226303978 XYMOQAIBCOYBBU-UHFFFAOYSA-N 322.364 3.814 0 40 DHAB Nc1nc2c(Cl)cc(NC(=O)Cc3ccccc3)cc2s1 226309180 YGFWUWRRUWAQPY-UHFFFAOYSA-N 317.801 3.713 0 40 DHAB O=C(CCC1CCCC1)Nc1ccc2c(c1)CCCC(=O)N2 227169540 ZGNJXXZGAIJNGK-UHFFFAOYSA-N 300.402 3.870 0 40 DHAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 247943181 QIBHNDDMPBCRNN-OIPACUDHSA-N 323.440 3.705 0 40 DHAB CC(F)(F)c1cccc(NC(=O)NCC(F)(F)C(F)F)c1 282684740 KQMRHEGDXHGNFO-UHFFFAOYSA-N 314.229 3.820 0 40 DHAB COc1ccc(-c2ccc(OC(=O)c3ccccc3F)nn2)cc1 408528798 LADMYNDPOQUVEB-UHFFFAOYSA-N 324.311 3.511 0 40 DHAB CCn1cc(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2ccccc21 408713440 YSYNKZYEAQYELU-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB Cc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)s1 409084857 YBOZKDGOKANDKD-UVTDQMKNSA-N 320.483 3.789 0 40 DHAB Cc1cc([C@@H](C)N2CCc3c(F)ccc(F)c3C2)oc1C(=O)O 582008590 SGCVFNWFHBOWQG-SNVBAGLBSA-N 321.323 3.684 0 40 DHAB CC(C)(C)OC(=O)NCc1cnc(Cl)c(Br)c1 1504308208 ONPXPNFMRBFCCA-UHFFFAOYSA-N 321.602 3.522 0 40 DHAB CN(C(=O)Nc1ccc(Cl)cc1)c1c2c(nn1C)CCCC2 92459 CEINPMNJKVLMON-UHFFFAOYSA-N 318.808 3.621 0 40 DHAB NC(=O)c1cccnc1Nc1ccc(Cl)c(C(F)(F)F)c1 481294 ILDWILKXKOOGKN-UHFFFAOYSA-N 315.682 3.596 0 40 DHAB COc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 493257 MPTQILVAHMPIHM-UHFFFAOYSA-N 307.349 3.866 0 40 DHAB CCCC(=O)Nc1ccc2nc(SCC(C)=O)sc2c1 523659 OYENOKWLDLYEBR-UHFFFAOYSA-N 308.428 3.716 0 40 DHAB O=C1c2ccccc2C(=O)N1OCc1c(Cl)cccc1Cl 1388963 QVMAVYVJYYXZTI-UHFFFAOYSA-N 322.147 3.721 0 40 DHAB OC1=NC(=S)S/C1=C/c1cccc(Br)c1 2532842 OTYMLMRHOPDJMX-VMPITWQZSA-N 300.202 3.778 0 40 DHAB O=C(NCc1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 3195067 LCWIHOIDFVFBRM-UHFFFAOYSA-N 315.372 3.848 0 40 DHAB O=C(NC(=S)Nc1cccc2c(O)cccc12)C1CCCC1 3281247 DNIKBYCCDIPXNG-UHFFFAOYSA-N 314.410 3.549 0 40 DHAB C/C=C/C=C/C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl 3501068 FKBLMGQYNHIZEU-YTXTXJHMSA-N 307.777 3.571 0 40 DHAB COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1OC 3608460 LIAQIKCXNXMPTO-UHFFFAOYSA-N 324.380 3.756 0 40 DHAB O=C(c1ccc(Cl)nc1)N1CCC(Cc2ccccc2)CC1 4374869 XCJAVZRNIRNCAU-UHFFFAOYSA-N 314.816 3.830 0 40 DHAB Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3[nH]2)CC1=O 5210392 BVIUYBMSDVDPLA-CQSZACIVSA-N 305.381 3.700 0 40 DHAB COc1ccc(-c2ccc3c(n2)sc2c(O)cc(=O)[nH]c23)cc1 5817928 BDURFCILXFCAKG-UHFFFAOYSA-N 324.361 3.519 0 40 DHAB CCc1cccc(CC)c1-n1c(S)nnc1-c1cccnc1 6179728 OVERFFTYHTZZPI-UHFFFAOYSA-N 310.426 3.743 0 40 DHAB CCCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12 6245871 NGUYJAPOSOJNSR-UHFFFAOYSA-N 324.380 3.534 0 40 DHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccccc1 7038628 SGNJLMBFMSCFPM-GFCCVEGCSA-N 319.836 3.992 0 40 DHAB Nc1nnc(SCc2cccc(Cl)c2)n1-c1ccccc1 7097925 AMVFJSKTOVXYRE-UHFFFAOYSA-N 316.817 3.795 0 40 DHAB CN1C(=O)/C(=C/c2cccc(Br)c2)c2ccccc21 8091845 PKHMMYNAEOMVOW-GXDHUFHOSA-N 314.182 3.966 0 40 DHAB Cc1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 8190321 MGDKEYKNIGXVEC-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(OC(F)F)cc2)C1 8685407 GIEMNARTKVACPE-GHMZBOCLSA-N 314.401 3.963 0 40 DHAB O=C1C[C@@H](c2cccnc2)Oc2ccc(Br)cc21 8993672 HPIKEKWGPKDJPK-AWEZNQCLSA-N 304.143 3.551 0 40 DHAB Cc1ccc(CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 9194376 DHTQINXWQFUAQM-UHFFFAOYSA-N 321.376 3.648 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 9367388 TWCMYQIIFFNSAX-CABZTGNLSA-N 315.373 3.796 0 40 DHAB CC(C)c1n[nH]c(SCc2ncc(-c3ccccc3)o2)n1 9451592 OYHGXYBOSUFHLW-UHFFFAOYSA-N 300.387 3.875 0 40 DHAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2F)c1 10543950 SZNAAGDCIVHEQU-AWEZNQCLSA-N 321.417 3.623 0 40 DHAB Cc1n[nH]c(SCc2nc(-c3ccc(C(C)C)cc3)no2)n1 11704855 FVHKVGBLQYWLMJ-UHFFFAOYSA-N 315.402 3.579 0 40 DHAB O=C(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCC3 12899693 BEBJVSQVLRLDHU-UHFFFAOYSA-N 304.393 3.977 0 40 DHAB COc1ccc(-c2nc(C)c(C(=O)NCCC(C)C)s2)cc1 12935846 WGLKHZYHMUDTPG-UHFFFAOYSA-N 318.442 3.903 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1C 13000229 UWTZWXAWRDRVBK-UHFFFAOYSA-N 308.337 3.952 0 40 DHAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)oc2c(Cl)cccc12 14171251 QQEHFIFWNCDRGE-AOOOYVTPSA-N 307.777 3.644 0 40 DHAB C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 16470164 XGRYPXVIHFYUFB-GFCCVEGCSA-N 323.348 3.695 0 40 DHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1ccncc1 18124433 IZZZSJZBJGVICX-UHFFFAOYSA-N 310.441 3.968 0 40 DHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2[nH]1 21611998 GCTYIERVOXLZBG-QWHCGFSZSA-N 317.458 3.835 0 40 DHAB CC[C@@H](C(=O)NCc1cc(-c2ccco2)on1)c1ccccc1 22768612 ZIEYWMTVEPDHRZ-OAHLLOKOSA-N 310.353 3.745 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2ccc(C)cc2C)cc1 24706074 URJPAOUADCRLOH-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB CN(Cc1ccccc1)C(=O)Cc1csc(-c2ccco2)n1 25093626 BNCNGMIMOFRMFZ-UHFFFAOYSA-N 312.394 3.604 0 40 DHAB O=C(Nc1nc(-c2ccccc2)n[nH]1)c1csc2c1CCCC2 25155441 FTENYQVQGRXGRN-UHFFFAOYSA-N 324.409 3.664 0 40 DHAB O=C(Nc1nccs1)c1cc(-n2cccc2)ccc1Cl 31813159 XJNUZXJQULFNLC-UHFFFAOYSA-N 303.774 3.840 0 40 DHAB CCOc1cc(C(=S)N2CCCC2)ccc1OCC(C)C 33749138 GFPGGZXVQVLDAS-UHFFFAOYSA-N 307.459 3.891 0 40 DHAB CCCc1nsc2nc(-c3ccccc3Cl)oc(=O)c12 40464773 HWVWGVMDEKDWEK-UHFFFAOYSA-N 306.774 3.917 0 40 DHAB Nc1nc(Cl)cc(N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 45025021 PEPCYCGZZMGCEL-CYBMUJFWSA-N 309.200 3.929 0 40 DHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2cnco2)cc1 47412933 UWQFADKYXVDEAK-INIZCTEOSA-N 320.348 3.595 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)NC2CC(C)(C)NC(C)(C)C2)C1(C)C 48311014 XOJFICJMISYQQV-LSDHHAIUSA-N 306.494 3.650 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1 51354312 MBOJCSQNZDXWHE-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB CCOCc1ccccc1NC(=O)NCc1ccccc1OC 52468749 GTWZWUDGBWZJSH-UHFFFAOYSA-N 314.385 3.553 0 40 DHAB CCC[C@@H](C)NC(=O)Nc1cc(NC(=O)C2CC2)ccc1C 58148736 BKMPTNGRLMVWEV-GFCCVEGCSA-N 303.406 3.654 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2cnc3ccccc3c2)c1 58441745 OSXKYJXRGVOFQU-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB Cc1c(C(=O)N2CCOCC2(C)C)sc2cccc(F)c12 60101878 JYEYQHGYQBLLBO-UHFFFAOYSA-N 307.390 3.600 0 40 DHAB Clc1ccccc1CNCc1ccc(C2OCCO2)cc1 69898320 CEDSFHAAWCUZPZ-UHFFFAOYSA-N 303.789 3.675 0 40 DHAB O=C(CCCOc1ccc(F)cc1)N1CCC[C@@H]1c1ccc[nH]1 71818768 OQICOXMNNZYLEI-QGZVFWFLSA-N 316.376 3.677 0 40 DHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)c1c(C)noc1C 71853519 UHIZAIDJJZQELC-NOZJJQNGSA-N 322.355 3.941 0 40 DHAB CN(Cc1ccccc1)c1ccc([C@H](O)c2ccccc2)cn1 72225371 JMRRVPUTQIKHLX-HXUWFJFHSA-N 304.393 3.800 0 40 DHAB CCc1cc(NC(=O)c2ncoc2-c2ccccc2Cl)[nH]n1 76082841 MXIYAQJQRGGFMT-UHFFFAOYSA-N 316.748 3.533 0 40 DHAB COC(=O)C(C)(C)C(C)(C)NCc1ccccc1OC(C)C 79109520 FPBICRGBYQDYKF-UHFFFAOYSA-N 307.434 3.541 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)Nc1ccc([S@](C)=O)cc1 80127818 CTMITDMDXVJUDP-WHEQGISXSA-N 316.426 3.615 0 40 DHAB CC1=CCN(C(=O)Nc2ccc(Br)c(C)c2)CC1 89587490 HDUYEPCGVMSVGP-UHFFFAOYSA-N 309.207 3.941 0 40 DHAB Cc1nccn1-c1ccc([C@@H](C)Nc2nc(C3CC3)no2)cc1 89735856 GOIHQCKSGKAITE-LLVKDONJSA-N 309.373 3.614 0 40 DHAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)N1CCC[C@@H]1c1ccc[nH]1 89827968 PRZKEXAFWQRIOW-LZLYRXPVSA-N 309.413 3.665 0 40 DHAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)[C@@H]1CC=CCC1 90607223 POYMGYQWAWSGQG-CQSZACIVSA-N 307.397 3.791 0 40 DHAB O=C(c1cc(-n2cccn2)ccn1)N(C1CCCC1)C1CCCC1 95398761 NPUUXAJSMHCQKZ-UHFFFAOYSA-N 324.428 3.595 0 40 DHAB CC[C@@H](NCc1cccc(C(=O)NC)c1)c1cc(F)ccc1F 95420963 MXSYFUQFMAAWDS-QGZVFWFLSA-N 318.367 3.565 0 40 DHAB O=C(Nc1cccc(OCCc2cccnc2)c1)c1ccco1 95941901 UFXZKYYVILBPAZ-UHFFFAOYSA-N 308.337 3.548 0 40 DHAB CC[C@@H](C)Oc1cc(C(=O)N(c2cccnc2)C(C)C)ccn1 95990923 DNPQOSKWZMFMHM-CQSZACIVSA-N 313.401 3.709 0 40 DHAB CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc(Cl)cc1 96191638 VYYYKDDUWOFAGZ-OAHLLOKOSA-N 302.761 3.939 0 40 DHAB Cn1cc(CN[C@H]2CCCOc3c2ccc2ccccc32)cn1 96460040 HORCHTPFIMRMHE-SFHVURJKSA-N 307.397 3.577 0 40 DHAB C[C@]1(C(=O)Nc2ccc(-c3cnco3)cc2)CC1(Cl)Cl 97444314 HYKJDZTZFUVJPJ-CYBMUJFWSA-N 311.168 3.864 0 40 DHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 100831820 RSMCDIGUYNLUPN-BNXFAOBVSA-N 323.521 3.842 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)[C@H]1CCc2ccccc21 105673945 MZHKJKBRTVVPNC-YWZLYKJASA-N 320.436 3.584 0 40 DHAB O=C1O[C@@H](Nc2nc(-c3ccc(F)cc3)cs2)c2ccc#cc21 140071101 TWOLPFYVGQCEOG-OAHLLOKOSA-N 324.336 3.831 0 40 DHAB CCNC(=O)c1ccc(Nc2cc(Cl)ccc2C)c(N)c1 212692911 UYZSIMMRVFCZNG-UHFFFAOYSA-N 303.793 3.724 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)OCO2 216386485 SCLWSGOXJQOROP-AWEZNQCLSA-N 313.353 3.520 0 40 DHAB COc1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219849305 MKOLFDFHBAQLHZ-UHFFFAOYSA-N 324.424 3.859 0 40 DHAB Cc1cccc(CCCNC(=O)COc2cccc(Cl)c2)c1 222768518 ZRIQULHLVVVYTL-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB Cc1ccc(CSCCNC(=O)Cc2ccc(F)cc2)cc1 223347844 BBEKQLOBUDPHTR-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1C1CCCC1 225004665 WGWUYEILIXJMRZ-JKSUJKDBSA-N 313.426 3.590 0 40 DHAB Cc1ccccc1O[C@H]1CCCC[C@H]1N1CCN[C@@H]2CCC[C@@H]21 225717980 FUJSTKVKXGEKGI-RMJJICAUSA-N 314.473 3.511 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)C1 253476765 BGMMDRMBSMZBJT-UQZKUAJDSA-N 323.521 3.557 0 40 DHAB Cc1cn(C)c([C@@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 257251187 JPTKDIXDLAULGG-MRXNPFEDSA-N 308.429 3.589 0 40 DHAB CSc1ncc(/C=C/C(=O)Nc2cccc(Cl)c2)cn1 408532166 NSZUQHCUZJWOFM-AATRIKPKSA-N 305.790 3.504 0 40 DHAB COC(=O)CCCCC(=O)c1ccccc1OC(F)(F)F 575359236 WUOWAHBDBBGEIK-UHFFFAOYSA-N 304.264 3.501 0 40 DHAB Cc1cc2nc(C)c(C(=O)OCc3ccccc3)nc2cc1C 604941610 XSTSMYLWFGCSDG-UHFFFAOYSA-N 306.365 3.912 0 40 DHAB O=C(NC1CCC(n2cccn2)CC1)c1cc2ccccc2o1 618255890 AEQWXVCHNVDZLH-UHFFFAOYSA-N 309.369 3.543 0 40 DHAB FC(F)(F)c1nc(Br)sc1Br 694984301 DTGZFYCKSVWQQG-UHFFFAOYSA-N 310.920 3.687 0 40 DHAB Cc1ccc(Nc2ncnc(C3CCOCC3)c2F)cc1C 1888855820 PDTXWJRLPCAKEF-UHFFFAOYSA-N 301.365 3.870 0 40 DHAB Cc1c(Cl)cccc1-n1nnnc1-c1ccc(Cl)cc1 338097 OTOVTUNMEGHBOK-UHFFFAOYSA-N 305.168 3.945 0 40 DHAB Cc1nnc(SCC(=O)c2ccccc2)n1Cc1ccccc1 421393 CAMRZLGQEARZNA-UHFFFAOYSA-N 323.421 3.610 0 40 DHAB O=C1NC2(CCCCC2)N(C(=O)c2ccccc2)C2=C1CCCC2 1443468 XMFPXQGMECEHSO-UHFFFAOYSA-N 324.424 3.747 0 40 DHAB CCOC(=O)[C@H](c1ccccc1)P(=O)(OCC)OCC 1737248 VATZVSVTINADGG-ZDUSSCGKSA-N 300.291 3.557 0 40 DHAB COc1cc(Br)c(Br)c2[nH]ccc12 2526996 WTWQKKHLJQVITE-UHFFFAOYSA-N 304.969 3.702 0 40 DHAB CN(C)c1cccc(C(=O)Nc2ccccc2OC(F)F)c1 3327486 XSAKCCKPFZQNFB-UHFFFAOYSA-N 306.312 3.606 0 40 DHAB O=C(O)Cc1sc(NCc2ccco2)nc1-c1ccccc1 3452845 RTJZHRZDRSVKHX-UHFFFAOYSA-N 314.366 3.642 0 40 DHAB CC(=O)c1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 3611427 XDKXMZZSUHBUQY-UHFFFAOYSA-N 305.280 3.743 0 40 DHAB CCCCCn1cc(C(=O)C(=O)NC(C)C)c2ccccc21 4653547 AFYPYIOOHRCVHJ-UHFFFAOYSA-N 300.402 3.539 0 40 DHAB Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1 5153720 MJQDGQAXMCTLKV-CYBMUJFWSA-N 320.392 3.644 0 40 DHAB COC(=O)c1ccccc1NC(=S)Nc1ccccc1Cl 6288512 AWGQKZIJZJCRDF-UHFFFAOYSA-N 320.801 3.936 0 40 DHAB [O-][n+]1c2c(n(O)c1[C@H]1C[C@@H]3C=C[C@H]1C3)-c1cccc3cccc-2c13 6863632 KZAPWUFFZFBXGV-FFSVYQOJSA-N 316.360 3.839 0 40 DHAB CCc1ccc(NC(=S)NCc2ccccc2OC)cc1 6941340 VKJNABKNOJYWNK-UHFFFAOYSA-N 300.427 3.744 0 40 DHAB CC[C@H](NC(=O)COc1cccc(F)c1)c1ccc(C)cc1 7792592 HULKVTIGSSUSCZ-KRWDZBQOSA-N 301.361 3.780 0 40 DHAB CC(C)(C)[C@@H]1CCc2c(sc3nc4n(c(=O)c23)CCC4)C1 7996745 FADJAHKFFXSUTF-SNVBAGLBSA-N 302.443 3.555 0 40 DHAB Cc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2o1 8109972 RLURRQWJSUHCCY-UHFFFAOYSA-N 322.773 3.590 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)c(C)c1 8109994 MUDCCQBQTGCQJG-UHFFFAOYSA-N 316.382 3.554 0 40 DHAB O=C(Nc1ccccn1)c1ccc(C(=O)c2ccccc2)cc1 9322680 CVWGTWIZOZMVRC-UHFFFAOYSA-N 302.333 3.565 0 40 DHAB COc1ccc(Cl)cc1CSC1=N[C@@H]2CCCC[C@H]2N1 9722576 ODDKGRZCRWWFJM-CHWSQXEVSA-N 310.850 3.852 0 40 DHAB COc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C)c(C)c2)cc1 11801704 LTRVTUGIMDNHEC-UHFFFAOYSA-N 322.364 3.863 0 40 DHAB Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C(C)C)on1 12186866 HGTUHSIXDQIKRH-LBPRGKRZSA-N 300.406 3.800 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(F)c3)c12 12781231 XLFCNYSCZWNILL-UHFFFAOYSA-N 311.316 3.800 0 40 DHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)cc(F)c1 12820577 GVYIPGAHYOVSDJ-NWDGAFQWSA-N 307.262 3.816 0 40 DHAB COC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12880841 CEMVWUWJFMTFLO-SNVBAGLBSA-N 314.366 3.543 0 40 DHAB CC(C)(C)C(=O)Nc1cccc(C(=O)NCc2cccs2)c1 12978393 MPTKLMJCFZYLRH-UHFFFAOYSA-N 316.426 3.663 0 40 DHAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1cc(C)ccc1C 13671947 FDIXOMBTGGTSRJ-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB COc1ccccc1Oc1ccc2nnc(-c3ccccc3)n2n1 13723925 ZKHLQNHDSCDWTE-UHFFFAOYSA-N 318.336 3.592 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 14006558 URFTZCFXLQQZMM-JTQLQIEISA-N 323.751 3.894 0 40 DHAB COc1cc(C(=O)NCCC2=CCCCC2)cc(Cl)c1OC 22651632 AXDHDCVKOJSFGS-UHFFFAOYSA-N 323.820 3.978 0 40 DHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)C1CCOCC1 23272136 MEAUOGHJQGMRJL-BQYQJAHWSA-N 308.381 3.617 0 40 DHAB CC[C@H](CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 24978855 PHRBRKTYPVZICI-CYBMUJFWSA-N 323.845 3.812 0 40 DHAB CCOc1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1 28403672 OBBAKSFDRODFEN-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB Cc1nnc(NC(=O)c2ccc(-c3cccs3)cc2F)s1 30561182 SFPDSGRLIYKLQN-UHFFFAOYSA-N 319.386 3.966 0 40 DHAB O=C(c1cc2ccccc2o1)N1CCO[C@H](c2ccccc2)C1 30765088 QTCPTDAAIICHTI-SFHVURJKSA-N 307.349 3.647 0 40 DHAB O=C(NCC(F)(F)F)c1ccc(-c2ccccc2F)s1 32818120 QTVZKWWEIVBUSK-UHFFFAOYSA-N 303.280 3.846 0 40 DHAB CCC[C@H](C)NC(=O)c1sc2nc(CC)nc(C)c2c1C 32903235 YFTQOOPGITVBCJ-VIFPVBQESA-N 305.447 3.789 0 40 DHAB Cc1ccc(OC(=O)c2cc(Br)ccc2N)cc1 39951698 SKXWWWPZAHFWMX-UHFFFAOYSA-N 306.159 3.559 0 40 DHAB CN(C)C(=O)[C@@H](Nc1cccc2c1CCCC2)c1ccccc1 39982329 RKILEGWDLZLYJV-IBGZPJMESA-N 308.425 3.807 0 40 DHAB O=C(CCc1ccsc1)Nc1ccccc1Cn1cccn1 40090482 WENNGRWIAFJWEG-UHFFFAOYSA-N 311.410 3.564 0 40 DHAB CCc1nc(NC(=O)c2ccc(OC(F)F)cc2)sc1C 40118931 LOWXNVZXGQVUHK-UHFFFAOYSA-N 312.341 3.868 0 40 DHAB CN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1Cl 40158960 HCRKUNSTHQKWKV-UHFFFAOYSA-N 314.168 3.624 0 40 DHAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 44900207 TWFBCTMWPFLCLI-XYYIANASSA-N 309.365 3.614 0 40 DHAB Oc1nc(CN2CCC[C@H]2c2ccsc2)nc2ccsc12 44977598 FYYQJYCNLNUQLW-LBPRGKRZSA-N 317.439 3.796 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1c[nH]cc1-c1ccccc1 45856995 RVBDHPMJNKBKCA-UHFFFAOYSA-N 306.321 3.663 0 40 DHAB CC/C=C(\C)C(=O)NCc1cccnc1OCc1ccccc1 48412583 NFDQYEMNUJCEQZ-OVCLIPMQSA-N 310.397 3.633 0 40 DHAB COc1ccc(C)cc1Nc1cc(N)nc(-c2ccccc2F)n1 49467887 UDQGKQKFNBYVFI-UHFFFAOYSA-N 324.359 3.926 0 40 DHAB Cc1cc(NC(=O)CNc2ccc(-c3ccccc3)cc2)on1 55527526 BNZCXDIXJRBFIG-UHFFFAOYSA-N 307.353 3.701 0 40 DHAB Cc1ccc([C@H](C)N(C)CC(=O)N2CCc3ccccc32)cc1 59038192 AOFFDXKDCVPYNY-INIZCTEOSA-N 308.425 3.577 0 40 DHAB COCCOc1cccc(C(=O)N(C)C2CCCCCCC2)c1 60303200 QPNOPEUQVWHETD-UHFFFAOYSA-N 319.445 3.897 0 40 DHAB CSc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1 64572324 NBCCXZBMKJNVGX-UHFFFAOYSA-N 315.504 3.902 0 40 DHAB Cc1noc(C)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C 65533963 AMMLVQOGIKQRLN-UHFFFAOYSA-N 314.429 3.909 0 40 DHAB Cc1cnn([C@@H](C)[C@@H](C)NCc2csc(-c3ccco3)n2)c1 69459497 SNNDGHRGBAERMJ-OLZOCXBDSA-N 316.430 3.647 0 40 DHAB Cc1occc1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 69537242 IRPMNFPSWPNPKR-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB Cc1ccc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)o1 69771122 MNJMYAXEQRJNSS-ZDUSSCGKSA-N 319.332 3.537 0 40 DHAB CC[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1nc(C)cs1 69843721 DMKJJKOBUKTAGA-KCJUWKMLSA-N 307.246 3.603 0 40 DHAB Cc1nccn1CCCC(=O)N[C@@H](c1ccccc1)C1CCC1 69896849 LRPXLILKAVFUBB-IBGZPJMESA-N 311.429 3.629 0 40 DHAB Fc1ccc(-c2n[nH]cc2CNc2ccc3cc[nH]c3n2)cc1 72151223 VXSMMAXUDFWLSG-UHFFFAOYSA-N 307.332 3.704 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(C)c2)cc1 75138352 RQJGJEHSSNRPPD-UHFFFAOYSA-N 301.321 3.737 0 40 DHAB Cc1ccc(F)cc1NCc1csc(-c2cnn(C)c2)n1 79068319 MJRWKKWYGWFQPE-UHFFFAOYSA-N 302.378 3.603 0 40 DHAB O=C(C[C@@H]1CC(=O)Oc2ccccc21)Nc1ccc2cc[nH]c2c1 79193629 YPFVYNZCGUMOFU-CYBMUJFWSA-N 320.348 3.589 0 40 DHAB biogenic O=C(CN1CCC[C@H]1c1cccc2ccccc12)N1CCCC1 84598321 NNHFZAOLLIMRMH-IBGZPJMESA-N 308.425 3.599 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NC[C@H](C)c2c(C)noc2C)c1 90762851 ZVSACHBDANCMJU-NWDGAFQWSA-N 315.417 3.704 0 40 DHAB Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3)no2)cc1 96105659 BKWDIXYLJGYAQT-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB CN(c1nc(CSc2nnc(C(C)(C)C)o2)cs1)C1CC1 96469058 FRRKNCQVOAPLCT-UHFFFAOYSA-N 324.475 3.715 0 40 DHAB COC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1Cl 96694357 OGDKGPNQXWNCQW-UHFFFAOYSA-N 317.772 3.996 0 40 DHAB Cc1csc(COC(=O)c2nc(C)oc2-c2ccccc2)n1 97115641 ROFZCMVBHLQOJX-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB O=C(c1ccncc1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166289 FKVCXWYWHMFSDY-ROUUACIJSA-N 310.372 3.772 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 103104881 VIKSNPXNJHXPBK-VPWXQRGCSA-N 323.440 3.817 0 40 DHAB C[C@H](N[C@H](C)C1CCCCC1)C(=O)N[C@@H](C)c1ccccc1 108090045 JZUWJAHQMDUHSO-PMPSAXMXSA-N 302.462 3.811 0 40 DHAB COc1ccc(CC(=O)N(C)c2ccc(C)c(C)c2)cc1OC 222940479 YAWKAUVMXWZTIM-UHFFFAOYSA-N 313.397 3.526 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1F 223256961 YNPVBYOEGQFGBY-GFCCVEGCSA-N 313.372 3.814 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1C 223370719 KFICVGSFKGLUKU-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CC(C)Oc1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225324033 BLKFJZSTOWRFQX-XJKCOSOUSA-N 304.459 3.949 0 40 DHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)nc1 225886580 AIDDAICLFPNEIP-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB C[C@H](O)c1ccc(NC(=O)c2ccccc2Br)cc1 226272949 LMPMVDAUKPODAD-JTQLQIEISA-N 320.186 3.755 0 40 DHAB CCCC(=O)Nc1ccc(N(C)C(=O)C(F)(F)F)cc1Cl 226285948 JPILZOAMXDHBMT-UHFFFAOYSA-N 322.714 3.604 0 40 DHAB CC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3o2)c1 226774713 UZSNOHYMPFVJBK-UHFFFAOYSA-N 318.194 3.873 0 40 DHAB CC(=O)N1CCC[C@@H](c2ccc(-c3nc(C)c(C)s3)cn2)C1 257329778 XLNAFXHJKIRSQT-OAHLLOKOSA-N 315.442 3.548 0 40 DHAB C[C@H](NC(=O)N1CC[C@@H](C2CCCC2)C1)c1cccc(O)c1 333786478 VLPOENQXPDSAEB-XJKSGUPXSA-N 302.418 3.675 0 40 DHAB CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cc(C)ccc21 408713126 LCGCUDZZWCGUEE-UHFFFAOYSA-N 306.365 3.582 0 40 DHAB C[C@@H]1Cc2ccccc2N(C(=O)C2=Cc3cc(F)ccc3OC2)C1 1520970319 WLYDFCLRINPPEF-CYBMUJFWSA-N 323.367 3.827 0 40 DHAB CCN(CC)C[C@H](C)NC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 1563812543 OJMWNEKBOUJQRM-JYJNAYRXSA-N 311.514 3.573 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccccn1 87562 LNDCDPOELJNVPJ-GOSISDBHSA-N 301.349 3.853 0 40 DHAB Cc1ccc(OC(=O)CCC(=O)Nc2c(C)cccc2C)cc1 136023 VVQDMMYEYGMBQN-UHFFFAOYSA-N 311.381 3.936 0 40 DHAB Cc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3[C@H]1C[C@@H]2C 377041 FWIJUQKNNLLVQY-XHDPSFHLSA-N 307.349 3.902 0 40 DHAB biogenic Cc1nc(-c2ccc(NC(=O)c3ccccc3F)c(C)c2)no1 1428884 HQRMVPOSJYOKNH-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB Cc1nc2ccc(NC(=O)COc3cccc(F)c3)cc2s1 2639328 UAPCJERSCHXJNX-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB COc1ccc(NC(=O)COC(=O)CCC2CCCCC2)cc1 3253750 VTADGPIPHSCTQE-UHFFFAOYSA-N 319.401 3.537 0 40 DHAB Cc1ccccc1CN(C)CC(=O)N[C@@H]1CCCc2ccccc21 3423776 RDLOHYCJUWIJSN-HXUWFJFHSA-N 322.452 3.621 0 40 DHAB COc1ccccc1NC(=O)COc1cc(C)ccc1Cl 3494305 NJCUWEKIAXDATJ-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB COc1ccccc1CNC(=O)c1cccc(C(F)(F)F)c1 3614920 JUPRGMVLUSGMGJ-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB O=C(OCc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 3892236 GUVZHLGZXUAVJF-UHFFFAOYSA-N 310.397 3.823 0 40 DHAB CC[C@H](C)c1ccc(OCc2nnc(NC(=O)OC)s2)cc1 4694994 GRRIVRQDFXWMMG-JTQLQIEISA-N 321.402 3.809 0 40 DHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 5127228 LZQZDYAUMUMYHP-UHFFFAOYSA-N 316.372 3.768 0 40 DHAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccccc3C)o2)c1 5169671 VWQDOWUBECCPKE-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 5628418 XXFFNUBOFHXZRJ-YNEHKIRRSA-N 317.458 3.738 0 40 DHAB O=C(O)c1ccc(CSc2nnc(-c3ccccc3)o2)cc1 6890402 DTEGDUFPGODBKB-UHFFFAOYSA-N 312.350 3.727 0 40 DHAB 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COc1ccc(NC(=O)Cc2ccccc2C)cc1OC(F)F 12766117 DDRMZMPTIGSWKM-UHFFFAOYSA-N 321.323 3.786 0 40 DHAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1ccccc1 12778395 YIWRFNOYGBFTJC-HNNXBMFYSA-N 321.829 3.866 0 40 DHAB O=C(Cc1c(F)cccc1Cl)Nc1ccc2[nH]ncc2c1 13323846 BLFKUJWEDXMUBQ-UHFFFAOYSA-N 303.724 3.537 0 40 DHAB COCc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 14247113 NXZKCZDQZLAQEB-LLVKDONJSA-N 305.324 3.602 0 40 DHAB CC(C)(C)SCCNC(=O)c1ccc(N2CCCCC2)cc1 14398770 DSKFRUMLRBOWGC-UHFFFAOYSA-N 320.502 3.938 0 40 DHAB Cc1ccc(SCC(=O)NCCOc2cccc(C)c2)cc1 15402783 MKANXVPKMNTRLT-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB Fc1ccc(COc2ccccc2CNC[C@@H]2CCCO2)cc1 16449636 CCVZNTNGGAYUMJ-SFHVURJKSA-N 315.388 3.673 0 40 DHAB CCc1ccc(NC(=S)NC(=O)/C=C\c2ccccc2)cc1 17024807 VGWUPSXJVDFTIE-RAXLEYEMSA-N 310.422 3.775 0 40 DHAB Cc1cs/c(=N\C(=O)c2ccccc2)n1CCc1ccccc1 17117734 ZYABXRWHKXLZEG-VXPUYCOJSA-N 322.433 3.842 0 40 DHAB CC(C)CC[C@@]1(CCNCCN(C)C)CCO[C@H](C(C)C)C1 20649287 SDZRWKJHFVQPCS-RBUKOAKNSA-N 312.542 3.785 0 40 DHAB Brc1ccc(-c2nnc(-c3ccccn3)o2)cc1 20717213 ORSUOGSWJBBHJU-UHFFFAOYSA-N 302.131 3.561 0 40 DHAB Cc1cc(CN(C)C(=O)c2cc(F)c(Cl)cc2Cl)no1 25137605 IPBLYRIRBNHKLT-UHFFFAOYSA-N 317.147 3.701 0 40 DHAB Cc1cc2occ(CC(=O)Nc3cnn(C)c3)c2cc1C(C)C 25305345 OVJXHWJDOOWZFT-UHFFFAOYSA-N 311.385 3.779 0 40 DHAB CC(C)c1cc(C(N)=O)c(NC(=O)c2cc(F)ccc2F)s1 27927532 FDXDSMPNTILCQV-UHFFFAOYSA-N 324.352 3.501 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 32645841 GMOZCCJXSZPVSC-RISCZKNCSA-N 312.344 3.673 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)CCc2ccco2)cc1 32716961 XQOJOVQIJCLRKK-HNNXBMFYSA-N 313.397 3.688 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccccc2)c2ccccc12 35685856 RAOKNRXOTDIEBX-UHFFFAOYSA-N 313.378 3.649 0 40 DHAB COc1ccc([C@H]2CCN(C(=O)c3ccccc3Cl)C2)cc1 38566488 QXIXSNPVLVMNJU-AWEZNQCLSA-N 315.800 3.978 0 40 DHAB O=C(CCOC[C@@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 40107351 DMKCSJMFKJQYKB-NSHDSACASA-N 318.200 3.518 0 40 DHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc[nH]c1=S 40512430 PDZLMEXWCLXCEH-UHFFFAOYSA-N 324.365 3.579 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CCC[C@@H](C(F)(F)F)C1 44966751 DXLJJSQHSRSJSF-DTWKUNHWSA-N 319.352 3.723 0 40 DHAB CC(C)CCC(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 48302228 GQFQUGWISQWOMB-KRWDZBQOSA-N 316.489 3.971 0 40 DHAB Cc1nccn1Cc1cccc(CNC(=O)C=C2CCCCC2)c1 55992467 OIBVKCNGEKBATK-UHFFFAOYSA-N 323.440 3.747 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](C)c1cccs1 58278304 IYRSHEVZJDOANM-JTQLQIEISA-N 316.382 3.724 0 40 DHAB O=C(NCc1ccncc1)N1CCC[C@@H](c2ccccc2)CC1 67358885 LQSZLXYJHRDTHQ-GOSISDBHSA-N 309.413 3.561 0 40 DHAB CCCNC(=O)[C@@H](C)SCc1cccc(Br)c1 69383833 XZSIYOSMBGCCAQ-SNVBAGLBSA-N 316.264 3.597 0 40 DHAB CO[C@H]1CCCN(C(=O)c2ccccc2N(C)c2ccccc2)C1 76244843 JKEHJSNZYQQZHE-KRWDZBQOSA-N 324.424 3.706 0 40 DHAB CCn1c([C@@H]2CCCN2Cc2ccccn2)nc2ccccc21 84131217 XMAZGNJJDOEIJH-SFHVURJKSA-N 306.413 3.788 0 40 DHAB O=C(NCC1CCCCCCC1)[C@@H]1CCCN1c1nccs1 84618220 ASTDIPLECYVOOS-HNNXBMFYSA-N 321.490 3.589 0 40 DHAB Cc1nc(-c2ccccc2F)sc1CNC(=O)NC(C)(C)C 85470999 OLRQWSQZMKSNPY-UHFFFAOYSA-N 321.421 3.855 0 40 DHAB Cc1csc(CS(=O)(=O)Cc2ccc(C(C)C)cc2)n1 86995245 WAMMILVCLLSTBI-UHFFFAOYSA-N 309.456 3.690 0 40 DHAB CC(C)c1cc(C(=O)Nc2c(F)cccc2NC2CC2)n(C)n1 95413009 OPAZGLZCDRUEQR-UHFFFAOYSA-N 316.380 3.509 0 40 DHAB CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)cc1 95426569 DAPJPDOTQASNJM-LJQANCHMSA-N 310.441 3.547 0 40 DHAB C[C@@H](c1cccc(-c2ccncc2)c1)N(C)CCn1cccn1 95459794 NPHSGKBUVYNAEZ-INIZCTEOSA-N 306.413 3.638 0 40 DHAB CC(C)(CC(=O)Nc1nc2c(s1)CCC2)c1ccccc1 95956131 FJIWPAUIQOJQGV-UHFFFAOYSA-N 300.427 3.938 0 40 DHAB CC[C@@H](NC(=O)Nc1cc(C(C)(C)C)on1)c1nccs1 96415903 VMSYQNAVZOZBDP-SECBINFHSA-N 308.407 3.701 0 40 DHAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1C[C@H](C)c2ccccc21 96486617 PPPXBDDUIYXYMO-JKDFXYPNSA-N 311.429 3.885 0 40 DHAB O=C1OC(c2ccccc2OC(F)F)=N/C1=C/c1ccsc1 96635214 NOKBVIASCHEGJJ-YRNVUSSQSA-N 321.304 3.694 0 40 DHAB CC(C)N(C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(C)C 101244114 MPYNMCRQCDYTCP-BMFAXAFESA-N 311.510 3.698 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 103249483 YEVVSXREWCKLQT-CBBWQLFWSA-N 321.848 3.968 0 40 DHAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)c1csnn1 104463572 ZSBQNCDOQSXQTN-CQSZACIVSA-N 321.833 3.853 0 40 DHAB C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)C1)n1ccnc1-c1ccccc1 107592188 IMQQOVKHAUOSBO-VYDXJSESSA-N 311.429 3.806 0 40 DHAB COc1ccc2[nH]cc(CCC(=O)c3ccc4c(c3)OCO4)c2c1 199737199 VMRMAORFPZSNBB-UHFFFAOYSA-N 323.348 3.721 0 40 DHAB O=C(Cc1cccs1)N1CCS[C@@H](c2ccccc2)CC1 211142590 PAMUFTPVOFZTTN-MRXNPFEDSA-N 317.479 3.997 0 40 DHAB CC(C)Oc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1 223238882 ZWCOFQABBKZPTQ-UHFFFAOYSA-N 317.816 3.986 0 40 DHAB Cc1ccc(NC(=S)NCCSC2CCCCC2)nc1 225359329 CIURPXJZNZQWPH-UHFFFAOYSA-N 309.504 3.742 0 40 DHAB NC(=O)CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 226345247 ZFHPKJKDLJMQCI-UHFFFAOYSA-N 324.207 3.990 0 40 DHAB CCCN(c1ccc(Br)cc1)[C@H](CC)C(=O)O 260677573 HZHQQQAAHNPJHE-GFCCVEGCSA-N 300.196 3.529 0 40 DHAB COc1ccc(C(=O)Oc2ccccc2/C=C(\C)[N+](=O)[O-])cc1 408527058 JUMVEGLAHOYHPP-VAWYXSNFSA-N 313.309 3.552 0 40 DHAB CC(C)(CN1CCCC1)NC(=O)c1ccc(-c2ccccc2)cc1 1529254496 LGNYIGHQJOZQOD-UHFFFAOYSA-N 322.452 3.958 0 40 DHAB Cc1c(Br)cccc1CN(C)c1ccccc1CO 1559944164 IBGNLOJFVBTJFL-UHFFFAOYSA-N 320.230 3.886 0 40 DHAB O=S1c2cc(F)c(F)cc2Sc2cc(F)c(F)cc21 1775953929 FJNMYEBXFNFTBJ-UHFFFAOYSA-N 304.289 3.874 0 40 DHAB C[C@](N)(CC(=O)c1c(F)cccc1F)c1c(F)cccc1F 2050025168 XSFRPOQBNKVAAG-INIZCTEOSA-N 311.278 3.690 0 40 DHAB O=C(Nc1ccc(Cl)nc1)c1cccc(Br)c1 40507 XUOXUMGYOCDABJ-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB COc1cc(N[C@@H]2OC(=O)c3ccccc32)c(OC)cc1Cl 100217 JMJLOFCOIZQUDO-OAHLLOKOSA-N 319.744 3.638 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2ccc(CC)cc2)c1Cl 385528 FGLIWKXAMGQGPJ-UHFFFAOYSA-N 305.809 3.841 0 40 DHAB Cc1cccc(-c2nnc3sc(Cc4cccs4)nn23)c1 525678 MFCIPFLVHAEJRZ-UHFFFAOYSA-N 312.423 3.814 0 40 DHAB CC(=O)N(c1nnc(-c2cccc(C)c2)s1)C1CCCC1 1345377 KSOFYBQWPSPROS-UHFFFAOYSA-N 301.415 3.809 0 40 DHAB COc1cc([C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc(OC)c1OC 1595292 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VJSSAQRTUGNZCZ-MRXNPFEDSA-N 321.298 3.503 0 40 DHAB O=C(NCCSCc1cccs1)Nc1ccc(F)cc1 14242808 CMMRYRLJHMYODR-UHFFFAOYSA-N 310.419 3.942 0 40 DHAB C[C@@H](c1ccccc1)N(C)CC(=O)Nc1cc(F)ccc1F 14247840 ZQOUZWKWEFGRBC-LBPRGKRZSA-N 304.340 3.596 0 40 DHAB Cc1ccc(-n2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2)cc1 19814204 NWWVERZSNRATEQ-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB CCOc1ccc(CCC(=O)NC2CCCCC2)cc1OCC 20111093 GRSHFDYVLYJAPG-UHFFFAOYSA-N 319.445 3.866 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 20485613 MIMTZFYZZJANBE-ZIAGYGMSSA-N 301.361 3.779 0 40 DHAB O=C(CCc1ccc2c(c1)OCCO2)NC1CCCCCCC1 24615612 GXLGVRWIIYOWDJ-UHFFFAOYSA-N 317.429 3.620 0 40 DHAB CC[C@@H](C)NC(=O)c1sc(COc2ccc(C)cc2)nc1C 27338667 YATNSOVOYGDUOF-GFCCVEGCSA-N 318.442 3.867 0 40 DHAB C[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)C 32883827 UVXWZAALQARZGF-VIFPVBQESA-N 310.806 3.564 0 40 DHAB CC[C@@H](CO)Nc1ncnc2cc(-c3ccc(F)cc3)sc12 33012210 VBAGMEPNGHEIAS-LBPRGKRZSA-N 317.389 3.680 0 40 DHAB CN(C)c1ccc(C(=O)c2ccc(Br)cc2)cc1 34133379 UKXOPTCQGYONPA-UHFFFAOYSA-N 304.187 3.746 0 40 DHAB c1coc(CNc2c3c(nc4nc5ccccc5n24)CCC3)c1 35310938 QCAJJKKRORLXRV-UHFFFAOYSA-N 304.353 3.576 0 40 DHAB CSCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 37123923 MIICCNVWEDYTFQ-LLVKDONJSA-N 301.864 3.746 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)c1ccc(OCCC(C)C)cc1 45000418 VFVXDQVYNWVXMB-UHFFFAOYSA-N 315.417 3.714 0 40 DHAB Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 45904318 XHCPHJWOMUSYMU-CQSZACIVSA-N 311.381 3.566 0 40 DHAB CN(C)c1ccc(NC(=O)c2occc2-c2ccccc2)cn1 48301844 OWBZYCCWVUVZLK-UHFFFAOYSA-N 307.353 3.660 0 40 DHAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2-c2ccccc2)cn1 48311976 UWKGJKCSVBCUAZ-ROUUACIJSA-N 317.392 3.829 0 40 DHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nccs1 49545610 RHLFACPIOWAHOP-UHFFFAOYSA-N 318.427 3.595 0 40 DHAB Cn1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cn1 55800925 BGVVVTIKDOJLBT-UHFFFAOYSA-N 324.211 3.532 0 40 DHAB Cc1cc2n(n1)C[C@@H](CN[C@@H](C)c1oc3ccccc3c1C)CN2 58308396 CEQFVOVFSWDWSY-GJZGRUSLSA-N 324.428 3.639 0 40 DHAB COc1ccc2c(c1)CCN2C(=O)c1ccc2[nH]c(C)c(C)c2c1 58904345 ORXASAVRMNVSOQ-UHFFFAOYSA-N 320.392 3.996 0 40 DHAB Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC[C@H]3C)c2)n1 63451521 JRIARLIWYWRDRU-OAHLLOKOSA-N 311.429 3.563 0 40 DHAB Cc1noc(C)c1CNC(=O)C1(c2cccc(F)c2)CCCC1 65479776 AVRABVJRKUMCET-UHFFFAOYSA-N 316.376 3.559 0 40 DHAB CCCCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1 66141398 PEZUGBNQEWIUJJ-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB O=C(c1ccc(F)cc1)N(Cc1cccnc1)Cc1ccco1 69455388 CHKZEAPAOTYKAJ-UHFFFAOYSA-N 310.328 3.656 0 40 DHAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc(O)cc2)S1 71285948 QJZZWPGWCIOYGC-ZDUSSCGKSA-N 303.387 3.761 0 40 DHAB OCC1(c2cc(-c3ccc(Br)cc3)on2)CCCC1 72220634 VKDIFWZMQPYSQJ-UHFFFAOYSA-N 322.202 3.908 0 40 DHAB O=S(=O)(CC1CCCCC1)N[C@@H]1CCCc2ccccc21 72230351 OXLFUQQDFFOHSI-QGZVFWFLSA-N 307.459 3.564 0 40 DHAB CSC[C@H](C)N(C)C(=O)Nc1cccc(-c2ncc(C)o2)c1 77468733 AGOIUCMTZWCAFR-NSHDSACASA-N 319.430 3.865 0 40 DHAB CCOC(=O)C[C@@H](C)S[C@H](C)c1nnc(-c2ccccc2)o1 79359114 KHJRHCJIYZHVMD-VXGBXAGGSA-N 320.414 3.873 0 40 DHAB C[C@@H](C1CC1)N(C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 79949735 AMRCHEXOZFYEQS-QWHCGFSZSA-N 308.853 3.590 0 40 DHAB CCC(CC)c1ncc(I)c(Cl)n1 85463465 PIORREUOOMHITJ-UHFFFAOYSA-N 310.566 3.638 0 40 DHAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1cccc(O)c1 95116038 VKHJBYBKVRJQIM-OAHLLOKOSA-N 322.320 3.570 0 40 DHAB Cc1ccc(N2C(=O)C[C@H](Nc3cc(C)ccc3C)C2=O)c(C)c1 101275331 URUWOJRJCNRCDZ-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB Cc1ccc(-n2nc(C)c(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)c2C)cc1 102398314 OFJZKXDIGGUYPM-XYJFISCASA-N 321.424 3.948 0 40 DHAB C[C@H](NC(=S)NCCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102837460 VZCDYBHTQQUKMM-QSPRXWTASA-N 302.487 3.518 0 40 DHAB Cc1ccc(C[C@@H](OCc2ccccc2)C(=O)O)cc1Cl 225081725 NGZYADNQLSHVMY-MRXNPFEDSA-N 304.773 3.861 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1C 225598902 UXQCBHQJMMDBCG-CQSZACIVSA-N 321.417 3.790 0 40 DHAB COC(C)(C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225600147 PMMKLOFWKMANLR-UHFFFAOYSA-N 313.397 3.938 0 40 DHAB CC(C)C[C@@H](NC(=O)CC1C[C@@H]2CC[C@H](C1)N2)c1cccs1 236762381 FLRRIKFNTHKBDQ-WTXIUTQJSA-N 320.502 3.872 0 40 DHAB Fc1cccc(-c2cnc3n2CCN(Cc2ccsc2)C3)c1 306138058 RNXWSHSJEVEMQI-UHFFFAOYSA-N 313.401 3.767 0 40 DHAB Cc1ccc(-c2nnc(SC(=O)Cc3ccccc3)o2)cc1 408599146 FIAUEAFDTJDDLE-UHFFFAOYSA-N 310.378 3.906 0 40 DHAB Cc1nn2c(N)c(-c3ccccc3)cnc2c1-c1ccccc1 208688 HZIZOZUCCZIIGK-UHFFFAOYSA-N 300.365 3.954 0 40 DHAB Cc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 281036 HUAFUMUXLVKYEL-UHFFFAOYSA-N 314.410 3.859 0 40 DHAB COc1ccccc1C(=O)Nc1ccc(CN2CCCC2)cc1 514870 MYYWAKHHBXKMQY-UHFFFAOYSA-N 310.397 3.543 0 40 DHAB CCC(=O)c1cn(CC(=O)N2CCCC[C@@H]2C)c2ccccc12 560779 UPBANSBHNUDHBE-AWEZNQCLSA-N 312.413 3.635 0 40 DHAB Cc1cccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c1 1427558 XHRULPJVXFYKEF-CQSZACIVSA-N 306.317 3.542 0 40 DHAB O=C(c1cccc(CN2CCSCC2)c1)c1ccccc1F 2515298 XPFYBJWGZBIMNW-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB Cc1cccc(N[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)c1 4335190 IIPKNGVLVSEDHZ-OAHLLOKOSA-N 312.394 3.629 0 40 DHAB CC(C)C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479426 LWULSLDZQHEPGR-UHFFFAOYSA-N 300.145 3.638 0 40 DHAB CC(C)CCN[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 4673488 HXADPMAIANZNBX-IBGZPJMESA-N 308.425 3.977 0 40 DHAB COc1cc(C)ccc1OCc1cn2cc(Cl)ccc2n1 5186960 JHYVIGWBZJSKBL-UHFFFAOYSA-N 302.761 3.884 0 40 DHAB CCOC(=O)[C@@H](C(=O)c1ccccc1)C1SCCCCS1 5473428 UAIAMYMZRKKLRB-CYBMUJFWSA-N 324.467 3.635 0 40 DHAB CC(=O)[C@@H]1C[C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C 5481202 CVFOBQGADLDVRC-IDHTWPPDSA-N 317.473 3.713 0 40 DHAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](/C=C/c2ccccc2)N1 5515244 NYBRWZYJSBALAQ-KNJKRIMISA-N 318.376 3.521 0 40 DHAB Sc1nnc(-c2cc(-c3ccccn3)nc3ccccc23)o1 5656875 IHOLIHFSWZBRLS-UHFFFAOYSA-N 306.350 3.636 0 40 DHAB Cc1nnc(CSc2nn(-c3ccccc3)c(=S)s2)o1 6543182 NGRQYYAIQSWUCZ-UHFFFAOYSA-N 322.440 3.647 0 40 DHAB CC[C@@H](C)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 7057607 IDRPILLJTYVIQF-SNVBAGLBSA-N 308.403 3.606 0 40 DHAB C[C@@H](NC(=O)CN1CCCCCC1)c1ccc2c(c1)CCCC2 7339559 JZUWDUVBWPEOBN-MRXNPFEDSA-N 314.473 3.619 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2F)c1 7405593 HRBUBPMTJWHEFW-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB O=C1N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)Nc2ccccc21 8135388 CWTCNQGDRRRIPY-INIZCTEOSA-N 324.771 3.584 0 40 DHAB O=C1O[C@@](c2ccc(O)cc2)(c2ccccc2O)c2ccccc21 8612589 OVELHKBTRXSQMT-HXUWFJFHSA-N 318.328 3.560 0 40 DHAB O=C(CSc1nnc(NC2CCCCC2)s1)c1ccc[nH]1 8753671 CIVSIECAZVKWJU-UHFFFAOYSA-N 322.459 3.586 0 40 DHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c(Cl)c1 9499485 UAZMQAQYMTWDRE-UHFFFAOYSA-N 314.772 3.785 0 40 DHAB CC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12 9501504 ICUQIOZZXOSCMA-UHFFFAOYSA-N 306.365 3.942 0 40 DHAB O=C(NCc1ccccn1)c1ccc(COc2ccccc2)cc1 10052230 XJBAJRQGANLSMV-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB Cc1ccc(OCCCn2c(C=O)nc3ccccc32)c(C)c1 11735042 LRUDIUBLVOUNQD-UHFFFAOYSA-N 308.381 3.935 0 40 DHAB CCCc1cc(C(=O)NC2(c3cccc(F)c3)CCCC2)[nH]n1 12147268 MMRGVWUZGLDEKX-UHFFFAOYSA-N 315.392 3.701 0 40 DHAB COc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1Cl 13548357 GBQPITOFVKSKQT-UHFFFAOYSA-N 308.790 3.821 0 40 DHAB O=C(NC1CCCCC1)c1cn[nH]c1-c1ccc(Cl)cc1 14051735 QNAKNWIERYPRJI-UHFFFAOYSA-N 303.793 3.793 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCCCCC1 14140755 MKKQVRDWURNORN-UHFFFAOYSA-N 301.415 3.530 0 40 DHAB C[C@@H]1C[C@@H](C)CN(Cc2nnc(-c3ccccc3Cl)o2)C1 15257907 DTKCMYBIRBVHBW-VXGBXAGGSA-N 305.809 3.868 0 40 DHAB COc1cccc(CNC(=O)N[C@H](C)c2ccccc2Cl)c1 17069945 ZAJJORPYCCTBOH-GFCCVEGCSA-N 318.804 3.909 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccccc2)[nH]n1 17971577 IUMRPJAEYHCOCN-ZDUSSCGKSA-N 321.380 3.576 0 40 DHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccncc1 20459702 AKRNODWCOPFMFY-IBGZPJMESA-N 320.392 3.709 0 40 DHAB CC(C)(C)c1ccc([C@@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)cc1 21367480 DWNZBLIMPYBSAJ-HNNXBMFYSA-N 321.380 3.800 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)on2)cc1 21791132 PHFOPUJYCIWBAL-INIZCTEOSA-N 314.385 3.784 0 40 DHAB Cc1ccc(SCCNC(=O)c2cc(C)ccc2O)cc1 21936836 MVFSKQPLVQJKCT-UHFFFAOYSA-N 301.411 3.531 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)c(C)c1 22508709 FSQZVQVMGYSPOW-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB COc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 23232853 DFWASWZAVMQRNV-SNVBAGLBSA-N 302.296 3.501 0 40 DHAB COc1ccc(C)cc1CCNC(=O)C[C@@H](C)c1ccccc1 24112507 SHHVZVZRBOUEMP-MRXNPFEDSA-N 311.425 3.856 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1Cl 32754895 MTWVJRBKKBWHQO-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB CCCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 35042223 GQNGFGHMWLNDGF-SDNWHVSQSA-N 305.399 3.922 0 40 DHAB NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 43531938 KPUPXKSSLMECFM-UHFFFAOYSA-N 306.321 3.765 0 40 DHAB COC(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1C 44625709 WWHFIEPCHIVMNG-UHFFFAOYSA-N 317.772 3.616 0 40 DHAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)n[nH]2)cc1 44839146 BBXCMHMZISTYLL-QGZVFWFLSA-N 317.392 3.802 0 40 DHAB CCN(C(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccccc1 48286886 SMSPZZLTZYZTNL-FQEVSTJZSA-N 322.452 3.747 0 40 DHAB O=C(O)/C(=C/c1cccs1)Sc1nc2ccccc2[nH]1 50547802 IKHOAIJPVBGRRY-WQLSENKSSA-N 302.380 3.842 0 40 DHAB O=C(NC1CC1)[C@@H](Nc1ccc(Cl)c(F)c1)c1ccccc1 56173988 HHSZTHWINDLZDL-INIZCTEOSA-N 318.779 3.911 0 40 DHAB Cc1ccc(C)c(C[S@](=O)CCC(=O)Nc2ccccc2)c1 58098124 BZLHHTKDMVNUAS-QFIPXVFZSA-N 315.438 3.581 0 40 DHAB Cc1noc([C@@H](C)NC(=O)c2sc3cccc(F)c3c2C)n1 65553541 UESSAZRFNQNKOU-MRVPVSSYSA-N 319.361 3.531 0 40 DHAB C[C@@H]1CCC[C@](O)(CNC(=O)Nc2cccc3ccccc23)C1 65566558 AQRGVGSAODSYOV-AUUYWEPGSA-N 312.413 3.903 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 67511888 YYYILMOGIMNMDU-IAGOWNOFSA-N 318.376 3.936 0 40 DHAB CC[C@@H]1CCCCN1C(=O)c1ccc(-c2cccs2)[nH]c1=O 69148169 OHDDESLYAFHHCU-GFCCVEGCSA-N 316.426 3.508 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(F)ccc2F)s1 71883143 RWQQAXXEUUGSBQ-SECBINFHSA-N 310.369 3.871 0 40 DHAB Cc1cc(CS[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)on1 78555628 ORMXDCVXZZSFIS-NWDGAFQWSA-N 322.405 3.621 0 40 DHAB C[C@H](OC(=O)c1cnccn1)c1nc2cc(Cl)ccc2s1 78814821 DLOHUYFVDWYFTA-QMMMGPOBSA-N 319.773 3.658 0 40 DHAB Cn1ccnc1-c1cccc(NC(=O)c2ccc(F)cc2F)c1 79586814 TVEUJWXWXBQTKO-UHFFFAOYSA-N 313.307 3.618 0 40 DHAB CC(C)CO[C@@H]1C[C@@H](OC(=O)c2ccc(F)cc2F)C1(C)C 84544344 WFUYSQCFHKFGLS-HUUCEWRRSA-N 312.356 3.961 0 40 DHAB CCSCc1cccc(NC(=O)N[C@H](C)C2CCOCC2)c1 89275288 KNEJEMMXPDNDFX-CYBMUJFWSA-N 322.474 3.876 0 40 DHAB C[C@@H](CCn1cncn1)N[C@H](C)c1cc2cc(Cl)ccc2o1 90034596 HLDUSLIEUJBYKV-NWDGAFQWSA-N 318.808 3.807 0 40 DHAB C[C@@H](NCc1cccnc1)c1cc(Br)ccc1F 95419066 WJAWHSINRAYZEX-SNVBAGLBSA-N 309.182 3.834 0 40 DHAB O=Cc1c(-c2ccccn2)[nH]c2ccc(Br)cc12 96295475 QCBFPMCIMUAPDU-UHFFFAOYSA-N 301.143 3.805 0 40 DHAB C[C@H](Cc1cccnc1)OC(=O)Cc1cccc2ccccc12 97034381 FORDOPBOGMAKQZ-OAHLLOKOSA-N 305.377 3.952 0 40 DHAB O=C(Nc1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1)c1ccoc1 100794114 PIPBJBLODGKCFL-DCGLDWPTSA-N 322.364 3.683 0 40 DHAB O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1cc2c(F)cccc2[nH]1 152483893 MRDBPJRTBBNVOK-ZXYWRSMDSA-N 320.367 3.623 0 40 DHAB Cc1cc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c(C)o1 158554419 YDAUDPXBZITOSZ-UHFFFAOYSA-N 315.760 3.988 0 40 DHAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NC(C)(C)C)cn2)C1 223882758 PEOWAABWDPIJIS-STQMWFEESA-N 320.506 3.649 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 224065396 ISKUIHDCNJSWDB-LBPRGKRZSA-N 310.328 3.972 0 40 DHAB O=C(c1ccc(-c2cccs2)cc1)N1CCc2oncc2C1 225675756 JNRNMOSUCUVJFO-UHFFFAOYSA-N 310.378 3.602 0 40 DHAB C[C@H](O)c1cccc(NC(=O)c2cccc(Br)c2)c1 226274164 IYSRZOQULKEVEO-JTQLQIEISA-N 320.186 3.755 0 40 DHAB CCOc1ccc(-n2c(C)nnc2Sc2ccccn2)cc1 409099181 JYTNMRSDWUGXTJ-UHFFFAOYSA-N 312.398 3.521 0 40 DHAB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2ccccc21 409111378 CJFKHNVFRSVELA-PTNGSMBKSA-N 309.365 3.611 0 40 DHAB O=C(O)c1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1F 570295070 YABCYWUBTJWNHP-GFCCVEGCSA-N 316.328 3.606 0 40 DHAB O=C(/C=C/c1ccco1)NC[C@@H](c1ccco1)c1cccs1 585146831 WSYVRAVZWYOVHG-NPQIQWPPSA-N 313.378 3.896 0 40 DHAB CC(C)c1cc(N2C[C@@H](C)O[C@H](C)C2)nc2c(O)cccc12 685938589 WUOASZHNGDJSBY-CHWSQXEVSA-N 300.402 3.677 0 40 DHAB CC(C)(C)OC(=O)NCCCc1cccc2c(N)cccc12 1857523673 VNRDWFHYRKEWSK-UHFFFAOYSA-N 300.402 3.879 0 40 DHAB CCN(C(=O)C1CC1)c1nc(-c2ccc(OC)cc2)cs1 418994 BHMJQKXLNVFZAI-UHFFFAOYSA-N 302.399 3.582 0 40 DHAB COc1cccc(C(=O)Nc2ccc(-c3noc(C)n3)cc2C)c1 1428890 FTTKDPXMNHVWEC-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB Cc1csc(SCC(=O)NCc2cccc(Cl)c2)n1 3379009 OGAQJFBTNSIJBW-UHFFFAOYSA-N 312.847 3.513 0 40 DHAB O=C(Cc1ccccc1F)NCc1cccc(C(F)(F)F)c1 3449607 WNHDPIUVVUIANP-UHFFFAOYSA-N 311.278 3.703 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1OC 3556186 LUGXUOXPRRBCSE-YRNVUSSQSA-N 323.392 3.844 0 40 DHAB CCOc1ccccc1C(=S)NCc1ccc(OC)cc1 4745140 BVOCZXHDKCSYEJ-UHFFFAOYSA-N 301.411 3.559 0 40 DHAB COc1ccc(C)cc1CSc1nncn1-c1ccccc1 5259715 QXBSWVZUMGFMPE-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB COC(=O)[C@H]1CC[C@H]2[C@H]3CCCC[C@H]3CC[C@@H]2[C@@]1(C)C(=O)OC 5732155 UCYFCORFZAJVNQ-LRUNOYCJSA-N 322.445 3.581 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccnc1Cl 6269508 NOBYCYNMMKBJBV-UHFFFAOYSA-N 311.168 3.714 0 40 DHAB CC(C)/N=C1\S/C(=C/c2ccc(C#N)cc2)C(=O)N1C(C)C 6324900 MEBLHHOIXHUMKU-NGOKJDCPSA-N 313.426 3.647 0 40 DHAB CC(C)COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1 6579659 MPEUHSBLIQLVTF-UHFFFAOYSA-N 323.396 3.528 0 40 DHAB COc1ccc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 6586967 KHOFEGFUVSUGRY-NSHDSACASA-N 312.394 3.785 0 40 DHAB CC(C)n1ccnc1SCC(=O)N[C@@H](C)c1ccc(F)cc1 8746284 LOOBFWCOXOJVTQ-LBPRGKRZSA-N 321.421 3.573 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccccc1OC[C@@H]1CCCO1 9114614 FKPWLOFFYKTHAH-HNNXBMFYSA-N 315.344 3.636 0 40 DHAB O=C(Nc1ccncc1)c1ccccc1C(=O)c1ccc(F)cc1 12528020 GFHVJDDYUVGTSG-UHFFFAOYSA-N 320.323 3.704 0 40 DHAB Nc1nc(CN2CCC[C@@H]2c2cccs2)nc2ccccc12 12534747 KSVJUSZLOQGGGK-CQSZACIVSA-N 310.426 3.611 0 40 DHAB C[C@@H]1CCCCN1C(=O)CSc1nc2cc(Cl)ccc2[nH]1 12568542 GBZMGIRVSHNFJO-SNVBAGLBSA-N 323.849 3.709 0 40 DHAB Cc1[nH]c2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2c1C 12735699 XFSXZFRHQAAFQA-UHFFFAOYSA-N 315.461 3.633 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccccc1F 12780192 NJMUBMDKOFYIPT-JTQLQIEISA-N 307.752 3.979 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)n1 12903376 KIDOAHZEKBHNHJ-UHFFFAOYSA-N 310.275 3.583 0 40 DHAB O=C(O)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 13990235 DUVCLLZGANWXMH-UHFFFAOYSA-N 306.277 3.848 0 40 DHAB COc1ccc(Cl)cc1CSc1nnc2ccccn12 14138553 LCQJKBDFCSQVPE-UHFFFAOYSA-N 305.790 3.684 0 40 DHAB Cc1nc(-c2cccs2)c(CC(=O)NCCC(C)C)s1 15842199 PMGCHQAHHHHSHD-UHFFFAOYSA-N 308.472 3.885 0 40 DHAB C[C@H]1C[C@@H](C)CN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1 19462610 DYFNFGPTQJSGTM-VBQJREDUSA-N 313.445 3.892 0 40 DHAB O=C(Nc1ccc(Br)cc1)c1ccnc(Cl)c1 19813480 CDBMRRJTOZQSLX-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB Cc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(C)n1 19937132 DPBIXJGNDQKRJO-UHFFFAOYSA-N 317.392 3.613 0 40 DHAB Cc1ccc(NC(=O)c2ccc(Br)cc2)c(N)c1 20343302 FZISCHJPERIVDW-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB O=C(C1CCCC1)N1CCN(Cc2cccc3ccccc23)CC1 20533970 PYSAGOBTYFVWGE-UHFFFAOYSA-N 322.452 3.674 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)n1 22088251 NMHJEMULVWDAJX-NEPJUHHUSA-N 306.456 3.810 0 40 DHAB Cc1ccnc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 22466755 LEZDLVXAAPAXCT-UHFFFAOYSA-N 324.302 3.721 0 40 DHAB Cc1nc(C2CC2)nc2sc(C(=O)NCC(C)C)c(C)c12 22990886 RSNLXAMYPQTKBX-UHFFFAOYSA-N 303.431 3.571 0 40 DHAB C[C@H](NC(=O)CCc1ccccc1O)c1ccccc1Cl 23482357 FVIDCMIASUUDPK-LBPRGKRZSA-N 303.789 3.856 0 40 DHAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3)ccc2O1 24613937 TZLFZOVDAHRLJS-UHFFFAOYSA-N 317.410 3.591 0 40 DHAB CSc1ccccc1C(=O)NC[C@@H](c1ccsc1)N(C)C 25329186 AZYCZCFSABPKHQ-AWEZNQCLSA-N 320.483 3.503 0 40 DHAB Cc1ccc(C)c(NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 25596011 YALZWUPJFDDEAI-CQSZACIVSA-N 300.377 3.732 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](C)c1ccccc1 26754560 DZTOLFTWRJJYKS-KBPBESRZSA-N 301.361 3.513 0 40 DHAB CN(C(=O)[C@H]1Cc2ccccc2O1)[C@@H]1CCCc2ccccc21 29473980 CZRCHQBIXSUHEJ-IEBWSBKVSA-N 307.393 3.526 0 40 DHAB Fc1ccc(Cl)cc1-c1nn2c(-c3ccco3)nnc2s1 32073784 YIOVHRWBEALVQI-UHFFFAOYSA-N 320.736 3.905 0 40 DHAB Cc1ccc2[nH]c(C(=O)N(Cc3cccnc3)C3CC3)cc2c1 32786873 VYVNNCVIISOVOD-UHFFFAOYSA-N 305.381 3.676 0 40 DHAB Cc1ccc(F)c(NC(=O)c2ccc(-c3nc(C)no3)cc2)c1 39551505 LCSPWNGLVJRCHU-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB C=Cc1ccc(Cn2nc(-c3ccc(OC)cc3)ccc2=O)cc1 40285469 BWZKSQXCBGYPSX-UHFFFAOYSA-N 318.376 3.610 0 40 DHAB CC(C)Oc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1 41155802 MGMWXBWYFTYQPB-AWEZNQCLSA-N 311.381 3.902 0 40 DHAB O=C(NC(C1CC1)C1CC1)N1CCCCC[C@H]1c1ccncc1 45438268 ORQYZEVPNMCXAT-KRWDZBQOSA-N 313.445 3.897 0 40 DHAB O=C(Nc1cccc(CNCc2ccco2)c1)c1cccc(F)c1 48781511 RQKXLXUDSWNAJE-UHFFFAOYSA-N 324.355 3.961 0 40 DHAB Cc1ccccc1CNCc1ccc(NC(=O)NC(C)C)cc1 48784780 UJFBZXIRRNQWIA-UHFFFAOYSA-N 311.429 3.815 0 40 DHAB C[C@@H](c1ccc2ccccc2c1)N1CCC(C(=O)NC2CC2)CC1 56511457 VFPLOZCHNHLBEU-HNNXBMFYSA-N 322.452 3.891 0 40 DHAB Cc1cccc(C)c1NC(=O)CNCc1ccccc1Cl 58161146 AORDBTZMTRAHAP-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cn(C)c2ccccc12 58381779 YPDXIODYFFMNDK-KDOFPFPSSA-N 314.429 3.503 0 40 DHAB CC(C)(C(=O)NCc1ccccc1N1CCCC1)c1ccccc1 58429463 AJGHXYWKSYNXLP-UHFFFAOYSA-N 322.452 3.881 0 40 DHAB c1cncc([C@@H]2N[C@@H]3c4c(ccc5ccccc45)OC[C@@H]3CO2)c1 63110707 CVTVSDQCGJDMLX-UIAACRFSSA-N 318.376 3.603 0 40 DHAB CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cn2ccccc2n1 63494713 FSDCVPAXIGDQOI-SFHVURJKSA-N 320.396 3.557 0 40 DHAB O=C(Nc1nc(C2CC2)cs1)c1cnc(-c2ccccc2)nc1 65515631 PPSDIOYTHXKGGR-UHFFFAOYSA-N 322.393 3.730 0 40 DHAB Cn1cc([C@@H]2CCCN2Cc2csc(C3CCCC3)n2)cn1 71797181 JQBWIONSCXLHJH-INIZCTEOSA-N 316.474 3.871 0 40 DHAB O=C(CCc1cscn1)NC1(c2ccc(Cl)cc2)CC1 71899820 GVJIYWBOCKSCLF-UHFFFAOYSA-N 306.818 3.535 0 40 DHAB Cc1ccccc1COC[C@@H]1CCCN1C(=O)OC(C)(C)C 72203951 VVHPEEPBHAOAHP-INIZCTEOSA-N 305.418 3.911 0 40 DHAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3)[nH]n2)cc1C 72238572 FRBVAOIQVCEAKM-UHFFFAOYSA-N 307.353 3.651 0 40 DHAB Cc1cnn([C@@H](C)[C@@H](C)NCc2nc3ccccc3s2)c1 72269833 CKVKDJOPQLRVIX-OLZOCXBDSA-N 300.431 3.541 0 40 DHAB CCOC(=O)Nc1cccc(NC(=O)N[C@H]2CCC[C@H]2C)c1C 72274149 MOYUQQWPLMILIM-YPMHNXCESA-N 319.405 3.874 0 40 DHAB O=C(NC[C@H](O)c1cccs1)c1ccc(Cl)cc1Cl 74558718 IUXGBMIBJPXQAQ-NSHDSACASA-N 316.209 3.518 0 40 DHAB CC(=O)Nc1cccc(CNC(=O)CC/C=C/c2ccccc2)c1 75142993 INRUHWMIWHXNSJ-BJMVGYQFSA-N 322.408 3.755 0 40 DHAB CCOc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 78965767 WQRRYURNCWSHJE-UHFFFAOYSA-N 320.433 3.897 0 40 DHAB CC[C@@H](NCc1ccc(OC)c(NC(C)=O)c1)c1ccccc1 79030383 YZWMAGSRULDGGO-QGZVFWFLSA-N 312.413 3.895 0 40 DHAB O=C(O)/C=C/c1ccccc1-c1cccc(Br)n1 83324637 VXYITWYYAALIGK-CMDGGOBGSA-N 304.143 3.609 0 40 DHAB O=C(c1ccsc1)N1CCC(CSc2ccccn2)CC1 85557601 XGDWGWXWIOPPQB-UHFFFAOYSA-N 318.467 3.788 0 40 DHAB CC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 95415850 LTYPFCBATKNTJY-UHFFFAOYSA-N 302.201 3.521 0 40 DHAB CC(C)(C(=O)NC[C@@H](O)c1ccsc1)c1cccc(Cl)c1 95417453 TZXGFCGJVKPIEH-CQSZACIVSA-N 323.845 3.529 0 40 DHAB Cc1ccsc1[C@@H](C)NCc1ccc(Cn2cncn2)cc1 95419762 FJHXGVKFBKPZKY-CQSZACIVSA-N 312.442 3.547 0 40 DHAB CC(C)(C)Oc1ccc(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 95633966 XRZXKSQWHZDNIE-GJZGRUSLSA-N 304.386 3.938 0 40 DHAB Cc1ccc(C)c([C@@H](C)NCC(=O)NC[C@@H](C)c2ccccc2)c1 95939077 URDKRSKXTKIGJA-QZTJIDSGSA-N 324.468 3.874 0 40 DHAB O[C@@]12CCCC[C@@H]1CN(Cc1cccc(C(F)(F)F)c1)CC2 95967050 QMLUMZVJISHTKV-HZPDHXFCSA-N 313.363 3.832 0 40 DHAB CO[C@H](CNC(=O)CSC1CCCC1)c1ccc(C)s1 96104680 ZECFBKYOBDGZSH-CYBMUJFWSA-N 313.488 3.536 0 40 DHAB Cc1cc([C@H](C)NC(=O)Nc2cccc([S@@](C)=O)c2)c(C)o1 96410689 FJYZABURJSZSTK-SAHAZLINSA-N 320.414 3.517 0 40 DHAB Cc1csc(C2(NC(=O)CC[C@H]3CC[C@H](C)O3)CCCC2)n1 96441085 MDFNKEQASVEHRL-UONOGXRCSA-N 322.474 3.685 0 40 DHAB CCn1nccc1CNc1nc2ccccc2n1-c1ccccc1 97105431 MYZBFGYWFXONOX-UHFFFAOYSA-N 317.396 3.854 0 40 DHAB c1cc(CN[C@H]2CCCc3occc32)cc(Cn2ccnc2)c1 192653469 WEHHZJRAVVVQHM-SFHVURJKSA-N 307.397 3.692 0 40 DHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccs2)S1 222568201 KGIPBQCACLWJFH-HONMWMINSA-N 301.440 3.732 0 40 DHAB O=C(Nc1ccc(F)cc1)c1snnc1-c1ccc(F)cc1 225778191 HIDCZMLJAAHHSX-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB CCCO[C@@]1(C(=O)Nc2cnc(OC)c(C)c2)CCC[C@H](C)C1 225911382 FYGBOQABAFRGAP-UGSOOPFHSA-N 320.433 3.713 0 40 DHAB CC(C)N(C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(C)C 245229076 MPYNMCRQCDYTCP-YWTNHNAXSA-N 311.510 3.698 0 40 DHAB O=C(Cc1ccc(F)cc1)NCCCc1cc2ccccc2o1 390830103 ISOFIXYIQYLVJR-UHFFFAOYSA-N 311.356 3.863 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1cc(Cl)cc(Cl)c1 409207220 UAGUOORHSQUEKU-UHFFFAOYSA-N 321.207 3.948 0 40 DHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 504510447 XFRHZHQTVBHKOM-KZNAEPCWSA-N 309.365 3.985 0 40 DHAB COc1c(CNCc2ccc3c(n2)CCC3)oc2ccccc12 573451591 PYYJNBXRHIQTGQ-UHFFFAOYSA-N 308.381 3.615 0 40 DHAB Cc1noc2cc(NC(=O)N(Cc3ccncc3)C3CC3)ccc12 585119306 BEOCLFFJYDMMGW-UHFFFAOYSA-N 322.368 3.728 0 40 DHAB CC(C)C(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1889669368 ROIYJIDRVSMVMX-UHFFFAOYSA-N 323.440 3.869 0 40 DHAB CCOC(=O)c1sc2nccc3c2c1ncn3-c1ccccc1 198584 DUYMONVNAZERRX-UHFFFAOYSA-N 323.377 3.812 0 40 DHAB Cc1cc(N)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 208674 BPILEAWNRDHBFJ-UHFFFAOYSA-N 300.365 3.954 0 40 DHAB COc1cccc2cc(CC(=O)c3ccc(C)cc3)c(=O)oc12 216811 TZIPNIDPGNDCDB-UHFFFAOYSA-N 308.333 3.535 0 40 DHAB CC/C(=C(/CC)c1ccc(C(N)=O)cc1)c1ccc(C(N)=O)cc1 1699482 QWAJJHAKEUTHMI-ISLYRVAYSA-N 322.408 3.615 0 40 DHAB COc1ccc([C@@H]2CCCC[C@H]2SCC(=O)O)cc1OC 1715783 OIZZURHKYIZIGQ-SWLSCSKDSA-N 310.415 3.548 0 40 DHAB COc1ccccc1OCC(=O)Nc1c(C)cc(C)cc1Cl 2626777 GOXYSVCJCBRUPG-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(Cl)c2)c1 3555989 QDPYQFIKVGPYMU-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB COC(=O)c1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1 3559117 VNJUJVKZFBNVHQ-UHFFFAOYSA-N 323.348 3.709 0 40 DHAB O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCCCC1 4746165 YTTDGPNIVAPBFP-INIZCTEOSA-N 320.864 3.565 0 40 DHAB CCOC(=O)c1cc(CP(=O)(OCC)OCC)c(C)o1 5216199 IXWZBJPZMDSVAR-UHFFFAOYSA-N 304.279 3.531 0 40 DHAB CC(C)CCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 5235877 RALSGOMEAPRCOP-UHFFFAOYSA-N 315.461 3.787 0 40 DHAB Cc1c(CCNC(=O)c2cccc(F)c2)c2ccccc2n1C 5274334 ZTSVJPMFHOTDMZ-UHFFFAOYSA-N 310.372 3.598 0 40 DHAB COCc1c(C(=O)Nc2ccc(OC)cc2)oc2ccccc12 5559939 PKIVOWUYNIJUIN-UHFFFAOYSA-N 311.337 3.840 0 40 DHAB O=[S@](c1snnc1-c1ccc(F)cc1)C1CCCCC1 5675719 HGMBOPNVFQMMEJ-HXUWFJFHSA-N 310.419 3.785 0 40 DHAB CC[C@@H]1CCCCN1C(=O)CCCC(=O)N1CCCC[C@H]1CC 6118752 VASKFUGFJHDMLA-IAGOWNOFSA-N 322.493 3.739 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 6302959 IBJZOQOZBQIPME-ZIUDEIKKSA-N 313.441 3.847 0 40 DHAB CCC(CC)NC(=S)Nc1ccc(Br)cc1 6349232 ZSWLILLLNPQKAE-UHFFFAOYSA-N 301.253 3.924 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2C)c1C 7637593 GJCQFOZQVFVLTB-UHFFFAOYSA-N 314.385 3.677 0 40 DHAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CC1(Cl)Cl 7804545 ZRDYCVRKCKZQNN-KIPDHUPVSA-N 302.245 3.513 0 40 DHAB CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1 8162927 ATMOOTOCXIAUNO-MRXNPFEDSA-N 313.397 3.893 0 40 DHAB O=C(Cc1csc(-c2cccs2)n1)NCc1ccccc1 8187510 FBEUPBVHJXZCAS-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1nc(-c2cccs2)ns1 8673410 SSLQPTRCWHGFMX-CMDGGOBGSA-N 313.407 3.919 0 40 DHAB Cc1cccc(-c2nn3c(Cc4ccccc4F)nnc3s2)c1 8715031 LWJPJUJFZCFURP-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 11847325 BCFVDPZYAPIOHZ-NVXWUHKLSA-N 305.462 3.598 0 40 DHAB O=C(c1cccnc1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12180957 QTOQEDWNWYAQFX-ZNXRZULTSA-N 310.372 3.772 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C 12593202 ORSVJMMKOQICNO-GFCCVEGCSA-N 303.793 3.791 0 40 DHAB O=C(NCCc1ccccn1)c1ccccc1Nc1ccccc1 12646078 OJLABMAWOSYSSJ-UHFFFAOYSA-N 317.392 3.798 0 40 DHAB CCCCc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12976301 IORUXJQLENJIRD-UHFFFAOYSA-N 320.396 3.862 0 40 DHAB Cc1cccc(CS(=O)(=O)NCCC2CCCCCC2)c1 13646747 WEDIPEYZNOCQIL-UHFFFAOYSA-N 309.475 3.775 0 40 DHAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1 13816236 OHHMIZWQQDSCOV-GFCCVEGCSA-N 314.410 3.771 0 40 DHAB Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1ccccc1F 14117169 ICDBWEIQMDKWAE-LBPRGKRZSA-N 306.406 3.655 0 40 DHAB CON(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1 14201081 CWWBMSSNPZCNRW-UHFFFAOYSA-N 304.396 3.658 0 40 DHAB Cc1c(-c2cccs2)nn2c(O)cc(-c3ccccn3)nc12 19557570 LOLLSXMUQCHVSP-UHFFFAOYSA-N 308.366 3.534 0 40 DHAB Cc1ccc(N)cc1NC(=O)c1ccc(Br)cc1 20343309 SAFHMDRBYNTVTN-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Cc1ccc(-c2nnc(CN3CCc4ccccc4C3)o2)cc1 20573322 XXJWXJWJHMJGID-UHFFFAOYSA-N 305.381 3.603 0 40 DHAB O=C(Cc1ccccc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20726349 JQIQBMMYIBTUOY-UHFFFAOYSA-N 324.811 3.949 0 40 DHAB Cc1noc(C)c1C(=O)N(Cc1ccco1)Cc1cccs1 25255361 MLGNUDDUSCOCAS-UHFFFAOYSA-N 316.382 3.789 0 40 DHAB O=C(/C=C/c1ccco1)N1CCC[C@H](c2nc3ccccc3o2)C1 27386384 PJHKTLNGGAWDFY-HBWSCVEGSA-N 322.364 3.840 0 40 DHAB COC(=O)c1cc(NC(=O)c2ccc(C)cc2C)ccc1Cl 31055187 BJTQKZIBJYEGPP-UHFFFAOYSA-N 317.772 3.996 0 40 DHAB Cc1ccc(S(=O)(=O)N2CC[C@H](C)c3ccccc32)s1 32444289 RNEBDCJGYQCMNF-NSHDSACASA-N 307.440 3.759 0 40 DHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1 32768511 DTPMELNOXZAAEU-BDJLRTHQSA-N 301.773 3.521 0 40 DHAB CCOc1ccc(NC(=S)Nc2ccc3ncncc3c2)cc1 33782857 XAESOAJBVXKYLP-UHFFFAOYSA-N 324.409 3.837 0 40 DHAB O=C(NCc1cccs1)c1csc(-c2ccsc2)n1 39994173 OPHCJTHNDKWFMU-UHFFFAOYSA-N 306.437 3.863 0 40 DHAB COc1ccc(-c2nc(CNc3ccc(Cl)cc3)n[nH]2)cc1 40174521 GLYDCKPBDYVDKG-UHFFFAOYSA-N 314.776 3.746 0 40 DHAB CN(C)Cc1ccccc1CNC(=O)N(C)C1CCCCCC1 45104050 RRJODCMFKQTBGB-UHFFFAOYSA-N 317.477 3.612 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1 47344630 IDXWRSUHTYBBFN-KRWDZBQOSA-N 313.401 3.519 0 40 DHAB Cc1ccc(C)c(NC(=O)CN2CCC[C@H]2c2ccc(O)cc2)c1 48302670 SFXISYBWMRZSQB-IBGZPJMESA-N 324.424 3.785 0 40 DHAB CC(C)OCc1ccc(CNC(=O)c2c(F)cccc2F)cc1 49134400 PDHJWIOAOGKLDY-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB Fc1ccc2c(c1)[C@H](NC(=S)NC1CCCCC1)CCCO2 53534049 PRIJJTBYBBGPRR-OAHLLOKOSA-N 322.449 3.836 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 58264924 WEJGXHSGJWEHCX-MWLCHTKSSA-N 308.353 3.767 0 40 DHAB O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCCCC1 58330382 ZCVRZVLGWKLDCX-KGLIPLIRSA-N 308.219 3.565 0 40 DHAB CC(C)Sc1ncccc1C(=O)N[C@H](C)Cc1ccco1 61137327 ICZUWXDZEPZRPN-GFCCVEGCSA-N 304.415 3.536 0 40 DHAB Cc1cc(C)cc(CN[C@H](c2ccccc2)c2n[nH]c(C)n2)c1 69168829 LQOWEEVYJWZMIC-GOSISDBHSA-N 306.413 3.609 0 40 DHAB c1ccc(-c2nccc(N3CCC[C@H]3c3ccccn3)n2)cc1 69538975 NGIKJBOSPUOIFA-KRWDZBQOSA-N 302.381 3.880 0 40 DHAB Brc1ccc2[nH]cc(I)c2c1 71186787 OCYVXFHJBHFPSD-UHFFFAOYSA-N 321.943 3.535 0 40 DHAB C[C@@H]1SCCN(Cc2nnc(-c3ccccc3Cl)o2)[C@@H]1C 71911152 PIMVHAPQPRLHEI-MNOVXSKESA-N 323.849 3.716 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 72214631 MAVXDAVVUBXLQX-CQSZACIVSA-N 305.422 3.658 0 40 DHAB O=C(NCc1cccnc1)c1cc(-c2cccs2)cs1 72243214 AKQWPWNWJVEYQA-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB C[C@H](c1nc(-c2cccs2)no1)n1ccc(C(F)(F)F)n1 72920285 HNBMLAFMDRXZFD-SSDOTTSWSA-N 314.292 3.623 0 40 DHAB CN(C)c1cccc(C(=O)N2CCC(c3cccs3)CC2)c1 75157023 IEZLHKGLYFOYJX-UHFFFAOYSA-N 314.454 3.834 0 40 DHAB Cc1c(C(=O)Nc2ccc3cc[nH]c3c2)cnn1-c1ccccc1 79495432 LLHABCQJNQXFIB-UHFFFAOYSA-N 316.364 3.914 0 40 DHAB CCC(=O)N[C@@H]1CCCN([C@@H](C)CCSc2ccccc2)C1 84718679 DLGNDWTWKHHPGJ-JKSUJKDBSA-N 320.502 3.548 0 40 DHAB O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccnnc1 89807635 CADLLJXXXOTRMW-UHFFFAOYSA-N 321.384 3.653 0 40 DHAB CSCc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 95416112 DXVXMRUAOZPYQG-OAGGEKHMSA-N 320.458 3.629 0 40 DHAB CSc1ccc(CNc2cccc(C[S@](C)=O)c2)cc1 95429154 GUXNCIXSKYHWMZ-HXUWFJFHSA-N 305.468 3.899 0 40 DHAB O[C@H](c1cc(F)c(F)c(F)c1)c1ccccc1Br 95730119 RVGDDAWTURSKAI-CYBMUJFWSA-N 317.104 3.948 0 40 DHAB CCO[C@@H]1C[C@@H](Nc2ccc(NC(=O)CC)cc2)C12CCC2 95961155 MTMRVEGUKIDVNP-HZPDHXFCSA-N 302.418 3.795 0 40 DHAB O=C1CCC[C@H]1CCSc1cc2c(cc1Cl)OCCO2 95963561 RBPYWSWQGZDMPC-JTQLQIEISA-N 312.818 3.963 0 40 DHAB CNc1nc(C(=O)N2CCC(=Cc3ccccc3)CC2)cs1 95977199 PCWSNIGIBOZJEL-UHFFFAOYSA-N 313.426 3.504 0 40 DHAB Oc1cc(-c2ccc(Cl)cc2)nn1-c1nc2ccccc2[nH]1 100129753 HLFLVOZRBQERNR-UHFFFAOYSA-N 310.744 3.775 0 40 DHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 100184620 CZORMLIIFXZLBC-RRCSTGOVSA-N 313.784 3.598 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1ccc(Cl)cc1Cl 155547244 ZTWBTZPPQOCADE-UHFFFAOYSA-N 321.207 3.948 0 40 DHAB COc1ccccc1CCCNC(=O)c1cc2ccccc2o1 219945644 ZJMFNFKHLKEKQB-UHFFFAOYSA-N 309.365 3.804 0 40 DHAB CC(C)(Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 222810783 RMJPOZXNKDSCCM-UHFFFAOYSA-N 317.816 3.856 0 40 DHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOCC)cc1 225619680 LATLIMNNBKEUAW-GOSISDBHSA-N 323.433 3.636 0 40 DHAB Cc1cc(C)c(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1C 225651542 PJYLTAVLGZZSAV-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB Cc1c[nH]c([C@H]2CCN(Cc3[nH]c4ccc(F)cc4c3C)C2)n1 257272604 NDASRKKRNNVFLP-ZDUSSCGKSA-N 312.392 3.636 0 40 DHAB c1ccc2c(CN3CC[C@@H](Cc4nccs4)C3)ccnc2c1 257327303 XAWNOMCPCIWYIO-AWEZNQCLSA-N 309.438 3.756 0 40 DHAB Cc1nc(CN(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cs1 273521810 QCSRRYQAHSRCJZ-IRXDYDNUSA-N 320.433 3.943 0 40 DHAB CCOc1ccc(C(=S)NCc2ccccc2OC)cc1 408572085 GQKSFWBIPBPNDC-UHFFFAOYSA-N 301.411 3.559 0 40 DHAB O=C(NCc1cncc(C2CC2)c1)c1ccc(-n2cccc2)cc1 675008071 VALUHDUSLJTLIR-UHFFFAOYSA-N 317.392 3.680 0 40 DHAB O=C(NCc1cc(-c2ccsc2)cs1)C1CCOCC1 1775969648 DVWUINKJCYJMIH-UHFFFAOYSA-N 307.440 3.519 0 40 DHAB Cc1nccn1CC1CN(c2nc3ccc(Cl)cc3s2)C1 1889151297 MMGRVHLBJSQZBZ-UHFFFAOYSA-N 318.833 3.591 0 40 DHAB COc1cccc(CNc2ncc(-c3cccc(OC)c3)n2C)c1 819131 ZPBSIGPZYKANOA-UHFFFAOYSA-N 323.396 3.716 0 40 DHAB Cc1ccc2nc(NC(=O)c3cccnc3Cl)sc2c1 2736744 PZDYAAWBJZRQBZ-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB CSc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 4517688 WKPHNDZFEGDLKG-UHFFFAOYSA-N 311.366 3.711 0 40 DHAB CC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1C 4611879 QBHHJPLJSYLYGY-UHFFFAOYSA-N 318.442 3.809 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)c(C)c1 5401105 QSNDIWUFLYPUCI-UHFFFAOYSA-N 308.356 3.715 0 40 DHAB CC(=O)c1sc(NC(=O)C(C)(C)C)nc1-c1ccccc1 6159062 HRKJDJUOPVPWAZ-UHFFFAOYSA-N 302.399 3.997 0 40 DHAB Nc1ccccc1CCNC(=O)Nc1ccc(Cl)c(Cl)c1 6276737 XPQDGSHMTFQVSZ-UHFFFAOYSA-N 324.211 3.940 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)cc1F 7671761 BGCRRTICAWNSJO-VKJYCEFSSA-N 305.299 3.995 0 40 DHAB Cc1ccc(-c2nc(C(=O)Nc3nccs3)cs2)cc1 8060561 JSPONMXCSALVEJ-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB CC(=O)c1cccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1 8060982 LPRDGXYZGKONEY-UHFFFAOYSA-N 319.364 3.702 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccccn1 8129407 NIAPVDWNTBGFTM-GFCCVEGCSA-N 307.353 3.536 0 40 DHAB Cc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1 8869591 OVWVJYLDFKJPPJ-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB O=C(Nc1ccccc1C(F)(F)F)c1cnc2ccccc2n1 8980954 PIZBPIFVRAQDBC-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB CN(Cc1ccco1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 9457421 UUWCEKJKOZESDG-UHFFFAOYSA-N 321.380 3.615 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 10428895 DAEBRABOKUHSEM-UHFFFAOYSA-N 310.397 3.613 0 40 DHAB COc1ccc(C(=O)NCCC2CCCCCC2)cc1OC 10542450 BLCOCWALMFVNBB-UHFFFAOYSA-N 305.418 3.794 0 40 DHAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)C2CC2)cc1 10682595 QOJRZLRRJDEMBS-SFHVURJKSA-N 315.438 3.733 0 40 DHAB Cc1cc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ncn1 12016768 QGHDZERVMOCCRH-LLVKDONJSA-N 321.833 3.866 0 40 DHAB CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cccs2)cc1 12904635 GYBCNCONPPRHPF-YPMHNXCESA-N 317.410 3.595 0 40 DHAB Cc1ccc(/C=C/c2nc(=S)n(CN3CCC[C@H](C)C3)[nH]2)o1 14186821 JCDPTNXRJLORIX-GUOLPTJISA-N 318.446 3.702 0 40 DHAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(F)cc2)c1 14573461 LLMXEMWCOIOXFB-CQSZACIVSA-N 301.361 3.699 0 40 DHAB c1ccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 19927141 ODVVJXVYUJETBD-OAQYLSRUSA-N 306.453 3.709 0 40 DHAB COc1ccc(SCC(=O)Nc2cccc(F)c2)cc1OC 20457407 DCUSQTPWCAFHHL-UHFFFAOYSA-N 321.373 3.574 0 40 DHAB Cc1cc(C(=O)NCCCN(C)c2ccccc2)sc1C 23428043 LOZXHHIJCPNIAW-UHFFFAOYSA-N 302.443 3.621 0 40 DHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCCc2ccccc21 26462763 VJGVCFVKFIATIJ-CQSZACIVSA-N 322.408 3.669 0 40 DHAB O=C(Nc1ccccc1Cl)c1ccn(-c2ccc(F)cc2)n1 32644072 WLXYAEINKVMZEQ-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2cccc3cccnc23)cc1F 32745029 XTYNKOLRPINFHA-GFCCVEGCSA-N 324.355 3.874 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 32818531 IBPSRTSJPOSFPD-UHFFFAOYSA-N 310.353 3.746 0 40 DHAB CC(C)(C)SCC(=O)Nc1cccc(CN2CCCC2)c1 32827455 LAFLUMZCTVOSNT-UHFFFAOYSA-N 306.475 3.753 0 40 DHAB CC(C)(C)c1ccc(-c2noc(-c3cnc(N)s3)n2)cc1 34797867 GLOWHHJCQSUIMA-UHFFFAOYSA-N 300.387 3.740 0 40 DHAB Cc1cccc(N[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 36394169 SLYYXQPVZUDZFL-DNVCBOLYSA-N 308.425 3.989 0 40 DHAB O=C(CCc1ccc(Cl)cc1)N1CCOc2ccccc21 40090305 AFQJOOJSJUCGKX-UHFFFAOYSA-N 301.773 3.698 0 40 DHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1C 41091206 MBUKEASFLOPDCV-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CC(=O)c1csc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 44361176 RDHVDDBIJPPDAK-DTWKUNHWSA-N 320.336 3.653 0 40 DHAB O=C(Nc1cccc2c1CCCC2)N(C[C@@H]1CCOC1)C1CC1 48237034 JPUBSMKDBFNUAF-AWEZNQCLSA-N 314.429 3.598 0 40 DHAB CC[C@@H]1CCCC[C@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 48278679 LALXFUJYHGDEKH-RDTXWAMCSA-N 319.470 3.862 0 40 DHAB CC(C)OCc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 48373975 RPFXITQMFYISHR-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB CCN(C(=O)Cc1csc(-c2ccccn2)n1)[C@H](C)C(C)C 67114233 CORYIFIKCWDJHX-CYBMUJFWSA-N 317.458 3.641 0 40 DHAB CC(C)NC(=O)/C=C/c1cc2cc(Br)ccc2o1 67339376 LEMWASQERPZHBD-GQCTYLIASA-N 308.175 3.733 0 40 DHAB COc1ccccc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 71831365 DCMSLASSYNIYTB-HNNXBMFYSA-N 324.424 3.673 0 40 DHAB C[C@@H]1C[C@@H]1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889981 ZCJIXCQYTIIGJN-RISCZKNCSA-N 318.804 3.943 0 40 DHAB CCN(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72212752 UKSDBCSFXFRGAC-SFHVURJKSA-N 323.440 3.905 0 40 DHAB Cc1ccc(Oc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)o2)cc1 72260106 UEQLFAVTPXUDPF-ZIAGYGMSSA-N 315.369 3.630 0 40 DHAB CC(=O)c1ccc(Cl)c(NC(=O)COC2CCCCC2)c1 89292091 AOUQVSMACNKTRM-UHFFFAOYSA-N 309.793 3.830 0 40 DHAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(/C=C/C(=O)O)cc1 95425047 SHUPYDZHCVAAEI-VIIAAUOXSA-N 319.401 3.564 0 40 DHAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccc(C)c(C)c3)C2=O)c1 95915160 XSNNRSZZQNCWDV-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CC(C)C[C@@H](NC[C@H](O)c1ccccc1F)c1ccccn1 95967385 POFNULPCOJSEBD-MSOLQXFVSA-N 302.393 3.631 0 40 DHAB CC[C@@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccncc1 95968438 COYYQBARUNWOIM-QGZVFWFLSA-N 317.477 3.550 0 40 DHAB CCSc1ccccc1C(=O)NC[C@@H](OC)c1ccsc1 96097394 FZNPPUILEXJGDV-CQSZACIVSA-N 321.467 3.978 0 40 DHAB Cc1cc(CNC(=O)c2cc(Br)cs2)c(C)o1 96120544 GNVCDPPHBNPAFP-UHFFFAOYSA-N 314.204 3.650 0 40 DHAB CO[C@H]1CCN(Cc2csc(C)n2)C[C@@H]1Cc1ccccc1 96206249 YDMZLZHPINGFBY-WMZOPIPTSA-N 316.470 3.531 0 40 DHAB Cc1ccc(-c2ocnc2C(=O)OCc2cnc(C)s2)cc1 96425051 PJZUVQJOQHACEV-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB Clc1cncc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 96453452 ONGFDLQRCHMZGV-NSHDSACASA-N 314.776 3.655 0 40 DHAB CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(COC)c2)C1 96466357 RSDPBNOHKNJPHX-HZPDHXFCSA-N 322.474 3.971 0 40 DHAB CC1(C)CC(=O)C([C@H]2c3ccccc3O[C@@H]3C=CC=C[C@H]23)C(=O)C1 104266314 PFIATCKNWAZFSM-BOFPYLFWSA-N 322.404 3.848 0 40 DHAB COC(=O)c1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1F 181578497 DSHDLTAAROJTMV-JTQLQIEISA-N 323.314 3.741 0 40 DHAB CCOc1cc(C=O)ccc1OCCN1[C@@H](C)CCC[C@H]1C 217789536 UWWNHWFBMMLTNM-GASCZTMLSA-N 305.418 3.540 0 40 DHAB COC(=O)c1cn(C(=O)c2cc(C)ccc2C)c2ccccc12 222646215 VWUTYJFCFQPLLZ-UHFFFAOYSA-N 307.349 3.733 0 40 DHAB COCc1cccc(NC(=O)COc2cc(C)cc(C)c2C)c1 224267672 POFQTAHCENAVOO-UHFFFAOYSA-N 313.397 3.776 0 40 DHAB C[C@H](C1CC1)N(C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 225354505 AMRCHEXOZFYEQS-CHWSQXEVSA-N 308.853 3.590 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2cc[nH]c2)n[nH]1 225586268 KHDGSBUKTXMOFV-UHFFFAOYSA-N 321.167 3.964 0 40 DHAB CN(C)c1cccc(CC[C@@H]2CCCCN2Cc2cccnc2)n1 257286939 PNSPYMUGHLRQGI-IBGZPJMESA-N 324.472 3.530 0 40 DHAB Cc1cn(C)c([C@H]2CCCN2Cc2cccc3cccnc23)n1 257296995 RFHVQPLAOYYWRW-QGZVFWFLSA-N 306.413 3.614 0 40 DHAB Fc1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cc1 257341366 ZKANVPBIYWKRRU-GOSISDBHSA-N 322.387 3.744 0 40 DHAB CC[C@@H](C)n1cc(Br)c(COCC(F)(F)F)n1 408716393 MNNNNUNKGSNPDF-SSDOTTSWSA-N 315.133 3.696 0 40 DHAB COc1ccc(C(=O)NCc2ccc(-c3ccoc3)o2)cc1F 575609483 CGDHGCQZNFPJIP-UHFFFAOYSA-N 315.300 3.617 0 40 DHAB Cc1ncn(-c2c(Cl)cc(Br)cc2Cl)n1 2362803708 ZTMILMBZSDHWMB-UHFFFAOYSA-N 306.978 3.645 0 40 DHAB CN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@](C)(O)CC1(C)C 500692 BYULJHAZGCNJAY-CQSZACIVSA-N 317.216 3.742 0 40 DHAB N[P@](=O)(OCC(F)(F)F)Oc1cccc2ccccc12 3203057 ALSXCSXMEYZOQZ-FQEVSTJZSA-N 305.192 3.864 0 40 DHAB O=C(CCC(=O)c1cccs1)N[C@H]1CCCc2ccccc21 3304136 RTHNIUQZEXRMMZ-HNNXBMFYSA-N 313.422 3.905 0 40 DHAB Nc1ccccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 5616727 HAWFMWQIJFOTSK-UHFFFAOYSA-N 316.360 3.752 0 40 DHAB COc1cc(C)c(COc2ccccc2NC(C)=O)cc1OC 7263218 REOFVSJRDHAYTR-UHFFFAOYSA-N 315.369 3.550 0 40 DHAB CCC(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137545 UEKAKZAPKRMQPA-UHFFFAOYSA-N 316.445 3.997 0 40 DHAB COC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(C)cc2)c1C 11400401 ODEBIZGBAAFIGH-UHFFFAOYSA-N 317.410 3.702 0 40 DHAB O=c1[nH]cccc1-c1nc2ccccc2n1Cc1cccc(F)c1 12475024 BTWRAVWXWKKNRW-UHFFFAOYSA-N 319.339 3.579 0 40 DHAB Cc1cccc(NC(=O)CCCc2nc3ccccc3s2)n1 12527376 YCAJCNNCVZOMGX-UHFFFAOYSA-N 311.410 3.961 0 40 DHAB COc1cccc(-c2noc(-c3occc3Br)n2)c1 12655193 DXNGIXLIYRIGHO-UHFFFAOYSA-N 321.130 3.768 0 40 DHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C)cc2)cc1 12929946 FYXNGRGXBSGQLA-IBGZPJMESA-N 324.424 3.779 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(F)c1 12996812 SRQJSTBBPMXETO-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1cccc([C@@](C)(O)c2cnc(C)n2Cc2ccccc2)c1 13281781 GEXDFFCKCICNEA-HXUWFJFHSA-N 306.409 3.804 0 40 DHAB C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@H](C)O1 17326241 SJACXJCFCJVRHS-RYUDHWBXSA-N 319.788 3.849 0 40 DHAB Cc1cc2nc(CO)n(Cc3cccc(Cl)c3)c2cc1C 20719002 SRDGRSLNTKJSHF-UHFFFAOYSA-N 300.789 3.847 0 40 DHAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCc2ccccc21 24964022 LAJCRSFQVWTKFU-UHFFFAOYSA-N 323.783 3.933 0 40 DHAB COc1ccc(C)cc1NC(=O)CCOc1cccc(F)c1 32796419 OOBXDZLYSJWFPR-UHFFFAOYSA-N 303.333 3.550 0 40 DHAB O=C(C[C@H]1C=CCC1)NCc1ccnc(Oc2ccccc2)c1 32930559 MPQFLCXSVXNPGM-HNNXBMFYSA-N 308.381 3.846 0 40 DHAB CN(C(=O)NC1CCCC1)[C@H](c1ccccc1)c1ccccn1 36397084 JRNWEDSFKIQQSC-GOSISDBHSA-N 309.413 3.755 0 40 DHAB Cc1nc2ccc(NCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2s1 40012030 XFJFBNSAVPHXIW-RYUDHWBXSA-N 317.458 3.806 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2sccc2n1C 40786264 AWPGBWPKHBMDER-UHFFFAOYSA-N 316.430 3.886 0 40 DHAB CC(=O)Nc1ccc(NC(=O)NCc2ccccc2Cl)cc1 43654020 UNESRMDKXKZVKY-UHFFFAOYSA-N 317.776 3.620 0 40 DHAB CC(C)Oc1cccc(CNC(=O)CCc2ccccc2F)c1 46663176 CQZLMVUYWAWZIJ-UHFFFAOYSA-N 315.388 3.862 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CCC(=O)c3ccccc32)CC1 51943333 ZFNFZJGSXGFMBJ-UHFFFAOYSA-N 315.413 3.932 0 40 DHAB CCCCNC(=O)CSCc1ccccc1Br 58165027 KWENGTBVKBOWPL-UHFFFAOYSA-N 316.264 3.599 0 40 DHAB CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 69874347 INHMWPQARNGRKT-UHFFFAOYSA-N 304.390 3.723 0 40 DHAB COC[C@@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1 70667711 ZWOVLVZZYPDICD-CQSZACIVSA-N 315.438 3.744 0 40 DHAB CS[C@H](C)c1cccc(NC(=O)NC[C@@H](C)C[C@@H](C)O)c1 77705270 QYFHDKGKTSSIOP-YNEHKIRRSA-N 310.463 3.639 0 40 DHAB CSc1ccc(NC(=O)NCc2ccccn2)cc1Cl 83992933 LCNVIXCZCIIWSY-UHFFFAOYSA-N 307.806 3.779 0 40 DHAB Cc1c(C(=O)N[C@@H]2CCCc3occc32)cnn1-c1ccccc1 84045005 MEIJHGAZSDDTNT-QGZVFWFLSA-N 321.380 3.581 0 40 DHAB CC1(C)CC(NC(=O)NCC2CCCCCCC2)CC(C)(C)N1 84673239 AXHRSJGGTZRZPJ-UHFFFAOYSA-N 323.525 3.955 0 40 DHAB O=C(O)c1cccc(Nc2ccnc(Nc3ccccc3)n2)c1 96693871 XBVYWWMNFUTEBW-UHFFFAOYSA-N 306.325 3.662 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CN)(c2cccc(Cl)c2)CC1 98213760 ZVXLHIRDROFOPI-UHFFFAOYSA-N 324.852 3.567 0 40 DHAB CC(C)(C)NC(=S)N[C@H]1C[C@@H]2C[C@@H]1[C@H]1Cc3ccccc3[C@H]21 103992397 UGPHHVPJAMOOPF-WFKFIOEPSA-N 314.498 3.614 0 40 DHAB COc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1 113969347 IMAPULHZVVJOII-GFCCVEGCSA-N 319.788 3.605 0 40 DHAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 137289093 UREHTHJJGQMROH-NSHDSACASA-N 321.808 3.627 0 40 DHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C(=O)O)co1 183757521 CCQCBDMTJPVGRW-SNVBAGLBSA-N 313.309 3.557 0 40 DHAB COCC(=O)Nc1ccc(NCc2cccc(Cl)c2F)cc1 195539384 WXWNQTPFTRIRQA-UHFFFAOYSA-N 322.767 3.676 0 40 DHAB COc1ccc(Cl)cc1C(=O)n1cc(C=O)c2ccccc21 216955840 WJMNGWREXHSUAZ-UHFFFAOYSA-N 313.740 3.804 0 40 DHAB COc1ccc(-c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1 222575929 RUHKJKLAZPLZAS-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)OCc1ccccc1 225095816 OFEKSWLZMIEWKM-HNNXBMFYSA-N 324.298 3.918 0 40 DHAB CCOc1ccc(NC(=S)NCCCc2ccco2)cc1 225804507 BIRAOKUBJLFUQK-UHFFFAOYSA-N 304.415 3.598 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1cccc(Cl)c1 225995057 MHFMMGIMBBVYGI-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)cc1 226265507 OYSGQCWGWJMQHZ-UHFFFAOYSA-N 311.429 3.930 0 40 DHAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 250464631 FGLOMJVAZHMBEL-WBTNSWJXSA-N 301.430 3.882 0 40 DHAB C[C@@H](SCc1ccccc1)C(=O)NCCSC(C)(C)C 408921710 VVJNDWALKQSKKU-CYBMUJFWSA-N 311.516 3.956 0 40 DHAB Cc1cnc([C@@H](C)NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)s1 570020173 VTPIKJWXQZJNDE-SNPRPXQTSA-N 315.442 3.615 0 40 DHAB Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585147902 GYSMMXNUHIASAU-GOSISDBHSA-N 321.376 3.718 0 40 DHAB O=c1c2cc(-c3cccs3)nn2ccn1CC1CCCCC1 1889059887 WNZNAWGHWGXHOC-UHFFFAOYSA-N 313.426 3.805 0 40 DHAB CCn1c([C@@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 200764 VMSMWZIYCLZAME-GFCCVEGCSA-N 311.360 3.686 0 40 DHAB CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1C 200828 NMNOHVGBGDTDSK-HNNXBMFYSA-N 321.424 3.980 0 40 DHAB C[C@@H]1C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2Cc2ccccc21 209311 KGUJICJKGOBPND-BDJLRTHQSA-N 307.349 3.589 0 40 DHAB COc1cccc(NC(=S)Nc2ccc3nsnc3c2)c1 313295 OMPOESFIPIKBIM-UHFFFAOYSA-N 316.411 3.509 0 40 DHAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CCC1CCCC1 545985 VTZRMMBVWXYZHH-UHFFFAOYSA-N 314.385 3.863 0 40 DHAB COC(=O)/C=C/c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 1855612 LMFDBWKYNJXUEE-VQHVLOKHSA-N 304.389 3.757 0 40 DHAB CCCCN1C(=O)N(c2ccccc2C)[C@@](C)(O)CC1(C)C 3152377 PFJJXWUHBSCDBQ-SFHVURJKSA-N 304.434 3.914 0 40 DHAB Cc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1C 3533153 KLBJHVCNRNBGGF-UHFFFAOYSA-N 311.410 3.560 0 40 DHAB CCOc1ccccc1NC(=S)NCc1ccc(C)cc1 6936260 WABQYPPVXYAADT-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 7409028 RCYBTRZDTQKODC-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB Cc1cccc(OCCSc2ccc3c(c2)OCCO3)c1 7777725 ZWXQZZKIDLAQRQ-UHFFFAOYSA-N 302.395 3.937 0 40 DHAB O=C(c1ccncc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8104352 CGRXWFMZPREIEG-AWEZNQCLSA-N 323.421 3.711 0 40 DHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCO1 10100590 FNHAXFJTQIAUCZ-MRVPVSSYSA-N 314.819 3.643 0 40 DHAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)C(F)(F)F 10120050 FPGUTEZJOGLWFQ-UHFFFAOYSA-N 320.270 3.919 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2[nH]1 10129140 NGDRNYOVDLWVSF-UHFFFAOYSA-N 303.365 3.622 0 40 DHAB Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)c3ccccn3)nc2c1 12221582 LYEPCAVIQZVIPG-KRWDZBQOSA-N 320.396 3.634 0 40 DHAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2[nH]cnc2c1 12603886 DMJJPLBQECCGRU-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2Cc3ccccc3O2)cc1 12972256 VGPXVQOXOGWPJU-LIRRHRJNSA-N 309.409 3.991 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1cccc(Br)c1 12995424 IGFNYKKTFMPZFQ-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 13131355 SKZUFMZSQVXPKH-IRXDYDNUSA-N 319.412 3.623 0 40 DHAB aggregator C[C@H]1CCC[C@@H](C)N1Cc1nc(-c2cccnc2Cl)no1 13992544 PNQYUOZSVJQINS-PHIMTYICSA-N 306.797 3.548 0 40 DHAB CSc1ccc([C@H](C)NC(=O)COc2ccc(F)cc2)cc1 19935115 ZIBDRJUDYIRMLJ-LBPRGKRZSA-N 319.401 3.804 0 40 DHAB O=C(Cc1cnn(-c2ccccc2)c1)OC/C=C/c1ccccc1 23344964 YHOQOXOKRUWJIF-JXMROGBWSA-N 318.376 3.671 0 40 DHAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(OC(F)F)cc1 24833964 AGKTVSPRJHLNKM-JTQLQIEISA-N 309.287 3.918 0 40 DHAB O=C(NCC1CCCCC1)c1ccc(CN2CCCCC2)cc1 27623863 QUHVOTWMXAYXHV-UHFFFAOYSA-N 314.473 3.983 0 40 DHAB Cc1cccc(-c2nc(CSc3nccn3C3CC3)no2)c1 32331216 QHWLMOXJIWGCRK-UHFFFAOYSA-N 312.398 3.869 0 40 DHAB CCn1cc(-c2nnc(SCc3ccccc3C)o2)cn1 32648585 LHUZJRUHQIBTCX-UHFFFAOYSA-N 300.387 3.554 0 40 DHAB CC[C@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccc(C)cc1 32913088 BZXALDGTAVWSKE-KRWDZBQOSA-N 323.396 3.714 0 40 DHAB CC1CCN(Cc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 38835708 AJEWILLVKAYXNT-UHFFFAOYSA-N 314.473 3.791 0 40 DHAB Clc1ccc(NCc2cc(CN3CCOCC3)cs2)cc1 45796094 MTVAONQABCKJQB-UHFFFAOYSA-N 322.861 3.846 0 40 DHAB CCN(CC)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 45990197 AEFHMTVBEYAYJA-UHFFFAOYSA-N 317.364 3.564 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)o1 48346815 BTYKPCQVESKOKG-DOMZBBRYSA-N 311.385 3.995 0 40 DHAB CSCC(=O)Nc1cccc(Cl)c1Oc1cccnc1 49118874 CMGGAZLXCTVIGZ-UHFFFAOYSA-N 308.790 3.829 0 40 DHAB C[C@H](NCC(=O)Nc1cccnc1Cl)c1ccccc1Cl 57752001 RFKVEFZGCJUYLS-JTQLQIEISA-N 324.211 3.678 0 40 DHAB Cc1cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)on1 57867580 UNUVXCTYVXKXQB-UHFFFAOYSA-N 318.329 3.603 0 40 DHAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)[C@H]1CCOC1 58309129 MDGRBKRVPBBTPC-WFASDCNBSA-N 321.829 3.644 0 40 DHAB Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 58354641 CMWKYWPZPGRYCU-UWVGGRQHSA-N 306.793 3.926 0 40 DHAB CCC[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 69703816 IUXLYECLRJBZAW-HUUCEWRRSA-N 308.491 3.513 0 40 DHAB Nc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72212390 XBPKGZZEHOKKJL-MRXNPFEDSA-N 311.385 3.528 0 40 DHAB Cc1cc(N2CCN(C(C)C)CC2)ncc1SC(C)(C)C 72223719 KFXKVALXUXVQSB-UHFFFAOYSA-N 307.507 3.811 0 40 DHAB C[C@H](Sc1ncnc2nc[nH]c12)c1ncc(-c2ccccc2)o1 72294590 QLPXRPJBVVHYRP-JTQLQIEISA-N 323.381 3.861 0 40 DHAB CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1OCC 76275007 YGKOLTOHVYYISK-UHFFFAOYSA-N 315.369 3.794 0 40 DHAB O=C(NCC[C@H](O)c1cccc2ccccc12)c1ccccc1F 77116362 KGFMXMDGOSJBDG-IBGZPJMESA-N 323.367 3.832 0 40 DHAB O=C(C=C1CCCCC1)N(Cc1ccncc1)Cc1cccnc1 79048803 DPJXCVKVBOXTCS-UHFFFAOYSA-N 321.424 3.896 0 40 DHAB COCCN(Cc1ccoc1)C(=O)c1cccc2ccccc12 85474274 DNAUNCVPRYGWFC-UHFFFAOYSA-N 309.365 3.722 0 40 DHAB FC(F)(F)c1ccnn1-c1ccc(NCc2cscn2)cc1 89793158 ADEZTOLCHTVGIR-UHFFFAOYSA-N 324.331 3.960 0 40 DHAB Nc1nc(Cl)cc(N2CCCC[C@H]2CCc2ccccc2)n1 89830460 MYVZICJDIOIQDA-AWEZNQCLSA-N 316.836 3.704 0 40 DHAB FC(F)(F)c1nnc(NCc2cnc3ccsc3c2)s1 95939354 SYDWLLPGVUQDSI-UHFFFAOYSA-N 316.333 3.779 0 40 DHAB Cc1cc(C)c(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)o1 95963922 PPWBOFNRTHXIGZ-LLVKDONJSA-N 309.312 3.989 0 40 DHAB Cc1cccc(CC[C@@H](C)NC2CCC3(CC2)OCCO3)c1 95967333 WYLHNZZWYGQJIS-MRXNPFEDSA-N 303.446 3.591 0 40 DHAB CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1c(C)nn(C(C)C)c1C 96452230 QNGNHKNMARSCPX-UONOGXRCSA-N 324.494 3.877 0 40 DHAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCC(F)(F)F)C1 97014465 BRSSXUUEBBKWCU-RYUDHWBXSA-N 324.387 3.564 0 40 DHAB CC[C@H]1C[C@@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CCN(C2)[C@H]13 104083590 GZIPIZQXYGKJCX-VLBMKZOESA-N 324.468 3.947 0 40 DHAB CCc1c(C(=O)N2CCc3ccc(C)cc32)[nH]c(C)c1C(C)=O 122101211 SEOPYVIHNZOKIP-UHFFFAOYSA-N 310.397 3.599 0 40 DHAB CSC1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 130077013 RBZPUAQPNVQIKY-NWDGAFQWSA-N 311.413 3.609 0 40 DHAB COc1cccc(C[C@@H](Sc2ccc(C)cc2)C(=O)O)c1 225100493 VNMIJKFTYDSKNW-MRXNPFEDSA-N 302.395 3.792 0 40 DHAB CC(C)Oc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 225323973 HQYIMISSIYTOJJ-IOASZLSFSA-N 304.459 3.949 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC(C)CC1 225840568 QNCAQWHQXDYAAV-LJQANCHMSA-N 315.457 3.981 0 40 DHAB CCC[C@H](C)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 225914055 ANHVWSWOPDQMQY-LBPRGKRZSA-N 312.417 3.755 0 40 DHAB O=C1Oc2ccccc2C[C@H]1/C=C/c1cc2ccccc2oc1=O 255190824 ZTPSTIYHFTYIFZ-ZNFPLGDCSA-N 318.328 3.584 0 40 DHAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCC[C@@]31C2 257212190 CCHNBKCQWULBML-HGJKNBTDSA-N 319.489 3.913 0 40 DHAB CCN1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O 409095994 CDWKGQSXCNUUFO-NTEUORMPSA-N 305.399 3.778 0 40 DHAB COc1ccc(C(=O)NCc2ccc(-c3cccs3)o2)cc1 575607912 FGESSTYJFGTMTF-UHFFFAOYSA-N 313.378 3.947 0 40 DHAB Cc1cccc(C)c1NC(=O)N1CCCC[C@H]1[C@@H](C)CN(C)C 583651153 IFZQQOUOKNKASK-IRXDYDNUSA-N 317.477 3.888 0 40 DHAB CO[C@@H](CNc1nccc(C(F)(F)F)n1)c1ccc(C)s1 1776001678 GDLQYUKEIGYRFL-VIFPVBQESA-N 317.336 3.665 0 40 DHAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CC[C@H](C)C3)o1 90058 MINMSVKRWFZVNI-QMMMGPOBSA-N 319.382 3.725 0 40 DHAB Cc1cccc2nc(=S)n(C(=O)c3ccc(Cl)cc3)n12 93955 WDAMKDURCVARQH-UHFFFAOYSA-N 303.774 3.516 0 40 DHAB CC(=O)C[C@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 258801 VIPXFWAEAQHKHN-MRXNPFEDSA-N 322.813 3.834 0 40 DHAB Cc1cc2nnc(SCCOC(C)C)n2c2ccccc12 1924335 CKTLOVFANCHQAQ-UHFFFAOYSA-N 301.415 3.708 0 40 DHAB CCO/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 2071034 TVUWMRNEJNELGL-SFQUDFHCSA-N 307.349 3.559 0 40 DHAB CCOc1ccccc1OCCC(=O)Nc1ccc(F)cc1F 2622534 XOUWWPPWSPWBKV-UHFFFAOYSA-N 321.323 3.771 0 40 DHAB CC(=O)Nc1ccccc1NC(=O)c1ccc2ccccc2c1O 4503303 FUTFEVZXFIOCND-UHFFFAOYSA-N 320.348 3.756 0 40 DHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](O)c1ccccc1 6409093 SRJZGAYISXWETC-XHDPSFHLSA-N 304.777 3.584 0 40 DHAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 6965743 SEZXZEIICNDHAK-PMUMKWKESA-N 306.365 3.915 0 40 DHAB Cc1cc(S(=O)(=O)NC2CCCCC2)c(C)cc1Cl 8714868 BNEPIUYGNZGXOO-UHFFFAOYSA-N 301.839 3.568 0 40 DHAB O=C(NCCc1ccccc1F)Nc1nc2ccccc2s1 10101966 HIZHIYNFZSYVBO-UHFFFAOYSA-N 315.373 3.800 0 40 DHAB C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(C(C)(C)C)cc1 10861255 GWRFJIBZOWEXBI-GFCCVEGCSA-N 315.442 3.893 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 12133316 QRIVIVMMOGMNIC-UHFFFAOYSA-N 314.772 3.501 0 40 DHAB CCCCNC(=O)c1csc(COc2ccc(Cl)cc2)n1 12880681 ZVWQSFVVRAOQSP-UHFFFAOYSA-N 324.833 3.905 0 40 DHAB COc1cccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c1 13701310 YCGOKYXNBWZERT-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB CC(C)C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 14257748 QZGRMZZIEHKRDD-UHFFFAOYSA-N 324.755 3.828 0 40 DHAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)cc2)cc1 18131745 DIXBJKCUAOVPGY-GOSISDBHSA-N 313.397 3.975 0 40 DHAB Cc1ccc(-n2nnnc2SCc2ccc(Cl)s2)cc1 21372990 JTFNILYGZZPLTO-UHFFFAOYSA-N 322.846 3.978 0 40 DHAB Cc1cc(C)cc(N[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 21819652 ZWPYGOPWURTDDI-OAHLLOKOSA-N 314.404 3.602 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1F 32585934 YBYUEGXSCAWIFG-UHFFFAOYSA-N 323.389 3.759 0 40 DHAB COc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)no1 32922716 RCEJTTPYLGDIFP-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB CCOc1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1 32985322 VMANMQHSEHQIRG-UHFFFAOYSA-N 309.365 3.523 0 40 DHAB O=C(NCc1nccs1)c1cc2c(s1)CCCCCC2 36394485 PMAQHRCJIXETHO-UHFFFAOYSA-N 306.456 3.794 0 40 DHAB Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)c(C)c1 36635512 GIIPNRHPTPSWRA-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(O)cc1 45529282 QWPMBZUDAKJRQX-OAHLLOKOSA-N 316.426 3.673 0 40 DHAB CNC(=O)c1cccc(CNc2cc(C)c3ccccc3n2)c1 45733623 GRUUBNJTGUZBMS-UHFFFAOYSA-N 305.381 3.515 0 40 DHAB CC(=O)Nc1ccc(F)c(C(=O)N(C2CCCCC2)C2CC2)c1 58308427 ROQKSSFRXIXIRA-UHFFFAOYSA-N 318.392 3.721 0 40 DHAB CC(C)c1ccc([C@H](C)NC(=O)c2cc(N)nc(Cl)c2)cc1 58434559 SFMKPLDUEULHBV-NSHDSACASA-N 317.820 3.932 0 40 DHAB c1ccc(-c2noc(NC[C@H]3CCN(c4ccccc4)C3)n2)cc1 65479169 CMXLHNQBNIWVNI-OAHLLOKOSA-N 320.396 3.675 0 40 DHAB Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)no1 70013128 XRCCOXBJHULHND-LLVKDONJSA-N 317.242 3.547 0 40 DHAB CN(Cc1cnccn1)C(=O)Nc1ccccc1-c1cccs1 71910907 SEWFMKXFNLKKOU-UHFFFAOYSA-N 324.409 3.869 0 40 DHAB C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(C(C)(C)C)cc1 72881651 VZAVSTGRAXDHEW-AWEZNQCLSA-N 302.462 3.503 0 40 DHAB CCN(CCO)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 95934589 FENXSFXFBWZCAT-QGZVFWFLSA-N 317.816 3.578 0 40 DHAB CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C(C)(C)O1 95993884 ALUPKYBXLPMEJV-BZPMIXESSA-N 323.383 3.531 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1C 101275517 NILRWCKAVSGCSB-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CC(C)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)cc1 102259297 ASPCYJVMDPAVEH-OTRWWLKZSA-N 313.397 3.662 0 40 DHAB O=C(NCc1csc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 106062900 LCTBMZAWJAITRU-LSJOCFKGSA-N 314.248 3.563 0 40 DHAB O=C(NC[C@@H]1SCCc2ccccc21)[C@@H]1C[C@H]1c1ccco1 107150863 VQMULJVTZUGLAK-INMHGKMJSA-N 313.422 3.530 0 40 DHAB CC(=O)c1ccc(OCc2nccn2C(F)F)c(Cl)c1 128509116 ALEUWUAIALJCNC-UHFFFAOYSA-N 300.692 3.713 0 40 DHAB O=C(c1cnccn1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206878946 ARQGCMIEWRUHSC-AWEZNQCLSA-N 315.804 3.540 0 40 DHAB O=C(NC[C@H]1CCCN1c1ccccc1)Nc1ccc(F)cc1 211119631 YCXKHDNQKFRYCB-QGZVFWFLSA-N 313.376 3.616 0 40 DHAB O=C(Cc1ccsc1)N1CCS[C@H](c2ccco2)CC1 219416256 ZRDBKPLGEWTOGR-AWEZNQCLSA-N 307.440 3.590 0 40 DHAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 224679272 NCAOBVNOUIQYDN-UHFFFAOYSA-N 319.426 3.689 0 40 DHAB COc1ccccc1C[C@H](Sc1ccc(C)cc1)C(=O)O 225097902 UVXJBPQKVZNBOC-INIZCTEOSA-N 302.395 3.792 0 40 DHAB COc1cccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)c1 225100097 FARKPJLOCWNDOG-SFHVURJKSA-N 314.381 3.695 0 40 DHAB Cc1nc(/C=C2/SCCN2C(=O)c2cccc(F)c2)cs1 225259695 MKRIRPLMUKKXTD-RIYZIHGNSA-N 320.414 3.778 0 40 DHAB N#Cc1cccc(C(=O)NCCCc2cc3ccccc3o2)c1 390829120 CUKZCJPEOSYKDC-UHFFFAOYSA-N 304.349 3.667 0 40 DHAB CC(C)c1cc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)n[nH]1 524732307 JFJOFCUPZPDKDG-HNNXBMFYSA-N 322.412 3.822 0 40 DHAB N[C@@H]1CCO[C@H]1c1cncc(-c2ccc(Cl)c(Cl)c2)c1 585090621 AWQIJQBCZXFUKA-CABCVRRESA-N 309.196 3.844 0 40 DHAB CCc1cc(N2CCC[C@H](c3nc4ccccc4o3)C2)ncn1 592455791 IIBOAQHNMGHMCN-ZDUSSCGKSA-N 308.385 3.564 0 40 DHAB c1ccc(-c2cc(-c3ccccc3)nc(N3CCOCC3)n2)cc1 353333 YUFMCTBRMVCAIY-UHFFFAOYSA-N 317.392 3.647 0 40 DHAB O=C(NC1CCCCCCC1)c1cccc(N2CCCC2=O)c1 429235 JNKGWFLYFIMGBS-UHFFFAOYSA-N 314.429 3.656 0 40 DHAB Cc1ccc(-c2nc(NCCN(C)C)c3ccccc3n2)cc1 914952 YRVADAYVZPUTCZ-UHFFFAOYSA-N 306.413 3.579 0 40 DHAB COc1cccc2cc(-c3ccnc(-c4ccncc4)n3)oc12 1399315 UATYZUGZEQATTQ-UHFFFAOYSA-N 303.321 3.960 0 40 DHAB CN(C[C@H](O)COc1cccc2ccccc12)C1CCCCC1 3293098 KEEFQICJHPCWPG-SFHVURJKSA-N 313.441 3.844 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 3900968 WHRHSPJKHGPVCS-OGXIQJDLSA-N 322.191 3.695 0 40 DHAB Clc1ccc(OCc2cn3cccnc3n2)c2ncccc12 4013598 WEATWSHJRYOINE-UHFFFAOYSA-N 310.744 3.510 0 40 DHAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)NC(C)(C)C)cc1 4854520 JTNZRIYAGXLBIT-QGZVFWFLSA-N 311.429 3.710 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccc(O)c1 5076844 ZXNFQUVMRKSHEI-GFCCVEGCSA-N 323.348 3.610 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 5192327 ZCWXULOWZSBJPZ-UHFFFAOYSA-N 319.286 3.512 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)c2ccccc2)c1 5347475 KPKBLGNBUMGDDG-ZDUSSCGKSA-N 303.789 3.905 0 40 DHAB CN(CC[C@@]1(C)C(=O)CCc2ccccc21)Cc1ccccc1 5495695 ZMKGNTPUJWEYCT-OAQYLSRUSA-N 307.437 3.982 0 40 DHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)cc1 5531412 DBRIDPKKEGKTLH-GFCCVEGCSA-N 323.348 3.605 0 40 DHAB Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)s1 5637691 HHRBVCMKOZYOPX-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1cccc(F)c1)n2C 6202291 JLCUCCJHISAIJF-HTXNQAPBSA-N 314.385 3.737 0 40 DHAB CSc1ncc(Cl)c(C(=O)Oc2ccc(C)cc2C)n1 6810431 DEPDIVFZEJFMOU-UHFFFAOYSA-N 308.790 3.688 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccccc2F)N1CC(F)(F)F 7113344 YDDOFYNIFWBSSI-AWEZNQCLSA-N 324.277 3.955 0 40 DHAB COc1ccc(CNCc2cc(Cl)c(OC)c(OC)c2)cc1 7538550 FGZQUUKUDNUGGA-UHFFFAOYSA-N 321.804 3.656 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 7910776 CQQULLNVHZBICO-UHFFFAOYSA-N 316.357 3.557 0 40 DHAB CCc1ccc(OC)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 8132579 MSOBSDCMBNCZPP-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(OC(F)F)cc1 8728736 NPILPYZRQSFIKI-SNVBAGLBSA-N 324.352 3.802 0 40 DHAB C[C@@](CC(=O)Nc1ccccc1Cl)(C(=O)O)c1ccccc1 8993889 YFFFIHYOACZTBV-KRWDZBQOSA-N 317.772 3.711 0 40 DHAB CSc1ccccc1NC(=O)C(=O)Nc1ccc(C)c(C)c1 10326721 YFSYGDPEUVRVOP-UHFFFAOYSA-N 314.410 3.603 0 40 DHAB Cc1ccc(S(C)(=O)=O)cc1NCc1ccccc1Cl 11037880 NZFRWNLOPUMXNX-UHFFFAOYSA-N 309.818 3.664 0 40 DHAB O=C(Nc1ccccc1)c1ccc(OCc2cscn2)cc1 12866391 CYFJNIYPABEFEI-UHFFFAOYSA-N 310.378 3.974 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 16086509 YWYRZVCFAKDNQO-ZDUSSCGKSA-N 323.845 3.996 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1F)c1cc(F)cc(F)c1 16130023 GDZLICNSWVPADJ-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB O=C(NCc1cccs1)c1cn[nH]c1-c1ccc(Cl)cc1 21328915 WBUFNZZFFJDZQO-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1C 21796367 KRSBXYJSEGJYGW-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CCN(CC)C(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245938 ACMDHSUWVUZZHX-UHFFFAOYSA-N 307.394 3.816 0 40 DHAB O=C(CCc1ccccc1)Nc1ccn(Cc2ccccc2F)n1 27915941 KJNGNAPEULYKMF-UHFFFAOYSA-N 323.371 3.642 0 40 DHAB CCOc1ccc(/C=C2\SC(=S)N=C2O)cc1OCC 29126313 ATVVOJDARQFAJF-WQLSENKSSA-N 309.412 3.813 0 40 DHAB CN(C)c1ccc(C(=O)N(C)c2ccc3ccccc3c2)cn1 32320500 GQUBSJUSOIWFMP-UHFFFAOYSA-N 305.381 3.577 0 40 DHAB CC(C)c1nnc(SC[C@@H](O)c2ccc(F)cc2)n1C1CC1 32900857 HIKRBHVUYPHHHM-CQSZACIVSA-N 321.421 3.701 0 40 DHAB Cc1ccccc1C(=O)c1cccc(I)c1 43210202 FALNVZAMANZEPN-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)Nc1nnc(C2CC2)s1 43359420 NGJHLUNCWRFFTK-SNVBAGLBSA-N 302.403 3.640 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(F)c2)on1 44966544 PCCHXSVXUIQRBU-DOMZBBRYSA-N 317.364 3.730 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)CCOc1ccc(F)cc1 45318735 OAMVIQKERSXTOM-CQSZACIVSA-N 301.361 3.814 0 40 DHAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)C(F)(F)F 57316754 IMCYBLARHDGSMX-UHFFFAOYSA-N 320.270 3.673 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 58264922 WEJGXHSGJWEHCX-KOLCDFICSA-N 308.353 3.767 0 40 DHAB Cc1nccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)n1 58402553 XIKCUTVABMCPTH-SECBINFHSA-N 324.211 3.925 0 40 DHAB CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3cc[nH]n3)cc2C1 60063280 WFMYJRFAHBYARS-NSHDSACASA-N 303.431 3.875 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1Cl 74949309 GVZHXXZSNJQTFB-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB Cc1ccccc1CC1CN(C(=O)c2cc(F)cc(F)c2)C1 85479752 ARKFFHNMWVGQBF-UHFFFAOYSA-N 301.336 3.588 0 40 DHAB CCc1ccccc1NC(=O)C[C@H](C)NCc1cccs1 89289565 OFLRPURJOYBZCI-ZDUSSCGKSA-N 302.443 3.817 0 40 DHAB Cc1cc(C[S@](=O)Cc2csc(-c3ccsc3)n2)no1 89604995 XORYQFIGLAJVCI-HXUWFJFHSA-N 324.452 3.617 0 40 DHAB c1ccc2c(c1)SCC[C@@H]2NCc1cn2ccsc2n1 95421019 GPFFAXHLVUKIMF-ZDUSSCGKSA-N 301.440 3.723 0 40 DHAB CN(Cc1cccnc1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 95995187 VCMRYUWELCYTNN-LBPRGKRZSA-N 317.355 3.590 0 40 DHAB COCc1ccccc1CN[C@@H](C)CCc1n[nH]c2ccccc12 96008163 PVFMGGWLXPAHOC-HNNXBMFYSA-N 323.440 3.820 0 40 DHAB Fc1ccc(CN2CCC3(CCCN3CC3CC3)CC2)cc1 96049299 JEGLSOUCZWVJGY-UHFFFAOYSA-N 302.437 3.666 0 40 DHAB Cc1noc(C2CC2)c1C(=O)Nc1cc(-c2cccs2)n[nH]1 97100570 FUNGDNHMUROEDP-UHFFFAOYSA-N 314.370 3.564 0 40 DHAB O=C(NCc1cccc(N2CC=CC2)c1)Nc1ccccc1F 101225366 OBYRRZLRKMACSN-UHFFFAOYSA-N 311.360 3.524 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)C1CCC1 172698519 BQNGXDJIPHSSFP-UHFFFAOYSA-N 304.390 3.882 0 40 DHAB Cc1cccc(CSCCNC(=O)c2ccc(F)cc2)c1 219036865 CIVWBJHWAOTVTP-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB O=S(=O)(Cc1ccccc1)Nc1ccc2c3c(cccc13)CC2 224166255 OJDMHJJNPSXEMW-UHFFFAOYSA-N 323.417 3.880 0 40 DHAB COc1ccc([C@@H](O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225356567 FXXPDTVGZAPIQQ-GOSISDBHSA-N 314.381 3.574 0 40 DHAB COc1cccnc1NC(=S)N[C@H](C)c1ccc(C)cc1C 225479508 ZFYOKQWQDLTIKA-CYBMUJFWSA-N 315.442 3.755 0 40 DHAB COc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C(C)C 225666374 VANNQCPHAIIJGI-IAGOWNOFSA-N 319.445 3.503 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1C 225724650 ZYCDCPLFYWTSJP-GOSISDBHSA-N 305.418 3.928 0 40 DHAB Cc1cc2nccc([C@@]3(C)CCCN3CCc3ccccc3)n2n1 257210661 BVPRFDBOJHWJJR-HXUWFJFHSA-N 320.440 3.591 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 999897 PQOOZCYAAYBTNR-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB C1CCC(Nc2nc3nonc3nc2NC2CCCCC2)CC1 1028372 HAAIAOJOWJOCAA-UHFFFAOYSA-N 316.409 3.502 0 40 DHAB O=C(O)c1cnc(-c2ccccc2)nc1Sc1ccccc1 1386394 VMNWBZBIDVMIPG-UHFFFAOYSA-N 308.362 3.993 0 40 DHAB CN1CCC2(CC1)O[C@@H](c1ccccc1)[C@@H](c1ccccc1)O2 1577615 VDZYAJURYXVGDG-KDURUIRLSA-N 309.409 3.938 0 40 DHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C(=O)O 2650133 WAXFXNZSSJFCGG-UHFFFAOYSA-N 319.575 3.898 0 40 DHAB O=S1(=O)c2ccccc2N=NN1Cc1ccc(Cl)cc1 4105263 MZMPHTYABLLWQW-UHFFFAOYSA-N 307.762 3.543 0 40 DHAB Cc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 4361096 KDIZYCUTBQXPKK-UHFFFAOYSA-N 306.394 3.612 0 40 DHAB Cc1ccccc1Nc1nc(C(=O)NCCC(C)C)cs1 4687861 YHRNTYGAGGMCJY-UHFFFAOYSA-N 303.431 3.971 0 40 DHAB O=C1c2ccccc2[C@]2(c3ccccc3)C=NN[C@@]12c1ccccc1 5052006 CNUBOASBXXWUIX-YADHBBJMSA-N 324.383 3.654 0 40 DHAB O=C(Nc1ccc(-c2nnc(S)s2)cc1)c1ccccc1 6060784 BVRBJTWXXYDTJL-UHFFFAOYSA-N 313.407 3.746 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)c1noc2c1CCCC2 7000280 JIFWZYWSCXZXQY-UHFFFAOYSA-N 320.776 3.776 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1C 12435701 GHHAYOQQYKQULC-UHFFFAOYSA-N 308.381 3.904 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(O)c(Cl)c1 12889186 CSAQFZKGPJATMW-GFCCVEGCSA-N 303.789 3.797 0 40 DHAB Cc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 14424052 KOUBPRDBVYEGEJ-UHFFFAOYSA-N 322.408 3.920 0 40 DHAB CN(Cc1ccccc1Cl)C(=O)NCCc1ccccc1 17115793 NXAVSPKDWGTNHH-UHFFFAOYSA-N 302.805 3.724 0 40 DHAB COc1ccc(C2(CNC(=O)c3cccs3)CCCC2)cc1 21691148 GWCUXSBDTYKASD-UHFFFAOYSA-N 315.438 3.999 0 40 DHAB CN(Cc1ccsc1)C(=O)c1cccc(Nc2ncccn2)c1 24686057 UPCPWALZCVGSDF-UHFFFAOYSA-N 324.409 3.554 0 40 DHAB CCn1nccc1CNC(=O)Nc1cccc(Cl)c1Cl 28219468 SQHBIJGYBSTVPD-UHFFFAOYSA-N 313.188 3.532 0 40 DHAB O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccccc1 32797238 XFTOSWCBTJIEPM-UHFFFAOYSA-N 322.330 3.747 0 40 DHAB CC(C)c1noc2ncc(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cc12 33100817 KFLMAZSDZSWOAN-TZMCWYRMSA-N 315.417 3.997 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)[C@H]1CC(c2ccccc2)=NO1 40090209 SXWKCOCLSNSLEK-OAHLLOKOSA-N 318.735 3.611 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCCSC(F)(F)F 40118575 HOLGNOJVYXKGMC-AATRIKPKSA-N 309.740 3.722 0 40 DHAB Brc1cc(-c2ccccc2)ccc1O[C@@H]1CCNC1 42774755 CLDWEXYLGINHEU-CQSZACIVSA-N 318.214 3.857 0 40 DHAB Cc1cc(CN(C)C(=O)N[C@@H](c2cccs2)C(C)C)no1 48368716 TYMXMCRDZBPUJT-CQSZACIVSA-N 307.419 3.583 0 40 DHAB CN(Cc1csc(-c2ncccn2)n1)CC1CCCCC1 51201692 VKVAOUSVFABWFF-UHFFFAOYSA-N 302.447 3.612 0 40 DHAB CS[C@@H](C)C(=O)Nc1ncccc1OCC1CCCCC1 58171652 DRTRJFCPBOIKTI-LBPRGKRZSA-N 308.447 3.731 0 40 DHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3C)CC2=O)c1 59227268 PJDSPRHAYNZHKC-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CCOC(=O)Nc1nc2c(C)cc(Br)cc2s1 61992277 ZQVZUAHKSOXNGS-UHFFFAOYSA-N 315.192 3.936 0 40 DHAB Cc1ccc(F)cc1N1Cc2cc(Cl)ccc2OCC1=O 65184563 AVBLJXJDKJJERY-UHFFFAOYSA-N 305.736 3.713 0 40 DHAB Cc1ccc([C@H]2C[C@H]2C(=O)N(Cc2ccncc2)C2CC2)s1 65607087 QISHWZOJYWPSCG-JKSUJKDBSA-N 312.438 3.746 0 40 DHAB O=C(Nc1ccccn1)c1cnc(Cc2ccc(F)cc2)s1 69558845 WYMOCOCRBZYURY-UHFFFAOYSA-N 313.357 3.520 0 40 DHAB Cc1noc2ncc(-c3nnc(-c4ccccc4Cl)o3)cc12 69660651 HZOPDOISQYOKLI-UHFFFAOYSA-N 312.716 3.902 0 40 DHAB O=c1c2ccccc2nc(NCc2ccco2)n1-c1ccccc1 71283931 QVOYOKIMGIOTTH-UHFFFAOYSA-N 317.348 3.591 0 40 DHAB CCOc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3ccccc32)cc1 71499471 SMJWXIIHLJANEI-NRMKIYEFSA-N 323.392 3.913 0 40 DHAB CC[C@@H](NC(=O)N[C@H](C)Cc1ccsc1)c1nc(C)cs1 71856656 BXGRULKQFIGNLN-ZWNOBZJWSA-N 323.487 3.895 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 72214844 NRMYGDNKUBBUIN-OAHLLOKOSA-N 319.449 3.998 0 40 DHAB NNc1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 72229664 KCNBSALJIPXKIS-UHFFFAOYSA-N 324.365 3.580 0 40 DHAB Cc1cc(C(=O)Nc2cccc3[nH]ccc23)c2c(C)noc2n1 72404895 NARKDHRGKWCQNE-UHFFFAOYSA-N 306.325 3.573 0 40 DHAB COc1ccccc1C(=O)NC1(c2nc(C)cs2)CCCC1 78673704 LLFLTKHOZFGJGN-UHFFFAOYSA-N 316.426 3.659 0 40 DHAB CCc1nnc(CSCc2cc(-c3ccccc3)on2)o1 89296272 BCNMYCIGPDMQBO-UHFFFAOYSA-N 301.371 3.720 0 40 DHAB COc1ccc([C@H]2CCN(Cc3ccccc3NC(C)=O)C2)cc1 92783591 YXKUKKPJNCUFOV-KRWDZBQOSA-N 324.424 3.643 0 40 DHAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](CC(C)C)S1 95475606 WGEVVVWEPNHSJC-GFCCVEGCSA-N 309.435 3.824 0 40 DHAB O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccc2ccccc2c1 95956260 ZWMFDGVWJDSXMR-SFHVURJKSA-N 304.393 3.695 0 40 DHAB COc1ccc2sc(C(=O)NCCc3ccco3)c(C)c2c1 95961418 RGNHXHWNNQMFMZ-UHFFFAOYSA-N 315.394 3.784 0 40 DHAB Cc1ccccc1Oc1ccnc(CNC(=O)N(C)C(C)C)c1 95964707 CVWOEKMQCUMWCR-UHFFFAOYSA-N 313.401 3.732 0 40 DHAB C[C@H](NC[C@](C)(O)c1cccs1)c1cnc2ccsc2c1 95968307 LUBMEQVMYMOYGR-ZBEGNZNMSA-N 318.467 3.916 0 40 DHAB C[C@H]1CCOCCN1C(=O)Nc1ccc(OC2CCCC2)cc1 95984732 QXSKZDRKDKLCCL-AWEZNQCLSA-N 318.417 3.651 0 40 DHAB CCS(=O)(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1C 96413046 UODWXWILEOIDKY-CQSZACIVSA-N 318.442 3.930 0 40 DHAB Cc1cccc([C@@H](C)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1 96437022 KEMKSPONGWJJQA-CQSZACIVSA-N 318.442 3.848 0 40 DHAB COc1ccc(CCNC(=O)CCc2ccc(C)c(C)c2)cc1 96621679 GOHCVZIWEIHKBD-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB C[C@@H](CCc1ccco1)Nc1cccc(N2CCCNC2=O)c1 97232162 HWXKEGKBQHZMIV-AWEZNQCLSA-N 313.401 3.633 0 40 DHAB CC(C)c1ccc(OCC(=O)n2cc(CO)c3ccccc32)cc1 216721040 DWXYXBNCLBIZSO-UHFFFAOYSA-N 323.392 3.976 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2cc(C)ccc2C)cc1 219276236 OJXCBCMKGAFWID-KRWDZBQOSA-N 311.425 3.738 0 40 DHAB COc1ccc(O[C@H](Cc2ccc(Cl)cc2C)C(=O)O)cc1 225074971 NSXHAPJCLUVWAQ-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CC1(C)COc2ccc([C@@H](O)c3ccccc3F)cc2OC1 225356843 PIAGHEDQDOATOZ-QGZVFWFLSA-N 302.345 3.705 0 40 DHAB CC(C)C(NC(=O)C1(c2ccccc2)CCOCC1)C(C)C 225773058 LDXLMDAOCPNOLV-UHFFFAOYSA-N 303.446 3.532 0 40 DHAB Cc1ccc(N)cc1-c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 226301097 QNMNIOHZYUZPQF-CHWSQXEVSA-N 312.413 3.955 0 40 DHAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2cccc(Cl)c2)C1 228915635 SQFGCRGOKQEVRZ-ZDUSSCGKSA-N 323.820 3.709 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)n2)cc1 257173874 ZSDLVIGBWPYXDJ-HUUCEWRRSA-N 324.424 3.615 0 40 DHAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1CCCc1ccccc1 409146420 TZTBGHUKIOWUHN-QINSGFPZSA-N 312.394 3.684 0 40 DHAB CC(=O)Oc1ccccc1-c1csc(Nc2ccccc2)n1 409378167 MZQGASBWPKGENZ-UHFFFAOYSA-N 310.378 4.479 0 40 DHAB O=C(NCc1cncc(C2CC2)c1)c1ccccc1C(F)(F)F 575605847 BVTMPPWCPGNWHI-UHFFFAOYSA-N 320.314 3.908 0 40 DHAB C[C@@H](NC[C@H]1CCSC1)c1nc2ccccc2n1C(F)F 585079621 NNBAZWWVTZYVBS-GHMZBOCLSA-N 311.401 3.835 0 40 DHAB c1coc([C@H](CNc2ncnc3cnccc23)c2ccsc2)c1 1775971233 KZBXORBBOOLFFG-CQSZACIVSA-N 322.393 3.923 0 40 DHAB Cc1nc(Cl)c(C(=O)N2CCC(C)CC2)c(C)c1Cl 95137 ABSBULPCKOUIFO-UHFFFAOYSA-N 301.217 3.877 0 40 DHAB c1ccc(-c2nnc(N3CCCC3)nc2-c2ccccc2)cc1 159570 LEDUPPZTDFQNQU-UHFFFAOYSA-N 302.381 3.806 0 40 DHAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccccc1 387068 QNCRKSFCDKZJQM-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB Cc1cccc(C)c1Nc1cc(=O)n(C)nc1-c1ccccc1 1409987 PLCUUHWSPVFLPM-UHFFFAOYSA-N 305.381 3.808 0 40 DHAB CCN(CCCNc1cc(OC)cc2cccnc12)C(C)C 1656105 LUBNECYPTONMSA-UHFFFAOYSA-N 301.434 3.776 0 40 DHAB O=C1S/C(=C\c2cccs2)C(=O)N1c1ccc(O)cc1 2368067 XHGSYSGXPTZEBG-WQLSENKSSA-N 303.364 3.695 0 40 DHAB COc1ccc(CCNC(=O)CCCCc2cccs2)cc1 2729343 DJMMSCMJIBAICD-UHFFFAOYSA-N 317.454 3.828 0 40 DHAB COc1cccc(CC(=O)Nc2nc3c(C)cccc3s2)c1 3558937 USECXWWCYMALRV-UHFFFAOYSA-N 312.394 3.795 0 40 DHAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(N)=O 4516603 QRTAMDJXMRCVRZ-LBPRGKRZSA-N 324.405 3.975 0 40 DHAB CCCCNC(=O)C1CCN(Cc2cccc3ccccc23)CC1 4680282 IHHFUCNFXHQNHH-UHFFFAOYSA-N 324.468 3.968 0 40 DHAB CCC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 5250095 XVUJHEMGRHNDFC-LLVKDONJSA-N 309.624 3.629 0 40 DHAB Cc1cc(C)c(C(=O)CSc2nc(C(C)C)n[nH]2)cc1C 6060068 BZTQLMZKVBMHFU-UHFFFAOYSA-N 303.431 3.828 0 40 DHAB Cc1ccnc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1 6276366 SUVFLPACVDUERS-LBPRGKRZSA-N 313.401 3.781 0 40 DHAB Cc1ccc(C2=NNC(c3cccnc3)=Nc3ccccc32)cc1 6556719 DBYINPRQLKJWDK-UHFFFAOYSA-N 312.376 3.824 0 40 DHAB COc1ccc(/C=C2/N=C(S)N(c3ccccc3C)C2=O)cc1 6588577 WHNRGAXHGHNXFV-RVDMUPIBSA-N 324.405 3.677 0 40 DHAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 6965701 SEZXZEIICNDHAK-SUNYJGFJSA-N 306.365 3.915 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(Cl)cc1 8041271 LLNYDDVBPPCNIS-OAHLLOKOSA-N 321.779 3.953 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1cncn1-c1ccc(F)cc1 8134867 LPOOANVKURWMIY-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CCc1ccc(S(=O)(=O)N[C@H](c2ccccc2)C(C)C)cc1 8392587 OCHOHCUIQWDMOD-SFHVURJKSA-N 317.454 3.925 0 40 DHAB Cc1ccc2c(c1)CCCN2[C@H](C)C(=O)NCc1cccs1 8533471 WMMMNDHSJJFYTG-CQSZACIVSA-N 314.454 3.514 0 40 DHAB Cc1cc(C)nc(Nc2noc(-c3ccccc3Cl)n2)n1 8559020 SLTAFEYSDKNKHG-UHFFFAOYSA-N 301.737 3.540 0 40 DHAB CSc1nnc(SCc2cn3cc(C)ccc3n2)s1 8709770 BLGUETMCSYWYCI-UHFFFAOYSA-N 308.457 3.508 0 40 DHAB CCc1cccc(NC(=O)c2cnn(-c3ccccn3)c2CC)c1 8715227 SKHSVTKNEQIPSR-UHFFFAOYSA-N 320.396 3.644 0 40 DHAB CCC(CC)(CC(=O)N[C@@H](C)c1cc2ccccc2o1)C(=O)O 10820154 MDMGMVPNLJJFFT-LBPRGKRZSA-N 317.385 3.891 0 40 DHAB Cc1cc(C)c2[nH]c(C(=O)NCCC[C@H]3CCOC3)c(C)c2c1 12204061 RTSGVZISURIDPO-HNNXBMFYSA-N 314.429 3.640 0 40 DHAB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc3c(c1)OCO3)N2 13123875 JLELGLQRUQDDHL-IBGZPJMESA-N 319.364 3.868 0 40 DHAB CCc1nc2sc3c(c2c2n[nH]c(=S)n12)CC[C@H](C)C3 13535018 VIDVXNZCSQTCLW-ZETCQYMHSA-N 304.444 3.689 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=S)Nc2ccccc2)c1 13754962 KGOPOOCPIQCIAI-GFCCVEGCSA-N 316.426 3.751 0 40 DHAB COc1cc(NCc2cccc3[nH]ccc23)cc(OC)c1OC 15423557 KJERBRJXINBPRO-UHFFFAOYSA-N 312.369 3.806 0 40 DHAB Cc1ccc2nc(C(=O)Nc3nc4ccccc4s3)cn2c1 20730343 QEIYFZXPRCPWJW-UHFFFAOYSA-N 308.366 3.505 0 40 DHAB CCC[C@@H](NC(=O)[C@@H](C)Sc1ncccn1)c1ccccc1 21174252 UUNZHLLBYHWZLV-UKRRQHHQSA-N 315.442 3.615 0 40 DHAB O=C(CCSc1ccccc1)NCCOc1ccc(F)cc1 23142420 GPMVMGCKKIYMMN-UHFFFAOYSA-N 319.401 3.503 0 40 DHAB Cc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 32779523 MUNGABRXYJBQKZ-LJQANCHMSA-N 323.440 3.954 0 40 DHAB COc1ccc([C@H](O)c2ccc(Br)cc2)c(OC)c1 40243315 SGLPPTHLVWQNJZ-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB CSc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1 44921867 RZTBFTIAAGTQHP-ZDUSSCGKSA-N 305.428 3.566 0 40 DHAB Cc1ccc(NC(=O)NCCCCN2CCC[C@@H](C)C2)c(C)c1 45950354 DVBGIHOQNNXRLR-MRXNPFEDSA-N 317.477 3.937 0 40 DHAB CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1Cl 48278713 DPLMJWGPVDJUFP-WCQYABFASA-N 301.839 3.587 0 40 DHAB O=C(NCCSCc1ccccc1F)NC1CCCCC1 48342951 BOAXNXNRHROCOG-UHFFFAOYSA-N 310.438 3.691 0 40 DHAB CCN(CC)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 55275835 MYSKHUNCVUURNZ-UHFFFAOYSA-N 315.417 3.661 0 40 DHAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccnc2)CC1 58139992 YUDAECBDRJBHLK-UHFFFAOYSA-N 319.408 3.891 0 40 DHAB Cc1cc(CNc2ccc(C(=O)NC3CCCCC3)cc2)no1 63470029 YVIQMBGSJOZZRG-UHFFFAOYSA-N 313.401 3.658 0 40 DHAB Fc1ccc(-c2nnc(Cc3nc(-c4ccccc4)no3)o2)cc1 65185362 WMUHDTCLMGPCFU-UHFFFAOYSA-N 322.299 3.517 0 40 DHAB CC(C)(C)n1cc(NC(=O)c2cccc(-n3cccc3)c2)cn1 65923984 JGPLOHMRIXQKCK-UHFFFAOYSA-N 308.385 3.681 0 40 DHAB OC1=Nc2ccsc2[C@@H](c2ccc3c(c2)OCO3)SC1 71281531 AIBUDOXMQZOGAR-CYBMUJFWSA-N 305.380 3.901 0 40 DHAB O=C(Nc1c(F)cccc1Oc1ccccc1)[C@@H]1CCCO1 71884426 VXSWGCHFCIVYIY-HNNXBMFYSA-N 301.317 3.736 0 40 DHAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(Cl)nc1 72211483 TVSFMDJJUBOIST-UHFFFAOYSA-N 312.797 3.613 0 40 DHAB O=C(c1ccc(-n2ccnc2)cc1)N1CCCCc2ccccc21 76714137 XKUGZFAEPYMCEX-UHFFFAOYSA-N 317.392 3.855 0 40 DHAB COc1cccc(C[S@@](=O)Cc2ccccc2OC(C)C)c1 78556253 LSRSXCNVUUGEDL-QFIPXVFZSA-N 318.438 3.931 0 40 DHAB Cc1ccc2oc(S[C@@H](C)C(=O)Nc3cc(C)no3)nc2c1 79102472 DAIHBGZGOUZCFR-JTQLQIEISA-N 317.370 3.552 0 40 DHAB Cc1ncsc1CNC[C@H]1CCCn2cc(C(C)(C)C)nc21 84066526 LBQUWODDPPEOQB-CYBMUJFWSA-N 318.490 3.613 0 40 DHAB Fc1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1F 84341291 OEZFDPSUVBMWBQ-CYBMUJFWSA-N 319.355 3.605 0 40 DHAB O=c1cc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)occ1O 84594638 SWIUCNMUCCWIJS-KRWDZBQOSA-N 324.380 3.554 0 40 DHAB CCN(Cc1nc(O)c2oc3ccccc3c2n1)C1CCCC1 84774807 YIDDMFIOMJKUMS-UHFFFAOYSA-N 311.385 3.846 0 40 DHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H]1C=CCCC1 95411740 QRPGAAIEJXOPSV-CQSZACIVSA-N 324.384 3.808 0 40 DHAB CC(C)c1sc(Cl)nc1C(=O)N[C@H]1CCOC(C)(C)C1 95480240 QJGGHGZGWAKKTM-VIFPVBQESA-N 316.854 3.607 0 40 DHAB COc1cc([C@H](C)N[C@H](C)[C@@H]2CCCO2)ccc1OC(F)F 95967291 BYZNMDOTPVDFBT-LOWVWBTDSA-N 315.360 3.515 0 40 DHAB CC(C)COC1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 96159313 SSMVDAIDERODRC-UHFFFAOYSA-N 319.420 3.883 0 40 DHAB CC[C@H](C)n1nccc1NC(=O)Cc1cc(-c2ccccc2)on1 96411992 MVZGOZIBSQWZSA-ZDUSSCGKSA-N 324.384 3.690 0 40 DHAB CSc1ccccc1NC(=O)Nc1cnn(CC(F)F)c1 96444531 WYWCIVHXKXEXNV-UHFFFAOYSA-N 312.345 3.514 0 40 DHAB Fc1ccc2nc(COc3nnc(-c4ccccc4)o3)oc2c1 96465935 WKJNYLZGBIJKAA-UHFFFAOYSA-N 311.272 3.596 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100799294 JYMVMKPGYLWTLT-BCBCSNLJSA-N 313.397 3.662 0 40 DHAB COc1cc(OC)cc([C@H]2OC3=Nc4ccccc4NC3=C2O)c1 104240499 AZPZSQWVSNMPRW-QGZVFWFLSA-N 324.336 3.700 0 40 DHAB COC(=O)c1cc(C(F)(F)C(F)(F)F)c2ncccc2c1 169805890 RSRXMLWSQKKZIC-UHFFFAOYSA-N 305.202 3.676 0 40 DHAB CCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 216431591 RQONSHSKDFLDEV-UHFFFAOYSA-N 319.426 3.947 0 40 DHAB COC(=O)c1cccn1-c1ccc(Br)c(Cl)c1 223730662 NATWIBNOSGQYCI-UHFFFAOYSA-N 314.566 3.680 0 40 DHAB CCCc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1 225194412 RALNCIZWJOKZHQ-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB CC(C)[C@H](C)NC(=O)c1ccc(CN2CCCCCC2)cc1 225222687 UEZREFWQDOYHMG-INIZCTEOSA-N 302.462 3.837 0 40 DHAB O=C(/C=C/c1ccco1)NCc1ccnc(-c2ccsc2)c1 225754137 ZEICXFHEFYPNOA-ONEGZZNKSA-N 310.378 3.733 0 40 DHAB Cc1ccc(CNC(=O)c2snnc2-c2cccs2)cc1 225787117 ZUJWDIBJIHKYNJ-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB CCC[C@@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225809454 FBRIEUPSDVPCCL-LLVKDONJSA-N 321.808 3.627 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](CCc3ccccc3)[C@H]1[C@H]2C 245380379 XWHWCKHMKQSYBV-KRFUXDQASA-N 300.442 3.845 0 40 DHAB O[C@@H]1[C@@H](NC2CCCC2)CCC[C@H]1Oc1cccc(Cl)c1 585288801 JKXOIJVXXUWFMU-GVDBMIGSSA-N 309.837 3.533 0 40 DHAB C[C@@]1(C(=O)N2CCC3(CCCN3CC3CC3)CC2)CC=CCC1 1142542946 ZXMAXSINDSALGH-LJQANCHMSA-N 316.489 3.600 0 40 DHAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)O 552618 SVJIFKVIILWEGE-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB O=C(O[C@H]1C[C@H]2CC[C@@H]1C2)c1cc2cc(Cl)ccc2oc1=O 1002733 WFNNBYMHFRVTAR-WMFXKJRFSA-N 318.756 3.792 0 40 DHAB COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1O 1117302 KTOAGBIQQPGNIR-WBHUJUFNSA-N 304.386 3.772 0 40 DHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCC(C)CC1 2694414 ZGDNITHMLAZCBL-IAGOWNOFSA-N 305.462 3.672 0 40 DHAB CCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 2721494 DPDUZJHNKHAGIY-UHFFFAOYSA-N 315.461 3.931 0 40 DHAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1 3254160 GRFYNUQPYYLWMT-UHFFFAOYSA-N 317.395 3.676 0 40 DHAB C[C@@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(N)=O 5263335 FKFMGJKZYSTHBL-CYBMUJFWSA-N 323.421 3.505 0 40 DHAB CCOc1ccc(NC(=S)NCc2ccc(C)cc2)cc1 6334417 HBBJPIUKXSDYHK-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C(=O)NC2CCCCCCC2)c1C 6945397 USWLLUWMRPGHJK-UHFFFAOYSA-N 320.433 3.651 0 40 DHAB CC(=O)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 7608384 DJYAPKMUPWRQOJ-UHFFFAOYSA-N 305.280 3.743 0 40 DHAB Cc1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(C)s1 7985414 VGWUKUMQOHDDMG-UHFFFAOYSA-N 314.362 3.999 0 40 DHAB COc1ccc(CN[C@@H](C)c2ccccc2)c(OC)c1OC 8534258 SJXKXZOMERWMTI-ZDUSSCGKSA-N 301.386 3.563 0 40 DHAB Cc1cc(C(=O)Nc2nc3c(C(C)C)cccc3s2)no1 9205061 KGJHTWZFHKQWDY-UHFFFAOYSA-N 301.371 3.968 0 40 DHAB CCCCNc1ncnc2c1c(C)c(C)n2Cc1ccccn1 9422200 OQKAMORUKNGCEO-UHFFFAOYSA-N 309.417 3.703 0 40 DHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCc2sccc2C1 10341154 FNQDPFPWNZZDGZ-LLVKDONJSA-N 320.845 3.787 0 40 DHAB O=C(C[C@H]1C=CCC1)Nc1cccc(NC(=O)c2ccco2)c1 11361227 PMFOLQLPTWZHFR-ZDUSSCGKSA-N 310.353 3.827 0 40 DHAB O=C(O)c1ccc(-c2cccc(Br)c2)nc1Cl 12357250 HBYJOSFOWXILKQ-UHFFFAOYSA-N 312.550 3.863 0 40 DHAB COc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1F 12915496 DXCLAGLGBBVBOK-QGZVFWFLSA-N 313.372 3.984 0 40 DHAB Cc1cc(C)cc(C(=O)NCc2ccc(OC(F)F)cc2)c1 14229971 TUAOIARDKQNMSN-UHFFFAOYSA-N 305.324 3.835 0 40 DHAB C/C=C/c1ccc(OCC(=O)N(C)c2ccccc2)c(OC)c1 15348793 NYBVPKPJCKWCSY-XBXARRHUSA-N 311.381 3.770 0 40 DHAB Fc1cc2c(c(CN3CCC[C@H]4CCCC[C@@H]43)c1)OCOC2 16047105 FWDWJYVLLCCLDI-DYVFJYSZSA-N 305.393 3.847 0 40 DHAB COc1ccccc1CNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 16227313 SGIJDGOUBUOBKR-PMENNHOYSA-N 311.381 3.741 0 40 DHAB Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)c(Cl)c1 20221039 SNIZEBYBJPCHFN-UHFFFAOYSA-N 300.667 3.592 0 40 DHAB COc1cc(CNCCc2ccccc2)cc(Cl)c1OC 22074382 XYAQTSSZIHFWBZ-UHFFFAOYSA-N 305.805 3.690 0 40 DHAB Cc1cc(CN(C)c2ncnc3sc4c(c23)CCCC4)no1 23185360 RAEYSXRZACHWHT-UHFFFAOYSA-N 314.414 3.503 0 40 DHAB CC(C)(C)CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 24976636 JGXJDIYQCJGMBO-UHFFFAOYSA-N 322.880 3.857 0 40 DHAB COc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1csc(C)n1 25330930 WAUPWVRTQODTFZ-BZYZDCJZSA-N 316.426 3.693 0 40 DHAB Cc1cccc2c1N[C@@H](c1ccccc1Br)NC2=O 28923571 RXEVOSSEZKWEOT-CQSZACIVSA-N 317.186 3.612 0 40 DHAB CSc1ccc([C@@H](C)NC(=O)Cc2ccccc2F)cc1 31694270 SINNHLHASNTYIA-GFCCVEGCSA-N 303.402 3.968 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 32657922 RFIWJWSRACHZON-CQSZACIVSA-N 317.816 3.604 0 40 DHAB COc1ccccc1CNC(=O)c1sc(C(C)C)nc1C 32924070 AZBIVUSCDJYEJI-UHFFFAOYSA-N 304.415 3.514 0 40 DHAB Nc1ncnc2[nH]cc(-c3ccc(Oc4ccccc4)cc3)c12 38540133 NFSWHYRUVWRUDN-UHFFFAOYSA-N 302.337 3.999 0 40 DHAB CCN(CC)CCN(CC(C)C)C(=O)Nc1cccc(C)c1 40091434 MQBVRGRQTIPCEO-UHFFFAOYSA-N 305.466 3.827 0 40 DHAB CCCCOc1ccc(C(=O)NC[C@H]2Cc3ccccc32)cc1 40148968 GJOJQSHZYTVDLI-QGZVFWFLSA-N 309.409 3.935 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 40540599 PXJLHHSUDAQXBW-LBPRGKRZSA-N 305.378 3.519 0 40 DHAB CC[C@@H](C)c1noc(C2CCN(C(=O)c3cccs3)CC2)n1 41122042 WIWLNNNYPNRYDJ-LLVKDONJSA-N 319.430 3.664 0 40 DHAB CCCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 48020406 HNYYUHRAROFXIY-CYBMUJFWSA-N 304.390 3.517 0 40 DHAB CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccncc2)c(F)c1 52267694 UQOUQMJBHGONDC-LBPRGKRZSA-N 317.364 3.891 0 40 DHAB C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1cccc(F)c1 57497055 NZQFHPMESZKRRR-SECBINFHSA-N 320.414 3.987 0 40 DHAB CN(C)CCCN(Cc1ccc2ncccc2c1)Cc1ccco1 57810856 KAFWOEXLMWDXTQ-UHFFFAOYSA-N 323.440 3.782 0 40 DHAB COc1cccc(NC(=S)N2CCC(n3cccc3)CC2)c1 58468403 VPNKRGHBVNSWEL-UHFFFAOYSA-N 315.442 3.531 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)[C@H]2CCCc3ccccc32)on1 71820959 GZAZGWAIKFOWGV-DLBZAZTESA-N 310.397 3.767 0 40 DHAB Cc1cnn(C[C@H]2CCCN2Cc2coc(-c3ccccc3)n2)c1 71875821 ZXLKDPGTJCLSOI-GOSISDBHSA-N 322.412 3.511 0 40 DHAB CCC(C)(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 71908762 PSAXNNCDJKAVTL-LJQANCHMSA-N 301.839 3.593 0 40 DHAB O=C(CCc1cc(Cl)cs1)Nc1ccc2cn[nH]c2c1 76561963 LFPQINFSTLVCCJ-UHFFFAOYSA-N 305.790 3.849 0 40 DHAB Cc1cccc(C(C)(C)CNC(=O)[C@H](C)N2CCCCCC2)c1 78714951 BZTSPLXPXJFJHW-KRWDZBQOSA-N 316.489 3.653 0 40 DHAB O=C(NC1(c2ccccc2)CCC1)C1=NO[C@@H](c2ccccc2)C1 84525309 CNOHSMIBWUOIHF-GOSISDBHSA-N 320.392 3.700 0 40 DHAB O=C(CCCc1ccccn1)NCc1ccc(C(F)(F)F)cc1 89883660 VPBJSMCQSVXHBH-UHFFFAOYSA-N 322.330 3.740 0 40 DHAB CC[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1CC)c1ccccc1 89948727 VIWZZVRNMLIZDL-MNEFBYGVSA-N 314.473 3.764 0 40 DHAB C[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)c1cnn(C)c1 95435699 LBPSEFQGQWSILN-SECBINFHSA-N 317.742 3.943 0 40 DHAB Cc1ccc(-c2nc(C(=O)N[C@H](C)c3ccccc3)no2)cc1 96105660 BKWDIXYLJGYAQT-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB O=C(NCc1nccs1)C1(c2cccs2)CCCCC1 96414285 PHYNTGUQJMYOQA-UHFFFAOYSA-N 306.456 3.723 0 40 DHAB CC(C)c1nnc(NC(=O)c2cc(Cl)c(Cl)[nH]2)s1 97101192 FFCWYLNBZOXJLQ-UHFFFAOYSA-N 305.190 3.549 0 40 DHAB Cc1ccc(C(=O)CN(C2=NCCS2)c2ccccc2)cc1 98026900 NYBLFSUJOUPCKJ-UHFFFAOYSA-N 310.422 3.787 0 40 DHAB CN[C@H](C)C1=C(P(c2ccccc2)c2ccccc2)CC=C1 100031916 QFWQHJCDPDYYJS-MRXNPFEDSA-N 307.377 3.941 0 40 DHAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(CC)c2)cc1 113971431 DQGNXVJNHGRQPO-UHFFFAOYSA-N 319.426 3.621 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 170387666 FFINUKKXZOELDM-CJNGLKHVSA-N 316.445 3.618 0 40 DHAB O=C(c1cccc(Cl)c1)N(Cc1ccco1)C1CCOCC1 206671956 FSTLGNSYDKDXQJ-UHFFFAOYSA-N 319.788 3.754 0 40 DHAB CCc1ccc(OCCNC(=O)Cc2cc(C)ccc2C)cc1 224392198 VTKRZVJXCKJUCR-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB O=C(NCc1cccc2ccccc12)Nc1ccn2nccc2c1 225596026 ZDDRUAOQDACCKY-UHFFFAOYSA-N 316.364 3.809 0 40 DHAB Cn1cc(CNCc2ccc(F)s2)c(-c2ccccc2)n1 256049856 BTCJHPTVGIARDV-UHFFFAOYSA-N 301.390 3.578 0 40 DHAB Cn1c(Sc2ccccn2)nnc1-c1ccc(Cl)cc1 409100290 UXSDUWSDIWIQBO-UHFFFAOYSA-N 302.790 3.682 0 40 DHAB CC(C)c1cc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)n[nH]1 524732308 JFJOFCUPZPDKDG-OAHLLOKOSA-N 322.412 3.822 0 40 DHAB Cc1nc2ccccn2c1CN[C@H]1CCOC2(CCCCC2)C1 538425761 ADWLJRIIYRXFAR-INIZCTEOSA-N 313.445 3.614 0 40 DHAB CCCCc1nc(C)cc(N2CCC3(CCOCC3)CC2)n1 585082546 GWWZORTXHLBYBG-UHFFFAOYSA-N 303.450 3.525 0 40 DHAB CN(Cc1ccncc1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 585115992 CVXBRTQFCBLDLW-UHFFFAOYSA-N 320.318 3.609 0 40 DHAB CC1(C)CC[C@H]2CN(C(=O)Cc3ccc(F)cc3)CC[C@@]2(C)O1 585286118 NZMRNJRZZLGDGS-HNAYVOBHSA-N 319.420 3.564 0 40 DHAB CC(C)(C)c1cccc(-c2[nH]c(C=O)nc2Br)c1 1857794755 JLILRRBSGQDXHD-UHFFFAOYSA-N 307.191 3.949 0 40 DHAB Cc1noc([C@H]2CCC3(CCN(CC4CCCCC4)CC3)O2)n1 2055759426 YPOIYSOYVWFIEG-MRXNPFEDSA-N 319.449 3.644 0 40 DHAB O=C(CSc1cccc2cccnc12)N1CCCCCC1 386115 VEQISQFCWHSIPY-UHFFFAOYSA-N 300.427 3.730 0 40 DHAB Cc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cccc(C)c21 547353 GVYWGZGIXHEQKM-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB CCOc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 1390586 MEKMTVKZNBSSNC-UHFFFAOYSA-N 310.275 3.751 0 40 DHAB CCC(CC)NCCCNc1cc(OC)cc2cccnc12 1687524 QMRJGRKVDMHYJG-UHFFFAOYSA-N 301.434 3.824 0 40 DHAB O=C(O)[C@@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)O 1731613 ZQKNZDZRSDGSBU-QZTJIDSGSA-N 322.360 3.793 0 40 DHAB Cc1cccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 2123615 NVJRIWMJHIBWSO-UHFFFAOYSA-N 307.349 3.766 0 40 DHAB biogenic C[C@H]1CCc2sc3ncn4nc(-c5ccncc5)nc4c3c2C1 2350607 OJZYDSSZHBJCSO-JTQLQIEISA-N 321.409 3.526 0 40 DHAB COCCCn1c(-c2cccs2)nc2nc3ccccc3nc21 2404167 NRDZVCCEUMHWPU-UHFFFAOYSA-N 324.409 3.745 0 40 DHAB C[C@H](Sc1nnc(N)s1)C(=O)c1ccc(C(C)(C)C)cc1 2623204 XFPGNKIHPOBLFA-VIFPVBQESA-N 321.471 3.781 0 40 DHAB Cc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C)c(C)c1 2713225 KLFSYZPKNJYTKE-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB COc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1O 3335254 YCSZRYCZCWVAQF-WUXMJOGZSA-N 301.729 3.547 0 40 DHAB Cn1cc(SCC(=O)NCCc2ccccc2)c2ccccc21 4060494 IWTLQXATCSVELO-UHFFFAOYSA-N 324.449 3.629 0 40 DHAB CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5373784 SUBUOKBRPIQNAZ-UHFFFAOYSA-N 314.429 3.751 0 40 DHAB O=C(OC[C@H]1CCCN2CCCC[C@H]12)c1ccc(Cl)cc1 6535416 YIYUGJLYGWSLLU-GDBMZVCRSA-N 307.821 3.761 0 40 DHAB biogenic Nc1nnc(SCCSc2ccc(Cl)cc2)s1 7007709 DNCDZYCZOUAHCJ-UHFFFAOYSA-N 303.865 3.658 0 40 DHAB CC[C@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(OC)cc1 7037314 XAJBEZHMBSFNPB-SFHVURJKSA-N 313.397 3.514 0 40 DHAB O=C(N[C@@H]1CCSc2ccccc21)c1cnc2ccccc2n1 8076356 YMJCAZDJJCSXEF-CYBMUJFWSA-N 321.405 3.597 0 40 DHAB COc1ccc2nc(SCc3cn4cc(C)ccc4n3)[nH]c2c1 8132101 MCSIEWBEEYROQG-UHFFFAOYSA-N 324.409 3.820 0 40 DHAB CCOc1cc(C(=O)Nc2cc(C)ccn2)ccc1OC(F)F 9157381 UOIFSADPAQRPNW-UHFFFAOYSA-N 322.311 3.642 0 40 DHAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 9912437 BLJYNIAWZKUEJS-RYUDHWBXSA-N 314.351 3.764 0 40 DHAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1O 11639272 KKZPRMZRDZCRAF-UHFFFAOYSA-N 310.378 3.692 0 40 DHAB CC(C)NC(=O)CSCc1csc(-c2ccc(F)cc2)n1 12914895 WLYFCKJGOAXKTB-UHFFFAOYSA-N 324.446 3.707 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 13710725 KXZRBKUKXIOQKG-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB CC(=O)c1cccc(NC(=O)CN(C)[C@@H](C)c2cccs2)c1 14109092 GRGULULOZBYFHY-LBPRGKRZSA-N 316.426 3.582 0 40 DHAB Cc1nc2ncnn2c(Nc2cccc(C(F)(F)F)c2)c1C 15786660 RILNJQIIHBQFGK-UHFFFAOYSA-N 307.279 3.504 0 40 DHAB COCCSc1ncc(-c2ccc(Br)cc2)[nH]1 18339578 YIMGNDSQTNBWKC-UHFFFAOYSA-N 313.220 3.578 0 40 DHAB Cn1ccc([C@@H]2CCCCCN2Cc2ccc(F)c(F)c2)n1 19291065 AUJMVCBYNSJNGP-KRWDZBQOSA-N 305.372 3.816 0 40 DHAB O=c1[nH]c(SCc2cccc(Cl)c2)nc2sccc12 22988795 WZWHLRXVLNLUQU-UHFFFAOYSA-N 308.815 3.930 0 40 DHAB Cc1ccn(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)n1 28241990 HXTKWCPTYQEYIW-OALUTQOASA-N 317.392 3.923 0 40 DHAB Cc1ccc(NCc2ncc(Cl)n2C)c(Br)c1 34937806 DLQLILSMMOYSKR-UHFFFAOYSA-N 314.614 3.757 0 40 DHAB Cc1nn(-c2cccc(Cl)c2)c2nnc(-c3ccccc3)nc12 36377194 PMQHPUINNSCHCP-UHFFFAOYSA-N 321.771 3.839 0 40 DHAB Cc1ccc(Cl)c2sc(NCCCn3ccnc3)nc12 36657645 JZUFNBWMODHDTD-UHFFFAOYSA-N 306.822 3.957 0 40 DHAB O=C(Nc1cccc(Cn2cccn2)c1)N1CCCCCCC1 44266751 JZVSDMOGFBCBCT-UHFFFAOYSA-N 312.417 3.729 0 40 DHAB Cc1nc2ccccc2nc1CSc1nnc(-c2ccc[nH]2)o1 48235070 KDXJUNDAJOPQAG-UHFFFAOYSA-N 323.381 3.609 0 40 DHAB Cc1cc(C)n(-c2ccc(CNCc3ccc(C)s3)cn2)n1 48743089 QVDYHTMHLZPGFB-UHFFFAOYSA-N 312.442 3.544 0 40 DHAB CCc1ccc(CNc2cc(C(=O)N(C)C)ccc2Cl)o1 51723893 TWFHNIFXUPDAND-UHFFFAOYSA-N 306.793 3.809 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 51874080 VTBHDMARMPZYMY-INIZCTEOSA-N 316.788 3.752 0 40 DHAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2ccncc2)cc1 53720493 OJWJTQGHOSAVSF-OAHLLOKOSA-N 309.413 3.708 0 40 DHAB Cc1cccnc1NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 58245966 MOHGNCRWLNBMHB-MRXNPFEDSA-N 313.376 3.768 0 40 DHAB COc1ccc(N(C(=O)c2scnc2C)[C@H](C)C2CC2)cc1 58266766 YKMZFTOWGQSAMK-GFCCVEGCSA-N 316.426 3.905 0 40 DHAB O=C(CCN1CCC[C@H]1CC1CCCCC1)N1CCCCC1 60892722 JMFMUFNYVMHNBH-SFHVURJKSA-N 306.494 3.824 0 40 DHAB Oc1cc(-c2cccnc2)cc2c1OCCN(C1CCCC1)C2 67675800 IWMIATSKPVASTC-UHFFFAOYSA-N 310.397 3.591 0 40 DHAB Cc1nc(CN2CCC[C@H]2c2ccccc2C(F)(F)F)no1 69621723 PBRHANBBMTYXEM-ZDUSSCGKSA-N 311.307 3.734 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2F)cc1 71760555 JZKGUKPYQZMRFQ-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CCc1cccc(C)c1NC(=O)c1ccc(-n2cncn2)c(C)c1 72300976 ACLWUURNIPPVAS-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB CCc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 72331280 YVTDBEKYRYHRLR-UHFFFAOYSA-N 322.452 3.828 0 40 DHAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccccc3)no2)c1 72427552 SQTJQXBOOYSUER-UHFFFAOYSA-N 308.337 3.916 0 40 DHAB CC(C)(C)OCCSCc1nnc(-c2ccccc2F)o1 76068270 LULJSLQZXKLVFO-UHFFFAOYSA-N 310.394 3.924 0 40 DHAB C[C@@H](c1nnc(-c2cccs2)o1)n1ccc(C(F)(F)F)n1 96448237 IPNLTKGHFBAUBU-ZETCQYMHSA-N 314.292 3.623 0 40 DHAB Cc1cc(C)nc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 96453446 UTEGEWFZYUEYIZ-CQSZACIVSA-N 308.385 3.619 0 40 DHAB Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1C(N)=O 96482865 IFISISJQNMHQDQ-UHFFFAOYSA-N 308.303 3.725 0 40 DHAB CC[C@@H](c1ccc(F)cc1F)[S@](=O)Cc1nccn1CC 97013132 UCXHXUMXYDAAPF-QKKBWIMNSA-N 312.385 3.581 0 40 DHAB O=C1CC(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 97032158 KPRGAPWAMNCUDV-KRWDZBQOSA-N 313.784 3.525 0 40 DHAB CCc1cc(C(=O)N(CC2CC2)[C@H](C)c2ccccc2)cc(=O)[nH]1 97047263 UDXZVCDPTRZSEY-CQSZACIVSA-N 324.424 3.551 0 40 DHAB Nc1cc(F)ccc1-c1nc(C2C3CC4CC(C3)CC2C4)n[nH]1 97105496 KXUAOBPAMLBKSE-UHFFFAOYSA-N 312.392 3.733 0 40 DHAB COc1ccc(NC(C)=O)c(NCc2cc(F)ccc2C)c1 187267988 XUPXCUCMOXDISF-UHFFFAOYSA-N 302.349 3.713 0 40 DHAB O=C(CCOCC(F)F)N1C[C@@H]2CCCC[C@@]21c1ccccc1 195579846 IOJBGTLEQDPSNI-MAUKXSAKSA-N 323.383 3.586 0 40 DHAB NC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 216922645 XFKCCJYADGWRNY-UHFFFAOYSA-N 306.152 3.636 0 40 DHAB C[C@H](CNC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 225134650 RZTSIQDYNSGGJT-GFCCVEGCSA-N 305.780 3.942 0 40 DHAB Cc1nc2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2n1C 225893465 UONQPWIVGCVTGE-NSHDSACASA-N 311.360 3.512 0 40 DHAB C[C@@H](O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 226273006 CPVSGSPXQZFWSB-SNVBAGLBSA-N 320.186 3.755 0 40 DHAB Cc1ccc(S[C@H](C)c2nc(Cc3cncn3C)no2)cc1 545135527 PJYDHYGELMORPN-GFCCVEGCSA-N 314.414 3.556 0 40 DHAB C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 585089502 RYXANGVDFJVWLS-YNZJMPHRSA-N 318.779 3.650 0 40 DHAB O=C(C[C@@H]1C=CCC1)NCc1c(C(=O)O)sc2ccccc12 676019309 VHLFPNWTIFNJBV-LLVKDONJSA-N 315.394 3.572 0 40 DHAB O=Cc1ccnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 685936140 GWKYJYQFUPAFSL-UHFFFAOYSA-N 322.208 3.782 0 40 DHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 175940 LULTVVBYZIRMOJ-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB Cc1ccc(S(=O)(=O)N(c2ccccc2C)C(F)F)cc1 307893 RWDJJUBXQZNQCM-UHFFFAOYSA-N 311.353 3.721 0 40 DHAB C[C@@H]1C(=O)O[C@@H](c2ccc(Cl)cc2Cl)C(C)(C)C1=O 351343 XQENWXGXIYCFMK-MADCSZMMSA-N 301.169 3.823 0 40 DHAB Cc1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1 530310 LLIVXTDGJRHFGG-UHFFFAOYSA-N 312.423 3.814 0 40 DHAB CCCCCNC(=O)/C=C/c1ccc(OCC)c(OCC)c1 1780459 FJRJDWNSUZGWFG-ZRDIBKRKSA-N 305.418 3.804 0 40 DHAB COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 2126001 ISVJBPVLDBOBAV-UHFFFAOYSA-N 314.381 3.784 0 40 DHAB biogenic O=c1nc(SCc2ccc(Cl)cc2)c2c([nH]1)CCCC2 4317105 XUWVATPWAXATIU-UHFFFAOYSA-N 306.818 3.594 0 40 DHAB Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(F)cc1 4457526 MBWDTZNLSGZQED-UHFFFAOYSA-N 313.357 3.839 0 40 DHAB CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 4740434 HFTWIVJTFKKGSR-UHFFFAOYSA-N 317.776 3.582 0 40 DHAB COc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)c(C)c2c1 5345888 NKTZTIDMJQLLJY-CYBMUJFWSA-N 308.381 3.976 0 40 DHAB Cc1cccc(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 5440035 WNOOIAOEXLUVRK-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB COc1cccc(CSc2nc3ccc(OC)cc3[nH]2)c1 6289818 MNJKCPCDEKDCID-UHFFFAOYSA-N 300.383 3.872 0 40 DHAB CC[C@H](OC[C@H](O)CN(C)C1CCCCC1)c1ccccc1 6355950 ZYEJBRMTHITMNI-MOPGFXCFSA-N 305.462 3.780 0 40 DHAB O=C(c1ccco1)N(CCc1ccccc1)Cc1ccncc1 6682262 WMWWJQFIDXOAGG-UHFFFAOYSA-N 306.365 3.560 0 40 DHAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Cl)cc1F 6839509 HJCIMOTZDZXOKE-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB COc1ccc(CSc2nnc(-c3ccc[nH]3)o2)cc1F 8344747 TUSLWMDMILRMJB-UHFFFAOYSA-N 305.334 3.505 0 40 DHAB Cc1ccc(NC(=O)CN(C)C(=O)CCC2CCCCC2)cc1 8376095 GYMUEQVYLAFSAG-UHFFFAOYSA-N 316.445 3.752 0 40 DHAB CNCCCNCc1cc(Cl)ccc1OCc1ccccc1 8377008 VENZVVXHHNXAJJ-UHFFFAOYSA-N 318.848 3.618 0 40 DHAB COc1cccc(CSc2nc(-c3ccccc3)cn2N)c1 8392883 VZJXEXRSISACRA-UHFFFAOYSA-N 311.410 3.565 0 40 DHAB C[C@@H]1CCc2sc3ncn4c(-c5ccncc5)nnc4c3c2C1 9303366 AKBDDSSTNOSTJR-SNVBAGLBSA-N 321.409 3.526 0 40 DHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 9445943 ODYDTHMJHNEIEZ-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB Cc1nc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1 9751274 ZUVKWZSGPHLTHB-UHFFFAOYSA-N 316.304 3.911 0 40 DHAB CCOc1ccccc1CSCc1ccc(C(N)=O)cc1 9936731 OTDZLXJRULYQCG-UHFFFAOYSA-N 301.411 3.618 0 40 DHAB CCc1cccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11157099 PPQPBOBXOWXROW-GOSISDBHSA-N 312.388 3.820 0 40 DHAB CCOCCCNc1ncc(-c2ccco2)c(-c2ccco2)n1 12253089 JHDKIESBNSHCBJ-UHFFFAOYSA-N 313.357 3.835 0 40 DHAB O=C(c1ccccc1F)N1CCC[C@H]1c1nc2ccccc2[nH]1 12548010 LGAJTRVUQZXWDG-INIZCTEOSA-N 309.344 3.679 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC1=NN=C(c2c(F)cccc2F)CS1 12797722 PKBYSZPJBMUYBC-MFKMUULPSA-N 323.412 3.940 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccccc1 13758351 VGVPAIMZXLCLBI-NBMJBFSESA-N 319.404 3.869 0 40 DHAB Fc1ccc(OCCCSc2nnc(-c3ccc[nH]3)o2)cc1 14122834 RZGBWZHUEANPRP-UHFFFAOYSA-N 319.361 3.765 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCSCc2ccco2)cc1 14154752 RYSRPBFRYSAUEH-CMDGGOBGSA-N 301.411 3.651 0 40 DHAB COc1ccccc1NC(=O)N[C@@H](C)c1ccccc1OC 18174231 LHTJIYFWYWKCIF-LBPRGKRZSA-N 300.358 3.587 0 40 DHAB COc1cccc(Cn2c([C@@H]3CCCNC3)cc3cccnc32)c1 19565724 UQVXEDOCGSTDLK-QGZVFWFLSA-N 321.424 3.560 0 40 DHAB CN(C)[C@H](CNC(=O)c1cccc2ccccc12)c1cccs1 22687789 MFBBLTFBZUOBAM-QGZVFWFLSA-N 324.449 3.934 0 40 DHAB COc1ccc(C)cc1NC(=O)CN(Cc1ccccc1)C1CC1 25118908 YGAGRZPRJHRUHS-UHFFFAOYSA-N 324.424 3.607 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1N1CCc2ccccc2C1 25798430 MCLUUZRIROTJCL-WMLDXEAASA-N 306.409 3.844 0 40 DHAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1ccccc1 27580704 OTTZSKGLDYXAOQ-INIZCTEOSA-N 314.454 3.705 0 40 DHAB CCN(CC)[C@@H](CNC(=O)c1cccc(C)c1)c1ccccc1 28291875 DNIHMFUCJATLTQ-IBGZPJMESA-N 310.441 3.808 0 40 DHAB Cc1oc(C)c(C(=O)NCc2nc3ccccc3s2)c1C 31099105 YSHZJQNAMKUGSR-UHFFFAOYSA-N 300.383 3.745 0 40 DHAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc2ccccc2[nH]1 32467862 LGUZXVZDTVDCQM-UHFFFAOYSA-N 316.364 3.665 0 40 DHAB CCc1cccc(NC(=O)CSCc2csc(C)n2)c1 32808598 IWPSUQFEEOCQJD-UHFFFAOYSA-N 306.456 3.886 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)Cc3ccccc3F)c2)n1 32817482 RSCVCTUNOQLNHS-UHFFFAOYSA-N 321.355 3.772 0 40 DHAB O=C(O)c1ccccc1SC[C@@H]1CCCN2CCCC[C@H]12 36056949 FUSMGHBUCDVHPC-DZGCQCFKSA-N 305.443 3.741 0 40 DHAB C[C@H]1CCCN(CCNC(=O)c2ccc(-c3ccccc3)cc2)C1 40110338 ZMQBFUQUPRFWIQ-KRWDZBQOSA-N 322.452 3.815 0 40 DHAB CCOc1ncccc1NC(=O)N1CCC[C@@H]1c1ccsc1 40121122 LWWNSQNXJYBXMJ-CQSZACIVSA-N 317.414 3.911 0 40 DHAB Cc1c(C(=O)Nc2cnc3ccccc3c2)oc2c1C(=O)CCC2 41615415 MSPXVWBTULRSSG-UHFFFAOYSA-N 320.348 3.908 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)[C@H](C)n3cccn3)cn2)cc1 44810222 QVVACUCZJNOPOC-AWEZNQCLSA-N 322.368 3.579 0 40 DHAB Cc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)n[nH]2)cc1 44837867 SPYGAHBEJMBLAU-AWEZNQCLSA-N 317.392 3.977 0 40 DHAB COc1ccc([C@H]2CCCCCN2C(=O)NCC2CC2)cc1 45459667 QXPYGGYUUMZNAT-QGZVFWFLSA-N 302.418 3.732 0 40 DHAB CCOc1cccc(NC(=S)NCCc2ccccc2)c1 54971773 XPDCIUMXKXGDQM-UHFFFAOYSA-N 300.427 3.614 0 40 DHAB C[C@@H](SC[C@@H](O)c1ccccc1)C(=O)Nc1cccc(F)c1 58342118 STWGFTSTDPDYIK-MLGOLLRUSA-N 319.401 3.620 0 40 DHAB O=C1NCCCC[C@H]1Sc1nc(-c2ccccc2)cs1 58366690 LXSWLJASPOTWAJ-CYBMUJFWSA-N 304.440 3.571 0 40 DHAB Cc1ccc(OCc2nnc(SC[C@H]3CCCCO3)o2)cc1 65521169 KSGKOPKQHWDWLC-CQSZACIVSA-N 320.414 3.618 0 40 DHAB O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N1CCCCCCC1 65593864 MJVRPGFVGSAJJC-UHFFFAOYSA-N 324.428 3.551 0 40 DHAB Cc1cccc(N2CCN(CC(=O)c3cc(C)ccc3C)CC2)c1 67206400 UIHBYTQVDQWZDQ-UHFFFAOYSA-N 322.452 3.617 0 40 DHAB O[C@@H](CN1CC[C@@H](c2ccccc2)C1)c1ccccc1Cl 69737985 XXXVGSWKBKQDCE-QAPCUYQASA-N 301.817 3.863 0 40 DHAB CC(C)Cc1noc(C2(c3ccc(F)cc3)CCOCC2)n1 69979397 KJYJYCISMDHLPH-UHFFFAOYSA-N 304.365 3.504 0 40 DHAB CCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1nc(C)cs1 72232466 DGNQDWXGIZCQIS-CYBMUJFWSA-N 319.430 3.678 0 40 DHAB CCCN(CC(F)F)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 72304079 WGHPGOZDBNZRRQ-MAUKXSAKSA-N 307.384 3.784 0 40 DHAB O=C(c1ccccc1)c1cccc(NC(=O)c2ccncc2F)c1 78101666 YKTOTINTDZLPSX-UHFFFAOYSA-N 320.323 3.704 0 40 DHAB O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(Cl)nc1 78494704 BITYXRZFYLJLKV-UHFFFAOYSA-N 303.724 3.537 0 40 DHAB O=C(Cc1cccnc1)N[C@@H]1CCc2c1ccc(Cl)c2Cl 79093469 MDXJOIJQHHCXQT-CQSZACIVSA-N 321.207 3.735 0 40 DHAB CN(C(=O)C1CCC1)C1CCN(c2ccc(Cl)cc2)CC1 79336582 TZXLXDAUIRHGEM-UHFFFAOYSA-N 306.837 3.567 0 40 DHAB CN(Cc1ccccc1)C(=O)CCc1cn(C)c2ccccc12 79473328 MVAFINYXEZUQPO-UHFFFAOYSA-N 306.409 3.770 0 40 DHAB CC(C)n1ccc2c(C(=O)N[C@H]3CCOC(C)(C)C3)cccc21 85879846 MSASIJCEHNYKBF-AWEZNQCLSA-N 314.429 3.910 0 40 DHAB biogenic CC(C)(C)OC(=O)n1ccc2c1CCN(Cc1ccccc1)C2 95635424 YMBDJRLDJQKNKQ-UHFFFAOYSA-N 312.413 3.830 0 40 DHAB CNc1cc(-c2ccccc2C)n(C(=O)c2ccc(OC)cc2)n1 96012519 XWARWDZJMVTTSU-UHFFFAOYSA-N 321.380 3.597 0 40 DHAB O=C(Nc1cccc(COCC(F)(F)F)c1)NC1CC=CC1 97014779 DJNRFVCUZAYLOT-UHFFFAOYSA-N 314.307 3.606 0 40 DHAB CC(C)Cc1nnc([C@H](C)[S@](=O)[C@@H](C)c2ccccc2F)o1 97227796 DNSPLNPIRYYBQN-IBILFNBTSA-N 324.421 3.978 0 40 DHAB Cc1cccc2s/c(=N/C(=O)c3ccc(Cl)cc3)n(C)c12 100878759 NFZSJKCGLOITJD-FBMGVBCBSA-N 316.813 3.943 0 40 DHAB CCn1cc(C(=O)Nc2ccccc2C)c(=O)c2ccccc21 408713015 GNWDPGJRXYNLBF-UHFFFAOYSA-N 306.365 3.582 0 40 DHAB Cc1nccn1CC1CN(Cc2ccc(Cl)c(Cl)c2)C1 1889125081 FEABAYNZNXJRQS-UHFFFAOYSA-N 310.228 3.630 0 40 DHAB Cc1ccc(-c2nc(NC(=O)CCCC(=O)O)sc2C)cc1 373304 MUQKRTHMCBARHM-UHFFFAOYSA-N 318.398 3.620 0 40 DHAB CN(C)c1cccc(C(=O)OCc2nc3ccccc3s2)c1 3466880 HJGXPFISNVQAGD-UHFFFAOYSA-N 312.394 3.719 0 40 DHAB C[C@@H](CC(=O)[C@@H]1C(=O)OC[C@H]1c1ccccc1)c1ccccc1 3851698 ZIZBHLLVLZVMNI-UCLAIMLFSA-N 308.377 3.706 0 40 DHAB Cc1nc(S[C@H](C(=O)O)c2ccccc2)nc2ccccc12 4247148 HFSUEOGNDQOATQ-HNNXBMFYSA-N 310.378 3.856 0 40 DHAB COc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1 4597934 AMCDOYQAFPUTSD-UHFFFAOYSA-N 321.130 3.768 0 40 DHAB COc1cccc(CNc2ncc(-c3ccc(F)cc3)n2C)c1 4678653 WJDPPPQPDWKXBB-UHFFFAOYSA-N 311.360 3.847 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)OCc1cn2ccccc2n1 5667287 GASZAHYHUJWQTG-RMKNXTFCSA-N 312.756 3.744 0 40 DHAB CSc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 6127507 YEZKNQNBOYADPK-CYBMUJFWSA-N 301.411 3.665 0 40 DHAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CC1 6277720 LEQUQMPCZHNYNP-UHFFFAOYSA-N 315.394 3.859 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(C)c1 6362064 ZNJMLLXDWJCVOC-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB O=c1oc2ccccc2cc1C1=NO[C@@H](/C=C/c2ccccc2)C1 6863941 ODJROLXVGUVVSN-OFAQMXQXSA-N 317.344 3.999 0 40 DHAB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)c2ccccc21 6949908 AZFMVOOMSLBKAK-NBVRZTHBSA-N 304.393 3.804 0 40 DHAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1O 6958866 GSERXOVMPOWPGA-UHFFFAOYSA-N 313.850 3.852 0 40 DHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1nc2ccccc2[nH]1 6971247 FHGCGHJEUZVLOZ-UHFFFAOYSA-N 305.381 3.623 0 40 DHAB C[C@]1(C(=O)OCc2cc(-c3ccco3)on2)CC1(Cl)Cl 7094208 KFPLCCUHZXSLII-GFCCVEGCSA-N 316.140 3.562 0 40 DHAB CC(C)[C@@H](C(=O)NCc1ccccn1)c1ccc(Cl)cc1 8073120 NBGXLJWFHPUPAX-MRXNPFEDSA-N 302.805 3.791 0 40 DHAB Cc1nc(CSCC(=O)Nc2cccc(C)c2C)cs1 9040235 QSKWSDQAQQFVLO-UHFFFAOYSA-N 306.456 3.940 0 40 DHAB Cc1csc(=O)n1CCSc1nc2ccccc2s1 9154178 YWVYDYXEUPASTM-UHFFFAOYSA-N 308.453 3.620 0 40 DHAB COc1ccccc1OCCNC(=O)Nc1ccccc1Cl 9873970 KOTKMWBUJUITKR-UHFFFAOYSA-N 320.776 3.549 0 40 DHAB CN(C)c1ccc(CCNC(=O)c2c(F)cccc2Cl)cc1 11693607 OCELKSDDHSLVBV-UHFFFAOYSA-N 320.795 3.518 0 40 DHAB Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 12538753 WYPBQMZFHSPKTE-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB COc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1F 12943849 PWTMGGDTQUJGEO-UHFFFAOYSA-N 308.378 3.942 0 40 DHAB O=C(c1ccccn1)N1CCc2sccc2[C@@H]1c1ccccc1 12981006 NPEMXUCFKOYASM-SFHVURJKSA-N 320.417 3.931 0 40 DHAB C[C@@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccccc1Cl 13075442 RYQBKZWLIYAIJP-LBPRGKRZSA-N 320.795 3.938 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3ccc(C)c(F)c3)cc2c1 13561420 HWODVXBCLSWCNW-UHFFFAOYSA-N 312.344 3.596 0 40 DHAB COc1ccc(CNC(=O)c2ccc(COC(C)C)cc2)cc1 14136362 PAINTLAAXPFCJZ-UHFFFAOYSA-N 313.397 3.550 0 40 DHAB Cc1cc(NC(=O)/C=C/c2ccco2)ccc1-c1ccc(CO)o1 20145249 OVVPQHVJNXBZOZ-RMKNXTFCSA-N 323.348 3.992 0 40 DHAB COc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 21524329 YOTDLQZPUHFMJE-UHFFFAOYSA-N 308.337 3.530 0 40 DHAB O=C(c1c[nH]c2ccccc12)N1CCO[C@H](c2ccc(F)cc2)C1 32937801 GGOYCNYKTVPYSU-SFHVURJKSA-N 324.355 3.521 0 40 DHAB C[C@H](c1ccccc1)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 35080292 ZRRQJEOGSURZRN-PVAVHDDUSA-N 316.445 3.689 0 40 DHAB CCCCN1[C@H]2CCC[C@@H]1CC(NC(=O)NC1CCCCC1)C2 35290375 IUTAYGHMDXGUGL-AYHJJNSGSA-N 321.509 3.804 0 40 DHAB CCCCOc1ccc(C(=O)N2CCOC23CCCCC3)cc1 35671122 NVYUMZLTGCBPKD-UHFFFAOYSA-N 317.429 3.998 0 40 DHAB Cc1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)on1 40012262 HCJDXAYPRQHCLL-NSHDSACASA-N 308.790 3.603 0 40 DHAB Cc1cc([C@@H](C)NCc2cnc3[nH]nc(C)c3c2)c(C)s1 48355073 KMLQOSMYZLJILO-SNVBAGLBSA-N 300.431 3.795 0 40 DHAB Cc1cc(C)cc(N(C)C(=O)c2cc(C)nc3onc(C)c23)c1 55898804 UFNJDCMDEWLKKA-UHFFFAOYSA-N 309.369 3.733 0 40 DHAB C[C@H](SCC(=O)NCc1ccccn1)c1ccccc1Cl 69808394 JVHDADOHJXUZKD-LBPRGKRZSA-N 320.845 3.846 0 40 DHAB C[C@H](Sc1nc(-c2cccnc2)n[nH]1)c1ccccc1F 71795741 DCFUPMCDDXRLEB-JTQLQIEISA-N 300.362 3.859 0 40 DHAB Cc1cc(O)ccc1NC(=O)Cc1ccccc1Br 71916750 MTCWXMKHHVWRIZ-UHFFFAOYSA-N 320.186 3.644 0 40 DHAB CSc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72216921 MQXSWGNXMHMIGE-UHFFFAOYSA-N 324.446 3.681 0 40 DHAB C[C@H](Nc1nc(C(F)F)nc2ccccc12)C1CCN(C)CC1 72284378 RPVXTMQJJDARPW-NSHDSACASA-N 320.387 3.710 0 40 DHAB CC(C)(C)OC(=O)N1CCCC[C@H]1CSc1ccccn1 79440876 QZWKWQBIXLBEJQ-ZDUSSCGKSA-N 308.447 3.963 0 40 DHAB Cc1cc(Br)c2cc(C(=O)OC(C)C)ccc2n1 85386563 QOQVALMFQGDEGP-UHFFFAOYSA-N 308.175 3.871 0 40 DHAB CCSc1cccc(NC(=O)NCc2csc(NC)n2)c1 85591316 OTFZZCFRMHWXSN-UHFFFAOYSA-N 322.459 3.619 0 40 DHAB O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)C1CC=CC1 89878955 MANYWUPPMHFWOL-QGZVFWFLSA-N 312.800 3.907 0 40 DHAB CCO[C@H]1C[C@H](Nc2ccc(NC(=O)CC)cc2)C12CCC2 95961154 MTMRVEGUKIDVNP-HOTGVXAUSA-N 302.418 3.795 0 40 DHAB C[C@H](NCc1nc(-c2ccco2)no1)c1c(F)cccc1Cl 95985952 REJDGRZXNIBQLT-VIFPVBQESA-N 321.739 3.973 0 40 DHAB Cc1cccc(NC(=O)C2(C)CCN(Cc3ccccc3)CC2)n1 96013672 GHNUMUNTCGPNED-UHFFFAOYSA-N 323.440 3.631 0 40 DHAB Clc1cccc2c1CCCCN2Cc1nnc(C2CC2)o1 96014168 CSBVXEXBKSLAJW-UHFFFAOYSA-N 303.793 3.943 0 40 DHAB CC(C)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 96403818 GOGCBWLZBDWHGR-UHFFFAOYSA-N 313.835 3.937 0 40 DHAB CC(=O)Nc1cccc(COc2ccccc2NC(=O)C2CC2)c1 96406564 OJTYYEHNYCQEHY-UHFFFAOYSA-N 324.380 3.573 0 40 DHAB C[C@@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)c2ccccc2N1 96424000 SXPLEZZMEPWGKL-ZBFHGGJFSA-N 322.408 3.790 0 40 DHAB c1cc(NCc2cnc(C3CCC3)s2)cc(-n2cnnc2)c1 96482793 DPWWCTNMVFWWAO-UHFFFAOYSA-N 311.414 3.603 0 40 DHAB O=C(O)CCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 97228545 JGWMXNFJEUKOPL-UHFFFAOYSA-N 321.735 3.749 0 40 DHAB CCc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1 224037694 KKJUPVFKOASWNU-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB Cc1cc(C)c(C(=O)NCCCN(C)c2ccccc2)cc1C 225651232 XRGUWEDCJFPWIS-UHFFFAOYSA-N 310.441 3.868 0 40 DHAB O=C(CC1CC1)N1CCC[C@@H](Cc2ccnc3ccncc23)CC1 257212611 CEFJUFKESNUURA-OAHLLOKOSA-N 323.440 3.601 0 40 DHAB CCCn1ccnc1CN1CCC[C@H]1CCc1ccnc(C)c1 257258991 KWJPPPKZBRGREC-SFHVURJKSA-N 312.461 3.594 0 40 DHAB CC(=O)N[C@@H]1C[C@H](c2cc(C)c(O)c(C)c2)O[C@@H]2CCCC[C@@H]12 257291734 QIKDCYHOPVYALQ-BSDSXHPESA-N 317.429 3.534 0 40 DHAB Cc1cc(C)n([C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 408734042 FUMBWKKVZOJQIA-GOSISDBHSA-N 305.381 3.728 0 40 DHAB COc1cccc(C(=O)Nc2cc3c(cc2OC)CCCC3)c1 408927820 RPHPOTDJGGBCNY-UHFFFAOYSA-N 311.381 3.835 0 40 DHAB Cc1ccccc1NC(=O)NCc1nccnc1-c1ccsc1 585406955 QOCMEMHMFVEFDA-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB Cc1nc2cc(NC(=O)c3ncc(F)cc3C)ccc2s1 1889197003 JGCLBFAFTYXFSC-UHFFFAOYSA-N 301.346 3.700 0 40 DHAB Cc1ccc(OC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 143493 YPIXWSSZBDFBHF-UHFFFAOYSA-N 317.772 3.973 0 40 DHAB CC(C)c1nnc(NC(=O)Cc2cccc3ccccc23)s1 149481 OACDSJLQHSLVBN-UHFFFAOYSA-N 311.410 3.996 0 40 DHAB Cc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)c(C)c1 529089 HDEIKBDYOFIJNR-UHFFFAOYSA-N 321.428 3.813 0 40 DHAB Cc1cccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c1 1427559 XHRULPJVXFYKEF-AWEZNQCLSA-N 306.317 3.542 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1[C@@H]1NC=Cc2ccccc21 1577827 AJSRKSMZXNELTH-UXHICEINSA-N 302.377 3.876 0 40 DHAB O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 1614995 ZGHGKWHKDIVTIU-UHFFFAOYSA-N 320.616 3.769 0 40 DHAB COc1ccc2c(CC(=O)NCCC3=CCCCC3)coc2c1 3565614 OAIHIRCFLAXHAA-UHFFFAOYSA-N 313.397 3.991 0 40 DHAB Cc1cc(C)c(C)c(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)c1 4305132 OVTQEYBWPTYCTQ-BQFCYCMXSA-N 305.462 3.614 0 40 DHAB Cc1ccc2c(c1)[C@H](c1ccccc1)[C@@H](N1CCCCC1)C(=O)N2 4889064 QEGHIXFHUNLHMD-VQTJNVASSA-N 320.436 3.934 0 40 DHAB C[C@@]1(O)[C@H]2CCCCCC2=NN1c1nc2ccccc2s1 5274867 JLSCKUNGRJCNBY-MEDUHNTESA-N 301.415 3.761 0 40 DHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)C(Cl)(Cl)Cl 5529422 WDJYMDYAODEKIA-ZETCQYMHSA-N 310.583 3.864 0 40 DHAB C[C@@H]1Cc2ccccc2N1CC(=O)N[C@@H]1CCCc2ccccc21 5898097 LZEPETGAMYUUEE-DNVCBOLYSA-N 320.436 3.631 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC2 7386615 BWOUSXTXYHDTQI-UHFFFAOYSA-N 315.438 3.781 0 40 DHAB COc1ccccc1CNC(=O)CCSCc1ccccc1 7685649 VIWMRGUYZJRNAZ-UHFFFAOYSA-N 315.438 3.635 0 40 DHAB Cc1ccc(CCCNC(=O)c2ccc(F)cc2F)c(C)c1 8062770 OTBAJCGRLZRNMZ-UHFFFAOYSA-N 303.352 3.944 0 40 DHAB Cc1cc(C)c(NC(=O)C[C@H](C(=O)O)c2ccccc2)c(C)c1 8744766 QCRKPSUNOBBBSY-INIZCTEOSA-N 311.381 3.809 0 40 DHAB Cc1cc(C(=O)O)ccc1NC(=O)Cc1ccc(Cl)cc1 8907317 AGZSCQWLMZHLLO-UHFFFAOYSA-N 303.745 3.528 0 40 DHAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccccc3)cnc21 11763286 LGGORRZBHZIEBZ-ZDUSSCGKSA-N 308.385 3.503 0 40 DHAB COC(=O)c1sc2nc(Cc3ccccc3)nc(C)c2c1C 12408853 OUZICHJTXUUYGN-UHFFFAOYSA-N 312.394 3.686 0 40 DHAB C[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 12746311 SQTFIGYMCQPMPV-ZDUSSCGKSA-N 302.805 3.943 0 40 DHAB Cc1ccc(C(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)o1 12868089 FLWJVTNUVQIXHS-CQSZACIVSA-N 300.354 3.941 0 40 DHAB O=C(CSc1ccc(F)cc1F)NCc1ccc(F)cc1 13023371 HOEGESWENNCJTJ-UHFFFAOYSA-N 311.328 3.512 0 40 DHAB CN(C)Cc1ccccc1NC(=O)CCn1ccc2ccccc21 24811700 KRHXUURXDVUJOE-UHFFFAOYSA-N 321.424 3.732 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)c1cc(Cl)c2c(c1)OCCO2 25348822 MCKOWVQVSUSKDT-LLVKDONJSA-N 311.809 3.666 0 40 DHAB C[C@@H](NC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 25987012 MJBJZEYFTIIZHJ-SNVBAGLBSA-N 324.211 3.949 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccccc1Cl 27983401 KJRAUBWUCSKKOL-GFCCVEGCSA-N 301.773 3.697 0 40 DHAB CN(Cc1ccccc1)C(=O)NCc1nc2ccccc2s1 29677055 RTZVXGWXOLFNBY-UHFFFAOYSA-N 311.410 3.638 0 40 DHAB Cc1ccc(O)c(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1 31071556 JVVRIDITXZGUTK-UHFFFAOYSA-N 323.314 3.992 0 40 DHAB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)sc1C 32731869 WXFKOVWOZHJJEB-LLVKDONJSA-N 317.410 3.627 0 40 DHAB O=C1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc2N1 33028757 CNMVELCQPXQENL-UHFFFAOYSA-N 324.424 3.578 0 40 DHAB Cn1ccnc1SCCOc1c(Cl)cccc1Cl 40013441 BTKMJSUCLIWPIQ-UHFFFAOYSA-N 303.214 3.898 0 40 DHAB O=C(NCc1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 40105151 VBMYUVKZGPBVQG-UHFFFAOYSA-N 317.348 3.549 0 40 DHAB Cc1noc(C)c1CC(=O)N(C)Cc1ccc(C(C)C)cc1 44868157 TVOGUGOBDVFKGJ-UHFFFAOYSA-N 300.402 3.616 0 40 DHAB COc1ccc(-c2noc(-c3ccc(N)cc3Cl)n2)cc1 48814647 KQUCSXNQCABMFE-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1 54583591 XEXKQQSFZPIIMF-IAQYHMDHSA-N 322.330 3.583 0 40 DHAB CC(C)CCc1noc(C[S@@](=O)c2cccc(Cl)c2)n1 69508551 OHWRKDWCBMFUNP-FQEVSTJZSA-N 312.822 3.619 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1cccc(F)c1F 69535773 SNXNKNMYUDBCTF-RISCZKNCSA-N 313.413 3.893 0 40 DHAB CC(C)(C)C(=O)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 70007411 TULSWOITZBIWMO-UHFFFAOYSA-N 323.352 3.750 0 40 DHAB CC[C@@H](C)c1nnc(C2(c3ccccc3OC)CCOCC2)o1 71889950 OARNZICXCMPBHM-CYBMUJFWSA-N 316.401 3.688 0 40 DHAB C[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(F)(F)F 72305084 BXKXXFOOZJDZGI-ZCFIWIBFSA-N 307.318 3.979 0 40 DHAB COc1cccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)oc12 73873631 CGVIVXHSDABASR-UHFFFAOYSA-N 324.336 3.652 0 40 DHAB C[C@@H]1CCN(C(=O)Cc2ccon2)c2cc(Cl)ccc2S1 74806144 RRWSOULQEUJTCY-SNVBAGLBSA-N 322.817 3.788 0 40 DHAB C[C@@H](c1ccco1)N(C(=O)N[C@H](C)c1nccs1)C1CC1 86394520 HTPDDXRUAUKENO-MNOVXSKESA-N 305.403 3.732 0 40 DHAB Clc1cnc(Br)c(Cl)c1Br 95101168 IQGMORFMQUWSFW-UHFFFAOYSA-N 305.784 3.913 0 40 DHAB COc1ccc2cc(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)ccc2c1 95634431 FHBOBYTUBMBGEJ-IRXDYDNUSA-N 312.365 3.922 0 40 DHAB C[C@H](N[C@@H](C)c1ccc(F)cc1OC(F)F)c1cnn(C)c1 95968475 QAYODACGUWAQHY-UWVGGRQHSA-N 313.323 3.572 0 40 DHAB O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(O)cc1F 95992998 DNVOVOIQQUJAEU-OAHLLOKOSA-N 305.736 3.602 0 40 DHAB O=C(/C=C/c1ccccc1)NCC[C@H](O)c1cc2ccccc2o1 96097205 AXBMKVQDYAURKF-DVQDXYAYSA-N 321.376 3.686 0 40 DHAB O=C(CCc1ccncc1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 96414503 FGRQBWROHQKZLD-RTBURBONSA-N 308.425 3.542 0 40 DHAB COc1ccccc1Oc1ccc(N[C@@H]2C[C@@H](C)OC2=O)cc1 97212476 GMFHTNNRDDZBPX-IUODEOHRSA-N 313.353 3.603 0 40 DHAB C[C@H](c1cccnc1)N(C)Cc1ccc(Oc2cnccn2)cc1 97375265 KSEISRPOBILHPF-OAHLLOKOSA-N 320.396 3.857 0 40 DHAB CCCOC(=O)N1[C@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 100675811 KPOVWBPVLIZDGP-YUMQZZPRSA-N 317.229 3.657 0 40 DHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)NC(=O)c2ccccc2)C1 102195797 JSVSABNGJXUCAZ-KBXCAEBGSA-N 316.470 3.602 0 40 DHAB O=C(Nc1sccc1-c1nc(C2CC2)no1)c1ccco1 206890892 WOHDPKHKDRDZCH-UHFFFAOYSA-N 301.327 3.521 0 40 DHAB Cc1nc(NC(=S)NCCCc2ccccc2)ccc1Cl 223960995 FLCWZNAFJTYEAV-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB CCCSc1nnc(NC(=O)Cc2ccc(C)cc2)s1 224794387 DGYMXKLSIIVBOF-UHFFFAOYSA-N 307.444 3.530 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225382583 GDYCGAJCFJNFAN-SECBINFHSA-N 314.838 3.602 0 40 DHAB Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)cc1C 225604239 VJJRDTDNXQNCIP-HNNXBMFYSA-N 324.424 3.991 0 40 DHAB COc1cccc(OC)c1CCC(=O)N[C@H](C)c1ccccc1 225993769 GFUXUEGOZJTOBK-CQSZACIVSA-N 313.397 3.514 0 40 DHAB NC(=O)/C=C\c1cccc(OCc2ccc(F)cc2Cl)c1 361634177 CXCXDESSFKGGQU-DAXSKMNVSA-N 305.736 3.557 0 40 DHAB O=C(NCc1ccnc(-c2ccncc2)c1)c1ccccc1Cl 390826676 OLSKRIVURRYENP-UHFFFAOYSA-N 323.783 3.727 0 40 DHAB Cn1cc(-c2ccc(CNC[C@H]3CCc4ccccc43)s2)cn1 509468584 FFMCMBMXRBGGCO-OAHLLOKOSA-N 323.465 3.968 0 40 DHAB Cc1cccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)c1 127421 KZAKGGCXSSMWTF-UHFFFAOYSA-N 313.360 3.756 0 40 DHAB C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccccc1 150369 SOXLMZGSSHBDCB-LLVKDONJSA-N 320.186 3.855 0 40 DHAB CCc1ccc([C@H]2C[C@@H](c3ccccc3F)n3nnnc3N2)cc1 222819 NXGNDKJCZITQPP-SJORKVTESA-N 323.375 3.521 0 40 DHAB C[C@H](NCCCSc1ccccc1)[C@H](O)c1ccc(O)cc1 1565064 KNPDZXNZIJNVNH-KSSFIOAISA-N 317.454 3.586 0 40 DHAB C[C@@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 1598721 JKELYPBAPYPQIK-ZDUSSCGKSA-N 314.341 3.872 0 40 DHAB CCCCOc1ccc(C(=O)NCc2ccccc2)cc1OC 3480503 IAEZAOYVDVHSPF-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1 7308061 KZBYKFUAPZQZEF-AWEZNQCLSA-N 315.438 3.605 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)NCc3ccccn3)ccc2c1 8073225 NLFJNEVWXKYRQE-AWEZNQCLSA-N 320.392 3.663 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCCc2ccccc21 8725634 WFXLGMVGPGYXKI-MRXNPFEDSA-N 319.408 3.689 0 40 DHAB CCOc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 9251000 PPZRSVXSLHATRH-UHFFFAOYSA-N 302.399 3.673 0 40 DHAB C[C@H](NC(=O)CSc1ccccc1)c1nc2ccccc2[nH]1 9883163 ROWKGRDOYFRLKH-LBPRGKRZSA-N 311.410 3.532 0 40 DHAB COC(=O)c1cccc(NC(=O)CCSc2ccccc2)c1 10295415 LMTNPZUYNFMYHT-UHFFFAOYSA-N 315.394 3.594 0 40 DHAB CSCC[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1 12476551 UPCVEELDZLUONI-HNNXBMFYSA-N 317.458 3.664 0 40 DHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2S1 14047537 BCLBHAUOISILGC-INIZCTEOSA-N 317.841 3.716 0 40 DHAB Cc1cc(O[C@H](C)C(=O)NCc2ccco2)cc(C)c1Cl 14398472 DYPVKWVHJUMJLW-GFCCVEGCSA-N 307.777 3.634 0 40 DHAB Cc1nn(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12 16266381 JJSBEIKAVVFWFX-UHFFFAOYSA-N 322.755 3.630 0 40 DHAB CCCCCCNC(=O)N1CCN(c2ccccc2Cl)CC1 16637969 ZYRZWOQIVTYHTC-UHFFFAOYSA-N 323.868 3.752 0 40 DHAB COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cn1 17296909 NUDPQYDGWPUCMX-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB CCCCc1ccc(NC(=S)N2C[C@H](C)O[C@H](C)C2)cc1 18129508 GPFPKEWXPMCBCY-OKILXGFUSA-N 306.475 3.835 0 40 DHAB C[C@@H]1C(=O)N(C/C=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 21268309 GAQUUOUGJXSBMN-LHRNQBEKSA-N 324.355 3.696 0 40 DHAB COc1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1OC 22006515 TYNWQENQKZPLPV-XJKSGUPXSA-N 303.402 3.881 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)Cc2ccc(Cl)cc2)c1 22480042 HRCQPEUGJZJHLS-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCC[C@@H](C)NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 22512975 RLOTWPNJUFZWDQ-HZPDHXFCSA-N 302.462 3.837 0 40 DHAB COc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1 25314274 QFQLCUIMJDDHBI-MRXNPFEDSA-N 310.397 3.934 0 40 DHAB O=Cc1ccc(OCc2nc(-c3cccc(Cl)c3)no2)cc1 25454024 MFJPIAVJKZKOGY-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB Cc1cccc(NC(=S)N2C(=O)CSc3ccccc32)c1 28527560 NIQLKBJLQRDJNE-UHFFFAOYSA-N 314.435 3.831 0 40 DHAB O=C(NCCC1=CCCCC1)NCc1nc2ccccc2s1 29677512 CPUOYPHSYSGHRG-UHFFFAOYSA-N 315.442 3.986 0 40 DHAB Oc1ccc(Oc2ccc(I)cc2)cc1 39343934 SEUYXXCZJLHQTO-UHFFFAOYSA-N 312.106 3.789 0 40 DHAB COc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)o1 40540131 JQBLCVPRGCBGAG-UHFFFAOYSA-N 323.352 3.672 0 40 DHAB CCCCc1noc([C@@H]2CCCCN2C(=O)c2ccc(C)o2)n1 40714906 PSFKJJWWHBMGQE-ZDUSSCGKSA-N 317.389 3.681 0 40 DHAB COc1cccc(OCC(=O)Nc2ccc(Cl)cc2C)c1 40946502 FFSKVJPAXSFFPD-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB Brc1cc(-c2ccccc2)ccc1O[C@H]1CCNC1 42774759 CLDWEXYLGINHEU-AWEZNQCLSA-N 318.214 3.857 0 40 DHAB O=C(c1cncc(Br)c1)N1CCC[C@@H]1C1CCCC1 44352655 XJFNLLILPDJINK-CQSZACIVSA-N 323.234 3.639 0 40 DHAB COc1ccc(C)c(N/C=C/C(=O)c2ccc3c(c2)OCO3)c1 44842492 JMUTXCSIMGHTPL-BQYQJAHWSA-N 311.337 3.541 0 40 DHAB Cc1n[nH]c2c1[C@H](c1ccc(F)c(F)c1F)SCC(O)=N2 44917454 CCBFGVWCNGPDAL-LBPRGKRZSA-N 313.304 3.560 0 40 DHAB C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 45904111 WCCAFFBLEMVGHR-LLVKDONJSA-N 317.772 3.602 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N(C)[C@@H]1CCc2ccccc21 58426263 GXRHBPQALLZXNW-OAHLLOKOSA-N 318.804 3.715 0 40 DHAB O=C(c1ccco1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 69349467 LOJONMJJVHHNAE-MSOLQXFVSA-N 324.424 3.549 0 40 DHAB CCc1n[nH]c(S[C@@H](C)c2ncc(-c3ccccc3)o2)n1 69975521 BJLFQWAKPKKYEM-JTQLQIEISA-N 300.387 3.875 0 40 DHAB CSc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 71121491 LINHJVDVUSIQGQ-UHFFFAOYSA-N 308.406 3.887 0 40 DHAB O=C(CC[C@@H]1CCCO1)Nc1cccc(Oc2ccncc2)c1 71899784 OTYZFDQHELEBQD-HNNXBMFYSA-N 312.369 3.772 0 40 DHAB C[S@](=O)Cc1cc(NC(=O)CC(C)(C)C)ccc1Cl 71908766 KGDXDIUBEYPDFE-LJQANCHMSA-N 301.839 3.593 0 40 DHAB Cc1cc(-c2cnc(NCc3ccco3)nc2-c2ccco2)on1 72338426 LUGIKQWMZOTFCE-UHFFFAOYSA-N 322.324 3.905 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)COCO2 73155431 PCXRJLBWQFOZKK-UHFFFAOYSA-N 307.708 3.598 0 40 DHAB O=c1[nH]c([C@@H]2CCCS2)nc2cc(C(F)(F)F)ccc12 84452302 WJQIKMRGVRVKPA-JTQLQIEISA-N 300.305 3.510 0 40 DHAB C[C@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1 84647771 HFGYAZRIBYBFQD-AAEUAGOBSA-N 307.800 3.904 0 40 DHAB CCOCCC1(C(=O)Nc2ccc(OC(F)F)cc2)CCC1 84801225 XHKXAJKZVRKIGH-UHFFFAOYSA-N 313.344 3.823 0 40 DHAB C[C@@H]1CCC/C(=C\c2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 85650604 YCVCNRICIFOLCB-RDZUSDMXSA-N 317.820 3.566 0 40 DHAB O=C1C[C@H](CNc2ncccc2C(F)(F)F)c2ccccc2N1 89857728 MZLTUARZPDBOLO-SNVBAGLBSA-N 321.302 3.638 0 40 DHAB CCOc1ccc(N(C)C(=O)CSc2ccc(F)cc2)cc1 89991121 PCTNCSINBHMPKJ-UHFFFAOYSA-N 319.401 3.980 0 40 DHAB Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O 91302992 LRNHBSLYTKNFLA-UHFFFAOYSA-N 315.413 3.850 0 40 DHAB in-vitro Cc1nc(CCN[C@H](C)c2ccc3c(c2)OCCCO3)cs1 95419980 BTFPQLMATXKJPK-GFCCVEGCSA-N 318.442 3.506 0 40 DHAB COCCc1noc([C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)n1 95962320 VAVQWLPMOLJUMH-NEPJUHHUSA-N 313.184 3.836 0 40 DHAB CC(C)c1ocnc1C(=O)OCc1cnc(-c2cccs2)o1 96416254 RKQLBDMNUKEGEE-UHFFFAOYSA-N 318.354 3.872 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NC[C@H]1CCN(C2CC2)C1 96476612 YWNSPUQHHJOWJP-QAPCUYQASA-N 312.457 3.507 0 40 DHAB O=C(Nc1ccc(F)cc1)N1CCOC[C@@H]1c1ccc(F)cc1 96720372 IHEXJVFDLLDTGO-MRXNPFEDSA-N 318.323 3.570 0 40 DHAB NC(=O)c1cccc(Oc2ccc(NCc3ccccn3)cc2)c1 97050921 QICTVDOSWLTQCJ-UHFFFAOYSA-N 319.364 3.585 0 40 DHAB CN1C(=O)[C@H](Cc2cccs2)c2cc(Br)ccc21 101014204 GQCKOIUCWSTREE-GFCCVEGCSA-N 322.227 3.813 0 40 DHAB C1CC2(CO1)[C@H]1[C@H]3CC[C@H]4C5C6[C@@H]([C@H]43)[C@@H]1[C@H]1[C@@H]6[C@@H]3[C@H]5CC[C@H]3[C@H]12 104294472 QUHROFCTPBXVCA-UWNLNEPZSA-N 308.465 3.689 0 40 DHAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C=O)cn1 143999874 FQSYHHPYCOKVMK-UHFFFAOYSA-N 322.361 3.571 0 40 DHAB CCOc1ccccc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 225104165 GFVITBXTYUQTDE-INIZCTEOSA-N 320.772 3.813 0 40 DHAB CCN1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 225827154 JYSHXRVSPPKSSH-UHFFFAOYSA-N 313.319 3.525 0 40 DHAB CCN(CC)c1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 226264922 KPNJHUVHIINOBU-UHFFFAOYSA-N 315.808 3.502 0 40 DHAB CC(=O)N[C@@H]1C[C@H](c2ccc3ncccc3c2)O[C@@H]2CCCC[C@@H]12 257305612 SQTRRUQZMCXRNJ-MTFMMBMASA-N 324.424 3.760 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260801493 ZPPLFXSFRMOTFZ-AGGDQXJMSA-N 313.441 3.638 0 40 DHAB Cc1ccc(C)c(C(=O)NCC[C@@H](CCO)c2ccsc2)c1 575606876 KQKRAHGDPULFMZ-HNNXBMFYSA-N 317.454 3.651 0 40 DHAB Cc1cc(Br)cc(CNC(=O)OC(C)(C)C)c1 584907648 XEAXPJVDUPDTGM-UHFFFAOYSA-N 300.196 3.782 0 40 DHAB C[C@@H]1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)CC1 585121424 OYUUHJLZEITYSE-MRXNPFEDSA-N 323.440 3.956 0 40 DHAB O=C(/C=C/c1ccccc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149117 YTHODYROPRQXJM-AIADIJKESA-N 319.404 3.651 0 40 DHAB CCOc1ccc(C(=O)Cc2cc3ccccc3oc2=O)cc1 216808 RFBKVHKNGILYQV-UHFFFAOYSA-N 308.333 3.617 0 40 DHAB CCC(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 1065863 ICSMRKAGSBPFOC-OAHLLOKOSA-N 322.408 3.613 0 40 DHAB CC1(C)c2cc(Br)ccc2N2CCC(O)=N[C@@]21C 1322397 VURFTIXVCIJNRF-AWEZNQCLSA-N 309.207 3.623 0 40 DHAB biogenic Cc1ccc(C2=NN=C(N3CCCCC3)[C@@H]3C=CC=C[C@H]23)cc1 1465513 LMRZANAIQNLWBF-ZWKOTPCHSA-N 305.425 3.956 0 40 DHAB CCc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1 2626206 JBYKGYAXBSYBJB-UHFFFAOYSA-N 305.377 3.918 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(C(C)(C)C)s1 2734758 XUAFZGXERCZURM-GFCCVEGCSA-N 319.430 3.632 0 40 DHAB Cc1ccc(CN[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 3338312 CJHGXPOGHWPUIO-GFCCVEGCSA-N 320.795 3.904 0 40 DHAB Cc1cccc(OCC(=O)N[C@H]2CCCc3ccccc32)c1C 3454861 QZXMGLVANUIMCT-SFHVURJKSA-N 309.409 3.876 0 40 DHAB Cc1nc(N(C)C)c2sc(=S)n(Cc3ccccc3)c2n1 4686549 WRVFDQPUWBRFAF-UHFFFAOYSA-N 316.455 3.645 0 40 DHAB CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)OC)s2)cc1 4694993 GRRIVRQDFXWMMG-SNVBAGLBSA-N 321.402 3.809 0 40 DHAB Cc1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)no2)cc1 5179557 IUXIOMGJPALFOB-UHFFFAOYSA-N 303.321 3.554 0 40 DHAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C)cc1 6840989 JBUJHEJWWVZYDU-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1F 7126032 IZTCANFQYUBWOH-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB CC(C)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 7209759 HRIWUCKCITURQI-VIFPVBQESA-N 308.472 3.858 0 40 DHAB CCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 7381974 YSHWVYSMKLCUHM-UHFFFAOYSA-N 307.390 3.887 0 40 DHAB C[C@@H]1CCCCN1CC(=O)Nc1ccccc1C(F)(F)F 7486616 MHXDTKJROKZEHM-LLVKDONJSA-N 300.324 3.518 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(C)C 8040949 JYWXZQAZBGNTTF-UHFFFAOYSA-N 323.389 3.759 0 40 DHAB COc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC3)c2c1 8231387 GSJMZDNBOKHTIJ-UHFFFAOYSA-N 318.376 3.756 0 40 DHAB COc1ccc(C2=NN=C(Nc3ccc(F)cc3)SC2)cc1 8704614 UGBCDMAAZJZNOJ-UHFFFAOYSA-N 315.373 3.753 0 40 DHAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN1CCCC[C@H]1C 8717519 VDIXKLWYADCFJZ-CYBMUJFWSA-N 313.445 3.689 0 40 DHAB CCOc1ccc(OCC)c(C(=O)NCc2ccc(F)cc2)c1 8751191 AUJNXOYYXNQMKR-UHFFFAOYSA-N 317.360 3.553 0 40 DHAB O=C(NCc1ccccn1)c1ccc2c(c1)-c1ccccc1C2 9217527 UGUCIVIYMDAVGZ-UHFFFAOYSA-N 300.361 3.583 0 40 DHAB Cc1cccc2cc(-c3nc(-c4ccc(F)cc4)no3)c(=O)oc12 9431229 AFEXNYALPKTQGB-UHFFFAOYSA-N 322.295 3.958 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@@H](O)CNCc2ccccc2)c1 9970623 OETPTNXLMHOFES-SFHVURJKSA-N 313.441 3.648 0 40 DHAB Cc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1-c1cccs1 10338960 FWAJWPSTBGLPKY-UHFFFAOYSA-N 307.378 3.727 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccccc2)cc1-n1cccc1 10433226 VSHCMVAWFVULRW-UHFFFAOYSA-N 320.392 3.595 0 40 DHAB COC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1C 11690126 BOASPAVLIZXLOC-UHFFFAOYSA-N 307.371 3.614 0 40 DHAB O=C(CCCSc1nc2ccccc2[nH]1)NC1CCCCC1 12508100 MXVOGRQRQQCWMZ-UHFFFAOYSA-N 317.458 3.884 0 40 DHAB COc1cccc(CC(=O)N[C@H](C)c2cc3ccccc3o2)c1 12621397 RPDCQWQAAWSYTH-CYBMUJFWSA-N 309.365 3.861 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)Nc2cccnc2Cl)c(C)c1 15497130 CYRRNYBLOJUHHJ-LBPRGKRZSA-N 303.793 3.791 0 40 DHAB Cc1ccc(C(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1 16971111 GTRYFOPGKAJHSF-UHFFFAOYSA-N 323.436 3.782 0 40 DHAB Cc1ccc(NC(=O)NCCc2ccc(OC(F)F)cc2)cc1 18174123 RFDBPKAUUMXXQJ-UHFFFAOYSA-N 320.339 3.961 0 40 DHAB CCc1ccc(CN2CCN([C@H]3CCCC[C@H]3C)CC2)cc1 19359442 IOSGVSNXYJVSHE-XLIONFOSSA-N 300.490 3.945 0 40 DHAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 20450442 QRTFIFKONLVWBX-CQSZACIVSA-N 315.438 3.973 0 40 DHAB COCCCNC(=O)c1ccccc1SCc1cccs1 21896289 HNRTUDDRWSCSEQ-UHFFFAOYSA-N 321.467 3.807 0 40 DHAB O=C(Nc1cnc2ccccc2c1)c1ccc(-n2cccn2)cc1 23353483 DKSKLFUMCWADGW-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)c(C)[nH]1 24575222 WQZXAEWMKSGMSY-SNVBAGLBSA-N 321.218 3.885 0 40 DHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc2cn[nH]c12 25035689 DPIMKNIEEKWCQU-UHFFFAOYSA-N 320.396 3.724 0 40 DHAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 27993966 IVOCSOGRBLKYNH-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB CN(C)c1ncccc1C(=O)Nc1ccc(Cl)cc1Cl 31664623 JWZMGCZFZPJLHI-UHFFFAOYSA-N 310.184 3.707 0 40 DHAB COc1cccc(NC(=O)CCCc2nc3ccccc3o2)c1 31809086 SDZLMEUEFJHPTP-UHFFFAOYSA-N 310.353 3.798 0 40 DHAB Cc1noc(-c2ccc(C(=O)N3CCCc4ccccc43)cc2)n1 40489884 CLGDVTPEKITMRL-UHFFFAOYSA-N 319.364 3.638 0 40 DHAB CC(=O)Nc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 40525475 VKNAVQNXNJPKCQ-UHFFFAOYSA-N 317.776 3.620 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(OC)c1 44900204 MURTXGRGXUKGBG-MRXNPFEDSA-N 303.333 3.630 0 40 DHAB COCCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 48023210 PRPRVCLIHSJVRW-UHFFFAOYSA-N 306.793 3.606 0 40 DHAB O=C(CNc1ccccc1Cl)N(Cc1ccccc1)C1CC1 48303034 NRWHHSUSVBJWEH-UHFFFAOYSA-N 314.816 3.943 0 40 DHAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc(Cl)cc1F 49548425 LDLJMEJLHROZSI-LBPRGKRZSA-N 311.769 3.637 0 40 DHAB O=C(CCC1CCCC1)NC[C@@H](c1cccs1)N1CCCC1 57288282 RYMPBFXVBIFCEW-INIZCTEOSA-N 320.502 3.972 0 40 DHAB c1ccc2nc(NCCNc3cnc4ccccc4n3)ccc2c1 58394144 SECUDYCTQYUIBI-UHFFFAOYSA-N 315.380 3.702 0 40 DHAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)cc1C 58430368 ZEFAZJQJCXHAKN-SFHVURJKSA-N 320.396 3.552 0 40 DHAB CCN(C(=O)c1cc2c(C)nn(CC(C)C)c2s1)C1CC1 65449252 NLPPDWRCEZHKJZ-UHFFFAOYSA-N 305.447 3.687 0 40 DHAB Cc1cc(C(=O)NC[C@@H](O)c2cccc3ccccc23)c(C)o1 70635939 WIQDDVBRIATFRJ-GOSISDBHSA-N 309.365 3.513 0 40 DHAB O=C(COc1ccc(F)cc1Cl)N1CCC[C@@H]1c1ccc[nH]1 71818730 YYQPMYAWLIZBEJ-CQSZACIVSA-N 322.767 3.550 0 40 DHAB CC(C)c1nc([C@H]2CCCN(c3ncnc4ccccc34)C2)no1 72279260 NRQMJPSQYPPPCY-ZDUSSCGKSA-N 323.400 3.520 0 40 DHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2cccs2)cc1 72329178 USGBIJBEBPQPTO-UHFFFAOYSA-N 311.410 3.631 0 40 DHAB Cn1nc(C(=O)O)c2c(-c3ccc(Cl)cc3Cl)ccnc21 72339601 GOWGHLJBKPXAGJ-UHFFFAOYSA-N 322.151 3.640 0 40 DHAB Cc1cc2c(o1)CCc1sc(N(C)C(=O)C3CCCC3)nc1-2 72347041 MSGRBXWJVDZSBT-UHFFFAOYSA-N 316.426 3.963 0 40 DHAB CSc1ccsc1C(=O)NCCCN(C(C)C)C(C)C 74334600 QDNQZPPNRDVFSM-UHFFFAOYSA-N 314.520 3.709 0 40 DHAB O[C@H](CNc1ccc(C(F)(F)F)cn1)c1ccc(F)c(F)c1 75667871 UDZQFTIZHUKHSN-GFCCVEGCSA-N 318.245 3.524 0 40 DHAB COc1ccc(Cl)cc1C[S@](=O)Cc1csc(C)n1 78556134 ZEOJQBXCILXBIO-LJQANCHMSA-N 315.847 3.562 0 40 DHAB C[C@@H](C(=O)NCc1cccc(O)c1)c1ccc2ccccc2c1 84603044 RZKZKKYJXGPNTN-CQSZACIVSA-N 305.377 3.965 0 40 DHAB O=C(OCc1ccccc1)N1CCCC[C@@H]1COC(F)(F)F 91252515 SOAOMTDOARIVIF-CYBMUJFWSA-N 317.307 3.714 0 40 DHAB CCN(C(=O)c1cc(F)c(Cl)nc1Cl)c1cccnc1 96404216 KFNGHHYZNNMBCH-UHFFFAOYSA-N 314.147 3.589 0 40 DHAB CC(C)(C(=O)N1CCC(n2cccc2)CC1)c1cccc(F)c1 96412004 WPUGQQJNDNMKAG-UHFFFAOYSA-N 314.404 3.769 0 40 DHAB O=C(CCc1ccccn1)N[C@@H](c1cc(F)ccc1F)C1CC1 96432677 YORVREVXCTXFAP-GOSISDBHSA-N 316.351 3.560 0 40 DHAB O=C1OC(c2ccccc2F)=N/C1=C/c1cc2ccccc2o1 96935621 ULDRPWYMWAWXPL-XNTDXEJSSA-N 307.280 3.916 0 40 DHAB O=C(CSCc1ccccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100630249 SVRBVAGZOMOUJS-LALPHHSUSA-N 309.862 3.878 0 40 DHAB CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)nn2c1O 102802651 NFFJWMLAHBBYRV-UHFFFAOYSA-N 301.777 3.935 0 40 DHAB O[C@H]1[C@@H]2[C@@H](C(O)(c3ccccc3)c3ccccc3)C[C@H]3[C@H]2CC[C@H]31 102977528 XWSHAONUVZUKOY-QMFSVNIWSA-N 320.432 3.576 0 40 DHAB COC(=O)[C@H]1C[C@@H]2C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104132698 RMGMMNIDJJIAOL-ZFSUVSKUSA-N 324.418 3.650 0 40 DHAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(OC(F)F)c1 109034111 CZNYGZVUIOTWQF-TZQJONAQSA-N 309.356 3.901 0 40 DHAB CCOc1cc(C=O)ccc1OCCCCN1CCCC[C@@H]1C 217798696 MAPWXYHGHNHPJC-INIZCTEOSA-N 319.445 3.931 0 40 DHAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 222729124 RBMYRFAGWQWMGI-SFHVURJKSA-N 322.408 3.695 0 40 DHAB CO[C@@H](CNC(=O)c1ccccc1C)c1cc2ccccc2o1 245180703 ZHIDZXAQEGPOFP-SFHVURJKSA-N 309.365 3.859 0 40 DHAB CC[C@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1 252509892 YXPUPCSYOJCSCG-IBGZPJMESA-N 324.424 3.645 0 40 DHAB COc1cccc(CCNCc2cc(C3CC3)nn2C(C)C)c1 256049460 AAFOAYUBEICIFZ-UHFFFAOYSA-N 313.445 3.682 0 40 DHAB Cc1cnc([C@@H]2CN(Cc3cccc4ccccc34)CCO2)cn1 257206946 BFPQLUQAMVEVPU-FQEVSTJZSA-N 319.408 3.512 0 40 DHAB Cc1cc(CC2CCN(C(=O)c3ccsc3)CC2)ccn1 257283353 OXXULWOCRCKTDV-UHFFFAOYSA-N 300.427 3.546 0 40 DHAB CC(C)(C)c1cn2c3ccccc3nc2n1CCN1CCCC1 274325 DOVYFZDUQSFFSL-UHFFFAOYSA-N 310.445 3.682 0 40 DHAB Cc1ccc(-n2c(C)nnc2SCC(=O)c2ccccc2)cc1 421993 NLWBDVBABIQGLG-UHFFFAOYSA-N 323.421 3.859 0 40 DHAB COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1O 573381 JBPHRNIKVNCWPR-WUXMJOGZSA-N 301.729 3.547 0 40 DHAB CCC(CC)c1nnc(NC(=O)c2ccc(OC)cc2)s1 804644 NBHSGJZFJXTUEU-UHFFFAOYSA-N 305.403 3.703 0 40 DHAB COc1ccc(Cc2nc(C(=O)Nc3ccccc3)cs2)cc1 1384036 NWAXSOCVFBVESY-UHFFFAOYSA-N 324.405 3.995 0 40 DHAB O=C(COc1cccc(Cl)c1)NCc1ccc(Cl)cc1 1749803 VYUOBDNCLVXFBL-UHFFFAOYSA-N 310.180 3.689 0 40 DHAB Cc1sc2ncnc(NCCC(=O)O)c2c1-c1ccccc1 1942460 JUSKDFOQSVLAGD-UHFFFAOYSA-N 313.382 3.553 0 40 DHAB Cc1ccc(N[C@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 3145321 OVVPAAAWRPWALX-HNNXBMFYSA-N 312.394 3.941 0 40 DHAB Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 3296267 RKCXESPCTJVFPB-UHFFFAOYSA-N 305.131 3.545 0 40 DHAB O=C(NCC(F)(F)F)c1ccc(OCc2ccccc2)cc1 3456329 ZDJMNLBSCPQNGV-UHFFFAOYSA-N 309.287 3.558 0 40 DHAB Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1 3998376 WMDCLAKMPAGKHO-UHFFFAOYSA-N 323.381 3.610 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@@H]1[C@H]2C 4026426 XWHWCKHMKQSYBV-GRLGQGAKSA-N 300.442 3.845 0 40 DHAB biogenic Cc1cc2cc(CNC(=O)[C@H](C)Oc3ccccc3)ccc2[nH]1 4138090 VWZNQOTWVAZALM-AWEZNQCLSA-N 308.381 3.560 0 40 DHAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)c1 4225261 OJGQXNFCYNDNNC-HNNXBMFYSA-N 319.408 3.711 0 40 DHAB COc1cc(CNC2CC2)ccc1OCc1ccc(Cl)nc1 5206360 REERWBIMLDKGFA-UHFFFAOYSA-N 318.804 3.575 0 40 DHAB CC(=O)OC1=CCc2ccc3c4c(ccc1c24)C=C[C@@H]3OC(C)=O 5234591 WDIYXXIAMYDYHZ-KRWDZBQOSA-N 320.344 3.931 0 40 DHAB O=C(COC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1 5474951 OXEIVRZWGCYYLU-UHFFFAOYSA-N 312.340 3.744 0 40 DHAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1F 5628012 ICXKCICIDKGKGD-UHFFFAOYSA-N 317.751 3.776 0 40 DHAB CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1 5903790 MGDRVGWHWCKJGY-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 6039231 QGTZCWVTYBCQCX-SNVBAGLBSA-N 322.474 3.737 0 40 DHAB CC(C)c1c(C(=O)NC2CC2)cnn1-c1cccc(Cl)c1 6871804 SPBMGUQAQYOVLE-UHFFFAOYSA-N 303.793 3.541 0 40 DHAB O=C(OCc1ccccc1Cl)c1cncn1-c1ccccc1 8394534 UKBNJPHJKQBDBY-UHFFFAOYSA-N 312.756 3.883 0 40 DHAB Cc1cc(Nc2ccccc2C(=O)O)nc(-c2ccccc2)n1 8702970 BNQKMHMHESKAOC-UHFFFAOYSA-N 305.337 3.894 0 40 DHAB CCOc1ccccc1/C=C1/SC(=O)N(CC(C)C)C1=O 9236588 INPJMLRQSOLPRK-NTEUORMPSA-N 305.399 3.778 0 40 DHAB Cc1ccc(C(=O)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 9453907 VFIIIVHUTTYNRX-UHFFFAOYSA-N 322.389 3.940 0 40 DHAB COc1cc(OC)cc(OCc2ncc(-c3ccccc3)o2)c1 9578529 ZRVLQOLBXWCSDB-UHFFFAOYSA-N 311.337 3.938 0 40 DHAB COc1ccccc1CNC(=O)c1ccccc1SC(F)F 9723489 KRIDAPKNFLXIDD-UHFFFAOYSA-N 323.364 3.940 0 40 DHAB Cc1csc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)n1 10192358 MXJWFQZSCVRBJX-UHFFFAOYSA-N 318.789 3.747 0 40 DHAB Cc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12611812 XDFBVZVAYLIKGF-KRWDZBQOSA-N 305.381 3.849 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)cc1 12933133 OOVSRCPGHGCJAM-KRWDZBQOSA-N 301.411 3.521 0 40 DHAB Cc1ccc(NC(=O)/C=C/c2cc(F)cc3c2OCOC3)cc1 14015451 FZPXHWWIMZOPBI-QPJJXVBHSA-N 313.328 3.653 0 40 DHAB O=C(c1ccoc1)N1CCC(c2nc3ccccc3s2)CC1 14136494 QOEXCMUUKVVHHI-UHFFFAOYSA-N 312.394 3.909 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1ccc(Cc2ccncc2)cc1 15940994 LWZZLWKFOCRSJP-UHFFFAOYSA-N 320.367 3.993 0 40 DHAB CCCOc1ccccc1NC(=O)c1cn2ccc(C)cc2n1 20010662 NZXPZRQXJGVPOI-UHFFFAOYSA-N 309.369 3.684 0 40 DHAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)C(F)(F)F 20137045 ICWHTHQCBVLQST-UHFFFAOYSA-N 319.666 3.593 0 40 DHAB CN(Cc1ccco1)Cc1nnc(-c2ccc(Cl)cc2)o1 23992924 BGGJXDABHLIPPQ-UHFFFAOYSA-N 303.749 3.615 0 40 DHAB O=c1c2sccc2ncn1Cc1cccc(C(F)(F)F)c1 26017829 KCMKMBBRLHRCEC-UHFFFAOYSA-N 310.300 3.525 0 40 DHAB C[C@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 26754556 DZTOLFTWRJJYKS-ZIAGYGMSSA-N 301.361 3.513 0 40 DHAB COc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27992662 BEGORCLNYFNGIP-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB Cc1ccc(-c2csc(CCN3CCCC3=O)n2)c(C)c1 30447727 ANLXDANNBORBGW-UHFFFAOYSA-N 300.427 3.592 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 30750867 JJAGONBALIMJAH-UONOGXRCSA-N 301.361 3.779 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 30750875 JJAGONBALIMJAH-KBPBESRZSA-N 301.361 3.779 0 40 DHAB c1ccc(Cc2noc(CSc3nc4ccccc4[nH]3)n2)cc1 31647235 NGFLEHACTNDBHL-UHFFFAOYSA-N 322.393 3.829 0 40 DHAB COc1cccc(C(=O)N2CCCc3cc(Cl)ccc32)c1 31925535 JGQAXTRKSNCXPR-UHFFFAOYSA-N 301.773 3.942 0 40 DHAB Cc1ccc(N(Cc2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 33653321 BFZKCZKFHVBSAH-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB CCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 33765525 BNJSEQYVHLTOJW-UHFFFAOYSA-N 313.382 3.516 0 40 DHAB O=C1c2cc(Br)ccc2[C@@H]2OCc3ccccc3N12 35326820 YEEZQZSXCKFYCM-HNNXBMFYSA-N 316.154 3.638 0 40 DHAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 35442777 OWUVRGCKAKIFOE-KKUMJFAQSA-N 306.450 3.757 0 40 DHAB biogenic,in-vitro CCc1nc2ccccc2n1CC(=O)N[C@H](C)c1cccs1 36783953 KWDACHFSDZVWGK-GFCCVEGCSA-N 313.426 3.538 0 40 DHAB COc1ccc([C@@H](O)c2ccc(Br)cc2)cc1C 40262272 HOLUPBGZVKLXRJ-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB CN(CC1CC1)C(=O)Cc1csc(-c2ccccc2Cl)n1 40555165 ZNJDKROZKAEDNI-UHFFFAOYSA-N 320.845 3.874 0 40 DHAB CN(Cc1cccs1)C(=O)COc1ccc(F)cc1Cl 41103756 HGRRBYSXZSGLNI-UHFFFAOYSA-N 313.781 3.578 0 40 DHAB O=C(NCc1ccc(Br)cc1)Nc1ccc(F)cc1 44845324 QKIPCAMVGWBJCM-UHFFFAOYSA-N 323.165 3.910 0 40 DHAB Cc1csc(NC(=O)c2csc(NCCC(C)C)n2)n1 44921396 IIGUHGROBAHGQO-UHFFFAOYSA-N 310.448 3.618 0 40 DHAB O=C(Nc1ccc(F)cc1Cl)c1cncn1-c1ccccc1 60553712 GDKRMPQIUKADBR-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(O)c1 63536987 YEOXZCJTPNQOLC-UHFFFAOYSA-N 309.818 3.698 0 40 DHAB CC(C)N(C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 69559726 GCWQBOKMADVUNW-HZPDHXFCSA-N 317.820 3.619 0 40 DHAB CS[C@@H](C)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71840025 WYCXMVWRGBKBNY-LBPRGKRZSA-N 302.443 3.625 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)OC(C)(C)C)c1 72221874 BZEHRTWPJLIWDI-CQSZACIVSA-N 307.390 3.776 0 40 DHAB Fc1cccc(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)c1 72395173 NBGOPWPPPRZBAT-RBUKOAKNSA-N 321.399 3.932 0 40 DHAB Cc1ccc(C)n1C1CCN(C(=O)c2ccc(F)cc2)CC1 74813246 SVKWERBFXMDINH-UHFFFAOYSA-N 300.377 3.721 0 40 DHAB Cc1cc(C)n2c(CN[C@H](C)c3cccc(Cl)c3)cnc2n1 78998799 VWECVNIRQXOJJD-CYBMUJFWSA-N 314.820 3.850 0 40 DHAB Cc1ccc(SC2CCN(C(=O)OC(C)(C)C)CC2)nc1 79440766 FFAUBXQNEWGYCU-UHFFFAOYSA-N 308.447 3.882 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)c1cc2cc(C)c(C)cc2o1 79753482 VPMYXLNMASTCKH-AWEZNQCLSA-N 301.386 3.548 0 40 DHAB Cc1ccc(CCC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)o1 95405755 CISYWUGJWSWHJQ-CHWSQXEVSA-N 303.324 3.758 0 40 DHAB Cc1ccc(NCc2cc(F)c(F)c(F)c2)cc1C(=O)N(C)C 95429325 SCSRNTYPTVOPFQ-UHFFFAOYSA-N 322.330 3.726 0 40 DHAB CCS[C@H]1CC[C@@H](N(C)C[C@H](O)c2ccc(Cl)cc2)C1 95983583 YFYKQIQQWSWSKV-PMPSAXMXSA-N 313.894 3.979 0 40 DHAB COC(=O)C[C@H](C)Sc1nc(C(F)F)nc2ccccc12 96406553 SYGCCGLAESFAPS-QMMMGPOBSA-N 312.341 3.611 0 40 DHAB CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(COC)c2)C1 96466356 RSDPBNOHKNJPHX-HOTGVXAUSA-N 322.474 3.971 0 40 DHAB C[C@H](N[C@H]1CCO[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 97032915 AOYHLFHFBYGRBL-YWVKMMECSA-N 303.233 3.794 0 40 DHAB Cc1cc(F)c(I)cc1Br 97436572 DURJZVCWXPIRMZ-UHFFFAOYSA-N 314.923 3.501 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc2ccccc2c1)C31CC1 100055255 FFCPUXZOBLGGJA-XLAORIBOSA-N 315.372 3.541 0 40 DHAB Clc1nss/c1=N\c1ccc(Br)cc1 100149415 LJAVWPXZZIDCAS-FLIBITNWSA-N 307.625 3.853 0 40 DHAB COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 100751155 DVOPRKZTGKARBK-RTBURBONSA-N 323.436 3.710 0 40 DHAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(-c2cnco2)cc1 107337865 AJBDYZVKAZORJO-JQFCIGGWSA-N 310.397 3.898 0 40 DHAB c1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cs1 107751977 WMUHCITWGNZEDZ-MSOLQXFVSA-N 321.486 3.546 0 40 DHAB COc1cccc(C=O)c1OCCCCN1[C@H](C)CCC[C@H]1C 217792952 RACGSBWQCKZWDM-HZPDHXFCSA-N 319.445 3.930 0 40 DHAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)o1 222948058 NOUFGVLWYDECGM-JKSUJKDBSA-N 315.442 3.756 0 40 DHAB COc1ccc(CNC(=S)Nc2cc(C)c(Cl)cn2)cc1 223925777 XPMBZZOWJBKBDX-UHFFFAOYSA-N 321.833 3.539 0 40 DHAB CCOc1ccccc1Nc1ccc(N)cc1C(=O)NC(C)C 225479296 OMVWTPMDTQGFQX-UHFFFAOYSA-N 313.401 3.549 0 40 DHAB Cc1cccc(NC(=S)NCCCc2ccccc2Cl)n1 225542426 UFSDQZIWPMXICZ-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB CC[C@H](NC(=S)Nc1ncccc1OC)c1ccccc1C 225759453 KJWFXTJIDYWBBH-AWEZNQCLSA-N 315.442 3.836 0 40 DHAB COc1ccc(-c2ccc(C)c(NC(=O)c3cc(C)no3)c2)cn1 225762134 KTLPHSIUTOURCK-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCOc1cccc(NC(=S)NCc2cccc(OC)c2)c1 225834606 ZIXFCZJLJQOIBF-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB NCCCN(CCCN)CC1CCCCCCCCCCC1 255187682 GCRNPYVUJNMGDX-UHFFFAOYSA-N 311.558 3.907 0 40 DHAB Cc1noc(C)c1-c1cccc(C(=O)N[C@H](C)c2ccccc2)n1 257235981 HAJFWTNDSZIOEJ-GFCCVEGCSA-N 321.380 3.844 0 40 DHAB c1ccc(CN[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 306142887 XNFUIDIACPOEKM-LJQANCHMSA-N 315.420 3.791 0 40 DHAB Cc1c(Br)cc(F)cc1I 306508649 ANNZTPJLJKISDD-UHFFFAOYSA-N 314.923 3.501 0 40 DHAB Fc1cccc2c1CC[C@@H]2N=c1nc(-c2ccccc2)[nH]s1 504057147 UOTHLENSMZSAGX-HNNXBMFYSA-N 311.385 3.866 0 40 DHAB O=C(Nc1cc(Cl)ccn1)[C@H](c1ccccc1)n1cccc1 575444517 QHPSBMPIRBNZIV-INIZCTEOSA-N 311.772 3.765 0 40 DHAB Cc1ncc(NC(=O)c2ccc3nccc(C)c3c2)c(C2CC2)n1 585083952 WEGGLIYKKDDDKW-UHFFFAOYSA-N 318.380 3.771 0 40 DHAB O=C(NCCc1ccccc1)Nc1ccc(-c2ccncc2)nc1 606440757 NNJQLWAQWDKOIY-UHFFFAOYSA-N 318.380 3.508 0 40 DHAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCNC[C@H]3C[C@@H]21 616575021 CWQIYYLMQPCOIS-MRFFXNKRSA-N 307.821 3.567 0 40 DHAB Clc1ccc2nc(N3CCc4sccc4C3)cnc2c1 1654939358 ZRMOFRMLXBJQMM-UHFFFAOYSA-N 301.802 3.907 0 40 DHAB O=C(CN1CCCC1)Nc1c(Cl)cc(Cl)cc1Cl 142787 OAPAUTGQRCRPIK-UHFFFAOYSA-N 307.608 3.681 0 40 DHAB COc1cc(/C=C/C(=O)NC2CCCCC2)ccc1OC(C)C 148936 FCUMZZNLVGGQJA-ZRDIBKRKSA-N 317.429 3.945 0 40 DHAB c1ccc(-n2ncc3c2ncn2nc(C4CCCCC4)nc32)cc1 534573 JPJMFQPQKJLTNS-UHFFFAOYSA-N 318.384 3.511 0 40 DHAB Cc1ccccc1S(=O)(=O)Oc1ccc2ccc(O)cc2c1 2069659 ZFWMRUKNHGOSEI-UHFFFAOYSA-N 314.362 3.622 0 40 DHAB CCOC(=O)c1cccc(C(=O)CCc2cccc(OC)c2)c1 2516501 DXVRKXICWYKHGE-UHFFFAOYSA-N 312.365 3.687 0 40 DHAB C/C=C/C(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 3376233 WRNCQYLLURDBEC-FARCUNLSSA-N 311.337 3.537 0 40 DHAB O=C(COc1ccccc1Cl)N[C@H]1CCCc2ccccc21 3602862 OFRTUXYLDDNBBH-INIZCTEOSA-N 315.800 3.913 0 40 DHAB C[C@@H]1CCc2c(sc3ncnc(NCc4ccccn4)c23)C1 5658542 KVEJSIWIHFAHNK-LLVKDONJSA-N 310.426 3.823 0 40 DHAB CC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2cc3c(cc2C1=O)CCC3 5713131 QBEZZQQNWXIICM-QFIPXVFZSA-N 316.400 3.902 0 40 DHAB CN(C(=O)CSc1ncnc2sccc12)C1CCCCC1 6078690 WTDAAUBEIQYWAR-UHFFFAOYSA-N 321.471 3.575 0 40 DHAB COc1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cc1 6378230 SQJPFHDPFOXWNL-UHFFFAOYSA-N 315.438 3.956 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)SC(=S)N(CC)CC)cc1 6881838 PZYZZJMRBADDQV-GFCCVEGCSA-N 324.515 3.936 0 40 DHAB CCN(C(=O)[C@@H](C)Sc1nc(C)cs1)c1ccccc1 7007706 QWLQWYBOAXJOGG-GFCCVEGCSA-N 306.456 3.985 0 40 DHAB CCn1c2ccccc2c2cc(CNn3cn[nH]c3=S)ccc21 7365445 FODRGWUJFNOQCJ-UHFFFAOYSA-N 323.425 3.812 0 40 DHAB Cc1cc(Br)ccc1NC(=O)c1cc(C)n(C)c1C 8051839 BJVVDYHDVLETMN-UHFFFAOYSA-N 321.218 3.965 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1COc2ccccc2C1 8113592 UKJUGHYAYIZPSR-GFCCVEGCSA-N 321.298 3.895 0 40 DHAB COc1ccc(C(=O)NCCCSc2ccccc2)cc1F 8388914 VWMWAALTHGZGBX-UHFFFAOYSA-N 319.401 3.747 0 40 DHAB COc1c(Cl)cc(C(=O)Nc2ncccc2C)cc1Cl 8707544 FHDJGDBDDFLMOB-UHFFFAOYSA-N 311.168 3.958 0 40 DHAB Cc1ccc2nc(NC(=O)Cc3ccc4c(c3)CCO4)sc2c1 11429273 HWMROZJOLOPEOJ-UHFFFAOYSA-N 324.405 3.721 0 40 DHAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H]1CCCO1 11690428 SQVDZPXIPIYQIP-CQSZACIVSA-N 319.788 3.817 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(-c2nnc(C)o2)cc1 12443860 YUKRIKKXMDLXKO-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB Cc1cc2cc(CNCc3ccccc3)c(=O)[nH]c2cc1Cl 12493139 XAGMXIAJUDODSO-UHFFFAOYSA-N 312.800 3.780 0 40 DHAB O=C(Nc1ccccc1C(=O)O)c1cccc(C(F)(F)F)c1 13094974 FMHBRBGTIXUXQP-UHFFFAOYSA-N 309.243 3.656 0 40 DHAB Cc1cc(C)cc(OC(=O)/C=C/C(=O)Oc2cc(C)cc(C)c2)c1 16978800 NYIVWHPQBIBSKZ-AATRIKPKSA-N 324.376 3.987 0 40 DHAB COc1ccc(C)cc1N[C@@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 17747105 OOWPNHNGVOBDCJ-ZNMIVQPWSA-N 304.434 3.594 0 40 DHAB COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccncc2)c1 19566013 BBTRJBRIOVGVLB-UWVAXJGDSA-N 324.424 3.522 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2N)c(C)c1 20558605 MNBGMWIRZBKXMS-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1ccc(C2(CNC(=O)c3ccccc3)CCCC2)cc1 21691145 HFPGCZYQSXFUNN-UHFFFAOYSA-N 309.409 3.937 0 40 DHAB CN(Cc1ccsc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 25065532 JDUBOALUCMKPJO-UHFFFAOYSA-N 315.373 3.550 0 40 DHAB Cc1ccc(Cn2ccc(NC(=O)c3cc(C)oc3C)n2)cc1 27929532 CHDWQTHLHFORAN-UHFFFAOYSA-N 309.369 3.702 0 40 DHAB O=C(CN(Cc1ccccc1)C1=NCCCS1)c1ccccc1 28527267 KGLBKTYPBDLVEQ-UHFFFAOYSA-N 324.449 3.864 0 40 DHAB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)cc1 40096950 XWOKOLMKUSOBSE-SFHVURJKSA-N 312.413 3.974 0 40 DHAB Cc1ccc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)s1 41121987 FHUXTZUVSFXNIN-UHFFFAOYSA-N 319.430 3.583 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1cccnc1N1CCCCC1 42215961 QBRUNHZXAIGWBF-UHFFFAOYSA-N 323.396 3.527 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1ccncc1 43184670 POINJXPFXZSMNG-WFASDCNBSA-N 315.442 3.923 0 40 DHAB CC(C)(C)c1nnc(CN2CCC[C@@H]2c2ccc(F)cc2)o1 46855796 OBXCUAFSALCUHM-CQSZACIVSA-N 303.381 3.843 0 40 DHAB COc1cc(NC(=O)Nc2cccc(F)c2C)cc(OC)c1 51354501 JBMHVRDZNAPEDJ-UHFFFAOYSA-N 304.321 3.795 0 40 DHAB O[C@H]1CCCC[C@H]1NCc1ccc(SC(F)(F)F)cc1 51991161 UDBLNKWMZORIJP-OLZOCXBDSA-N 305.365 3.692 0 40 DHAB CC[C@@H](C)NC(=S)Nc1ccc(Br)cc1F 59115075 OPURFUKFAFBKDI-SSDOTTSWSA-N 305.216 3.673 0 40 DHAB Cc1csc([C@@H]2CN(c3nc4ccccc4s3)CCO2)n1 65466135 PBXWGNDSEBNSOY-LBPRGKRZSA-N 317.439 3.639 0 40 DHAB O=C(Nc1cccc(-n2ccnc2)c1)c1nccc2ccccc12 65553138 IHTNYONCIYSYDA-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB CC(C)=CC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 69529329 UUPHCRCAFVMWRR-UHFFFAOYSA-N 300.333 3.595 0 40 DHAB O=C(Nc1cc(Cl)ccc1Cl)N1CCC(CCO)CC1 69587278 HFWKRXROXDEVBP-UHFFFAOYSA-N 317.216 3.620 0 40 DHAB CC(C)Oc1nnc(SC[C@H]2OCCc3ccccc32)s1 71908494 JFCQUYPOCHWGMU-CYBMUJFWSA-N 322.455 3.731 0 40 DHAB Cc1cccc2cc3c(nc12)OCCN(Cc1ccccc1)C3 72392252 MTHCLTPREKZEBO-UHFFFAOYSA-N 304.393 3.938 0 40 DHAB C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1cccs1 74856733 DRXLCURXLNHSSY-SNVBAGLBSA-N 315.847 3.582 0 40 DHAB CCC[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccn1 95350493 VKGZCXINBIXQPZ-DLBZAZTESA-N 301.434 3.897 0 40 DHAB CC[C@H]1CC[C@H](C)N1C(=O)c1sc(NC(=O)C2CC2)cc1C 95459200 OLUFLXSXATXKBX-AAEUAGOBSA-N 320.458 3.808 0 40 DHAB COc1ccc(F)cc1C(=O)CC1(CC(=O)O)CCCCC1 95634312 YBOQIXBSXCGPMW-UHFFFAOYSA-N 308.349 3.832 0 40 DHAB CCSCc1ccnc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 96502469 DKVHAWWBGUOHBM-KBPBESRZSA-N 305.447 3.599 0 40 DHAB CC(C)N(C[C@H](O)CO[C@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2)C(C)C 101244145 YTCOFICLLIPGED-VUHPKUFZSA-N 311.510 3.698 0 40 DHAB O=C(Nc1cccnc1Cl)c1ccc(-n2cccc2)c(F)c1 104228014 UXPMKPZUSOCMSD-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 105700993 WWTOWJSXIYROPR-FYLLDIAZSA-N 313.228 3.943 0 40 DHAB Cc1cnc(CNc2cc(Br)c(F)cc2F)o1 187972003 AIOIFEZCZUQUFY-UHFFFAOYSA-N 303.106 3.636 0 40 DHAB COc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1C 223053016 JTTFHTOGBBTDDF-OAHLLOKOSA-N 313.397 3.509 0 40 DHAB C[C@H](NC(=O)c1n[nH]c2c1CCCCCC2)[C@H]1C[C@H]2CC[C@H]1C2 248376615 DBSJVCSOXDFVEP-RZLSGREXSA-N 315.461 3.623 0 40 DHAB Cc1ccc(CCCN2C[C@@]34CCCC[C@@]3(CN(C)C4)C2)cc1 1560237692 CPZULPQFOBZAHZ-OYRHEFFESA-N 312.501 3.735 0 40 DHAB C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccccc1 150368 SOXLMZGSSHBDCB-NSHDSACASA-N 320.186 3.855 0 40 DHAB O=C(NCc1ccccc1F)c1ccccc1Br 291906 FHGDHWICWXGLOV-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB Cc1ccccc1-c1nc2cc(NC(=O)[C@H]3CCCO3)ccc2o1 367892 ARMWMPULEQIVSV-QGZVFWFLSA-N 322.364 3.921 0 40 DHAB O=P1(Nc2ccc(Cl)cn2)COc2ccccc2OC1 2330101 QGFSIBPMPYEVLS-UHFFFAOYSA-N 310.677 3.811 0 40 DHAB Cc1cc(NC(=O)c2cc(CC(C)C)on2)n(-c2ccccc2)n1 2465792 WRCMDKFZRJLERJ-UHFFFAOYSA-N 324.384 3.620 0 40 DHAB CCOC(=O)CCCCCCC(=O)c1cccc(OC)c1OC 2580421 CVSOPTQUPOGDKH-UHFFFAOYSA-N 322.401 3.790 0 40 DHAB Nc1cc(Cl)ccc1C(=O)OCc1nc2ccccc2s1 3252598 TVMWTFLKGKKERJ-UHFFFAOYSA-N 318.785 3.889 0 40 DHAB CCCCc1c(OC)n(-c2ccccc2)n(-c2ccccc2)c1=O 3609921 HZWCYMHYZRAXMH-UHFFFAOYSA-N 322.408 3.979 0 40 DHAB O=C(O)c1cccc(/N=C/c2cccc(Br)c2)c1 4481594 MSQSNBXGQGJNNK-CXUHLZMHSA-N 304.143 3.898 0 40 DHAB CCc1ccccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O 4651522 QPNIHUYGLPWINJ-CABCVRRESA-N 301.386 3.635 0 40 DHAB O=C(Nc1ccc(Cl)cn1)c1c(F)c(F)c(F)c(F)c1F 4652597 OEJPFDFCLPFTCT-UHFFFAOYSA-N 322.620 3.683 0 40 DHAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)[C@H](O)[C@@]4(C)CC[C@@H]32)C1 4916738 FTVVRNPVTQSSQO-HOSJZOFRSA-N 318.457 3.504 0 40 DHAB COc1ccc(/C=C\[C@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 4934873 GDNSQQLLCBYQEJ-RZFAWWKGSA-N 315.457 3.581 0 40 DHAB c1ccc(-c2nnc3c(N4CCCC4)nc4ccccc4n23)cc1 5009346 ILJATHCYOLUWJB-UHFFFAOYSA-N 315.380 3.545 0 40 DHAB COc1ccc(C)cc1NC(=O)COc1cc(C)cc(C)c1C 5474498 BHJKIMOVYJQQBK-UHFFFAOYSA-N 313.397 3.946 0 40 DHAB N[C@H](CCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 5673628 QIECYFSVFSKILE-OAHLLOKOSA-N 303.789 3.744 0 40 DHAB O=C(N/N=C/c1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1 5766798 BOYYAPVHEYMDRN-DJKKODMXSA-N 315.735 3.724 0 40 DHAB COc1ccc(-c2nnc(C)c3nn(-c4ccccc4)cc23)cc1 5792670 MCUFVZNBWZHJRZ-UHFFFAOYSA-N 316.364 3.800 0 40 DHAB COC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 6404918 OGISPAZCGSEPCR-ZDUSSCGKSA-N 324.376 3.612 0 40 DHAB Cc1ccc(C(=O)OCc2nc(-c3ccccc3)no2)c(C)c1 7549320 JHVAGZPCBIFVBH-UHFFFAOYSA-N 308.337 3.710 0 40 DHAB CN(Cc1ccc2ccccc2c1)Cn1c(=O)oc2ccccc21 7777333 JTYAUJWTEPXHID-UHFFFAOYSA-N 318.376 3.837 0 40 DHAB CSc1ccc2nc(NC(=O)c3cc(C)no3)sc2c1 12422464 DKSGIOXSDLGBDS-UHFFFAOYSA-N 305.384 3.567 0 40 DHAB C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 12784583 GGKPMDASKNWZOE-VIFPVBQESA-N 310.184 3.828 0 40 DHAB Cc1ccc(NC(=O)NC2CCCCC2)cc1N1CCCC1=O 12846153 UVAJVXYEJWDAFO-UHFFFAOYSA-N 315.417 3.576 0 40 DHAB COC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12880851 CEMVWUWJFMTFLO-JTQLQIEISA-N 314.366 3.543 0 40 DHAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1cccs1 14043443 HTANIDIBHZHREU-SECBINFHSA-N 320.439 3.649 0 40 DHAB Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc(C(F)(F)F)n1 17056817 OPPFTVKQZFAOFL-UHFFFAOYSA-N 324.093 3.523 0 40 DHAB Cc1cc(N2CCCC2)ccc1NC(=O)Cc1cccs1 25032025 BHLOZHCTOIFGEV-UHFFFAOYSA-N 300.427 3.838 0 40 DHAB CC(=O)Nc1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 25318428 SGORBKUIMOLSFT-UHFFFAOYSA-N 308.381 3.705 0 40 DHAB CC1(C)CN(C(=O)c2ccccc2Nc2ccccc2)CCO1 27639279 CTTRPUSKJOOJTH-UHFFFAOYSA-N 310.397 3.681 0 40 DHAB CC(C)CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220599 HSRPEUGEXWGWCQ-MRXNPFEDSA-N 322.880 3.714 0 40 DHAB O=C(NC1CCCC1)c1ccc(COc2ccc(F)cc2F)o1 28227126 FREJSVJEPRXXDH-UHFFFAOYSA-N 321.323 3.809 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(-c2ccn[nH]2)c1 31589024 BDMMXQRWRSCPDZ-UHFFFAOYSA-N 316.364 3.739 0 40 DHAB Cc1c(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cnn1C 32610283 NMYSSSWGHHQRCA-UHFFFAOYSA-N 312.200 3.607 0 40 DHAB Cc1c(CCC(=O)Nc2ccc(Cl)cc2Cl)cnn1C 32610686 ANXMUNBKIWFZKH-UHFFFAOYSA-N 312.200 3.607 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCCSc2ccccc21 32897455 RCOCOVIHHBDVGW-UHFFFAOYSA-N 316.426 3.753 0 40 DHAB FC(F)n1ccnc1COc1ccc(Br)cc1 34937836 OPXUTGJNKGTDQO-UHFFFAOYSA-N 303.106 3.620 0 40 DHAB in-vitro CC(=O)c1cccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 39987705 CUBYHJAVPIYCAA-IBGZPJMESA-N 322.408 3.665 0 40 DHAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nccs1 40140102 IUPGFHSHHMHDJO-NSHDSACASA-N 304.415 3.847 0 40 DHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)C1CCCC1 40487651 IEEVNYPKCRFAAL-UHFFFAOYSA-N 315.335 3.572 0 40 DHAB O=C(CCc1ccsc1)Nc1nc(-c2ccccc2)ns1 42090601 ZFVRUUQMEOWEDX-UHFFFAOYSA-N 315.423 3.838 0 40 DHAB COc1ccc(CC(=O)NCc2ccc3ccccc3c2)cc1 45201205 FERMASOFEHZSMV-UHFFFAOYSA-N 305.377 3.707 0 40 DHAB CC(C)Oc1ccc(NC(=O)COc2ccccc2F)cc1 49226701 RDHQAIXVZCEXJP-UHFFFAOYSA-N 303.333 3.630 0 40 DHAB CCN(C(=O)NCc1ccccc1F)[C@H](C)c1cccc(O)c1 50076695 WZVLKYAZTVDFPI-CYBMUJFWSA-N 316.376 3.824 0 40 DHAB COc1c(Cc2ccccc2)cc(Br)cc1C(=O)O 57352747 YHRSMJAPNBPAJY-UHFFFAOYSA-N 321.170 3.747 0 40 DHAB O=C(Cc1ccccc1Cl)N1CCC(n2cccc2)CC1 58142613 ZSBZDQWOXYRBQJ-UHFFFAOYSA-N 302.805 3.548 0 40 DHAB COc1c(CNC2(c3ccccc3)CCC2)c(C(C)C)nn1C 58432436 BCWRSXFANYQJAD-UHFFFAOYSA-N 313.445 3.721 0 40 DHAB c1ccc(-c2coc(CNCc3nnc4n3CCCCC4)c2)cc1 69161052 FLXFKTIYGZPEQN-UHFFFAOYSA-N 322.412 3.554 0 40 DHAB O=C(CC1CCCC1)NCCc1coc(-c2ccc(F)cc2)n1 69513698 OZJJQYUTEDWOQQ-UHFFFAOYSA-N 316.376 3.720 0 40 DHAB O=C(NCC(F)(F)F)Nc1cccc(Oc2ccncc2)c1 69950417 BJJLEQFVKYMSGG-UHFFFAOYSA-N 311.263 3.558 0 40 DHAB C[C@@H](c1ccncc1)N(C)C(=O)NCC1(c2ccccc2)CC1 71841259 YPKOSFWOHODNFG-HNNXBMFYSA-N 309.413 3.516 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 72214810 SMFZVSCHKJXFML-AWEZNQCLSA-N 305.422 3.658 0 40 DHAB O=C(O)C1(c2cc(-c3ccc(Br)cc3)on2)CCC1 72220612 JPDPTXMCRCUHKC-UHFFFAOYSA-N 322.158 3.610 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C 72414232 SYWBDUVBSWJCOO-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB CCC[C@@H](NC(=O)CCc1ccccn1)c1ccc(F)cc1F 79102247 LBEBXQZHSYHLFE-QGZVFWFLSA-N 318.367 3.950 0 40 DHAB FC(F)(F)c1ccnc(N2CCC(Nc3cccnc3)CC2)c1 95408584 VCWBSAUFKSKURY-UHFFFAOYSA-N 322.334 3.576 0 40 DHAB COc1cc([C@@H](C)NCCc2ccccn2)ccc1SC 95419161 KYZMWKNRHOYHAG-CYBMUJFWSA-N 302.443 3.705 0 40 DHAB CO[C@](C)(CNC(=O)/C=C/c1cccs1)c1ccccc1F 96123455 DYAJMDKMBDRTLJ-OAGJVSPASA-N 319.401 3.578 0 40 DHAB CC(C)(C)c1cnc(CNc2ccc(N3CCCC3=O)cc2)o1 96450111 RUJNDZFPKBSSKW-UHFFFAOYSA-N 313.401 3.711 0 40 DHAB COC(=O)[C@@H](C(C)C)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223213010 ZQQPMXRHTNQWET-XJKSGUPXSA-N 319.445 3.985 0 40 DHAB O=C(/C=C/c1ccccc1)NCCOc1ccccc1Cl 223376204 NXKRKUJQWGVWNJ-ZHACJKMWSA-N 301.773 3.548 0 40 DHAB Cc1ccc(NC(=S)NCCOc2cccc(C)c2C)cc1 223972202 IADJIRSHEPXBGT-UHFFFAOYSA-N 314.454 3.977 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccccc1 225579858 QTBIZHCIPOCXGR-MRXNPFEDSA-N 305.491 3.628 0 40 DHAB COc1ccc(C(N)=O)cc1OCc1cccc2ccccc12 226322291 IMUZILWJJIIHIG-UHFFFAOYSA-N 307.349 3.526 0 40 DHAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3csc(C(C)C)c3)C2)n1 257334848 YHPQRCKZGAOIHJ-ZDUSSCGKSA-N 317.458 3.923 0 40 DHAB Cc1cccc(C(=O)N2CCC(COc3ccnc(C)c3)CC2)c1 1775968055 LSLHOFIKJMHZAR-UHFFFAOYSA-N 324.424 3.630 0 40 DHAB Cc1nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2nc1C 217471 BDCCHNKFPWJINM-CQSZACIVSA-N 305.381 3.738 0 40 DHAB Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)c1 252108 MVLDLIHJMREZIH-HNNXBMFYSA-N 319.408 3.711 0 40 DHAB Cc1cccn2c1nc(=S)n2C(=O)c1ccc(Cl)cc1 536960 WRLBXGORGPBBJM-UHFFFAOYSA-N 303.774 3.516 0 40 DHAB COc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1 2639327 FEEYKVCPKPHZFI-UHFFFAOYSA-N 312.394 3.795 0 40 DHAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2)c(Cl)c1 3398376 GEEBELYSKWCCMN-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB O=C(COc1cccc(Cl)c1)N[C@@H]1CCCc2ccccc21 3603933 LQFGYIWPBLVKNN-QGZVFWFLSA-N 315.800 3.913 0 40 DHAB COc1ccccc1N1C(=O)S/C(=C/c2ccccc2)C1=O 5178534 VOHLRIKNGLMDQM-RVDMUPIBSA-N 311.362 3.936 0 40 DHAB COc1ccc(COC(=O)c2cn(C)c3ccccc23)cc1F 5703554 GSOCQJYUWUAAAG-UHFFFAOYSA-N 313.328 3.683 0 40 DHAB COc1ccccc1OCCC(=O)Nc1ccc2c(c1)CCC2 6082800 AHYCFJMNBKVAPP-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(F)cc1 6205979 CLESWPFSJMUTTO-AWEZNQCLSA-N 318.373 3.594 0 40 DHAB Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCCC3)c12 6662453 GHFCSNOBFHVOGQ-UHFFFAOYSA-N 306.413 3.697 0 40 DHAB O=C(NC1CCCCCC1)c1cc(Cl)c2c(c1)OCCCO2 6789316 QFNXDUSQHXFUMM-UHFFFAOYSA-N 323.820 3.954 0 40 DHAB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)s1 6881153 OJYZGEHERJOBRH-UHFFFAOYSA-N 307.444 3.575 0 40 DHAB CCOc1ccc(OC[C@H](O)CN[C@H](C)CCCC(C)C)cc1 6935697 UYGDJVDSLOZSTR-IAGOWNOFSA-N 323.477 3.629 0 40 DHAB O=C(CCOc1ccccc1)N[C@@H]1CCSc2ccccc21 8346081 ASUARCGIAKTYQZ-MRXNPFEDSA-N 313.422 3.809 0 40 DHAB CCc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10764591 RQZGECFVGRCBNQ-UHFFFAOYSA-N 322.408 3.528 0 40 DHAB CC(=O)c1cc(C(=O)N2CC[C@H](C3CCCCC3)C2)cs1 12325881 HIXVOGABKIGRFJ-AWEZNQCLSA-N 305.443 3.993 0 40 DHAB CC(C)c1ccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3O2)cc1 12972260 VGPXVQOXOGWPJU-IFXJQAMLSA-N 309.409 3.991 0 40 DHAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(Br)cc1 16471654 OUQAHATXUCQNCH-OAHLLOKOSA-N 316.198 3.866 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Cc2coc3ccc(C)cc23)cc1 16751076 LMYTTYBKVBLIBR-UHFFFAOYSA-N 322.364 3.881 0 40 DHAB Cc1cc(C)cc(N[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 21819654 ZWPYGOPWURTDDI-HNNXBMFYSA-N 314.404 3.602 0 40 DHAB COCCN1C(=O)c2ccccc2N[C@H]1/C(C)=C/c1ccccc1 25309985 BEJDFFRIDINBBR-JUWJPQTCSA-N 322.408 3.630 0 40 DHAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccnc1S 26187620 LZUJTZAHIVWKNF-UHFFFAOYSA-N 320.443 3.522 0 40 DHAB CC[C@@H](O)[C@@H](O)C/C=C/C/C=C/CCCCCCCC(=O)O 32821802 LKLLJYJTYPVCID-VCSNTVHDSA-N 312.450 3.826 0 40 DHAB biogenic COc1cccc(Oc2ccc(-c3cccc(C(=O)O)c3)nn2)c1 32918500 BZJZBUPPCPAPAV-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2cccnc2)C1 36360512 QEQKIWMYNNKDFW-GFCCVEGCSA-N 308.316 3.530 0 40 DHAB C[C@@H]1CCCN(c2nc(N3CCCCC3)c3ccccc3n2)C1 41148635 QPHAODBYBKTQMK-OAHLLOKOSA-N 310.445 3.856 0 40 DHAB CC(C)c1nc(CS(=O)(=O)C/C=C/c2ccccc2)cs1 46094103 IIXQABNZUGYPLD-RMKNXTFCSA-N 321.467 3.895 0 40 DHAB O=C(NCc1cc(F)cc(F)c1)c1cc2c(s1)CCCC2 46643362 JZUISDZADWGYCY-UHFFFAOYSA-N 307.365 3.835 0 40 DHAB O=C(c1ccc(Cl)s1)N1CC(c2nc3ccccc3[nH]2)C1 56924152 QHRQBGFSIPQMAP-UHFFFAOYSA-N 317.801 3.517 0 40 DHAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(C1CC1)CO3 57140454 JQMSYRNVXWOFQX-UHFFFAOYSA-N 319.360 3.774 0 40 DHAB biogenic CSc1ccc(-c2noc(CN3CCC(C)CC3)n2)cc1 57427603 KKNTXOAAKSUUHQ-UHFFFAOYSA-N 303.431 3.690 0 40 DHAB CC(C)(CNC(=O)CCc1nccs1)c1ccccc1Cl 69518548 QIYRMOJDLSZYSU-UHFFFAOYSA-N 322.861 3.823 0 40 DHAB Cc1cc(Br)ccc1NC(=O)c1ccc(F)nc1 69704325 OPOZDBZFFNNERO-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB C[C@H](CC[C@@H]1CCCO1)NC(=O)/C=C/c1ccnc2ccccc12 71910546 OUAATNTVCPGAJT-XLZHNJQLSA-N 324.424 3.712 0 40 DHAB O=C(NCCOCc1ccccc1)c1c(Cl)cccc1Cl 81965220 CFWWBWRWZQRHJV-UHFFFAOYSA-N 324.207 3.940 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cc3ccccc3o2)c(C)c1O 84920231 QNXGTOGGBLVCCE-UHFFFAOYSA-N 317.366 3.556 0 40 DHAB C[C@@H](c1ccccc1)n1ccc(NC(=O)CCC(F)(F)F)n1 89905766 AYFBYDRWPWSIOI-NSHDSACASA-N 311.307 3.773 0 40 DHAB COc1ccc2oc(CNCCc3nc(C)cs3)cc2c1 95448613 UDXBIBCBYWRWDD-UHFFFAOYSA-N 302.399 3.539 0 40 DHAB O=C(Cc1cccc(O)c1)N(CCC(F)(F)F)C1CCCC1 96475424 QNBCLURSZBAMDX-UHFFFAOYSA-N 315.335 3.658 0 40 DHAB Cc1nnc(-c2ccc(NC(=O)Nc3ccc(O)c(C)c3)cc2)o1 97104814 NLIVKFRVKREDMS-UHFFFAOYSA-N 324.340 3.703 0 40 DHAB Cc1nnc(CN[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)o1 97110972 WTUPZDTZCPOHTK-VHSXEESVSA-N 313.323 3.679 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)C1=C[C@@H]3C=C[C@H]4C=C[C@H]1[C@@H]43)C2 104283473 NEXIGXOTTLWWTF-QOXXOLELSA-N 309.453 3.862 0 40 DHAB C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2CCCOC2)cs1 193743980 RFWNFMUGLMERKT-WDEREUQCSA-N 312.435 3.623 0 40 DHAB COc1ccc(O[C@H](Cc2ccc(C)c(Cl)c2)C(=O)O)cc1 225080497 DITGZDXJGYNXMA-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB Cc1cc(C)c(C(=O)NCc2nc(-c3ccccc3)no2)cc1C 225652390 CBXPTAQGQXKUIC-UHFFFAOYSA-N 321.380 3.592 0 40 DHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)cc(F)c4)OCC[C@@]3(C2)[C@@H]1O 257249035 JGKFWMBYLLDDMK-BWCYVWJYSA-N 308.368 3.840 0 40 DHAB C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc3c(c2)CCO3)C1 524169149 APFVICHXDFDUKG-OAQYLSRUSA-N 321.420 3.815 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(Br)c(C)c1 575362362 WNTFWLYDUJBULM-UHFFFAOYSA-N 313.191 3.674 0 40 DHAB CCOC(=O)[C@@H]1C[C@H]1c1c[nH]c2ccc(Br)cc12 2362804643 DUGBQVXNEMUSFF-MWLCHTKSSA-N 308.175 3.597 0 40 DHAB CC(=O)c1c(C)oc2ccc(OCCN3CCCCC3)cc12 34430 DKJFKQHJLMSBNZ-UHFFFAOYSA-N 301.386 3.809 0 40 DHAB Cc1ccc(CSc2nnc(-c3ccc(C)cc3)n2N)cc1 523612 OEFVVMYVPLOXEK-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB Cc1cc(C)n([C@H]2CCCC[C@H]2OC(=O)c2ccccc2F)n1 554839 AUHRYULJCBPMPG-DLBZAZTESA-N 316.376 3.980 0 40 DHAB CCc1cccc(CC)c1NC(=O)[C@@H]1COc2ccccc2O1 798672 HLFPHAWVGRGJMA-KRWDZBQOSA-N 311.381 3.590 0 40 DHAB CCn1nc(C)c(/C=C/C(=O)Nc2ccc3c(c2)CCC3)c1C 1019022 WNIIZFMSASZTLV-ZHACJKMWSA-N 309.413 3.660 0 40 DHAB Cc1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)[C@@H](C)O2 1328422 MHCINTVGUOCUBG-GFCCVEGCSA-N 301.773 3.963 0 40 DHAB COc1cc(C(F)(F)F)cn(Cc2ccc(Cl)cc2)c1=O 1391180 JYEIDKOETNDYIL-UHFFFAOYSA-N 317.694 3.577 0 40 DHAB Cc1ccc2c(=O)cc(-c3ccc4c(c3)OCCCO4)oc2c1 1516511 UQLIIYVZOOGTTF-UHFFFAOYSA-N 308.333 3.930 0 40 DHAB biogenic COc1cc2nncc(SCc3ccccc3)c2cc1OC 1693176 JFNVQDVHUIGOKQ-UHFFFAOYSA-N 312.394 3.939 0 40 DHAB OCCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 1751645 ILWVRVJPGIIYNZ-UHFFFAOYSA-N 300.427 3.541 0 40 DHAB O=S(=O)(c1cc(Cl)c(Cl)c(Cl)c1)C(F)(F)F 2540420 XHOUWSNOXLVTSB-UHFFFAOYSA-N 313.511 3.940 0 40 DHAB Cc1ccc(CNC(=O)Cc2ccc(-n3cccc3)cc2)cc1 2928322 WFOBXQIJIRBMOU-UHFFFAOYSA-N 304.393 3.645 0 40 DHAB aggregator O=C(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 3276905 YHPOVKCXHPJISA-UHFFFAOYSA-N 315.170 3.751 0 40 DHAB Cc1ccc(C)c(OC(=O)c2cc(=O)c3ccccc3o2)c1C 3281650 VNPJKODCTQWIIU-UHFFFAOYSA-N 308.333 3.937 0 40 DHAB Cc1ccccc1CN(C)CC(=O)Nc1ccc(Cl)cc1F 3386171 FMYMOBQNGRDZRV-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB CCCOc1ccc([C@](O)(CC)CCN2CCCCC2)cc1 3901301 XEUICYHPOPUKPU-IBGZPJMESA-N 305.462 3.949 0 40 DHAB CC(C)CC(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4223309 YHJZODYXDARYEA-UHFFFAOYSA-N 301.415 3.604 0 40 DHAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(F)c(Cl)c1 4865072 BCOXEAWOVMTZFB-UHFFFAOYSA-N 306.749 3.841 0 40 DHAB CC1(C)CC(=O)C2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)C1 4913937 SCAAQQCXCDRCDW-MRXNPFEDSA-N 311.425 3.546 0 40 DHAB O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccc(F)cc1 5388427 XTWXQWKTCMJDMK-UHFFFAOYSA-N 314.747 3.751 0 40 DHAB Cc1ccc(Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 5401781 ILDYZAVNJDYCMB-UHFFFAOYSA-N 304.393 3.884 0 40 DHAB O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc(F)c(F)c1 7778453 KLTPYXKJKOZSFM-UHFFFAOYSA-N 322.332 3.555 0 40 DHAB C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1 8389920 BSSUORIHMZYCIP-GFCCVEGCSA-N 309.818 3.722 0 40 DHAB Cc1ccc(CCCNC(=O)c2n[nH]c3ccccc23)c(C)c1 9889925 MINYYZDVTAYFIX-UHFFFAOYSA-N 307.397 3.542 0 40 DHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)c(F)c1 9897570 NVDSSDRAXBFUKD-UHFFFAOYSA-N 316.307 3.566 0 40 DHAB COc1ccc(Nc2noc3c2C(=O)C[C@H](c2ccco2)C3)cc1 10339430 IUFQTFYCWZAYCL-NSHDSACASA-N 324.336 3.933 0 40 DHAB CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 11428901 CHXRYGKLGPRFCT-NSHDSACASA-N 316.426 3.919 0 40 DHAB O=C(CCn1c(C(F)F)cc2cccnc21)NC1CCCCC1 12187260 WWRGPFRGPCXPPB-UHFFFAOYSA-N 321.371 3.813 0 40 DHAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(F)c3)ccc2o1 12554337 HEJKRCOWQRBXGK-SNVBAGLBSA-N 313.332 3.714 0 40 DHAB O=P(O)(O)[C@@H](Nc1ccc(Cl)cc1)c1ccsc1 12997412 UQWKCPKEGGSZTG-LLVKDONJSA-N 303.707 3.690 0 40 DHAB CC1(C)CC(O)CC(C)(C)N1C(=S)Nc1ccccc1F 16577774 OABLLJMELCYSIX-UHFFFAOYSA-N 310.438 3.536 0 40 DHAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccccc1 17056048 QZXLGGBNYCRKRN-UHFFFAOYSA-N 322.389 3.672 0 40 DHAB C[C@@H]1N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C1(C)C 17105089 MLMXURVUXDFYOS-QMMMGPOBSA-N 310.319 3.663 0 40 DHAB CN(CCCNC(=O)Nc1cccc(Cl)c1)c1ccccc1 18177981 XTBDZERGNBMOTN-UHFFFAOYSA-N 317.820 3.988 0 40 DHAB Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl 19736395 YKTLUPLVNFVSGO-NSHDSACASA-N 304.777 3.637 0 40 DHAB CC(C)CC[C@@H](CCN1CCOCC1)c1ccc2c(c1)OCO2 20519456 SHROANCCKWVCHN-INIZCTEOSA-N 319.445 3.657 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc12 21219631 IHJNCISTIQHLQM-UHFFFAOYSA-N 320.348 3.535 0 40 DHAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1cnn(C)c1 27919469 XFXQFEMFIACDEE-CQSZACIVSA-N 305.381 3.578 0 40 DHAB Cc1ccc(C)c(C(=O)COc2ncnc3ccc(C)cc23)c1 32922637 VQMLOYLXDBMLBX-UHFFFAOYSA-N 306.365 3.817 0 40 DHAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cccc(F)c1 32930792 GCSYXIHROQNGRC-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB COc1cc(C(=O)Nc2ccccc2)c(-n2cccc2)cc1OC 36357732 SSQHKWUWBYFYLU-UHFFFAOYSA-N 322.364 3.747 0 40 DHAB Cc1c(Cl)ccc(S(=O)(=O)N2CCCC[C@H]2C)c1Cl 41096688 GCLJNWOEFDDPQT-SECBINFHSA-N 322.257 3.865 0 40 DHAB C[C@@H](NC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccn1 43181378 CFWUOMGJGFRYAB-IUODEOHRSA-N 301.415 3.751 0 40 DHAB Cc1noc(C)c1CN(C)Cc1ccc(OC(F)(F)F)cc1 44893795 LJKJMLPXFOGYSE-UHFFFAOYSA-N 314.307 3.822 0 40 DHAB C[C@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C)CO1 45785426 PCFUGRKZPXMCKH-NEPJUHHUSA-N 306.793 3.604 0 40 DHAB C[C@@H](c1ncnc(Cl)c1F)[C@](C)(O)c1ccc(F)cc1F 56955842 WGWRADFMZDPUIH-WJWGPLDTSA-N 316.710 3.559 0 40 DHAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C)s1 57280495 OQPKEFPMFMQZNN-UHFFFAOYSA-N 314.410 3.563 0 40 DHAB C[C@@H](O)CN(Cc1cc(-c2ccccc2)no1)c1ccccc1 58416620 IDLVMZMADKFTFG-OAHLLOKOSA-N 308.381 3.729 0 40 DHAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nccs2)CC1 62450500 QAWSINDKHOESBC-CVEARBPZSA-N 312.438 3.653 0 40 DHAB CCOCCC(=O)Nc1c(F)cccc1Oc1ccccc1 71884430 QHKGMNFTBPZSQP-UHFFFAOYSA-N 303.333 3.983 0 40 DHAB Clc1cccc(C2(c3nc([C@H]4CCOC4)no3)CCC2)c1 84367510 RTJJRZJAUXBIPT-NSHDSACASA-N 304.777 3.697 0 40 DHAB COc1ccc(C)cc1[C@H](C)N[C@H]1CCO[C@]2(CCSC2)C1 90542635 RIOQBTIZPOKOCI-RLFYNMQTSA-N 321.486 3.709 0 40 DHAB Cc1ncsc1CN(C)C(=O)[C@H]1SCCc2sccc21 95403528 POYOYRJYDPYZCF-ZDUSSCGKSA-N 324.496 3.502 0 40 DHAB CO[C@H](C)c1cccc(NCc2ccc([S@](C)=O)cc2)c1 95428992 WIIDWTREUDMRSH-LRTDBIEQSA-N 303.427 3.744 0 40 DHAB COc1cccc2cc([C@@H](C)NC[C@H](O)c3ccsc3)oc12 95987936 ZQAYESOMJXWIAK-RISCZKNCSA-N 317.410 3.887 0 40 DHAB CC(C)(C)c1n[nH]c(SCc2cccc(-n3cccn3)c2)n1 95997524 INVSPXOTJQYOMI-UHFFFAOYSA-N 313.430 3.580 0 40 DHAB C[C@@H](CC(=O)N(C)Cc1cccc(O)c1)c1cccc(F)c1 96407828 XFQJMKYZJYBPFU-ZDUSSCGKSA-N 301.361 3.684 0 40 DHAB CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100749275 HNHQJGPQHLCTSC-RTBURBONSA-N 307.478 3.913 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)NCCC2=CCCCC2)c1 104637799 ANDYKAVRGRUCBR-UHFFFAOYSA-N 301.430 3.997 0 40 DHAB Cc1nc(/C=C2/SCCN2C(=O)c2ccc(F)cc2)cs1 225259586 VPGASEZQMWGDKC-RIYZIHGNSA-N 320.414 3.778 0 40 DHAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccncc1 225289087 LXAXMIUKGRTRBO-UHFFFAOYSA-N 323.874 3.814 0 40 DHAB Cc1cc(Cl)ccc1Nc1ccc(N)cc1C(=O)NC1CC1 225473365 LXEUMMLJEAKVIJ-UHFFFAOYSA-N 315.804 3.866 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C 225761636 JSPYNAUMXSHDHL-UHFFFAOYSA-N 324.424 3.624 0 40 DHAB C[C@H](COc1ccccc1)NC(=S)Nc1cccc(F)c1 225782506 DWDWCBBJQYUZBW-GFCCVEGCSA-N 304.390 3.580 0 40 DHAB CCOc1ccc(C(=S)NCc2ccc(OC)cc2)cc1 408575256 UAKXUYFBOYAYPQ-UHFFFAOYSA-N 301.411 3.559 0 40 DHAB COc1ccc(-c2nnc(SC(=O)c3cccs3)o2)cc1 408692953 ZFCUBCMTQKWPSQ-UHFFFAOYSA-N 318.379 3.739 0 40 DHAB C[Si](C)(C)CCCc1nc(CC(=O)Nc2ccccc2)no1 585133185 ACVQDGUTGNTUIC-UHFFFAOYSA-N 317.465 3.522 0 40 DHAB CO[C@@]1(COc2ccccc2C)CCN(C2CCCCC2)C1 1615140052 AUZLAJGWABCHSA-IBGZPJMESA-N 303.446 3.797 0 40 DHAB O=C(NCc1cccs1)Nc1cc(Cl)nc(Cl)c1 163072 NISPERNHRQYNPG-UHFFFAOYSA-N 302.186 3.772 0 40 DHAB O=C1OC(c2ccco2)=N/C1=C/c1ccc(Cl)c(Cl)c1 177973 DLQGKIOQLWXJIL-YRNVUSSQSA-N 308.120 3.931 0 40 DHAB Cc1ccc2cccc(N3C(=O)Nc4ccccc4N3O)c2n1 184564 ZFRBHVZMPXNLPG-UHFFFAOYSA-N 306.325 3.706 0 40 DHAB CCOc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1 357176 HNGISAVJDZHTCL-UHFFFAOYSA-N 301.729 3.539 0 40 DHAB Cc1ccccc1Cc1nn2c(-c3ccccc3)nnc2s1 384953 XHEATDMBFGSXJT-UHFFFAOYSA-N 306.394 3.752 0 40 DHAB c1ccc2c(c1)CCN(c1ncnc3c1oc1ccccc13)C2 536601 FEXBWZOYBHUGRP-UHFFFAOYSA-N 301.349 3.939 0 40 DHAB O=C1c2ccccc2C(=O)N1CNc1cc(Cl)ccc1Cl 3196200 MHSMCKRNWXIIRY-UHFFFAOYSA-N 321.163 3.659 0 40 DHAB O=C(COC(=O)c1ccccc1)Nc1ccc2ccccc2c1 3398753 POYNPNLFQGXGQG-UHFFFAOYSA-N 305.333 3.635 0 40 DHAB CCC(=O)O[C@@]1(c2ccccc2)CCN(CC2CC2)C[C@@H]1C 5046333 FGZVDOOZHOVBIL-KXBFYZLASA-N 301.430 3.587 0 40 DHAB Cc1ccc(C)c(OCCC(=O)Nc2cc(F)ccc2F)c1 6376723 SBJZNNQZMIFRTK-UHFFFAOYSA-N 305.324 3.989 0 40 DHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccccc1 7038627 SGNJLMBFMSCFPM-LBPRGKRZSA-N 319.836 3.992 0 40 DHAB O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1CC(F)(F)F 7113350 UBHWPXUPBGGDCM-AWEZNQCLSA-N 322.286 3.521 0 40 DHAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1 7486594 BDROAGWGPAMHAE-LLVKDONJSA-N 300.324 3.518 0 40 DHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccn1 7688713 MIZDZYCNHVOKKF-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB COC(=O)c1c(C)[nH]c(-c2csc(-c3ccccn3)n2)c1C 7845249 XKRKLOUIOJRRFZ-UHFFFAOYSA-N 313.382 3.604 0 40 DHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(F)cc1F 8320416 LSZBISJNCIXSDX-AWEZNQCLSA-N 322.380 3.802 0 40 DHAB Cc1c(F)cccc1NC(=O)COC(=O)c1cccc(Cl)c1 8330328 HRJUQXPEAQVRKA-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1ccccc1N[C@@H]1SC(=O)N(c2ccccc2C)C1=O 8416186 VTSNPOYGZGTROP-OAHLLOKOSA-N 312.394 3.941 0 40 DHAB Cc1ccc(Oc2ccccc2NC(=O)C2=COCCO2)cc1 9050611 XUCBDOKIEHPOQX-UHFFFAOYSA-N 311.337 3.614 0 40 DHAB O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1 9483462 JHEZCULZKDSMMU-UHFFFAOYSA-N 302.736 3.890 0 40 DHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc(F)cc1 9828012 JESKWHXALSRMBY-UHFFFAOYSA-N 323.283 3.874 0 40 DHAB Cc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)c(C)c1 10215024 DGJSRSMTCLTASF-UHFFFAOYSA-N 307.401 3.948 0 40 DHAB COc1cc(Cl)c(NC(=O)c2ccccc2F)cc1OC 10427194 SBKXFBGARBTKNB-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB COc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)ccc1C 13002226 VNFYIZXJFKLEBD-UHFFFAOYSA-N 324.384 3.582 0 40 DHAB COc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1 15952635 ULIXOOTVKPGXGZ-UHFFFAOYSA-N 309.414 3.546 0 40 DHAB C[C@@H](Cc1ccccc1)NN1CCO[C@@H](c2ccccc2)[C@@H]1C 19170575 KBRSLPYGHGQKNS-ABSDTBQOSA-N 310.441 3.584 0 40 DHAB Cc1ccc(-n2cnc(C(=O)Nc3c(C)cc(C)cc3C)n2)cc1 19910582 ZUJRABXNCASEKS-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1 20137360 AHIIVHJWBJQGNK-UHFFFAOYSA-N 307.349 4.000 0 40 DHAB COc1ccc(-c2nc(COc3ccc(F)cc3F)no2)cc1 24046599 OEDJHSSQPMHBPG-UHFFFAOYSA-N 318.279 3.602 0 40 DHAB CON(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 24454561 ZBSPXUPJFSSAPK-UHFFFAOYSA-N 308.337 3.642 0 40 DHAB COc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccccc1 25314276 QFQLCUIMJDDHBI-INIZCTEOSA-N 310.397 3.934 0 40 DHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(F)cc1 26502161 JUGYTNOWLAPCFP-NWDGAFQWSA-N 305.324 3.610 0 40 DHAB Cc1ccc(C(=O)c2ccccc2C(=O)NC2CCCC2)cc1 32905366 JFYCDIQCCAGHEK-UHFFFAOYSA-N 307.393 3.898 0 40 DHAB COc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1OC 33408088 FLPVBIJYOCCOBV-JYRVWZFOSA-N 315.756 3.850 0 40 DHAB COc1cc(NC(=O)NCc2ccccc2Cl)cc(OC)c1 40097749 NEDODTGRKAIIJM-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccnc2)cc1 44889525 AZGRSDYAHPSYPK-QGZVFWFLSA-N 311.385 3.849 0 40 DHAB COc1ccccc1NC(=O)NCc1ccc(OC(C)C)cc1 45311505 YFLWRCPUSFGVPF-UHFFFAOYSA-N 314.385 3.804 0 40 DHAB Cc1cc(C)c(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c(C)c1 45951818 MMNODLYVTWRJBH-IRXDYDNUSA-N 317.477 3.996 0 40 DHAB Fc1ccc(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 49597266 DCJCFOVUOYVMLT-UHFFFAOYSA-N 318.355 3.923 0 40 DHAB C[C@H](NC(=O)CCCOc1ccccc1)c1ccc(F)cc1 49930136 AAWPBCPCDUUWEY-AWEZNQCLSA-N 301.361 3.862 0 40 DHAB C[C@@H]1CCc2sc(C(=O)N(C)Cc3cccnc3)cc2C1 49944992 WWVINSXRLQQKRN-GFCCVEGCSA-N 300.427 3.540 0 40 DHAB COc1cc([C@@H]2NCc3ccccc3-n3cccc32)ccc1F 55008569 ADKORIBAHBCONO-IBGZPJMESA-N 308.356 3.818 0 40 DHAB O=C1CCCN1CCc1nc(-c2ccccc2Cl)cs1 58791918 VZQNHQGHTFPVPU-UHFFFAOYSA-N 306.818 3.628 0 40 DHAB Cc1oc(-c2cccs2)nc1Cn1c(=O)oc2ccccc21 69485417 UZGJPJNFVHKCLS-UHFFFAOYSA-N 312.350 3.668 0 40 DHAB CS[C@H](C)C(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 69586613 YVTWTLKZHNPGQW-MLGOLLRUSA-N 318.417 3.520 0 40 DHAB CN1CCC[C@H](CSc2nnc(-c3ccc(Cl)cc3)o2)C1 69587117 XIWQXUYQIUFACG-NSHDSACASA-N 323.849 3.824 0 40 DHAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1csc(C2CC2)n1 76999375 ZOYPOFLUAACJSW-CVEARBPZSA-N 312.438 3.749 0 40 DHAB CC(C)C[C@@H](C)n1nccc1NC(=O)CCCc1ccccn1 79039092 XOICMXDTMJXATG-OAHLLOKOSA-N 314.433 3.847 0 40 DHAB CCN(CC)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 84770945 ZEMVHLYFSWUICA-OAHLLOKOSA-N 314.433 3.602 0 40 DHAB CC(C)[C@H](c1cccnc1)N(C)C(=O)Cc1c(F)cccc1F 87240793 SVIBPIPOPKGYPF-GOSISDBHSA-N 318.367 3.758 0 40 DHAB CCCn1c(CN2CCC(c3cc[nH]n3)CC2)nc2ccccc21 92810776 YUWOFSSZPOWXID-UHFFFAOYSA-N 323.444 3.549 0 40 DHAB Cc1cc(-c2noc([C@H]3CCCN3)n2)cc(C)c1OCC(C)C 95095428 LRJQWKGDDKZHSQ-OAHLLOKOSA-N 315.417 3.813 0 40 DHAB Cc1nc(CN(C)CC(=O)c2c(C)[nH]c3ccccc23)cs1 95393403 YNODYUNNFPHOPO-UHFFFAOYSA-N 313.426 3.556 0 40 DHAB COCCN(Cc1cccs1)C(=O)[C@H](C)c1cccs1 95399259 MXFKDOQYOIVSJQ-GFCCVEGCSA-N 309.456 3.588 0 40 DHAB COc1ccc2cc(C(=O)CC(C)(C)CC(=O)O)ccc2c1 95634435 OFPOIITYZBICNF-UHFFFAOYSA-N 300.354 3.922 0 40 DHAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl 95977884 SKVSTXYDDCMUNE-AWEZNQCLSA-N 321.783 3.796 0 40 DHAB CCC[C@@H](CN1CCC(c2nncn2C)CC1)c1ccccc1 95986580 SSCANUJBKVJHHZ-SFHVURJKSA-N 312.461 3.578 0 40 DHAB CCSc1ccccc1OC(=O)c1ccc([S@](C)=O)cc1 96408020 YFMRHXRIENFNED-OAQYLSRUSA-N 320.435 3.755 0 40 DHAB COc1ccc(C)c(NC(=O)NC[C@@H](C)c2nc(C)cs2)c1 97113378 JQBHFEBQWGLSAP-LLVKDONJSA-N 319.430 3.694 0 40 DHAB CC(=O)Nc1ccc(CNc2cnn(-c3ccccc3)c2C)cc1 97232495 JWYVXYVEIJETMO-UHFFFAOYSA-N 320.396 3.751 0 40 DHAB CC1(C)CC(=O)OC/C=C/C[C@H](Cc2ccccc2)C(=O)C1 104193651 OGKONHYBENQTGO-FYCOFBDGSA-N 300.398 3.724 0 40 DHAB CCc1ccc([C@H](C)NC(=O)Cc2ccc(OC)c(C)c2)cc1 224039334 HVDOHLOTNZZHIH-HNNXBMFYSA-N 311.425 3.986 0 40 DHAB CCCC(=O)Nc1c(C)nc(Oc2ccccc2F)nc1C 224335916 NUYYDPGMSKEGKB-UHFFFAOYSA-N 303.337 3.763 0 40 DHAB CC[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1)C(=O)O 224976269 JWMVZFJOCGRJSU-LBPRGKRZSA-N 319.430 3.725 0 40 DHAB COc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1F 225398332 ZRHZHTAAYJFMIU-UHFFFAOYSA-N 301.361 3.585 0 40 DHAB NC(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226236025 LEWNFQGOFOWEOW-UHFFFAOYSA-N 306.152 3.636 0 40 DHAB Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C 226275759 XRBNEHKOTPENKL-GFCCVEGCSA-N 314.351 3.899 0 40 DHAB C[C@@H]1CCN(C(=O)[C@H]2CC2(Cl)Cl)[C@H](c2ccco2)C1 252582041 ZRSZAQWZFHIODT-MXWKQRLJSA-N 302.201 3.773 0 40 DHAB COc1ccc(O)c(-c2nc(-c3csc(C(C)C)n3)no2)c1 585099432 GQIQRMASCJMBEQ-UHFFFAOYSA-N 317.370 3.698 0 40 DHAB C[C@@H]1Sc2ccccc2N(C(=O)c2ncc3ccccn23)[C@H]1C 1532418521 CAUCBCOSYSOLFD-STQMWFEESA-N 323.421 3.864 0 40 DHAB Cc1ccc2[nH]cc(-c3nnnn3-c3ccc(Cl)cc3)c2c1 88090 FWGJPKDVADMTSE-UHFFFAOYSA-N 309.760 3.772 0 40 DHAB c1ccc(COc2ccccc2CNCc2cccnc2)cc1 119153 NIAXBZLCBZKKRR-UHFFFAOYSA-N 304.393 3.950 0 40 DHAB O=C(N1CCC(Cc2ccccc2)CC1)C(Cl)(Cl)Cl 253558 ZCUQDQLAEJNCKU-UHFFFAOYSA-N 320.647 3.838 0 40 DHAB Cn1nnc2cc(NC(=O)Nc3cccc4ccccc34)ccc21 479338 BEBMGICPEOIUBD-UHFFFAOYSA-N 317.352 3.766 0 40 DHAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1cccs1 812382 ASCPBRDFAHLAHZ-UHFFFAOYSA-N 308.211 3.856 0 40 DHAB CN(C)[C@H]1CCC[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 2353819 KWBLUDBBNZTNOA-OALUTQOASA-N 323.436 3.844 0 40 DHAB CCCOc1cccc(C(=O)Oc2cc(=O)oc3ccccc23)c1 2360832 XLCALFJFHWGPQX-UHFFFAOYSA-N 324.332 3.801 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)c1cc(Cl)ccc1Cl 2628477 MGKLJYSZOKVHJE-UHFFFAOYSA-N 314.197 3.975 0 40 DHAB CN(CC(=O)Nc1cccc(Br)c1)c1ccccc1 3567506 NAGKMTJGXPALNM-UHFFFAOYSA-N 319.202 3.524 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 4610444 AUWMBBIBQMDFAH-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CC(C)COC(=O)Nc1nnc(/C=C/c2ccccc2)s1 4694983 GVDUZPNYZDTPSG-CMDGGOBGSA-N 303.387 3.913 0 40 DHAB Cc1cc(C)nc(SCC(=O)Nc2ccccc2C(C)C)n1 5126353 PZORXGKKQZTUEA-UHFFFAOYSA-N 315.442 3.948 0 40 DHAB CC(C)CC(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152744 FOORDFFKVJSPOF-KRWDZBQOSA-N 312.413 3.546 0 40 DHAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccccc1 5352508 PRZKCENWLOLNAM-UHFFFAOYSA-N 323.352 3.778 0 40 DHAB COc1cccc(CN(C)C(=O)c2cc(C)cc(C)c2)c1OC 6308706 ACPNHJPFRKXXKY-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 6331197 FTBWJTBXXOSUBR-XNTDXEJSSA-N 322.408 3.821 0 40 DHAB C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@]34C)[C@H]1CCC(=O)O2 6468572 CXFWIKINSICEBC-PNIXZDTESA-N 304.430 3.894 0 40 DHAB Cc1ccc(OCCSc2nnc(-c3ccco3)n2C)cc1 6477145 SEHCUJAZDJILRA-UHFFFAOYSA-N 315.398 3.555 0 40 DHAB C[C@@H](Sc1nnc2ccccn12)C(=O)c1ccc(Cl)cc1 7427625 SVLQZKIHVAOASF-SNVBAGLBSA-N 317.801 3.746 0 40 DHAB Cc1cccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1O 7700566 PSFWLAZOADHTBA-LBPRGKRZSA-N 323.348 3.610 0 40 DHAB O=C(O)c1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 8429625 BRSFVTLKUQGOLY-UHFFFAOYSA-N 315.325 3.991 0 40 DHAB CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8735222 CASSQKMQBOQWGA-UHFFFAOYSA-N 311.772 3.552 0 40 DHAB CCC1(CC)OC(=O)C(c2ccccc2)(c2ccccc2)C1=O 8878024 WVGZOHGFQKECFZ-UHFFFAOYSA-N 308.377 3.657 0 40 DHAB CCCC(=O)Nc1ccc2c(c1)N(CCC)C(=O)C(C)(C)CO2 8959642 NQTPGKULTTZHDH-UHFFFAOYSA-N 318.417 3.587 0 40 DHAB CCCCC(=O)Nc1nnc(/C=C/c2ccc(OC)cc2)s1 9357297 ZCCFRPHKOMGCMX-DHZHZOJOSA-N 317.414 3.846 0 40 DHAB Cc1cc(C)c2c(C)c(C(=O)NCc3ccccn3)sc2n1 10052243 ARKQEZJSXNFNPE-UHFFFAOYSA-N 311.410 3.547 0 40 DHAB O=C(Nc1ccc(C(=O)Nc2ccccn2)cc1)c1ccccc1 10343563 UXFAKAJRGUVXHU-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB C[C@H]1CCCN(C(=O)CSCc2c(F)cccc2Cl)C1 10541094 OGCPODOKAJJTRC-NSHDSACASA-N 315.841 3.971 0 40 DHAB COc1ccc(-c2c(C)nn3c(C)c(Cl)c(C)nc23)cc1 12115639 BRXVGKDXBOSNAJ-UHFFFAOYSA-N 301.777 3.984 0 40 DHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2)c1 12997420 TUSGDCLWRDETRB-UHFFFAOYSA-N 324.409 3.555 0 40 DHAB CC[C@@](O)(c1ccccc1)c1cnc(C)n1Cc1ccccc1 13281740 FLIYIFLGOGWACE-HXUWFJFHSA-N 306.409 3.886 0 40 DHAB CCOc1cc(NC(=O)c2cccc(C)c2)c(OCC)cc1N 13564046 KJQNHTZEXJBYLO-UHFFFAOYSA-N 314.385 3.627 0 40 DHAB CC(C)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 13947857 NLGBGRRJIVLPIT-UHFFFAOYSA-N 315.438 3.557 0 40 DHAB Cc1ccc(C)c([C@H](C)NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 14573281 WTBIZIOVUDECEG-KSSFIOAISA-N 323.392 3.782 0 40 DHAB CCCCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 16638794 PFHQCWYLINUFPA-UHFFFAOYSA-N 303.427 3.990 0 40 DHAB Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c(C)c1C 16780075 OLBITISXENOUQD-MEDUHNTESA-N 309.475 3.777 0 40 DHAB CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 17315968 GSHGSVMVQTVQCW-NSHDSACASA-N 304.340 3.774 0 40 DHAB CC(C)(C)OC(=O)NC[C@H](N)c1ccc(Cl)cc1Cl 19796211 CGCRUHRFBBMTQY-NSHDSACASA-N 305.205 3.518 0 40 DHAB CCOc1ccc2nc(NC(=O)C[C@H]3C=CCC3)sc2c1 20011266 ATRKCMFPZPLXTO-NSHDSACASA-N 302.399 3.990 0 40 DHAB O=C(CCC(=O)c1ccccc1)OCc1nc2ccccc2o1 21276760 JRNYQTJYHYWEED-UHFFFAOYSA-N 309.321 3.534 0 40 DHAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC(C)(C)C 22245660 GVADHFLQXUILNZ-UHFFFAOYSA-N 307.394 3.863 0 40 DHAB CC(C)(C)c1noc(Cn2c(C(F)(F)F)nc3ccccc32)n1 23107766 HWXZRUIAVHSYFE-UHFFFAOYSA-N 324.306 3.784 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccoc1C 24388462 AEYPUEKUBOMAEH-UHFFFAOYSA-N 323.396 3.663 0 40 DHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 24758969 NQGCXQLMKPGILI-SFHVURJKSA-N 308.381 3.704 0 40 DHAB CCc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)sc1C 27675617 QOBUCOGIKBKESC-CYBMUJFWSA-N 322.499 3.713 0 40 DHAB O=S(=O)(Nc1cccc2cnccc12)c1ccc(Cl)cc1 28248580 SVIHXNLSVUDCSL-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB C[C@H](NC(=O)[C@@H](C)n1cccn1)c1ccc(Cl)cc1Cl 28411558 PNPFXGSDPLTGRD-VHSXEESVSA-N 312.200 3.628 0 40 DHAB CCCCCNC(=O)C1CCN(Cc2ccccc2C)CC1 39758201 GFLTWSBGBOLGST-UHFFFAOYSA-N 302.462 3.513 0 40 DHAB O=C(Cc1cccs1)NCCc1ccc(C(F)(F)F)cc1 40159476 AIULHFJDCFELGH-UHFFFAOYSA-N 313.344 3.668 0 40 DHAB O=C(CCn1ncc2c(Cl)cccc21)Nc1ccc(F)cc1 40759317 DWYGKJBWAJRYGF-UHFFFAOYSA-N 317.751 3.858 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)n(C(C)C)c2C)no1 44633677 VIOFTKNPQRDJKS-KRWDZBQOSA-N 315.417 3.960 0 40 DHAB C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccccn1 44892317 JOGWAPPOUGUULJ-TZMCWYRMSA-N 301.415 3.751 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccc2[nH]ncc12 45956389 BSLSWTDIWPGZNT-HNNXBMFYSA-N 311.410 3.774 0 40 DHAB Cc1cc2cc(NC(=O)c3cc(=O)c4ccccc4o3)ccc2[nH]1 46366716 VNQBIMGKXRHDAM-UHFFFAOYSA-N 318.332 3.835 0 40 DHAB CCCCOc1ccc(OC)cc1NC(=O)NCc1ccoc1 47841193 CJXIHLQSAWIFFC-UHFFFAOYSA-N 318.373 3.789 0 40 DHAB CC(C)c1ccc2c(c1)CCCN2C(=O)CCCn1ccnc1 58010398 HQRJGZPQXYCYAV-UHFFFAOYSA-N 311.429 3.766 0 40 DHAB CCOCCCCNC(=O)Nc1ccccc1N1CCCCC1 58213165 AQRQTOFOAOJSIB-UHFFFAOYSA-N 319.449 3.615 0 40 DHAB Cc1nn(C)c(Oc2ccccc2)c1CNCc1ccsc1 58304936 QXIMOLSMAUAGGL-UHFFFAOYSA-N 313.426 3.872 0 40 DHAB Cc1ccc2c(c1)N=C1[C@@H](CC(=O)N1Cc1ccccc1)S2 59682033 YFHITIMSAWDOTL-MRXNPFEDSA-N 308.406 3.932 0 40 DHAB COc1ccc(C2(NC(=O)Nc3cccnc3)CCCC2)cc1 64345507 FNXZROGKFUPPFS-UHFFFAOYSA-N 311.385 3.681 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1 64476785 NTRAYDYFLPXGKM-UHFFFAOYSA-N 321.467 3.850 0 40 DHAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCc1ccccn1 69351708 CFLLXYBSBDSTRM-UHFFFAOYSA-N 323.223 3.680 0 40 DHAB CCOc1ccccc1C1CCN(C(=O)c2c[nH]cc2C)CC1 71841975 KKGRIMFGVWREDI-UHFFFAOYSA-N 312.413 3.742 0 40 DHAB CC(C)Oc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72211897 ZHJZBIFAISQFAC-CQSZACIVSA-N 306.406 3.941 0 40 DHAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2)cn1)C1CC1 72215334 AOQUQDNUUBTKBP-HNNXBMFYSA-N 317.433 3.800 0 40 DHAB Cc1nn(C)c(C)c1[C@H](C)NCc1csc(C(C)(C)C)n1 78553099 BBCDLWFIFMYSLP-JTQLQIEISA-N 306.479 3.642 0 40 DHAB Cc1cnc(C(C)(C)NC(=O)CSc2ccccc2)s1 79750089 XWPCSTVVPMCSED-UHFFFAOYSA-N 306.456 3.595 0 40 DHAB Cc1ccccc1[C@@H](NCc1ccc([S@](C)=O)cc1)C1CC1 84234909 BYFYPWOTIFWCAB-SIKLNZKXSA-N 313.466 3.973 0 40 DHAB Cc1cc(C(=O)CSC2=N[C@H](C)CS2)c(C)n1C1CC1 89524113 DRINSWQBSHJLIE-SECBINFHSA-N 308.472 3.847 0 40 DHAB Cc1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]2N 91302964 UQMQQMHXXSGSRR-HNNXBMFYSA-N 316.445 3.667 0 40 DHAB CCc1noc(CC)c1CC(=O)NCC1(CC)CCCCC1 95940987 FBOSNTITUYSCQE-UHFFFAOYSA-N 306.450 3.819 0 40 DHAB CC(=O)Nc1ccc(NCc2ccco2)c(Br)c1 95981711 FXPWATPGOYPFLZ-UHFFFAOYSA-N 309.163 3.613 0 40 DHAB Cc1c(CNC(=O)N[C@@H](C)c2nccs2)oc2ccccc12 96406865 KKACRNGJXRGTCH-NSHDSACASA-N 315.398 3.758 0 40 DHAB CC(C)n1cc(NC(=O)N(C)Cc2cc3ccccc3o2)cn1 96447229 ZDUXWLKIGRVVBO-UHFFFAOYSA-N 312.373 3.874 0 40 DHAB OC1(CCc2ccccc2)CCC(O)(Cc2ccccc2)CC1 96509982 UBVSBMXWOSZDOP-UHFFFAOYSA-N 310.437 3.898 0 40 DHAB COc1cccc(Cl)c1CC(=O)N(c1cccnc1)C(C)C 97142240 AARLJOSBXVUWPJ-UHFFFAOYSA-N 318.804 3.728 0 40 DHAB C[C@H](NC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]2CC[C@H]1C2 108340224 UUIVMXHCTVZZHI-PEDHHIEDSA-N 318.383 3.795 0 40 DHAB O=C(CCOCC(F)F)N1C[C@H]2CCCC[C@]21c1ccccc1 195579849 IOJBGTLEQDPSNI-QAPCUYQASA-N 323.383 3.586 0 40 DHAB Cc1ccc(C)c(CC(=O)Nc2nnc(SC(C)C)s2)c1 224798068 LLVZKJPNCGNIBA-UHFFFAOYSA-N 321.471 3.837 0 40 DHAB COC[C@@H](N[C@H](C)c1ccc(Br)o1)c1ccco1 225575395 IGXQGKMEMFCRFN-NXEZZACHSA-N 314.179 3.673 0 40 DHAB CC1(C)CC(=O)[C@H]2C(c3ccc(Cl)c(Cl)c3)=NN[C@@H]2C1 228978739 IHOACUOGBCJMIG-YPMHNXCESA-N 311.212 3.675 0 40 DHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251196440 FCFRVRISNPSYCB-YXAMBPQSSA-N 307.821 3.802 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)C1(c2ccccc2)CC1 257237212 HFPCAKXFTSMHIW-INIZCTEOSA-N 309.413 3.504 0 40 DHAB Cc1cccc(CN(C)Cc2cnc([C@@H]3CCCCO3)nc2)c1 257245254 IORKXOJNPBFPLZ-SFHVURJKSA-N 311.429 3.659 0 40 DHAB Cc1cn(C)c([C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 257276644 NUOPTTVKRXAHDD-CQSZACIVSA-N 323.362 3.737 0 40 DHAB COc1ccc(OCCCC(=O)NC(C(C)C)C(C)C)cc1 408706066 UOVNNNFHRYNXIH-UHFFFAOYSA-N 307.434 3.651 0 40 DHAB CO[C@H]1CCCN(C(=O)c2ccccc2Nc2ccc(C)cc2)C1 590289093 GMHAEYWVJAJBAI-KRWDZBQOSA-N 324.424 3.990 0 40 DHAB O=S(=O)(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257439 WHKCYHHZRANIAZ-KBPBESRZSA-N 323.845 3.746 0 40 DHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cccs1 1775968192 MUVRUIKJUWQSAS-LLVKDONJSA-N 319.407 3.533 0 40 DHAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccccc3C)C2)n1 1888864324 PJUSQMJTTSCOIL-KRWDZBQOSA-N 324.424 3.630 0 40 DHAB CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1 260536 IXNCYIBRZBXZJG-AWEZNQCLSA-N 324.808 3.536 0 40 DHAB Cc1ccccc1-c1nc2cc(NC(=O)[C@@H]3CCCO3)ccc2o1 367893 ARMWMPULEQIVSV-KRWDZBQOSA-N 322.364 3.921 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2cc(C)ccc2C)c1Cl 385501 MBHSJRGCAPGFPU-UHFFFAOYSA-N 305.809 3.895 0 40 DHAB Cc1nnc(SCc2ccc(Cl)cc2)n1C[C@H]1CCCO1 420995 XRGFNXPJOLIMCV-CQSZACIVSA-N 323.849 3.711 0 40 DHAB COc1ccc(-c2nc(-c3c(F)cccc3F)no2)c(OC)c1 426176 ACTGVBWNDGDKQG-UHFFFAOYSA-N 318.279 3.699 0 40 DHAB CCOc1ccc2[nH]c3c(N4C[C@@H](C)C[C@H](C)C4)ncnc3c2c1 536688 XWAYJNMEZYADDT-STQMWFEESA-N 324.428 3.992 0 40 DHAB CCOc1ccc(NC2=NCC(=O)N2c2cc(C)ccc2C)cc1 1360511 QZLUMSHCKZPJDM-UHFFFAOYSA-N 323.396 3.517 0 40 DHAB Cc1cc(N2C(=O)CCSC2=S)ccc1Br 1565567 ROZAJEVWOJJOPI-UHFFFAOYSA-N 316.245 3.512 0 40 DHAB CC(C)CC(CC(C)C)NCCOC(=O)Cc1ccccc1 1710533 MVWQJMBJJSUGPV-UHFFFAOYSA-N 305.462 3.823 0 40 DHAB CC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C 3296624 YUPIVVYONXIOID-UHFFFAOYSA-N 317.395 3.516 0 40 DHAB O=C1C[C@@H](c2cc(Cl)cc3c2OCOC3)Oc2ccccc21 4026308 ATMAPKQGVIOYHY-INIZCTEOSA-N 316.740 3.913 0 40 DHAB biogenic CCCCN(CCCC)C(=O)[C@H]1CC(=O)OC12CCCCC2 4110887 HCUJGJDBBBLUPM-OAHLLOKOSA-N 309.450 3.681 0 40 DHAB CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 4371762 JBYXRKBCOLNWRL-UHFFFAOYSA-N 307.390 3.924 0 40 DHAB Cc1cccc(C(=O)NC(=S)Nc2cccc3ncccc23)c1 4703808 VODLFVYQADXDSE-UHFFFAOYSA-N 321.405 3.670 0 40 DHAB CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1 5033747 OTGJFPWRFVWMIH-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N1CCc2ccccc21 5628814 OLMLDIRBHKXGEK-GFCCVEGCSA-N 324.405 3.898 0 40 DHAB CCCCOc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 5707790 UFOXSWTXTSVGFR-UHFFFAOYSA-N 308.381 3.873 0 40 DHAB COc1cc2c(cc1NC(=O)c1ccnn1C)oc1ccccc12 6219250 RIFUOJATYYBVJZ-UHFFFAOYSA-N 321.336 3.580 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2F)c1 6376979 XUWXPUBXIQVKIH-UHFFFAOYSA-N 311.234 3.698 0 40 DHAB Cc1ccc(C2=NNC(c3ccncc3)=Nc3ccccc32)cc1 6556720 ZQESHRHZIYHQFI-UHFFFAOYSA-N 312.376 3.824 0 40 DHAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1cccs1 6608196 HSOHNJCEFDPKHC-INIZCTEOSA-N 323.421 3.911 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2c(=O)[nH]1 7132489 LILHIUWVANCTFK-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB CCc1ccc(Nc2nc3ccccc3c3nnc(C)n23)cc1 7500055 BHMLKILZSPPWJI-UHFFFAOYSA-N 303.369 3.892 0 40 DHAB Clc1ccc(-c2nc(CSc3ncn[nH]3)cs2)cc1 7603716 MPJSILWLBGWQEJ-UHFFFAOYSA-N 308.819 3.874 0 40 DHAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ncn[nH]1 8236235 BWSFDRFMQZPPFE-UHFFFAOYSA-N 318.446 3.782 0 40 DHAB CC[C@H](CO)NCc1ccccc1OCc1ccc(Cl)cc1 8337136 BDVAVLGXDKQPIE-QGZVFWFLSA-N 319.832 3.780 0 40 DHAB Cc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c(C)c1 8369075 MMUKXHLFDAWAGW-UHFFFAOYSA-N 308.425 3.875 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1F 8388377 JASYOVXPBNXATJ-UHFFFAOYSA-N 323.371 3.558 0 40 DHAB CCCCCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C 8714646 BAPLEQLDDYYUFY-UHFFFAOYSA-N 313.463 3.641 0 40 DHAB CSc1ccc(-c2noc(CCc3c(C)n[nH]c3C)n2)cc1 8991110 OWXDLQKLLNIPRB-UHFFFAOYSA-N 314.414 3.584 0 40 DHAB O=C(NCc1ccc(OC(F)F)cc1)c1cc2ccccc2[nH]1 11509066 GXYFPKNFXSMFST-UHFFFAOYSA-N 316.307 3.699 0 40 DHAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(O)nc1 12536701 XWNXBFFFTHBDJD-UHFFFAOYSA-N 305.337 3.783 0 40 DHAB CC(C)c1ccc(NC(=O)CCNC(=O)c2cccs2)cc1 12784932 NYSWSHSJQPQIGI-UHFFFAOYSA-N 316.426 3.630 0 40 DHAB CC(C)(C)c1n[nH]c(SCC(=O)c2ccc3c(c2)CCC3)n1 12980611 DLWMMQOZOYETLV-UHFFFAOYSA-N 315.442 3.566 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2c(C)cc(C)cc2C)c1 20447898 YLRXCDQPZYWPHG-UHFFFAOYSA-N 313.397 3.810 0 40 DHAB O=C(NCc1ccco1)c1ccccc1C(=O)c1cccs1 25704651 DNHUDHAWHLAMQS-UHFFFAOYSA-N 311.362 3.502 0 40 DHAB Cn1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccccc21 27924124 LMTAGNYMVHFDAM-UHFFFAOYSA-N 319.286 3.844 0 40 DHAB CCC(C)(C)C1CCC(NC(=O)c2ccc3[nH]nnc3c2)CC1 30225236 FEVLNMYBAVNSAQ-UHFFFAOYSA-N 314.433 3.683 0 40 DHAB COc1ccccc1C(=O)N(Cc1cccc2[nH]ccc12)C1CC1 32097011 QZOBIILFPVEZDL-UHFFFAOYSA-N 320.392 3.981 0 40 DHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@@H]1CC=CCC1 32776643 XGPQOWHPUHBKNG-PBHICJAKSA-N 301.386 3.539 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 36635444 BLBSFYPPCWAPKQ-SFHVURJKSA-N 322.408 3.664 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)NCCCn1ccc2ccccc21 40024101 GBGIXIBFRDMTOM-DOTOQJQBSA-N 313.445 3.909 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)o1 40159491 WVKHQYDNTJFWBE-CYBMUJFWSA-N 321.804 3.976 0 40 DHAB c1ccc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)cc1 40174579 VEQAWJXOQKVNEM-UHFFFAOYSA-N 307.382 3.640 0 40 DHAB COc1ccc([C@@H](O)c2ccccc2Br)c(C)c1 40246175 MVLFMVNIWPKOJD-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 40297230 ICIXDQGVHOGJGB-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB CCc1ccccc1NC(=O)c1cc2c(cc1C)OCCCO2 46077881 OEFHRYXIJKLCJI-UHFFFAOYSA-N 311.381 3.971 0 40 DHAB CCCCNC(=O)[C@H](C)N(C)Cc1csc2ccccc12 52806125 RGRMVRDKVUJZKI-ZDUSSCGKSA-N 304.459 3.638 0 40 DHAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1 54583590 XEXKQQSFZPIIMF-XHDPSFHLSA-N 322.330 3.583 0 40 DHAB Cc1cc(=O)oc2c3c(ccc12)OCN(C1CCCCCC1)C3 57142622 VMAFOXIALGTMLM-UHFFFAOYSA-N 313.397 3.976 0 40 DHAB CC(C)N(C)Cc1ccccc1CNC(=N)Nc1ccccc1 57888027 XKWHQRDXWOIZHX-UHFFFAOYSA-N 310.445 3.663 0 40 DHAB CCOc1ncccc1NC(=O)N[C@@H](c1ccccc1)C1CC1 58086257 BTLUYZKMDQESRE-INIZCTEOSA-N 311.385 3.753 0 40 DHAB Clc1snnc1CSc1ccc(Br)cn1 58161604 STDRZLIFKWKCOB-UHFFFAOYSA-N 322.640 3.641 0 40 DHAB Cc1cc(NC(=O)[C@H](C)SCc2ccc(Cl)s2)no1 71794080 JTDFUHALTHEUPV-QMMMGPOBSA-N 316.835 3.958 0 40 DHAB Cc1oc(-c2ccsc2)nc1CN[C@H](C)[C@@H](C)n1cccn1 71882091 JLCKUUIPVBODSH-VXGBXAGGSA-N 316.430 3.647 0 40 DHAB C[C@@H]1SCCN(Cc2nnc(-c3ccccc3Cl)o2)[C@H]1C 71911153 PIMVHAPQPRLHEI-QWRGUYRKSA-N 323.849 3.716 0 40 DHAB O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72273256 UKGLRILMPORELL-IRXDYDNUSA-N 323.440 3.626 0 40 DHAB Cc1cccc2c1C(=O)N[C@H](c1ccc(-c3cccnc3)o1)N2 72302522 OZEPRYLWDBXERU-QGZVFWFLSA-N 305.337 3.504 0 40 DHAB CCc1nccn1-c1cccc([C@@H]2CCCN(C3CCCC3)C2)n1 72379134 LCAFLKJYMQACOZ-MRXNPFEDSA-N 324.472 3.952 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc3ccccc3s2)C1 78619938 SANLPVCSNFPVIV-LLVKDONJSA-N 319.430 3.718 0 40 DHAB CC(C)(CNC(=O)CCCn1cccc1)c1cccc(F)c1 84326036 AWGOPPPGIQENGB-UHFFFAOYSA-N 302.393 3.501 0 40 DHAB Cc1cc(CNc2ccc(N3CCOC3=O)cc2)ccc1F 89587765 BXAMNNSCNPIDGH-UHFFFAOYSA-N 300.333 3.703 0 40 DHAB O=C(NC[C@@H](O)c1cccs1)c1c(Cl)cccc1Cl 89768016 CEVLLVSINUHPEB-SNVBAGLBSA-N 316.209 3.518 0 40 DHAB C[C@H](NCc1cc(C(F)(F)F)ccc1Cl)c1cnn(C)c1 95435698 LBPSEFQGQWSILN-VIFPVBQESA-N 317.742 3.943 0 40 DHAB CC(C)c1sc(Cl)nc1C(=O)N[C@@H]1CCOC(C)(C)C1 95480239 QJGGHGZGWAKKTM-SECBINFHSA-N 316.854 3.607 0 40 DHAB FC(F)(Br)C(F)(F)C(F)(F)Br 95864635 JUBPKZOWXSVBAO-UHFFFAOYSA-N 309.829 3.597 0 40 DHAB C[C@H](Cc1ccsc1)Nc1ccc2c(c1)NC(=O)CS2 95990540 WPCNWKOCUGQEKG-SNVBAGLBSA-N 304.440 3.835 0 40 DHAB CO[C@@](C)(CNC(=O)/C=C/c1cccs1)c1ccccc1F 96123456 DYAJMDKMBDRTLJ-FVNWOWOISA-N 319.401 3.578 0 40 DHAB C[C@@H]1CCN(C(=O)[C@@H]2CC2(Cl)Cl)[C@@H](c2ccco2)C1 96441244 ZRSZAQWZFHIODT-OUAUKWLOSA-N 302.201 3.773 0 40 DHAB Cc1ccc(CNC(=O)N(C)C[C@@H](C)c2nccs2)cc1F 96501906 NSUYYTLIPKCVDM-GFCCVEGCSA-N 321.421 3.536 0 40 DHAB CC[C@H](N[C@@H](C)c1nnc(C)o1)c1ccc(Br)cc1 97033001 ZQZJYIWZZZBWAS-ZANVPECISA-N 324.222 3.942 0 40 DHAB CC(=O)c1ccc(NC(=O)Nc2ccc(O)cc2)cc1Cl 97104826 OYFUGZJTDJAREW-UHFFFAOYSA-N 304.733 3.892 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 139802618 CZNWBRFTFOBTDG-ZDUSSCGKSA-N 301.390 3.677 0 40 DHAB Cc1nccn1CCCCN[C@H]1CCCOc2cc(F)ccc21 182097592 GLQLVOPPHCCPQJ-KRWDZBQOSA-N 317.408 3.614 0 40 DHAB CCNC(=O)c1cc(N)ccc1Nc1ccc(C)c(Cl)c1 225474136 HEZGMLDQWNXCRL-UHFFFAOYSA-N 303.793 3.724 0 40 DHAB O=C(O)[C@H]1C[C@@H](C(F)(F)F)CC2(C1)SCCCS2 225757969 SMMPSZKHQIZEAF-JGVFFNPUSA-N 300.367 3.616 0 40 DHAB C[C@@H](NC(=O)c1snnc1-c1ccccc1)c1ccccc1 225758669 IAMYFPXWCAPXML-GFCCVEGCSA-N 309.394 3.696 0 40 DHAB CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 248197444 RFOUKTSPOZSMEZ-AJNGGQMLSA-N 303.450 3.581 0 40 DHAB CC[C@@H]1C[C@H](NC(=O)NCc2ccccc2CC(C)C)CCO1 528020865 DRBNPWXDAWEQNA-QZTJIDSGSA-N 318.461 3.642 0 40 DHAB C[C@@H](C(=O)O)c1cccc(NC(=O)[C@H]2CCc3ccccc3C2)c1 581731146 MDPHTWZUHMZEFS-DYVFJYSZSA-N 323.392 3.618 0 40 DHAB COc1cc(C)c([C@@H](C)Nc2nccc3nccnc23)cc1OC 585114045 ZHZFVCQTCMEMMF-GFCCVEGCSA-N 324.384 3.524 0 40 DHAB CN(c1ccccn1)C1CCN(c2ccnc3ccccc23)CC1 1889199854 YWLKVSZBXHFXDD-UHFFFAOYSA-N 318.424 3.735 0 40 DHAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCCCC1 212192 YJIJWKMUBGQTJC-MRXNPFEDSA-N 320.864 3.565 0 40 DHAB COc1cc2ccnc(Cc3ccc4c(c3)OCO4)c2cc1OC 1583139 FLQMVWIFVMVFCS-UHFFFAOYSA-N 323.348 3.572 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)C1(c2ccccc2)CCCC1 2512610 FWZWNLAEHMXXFA-UHFFFAOYSA-N 309.365 3.866 0 40 DHAB O=C(/C=C/c1ccc(SC(F)F)cc1)NCc1ccccn1 3183963 WYHPKSBUPZLYMP-RMKNXTFCSA-N 320.364 3.726 0 40 DHAB COc1ccc(Nc2nnc(SC[C@H]3CCCO3)s2)cc1 3422418 ZMCQAFTVQZUFGZ-GFCCVEGCSA-N 323.443 3.561 0 40 DHAB COc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 4271849 SGHCYLJWENEXQH-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB CCCCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1 4590829 KBWBDMPOMQHZSG-UHFFFAOYSA-N 306.391 3.533 0 40 DHAB CCCCN(C)C(=O)C1CCN(C[C@@H](C)c2ccccc2)CC1 4690959 IWIMDZATQLJJPZ-QGZVFWFLSA-N 316.489 3.761 0 40 DHAB COc1ccc(C(=S)NCc2ccccc2Cl)cc1OC 4726293 HNQUGJYWJKLURC-UHFFFAOYSA-N 321.829 3.823 0 40 DHAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@@]21C 4817347 LBVYROVGMKPJAU-HXUWFJFHSA-N 306.409 3.543 0 40 DHAB Cc1ccc(C(=O)[C@H](C)n2nc(-c3cccs3)ccc2=O)cc1 4986582 WPGDZAQHYUQRBM-ZDUSSCGKSA-N 324.405 3.724 0 40 DHAB Cc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)c(O)c1 5226527 VPAMHPTWAXQWLR-UHFFFAOYSA-N 309.321 3.713 0 40 DHAB CCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)CC)C2 5916317 XXDBSKRILMQPJV-SNVBAGLBSA-N 322.474 3.737 0 40 DHAB CNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 6228501 VVPPIFAGOAUIGZ-UHFFFAOYSA-N 319.320 3.509 0 40 DHAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccccc2)n1 6786040 KUARIARTFONESD-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 7052674 ZBGIWAZLDQFJQR-UHFFFAOYSA-N 315.316 3.815 0 40 DHAB O=C(COc1ccccc1F)Nc1ncc(Cl)cc1Cl 7167278 UAUUHYDRZFYRGP-UHFFFAOYSA-N 315.131 3.545 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)cc1 7944169 JJDRBYKJBYYHKK-IBGZPJMESA-N 320.392 3.898 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)ccc1OC 8041737 CTZIHTWZUTXTDW-HNNXBMFYSA-N 317.360 3.939 0 40 DHAB Cc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)no1 8280416 BRCIKPYDXIIIFQ-UHFFFAOYSA-N 324.365 3.612 0 40 DHAB COc1ccc(CNCc2ccccc2Cl)c(OC)c1OC 8473552 QUYGPIGGRITUTO-UHFFFAOYSA-N 321.804 3.656 0 40 DHAB Cc1ccc(NCc2ccc(C(=O)O)o2)c(Br)c1 8702242 DSPYJGXIJOVSHT-UHFFFAOYSA-N 310.147 3.661 0 40 DHAB C[C@H]1CCc2n[nH]c(-c3nc(-c4ccccc4Cl)no3)c2C1 9421129 SMAGGSHSQFMUBJ-VIFPVBQESA-N 314.776 3.905 0 40 DHAB O=C1CCC[C@@H]1Sc1nnc(-c2ccccc2F)n1C1CC1 12813594 FHSMMJUEKYHXLH-AWEZNQCLSA-N 317.389 3.633 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12814866 VJQSEPFDIBUGOG-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB CC(C)c1ccccc1NC(=O)CCCNC(=O)c1ccco1 12892312 QHBZLZYSSPWBGN-UHFFFAOYSA-N 314.385 3.552 0 40 DHAB CSc1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1 16248738 GBVOWXPFFLDYLX-PTNGSMBKSA-N 310.378 3.506 0 40 DHAB CCCCCS(=O)(=O)Nc1cc(-c2ccccc2)ccc1O 16638635 AMCKZVAYPNGWKK-UHFFFAOYSA-N 319.426 3.991 0 40 DHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2[nH]cnc2c1 17064550 GJFPTLIDNVYUHX-UHFFFAOYSA-N 319.286 3.512 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)Nc1c(F)cccc1F 20492390 SWTFCSXJZCMEIJ-LLVKDONJSA-N 305.324 3.933 0 40 DHAB CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1 20904049 SBMHAYWLFSSPMH-UHFFFAOYSA-N 309.369 3.581 0 40 DHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(N(C)C)c1 21836799 LIVRPTLAXAFXPW-ZDUSSCGKSA-N 300.377 3.725 0 40 DHAB Cc1sc2nc(SC[C@@H]3CCCCO3)nc(N)c2c1C 23107781 BJTCVXVKUORADR-JTQLQIEISA-N 309.460 3.552 0 40 DHAB Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[nH]c2c1C(=O)CC(C)(C)C2 25594752 PAOOMKRXZLMZHX-TXEJJXNPSA-N 316.445 3.596 0 40 DHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCc2ccccc2C1 26227483 YYFMBYPBNJHFFH-GFCCVEGCSA-N 311.410 3.917 0 40 DHAB Fc1cc2c(c(CSc3ncc4ccccn34)c1)OCOC2 27433812 QRNONORULGZIQP-UHFFFAOYSA-N 316.357 3.632 0 40 DHAB COC[C@@H](C)NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 27471618 SQEVXADPUQTUOM-SECBINFHSA-N 324.833 3.537 0 40 DHAB O=C(COc1ccccc1Cl)Nc1ccnn1C1CCCC1 27664183 CPWIJEDBBLGBAB-UHFFFAOYSA-N 319.792 3.669 0 40 DHAB CCN(CC)[C@H](CNC(=O)c1cccc(C)c1)c1ccccc1 28291878 DNIHMFUCJATLTQ-LJQANCHMSA-N 310.441 3.808 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1CCCCCC1 28297074 OMGZEVTXRRUVFX-SFHVURJKSA-N 314.473 3.803 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 30858412 DBUJYKQXJOFJPN-GFCCVEGCSA-N 303.789 3.769 0 40 DHAB Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1ccccc1 32530664 TWVZNRYQEXDQQM-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB CN(Cc1cccc(Cl)c1Cl)c1cc(Cl)nc(N)n1 32778779 CHUZLUPGSKSISX-UHFFFAOYSA-N 317.607 3.655 0 40 DHAB O=C(CNC1CCCCC1)NC(c1ccccc1)c1ccccc1 35311551 ZHAJWOSUBICKOH-UHFFFAOYSA-N 322.452 3.815 0 40 DHAB O=C(Nc1nccs1)N[C@@H]1CCSc2ccc(F)cc21 42754918 GXNQUXRVVUHNSP-SNVBAGLBSA-N 309.391 3.641 0 40 DHAB Cc1cc(OC[C@H]2CCNC2)c(Br)c(C)c1Cl 42770272 CQNOWUVPNZTBSY-JTQLQIEISA-N 318.642 3.708 0 40 DHAB O=C(CCCc1ccc(Cl)c(Cl)c1)NC1=NCCS1 48221917 GLIFGRWOIKQACW-UHFFFAOYSA-N 317.241 3.535 0 40 DHAB CC(C)Oc1cccc([C@H]2SCC(O)=Nc3c2cnn3C)c1 49546986 HWMABICSWMHMEI-OAHLLOKOSA-N 317.414 3.632 0 40 DHAB O[C@@H]1CCCC[C@H]1NCc1ccc(SC(F)(F)F)cc1 51991164 UDBLNKWMZORIJP-CHWSQXEVSA-N 305.365 3.692 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(OC(C)C)cc1F 52265399 HCPFTDMAGNEIGD-CYBMUJFWSA-N 324.396 3.503 0 40 DHAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 55675404 VWNDWVPNHBDJQI-UHFFFAOYSA-N 307.390 3.658 0 40 DHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 58183702 CYAZDZCKJXCXFN-HLLBOEOZSA-N 301.434 3.556 0 40 DHAB CCc1cc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)[nH]n1 58265768 ADLOILVAJPZXEZ-UHFFFAOYSA-N 324.384 3.507 0 40 DHAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C)ccc3C)CC2=O)c1 59227273 SGRIHNQZLGDXQS-INIZCTEOSA-N 322.408 3.603 0 40 DHAB Cc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)on1 70888269 DCBWPRVMLFIUOA-UHFFFAOYSA-N 318.423 3.949 0 40 DHAB O=C(COCC1CC1)N[C@H](CCc1ccccc1)c1ccccc1 71805104 ISOQQZHMXDNXAJ-HXUWFJFHSA-N 323.436 3.903 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1ccc[nH]1 71818744 FVNYWFPVBRKEGN-HNNXBMFYSA-N 322.330 3.940 0 40 DHAB CCCOc1ccc([C@@H](C)N[C@@H](C)c2nnc(C)o2)cc1OC 72281404 VBJCLMFNRHYJPY-NEPJUHHUSA-N 319.405 3.587 0 40 DHAB O=c1ccn(Cc2cc(-c3ccccc3)no2)c2ccccc12 72294838 SOGZRYOIXHTZEQ-UHFFFAOYSA-N 302.333 3.705 0 40 DHAB CC1(C)CC[C@@H](NCc2cccc(C(N)=O)c2)c2ccccc21 78967056 VLTBWBQZNPWOMB-GOSISDBHSA-N 308.425 3.688 0 40 DHAB CCOc1ccc([C@@H]2CCCN2CCCc2nc(C)no2)cc1 78970880 ZNSLKXJNDDOBIY-KRWDZBQOSA-N 315.417 3.546 0 40 DHAB CCOC(=O)Cc1cc2ccccc2n1C(=O)OC(C)(C)C 79063897 LOCIXTWDTYHEJG-UHFFFAOYSA-N 303.358 3.530 0 40 DHAB CO[C@@H](C)c1cccc(NCc2noc(Cc3ccccc3)n2)c1 86205411 OQKFRNTWWMTNLS-AWEZNQCLSA-N 323.396 3.980 0 40 DHAB Cc1cnc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)s1 89702426 RSKXIPISYPAGHD-SKDRFNHKSA-N 323.443 3.507 0 40 DHAB O=C(Cc1cc(F)ccc1F)Nc1c(F)cccc1NC1CC1 89768178 NKBKPBUFCVPPTJ-UHFFFAOYSA-N 320.314 3.859 0 40 DHAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc2cc[nH]c12 89894755 PUJHMSOUIZLPSX-NSHDSACASA-N 312.394 3.621 0 40 DHAB O=Cc1c(Cl)ncnc1Nc1ccc(OC(F)(F)F)cc1 90826298 RJKBQZGBVXMAOR-UHFFFAOYSA-N 317.654 3.585 0 40 DHAB CC(C)N(C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1 96061658 UNVSAPKLPDXXFD-UXHICEINSA-N 312.457 3.805 0 40 DHAB CC[C@@H](C(=O)NC[C@@H](OC)c1ccsc1)c1ccccc1 96097384 PEPMGOGILRITFG-HZPDHXFCSA-N 303.427 3.746 0 40 DHAB CS[C@H]1CC[C@H](NCc2c(C3CC3)nc3sccn23)C1 96494369 KZVRWVVVBBOMBH-RYUDHWBXSA-N 307.488 3.647 0 40 DHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Cl)cc1)n2C 100812028 JVKAIFKOUMUIEO-FBMGVBCBSA-N 316.813 3.943 0 40 DHAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1F 101084772 TUUPFRMOZOQJLW-MAUKXSAKSA-N 312.344 3.904 0 40 DHAB COc1cc(CN2CCC[C@H]2c2csc(C)n2)ccc1O 194997841 NTRADKIHLORKTG-AWEZNQCLSA-N 304.415 3.503 0 40 DHAB O=C(CCc1ccccc1Br)N1[C@H]2C=CC[C@H]1CC2 208018836 BLKUZEISUROIKD-KBPBESRZSA-N 320.230 3.701 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2cc(C)ccc2C)cc1 219276194 OJXCBCMKGAFWID-QGZVFWFLSA-N 311.425 3.738 0 40 DHAB CCCNC(=S)Nc1ncc(Br)c(C)c1Cl 223870508 XNLZRCRKNAMMIE-UHFFFAOYSA-N 322.659 3.502 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1C 224603299 SRCNCQXADFOVRM-OAHLLOKOSA-N 315.388 3.569 0 40 DHAB CCOc1ccc(CNC(=S)Nc2cccc(F)c2)cc1 225430425 OIVHJEJCCZCFFK-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB CCCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)N[C@H](C)CC 225491006 VTVLMQCEQYBMCG-NVXWUHKLSA-N 318.461 3.509 0 40 DHAB CC(C)CCNC(=O)c1snnc1-c1ccc(Cl)cc1 225771630 YBUIYIOPIAOCIK-UHFFFAOYSA-N 309.822 3.634 0 40 DHAB NC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3Cl)nc2c1 226236189 VLPZZMMKWDVULC-UHFFFAOYSA-N 306.152 3.636 0 40 DHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 250464628 FGLOMJVAZHMBEL-QBYUYEEZSA-N 301.430 3.882 0 40 DHAB Cc1cnc(NC(=O)c2ccc(Cc3ccccc3)nc2)s1 257207981 BKEFBRWYUBGISZ-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB CCCC(=CC(=O)N[C@H](C)c1ncc(C(=O)OC)s1)CCC 521395793 BAMVDAKLAOPOAQ-LLVKDONJSA-N 324.446 3.634 0 40 DHAB O=C(NCc1cncc(-c2ccoc2)c1)c1cc2ccccc2[nH]1 575620362 MILWWAOZHXPMAP-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB c1ccc2c(c1)ncn2[C@H]1CCN(c2cc(C3CCC3)ncn2)C1 585149341 KOZZWAKUHDATCW-HNNXBMFYSA-N 319.412 3.545 0 40 DHAB FC(F)(F)c1cccnc1N1CC(n2cnc3ccccc32)C1 1775974905 WKZVEQAAWUVQHC-UHFFFAOYSA-N 318.302 3.511 0 40 DHAB Cc1cc(C)[n+](-c2ccccc2)c2cc(-c3ccccc3)nn12 124373 GDRQGQBFXPPRRH-UHFFFAOYSA-N 300.385 3.895 0 40 DHAB CCOC(=O)c1c(C)n(C)c2cc(Br)c(C)cc12 227384 VWPZQMBEIQDTMV-UHFFFAOYSA-N 310.191 3.734 0 40 DHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 230727 GEWQSEDFRMSOAE-JTQLQIEISA-N 322.257 3.947 0 40 DHAB O=C(O)C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 249092 GALFHKTZOYSLSQ-ZDUSSCGKSA-N 317.772 3.612 0 40 DHAB COc1cccc(-c2cnc(NCc3ccc(F)cc3)n2C)c1 819155 DFAICZYWKDHKBR-UHFFFAOYSA-N 311.360 3.847 0 40 DHAB O=C(/C=C/c1ccco1)OCc1ccc(Br)cc1 3239857 YARUDLJRVCSJCG-BQYQJAHWSA-N 307.143 3.799 0 40 DHAB O=C(CSc1ncccn1)Nc1ccccc1-c1ccccc1 3466690 HQDFKRAYTCDLKG-UHFFFAOYSA-N 321.405 3.874 0 40 DHAB CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)cc1 4937887 UGMHKWIAHCIHKN-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB COC(=O)c1cc2c(ccn2C)n1Cc1ccc(C(C)C)cc1 5000630 QLKFIKOKNCCDNY-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB CCN1C(=O)/C(=C/c2cc(C)n(CCOC)c2C)c2ccccc21 6953644 OCLXIWQCRXFQOR-QGOAFFKASA-N 324.424 3.658 0 40 DHAB Cc1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1 7756211 OVJUNSGKMNLOBI-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB O=C(Cc1ccccc1)NCCCc1nc2ccccc2s1 8327138 AOUQVYZHFISHHZ-UHFFFAOYSA-N 310.422 3.588 0 40 DHAB CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 8615389 PWVLZAWWMIOCEB-NYGAZZEESA-N 317.473 3.726 0 40 DHAB O=Cc1ccc(OCCCSc2nc3ccccc3[nH]2)cc1 8701323 GKXRJLRNCKRFOD-UHFFFAOYSA-N 312.394 3.937 0 40 DHAB CC1CCN(CCOCCOc2ccccc2OC(C)C)CC1 8734941 QRESYCIMZVWFHY-UHFFFAOYSA-N 321.461 3.601 0 40 DHAB Cc1nc(/C=C/C(=O)Nc2ccc(OC(F)F)cc2)cs1 8924433 QORWBLAPEUFUNA-QPJJXVBHSA-N 310.325 3.705 0 40 DHAB Cc1ccc2c(c1)CCCN2Cc1nnc(-c2ccccc2)o1 9322043 RZMRUHNNCQNAIP-UHFFFAOYSA-N 305.381 3.998 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1F 9367328 CRIQDHSWTIOMMX-UHFFFAOYSA-N 311.360 3.685 0 40 DHAB Cc1cc(CSc2nnc(NC3CCCCC3)s2)on1 9607474 FJNXBNHILIZCKK-UHFFFAOYSA-N 310.448 3.871 0 40 DHAB COc1ccccc1-c1noc(CNc2ccc(C)c(F)c2)n1 11163840 PNYMAFLUKZWHLB-UHFFFAOYSA-N 313.332 3.805 0 40 DHAB O=C(Nc1cccc(C2OCCCO2)c1)C1(c2ccccc2)CC1 12376037 OBGCGYVUZRKCOW-UHFFFAOYSA-N 323.392 3.792 0 40 DHAB C=Cc1ccc(COC(=O)c2nnn(-c3ccccc3)c2C)cc1 12415699 JJKUGCCPNNWHEZ-UHFFFAOYSA-N 319.364 3.576 0 40 DHAB C[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@@H](C)O1 12536330 GURQSQVNVBEDBZ-HUUCEWRRSA-N 310.397 3.680 0 40 DHAB CCCCCc1nnc(NC(=O)c2ccc[nH]c2=S)s1 12741802 UQJDXOMLKJLZLX-UHFFFAOYSA-N 308.432 3.581 0 40 DHAB C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)n1cccn1 12850650 QVQCREPQTQYWTK-OAHLLOKOSA-N 305.381 3.674 0 40 DHAB CC(=O)c1ccc(NC(=S)N(C)CCc2ccccc2)cc1 13577430 BSQVAUVLNCQQIE-UHFFFAOYSA-N 312.438 3.761 0 40 DHAB NC(=O)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1 13798559 KDWPHFSPSVGHCF-UHFFFAOYSA-N 321.405 3.748 0 40 DHAB CCCc1cc(C(=O)NC2(c3ccccc3F)CCCC2)[nH]n1 13996076 JCRHHTDIUBNTIW-UHFFFAOYSA-N 315.392 3.701 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc3cccnc23)c1 14169265 FUWOYSHQYZTUNW-UHFFFAOYSA-N 320.348 3.582 0 40 DHAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1F 14255892 GYAWCZYPMLXFDU-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB C[C@@H](CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 15176484 KSYKRCJQEWSZJR-HNNXBMFYSA-N 322.408 3.946 0 40 DHAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccccc1F)CC3 15842002 HDKCVWHBJKUROR-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccccc1 20045179 CWQYRUDHXITVEJ-KSSFIOAISA-N 313.397 3.730 0 40 DHAB CCOCCCNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 20481945 NECLRESJGZFQEF-CQSZACIVSA-N 315.866 3.754 0 40 DHAB Cc1cccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 24691123 NKZXCPGDWXYISH-INIZCTEOSA-N 309.413 3.643 0 40 DHAB O=C(c1cc2ccccc2o1)N1CCO[C@@H](c2ccccc2)C1 30765085 QTCPTDAAIICHTI-GOSISDBHSA-N 307.349 3.647 0 40 DHAB C[C@H](Sc1ccccc1)C(=O)NCCSCc1ccco1 31252157 RYUPSNKZLFOLMZ-ZDUSSCGKSA-N 321.467 3.810 0 40 DHAB CC[C@@H](NC(=O)Cc1c(C)noc1C)c1ccc(Cl)cc1 37136430 DFCGYUYNDAPIGY-OAHLLOKOSA-N 306.793 3.755 0 40 DHAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCCC1 40165616 BQBONJLNPUQVBX-UHFFFAOYSA-N 318.804 3.974 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(=O)c2ccccc2o1 40457554 YFLIGNXEWOBGOW-UHFFFAOYSA-N 319.360 3.694 0 40 DHAB CC(C)Oc1ccc(CNC(=O)/C=C/c2ccc(F)cc2)cc1 44903770 XPOFHKXSIPXQFD-KPKJPENVSA-N 313.372 3.943 0 40 DHAB CC(C)Oc1ccc(CNC(=O)CCCc2cccs2)cn1 48333581 LRVUBKATHMENTC-UHFFFAOYSA-N 318.442 3.569 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)Nc1cc(F)ccc1Cl 51354467 CUFQDUROHRZKOS-UHFFFAOYSA-N 308.696 3.852 0 40 DHAB CC(C)N(Cc1ccccn1)C(=O)CCc1cc(F)ccc1F 56097904 BNCGITIQSIXLAP-UHFFFAOYSA-N 318.367 3.730 0 40 DHAB CSc1ccc([C@H](C)NC(=O)CCc2ccccn2)cc1 58023469 KUVFLSXSEFMRQP-ZDUSSCGKSA-N 300.427 3.614 0 40 DHAB Fc1cccc(-c2nnc(Cc3nc(-c4ccccc4)no3)o2)c1 65185376 DPOVGNACNLCCKR-UHFFFAOYSA-N 322.299 3.517 0 40 DHAB Cc1oc(-c2ccccc2)nc1Cn1ccnc1-c1ccccn1 65492979 WOIZKOXNQYKERS-UHFFFAOYSA-N 316.364 3.957 0 40 DHAB CCN1CCC[C@H]1CNC(=O)c1cc2c(s1)CCCCCC2 68711317 UUWYEOJMPVQIMQ-HNNXBMFYSA-N 320.502 3.621 0 40 DHAB Cc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 69347557 GBLPIIAYHWLXGV-HNNXBMFYSA-N 309.369 3.975 0 40 DHAB C[C@H](c1c(F)cccc1F)N1CCc2c(ncn2C2CC2)C1 69461702 JXAPAZJTUVZWNE-LLVKDONJSA-N 303.356 3.616 0 40 DHAB CCN(Cc1ccoc1)C(=O)Nc1ccn(-c2ccccc2)n1 69628824 RJQNYSLHYHQKBP-UHFFFAOYSA-N 310.357 3.519 0 40 DHAB CN1CCC(Nc2ccccc2NC(=O)c2ccsc2)CC1 69774371 JTVCSHQGFYPTHW-UHFFFAOYSA-N 315.442 3.507 0 40 DHAB COC(=O)c1ccc([C@@H]2SCC(O)=Nc3ccsc32)cc1 71283160 IGEYARBXXOARIC-ZDUSSCGKSA-N 319.407 3.959 0 40 DHAB O=C(OC1CCCC1)c1ccc(Cn2nnc3ccccc32)cc1 71794539 ZTOOSUMZRTYROC-UHFFFAOYSA-N 321.380 3.579 0 40 DHAB CN[C@@H](c1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72207677 LPJBZPQJQRTGFC-HOTGVXAUSA-N 304.434 3.737 0 40 DHAB CC(C)Oc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72211907 GLHOEOAXDMFFTH-QGZVFWFLSA-N 310.397 3.846 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 72214630 MAVXDAVVUBXLQX-AWEZNQCLSA-N 305.422 3.658 0 40 DHAB CC(C)c1nc([C@H]2CCCN2Cc2ccncc2Cl)no1 76051448 HZXUOXKRWXIMAJ-CYBMUJFWSA-N 306.797 3.579 0 40 DHAB CCc1nc(CNC(=O)Nc2ccc3ccn(C)c3c2)cs1 78937872 GDXDZBJEWFQIMF-UHFFFAOYSA-N 314.414 3.519 0 40 DHAB CS[C@@H]1CC[C@@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1 84642960 QPXFLNSKLZAGTR-ZYHUDNBSSA-N 324.412 3.787 0 40 DHAB C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccc([S@](C)=O)cc1 95991428 FPPSDWMBNHPRFV-MCMMXHMISA-N 317.429 3.903 0 40 DHAB COC(=O)CCCCCCNC(=O)Nc1ccc(C)cc1C 96998611 LGLINZUCVFUACA-UHFFFAOYSA-N 306.406 3.548 0 40 DHAB CC[C@H]1C[C@H](C(=O)Nc2c(F)cccc2NC2CC2)CCO1 97059589 SDNFRTNUCBDZIX-YPMHNXCESA-N 306.381 3.544 0 40 DHAB Cc1cc(NCc2scnc2C)ccc1C(=O)NC(C)C 97235445 LFYNMCHCMDLZGS-UHFFFAOYSA-N 303.431 3.510 0 40 DHAB Cc1ccc(C(C)(C)C)cc1[S@@](=O)CC(=O)c1ccc[nH]1 107959042 GHWKXMZJSUJGPD-OAQYLSRUSA-N 303.427 3.611 0 40 DHAB CC[C@]1(C)Oc2ccc(NC(=O)CCc3cscn3)cc2O1 188854578 DEBYFYIACVJGKY-MRXNPFEDSA-N 318.398 3.612 0 40 DHAB O=[S@@](CC[C@@H]1CCCO1)Cc1ncc(-c2ccccc2)s1 195577205 AKWGLMLVLHPBEA-QKKBWIMNSA-N 321.467 3.628 0 40 DHAB CC[C@H](C(=O)OC)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223200782 WNLXXISROXROMF-SWLSCSKDSA-N 305.418 3.739 0 40 DHAB Cc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)nc1 225448074 NHXBBABVIJCLFJ-UHFFFAOYSA-N 315.442 3.664 0 40 DHAB O=C(Nc1cccc(F)c1)c1snnc1-c1ccc(F)cc1 225778160 XLJHNEMMRRPTBM-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cn1 225893778 WZYJYAJQUPWNGZ-QGZVFWFLSA-N 308.422 3.650 0 40 DHAB CNc1cc([C@H]2CCCN(C(=O)c3cc(C)cs3)C2)ccn1 257315874 VDBPCRLBJGUTPJ-AWEZNQCLSA-N 315.442 3.513 0 40 DHAB Cc1ccc2c(C(=O)NC3CCC(C(=O)O)CC3)csc2c1 263158919 OOGQHIBEQGBOCX-UHFFFAOYSA-N 317.410 3.583 0 40 DHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)[C@H]1CC=CCC1 1775968495 OTBWHCAFUZAWKU-JSGCOSHPSA-N 317.410 3.514 0 40 DHAB COC(=O)c1ccc(Oc2ncnc3sc(C)c(C)c23)cc1 87744 YTFUKDOVZBRZOR-UHFFFAOYSA-N 314.366 3.887 0 40 DHAB COc1cc(NCCN(C(C)C)C(C)C)c2ncccc2c1 1656133 PQXGZUIQOIHIFO-UHFFFAOYSA-N 301.434 3.774 0 40 DHAB CC(=O)O[C@@H]1Cc2ccccc2[C@H](OC(C)=O)Cc2ccccc21 1709198 LUAJVZPATZBQGQ-WOJBJXKFSA-N 324.376 3.694 0 40 DHAB FC(F)Oc1ccccc1-c1nc2c3ccccc3ncn2n1 2806383 VCSBKSBACMSGCA-UHFFFAOYSA-N 312.279 3.546 0 40 DHAB CC1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3864486 GOJANQILHWLMMS-FCGDIQPGSA-N 311.510 3.557 0 40 DHAB Cc1cc2cc(CNC(=O)[C@H](C)Oc3ccccc3)ccc2n1C 4061549 OTWHUQHQHKWLSZ-HNNXBMFYSA-N 322.408 3.570 0 40 DHAB CC(C)[C@H](O)/C(=C/c1ccc(Cl)cc1Cl)n1cncn1 4258301 KUEAKBUJPKQVJA-UUSOHVMFSA-N 312.200 3.600 0 40 DHAB CCOc1ccc(-c2nc(NC(=O)C3CC3)sc2C)cc1 4279321 PCFGZWXXCQPPHZ-UHFFFAOYSA-N 302.399 3.866 0 40 DHAB Fc1cccc(Oc2ncnc3c2cnn3-c2ccccc2)c1 4355231 XGKQSLFFNRBNAC-UHFFFAOYSA-N 306.300 3.747 0 40 DHAB C[C@H](NC(=O)C1(c2cccs2)CCOCC1)c1ccccc1 4478967 KPPPAVKGKVTTFN-AWEZNQCLSA-N 315.438 3.674 0 40 DHAB CC1CCN(C(=O)C2CCN(CC3CCCCC3)CC2)CC1 4603244 SQDUQNCXWUVGSY-UHFFFAOYSA-N 306.494 3.537 0 40 DHAB CC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2C)c1 4903886 NLLBRJYVZCDFRG-UHFFFAOYSA-N 316.788 3.902 0 40 DHAB Cc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 6302186 VNLFUJIWDHOAFB-UHFFFAOYSA-N 304.301 3.875 0 40 DHAB Cc1cc(C)cc(NC(=S)NCCCN2CCC(C)CC2)c1 7027258 HEAIDYZUAVLTNE-UHFFFAOYSA-N 319.518 3.712 0 40 DHAB CCn1c(SC[C@H]2CCCCO2)nnc1-c1cccs1 7062131 WEZQJFQTWBKGFX-LLVKDONJSA-N 309.460 3.688 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)c(C)c1 7759938 WGDAURPLVJGTAD-UHFFFAOYSA-N 321.380 3.626 0 40 DHAB CC[C@]1(c2ccccc2)NC(=O)N(C/C=C/c2ccccc2)C1=O 8389593 YBIRGOQZEKCSQD-RGFVMQALSA-N 320.392 3.557 0 40 DHAB Cc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)c1 9317906 MRPMSQPZFGBFLQ-OAHLLOKOSA-N 319.364 3.566 0 40 DHAB CCCNC(=O)Cc1cn(Cc2ccccc2)c2ccccc12 9523451 BQOUPIBYVUGZCN-UHFFFAOYSA-N 306.409 3.758 0 40 DHAB CN(C)[C@H](CNC(=O)c1cccs1)c1cccc2ccccc12 10330469 YLFLKXBUVZEYNR-QGZVFWFLSA-N 324.449 3.934 0 40 DHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1cccc(Cl)c1 10449989 YDTQXFCCLVMRNI-LBPRGKRZSA-N 321.829 3.621 0 40 DHAB Cc1ccccc1-c1noc(CN2CCc3ccccc3C2)n1 12756669 YQRGBEAYZCVUBH-UHFFFAOYSA-N 305.381 3.603 0 40 DHAB C[C@@H](Nc1nc2ccccc2s1)C(=O)NC1CCCCCC1 12757259 UHVGTPZCXONBBF-GFCCVEGCSA-N 317.458 3.936 0 40 DHAB O=C(NC1CCCC1)c1ccc(NC(=O)c2cccs2)cc1 12772392 UPMXTGNACZWHDI-UHFFFAOYSA-N 314.410 3.673 0 40 DHAB COc1ccc2c(CN[C@@H]3CCC[C@@H](C)[C@@H]3C)cc(=O)oc2c1 12818682 CTFXTOYBBHKMCQ-IIYDPXPESA-N 315.413 3.716 0 40 DHAB CONC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 12901442 MYADYJISDKRMRA-UHFFFAOYSA-N 307.434 3.597 0 40 DHAB COc1cc(-c2cc(C)c3ccccc3n2)ccc1OCC(=O)O 13317097 TZRYJYVOOBWEHT-UHFFFAOYSA-N 323.348 3.682 0 40 DHAB CCOc1ccc(-c2nnc(NC(=O)C(C)(C)C)s2)cc1 13571268 DCABWAQJAPHFSA-UHFFFAOYSA-N 305.403 3.588 0 40 DHAB COc1ccc2cc3c(nc2c1)OC(=O)N(C1CCCCC1)C3 19563992 KAFVNCAGHMIHRA-UHFFFAOYSA-N 312.369 3.891 0 40 DHAB O=C(c1ccccc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 24692676 FURPOCOOJFTCGZ-CYBMUJFWSA-N 324.355 3.987 0 40 DHAB C[C@H]1CCCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C1 26781035 OHQWOUQOOHHSLW-PBHCIXSXSA-N 311.510 3.701 0 40 DHAB CCCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27583826 GQKZJZYHULUBEW-INIZCTEOSA-N 308.853 3.783 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ncc(C)s1 27975877 LKZHLVJDPNUQKJ-HNNXBMFYSA-N 316.426 3.736 0 40 DHAB CCOc1cccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 28304970 TXGMQHUPKVCUHC-UHFFFAOYSA-N 307.353 3.728 0 40 DHAB CCONC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 29569492 VRXOCSUGAJWAOM-UHFFFAOYSA-N 314.366 3.751 0 40 DHAB COc1ccc(C(C)=O)c(OCc2nnc(-c3ccccc3)o2)c1 32958276 MWMBLFCXFUTGFM-UHFFFAOYSA-N 324.336 3.527 0 40 DHAB O=C(NCc1ccccn1)c1cccnc1Sc1ccccc1 36661076 OVFKDNANBZIGSQ-UHFFFAOYSA-N 321.405 3.558 0 40 DHAB CC[C@H](NC(=O)Cc1c(C)noc1C)c1ccc(Cl)cc1 37136428 DFCGYUYNDAPIGY-HNNXBMFYSA-N 306.793 3.755 0 40 DHAB COc1ccc([C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)cc1 38566773 WCRKLCUBFAMYKR-AWEZNQCLSA-N 314.360 3.856 0 40 DHAB CCC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(CC)cccc21 39198755 YJAXAFPOOSEKDP-SFHVURJKSA-N 301.386 3.773 0 40 DHAB in-vitro COc1ccc([C@@H](CC(C)C)C(=O)O)cc1Br 41511870 FRXNSYCLGKFMOR-SNVBAGLBSA-N 301.180 3.672 0 40 DHAB Cc1ccc([C@H](C)N(C)C(=O)NCC2(N(C)C)CCCC2)cc1 43146870 DWPFXUNKDDBCLC-INIZCTEOSA-N 317.477 3.572 0 40 DHAB Cc1nc2ccccc2nc1N1CCO[C@H](c2ccc(F)cc2)C1 44782307 MRCXTUOHWWEDBY-SFHVURJKSA-N 323.371 3.655 0 40 DHAB Cc1cnc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)s1 49211364 AZZNYCNGOHWCDR-GFCCVEGCSA-N 307.806 3.914 0 40 DHAB CCc1nc(COc2ccc(NC(=O)CSC)cc2)cs1 58115613 LIHRYGVWRMPCLC-UHFFFAOYSA-N 322.455 3.586 0 40 DHAB O=C(c1cccc(F)c1)N(Cc1cccnc1)Cc1ccco1 58604361 RSPAFSFGYOUSKD-UHFFFAOYSA-N 310.328 3.656 0 40 DHAB Cc1noc(C)c1COc1ccccc1OCC(F)(F)F 66824740 LHDTXYWHMGEJSY-UHFFFAOYSA-N 301.264 3.812 0 40 DHAB C[C@@H](SCc1csc(-c2ccsc2)n1)C(=O)NC1CC1 69514395 FOLZGGUXPUREFN-SECBINFHSA-N 324.496 3.772 0 40 DHAB Cc1ccncc1NC(=O)c1ccc(Br)cc1F 69702571 ZTUAAXAHSMOVHN-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 72214633 VWRTVOACLNMJMR-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB Cc1ncsc1CN[C@@H]1CCCc2c1cnn2C(C)(C)C 72298315 IEJOPSJDMBUVQZ-CYBMUJFWSA-N 304.463 3.570 0 40 DHAB CCCOc1ccc(CNC(=O)c2ccc(C)c(F)c2)cc1 72331743 BLVJUVZLXNZGDB-UHFFFAOYSA-N 301.361 3.853 0 40 DHAB CCOc1cccc(CNC(=O)c2ccc(Cl)cc2OC)c1 72331749 BDQASPCVDTUVNA-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB CC1(C)Oc2ccc(NC(=O)c3ccc[nH]c3=S)cc2O1 75120246 KDYDPBNAXNSDIG-UHFFFAOYSA-N 302.355 3.504 0 40 DHAB O=C(NCc1ccc(F)cc1)N1CCC(c2ccsc2)CC1 75157176 YALFHOBRUOZBAK-UHFFFAOYSA-N 318.417 3.976 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)C(C)(C)c1ccccc1 75496676 LAUGBZLWKRLTST-UHFFFAOYSA-N 311.381 3.780 0 40 DHAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc2ccccc2c1 76057839 BOUPWRCEYDKMBK-QRWLVFNGSA-N 322.452 3.576 0 40 DHAB C[C@H](CNC(=O)c1cscn1)c1c(Cl)cccc1Cl 78483311 HBQHNFLFOHYKEX-MRVPVSSYSA-N 315.225 3.983 0 40 DHAB CO[C@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1 78934768 WZZGZFWNODQVAN-AWEZNQCLSA-N 324.302 3.536 0 40 DHAB CNC(=O)c1c(C)cccc1NCc1cc(-c2ccccc2)no1 79311342 FKWISLJVICVYJS-UHFFFAOYSA-N 321.380 3.622 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc(-c2nccs2)c1 89865018 RLHYDCVIQIIHFK-UHFFFAOYSA-N 313.386 3.794 0 40 DHAB Brc1cccc(Br)c1CN1CCCC1 90413587 OQEGQDBLTFURDR-UHFFFAOYSA-N 319.040 3.807 0 40 DHAB C[C@H](CCc1ccccc1)CNC1CCN(c2ccccn2)CC1 95450143 KJZIMJMJBNSVKW-GOSISDBHSA-N 323.484 3.909 0 40 DHAB O=C(/C=C/c1ccccc1)NCC[C@@H](O)c1cc2ccccc2o1 96097206 AXBMKVQDYAURKF-SXSDINLZSA-N 321.376 3.686 0 40 DHAB COc1cccc(/C=C2\C(=O)Nc3ccccc32)c1OC(C)C 96663101 XDGYUUIVJXYHLU-PTNGSMBKSA-N 309.365 3.975 0 40 DHAB COc1ccccc1OC(F)(F)C(F)(F)Br 97437845 YZBBPTSCMLAFKB-UHFFFAOYSA-N 303.049 3.655 0 40 DHAB CC(=O)c1c(O)cc2c3c1OC(C)(C)[C@@H]1CC[C@@](C)(C[C@@H]31)O2 103047533 AHFQKUOGPHVZLT-YRUZYCQGSA-N 302.370 3.801 0 40 DHAB C[C@H]1C[C@H]1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 108854222 HMTMJPKOYIKJIV-JOAULVNJSA-N 316.184 3.520 0 40 DHAB Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 113566595 GAVXVVAMLMUTND-UHFFFAOYSA-N 309.369 3.914 0 40 DHAB CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2ccccn2)cc1 134572332 MCUGSCBSXZBFJN-MRXNPFEDSA-N 310.441 3.743 0 40 DHAB CSc1nc(NC2CCCCC2)c2cc(C(=O)O)sc2n1 217687304 GGXKHEBVDDCNDV-UHFFFAOYSA-N 323.443 3.856 0 40 DHAB O=C(NCCCc1cccc(F)c1)c1cc(-c2ccccc2)on1 223274195 GPGCAMYBMOIPAK-UHFFFAOYSA-N 324.355 3.843 0 40 DHAB Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1cccs1 225130751 KYGDPUCERVZDGS-UHFFFAOYSA-N 301.820 3.535 0 40 DHAB CCCCOc1c(OCC)cc(Br)cc1C(=O)O 225281958 LHXGQVZWOORKEV-UHFFFAOYSA-N 317.179 3.725 0 40 DHAB C[C@H](CCc1ccccc1)Nc1ccc(N)cc1C(=O)NC1CC1 225496062 ZCLFSPYOUJFKAR-CQSZACIVSA-N 323.440 3.594 0 40 DHAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCCCCC3)c2)n1 225915585 BVQJBXUKXIMPKF-UHFFFAOYSA-N 324.428 3.853 0 40 DHAB CC(C)Cc1nnc([C@H](C)[S@@](=O)[C@H](C)c2ccccc2F)o1 253369518 DNSPLNPIRYYBQN-DMDKVIGKSA-N 324.421 3.978 0 40 DHAB COc1ccc(-c2csc(Nc3ccc(OC)nc3)n2)cc1 255190089 UYKGQCQVAAUDGD-UHFFFAOYSA-N 313.382 3.966 0 40 DHAB Cc1cc(C)cc(CSCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 408833770 YDQBBCOUEAJZDV-XIRDDKMYSA-N 303.471 3.841 0 40 DHAB O=C(Nc1scnc1C1CC1)C1(c2cccnc2)CCCC1 578045467 OYQOMYOJUKORKM-UHFFFAOYSA-N 313.426 3.866 0 40 DHAB CO[C@H]1CCCN(Cc2csc(C)n2)[C@H]1Cc1ccccc1 1615190523 FTCPXGZOTUSOLH-ROUUACIJSA-N 316.470 3.674 0 40 DHAB O=C(O)c1ccccc1C(=O)Nc1ccc2c3c(cccc13)CC2 267367 XNJHOGFLPZSSAD-UHFFFAOYSA-N 317.344 3.889 0 40 DHAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccccc1Cl 3224685 UKMJHEVXWPBJHE-BQYQJAHWSA-N 321.785 3.597 0 40 DHAB Cc1cc(N(C(=O)c2cccs2)C(=O)c2cccs2)no1 3305410 WBWRVQOKFVIWNG-UHFFFAOYSA-N 318.379 3.593 0 40 DHAB O=C(Nc1ccccc1C1(O)C2CC3CC(C2)CC1C3)C1CC1 4001917 UNOCMAHFECOGBX-UHFFFAOYSA-N 311.425 3.679 0 40 DHAB CCn1nc(NC(=O)C(C)(C)C)c2cc3cc(C)ccc3nc21 5477915 TVEATPRGMMMNGV-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB C[C@H](OC(=O)[C@H]1C[C@@H]1C)C(=O)Nc1cc(Cl)cc(Cl)c1 5693498 HMTMJPKOYIKJIV-UBJUHAIHSA-N 316.184 3.520 0 40 DHAB COC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1C 5884294 DLXOOHLNZYTULU-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB COc1ccccc1-n1cnnc1SCc1cccc(C)c1 6534852 CWTBRJOOZXZYQU-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB COc1ccc(Nc2cc(Nc3ccc(OC)cc3)ncn2)cc1 6793246 ATXZALGPBVPYQK-UHFFFAOYSA-N 322.368 3.981 0 40 DHAB S=C(NC1CC1)N(CCc1ccccc1)Cc1ccccc1 7526310 PFEXYZAGCBMRHO-UHFFFAOYSA-N 310.466 3.768 0 40 DHAB COc1ccc(C)cc1NC(=O)CNc1ccc(F)c(Cl)c1 7972585 WFJOUTYMZXONKY-UHFFFAOYSA-N 322.767 3.847 0 40 DHAB CC(=O)c1ccccc1NCC(=O)Nc1cccc(Cl)c1 7976281 DKDUORKZUAXKER-UHFFFAOYSA-N 302.761 3.593 0 40 DHAB COc1ccc(-c2nnc3ccc(Nc4ccccc4)nn23)cc1 9060874 VEESPSLKDORPEF-UHFFFAOYSA-N 317.352 3.544 0 40 DHAB COc1ccccc1NC(=O)N[C@H](C)CCc1ccc(O)cc1 11008346 JKPHLZJRXZWUJR-CYBMUJFWSA-N 314.385 3.544 0 40 DHAB Cc1ccc(C(=O)N2CCc3ccccc32)cc1-n1cccc1 11329578 WHRQARMPOMPVEH-UHFFFAOYSA-N 302.377 3.989 0 40 DHAB O=C(CSc1nc2ccccc2[nH]1)NC1CCCCCCC1 12540500 WCLVTNHQPITUDQ-UHFFFAOYSA-N 317.458 3.884 0 40 DHAB Cc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 12995274 DUNTUAZWYJDUKI-CYBMUJFWSA-N 312.369 3.649 0 40 DHAB Cc1ccc(N2CCN(C(=O)Nc3ccccc3)C[C@@H]2C)cc1 13320252 MZENGWNLTXJYIP-INIZCTEOSA-N 309.413 3.738 0 40 DHAB CC(C)c1nnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1 14016869 HLHHLZKGFLJWKF-UHFFFAOYSA-N 315.320 3.933 0 40 DHAB Cc1ccc(-c2nsc(NC(=O)c3cccs3)n2)s1 15859998 VNCOFKPMUFVLST-UHFFFAOYSA-N 307.425 3.889 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1c(C)cccc1C 17970295 JQMBFZRITBFMGT-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB CCc1c(-c2ccccc2)c(=O)[nH]c2cc3c(cc12)OCCO3 19957217 LNRUKSBIFBCWDX-UHFFFAOYSA-N 307.349 3.529 0 40 DHAB Cn1cc(Cl)cc1C(=O)Nc1cc(C(C)(C)C)ccc1O 21006859 GXDBVTSKDZJCAJ-UHFFFAOYSA-N 306.793 3.934 0 40 DHAB COc1cccc([C@@H]2CCCN2C(=O)c2cccc3cn[nH]c23)c1 25610311 SYECUTJHORGUGF-KRWDZBQOSA-N 321.380 3.549 0 40 DHAB O=C(CSc1nccn1-c1ccccc1)c1ccc(F)cc1 26127762 TURFQNXQGXSGKO-UHFFFAOYSA-N 312.369 3.986 0 40 DHAB C[C@H](c1nc(-c2cccs2)no1)N1CCc2ccccc2C1 26807460 QUCSUVGKKNYXFT-GFCCVEGCSA-N 311.410 3.917 0 40 DHAB Cc1cnc(Sc2nc3cccc(C)n3c2Br)[nH]1 27755401 DUMUKDSBRWXMAN-UHFFFAOYSA-N 323.219 3.588 0 40 DHAB CN(CC(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCc2ccccc21 29484387 FXYSTVQFVLHHQH-HXUWFJFHSA-N 320.436 3.733 0 40 DHAB O=C(NCCc1ccccc1)NCc1ccc(C(F)(F)F)cc1 32862608 RICGEWCBSPLKGN-UHFFFAOYSA-N 322.330 3.747 0 40 DHAB C[C@@H](NC(=O)C1CCCC1)c1ccc(OC(F)(F)F)cc1 40074326 ZOHJMSMWGIHKLJ-SNVBAGLBSA-N 301.308 3.953 0 40 DHAB COCc1ccccc1CNC(=O)Nc1ccccc1Cl 40095592 YOTOALUTJZGORZ-UHFFFAOYSA-N 304.777 3.808 0 40 DHAB CC(C)c1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1 40096963 BFBYFZPGRFTGBX-KRWDZBQOSA-N 316.376 3.804 0 40 DHAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1Cl 41096616 CISHOLYZFTYDAB-LBPRGKRZSA-N 321.829 3.788 0 40 DHAB CCOCCCNC(=O)Nc1ccccc1SC(F)F 43552784 JEWXXAOCEJZBCX-UHFFFAOYSA-N 304.362 3.549 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N2CCCC2=O)cc1 43574188 GCYUXAAJMVQGKN-CJNGLKHVSA-N 315.417 3.514 0 40 DHAB CN(C(=O)Nc1nncs1)C1CCC(c2ccccc2)CC1 47320593 BRDJIOGXHIKQII-UHFFFAOYSA-N 316.430 3.728 0 40 DHAB CC(C)c1ncc(Cl)c(C(=O)N2CCc3sccc3C2)n1 50104668 ZNRWNDBNILUPJA-UHFFFAOYSA-N 321.833 3.513 0 40 DHAB COc1ccc([C@@H]2NC(=S)N[C@H]3c4ccccc4CC[C@@H]23)cc1 51330135 CDPQLJBXDSDFON-BZSNNMDCSA-N 324.449 3.518 0 40 DHAB c1ccc(CN2CCC(Nc3nc4ccccc4s3)CC2)nc1 52407583 NEAUDQRNZZUROM-UHFFFAOYSA-N 324.453 3.768 0 40 DHAB C[C@H](N[C@@H](C)c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C 58169742 FUQHGKVGEAGGGG-JYJNAYRXSA-N 308.425 3.704 0 40 DHAB O=C(CC[S@](=O)Cc1cccc(Cl)c1)Nc1ccccc1 58229330 SBBQUWDAGYYEDB-OAQYLSRUSA-N 321.829 3.618 0 40 DHAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)C1CCC1 58291891 AUBXFSIRVZBZFL-UHFFFAOYSA-N 319.408 3.501 0 40 DHAB Cc1nccc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)n1 58354756 WSWCSXBEYYNCTM-UHFFFAOYSA-N 320.352 3.533 0 40 DHAB CC(C)(C)n1cc(CN[C@@H]2CCCOc3ccc(F)cc32)cn1 65475938 NKZBTJMDRBIEOA-MRXNPFEDSA-N 317.408 3.781 0 40 DHAB CC[C@@H](C)C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 65604010 PVANPFYBJDRVOV-SECBINFHSA-N 324.837 3.604 0 40 DHAB COCc1ccccc1CNC(=O)[C@H]1C[C@H]1c1ccc(C)s1 65610933 BACZEWCNPAJJSA-CVEARBPZSA-N 315.438 3.623 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(Cl)c1 65722561 OHPVVFIOHVJLDB-ZDUSSCGKSA-N 303.789 3.846 0 40 DHAB COCc1nc(-c2cc(Br)ccc2OC)cs1 69416615 IITRDUDILFXQBA-UHFFFAOYSA-N 314.204 3.728 0 40 DHAB O=C(CCCOCc1ccccc1)N1CCC[C@H]1c1ccccn1 69440417 PCYIHESKAIHKBV-IBGZPJMESA-N 324.424 3.742 0 40 DHAB Cc1cnn(C[C@@H](C)NCc2csc(-c3ccsc3)n2)c1 69442867 ZPLGRWNBHCQLTH-GFCCVEGCSA-N 318.471 3.555 0 40 DHAB CC[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1nc(C)cs1 69843725 DMKJJKOBUKTAGA-LDYMZIIASA-N 307.246 3.603 0 40 DHAB Brc1cnc2c(OCc3ccccc3)cccn12 72190677 MNOURXQMSYWOFL-UHFFFAOYSA-N 303.159 3.676 0 40 DHAB C[C@H](OC(=O)c1csc(-c2cccs2)n1)C(F)(F)F 72305083 BXKXXFOOZJDZGI-LURJTMIESA-N 307.318 3.979 0 40 DHAB Cc1cc(O)ccc1NCc1cc2ccc(C)c(C)c2[nH]c1=O 72396058 RXOWLIYLWRAZFL-UHFFFAOYSA-N 308.381 3.771 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)N[C@H](c1nccs1)C1CC1 74708932 LBYKXNNYKYDRAH-ABAIWWIYSA-N 313.426 3.755 0 40 DHAB COCCN(Cc1ccoc1)C(=O)/C=C/c1ccccc1Cl 85474313 NLUPZJSWPQQQMG-VOTSOKGWSA-N 319.788 3.621 0 40 DHAB COC(=O)Nc1cccc(NCc2nnc(-c3ccccc3)o2)c1 89401213 AFFHNQFKUJSFNE-UHFFFAOYSA-N 324.340 3.527 0 40 DHAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccn1 92868534 JSAKYAVLQLDBPS-CQSZACIVSA-N 313.405 3.571 0 40 DHAB Cc1cccc(-c2[nH]ncc2CN(C)CCc2nccs2)c1 93843905 JRHQRHMHHIMLFU-UHFFFAOYSA-N 312.442 3.516 0 40 DHAB CCN(CC(C)(C)O)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 95963181 FKEZQGVFLMDWAE-ZWKOTPCHSA-N 311.425 3.563 0 40 DHAB c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccoc2)cc1 96061585 BBLYVSASGMNVFO-VQTJNVASSA-N 311.425 3.892 0 40 DHAB O=C(O)[C@@H]1CCC(=O)N(CC2CCCCC2)[C@@H]1c1ccccc1 96515689 UDKZQAXBWITURQ-SJLPKXTDSA-N 315.413 3.631 0 40 DHAB CC(C)[C@H](C)S(=O)(=O)[C@H](C)c1ncc(-c2ccccc2)o1 97014839 DALJSHVCECEJGJ-QWHCGFSZSA-N 307.415 3.862 0 40 DHAB CCc1c(C)nc2nnc(-c3ccc(Cl)cc3Cl)n2c1O 104481515 BUNLRRSEPIZUTH-UHFFFAOYSA-N 323.183 3.675 0 40 DHAB CCOc1ccc(CN(C)C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 110516000 YGMORZHJFDBGKQ-ZOBUZTSGSA-N 318.486 3.580 0 40 DHAB O=C(NCc1cncc(-c2ccsc2)c1)NC1CCCCC1 206948826 UUIWXHCSBQKKOP-UHFFFAOYSA-N 315.442 3.942 0 40 DHAB O=C(c1ccco1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219318345 IBDYBLMZONQILP-HNNXBMFYSA-N 323.364 3.878 0 40 DHAB Cc1ncsc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219517894 OOOWJEGVAUEMTM-GFCCVEGCSA-N 324.496 3.833 0 40 DHAB O=C(NCCCOC1CCCC1)C1(c2ccccc2)CCCC1 224912291 YMEMLYYBZWZYNI-UHFFFAOYSA-N 315.457 3.964 0 40 DHAB CCCOc1ccc(I)c2cccnc12 225390866 OZXDKOFIBWGBJX-UHFFFAOYSA-N 313.138 3.628 0 40 DHAB O=C(O)CCC1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 568054598 XEEOAIDZTHNSHE-QGZVFWFLSA-N 305.393 3.780 0 40 DHAB Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccccc2N(C)C)o1 585084672 NOVIJYHEMKBRHP-UHFFFAOYSA-N 324.428 3.676 0 40 DHAB CC(C)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21 201051 ZTLJBMBYORPVEA-UHFFFAOYSA-N 321.424 3.665 0 40 DHAB Cc1cccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c1 328318 RVPNYEMYCOLFFV-UHFFFAOYSA-N 320.344 3.809 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCCC2 426549 IOJVAUUKBDNSON-UHFFFAOYSA-N 304.777 3.527 0 40 DHAB COc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cc1 1406907 GVHNMZODOUMKJD-UHFFFAOYSA-N 324.405 3.995 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1cc(C)ccc1C 3178056 NYBRXMUBMAIVOG-HNNXBMFYSA-N 304.434 3.575 0 40 DHAB CCNC(=S)Nc1ccc(Nc2ccccc2OC)cc1 3261072 ARHXXQIOSUTAJI-UHFFFAOYSA-N 301.415 3.745 0 40 DHAB COc1ccc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1 3428499 QXEMCMLZIKUFFN-UHFFFAOYSA-N 312.365 3.660 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 4681668 QQUJXEIZXZHNDJ-UHFFFAOYSA-N 308.337 3.952 0 40 DHAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccccc1 5252304 GBGZNEGUABOGPD-UHFFFAOYSA-N 320.392 3.628 0 40 DHAB CCCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 5792117 SGDGZOSMPAMZCK-UHFFFAOYSA-N 311.407 3.708 0 40 DHAB COc1ccc(SCC(=O)NC[C@H](C)c2ccccc2)cc1 7312281 ABUHAKZBZWPZND-AWEZNQCLSA-N 315.438 3.707 0 40 DHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCCCC1 7378082 JXGUJQUKWXPMIE-GFCCVEGCSA-N 310.825 3.552 0 40 DHAB Cc1cc(C(=O)CCC(=O)N[C@@H](C)c2cccnc2)c(C)s1 8346251 IVFLJQZQWRBBAO-LBPRGKRZSA-N 316.426 3.600 0 40 DHAB CNCCCNCc1ccc(OCc2ccccc2Cl)cc1 8377110 ZVHIVWJCRKDWLD-UHFFFAOYSA-N 318.848 3.618 0 40 DHAB Cc1nnc(NC(=O)c2ccc(C3SCCS3)cc2)s1 9501256 XNJCADKWHTZFET-UHFFFAOYSA-N 323.468 3.577 0 40 DHAB CCn1/c(=N\C(=O)C2CCCCC2)sc2cc(F)ccc21 12180891 YJZMTBLLXPWXJW-FBMGVBCBSA-N 306.406 3.869 0 40 DHAB c1cncc(-c2nc(NCc3ccncc3)c3ccccc3n2)c1 12557980 LRHVZTFXJHZHLQ-UHFFFAOYSA-N 313.364 3.699 0 40 DHAB COc1ccc(-c2nnc([C@H](C)N(C)Cc3ccccc3)o2)cc1 14139514 LWPGISUQJWVECK-AWEZNQCLSA-N 323.396 3.938 0 40 DHAB CCN(CC)c1ccc(NC(=O)CN2CCc3ccccc32)cc1 16480290 NUEMAYUYYMNFPW-UHFFFAOYSA-N 323.440 3.534 0 40 DHAB CC(C)CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 18078282 RQBDRYKBHLOZJY-UHFFFAOYSA-N 306.406 3.810 0 40 DHAB c1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)nc1 19361357 XOFBOPUGVNDLOQ-UHFFFAOYSA-N 317.436 3.553 0 40 DHAB COc1ccc([C@H](NC(=O)c2ccnc(Cl)c2)C(C)C)cc1 22469454 JTDYVTZBXMGKQO-MRXNPFEDSA-N 318.804 3.871 0 40 DHAB Cc1nnc([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)s1 23140549 NYWDCQXOTYECIG-LLVKDONJSA-N 321.833 3.520 0 40 DHAB C[C@H](NC(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCCO1 26399656 GTJZMZFVHYAQPH-MAUKXSAKSA-N 324.424 3.643 0 40 DHAB Cc1ccc(NC(=O)N2C(=O)CSc3ccccc32)c(C)c1 28527776 OBCQSPQACZFNFJ-UHFFFAOYSA-N 312.394 3.974 0 40 DHAB Cc1ccccc1-n1ncc(C(=O)N2CCCCC2)c1C1CC1 29735933 BIJBJODADFKTKS-UHFFFAOYSA-N 309.413 3.684 0 40 DHAB CCCN(CCC)Cn1nc(-c2ccc(OC)cc2)[nH]c1=S 29886046 YQUUIQBSUWKQKD-UHFFFAOYSA-N 320.462 3.696 0 40 DHAB CC(C)Cc1nnc(NC(=O)Nc2ccc(F)cc2F)s1 32610908 YWGWWDGTJHOHDX-UHFFFAOYSA-N 312.345 3.659 0 40 DHAB CC(C)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl 32824075 FWEDFLIGAYWSKW-UHFFFAOYSA-N 308.230 3.555 0 40 DHAB COC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 35767028 HCJFTXQJWPROKF-UHFFFAOYSA-N 320.801 3.895 0 40 DHAB Cc1ccc(Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 36393269 LFKJUCWQWXNZFX-KBPBESRZSA-N 317.458 3.804 0 40 DHAB COCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1 44904066 RWOXGLSVTAVDDS-UHFFFAOYSA-N 315.760 3.615 0 40 DHAB CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CC1 47277652 YTCLAGOQDRQQRM-UHFFFAOYSA-N 311.429 3.658 0 40 DHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)C(C)C 48256464 XUNBKYOZHBZVLG-CYBMUJFWSA-N 305.422 3.756 0 40 DHAB CCOCc1ccccc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 55340294 OXAWQPOUASFRLE-GOSISDBHSA-N 324.380 3.679 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2CN(C)C)C1(C)C 58086868 IZNOMXSITZRZIS-MSOLQXFVSA-N 314.473 3.603 0 40 DHAB O=C(CCn1ccnc1)Nc1ccc(Cl)c(C(F)(F)F)c1 58202808 ZCRPKFSKASOGSV-UHFFFAOYSA-N 317.698 3.584 0 40 DHAB O=C(NCC1CCCC1)N1CCC(Nc2ccc(F)cc2)CC1 58402865 AJSXJNCXABVPBK-UHFFFAOYSA-N 319.424 3.602 0 40 DHAB Cc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)no1 67608085 ZOMKMQVDYYLBQH-HNNXBMFYSA-N 319.792 3.587 0 40 DHAB CCCCN1CCc2ccc(NC(=O)CCc3cccnc3)cc21 84744478 LUGUNLUJORKEQW-UHFFFAOYSA-N 323.440 3.816 0 40 DHAB c1ccc2sc([C@H]3CCCN3c3nc(C4CC4)no3)nc2c1 89875029 GDBQBJKHUFHMSJ-GFCCVEGCSA-N 312.398 3.898 0 40 DHAB FC(F)(F)Cn1cc(NCc2coc(-c3ccccc3)n2)cn1 92845352 TUNDVSYDEOUNCT-UHFFFAOYSA-N 322.290 3.713 0 40 DHAB Cc1cccc(OCC(=O)Nc2c(F)cc(F)cc2Cl)c1 95452203 TVGXMGYSVDOURB-UHFFFAOYSA-N 311.715 3.944 0 40 DHAB COC(=O)c1ccsc1NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 95953240 HMIUEEWZKZFZLA-RYUDHWBXSA-N 307.415 3.712 0 40 DHAB Cc1cc(S[C@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)nc(S)n1 100928230 FQMQIQCRUPFDGN-FMSQNYNMSA-N 308.472 3.560 0 40 DHAB C[C@H](NC(=O)COc1ccccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 103075303 CFAOEUQRNMPLNQ-DGAVXFQQSA-N 307.821 3.660 0 40 DHAB COc1ccc(CNCCc2c[nH]c3cccc(C)c23)cc1O 103173051 UGNCBLACABXKDC-UHFFFAOYSA-N 310.397 3.523 0 40 DHAB Cc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 219273916 DGTQOGVNQPWPDM-QGZVFWFLSA-N 309.409 3.956 0 40 DHAB Cc1nc(C2CC2)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 222564560 WGDUSPRLQJVTPK-UHFFFAOYSA-N 321.302 3.934 0 40 DHAB CC[C@H](NC(=S)Nc1cc(C)ccn1)c1ccc(OC)cc1 225491060 XWTAUULRMSMZTR-HNNXBMFYSA-N 315.442 3.836 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2C)c1 225768148 UMXJCZOMSWCYNL-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB COc1ccc(N(C)C(=O)c2conc2-c2ccccc2)cc1 225870047 JPIXMEWPAVSAMJ-UHFFFAOYSA-N 308.337 3.627 0 40 DHAB Cc1cc2cc(C(=O)NC[C@H]3CCC[C@@H](CO)C3)oc2cc1C 585083323 QUYCJDFQTWTKFR-LSDHHAIUSA-N 315.413 3.578 0 40 DHAB CCCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN1 953015718 GLENANZLCHGVSV-OAQYLSRUSA-N 322.452 3.545 0 40 DHAB CC(C)c1ccc(-n2ccnc2SCCCC(=O)O)cc1 1591943919 ZUPNFDVHOGNTTH-UHFFFAOYSA-N 304.415 3.953 0 40 DHAB O=C1c2ccccc2-c2c1cccc2C(=O)N1CCCCCC1 133596 GPZNTLRINDSBPA-UHFFFAOYSA-N 305.377 3.914 0 40 DHAB O=C(Nc1ccccc1C(=O)Cc1ccccc1)c1ccco1 1431421 GELMYVXEACCHQC-UHFFFAOYSA-N 305.333 3.957 0 40 DHAB CCOC(=O)N1N=N[C@H](C)[C@]1(c1ccccc1)N1CCCCC1 1720310 UUYWXVKCDSRUDH-PBHICJAKSA-N 316.405 3.553 0 40 DHAB CCc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 1987232 MYTRRPRDDOSSOW-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB CCOC(=O)C(C(=O)OCC)[C@H]1CCCCC1=C(Cl)Cl 2271454 WPAWDALMLDLLHX-VIFPVBQESA-N 323.216 3.608 0 40 DHAB O=C(c1cc(F)c(F)c(F)c1)c1ccccc1CN1CCCC1 2515588 SZOPIBNZPCJBLC-UHFFFAOYSA-N 319.326 3.931 0 40 DHAB Cc1cc(C)c(NC(=O)c2cc(=O)c3ccccc3o2)c(C)c1 3231117 VJPDRHVGVQIPPD-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB CN(Cc1ccco1)C(=O)CSc1nc2ccccc2s1 3353009 CCUASNCOVKXRNC-UHFFFAOYSA-N 318.423 3.640 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(F)ccc2C)c1C 3566458 VSWZNKHQIQIQBE-UHFFFAOYSA-N 318.348 3.508 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc(OC)c(C)c(OC)c1 3567154 MIBSLWVIVKJWOJ-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB CCCCCCn1c(S[C@H](C)C(N)=O)nc2ccccc21 4246479 ALMBXDOPPJFJAH-GFCCVEGCSA-N 305.447 3.583 0 40 DHAB CCCCOc1ccc(OCCCC)c([N+](=O)[O-])c1[N+](=O)[O-] 4481616 FNUBDFOGQVNBFS-UHFFFAOYSA-N 312.322 3.861 0 40 DHAB Cc1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C2CC2)c1 4882502 KCVKNRQAJINQFA-ZNXRZULTSA-N 313.445 3.664 0 40 DHAB Cc1ccc2c(c1)c1ncnc(N3C[C@H](C)C[C@@H](C)C3)c1n2C 5516083 KDEYWEUFWXMZLK-ZIAGYGMSSA-N 308.429 3.912 0 40 DHAB O=C(O)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 6829723 PCZDVVVVTDJPLP-CYBMUJFWSA-N 312.350 3.655 0 40 DHAB CCOc1ccc(SCC(=O)Nc2nc(C)cs2)cc1 7039113 OBHDGXRVYWSQQP-UHFFFAOYSA-N 308.428 3.581 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2cccc(F)c2)c(C)c1 7216270 QMWYAFKRZYGKEM-UHFFFAOYSA-N 321.417 3.572 0 40 DHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1ccccc1 7696755 WAYMMIGEPWCZHA-OUKQBFOZSA-N 317.392 3.544 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1 8041779 STMWDNWLUDEGJD-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB CCOc1cc(C(=O)NCc2ccco2)ccc1OCC(C)C 8325224 LRTYEOQUUHCFCR-UHFFFAOYSA-N 317.385 3.643 0 40 DHAB CCc1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1 9251001 ZPMRHRQEYYPHCZ-UHFFFAOYSA-N 316.426 3.602 0 40 DHAB O=C(CN1CCc2sccc2C1)Nc1ccc(Cl)cc1F 10341086 CABNNPSIMGIXBQ-UHFFFAOYSA-N 324.808 3.537 0 40 DHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccncc1 12620251 GEIAJTVAKQOMFM-CYBMUJFWSA-N 304.802 3.702 0 40 DHAB C[C@H]1CCc2c(C(=O)NCCCCCCC(=O)O)csc2C1 12875196 ULPNFLGPSLIMKG-LBPRGKRZSA-N 323.458 3.638 0 40 DHAB CCCCc1c(O)cc(-c2ccncc2)n(-c2ccccc2)c1=O 13143690 BTLLOXOXIKZPMZ-UHFFFAOYSA-N 320.392 3.948 0 40 DHAB CCOC(=O)c1ccc(OC(=O)/C=C/c2ccccc2F)cc1 14167973 YTUAWSVYKXWGGC-FMIVXFBMSA-N 314.312 3.621 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)N1CCCc2ccccc21 14291522 DXFFYEXHGHSNBB-UHFFFAOYSA-N 321.829 3.623 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C 14398305 MVNRXTSTUNSWCO-LLVKDONJSA-N 315.866 3.755 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCc2ccccc2C1=O 19083204 YOSCDMNSILJRMJ-JKSUJKDBSA-N 315.413 3.831 0 40 DHAB Clc1ccccc1Cn1ncc2cc(Br)cnc21 19507499 UQNVBDGPPAAKEU-UHFFFAOYSA-N 322.593 3.896 0 40 DHAB COCCCNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 20895907 YSZUNNNJEMOLQP-ZDUSSCGKSA-N 309.475 3.665 0 40 DHAB Cc1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c(C)c1 22236219 DEPPWSVTQPLUPI-UHFFFAOYSA-N 324.355 3.547 0 40 DHAB COc1nc(O)c2c(-c3cccc4ccccc34)ccnc2n1 22606901 KNVFWSVFXBNSGY-UHFFFAOYSA-N 303.321 3.559 0 40 DHAB O=C(Cc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21 24756459 SLVAOYXAUHQIDQ-OAHLLOKOSA-N 301.386 3.722 0 40 DHAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(OC)cc1 25512975 PSHJEFRXESXOHT-RDTXWAMCSA-N 313.397 3.730 0 40 DHAB Cc1nn(C)c(C)c1CNC(=O)c1ccc(-c2ccccc2)cc1 32609814 ZGJIMWYDRYLLHS-UHFFFAOYSA-N 319.408 3.634 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccsc2)c1 32722368 CYKMKVFVOFRTHR-UHFFFAOYSA-N 323.801 3.759 0 40 DHAB CCCCCNC(=O)CCc1nc(-c2ccccc2Cl)no1 41184713 WBDIIHHSWCKVKG-UHFFFAOYSA-N 321.808 3.629 0 40 DHAB COc1cccc(NC(=O)c2cc3cc(OC)ccc3nc2C)c1 45716678 FHSVAHFCXLNZKV-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB Cc1ccc2c(C=O)c(C(=O)O)n(Cc3ccccc3F)c2c1 45795968 JYGPREUTAYOPAU-UHFFFAOYSA-N 311.312 3.648 0 40 DHAB Cc1ccc(C(=O)Nc2c(C)cc(NC(N)=S)cc2C)cc1 45890869 ZVYSMDJHEUUZSJ-UHFFFAOYSA-N 313.426 3.520 0 40 DHAB C[C@H](NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccc(F)cc1 51315980 ILUPEGVEGNJUON-JTQLQIEISA-N 315.373 3.768 0 40 DHAB CC[C@H](C)N(C)C(=O)Nc1ccc(N2CCSCC2)cc1C 51648892 WEBHUQSMZRLGDH-AWEZNQCLSA-N 321.490 3.810 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cc2noc3ccccc23)o1 53194082 MFBDQRRCKNMPIS-DOMZBBRYSA-N 324.380 3.745 0 40 DHAB CCc1noc(C)c1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 58209805 VAOAPNYGIDITIL-UHFFFAOYSA-N 316.254 3.956 0 40 DHAB Cc1nc(-c2ccccc2)sc1CNC(=O)Cc1ccccc1 66553528 GESBXUITJKMLLW-UHFFFAOYSA-N 322.433 3.977 0 40 DHAB CCCCN(C(=O)c1cccc[n+]1[O-])[C@H](CC)c1ccccc1 71908144 QVNPNAHJIXPYGZ-QGZVFWFLSA-N 312.413 3.714 0 40 DHAB CC(C)n1c([C@H]2CCCN(C(=O)C3CC3)C2)nc2ccccc21 72283718 MPSIEFXIMNKGLC-HNNXBMFYSA-N 311.429 3.733 0 40 DHAB CCc1ccc(CNC(=O)c2cc(OC)c3ccccc3n2)cc1 72329558 AGPHFCOUZGXGBW-UHFFFAOYSA-N 320.392 3.736 0 40 DHAB O=C(Nc1ccc(Br)cc1F)N1C[C@@H]2CCC[C@H]21 75110195 NXFNZAGHQTVHKC-QPUJVOFHSA-N 313.170 3.604 0 40 DHAB COc1ccc([C@H]2CCC(=O)N2Cc2ccccc2OC)cc1 75876649 LITSTIIRBIFTIW-QGZVFWFLSA-N 311.381 3.568 0 40 DHAB C[C@@H](NC(=O)N1CCC2(CCOCC2)C1)c1cccc(Cl)c1 76084551 DMTVAQKDRZSGRG-CYBMUJFWSA-N 322.836 3.613 0 40 DHAB Cc1ccccc1-c1noc(CN(C)C(=O)C2CCCCC2)n1 78582332 NHFQVAAOFZJCFN-UHFFFAOYSA-N 313.401 3.584 0 40 DHAB C[C@@H](NCCNC(=O)c1ccccc1)c1cccc2ccccc12 78806477 MQPODDVJPRRSQA-MRXNPFEDSA-N 318.420 3.920 0 40 DHAB CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)cc(F)c1 79488497 BZGLVTPATGDEIT-UHFFFAOYSA-N 301.361 3.805 0 40 DHAB Cc1cccc(C2(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)CCCC2)c1 95451514 ZGDJAIGVFHYRGS-HZPDHXFCSA-N 313.441 3.886 0 40 DHAB CCNCc1ccccc1NC(=O)CCc1cc(F)ccc1F 95971520 CSXPTPLCLQNOKG-UHFFFAOYSA-N 318.367 3.646 0 40 DHAB C/C(=C\C(=O)Nc1nncs1)C12CC3CC(CC(C3)C1)C2 96401892 UDGOZQWPVVCDHS-WTDSWWLTSA-N 303.431 3.639 0 40 DHAB CC[C@H](SCc1nc(CCOC)no1)c1ccc(F)cc1 96415096 WJQRHUSUKCCUQO-ZDUSSCGKSA-N 310.394 3.782 0 40 DHAB Cc1cc(NC(=O)CCC(F)(F)F)n(-c2ccccc2F)n1 96430862 OKDRCQQASSMPBC-UHFFFAOYSA-N 315.270 3.601 0 40 DHAB CCSc1ccc(NC(=O)Nc2c(C)nn(CC)c2C)cn1 96434349 XAIGAPXVVFMRSO-UHFFFAOYSA-N 319.434 3.671 0 40 DHAB COCCC1(CNC(=O)Nc2cccc([C@@H](C)OC)c2)CCC1 96474149 VHNQBVKZVQGSNI-CQSZACIVSA-N 320.433 3.722 0 40 DHAB O=C1CC(c2ccc(Br)s2)=Nc2ccccc2N1 100853478 LSGXQBSPNZDADA-UHFFFAOYSA-N 321.199 3.974 0 40 DHAB CC[C@H](C)NC(=O)NC[C@@H](CC(C)C)N[C@H](C)c1ccccc1 107137900 PRMXUEOOCRAFFI-LZLYRXPVSA-N 319.493 3.850 0 40 DHAB CC(=O)c1c(C)nc(C)nc1SCc1ccc(Cl)cn1 120176545 CJUYTGBPAOGFFV-UHFFFAOYSA-N 307.806 3.637 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)Nc1c(F)cccc1F 158111879 PKKQLZHIZZTXCL-UHFFFAOYSA-N 317.335 3.861 0 40 DHAB COc1ccc(Cl)cc1/C=C1/SC(=O)N(C(C)C)C1=O 208519345 FAYYREFSHZGFLJ-KPKJPENVSA-N 311.790 3.793 0 40 DHAB Cc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1 225436760 SGKCIKIWFJMTIS-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB CCCCOc1ccc(NC(=O)C(C)(C)OCCC)c(C)n1 225903059 CDYHHBYYZXNTGY-UHFFFAOYSA-N 308.422 3.713 0 40 DHAB FC1(F)[C@@H]2c3ccccc3[C@H]([n+]3ccncc3)c3ccccc3[C@@H]21 238791505 SNEMFWYESXXNAO-BWTSREIZSA-N 321.350 3.837 0 40 DHAB in-vitro COc1ccc2[nH]cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2c1 248243596 IJRAKYPXVXMMGT-OSFYFWSMSA-N 312.413 3.731 0 40 DHAB c1ccc2c3c(sc2c1)[C@H](NCCc1cnccn1)CCC3 530360200 ZITTYNAFHVKQAE-MRXNPFEDSA-N 309.438 3.901 0 40 DHAB c1cnc2cc(-c3noc([C@H]4CC5CCC4CC5)n3)ccc2n1 571543679 TWSDUBAEXCIVQM-YIZWMMSDSA-N 306.369 3.974 0 40 DHAB COC(=O)CCCCC(=O)c1cccc(F)c1C(F)(F)F 575361281 WPNOEWQTLGCOSC-UHFFFAOYSA-N 306.255 3.761 0 40 DHAB O=C(NCC[C@@H](CCO)c1cccs1)c1cccc(Cl)c1 575604045 PCTLFGYRGRAQCV-LBPRGKRZSA-N 323.845 3.688 0 40 DHAB Cc1cccc(-c2nc(NCCN(C)C)c3ccccc3n2)c1 144301 KHDBFSWPFGWWCC-UHFFFAOYSA-N 306.413 3.579 0 40 DHAB CCOC(=O)c1csc(-c2ccc(Br)s2)n1 161888 UQDNCYJCQLXMOK-UHFFFAOYSA-N 318.217 3.811 0 40 DHAB CC(C)(C)C(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 251530 HQHXVUWZCKJFFR-SNVBAGLBSA-N 323.651 3.957 0 40 DHAB Cc1ccccc1NC(=O)/C=C1\NC(C)(C)Cc2ccccc21 342148 YFGUVFYODINRFP-PDGQHHTCSA-N 306.409 3.899 0 40 DHAB CCCC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 1518720 RHQHLAISBXTFEL-UHFFFAOYSA-N 314.366 3.655 0 40 DHAB CSc1nc(=S)c2nc(SC)n(-c3ccccc3)c2[nH]1 1665490 OJOBDHRUJMNQID-UHFFFAOYSA-N 320.468 3.922 0 40 DHAB O=C1S[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1 2488727 UJSRQXOUNFONJB-CYBMUJFWSA-N 318.785 3.978 0 40 DHAB COc1ccccc1C(=O)c1cccc(CN2CCCCC2)c1 2514994 NJMCIWRWIPBNHI-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB CCN(c1ccc(NC(=O)CN2CCCCCC2)cc1)C(C)C 2641369 BBAIWQWTKDPXEB-UHFFFAOYSA-N 317.477 3.736 0 40 DHAB CC(C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1 3284081 OJKHWIBVXMVQAG-UHFFFAOYSA-N 310.422 3.945 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2C)cc1C 3452022 PDVLNNNNYCFTDW-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB Cc1ccccc1OCC(=O)Nc1nc2c(C)cccc2s1 3558935 QKGKCMFDWZHCPD-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB Cc1occc1-c1nnc2sc(-c3cccc(F)c3)nn12 4938902 KYMHRTMGDYMFNX-UHFFFAOYSA-N 300.318 3.560 0 40 DHAB COc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2OC1 5034382 SZHRZILUEKGUIM-ZHACJKMWSA-N 307.349 3.666 0 40 DHAB Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)nc(C)n1 6203169 WMKRJBHBVHLCBC-UHFFFAOYSA-N 310.279 3.756 0 40 DHAB CCOc1ccc(NC(=S)NCc2ccccc2F)cc1 6335192 HKVNESLSFIDLNK-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 6339332 FHKWUHHZOXQRTG-INIZCTEOSA-N 322.408 3.603 0 40 DHAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](C)c2ccncc2)c1 6508230 NTIDJMZVNXVQOE-OAHLLOKOSA-N 310.397 3.539 0 40 DHAB O=Cc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 6610293 DDUPCMPBOIUACF-UHFFFAOYSA-N 314.772 3.971 0 40 DHAB CC(=O)c1ccccc1NC(=O)CCOc1cc(C)ccc1C 6928153 LLERHUSBMWNROD-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(F)c1 8049124 LYBPSBUQYHHAMI-CQSZACIVSA-N 309.287 3.900 0 40 DHAB CCn1c(CN[C@@H]2CCc3ccccc3C2)nc2ccccc21 8165439 JYTRMNXYAZKBIN-QGZVFWFLSA-N 305.425 3.703 0 40 DHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3Cc4c[nH]nc4[C@]3(C)CC[C@H]12 8615307 WOAIFOIONHSFPQ-STOLFRJFSA-N 314.473 3.827 0 40 DHAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 8752007 SXJPWQNAJNDGIB-GFCCVEGCSA-N 309.344 3.707 0 40 DHAB CCCC(CCC)C(=O)Nc1c(C)nc2scc(C)n2c1=O 8931786 IXNGHMLECLTVDS-UHFFFAOYSA-N 321.446 3.528 0 40 DHAB O=c1c2sccc2ncn1Cc1ccccc1C(F)(F)F 8944619 OSPXKBMGUIMWPI-UHFFFAOYSA-N 310.300 3.525 0 40 DHAB COc1c(F)c(F)c(C(=O)Nc2cccc(C)c2)c(F)c1F 9141456 WVNGDJWEKXZIOL-UHFFFAOYSA-N 313.250 3.812 0 40 DHAB O=C(COC(=O)c1cc2c(s1)CCCCCC2)c1ccc[nH]1 9813291 WLKZILLPUYKFRR-UHFFFAOYSA-N 317.410 3.775 0 40 DHAB Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(N)=O)c(C)c12 12390886 JLQMSFJNWSJNMP-UHFFFAOYSA-N 317.801 3.727 0 40 DHAB COc1cc(/N=c2\ssnc2Cl)c(OC)cc1Cl 12418116 VOQMETKMNGYFQC-RAXLEYEMSA-N 323.226 3.761 0 40 DHAB Cc1cc(COC(=O)c2ccccc2NCc2ccco2)on1 12545208 VMDLICVUMWXOLF-UHFFFAOYSA-N 312.325 3.545 0 40 DHAB COc1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 12913770 LOEILMXMDXCAGP-UHFFFAOYSA-N 302.399 3.673 0 40 DHAB CCONC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 12914927 XGZGMINIQMTXGK-UHFFFAOYSA-N 315.156 3.638 0 40 DHAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1 13132163 CJELIFRFAHCATP-QZTJIDSGSA-N 320.396 3.741 0 40 DHAB Brc1c(OC[C@H]2CCCNC2)ccc2ccccc12 14631287 HCOXBKMTQNDQBU-LBPRGKRZSA-N 320.230 3.981 0 40 DHAB CCO[P@](C)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 21993307 HNSKHOXTQXRRLA-FQEVSTJZSA-N 316.677 3.993 0 40 DHAB CCc1cc2c(OCC(=O)OC)cccc2n1Cc1ccccc1 22010791 FGOBZQSGNGDLJO-UHFFFAOYSA-N 323.392 3.804 0 40 DHAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)c1nc(C(C)(C)C)no1 23949414 BRGYVBMDLXBGKY-MRVPVSSYSA-N 323.780 3.521 0 40 DHAB CCSc1nnc(NC(=O)CCc2ccc(C)cc2)s1 24706234 AOKDRPCYWNNKIS-UHFFFAOYSA-N 307.444 3.530 0 40 DHAB C[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)C1CC1 25595449 PBDDKOHGEMFWGQ-NSHDSACASA-N 318.467 3.964 0 40 DHAB O=C(CCC1CCCCC1)Nc1nnc(-c2ccncc2)s1 28227476 JGZNTUUBTHMBTF-UHFFFAOYSA-N 316.430 3.899 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)N(C)C)C1(C)C 32850700 SWGZPHVUDRDBMM-KZNAEPCWSA-N 314.473 3.644 0 40 DHAB CCCC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(C)cc1 35290316 LYBYVMGPMFNGFC-YQQQUEKLSA-N 314.473 3.797 0 40 DHAB CCn1cc(-c2cc(C(F)(F)F)nc(NC(C)C)n2)c(C)n1 36618651 XTLKZAWRCUWIPC-UHFFFAOYSA-N 313.327 3.508 0 40 DHAB Cc1cc(C(=O)Nc2ccc(F)cc2)c(C)n1-c1nccs1 40090984 GQRSUIDHKSJYTI-UHFFFAOYSA-N 315.373 3.942 0 40 DHAB O=C(CCl)Nc1ccccc1NC(=O)c1ccccc1Cl 44831488 VRAKHKWXQGSIRY-UHFFFAOYSA-N 323.179 3.770 0 40 DHAB Cc1ccc(-c2cc(C(=O)NCc3cccc(C)c3)n[nH]2)cc1 44839159 MGPBEHBEBIFYPM-UHFFFAOYSA-N 305.381 3.624 0 40 DHAB Cc1cc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c2c(C)noc2n1 46059259 SRHDHLHMHBUJNE-UHFFFAOYSA-N 320.352 3.882 0 40 DHAB COc1ccc(C(=O)c2ccccc2Br)c(OC)c1 55232703 GLIFDMOOVCVRHU-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB O=C(CCC(=O)c1cccs1)N[C@H]1CCc2c(F)cccc21 55681940 FZTFSLDMBQIPRA-AWEZNQCLSA-N 317.385 3.654 0 40 DHAB Cc1noc(C)c1[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 58354648 CMWKYWPZPGRYCU-VHSXEESVSA-N 306.793 3.926 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)CSc1ccccc1 58995227 DJDZUFAJTKKNEP-UHFFFAOYSA-N 303.431 3.812 0 40 DHAB CCCNC(=O)[C@H](C)SCc1ccccc1Br 65562956 XBSLHSNMPCKDGY-JTQLQIEISA-N 316.264 3.597 0 40 DHAB Cc1ccc(CCNC(=O)Cn2c(C)cc3ccccc32)cc1 72243199 VQUXLSWQUXJKFW-UHFFFAOYSA-N 306.409 3.617 0 40 DHAB Cc1ccsc1CNC(=O)Nc1ccnn1C1CCCC1 72309620 DDAPYSCNOWLGEQ-UHFFFAOYSA-N 304.419 3.690 0 40 DHAB c1ccc(CN2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 72390020 MJZWAHGUYMPAIA-MRXNPFEDSA-N 320.396 3.511 0 40 DHAB c1csc(-c2nc(NC3CC3)ncc2-c2ccsc2)n1 72396676 SNLHCJNOOHUNKB-UHFFFAOYSA-N 300.412 3.903 0 40 DHAB C[C@H](CNC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 73023128 TZLGSIQUEBXENR-QGZVFWFLSA-N 322.452 3.816 0 40 DHAB COc1ccc([C@H]2C[C@H](C)N(Cc3nc(C)c(C)o3)C2)cc1 76391578 BYBMAZJWTHVUAJ-LRDDRELGSA-N 300.402 3.678 0 40 DHAB c1ccc2c(CN3CCCC[C@H]3CN3CCOCC3)cccc2c1 84598428 DEKYQXPVZGGDOO-FQEVSTJZSA-N 324.468 3.527 0 40 DHAB C[C@@H](Nc1ncnc2[nH]ncc12)c1ccccc1C(F)(F)F 84660545 AHZXRBDUEDVWDW-MRVPVSSYSA-N 307.279 3.545 0 40 DHAB CC(C)n1ccc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)ccc21 85876090 PISFKTHSCZCBPG-MRXNPFEDSA-N 314.429 3.910 0 40 DHAB biogenic COc1ccc2c(OCc3nc(C)c(C)s3)ccnc2c1 88521115 JHOBTNBQPAWRBT-UHFFFAOYSA-N 300.383 3.896 0 40 DHAB F[C@@]1(Cl)Oc2ccc(Br)cc2O[C@]1(F)Cl 91252153 DEVDQAXVEGUCIT-SFYZADRCSA-N 319.916 3.945 0 40 DHAB CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc2ccccc2o1 95969208 HBVKEFWHACKJDU-OCCSQVGLSA-N 310.401 3.772 0 40 DHAB Cc1cs/c(=N\C(=O)c2ccccc2)n1Cc1ccccc1 100812552 PWKRNBNAQHEFPN-HNENSFHCSA-N 308.406 3.647 0 40 DHAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccccc2C)c1 216898090 QEFJBPYSMPHOIN-PKNBQFBNSA-N 312.365 3.769 0 40 DHAB COC(=O)c1cn(C(=O)Nc2cccc(OC)c2)c2ccccc12 222654705 WICFHVVBAARBBS-UHFFFAOYSA-N 324.336 3.517 0 40 DHAB CCOc1ccc(CNC(=S)Nc2ccccc2F)cc1 225429973 DOKNWIDYZBJSNQ-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB O=C1CC[C@H](O)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1 257320495 VXBWLGBTQRJBLK-FUHWJXTLSA-N 315.800 3.565 0 40 DHAB CCNc1cc([C@H]2CCCN2Cc2ccc(C)cc2)nc(C)n1 257323052 WIOOWTLQRMPCDM-GOSISDBHSA-N 310.445 3.862 0 40 DHAB CCc1ccccc1C(=O)Nc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 1549725741 YFMRLCCGSRJKAU-SJORKVTESA-N 309.365 3.689 0 40 DHAB c1ccc2oc(NC[C@@H](c3ccsc3)n3cccn3)nc2c1 1775970805 RLKATLGBQPGMOL-AWEZNQCLSA-N 310.382 3.787 0 40 DHAB Clc1ccc(Cn2nnc(-c3ccccc3)n2)cc1Cl 52542 YRYLYTHPXWTYFQ-UHFFFAOYSA-N 305.168 3.695 0 40 DHAB CC(=O)Nc1c(C(=O)C2CC2)oc2ccc(Br)cc12 52839 GWEWZHAFJWTTKQ-UHFFFAOYSA-N 322.158 3.746 0 40 DHAB COc1ccc(-c2nnc(S)n2-c2ccccc2Cl)cc1 67328 LVQNYAYEZZQRJD-UHFFFAOYSA-N 317.801 3.885 0 40 DHAB Cc1ccccc1C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 117686 KPXHARVEDLGLBJ-UHFFFAOYSA-N 320.344 3.809 0 40 DHAB CC(C)Sc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 2193293 WYSRKRWADUMSTB-JTQLQIEISA-N 315.439 3.792 0 40 DHAB Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(F)cc3)C2=O)c1 2198782 DFHNCRLHXUIMIF-CQSZACIVSA-N 316.357 3.772 0 40 DHAB CN(C)c1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 3562799 MTPCVBXRAHMPLE-UHFFFAOYSA-N 323.801 3.507 0 40 DHAB CCCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4699164 DTRFUJARXFDRGZ-UHFFFAOYSA-N 310.397 3.658 0 40 DHAB Cc1csc(SCC(=O)N[C@H](C)CCc2ccccc2)n1 5101612 UKDCIZAYRTWCOF-GFCCVEGCSA-N 320.483 3.681 0 40 DHAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@]21C 5261058 LBVYROVGMKPJAU-FQEVSTJZSA-N 306.409 3.543 0 40 DHAB CCc1nnc2c3ccccc3c(-c3ccc(OC)cc3)nn12 5324598 JLDZKRXZEJKXAT-UHFFFAOYSA-N 304.353 3.516 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)cc1C 5371993 PJRRGCKNBRMXSV-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB CC(=O)N1CCCc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 5373651 YRNSETUPDUQWFI-UHFFFAOYSA-N 322.408 3.855 0 40 DHAB O=C(OCc1nc(-c2ccccc2)no1)c1cccc(Cl)c1 5981106 NAPVJRRCKSLEPR-UHFFFAOYSA-N 314.728 3.747 0 40 DHAB CCCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 7261565 FNNFSGYHLANGLM-UVTDQMKNSA-N 321.398 3.540 0 40 DHAB Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1F 8188697 SESMNUSLQZEJLS-AWEZNQCLSA-N 300.377 3.593 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCC2CCCC2)c1 8355050 WDAYQPYCHOJYIC-CYBMUJFWSA-N 305.418 3.851 0 40 DHAB Cc1csc(=O)n1CC(=O)Nc1ccc(-c2ccccc2)cc1 8391104 RKHUQJILSOYTPJ-UHFFFAOYSA-N 324.405 3.524 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 9367391 TWCMYQIIFFNSAX-JOYOIKCWSA-N 315.373 3.796 0 40 DHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCc2sccc2C1 10341471 MWNOXHTXXOYWSB-LLVKDONJSA-N 320.845 3.787 0 40 DHAB Cc1ccc(OCCCN2C(=O)C(=O)c3cc(C)cc(C)c32)cc1 11692656 SJLGLNATRXZCAN-UHFFFAOYSA-N 323.392 3.610 0 40 DHAB Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 11913747 JWDRKNDIKUUUFO-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc(F)cc2)cc1 12817673 HRSVFPLNFRQJRT-SFHVURJKSA-N 312.388 3.910 0 40 DHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 12995275 DUNTUAZWYJDUKI-ZDUSSCGKSA-N 312.369 3.649 0 40 DHAB CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 13005618 DGTFQSDFTTYGMD-UGSOOPFHSA-N 323.392 3.669 0 40 DHAB CN(C)CN1C(=O)/C(=C\c2ccccc2)c2ccc(Cl)cc21 13629804 OYRHBUBDXSTJFM-YBEGLDIGSA-N 312.800 3.746 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=S)Nc2ccc(OC(F)F)cc2)C1 13865336 GIEMNARTKVACPE-PHIMTYICSA-N 314.401 3.963 0 40 DHAB CCc1ccc(Cn2nccc2NC(=O)c2ccccc2F)cc1 14139841 HUGFLRBQCKAVKM-UHFFFAOYSA-N 323.371 3.885 0 40 DHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCc1ccccc1 20455655 RGSKMLHVSSGZHC-INIZCTEOSA-N 317.816 3.856 0 40 DHAB O=C(CCc1cccnc1)Nc1ccc(-c2nccs2)cc1 22262123 IBTVGKSKZWFCSU-UHFFFAOYSA-N 309.394 3.776 0 40 DHAB CCCCSCC(=O)NCc1ccc(-c2csc(C)n2)o1 23130537 JQZMLAPWPDHFLI-UHFFFAOYSA-N 324.471 3.861 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCCC(C)C)c12 23132823 CVOVCNTWEPHRST-UHFFFAOYSA-N 301.390 3.575 0 40 DHAB COc1ccccc1C1=N/C(=C\c2ccc([C@H]3C[C@H]3C)o2)C(=O)O1 25318145 NDLRFSLZRLMBIR-WBZJUKLNSA-N 323.348 3.756 0 40 DHAB O=C(NCc1ccc(Cl)s1)N[C@H]1CCOc2ccccc21 26167322 LMPNMRSXCSQFKU-LBPRGKRZSA-N 322.817 3.725 0 40 DHAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H]1c1cccs1 27357789 SVDFRFHPWIVLNK-QWHCGFSZSA-N 319.430 3.599 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1F 29483685 DVUWCQJHPRPDEH-GOSISDBHSA-N 312.388 3.692 0 40 DHAB C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cc2ccccc2o1 32768709 DRDDIPIERAKJBZ-KPZWWZAWSA-N 307.349 3.614 0 40 DHAB CC(=O)c1ccccc1NCC(=O)N(c1ccccc1)C(C)C 32819351 VYMGTEPXAOGFNA-UHFFFAOYSA-N 310.397 3.743 0 40 DHAB O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccccc2)no1 33162672 NLJOVHUZSUXTFJ-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB COc1ccc([C@H]2CCCN2Cc2nc(C(C)(C)C)no2)cc1 40066907 TXHISLOTSPFLTO-OAHLLOKOSA-N 315.417 3.713 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-n1cccn1 40114644 ZQMJBVIJDXHOCF-UHFFFAOYSA-N 321.424 3.571 0 40 DHAB CCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 42645975 NRYDBUHMMKUIPK-UHFFFAOYSA-N 317.216 3.628 0 40 DHAB Cc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1 45890245 RDLSICZKURSSAW-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COCCN(Cc1cc(-c2ccc(Cl)cc2)no1)C1CC1 48024236 LKAPBVCVRCIGFZ-UHFFFAOYSA-N 306.793 3.606 0 40 DHAB CN(C)C(=O)c1csc(-c2csc(NCC3CCC3)n2)c1 58471974 HCCPPBYWEKGDNO-UHFFFAOYSA-N 321.471 3.785 0 40 DHAB O=C(c1occc1-c1ccccc1)N1CCC[C@H](n2ccnc2)C1 69816647 VFVAGRPJHRFNIN-INIZCTEOSA-N 321.380 3.620 0 40 DHAB COCCNc1cc(-c2ccnc3ccccc23)c2cc[nH]c2n1 72144859 ANYSNXVTPOVHCL-UHFFFAOYSA-N 318.380 3.836 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2csc(C)n2)c(C)o1 72271579 JDQCAWCPQCQIQO-NXEZZACHSA-N 307.419 3.783 0 40 DHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C2CCCC2)n1 72379128 CQUAWTAZQNPNTJ-KRWDZBQOSA-N 310.445 3.909 0 40 DHAB c1ccc(CCN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)cc1 72395170 NSSFPUIDCQHFQY-VQTJNVASSA-N 317.436 3.835 0 40 DHAB CC(C)(C)C(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 75155364 MJBHDEKBCYEQIA-FQEVSTJZSA-N 311.425 3.723 0 40 DHAB Cc1nnc(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)s1 78753987 DDPBEYYXEQEQKI-CYBMUJFWSA-N 321.471 3.626 0 40 DHAB CCOc1ccccc1CNC[C@@H](c1ccco1)N1CCCC1 78940964 QGHMATYUKKVXJG-KRWDZBQOSA-N 314.429 3.605 0 40 DHAB Cc1ccccc1C[S@@](=O)Cc1noc(-c2ccsc2)n1 79324609 ILUQRDTUIFUZQA-NRFANRHFSA-N 318.423 3.555 0 40 DHAB COc1ccc2cc(NC(=O)c3nc(C)sc3C)cnc2c1 79488867 NGSTZHNVDINWPX-UHFFFAOYSA-N 313.382 3.569 0 40 DHAB CCSc1ccc(Cl)cc1C(=O)NC[C@@H](C)C[C@@H](C)O 84301800 WFIPATHMMXZWDC-WDEREUQCSA-N 315.866 3.589 0 40 DHAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccccc1F 85651278 JJFXXHPHUHPGFX-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB CSCc1cc(F)ccc1CNC(=O)CCC(F)(F)F 87435635 LMCIMUSMVZKNAL-UHFFFAOYSA-N 309.328 3.647 0 40 DHAB CCO[C@@H](C)c1nccn1Cc1cc(-c2cccs2)on1 89521403 YJDXEMCQLQNKSF-NSHDSACASA-N 303.387 3.745 0 40 DHAB C[S@@](=O)c1cccc(NCc2cnc(C(C)(C)C)s2)c1 89761521 RTUQPKVDFYKSOD-FQEVSTJZSA-N 308.472 3.790 0 40 DHAB CN1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 96058414 AXBXJEBMMWIAMQ-RBUKOAKNSA-N 312.482 3.596 0 40 DHAB Cc1ccccc1CN(C)C(=O)CNc1cccc(Cl)c1 98071809 QDYRDZQRLRAOPH-UHFFFAOYSA-N 302.805 3.719 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 101401209 HBUDBVAVBODQEG-HZPDHXFCSA-N 314.429 3.543 0 40 DHAB O[C@H](c1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1[C@H](O)c1ccccc1 104151188 VNZJRGWMHCYVFF-POHNSKBLSA-N 306.405 3.892 0 40 DHAB Cc1nc2[nH]cc(-c3ccccc3)c2c(=N)n1-c1ccc(F)cc1 104228151 VJMJNCBHRLGWEC-UHFFFAOYSA-N 318.355 3.948 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1 134267068 XXLGKBUXQCWBHV-UHFFFAOYSA-N 307.806 3.987 0 40 DHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 222813395 AWXNVONUFHRBMC-ZIAGYGMSSA-N 303.456 3.524 0 40 DHAB CCOC(=O)Cc1csc(Nc2ccc(Cl)cc2C)n1 223448559 RLBFSHZBSPDCFG-UHFFFAOYSA-N 310.806 3.954 0 40 DHAB Fc1ccc(CCCNC(=S)Nc2ccc(Cl)cn2)cc1 223965295 JJOACNUOAPFTNW-UHFFFAOYSA-N 323.824 3.793 0 40 DHAB COc1ccc(C)cc1C[C@@H](Sc1ccccc1)C(=O)O 225118745 WMUWHWBRTTYJGY-MRXNPFEDSA-N 302.395 3.792 0 40 DHAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(C)C1=O 408819989 SKDNBQFEWQIDOL-GDNBJRDFSA-N 313.378 3.905 0 40 DHAB Cc1cccc([C@@H]2CCN(Cc3cn(-c4ccccc4)nn3)C2)c1 544191587 HUDOMAPIUGSRCW-GOSISDBHSA-N 318.424 3.565 0 40 DHAB O=C(NCc1ccc(F)cc1)NCc1ccc(-c2ccco2)o1 575609789 HBUCZJJNJOPCCW-UHFFFAOYSA-N 314.316 3.678 0 40 DHAB O=C1CCN(C(=O)c2ccoc2C2CC2)[C@@H](c2ccccc2)C1 585086105 RNMYQUSAKYJGBE-QGZVFWFLSA-N 309.365 3.703 0 40 DHAB O=C(/C=C/c1cccs1)NCC(c1ccco1)c1ccco1 675007866 WZKKCNRYMXDZFZ-BQYQJAHWSA-N 313.378 3.896 0 40 DHAB O=C(Oc1ccc(Br)cc1Cl)c1ccco1 358978 YDQVGRFFPOQLQY-UHFFFAOYSA-N 301.523 3.915 0 40 DHAB CCC(=O)Nc1nc(C)c(C(=O)Nc2ccccc2Cl)s1 412868 RLJWLCFUCAFQED-UHFFFAOYSA-N 323.805 3.706 0 40 DHAB CCOc1ccccc1NC(=S)NC(=O)c1ccccc1C 1003673 ULCPPGCSWAUJFE-UHFFFAOYSA-N 314.410 3.521 0 40 DHAB O=C(Cc1csc(-c2ccccc2)n1)NCc1cccs1 3358190 JMFROYTUTIQHQF-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB Cc1ccc(C)c(C(=O)CSc2nncn2-c2ccccc2)c1 3546109 ABWHVXAPUFQUQO-UHFFFAOYSA-N 323.421 3.859 0 40 DHAB CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccccc1 4254202 MPPFHSXOHDLPTA-UHFFFAOYSA-N 321.428 3.880 0 40 DHAB Cc1ccc(Cl)cc1-n1ncc2c(NCC(C)C)ncnc21 4354752 MCOBLMBEXGZUEA-UHFFFAOYSA-N 315.808 3.845 0 40 DHAB Cc1cccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 5388423 OMONZARPZFYTOH-UHFFFAOYSA-N 310.784 3.920 0 40 DHAB O=C(/C=C/c1ccco1)Nc1nonc1-c1ccc(Cl)cc1 5483685 NTRJBIVZQKEWOW-BQYQJAHWSA-N 315.716 3.635 0 40 DHAB CNc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 6027146 CIHWWZCOUZAYFN-UHFFFAOYSA-N 308.425 3.823 0 40 DHAB O=C(Cc1cccc2ccccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 6476724 SZQPESSSZJFZNG-NQIIRXRSSA-N 323.436 3.536 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2F)c(Cl)c1 6639003 QLVWCLLEJIAEIX-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)c1 8284412 FZBBFOMZRBMHTG-UHFFFAOYSA-N 317.728 3.524 0 40 DHAB COc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 8942234 ZIQOEUCPTVZRKG-OAHLLOKOSA-N 317.385 3.801 0 40 DHAB O[C@@H]1CCCc2c(OCc3nnc(-c4ccccc4)o3)cccc21 9337506 JLJWGMQBMHASTA-MRXNPFEDSA-N 322.364 3.685 0 40 DHAB c1ccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)nc1 12517029 FRGDAHYPOIJRHL-UHFFFAOYSA-N 311.366 3.720 0 40 DHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)c(C)cc1C 12527961 BWMWWUSZKYMTMS-IBGZPJMESA-N 324.424 3.825 0 40 DHAB COc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC(C)C 12934106 ZJOPXGGYZMQYCW-UHFFFAOYSA-N 303.333 3.874 0 40 DHAB Fc1ccc(F)c(NC(=S)Nc2ccc3c(c2)OCO3)c1 13787684 OXCNIDKEKHPGMJ-UHFFFAOYSA-N 308.309 3.502 0 40 DHAB COc1ccc(-c2cc(CSc3nnc(C)s3)on2)cc1 14076597 PLQQFASSYPELGN-UHFFFAOYSA-N 319.411 3.802 0 40 DHAB COc1cc2c(cc1NC(=O)c1ccno1)oc1ccccc12 14129328 RAKKPEBGEUIAMK-UHFFFAOYSA-N 308.293 3.835 0 40 DHAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnn2-c1ccc(F)cc1 17055969 NYWVUKAVZBNGFY-LBPRGKRZSA-N 322.339 3.630 0 40 DHAB O=C(Cc1ccccc1)Nc1nnc(/C=C/c2ccccc2)s1 17057911 JQMRIHGLWIEJRA-VAWYXSNFSA-N 321.405 3.890 0 40 DHAB Cc1cnc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)s1 17198008 IUMGCOBGWBQLLW-GFCCVEGCSA-N 310.831 3.884 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1 17297518 WHLGAXCAXAGVMT-LBPRGKRZSA-N 321.779 3.605 0 40 DHAB CCc1cc(C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)on1 19522774 QNPXYBONLNWHNH-NEPXVJNWSA-N 324.424 3.939 0 40 DHAB Cc1cccc(NC(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20284995 AMQLEVOLXUVLOG-UHFFFAOYSA-N 304.733 3.991 0 40 DHAB COc1cccc2cc([C@@H](C)NC(=O)CCc3cccnc3)oc12 25140621 VSIWKNZVYXECFQ-CYBMUJFWSA-N 324.380 3.646 0 40 DHAB Cc1ccc(CC(=O)NCCSCc2cccc(C)c2)cc1 30851775 HRBQPLYSEMXPAX-UHFFFAOYSA-N 313.466 3.896 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 31549584 ZTXQNPQSJFMGSV-ZBEGNZNMSA-N 312.344 3.673 0 40 DHAB CN1/C(=C\C(=O)Nc2ccccc2)c2ccccc2CC1(C)C 31857524 PANYDBOUIPAGQU-AQTBWJFISA-N 306.409 3.933 0 40 DHAB COc1ccc(CN(C)C[C@@H](O)c2ccc(Cl)cc2)cc1 31912123 QOWAEAOVVVVSBP-QGZVFWFLSA-N 305.805 3.514 0 40 DHAB CCn1nnc(NCc2ccc(-c3ccc(C)c(Cl)c3)o2)n1 32617013 LPBGFUPQWCEWAY-UHFFFAOYSA-N 317.780 3.527 0 40 DHAB CCCCC(=O)Nc1ccc2nc(NC(=O)CC)sc2c1 32961206 CEMDXTVJYUNTPX-UHFFFAOYSA-N 305.403 3.774 0 40 DHAB Cc1nn(C)cc1-c1cc(C(F)F)nc(NC2CCCCC2)n1 36618547 IDMFMGQEHCYQAG-UHFFFAOYSA-N 321.375 3.868 0 40 DHAB CCc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C)noc2n1 36621648 COGJHEPZPCVJRN-NSHDSACASA-N 309.369 3.585 0 40 DHAB CC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)on2)on1 38488869 QHPYVPDBMUKEOL-UHFFFAOYSA-N 311.341 3.879 0 40 DHAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(SC)cc1 39960746 MRDGCSQQJJJCQY-YESZJQIVSA-N 304.503 3.619 0 40 DHAB biogenic,in-vitro NCCCc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1 40566674 CUYOQVNXWSJVKF-UHFFFAOYSA-N 304.312 3.859 0 40 DHAB Cc1ccc(C)c(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 44901167 WLYKJCHFDAVBSJ-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB O=C(C[C@H]1CCCO1)N[C@@H](Cc1ccccc1)c1ccccc1 46764003 IZMCDNKOLDZEAX-MOPGFXCFSA-N 309.409 3.656 0 40 DHAB COc1ncccc1NC(=O)N1CCC[C@@H]1c1ccsc1 48276686 XTMJHEKSXFMNFE-CYBMUJFWSA-N 303.387 3.521 0 40 DHAB Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C(C)(C)C)on1 57761350 GXPAGUYJACKOJX-LBPRGKRZSA-N 314.433 3.974 0 40 DHAB Cc1cc(CNC(=O)Nc2ccccn2)c2[nH]c(C)c(C)c2c1 58065871 XWXYPPXTYFDKGH-UHFFFAOYSA-N 308.385 3.810 0 40 DHAB CN(C)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 58313084 WXGIPPTYDYELIP-UHFFFAOYSA-N 315.225 3.748 0 40 DHAB CCCNC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 60625665 MAAYBVKDAZCJJD-JAGHRAMZSA-N 320.436 3.993 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 63022387 LBJJHQJBVQCMJW-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCCCC1 70636275 JIDDLXMJJBTCBL-GOSISDBHSA-N 312.413 3.505 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(F)c(C)c2)c(OC)c1 71326114 OJZPGUYCNNCQKU-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cn1cc([C@@H]2CCCN2Cc2csc(C(C)(C)C)n2)cn1 71797212 SPOUTHROMIIPFC-AWEZNQCLSA-N 304.463 3.511 0 40 DHAB COc1cc(F)c(NC(=O)CCc2ccc(F)cc2)cc1OC 71884402 HWCCQJKSSPMVHK-UHFFFAOYSA-N 321.323 3.553 0 40 DHAB CCSc1ccc(C(=O)Nc2cc(CC)ccc2O)cn1 72307572 JFUHTHNFLYSZOT-UHFFFAOYSA-N 302.399 3.714 0 40 DHAB Cc1cc([C@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)n[nH]1 84110294 OCYOORRAIZEWIV-WMZOPIPTSA-N 323.440 3.544 0 40 DHAB CC(=O)Nc1ccccc1CN(Cc1ccc(C)o1)C(C)C 92147070 UHNMILBFMFXJIS-UHFFFAOYSA-N 300.402 3.957 0 40 DHAB CC(=O)N1CCCc2cc(NCc3ccc(C)s3)ccc21 95428963 FFFHPINNQZAKIX-UHFFFAOYSA-N 300.427 3.968 0 40 DHAB O=C(c1ncoc1[C@H]1CCCO1)N1CCC2(CCCCC2)CC1 96406286 XLILIRPVYWLMLU-CQSZACIVSA-N 318.417 3.713 0 40 DHAB Cc1nc(-c2cccc(N[C@@H](C)CCn3cncn3)c2)cs1 97037123 UHSHHFKCRQEFOV-LBPRGKRZSA-N 313.430 3.601 0 40 DHAB BrC1(Br)[C@@H]2[C@H]3CCC4CC[C@@H](C43)[C@H]21 101037958 LCNLPNXCTKUEMJ-NCXNCMMKSA-N 306.041 3.785 0 40 DHAB CC(C)(C)OC(=O)Nc1ccccc1[C@@H](O)c1ccncc1 145539499 YXEXJROVBFAKQS-HNNXBMFYSA-N 300.358 3.510 0 40 DHAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1c1cccc(Cl)c1 210198880 SRWCHQJCIJKPAO-WQLSENKSSA-N 304.758 3.909 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(C2CC2)nc1 222596328 XSOFNJBSBGPRBZ-UHFFFAOYSA-N 307.275 3.625 0 40 DHAB CC1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)CC1 223067074 QVCSQTFBNWQFQE-HNNXBMFYSA-N 301.430 3.591 0 40 DHAB O=C(Cc1ccccc1)NCc1cccc(CN2CCCCC2)c1 224644418 VUUDVQKMCYVNBQ-UHFFFAOYSA-N 322.452 3.531 0 40 DHAB O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)N1CCCC1 225147810 WKQOLZQUOAJUQW-GOSISDBHSA-N 311.381 3.570 0 40 DHAB C[C@H](COc1ccccc1)NC(=S)Nc1ccccc1F 225782127 VCSILOUIGSQWBD-GFCCVEGCSA-N 304.390 3.580 0 40 DHAB CCCCOc1ccc(NC(=O)C(C)(C)C)cc1C(=O)OC 225784933 LAUZWVJGOJHSNF-UHFFFAOYSA-N 307.390 3.637 0 40 DHAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C)n1 225894039 ILVXTWUFZOFVSV-KRWDZBQOSA-N 308.422 3.569 0 40 DHAB CCC[C@@H](C)NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225918456 JGNIJQFQLPMSNV-GFCCVEGCSA-N 312.417 3.755 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@H](O)C(=O)CC[C@@]43C)[C@@H]1CCCC2=O 245190552 PSDYUQOKDCQVKL-UFUZVNNQSA-N 318.457 3.528 0 40 DHAB O=S(=O)(CNc1ccc(Cl)cc1)c1ccc(Cl)cc1 255190635 YLJHWOBHRAWONB-UHFFFAOYSA-N 316.209 3.837 0 40 DHAB Cc1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260780953 SAEGZKMOOHJDEP-XOKHGSTOSA-N 309.438 3.979 0 40 DHAB CC(=O)c1c(F)cccc1N1CCC[C@@H](CC(=O)OC(C)C)C1 274246055 VXGVEURPFFSXTJ-AWEZNQCLSA-N 321.392 3.586 0 40 DHAB CCC(CC)NC(=O)[C@@H]1CCc2[nH]nc(-c3ccsc3)c2C1 306126106 DNAUWDKQMPGSRJ-LLVKDONJSA-N 317.458 3.548 0 40 DHAB Cc1ccc(NCc2ccccc2OCC(=O)O)cc1Cl 409116885 MKWMDOVSHAYDQR-UHFFFAOYSA-N 305.761 3.724 0 40 DHAB CSC[C@H](C)C(=O)NCc1ccc(-c2scnc2C)cc1 585131379 UBZKBNMLCKCMRE-NSHDSACASA-N 320.483 3.734 0 40 DHAB COC(=O)c1ccc(-c2ccc(Br)cn2)c(C)c1 675038110 MLZVHKXPICWIBX-UHFFFAOYSA-N 306.159 3.606 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cccc(F)c1C2=O 1857794710 MBUVURFUVHCVTQ-UHFFFAOYSA-N 319.376 3.582 0 40 DHAB COc1cccc(O[C@H](C)CNC(=N)Cc2cccc(C)c2)c1 846 JRYTUFKIORWTNI-OAHLLOKOSA-N 312.413 3.580 0 40 DHAB in-man O=C(OC1CCCCC1)c1ccc(NC(=O)C(F)(F)F)cc1 37871 RGERMNMFDSACAI-UHFFFAOYSA-N 315.291 3.677 0 40 DHAB C[C@H](NC(=O)c1ccccc1Br)c1ccccc1 48352 ACDYXIJZDMIJJB-NSHDSACASA-N 304.187 3.940 0 40 DHAB CCOc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1 190772 XJKWKOISBKGQHT-ATVHPVEESA-N 307.349 3.738 0 40 DHAB S=C1NC(c2ccccc2)=C[C@@H](c2ccc(Cl)cc2)N1 195927 ITNSDJNIGHXYRS-HNNXBMFYSA-N 300.814 3.900 0 40 DHAB Cc1cc(C)n2nc(SCc3c(F)cccc3Cl)nc2n1 217168 XZVIRUPNOWLDGW-UHFFFAOYSA-N 322.796 3.826 0 40 DHAB COc1ccc(/C=C/c2ccc(OC)c(OC)c2)cc1OC 242353 VGPRCRYWPJJTKG-AATRIKPKSA-N 300.354 3.891 0 40 DHAB CC(C)(C)Oc1ncc(-c2ccccn2)c(OC(C)(C)C)n1 480961 KHBUSKNVQJDVGT-UHFFFAOYSA-N 301.390 3.893 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 917716 BFVIBMGKIIFIGN-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB C[C@@H](C(=O)c1ccc(Cl)cc1)[C@H]1OC(=O)C(Cl)=C1Cl 1622423 BAHJXRKPPQZQDT-PWCHPLFNSA-N 319.571 3.773 0 40 DHAB CC(C)CCCCCCOc1ccc([C@H]2CC(=O)NC2=O)cc1 2087206 YDHVSMZGODJWBP-QGZVFWFLSA-N 317.429 3.802 0 40 DHAB biogenic COc1cccc(OC)c1C(=O)OCc1c(F)cccc1Cl 3315525 KVIQLYAYIABWRE-UHFFFAOYSA-N 324.735 3.853 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2cccc3ccccc23)c1 3443016 PVKQVGCSZNQSOG-UHFFFAOYSA-N 319.360 3.944 0 40 DHAB Cc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1 4586136 ODTGFJURFQJAOM-UHFFFAOYSA-N 312.423 3.673 0 40 DHAB O=C(O)Cc1ccc(NCc2ccc(Br)cc2)cc1 4638822 LXHMJJURDUVLPT-UHFFFAOYSA-N 320.186 3.688 0 40 DHAB CCC(CC)C(=O)Nc1nnc(CCc2ccccc2)s1 4694984 XVSSPOTZCSZCQR-UHFFFAOYSA-N 303.431 3.698 0 40 DHAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5529957 VGJUOWGYQZYCII-NTHNXFDUSA-N 314.469 3.674 0 40 DHAB biogenic Nc1nc(N)c2c(-c3ccccc3)cc(-c3ccccc3)nc2n1 5532238 RDYGUDRNBDHLNS-UHFFFAOYSA-N 313.364 3.523 0 40 DHAB Cc1cc(C)c(OC[C@@H](O)CN(C)C2CCCCC2)c(C)c1 6008552 YUHHTAQBGVWCLG-SFHVURJKSA-N 305.462 3.616 0 40 DHAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1CN1CCCC[C@H]1C 6260717 BMQMLQFXJOOBME-MLGOLLRUSA-N 319.836 3.553 0 40 DHAB Nc1ccccc1CCCNC(=O)Nc1ccc(Cl)cc1 6276735 AGMZGORCAGJABJ-UHFFFAOYSA-N 303.793 3.677 0 40 DHAB COc1ccccc1CNC(=S)Nc1ccc(F)c(Cl)c1 7521037 HMAVBGJWPLRHOW-UHFFFAOYSA-N 324.808 3.974 0 40 DHAB C[C@H]1Oc2ccc(NC(=O)CCC3CCCCC3)cc2NC1=O 8014286 QFBMBVSSOLQKOA-GFCCVEGCSA-N 316.401 3.705 0 40 DHAB O=c1[nH]nc(SC2c3ccccc3-c3ccccc32)n1C1CC1 8503988 CXZXFJZOUQEBBU-UHFFFAOYSA-N 321.405 3.768 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cccs2)cc1C(F)(F)F 8724677 FXHXSGLQLDHFTR-UHFFFAOYSA-N 321.345 3.876 0 40 DHAB Cc1nc(/C=C/C(=O)N[C@H](C)c2ccccc2Cl)cs1 8748341 AZQVDOKRJVBALB-QROSGCPLSA-N 306.818 3.996 0 40 DHAB CCc1noc(C)c1C(=O)Nc1c(C)nn(-c2ccccc2)c1C 10540937 IMTSXPJRHRRJPF-UHFFFAOYSA-N 324.384 3.600 0 40 DHAB Cc1ccc(C(=O)O)cc1Nc1cc(-c2ccccc2)ncn1 11903118 MXEYNZTXSIWIDL-UHFFFAOYSA-N 305.337 3.894 0 40 DHAB CC(C)(C)c1ncc(C(=O)Nc2cccc(N3CCCC3)c2)cn1 12148446 VVRDICUHFXVGNY-UHFFFAOYSA-N 324.428 3.627 0 40 DHAB C[C@]12C[C@H](NC(=S)N1c1ccccc1F)c1ccccc1O2 12415477 OOXGMAHIANFIIA-GUYCJALGSA-N 314.385 3.760 0 40 DHAB O=C(Cc1cc(-c2cccs2)on1)N1CCc2ccccc21 12422242 LRXKJENZFYYRDK-UHFFFAOYSA-N 310.378 3.535 0 40 DHAB COc1ccc2nc(C)c(C(=O)Nc3cc(C)ccn3)cc2c1 12538756 OTQIMJAAWSZOGF-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB O=C(NCc1ccccc1)c1occc1COc1ccccc1 12617734 XEDIENCHGNNXJD-UHFFFAOYSA-N 307.349 3.789 0 40 DHAB CCc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 12796359 QQKWMNWEBZCGPI-UHFFFAOYSA-N 322.408 3.624 0 40 DHAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C)cc2C)c1 12989914 ICWRNXUQUBTUQR-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)c3cccc(F)c3F)c2c1 13961455 BQUUZEFZRWCGGV-UHFFFAOYSA-N 314.335 3.727 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 18029468 ZVWXFWULDPMRPC-UHFFFAOYSA-N 304.349 3.932 0 40 DHAB COc1ccccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 18173616 DSNSIYVSKOGTAG-SNVBAGLBSA-N 302.296 3.501 0 40 DHAB CC(=O)c1cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c1 22058205 UAOGZDZSPLFLFM-UHFFFAOYSA-N 320.385 3.792 0 40 DHAB in-vitro CSc1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1 22233941 NRCQRLXCPGKQKY-UHFFFAOYSA-N 310.378 3.502 0 40 DHAB COc1cccc2cc([C@H](C)NC(=O)c3cccs3)oc12 25139609 QNEFVIQXUPUJTN-JTQLQIEISA-N 301.367 3.994 0 40 DHAB Fc1ccccc1Nc1nn(CN2CCCC2)c(=S)s1 25285872 SMSLFODGVTUPFY-UHFFFAOYSA-N 310.423 3.610 0 40 DHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nc(C)ns2)c1 27750014 WRBCBHWRTMUQGP-LLVKDONJSA-N 319.430 3.684 0 40 DHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 30768702 OMEORTBFUKHXQV-UHFFFAOYSA-N 316.637 3.677 0 40 DHAB CCc1ccc2ncnc(NCCc3ccc(OC)cc3)c2c1 32541124 YVMYKWOMEFUSLX-UHFFFAOYSA-N 307.397 3.855 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCCOC2CCCCC2)s1 32748270 MWRUXZONKYELQN-ZHACJKMWSA-N 307.459 3.925 0 40 DHAB O=C(NCCSC1CCCC1)Nc1c(F)cccc1F 40097564 QCLJQUPJVQNAHI-UHFFFAOYSA-N 300.374 3.762 0 40 DHAB Cc1c(C(=O)N2CCC[C@H]2c2cccs2)cnn1C(C)(C)C 40141317 WDNFJSIFDLMKQT-AWEZNQCLSA-N 317.458 3.985 0 40 DHAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@@H](C)c1cccc(F)c1 40553304 DAEWJFZTJNQCIH-NSHDSACASA-N 317.408 3.885 0 40 DHAB C[C@H](Cc1ccco1)NC(=O)N[C@H]1CCSc2ccccc21 48253720 CAOGGRJYXQDYGS-DOMZBBRYSA-N 316.426 3.747 0 40 DHAB CS[C@@H](C)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 53547386 LZSGBQMBZVGJMT-LBPRGKRZSA-N 315.442 3.576 0 40 DHAB Fc1ccccc1N1CCN(Cc2cccc3cccnc23)CC1 54191607 IXFKPELWFUMUPB-UHFFFAOYSA-N 321.399 3.696 0 40 DHAB O=C(Cc1ccccc1Cl)NCCCOC1CCCCC1 61547101 XBYOLUWRMGPAMQ-UHFFFAOYSA-N 309.837 3.738 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccc(N(C)C)c(F)c3)cc2o1 65850907 FTRISDXWZOJCEP-UHFFFAOYSA-N 313.332 3.594 0 40 DHAB CC[C@@H](O)CN(Cc1ccccc1)Cc1c[nH]c2ccccc12 68605854 LTOUAOJCUILPSO-GOSISDBHSA-N 308.425 3.941 0 40 DHAB CCCCN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C 72219650 ZKPGKWBBLOQCQO-SFHVURJKSA-N 317.477 3.554 0 40 DHAB CCCN(CC(F)F)C(=O)[C@H]1C[C@]12CCCc1ccccc12 72304082 WGHPGOZDBNZRRQ-QAPCUYQASA-N 307.384 3.784 0 40 DHAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 73652496 UDCUFWXNFAVXPZ-MRXNPFEDSA-N 304.434 3.518 0 40 DHAB C[C@@H](c1cccnc1)N(C(=O)c1ncoc1-c1ccco1)C1CC1 74564857 NCTGZQHMRPCRKN-LBPRGKRZSA-N 323.352 3.695 0 40 DHAB O=C(NCc1ccccn1)Nc1cc(C(F)(F)F)ccc1F 75127110 STBGNAXNNAGAPL-UHFFFAOYSA-N 313.254 3.561 0 40 DHAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1C 80345243 PDFLDYOYTDFPTO-SJORKVTESA-N 323.392 3.817 0 40 DHAB COc1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1 91302958 MJWQBSTWWJOAFJ-UHFFFAOYSA-N 317.429 3.910 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)c1cc(F)cc2[nH]cnc12 95365141 WAEVNDYNWIUSEP-SECBINFHSA-N 303.362 3.597 0 40 DHAB CC(C)(C)[C@H](NCc1cccc2c1OCCO2)C(F)(F)F 95405708 IMGGTAARJKJECJ-ZDUSSCGKSA-N 303.324 3.524 0 40 DHAB C[C@H]1C[C@@H](NCCc2ccccc2F)CN1Cc1ccccc1 95419366 JAPHTMCASRQQGO-QFBILLFUSA-N 312.432 3.621 0 40 DHAB CC(C)(C)c1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1 95533464 UVNIZPJGGOHQTM-MRXNPFEDSA-N 306.413 3.817 0 40 DHAB Oc1ccc(CCc2nc(-c3cc4ccccc4o3)no2)cc1 95940719 MLWBLCQAJYLEPS-UHFFFAOYSA-N 306.321 3.974 0 40 DHAB CCS[C@H]1CC[C@@H](N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 95979111 IQKCPKRVDUUXCB-OLZOCXBDSA-N 309.479 3.588 0 40 DHAB O=C(OCCCc1cccnc1)c1cnc(-c2ccoc2)s1 96416387 IRGXXYMGUJPXPB-UHFFFAOYSA-N 314.366 3.588 0 40 DHAB CCOC(=O)c1cc(Br)c(Cl)nc1C(F)F 96529289 SVSWYVCLTUGWNX-UHFFFAOYSA-N 314.513 3.612 0 40 DHAB O=C(CCc1ccc2ccccc2n1)c1ccc2c(c1)OCO2 199737480 QCYOVCOQTDITLA-UHFFFAOYSA-N 305.333 3.779 0 40 DHAB O=C(NC1CCCC1)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226751261 FDMXRNTWUKIIDU-UHFFFAOYSA-N 323.318 3.564 0 40 DHAB CC1CCN(C(=O)NC(=S)c2cccc3ccccc23)CC1 408732895 UJOACAXTGSRLNB-UHFFFAOYSA-N 312.438 3.957 0 40 DHAB C[C@H](NCc1ccsc1C(F)(F)F)c1ccnc(O)c1 529583645 CBTIGYRPNARFMN-QMMMGPOBSA-N 302.321 3.718 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccsc1)c1cc2ccccc2o1 575621581 PSJZTLCZVZIVSL-AWEZNQCLSA-N 314.410 3.527 0 40 DHAB Cc1c[nH]cc1C(=O)N1CCC(c2ccnc3ccccc23)CC1 576457341 OLAPOYZSGAJVDH-UHFFFAOYSA-N 319.408 3.891 0 40 DHAB CCCC(=O)OCCCC(F)(F)C(F)(F)Br 1083809196 WWNSWDKBEDWNPV-UHFFFAOYSA-N 309.097 3.733 0 40 DHAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(F)cc1 55342 HJWTZZNQEQFMJV-NTEUORMPSA-N 301.704 3.824 0 40 DHAB CCc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 133336 FRPZANYOFAJXJE-UHFFFAOYSA-N 323.421 3.871 0 40 DHAB CCOc1ccc(N2C(=O)CN=C2Nc2ccc(C)c(C)c2)cc1 1360534 QPPAHQBIZDNJPR-UHFFFAOYSA-N 323.396 3.517 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1c(C)cccc1C 3102878 QKUHVSGNJXVPRD-HNNXBMFYSA-N 304.434 3.575 0 40 DHAB O=C(Nc1ccc(F)cc1F)C(F)(F)Oc1ccc(F)cc1 3117016 SIQNUIZYKFMWIK-UHFFFAOYSA-N 317.213 3.714 0 40 DHAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2C)c(C)c1 3487392 HUPWWQDJFPQUJH-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB Cc1cccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)c1C 4062638 KJEKOFIUIOFOTL-UHFFFAOYSA-N 320.392 3.925 0 40 DHAB C=CSc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 5032450 ACSTZXLCIKGXIB-UHFFFAOYSA-N 313.378 3.946 0 40 DHAB C[C@H]1N(C)c2cc3c(cc2C1(C)C)c(C(F)(F)F)cc(=O)n3C 5141582 IOUKYANHUBKAIN-SECBINFHSA-N 324.346 3.673 0 40 DHAB in-vitro CCc1ccc([C@@H](C)NC(=O)Cn2c(C)nc3ccccc32)cc1 5627653 BFORTRWJPUIVOG-CQSZACIVSA-N 321.424 3.785 0 40 DHAB O=C(O)c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 5816446 RUFFAMSMMREMNC-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB Cc1ccc(-c2nnc(SCC(=O)O)c3ccccc23)cc1 6215077 ILRNILYBTKQBKM-UHFFFAOYSA-N 310.378 3.782 0 40 DHAB CNc1ccccc1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 6363787 GLXMAGXILJIAQO-LBPRGKRZSA-N 322.364 3.638 0 40 DHAB CSc1ccc(/C=C/C(=O)NCc2nc3ccccc3[nH]2)cc1 6588832 FIZAAFWVOQLNDX-DHZHZOJOSA-N 323.421 3.614 0 40 DHAB CCc1ccc2occ(CC(=O)NCc3ccc(OC)cc3)c2c1 6809765 RCEFQLNTOWHWKH-UHFFFAOYSA-N 323.392 3.863 0 40 DHAB Cc1nc2ccc(NC(=O)c3cn4ccccc4n3)cc2s1 6909048 ZVYASAORSKIHTI-UHFFFAOYSA-N 308.366 3.505 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 7928046 WWTKHOZBBBJWNJ-INIZCTEOSA-N 322.408 3.603 0 40 DHAB Cc1cccc(OCCSc2nc(-c3ccccc3)n[nH]2)c1 8510178 XUGXBIIQMMNIRF-UHFFFAOYSA-N 311.410 3.951 0 40 DHAB Cc1ccc(-n2[nH]c3nccc(-c4ccccc4)c3c2=O)cc1C 10157179 JRBJSMJSTFGUSE-UHFFFAOYSA-N 315.376 3.998 0 40 DHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccoc1 10579377 YEXRKFBVIBJVSY-UHFFFAOYSA-N 313.382 3.742 0 40 DHAB Cc1ccc(-n2nnc(C(=O)OCc3ccccc3C)c2C)cc1 12415680 LPBGUXLOIIMJNM-UHFFFAOYSA-N 321.380 3.550 0 40 DHAB CCc1nc2ccccc2n1[C@H](C)C(=O)N1CCc2ccccc21 12520507 ZJXBMZKPKVRROM-CQSZACIVSA-N 319.408 3.749 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1 12657476 DGGRAIWDQYLBSY-UHFFFAOYSA-N 315.323 3.516 0 40 DHAB O=C(c1ccncc1)N1CCc2sccc2[C@H]1c1ccccc1 12888075 GJRZYJOCUASJKF-GOSISDBHSA-N 320.417 3.931 0 40 DHAB CC(C)CCCNC(=O)NCc1coc(-c2cccs2)n1 12985208 BRHRUYAZZYVQRO-UHFFFAOYSA-N 307.419 3.639 0 40 DHAB C[C@H]1c2ccsc2CCN1CC(=O)NCCC1=CCCCC1 16420645 HCCLLOMHESGBEP-AWEZNQCLSA-N 318.486 3.674 0 40 DHAB COc1ccc2c(c1)O[C@@H](C)C/C2=C\CC1(C)C(=O)CCC1=O 16608293 XOHQEBSXZVYUAN-OXBCTQFSSA-N 314.381 3.578 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CSc1ccccn1 16839863 UMPNCNJQUPFLTJ-AWEZNQCLSA-N 303.427 3.737 0 40 DHAB CCN(C)[C@@H]1CN(C(=O)c2ccccc2)C2(CCCCC2)C1 19704914 IRAJNVRXTZLCIM-KRWDZBQOSA-N 300.446 3.556 0 40 DHAB Cc1c(C(=O)NCCc2cccs2)oc2ccc(F)cc12 23761330 UBJSJGZGRZACKJ-UHFFFAOYSA-N 303.358 3.914 0 40 DHAB CN(Cc1ccc(-n2cccn2)cc1)[C@@H]1CCc2ccccc21 29488886 AGFZHTISROCYEO-HXUWFJFHSA-N 303.409 3.992 0 40 DHAB c1ccc(-n2ccnc2SCc2nc(-c3ccco3)no2)cc1 32754602 UHWVKIQAJKYZFV-UHFFFAOYSA-N 324.365 3.808 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CCOc2cccc(Cl)c2)o1 40091147 CVNOJOLIXSTHOS-LBPRGKRZSA-N 307.777 3.888 0 40 DHAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1S 40175668 UYZRCGHTXHNOGK-UHFFFAOYSA-N 301.289 3.719 0 40 DHAB O=C(Nc1cccc(NC(=O)[C@@H]2CC=CCC2)c1)c1cccnc1 40509630 YSZGRNXFOVWPHY-CQSZACIVSA-N 321.380 3.629 0 40 DHAB CSc1ccc(C(=O)c2ccc(C3OCCO3)cc2)cc1 43212634 BWPSETVIBXYVNL-UHFFFAOYSA-N 300.379 3.685 0 40 DHAB COc1ccc(CNC(=O)Nc2ccccc2Cl)cc1OC 43468231 GLKMHFZOMWXIRY-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB Cc1noc(C)c1C(=O)NCCCCOc1ccc(Cl)cc1 44891443 CKPLHYUUFGIBAE-UHFFFAOYSA-N 322.792 3.534 0 40 DHAB Cc1ccc(C)c(C(=O)NCc2cccc(CN3CCCC3)c2)c1 46374515 CIEQDOWEXRTCDY-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1 48044607 LSKPANNGZHDXJD-UWVGGRQHSA-N 322.257 3.660 0 40 DHAB COc1ccccc1CNC(=O)N[C@H]1CCCc2ccccc21 48310337 DVHIKXCORBHACG-KRWDZBQOSA-N 310.397 3.572 0 40 DHAB CCOc1cccc(CNC(=O)c2c(F)cccc2Cl)c1 48377403 PUSDOWPZSQZGEV-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB O=C(N[C@H](c1ccc(Cl)cc1)c1ccsc1)[C@@H]1CCCO1 57084116 FQLWAXCIOPKOJT-LSDHHAIUSA-N 321.829 3.786 0 40 DHAB CCc1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 60966843 YLHSSKDWCFRDFX-MRXNPFEDSA-N 311.425 3.765 0 40 DHAB CCCOc1cccc(NC(=O)N(C)Cc2csc(C)n2)c1 65361189 DELJICWJEDLMTJ-UHFFFAOYSA-N 319.430 3.904 0 40 DHAB CCC(CC)C(=O)N1CCC(c2n[nH]c(=S)n2C(C)C)CC1 68435664 LNMRGJJJBHZLOH-UHFFFAOYSA-N 324.494 3.664 0 40 DHAB O=C(CCc1ccccn1)Nc1nc2c(s1)CCCCCC2 68735750 OGGDUQZZCMNKAV-UHFFFAOYSA-N 315.442 3.768 0 40 DHAB N=C(NCCc1cccc2ccccc12)NCc1ccccc1 69350391 RJPWIKWWLGLGFZ-UHFFFAOYSA-N 303.409 3.696 0 40 DHAB C[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(Cl)c1 69808417 HSSRBVDLWLGQTB-GTJPDFRWSA-N 321.829 3.616 0 40 DHAB CC[C@H](NC(=O)N(C)CCc1cccs1)c1nc(C)cs1 78952758 VYUSUOOTGQWYJI-ZDUSSCGKSA-N 323.487 3.848 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)[C@H](O)c2ccc(OC)cc2)cc1 79074414 LQBGMBCVASNFPQ-UGSOOPFHSA-N 313.397 3.566 0 40 DHAB Cc1ccccc1-c1nnc(Sc2ccc3nccnc3n2)o1 95395421 WYPWQXUMTROMJG-UHFFFAOYSA-N 321.365 3.534 0 40 DHAB COc1cccc2cc([C@@H](C)N[C@@H](C)C3CCOCC3)oc12 95419648 SJUDFDRNBYVODX-QWHCGFSZSA-N 303.402 3.907 0 40 DHAB CC[C@@H](N[C@@H](C)c1ccc(OC)cc1F)c1c(C)nn(C)c1C 95968715 MGTYKPHEBLNZGX-APPDUMDISA-N 319.424 3.987 0 40 DHAB O=C(Nc1cccc2ccccc12)c1cc(-c2cccnc2)n[nH]1 96118091 LZYWOLYKEWKPQK-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB Cc1c2c(=S)[nH]nc(S)c2nn1-c1ccc(Cl)cc1 96306029 SRSSDKSOKHLTHZ-UHFFFAOYSA-N 308.819 3.729 0 40 DHAB CN(C)c1cccc([C@@H]2CCCN2C(=O)CCc2ccco2)c1 96410199 KFQDTOYCNNXQIH-SFHVURJKSA-N 312.413 3.642 0 40 DHAB C[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccsc1 97234239 LATNOJOFZRWJLS-IUODEOHRSA-N 318.446 3.512 0 40 DHAB C[C@@H](c1cccnc1)N(C)Cc1cnc(-c2ccccn2)s1 97375241 YFAGEKCTVDAGFK-ZDUSSCGKSA-N 310.426 3.793 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](C(=O)O)[C@@H]2C[C@H](O)c1ccccc1 100363952 DYCAJMGMLIVAOG-MZZPOWALSA-N 302.414 3.883 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2)cc1C 219512044 HXPLKZDATVUSHA-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB COc1ccc(C)cc1Nc1ccc(C(=O)OC(C)C)cc1N 225433979 MBLRQTMCLOFOGU-UHFFFAOYSA-N 314.385 3.895 0 40 DHAB O=C(COc1cccc2c1CCCC2)Nc1ccc(F)cc1F 225855660 YZKRQRSCHQYJDC-UHFFFAOYSA-N 317.335 3.861 0 40 DHAB COC(=O)c1cccc(NC(=S)NC2(C)CCCCC2)c1C 225859207 GELXKZXBDKILLT-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB C[C@@H]1C[C@H](OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)CC(C)(C)C1 247860762 FWSHCMODWGVIGW-SFFUCWETSA-N 311.510 3.842 0 40 DHAB Cc1cnc(NC(=O)c2cc(Cl)cc3c2O[C@@H](C)C3)s1 252490485 KUWCNLANGUOQII-ZETCQYMHSA-N 308.790 3.681 0 40 DHAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 253578444 YIVPJNWRBALPOE-VDERGJSUSA-N 313.784 3.598 0 40 DHAB Cc1cc(NC(=O)c2cc(C)n(C)c2C)ccc1Br 339917815 WFROYCSPGCAACQ-UHFFFAOYSA-N 321.218 3.965 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1cccc2ccccc12 409380696 BDVSGDNXXVXYMJ-STEAMIEHSA-N 317.388 3.537 0 40 DHAB C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ncccc1Cl 585085651 IELFJCPOESZYNN-SNVBAGLBSA-N 304.752 3.634 0 40 DHAB COc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1776001273 IZEPXGFUWKBBAL-ROUUACIJSA-N 311.425 3.872 0 40 DHAB CCOC(=O)COc1cc(C)c(Br)cc1C(C)C 150761 WDAXLLSNMZOQHX-UHFFFAOYSA-N 315.207 3.823 0 40 DHAB Cc1ccccc1-n1nc2c(c1NC(=O)C(C)(C)C)CSC2 190330 OJJPULCNKQQIOQ-UHFFFAOYSA-N 315.442 3.912 0 40 DHAB OCCN(C(=S)Nc1ccccc1)c1cccc(Cl)c1 336352 HPZBDVWRMXSFSH-UHFFFAOYSA-N 306.818 3.536 0 40 DHAB Cn1nc(OC(=O)Nc2ccc(Cl)cc2)cc1C(F)(F)F 1393834 QXILJPYWVLEEMJ-UHFFFAOYSA-N 319.670 3.703 0 40 DHAB CCOC(=O)c1cccc(C(=O)CCc2cccc(F)c2)c1 2517326 GHIYCBWBXYITQU-UHFFFAOYSA-N 300.329 3.818 0 40 DHAB Cc1cc(C)nc(SCc2cn3cc(Cl)ccc3n2)n1 2596143 YWYACOSMRWGSEW-UHFFFAOYSA-N 304.806 3.687 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 3316860 DWSJJMVYLMSRFX-UHFFFAOYSA-N 317.410 3.596 0 40 DHAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1F 3360414 ZYTDWLPHPPLEID-UHFFFAOYSA-N 324.307 3.640 0 40 DHAB CC[C@@H](C(=O)OCC(=O)Nc1cccc(C)c1)c1ccccc1 3446613 JXZJXKWEXYIUJY-QGZVFWFLSA-N 311.381 3.671 0 40 DHAB CCOc1ccc2nc(NC(=O)c3c(C)noc3C)sc2c1 3533504 YMGUFEKVTNNQGR-UHFFFAOYSA-N 317.370 3.552 0 40 DHAB O=C(NCc1ccccc1)c1cccc2c1-c1ccccc1C2=O 4782868 IJOBHHRDJNYRIH-UHFFFAOYSA-N 313.356 3.828 0 40 DHAB Cn1c(CNC(=O)c2cccs2)cc2cc(Cl)ccc21 4973500 CWFVEFXOCGRXMH-UHFFFAOYSA-N 304.802 3.823 0 40 DHAB CC(=O)c1c(O)cc2c3c1OC(C)(C)[C@H]1CC[C@@](C)(C[C@H]31)O2 5440825 AHFQKUOGPHVZLT-FHGNATFXSA-N 302.370 3.801 0 40 DHAB biogenic CC[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1C 6745810 LLUNIYQKWMSZIS-QGZVFWFLSA-N 310.397 3.867 0 40 DHAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 6919593 GJZPAMKOINAXMU-UHFFFAOYSA-N 301.411 3.539 0 40 DHAB C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)NC1CC1 7977372 OGPPGVVNZCSRFE-SNVBAGLBSA-N 304.440 3.569 0 40 DHAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(Cl)cc2)cc1 8389950 VUNQRJQVLPRWPF-NSHDSACASA-N 304.777 3.788 0 40 DHAB O=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCC1 9058113 ZFRVHKVTIZJLER-UHFFFAOYSA-N 315.442 3.587 0 40 DHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1 9169102 HPXZZXVMAVIDAT-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)OCO3)c(Cl)c1 9592738 JXVRPBXPECWVJW-UHFFFAOYSA-N 303.745 3.938 0 40 DHAB C[C@H](Sc1ncnc2c1cnn2C)c1ccccc1Cl 11682650 CYFQAJJKZQZWOT-VIFPVBQESA-N 304.806 3.870 0 40 DHAB CCCc1cc(CNC(=O)c2cc3cccc(C)c3nc2C)on1 12192490 WVKVIMYXCFPHBJ-UHFFFAOYSA-N 323.396 3.722 0 40 DHAB COc1cccc(-c2noc3nc(C(C)C)cc(C(=O)O)c23)c1 12397982 GOMRTBLXESXNNC-UHFFFAOYSA-N 312.325 3.720 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(C(C)(C)C)cc1 12417720 JYAYGACMDBQVJS-JZXOWHBKSA-N 319.489 3.987 0 40 DHAB CC(=O)c1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1 13878993 HAFOSPMRGLPGGE-UHFFFAOYSA-N 310.382 3.574 0 40 DHAB Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2F)c(C)c1 14037490 NCALZPOQPABROL-UHFFFAOYSA-N 316.401 3.878 0 40 DHAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 14171674 LDZIBXGPLKGDGR-HZPDHXFCSA-N 300.402 3.822 0 40 DHAB O=C1CSc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2N1 15417922 ZUBOTTFSZGKHOX-UHFFFAOYSA-N 318.785 3.637 0 40 DHAB CC(CNC(=O)c1ccccn1)(c1ccccc1)c1ccccc1 16176668 LKMZXZQETVWFQU-UHFFFAOYSA-N 316.404 3.818 0 40 DHAB C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@H](C)O1 17326235 SJACXJCFCJVRHS-VXGBXAGGSA-N 319.788 3.849 0 40 DHAB O=C(OCc1cc(-c2ccco2)on1)c1cc2c(s1)CCC2 18468070 WQEUEIDQIQVTRO-UHFFFAOYSA-N 315.350 3.842 0 40 DHAB Cc1nonc1CN(C)Cc1cccc(-c2ccc(F)cc2)c1 19658560 KNZKATCFPLHXHH-UHFFFAOYSA-N 311.360 3.816 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(N)c2)c1 19736439 WQJNMUBFQDONLS-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CCC[C@@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20038728 MCHXLEZGLRTCAK-MRXNPFEDSA-N 302.462 3.837 0 40 DHAB CC(C)[C@H]1O[C@@H](COc2ccccc2)CN1Cc1ccco1 20146130 KWCVCDXOLNZGNY-QZTJIDSGSA-N 301.386 3.542 0 40 DHAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)C 21768831 HBIFSGYLMSCYGL-UHFFFAOYSA-N 319.202 3.521 0 40 DHAB O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCCCC1 26110875 PEKFANREWYRSFI-UHFFFAOYSA-N 322.257 3.699 0 40 DHAB CC(C)(C)C(=O)NCc1ccc(-c2nc3cnccc3o2)cc1 32096268 CXJZHMKWSRXRAY-UHFFFAOYSA-N 309.369 3.552 0 40 DHAB NC(=O)c1sc2cccc(F)c2c1COc1ccccc1 32891591 JFVDEQKXCLQSQB-UHFFFAOYSA-N 301.342 3.718 0 40 DHAB CC(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 32895277 WAIMGWRSTPRZIR-IBGZPJMESA-N 307.397 3.815 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)Cc2cccs2)c(Cl)c1 32901255 QTRUIJTYFIZCFC-UHFFFAOYSA-N 315.847 3.531 0 40 DHAB Cc1cc(N2CCC[C@@H](c3nc4ccccc4o3)C2)nc(C)n1 32923583 UWJAWOBQJCPBKL-CQSZACIVSA-N 308.385 3.619 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2sccc2C)c1C 35335138 MXZXRZGXBNDZLO-UHFFFAOYSA-N 318.442 3.519 0 40 DHAB Cc1ccsc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 36350656 BKOPJBCEBQATJP-AWEZNQCLSA-N 322.861 3.743 0 40 DHAB COc1cc(NC(=O)NCc2cccs2)c2ncccc2c1 38490531 FEROLMBNKBADAY-UHFFFAOYSA-N 313.382 3.627 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1F 38752866 BOPBOCXGAJKICB-INIZCTEOSA-N 303.333 3.630 0 40 DHAB CCc1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42770580 MUPNJFXNANJFDI-CYBMUJFWSA-N 312.251 3.780 0 40 DHAB O=C(NCc1ccoc1)c1ccc(SC(F)(F)F)cc1 45784100 JWNHOCQZGFPYAX-UHFFFAOYSA-N 301.289 3.822 0 40 DHAB CCCC(=O)Nc1cc(Cl)c2nc(NN)sc2c1Cl 45891523 KQJYYRSPORPTTJ-UHFFFAOYSA-N 319.217 3.627 0 40 DHAB C[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)C1 46729025 MGJSJNCDMFQDSS-NSHDSACASA-N 303.793 3.602 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)C1CCC1 48263815 HKMWAMSBDSFANF-SFHVURJKSA-N 305.381 3.569 0 40 DHAB Cc1cccnc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1 58245967 MOHGNCRWLNBMHB-INIZCTEOSA-N 313.376 3.768 0 40 DHAB COc1c(CN[C@H](c2ccc(Cl)cc2)C2CC2)c(C)nn1C 58416397 HTMICFKRQVACNN-INIZCTEOSA-N 319.836 3.631 0 40 DHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1F)c1c(C)noc1C 65608459 SCOWBQMCSHTENA-TVQRCGJNSA-N 322.355 3.941 0 40 DHAB Cc1ccccc1-c1cc2c(N3CCC(C)CC3)nccn2n1 67285402 NUKZKSJTBNFPFC-UHFFFAOYSA-N 306.413 3.941 0 40 DHAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@H](c2cccnc2)S1 71286030 RGFUANPZKMHFJH-AWEZNQCLSA-N 314.414 3.985 0 40 DHAB O=C(NCCc1nccs1)c1cc2c(Cl)cccc2s1 72404418 NWGALCLZJAPZST-UHFFFAOYSA-N 322.842 3.984 0 40 DHAB CN(Cc1nccs1)C(=O)NCc1csc2ccccc12 74853074 WMDCYUSEQKRGNA-UHFFFAOYSA-N 317.439 3.699 0 40 DHAB O=C(c1cc(F)ccc1F)N1CCC[C@H]1c1ccc(O)cc1 78714379 FNNCGPJQBWYKLY-INIZCTEOSA-N 303.308 3.648 0 40 DHAB Clc1ccc(-c2nc3ccc(Br)cn3n2)cc1 84221758 ZBAAGPPMCVKTFM-UHFFFAOYSA-N 308.566 3.812 0 40 DHAB Cc1ccccc1[C@H](NCc1ccc([S@@](C)=O)cc1)C1CC1 84234913 BYFYPWOTIFWCAB-KNQAVFIVSA-N 313.466 3.973 0 40 DHAB O=C(NCC1CCCCCCC1)[C@H]1CCCN1c1nccs1 84618218 ASTDIPLECYVOOS-OAHLLOKOSA-N 321.490 3.589 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 89862366 BCGOHCWHEYVEJJ-UHFFFAOYSA-N 319.384 3.654 0 40 DHAB C[C@](O)(Cc1nc(-c2cc3ccccc3o2)no1)c1ccccc1 96003512 ANPVFIQZGFDOIZ-IBGZPJMESA-N 320.348 3.933 0 40 DHAB Clc1cnccc1CN(Cc1cccnc1)Cc1ccco1 96004561 ISAJYWKPEDJWIS-UHFFFAOYSA-N 313.788 3.925 0 40 DHAB CSc1ccc([C@@H](O)CNC(=O)Nc2cccc(C)c2)cc1 96103294 GYTKGTQOUBVYDB-INIZCTEOSA-N 316.426 3.572 0 40 DHAB CC(C)CN(C(=O)CN[C@@H](C)c1ccccc1Cl)C1CC1 97473745 JCFZBJRYRQJLTC-ZDUSSCGKSA-N 308.853 3.638 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 100749502 YYZRXYBGIXILTB-OALUTQOASA-N 313.397 3.613 0 40 DHAB O=C1CC(c2ccccc2)=NN1c1cccc(C(F)(F)F)c1 100968828 PIJKXXQWMGHDEU-UHFFFAOYSA-N 304.271 3.846 0 40 DHAB Cc1csc(C2=C(O)CN(c3ccc(Cl)cc3)C2=N)n1 102717238 ZBZIZCZTBSQAPZ-UHFFFAOYSA-N 305.790 3.871 0 40 DHAB CN(C(=O)Nc1ccc(SC(C)(C)C)cc1)[C@H]1CCOC1 106945429 RRWZXDAPAQLUJW-ZDUSSCGKSA-N 308.447 3.830 0 40 DHAB Cc1ccccc1[C@H]1CCN(C(=O)Cn2cccc2)CCS1 219288735 DODKTEQNNXMNRE-QGZVFWFLSA-N 314.454 3.503 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cn1 225905442 OGZQURRSRWPRKQ-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB Cc1csc(C(=O)N2CCC(Cc3ccncc3)CC2)c1 257238975 HNIHRFGPVADFQF-UHFFFAOYSA-N 300.427 3.546 0 40 DHAB c1coc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)c1 585095040 AUZUDCFPFMRGPG-QGZVFWFLSA-N 314.429 3.530 0 40 DHAB CC(C)(C)c1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794913 VDZBXJMNFFULKF-UHFFFAOYSA-N 307.191 3.949 0 40 DHAB Cc1csc2nc(CSc3nc4ccccc4[nH]3)cn12 193631 CKLRYYJYOBGGSF-UHFFFAOYSA-N 300.412 3.873 0 40 DHAB O=C1N(c2ccccc2)[C@@H](c2ccccc2Cl)N2CCCN12 552785 DORYVZVGJKNMQU-INIZCTEOSA-N 313.788 3.902 0 40 DHAB CCOC(=O)c1ccc(NCc2nc3ccccc3nc2C)cc1 1717929 AETZIGGUUJNFMY-UHFFFAOYSA-N 321.380 3.727 0 40 DHAB CC(C)[C@@H]1CC[C@](C)(C(=O)OCc2ccc3c(c2)OCO3)C1 1866892 SORXWZCCEBTRKW-KDOFPFPSSA-N 304.386 3.921 0 40 DHAB CC(C)N(CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccccc1 3220234 YAZITAZHXQNZJY-KRWDZBQOSA-N 322.452 3.875 0 40 DHAB O=C(CCC(=O)c1cccs1)N[C@@H]1CCCc2ccccc21 3304134 RTHNIUQZEXRMMZ-OAHLLOKOSA-N 313.422 3.905 0 40 DHAB C=CNCCc1nc2ccccc2n1CCOc1ccccc1C 5235851 YBUKWDOKFSYUAO-UHFFFAOYSA-N 321.424 3.699 0 40 DHAB CC(C)(C)c1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1 5325766 DLUMWZOKPDUBIX-UHFFFAOYSA-N 320.396 3.521 0 40 DHAB O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc[nH]1 6461000 BQQHLVDDLBDZBV-UHFFFAOYSA-N 320.348 3.529 0 40 DHAB CCCN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 6629505 SFIAJBAZHRIODL-CSNJMMPQSA-N 316.426 3.755 0 40 DHAB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 6960472 IYWKVPIDJRFTLN-HDMKZQKVSA-N 306.365 3.915 0 40 DHAB Cc1cc(N)nc(SCc2ccc(Cl)cc2Cl)n1 7047754 GDVVLQIKOJVFJZ-UHFFFAOYSA-N 300.214 3.966 0 40 DHAB CCCCNCc1cc(Br)c(OCC)c(OC)c1 7261622 DUAZNTLIJMIIFA-UHFFFAOYSA-N 316.239 3.746 0 40 DHAB COc1ccc(NC(C)=O)cc1N[C@H](C)c1ccc(F)cc1 7370393 RPDWSVPOJCINBO-LLVKDONJSA-N 302.349 3.966 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1c1ccccc1 7884385 BTOFZKVNWFODLG-GOSISDBHSA-N 301.349 3.853 0 40 DHAB C[C@H](NC(=O)Cc1ccccc1)c1ccccc1Br 7978889 JZNHWHMYCNQIQO-LBPRGKRZSA-N 318.214 3.869 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 8555964 PGEBDAMHOMKJKL-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB Cc1nc2cc(C(=O)NC(C)(C)C)ccc2n1-c1ccccc1 8720187 DKCIUIRBOPMTBE-UHFFFAOYSA-N 307.397 3.862 0 40 DHAB Cc1ccc(-c2nc3ncccn3c2NC(=O)c2ccco2)cc1 8845489 HYBWNFVNJSJXGS-UHFFFAOYSA-N 318.336 3.550 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccc(Cl)c2)c1C 9337707 JGWVVYKKSDMFPF-SNVBAGLBSA-N 318.804 3.979 0 40 DHAB C[C@H]1Sc2ccc(C(=O)N(C)C3CCCCC3)cc2NC1=O 9366443 QMENJOAIFLVAKG-LLVKDONJSA-N 318.442 3.524 0 40 DHAB O=C(NCCCc1nc2ccccc2s1)c1ccccc1F 9384701 LGSXVMQPGNIHSS-UHFFFAOYSA-N 314.385 3.798 0 40 DHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1 9484414 WVSWPMGNLXUUBG-UHFFFAOYSA-N 317.801 3.947 0 40 DHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C)on1 9690340 UBPIFXRXNPAVKN-OAHLLOKOSA-N 310.353 3.932 0 40 DHAB Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544437 PQLLSPOROWNXQF-HNNXBMFYSA-N 319.408 3.891 0 40 DHAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1F 11008363 KAWPRZJDLQMJEM-GFCCVEGCSA-N 302.349 3.674 0 40 DHAB O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccc(F)c1 11899426 ONCHRDUHZWBURS-UHFFFAOYSA-N 303.764 3.941 0 40 DHAB COc1cc(CN2CCCCC[C@@H]2c2cc(C)on2)ccc1O 12185829 QDUXXJVTMPQMQB-MRXNPFEDSA-N 316.401 3.815 0 40 DHAB CCCn1c(NC(=O)Cc2ccccc2C)nc2ccccc21 12520006 AOSZTCXUTWSAIW-UHFFFAOYSA-N 307.397 3.936 0 40 DHAB Cc1ccc(/C=C2\NC(=S)N(c3ccccc3C)C2=O)cc1 13547569 YLWVRFHZQYSBDD-PTNGSMBKSA-N 308.406 3.566 0 40 DHAB c1ccc2c(c1)oc1c(Nc3ccc4c(c3)OCO4)ncnc12 17251755 QBQDUEWXIOEVKT-UHFFFAOYSA-N 305.293 3.848 0 40 DHAB aggregator Cc1cc(C)cc(OCCN(C)C(=O)Nc2ccc(F)cc2)c1 17743248 XWVXPLNHLNMAPD-UHFFFAOYSA-N 316.376 3.985 0 40 DHAB CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(OC)cc1 18131876 QKLOYVURSKZQOG-MRXNPFEDSA-N 317.360 3.724 0 40 DHAB Cc1[nH]c2ccccc2c1[C@H](c1cccs1)N1CCOCC1 19864070 MEHVBJAOPKFSFL-SFHVURJKSA-N 312.438 3.959 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22540286 QZOMQSUUSRKKOY-MRXNPFEDSA-N 317.454 3.960 0 40 DHAB CN(C)CCN1C[C@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@@H]2C1 22585502 FXNFBJIRFUKCIC-YRPNKDGESA-N 302.506 3.787 0 40 DHAB O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc(Cl)cc2)s1 22609000 CBQNKADAVZBHII-CYBMUJFWSA-N 321.829 3.977 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCC1(c2cccs2)CC1 22679962 WFUOFUYVNUTCHR-UHFFFAOYSA-N 305.830 3.792 0 40 DHAB O=C(COc1ccc(F)cc1F)Nc1cccc2c1CCCC2 24550992 SDFZJMQLTICKLQ-UHFFFAOYSA-N 317.335 3.861 0 40 DHAB Cc1cc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2[nH]1 31721883 PXDMEQTXQCDNID-UHFFFAOYSA-N 322.336 3.555 0 40 DHAB Cc1cnc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cn1 31806236 VHWBFTPFRUUUQW-OAHLLOKOSA-N 301.415 3.508 0 40 DHAB COc1ccc(CNCc2ccco2)cc1OC1CCCC1 32186692 IDFCFFWHPGDOOH-UHFFFAOYSA-N 301.386 3.899 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2cccc3cccnc23)cc1F 32745030 XTYNKOLRPINFHA-LBPRGKRZSA-N 324.355 3.874 0 40 DHAB CC1CCC(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 32802912 OVKCIQQVEHKXPG-KPFVRQRISA-N 306.372 3.985 0 40 DHAB CN(Cc1noc(C(C)(C)C)n1)Cc1c(F)cccc1Cl 32927377 NJURVAMGMHGDBK-UHFFFAOYSA-N 311.788 3.792 0 40 DHAB Cc1cc(C)c(NC(=O)[C@H]2CC(c3ccccc3)=NO2)c(C)c1 33145448 DJWDJWFBWDFBDQ-QGZVFWFLSA-N 308.381 3.744 0 40 DHAB O=C(O)c1sc(Br)c(Br)c1Cl 39366509 XOUIIPXNMPQGGQ-UHFFFAOYSA-N 320.389 3.625 0 40 DHAB Cc1nc2ccc(C(=O)Nc3ccc(Cl)cn3)cc2nc1C 40012894 YDZDEMIDSFDLBY-UHFFFAOYSA-N 312.760 3.547 0 40 DHAB CCc1nc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)sc1C 40118946 LEJZXNZZVKQCRL-LLVKDONJSA-N 304.415 3.728 0 40 DHAB Cn1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cn1 47530081 VDSRJFVSDDSYIS-UHFFFAOYSA-N 301.733 3.586 0 40 DHAB CCc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)[nH]n2)cc1 51315581 HVSFIVSAILDALC-UHFFFAOYSA-N 321.380 3.900 0 40 DHAB COc1cc(OC)c(N[C@H](C)c2nc(C3CC3)no2)cc1Cl 55151657 FDFGCPUEFUXEAY-MRVPVSSYSA-N 323.780 3.791 0 40 DHAB C[C@@H]1SC2(CCCCC2)N(c2ccc(C(=O)O)cc2)C1=O 55175035 NLRNGSHORMZDFD-NSHDSACASA-N 305.399 3.514 0 40 DHAB Cc1cccc(N(C)C(=O)c2cnc3c(cnn3C(C)C)c2)c1C 55897043 MPWQMGGYOWWOPH-UHFFFAOYSA-N 322.412 3.906 0 40 DHAB Cc1ccccc1[C@H]1CCCN1C(=O)NOCc1ccccc1 60609137 SAIBSUTYBVNYRE-GOSISDBHSA-N 310.397 3.973 0 40 DHAB c1ccc(CN2CCC[C@]3(CC2)CNCc2ccccc2O3)cc1 72394524 HGUVJQWYQSMLET-NRFANRHFSA-N 322.452 3.594 0 40 DHAB Cc1ccc(SC[C@@H]2CSc3c4ncnc-4ncn32)cc1 72414672 VDGUIMHGKNIOQI-LLVKDONJSA-N 314.439 3.525 0 40 DHAB C[C@H](NC(=O)NCc1nccs1)c1ccc2c(c1)CCCC2 79891166 PXCJQFJUJDDDAO-LBPRGKRZSA-N 315.442 3.582 0 40 DHAB COc1cccc([C@@H](C)CC(=O)N(Cc2ccncc2)C2CC2)c1 84585218 UVSLLEWZTUONGI-HNNXBMFYSA-N 324.424 3.775 0 40 DHAB CC(=O)O[C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 85722621 QWMWZEMANMVJOO-XOBRGWDASA-N 323.392 3.725 0 40 DHAB Cc1ocnc1CNC(=O)Nc1ccc(OC2CCCC2)cc1 92732961 PJCWUJGLTZNQPF-UHFFFAOYSA-N 315.373 3.626 0 40 DHAB COc1ccccc1C1(CN[C@H](C)c2cnccn2)CCCC1 95420731 OWQTWIZOADOGHD-OAHLLOKOSA-N 311.429 3.648 0 40 DHAB C[C@@H](NCCCc1cccc(F)c1)c1ccc([S@](C)=O)cc1 96477397 GVABNABXBHEWNY-JLCFBVMHSA-N 319.445 3.847 0 40 DHAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccccc3)C2=C(O)C1 102740921 QKRDDCPLNCZFCN-AWEZNQCLSA-N 310.357 3.941 0 40 DHAB O=C(O)c1cc(Cl)c(OCc2cccc(Cl)c2)cc1O 216933073 MWGHRWGFZGVYPI-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB COc1ccccc1C[C@H](Oc1cc(C)cc(C)c1C)C(=O)O 225097460 OVIUNRHWLVZJNW-SFHVURJKSA-N 314.381 3.695 0 40 DHAB COc1cccnc1NC(=S)N[C@H](C)c1cc(C)ccc1C 225539093 PDSNWTVXDPQTFB-CYBMUJFWSA-N 315.442 3.755 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)c(C)c1 225594987 VECUGSPPPUEJOQ-CQSZACIVSA-N 321.417 3.790 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(C)c(C)c1 225720603 UKICWSOYPQBRQV-GOSISDBHSA-N 302.462 3.688 0 40 DHAB Cc1cccc(NC(=O)c2cc3cccc(C)c3oc2=O)c1C 226034405 WEQNKBSFQNDJRY-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB CC(C)Cn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21 409130708 XNUMGZIOADLCPI-AUWJEWJLSA-N 300.383 3.621 0 40 DHAB COC(=O)c1cc(NC(=O)c2ccoc2C2CC2)ccc1Cl 585079809 YXWUAFGGXVCRCE-UHFFFAOYSA-N 319.744 3.849 0 40 DHAB CO[C@@H](C)CNc1ccc(NC(=O)N2CCCCCC2)cc1 585117408 BKIHDHXCVVFJDY-AWEZNQCLSA-N 305.422 3.541 0 40 DHAB O=C(NCc1ccc(F)cc1)N1CC2(CC(c3ccccc3)C2)C1 1775970235 IQMFHKOGVLENJU-UHFFFAOYSA-N 324.399 3.915 0 40 DHAB Cc1cnc(Nc2nccc([C@@H]3CCCN(C(C)C)C3)n2)s1 2037834845 XQHTYTVZQLHRIP-CYBMUJFWSA-N 317.462 3.573 0 40 DHAB COc1cccc(OC)c1C(=O)N(Cc1ccccc1)C(C)C 29304 AIRHXFKGZRGAFH-UHFFFAOYSA-N 313.397 3.755 0 40 DHAB Cc1ccc(OC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 143494 YLSDKNGCOXXPTC-UHFFFAOYSA-N 311.381 3.936 0 40 DHAB Cc1cc(C)nc(SCC(=O)Nc2cc(Cl)ccc2C)n1 411249 GPYQJLFNQVOEIA-UHFFFAOYSA-N 321.833 3.786 0 40 DHAB CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1OCC 422227 OIJQVHJDZUDXCL-UHFFFAOYSA-N 300.314 3.794 0 40 DHAB Cc1ccc(CSc2nnc(-c3cccc(C)c3)n2N)cc1 531179 GJQULUWKOSGPPD-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)NC1CCCCCC1 574342 DGNNIMATOXMFHA-OUKQBFOZSA-N 303.402 3.556 0 40 DHAB COc1ccc(CCNC(=O)/C=C/c2ccccc2Cl)cc1 579471 JHRYWTGMJFJOOD-DHZHZOJOSA-N 315.800 3.721 0 40 DHAB CCCCNc1ccc(C(=O)OC2CCN(C)CC2)c(Cl)c1 1574098 WROMRZIXHGGSBM-UHFFFAOYSA-N 324.852 3.803 0 40 DHAB O=C(O)[C@@H]1O[C@]1(c1cccc(Cl)c1)c1ccccc1Cl 1700875 ZLEYYNBRZZXPFX-DZGCQCFKSA-N 309.148 3.720 0 40 DHAB COc1ccc(NC(=O)CCCOc2ccccc2)cc1OC 2653918 YVQQGSARWZRSNN-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)O)cc1 3187278 VVJZSJKEAFBVIP-XNTDXEJSSA-N 315.756 3.504 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1cc2c(s1)CCC2 3230680 IPYZSNKPLYIUJE-UHFFFAOYSA-N 310.422 3.691 0 40 DHAB S=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 3438139 DQVFKUYHZPGANF-UHFFFAOYSA-N 305.786 3.534 0 40 DHAB Cc1ccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)cc1 4540227 LDBTVSDTEYOFNV-VOTSOKGWSA-N 319.393 3.727 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Br)o1 5442917 QAJLKQCNLJNMNC-GFCCVEGCSA-N 320.186 3.850 0 40 DHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C)c1 5953967 PGNMIEYFWDJISZ-GFCCVEGCSA-N 301.839 3.602 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 6342669 YGIAOXZYVVEEKL-UHFFFAOYSA-N 318.170 3.904 0 40 DHAB Cc1cccc(N2C(=O)c3cccc4c(O)ccc(c34)C2=O)c1 6451001 MHJLJGDLJYFYMZ-UHFFFAOYSA-N 303.317 3.654 0 40 DHAB Fc1ccc2c(c1)C(c1cccnc1)=NNC(c1cccs1)=N2 6534090 TVJNBZGZFUHMQN-UHFFFAOYSA-N 322.368 3.716 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 8041282 LDEATQHKFAHJHI-BBRMVZONSA-N 301.361 3.861 0 40 DHAB CCOc1ccc2nc(C)c(CN3CCCCC3)c(O)c2c1 8578795 TXKQEAIRLLOGIP-UHFFFAOYSA-N 300.402 3.633 0 40 DHAB C[C@H](Sc1nc2ccsc2c(=O)n1C)c1ccc(F)cc1 9364125 WCUDIHKEYHUHSH-VIFPVBQESA-N 320.414 3.987 0 40 DHAB Cc1c(C(=O)NCc2ccccc2)oc2c1[C@@H](O)CC(C)(C)C2 9576322 NVUXIDXLYKQKLR-AWEZNQCLSA-N 313.397 3.524 0 40 DHAB CCOc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12517293 HWZAIBLNKCKJRH-UHFFFAOYSA-N 322.408 3.860 0 40 DHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(C)cs2)cc1 12810554 UAIZAYFKHDOFBV-SNVBAGLBSA-N 320.439 3.773 0 40 DHAB O=C(Cc1csc(-c2ccco2)n1)NCCC1=CCCCC1 25095709 RJDYBXGSQOSLCE-UHFFFAOYSA-N 316.426 3.952 0 40 DHAB CC1CCN([C@H](CNC(=O)C2CCCC2)c2cccs2)CC1 27573600 SKXAWUPZHRAEFD-MRXNPFEDSA-N 320.502 3.828 0 40 DHAB CCc1cccc(N[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 28876119 KEMJNFHSDZVXHU-LLVKDONJSA-N 304.340 3.966 0 40 DHAB CC(C)CCCNC(=O)NCc1ccccc1OC(F)(F)F 32801763 QZCPHHGLKRTOSK-UHFFFAOYSA-N 318.339 3.821 0 40 DHAB Cc1ccccc1C(=O)NCc1cccnc1OC1CCCC1 32915192 BVRSOKQFKVQTFG-UHFFFAOYSA-N 310.397 3.641 0 40 DHAB CCc1cccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1 32930921 KKJGTLQQFDUDAZ-UHFFFAOYSA-N 305.381 3.616 0 40 DHAB CCN(C(C)=O)c1nc(CSc2ccc(O)cc2)cs1 38078851 QTLZIARDNWOKRG-UHFFFAOYSA-N 308.428 3.514 0 40 DHAB C[C@H]1C/C(=C/c2ncc[nH]2)c2nc3ccccc3c(C(=O)O)c2C1 48326921 FGBNZXYHHOOLPM-NIANNCQZSA-N 319.364 3.779 0 40 DHAB C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 58424891 GKYCOGIAJRIERK-CYBMUJFWSA-N 315.442 3.797 0 40 DHAB CCN1C(=O)C2(CCCCC2)N[C@H]1c1cnc(C(C)(C)C)s1 66739319 XARYYUCNUHBCJD-CYBMUJFWSA-N 321.490 3.594 0 40 DHAB O=C(/C=C/c1ccco1)N1CCC(OCc2ccccc2)CC1 69367841 OGNZHRXITTVJTE-CMDGGOBGSA-N 311.381 3.501 0 40 DHAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H]1C1CCCCC1 71823309 RSBBAXXCBTUQQU-GOSISDBHSA-N 324.424 3.713 0 40 DHAB CCOc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72211867 QSSHSWTUFKMDBW-AWEZNQCLSA-N 306.406 3.942 0 40 DHAB CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359281 MBBDDGBSUPFRHX-CYBMUJFWSA-N 321.346 3.972 0 40 DHAB O=C(Nc1ncc(-c2ccccc2)s1)[C@@H]1CSCCS1 75572387 JYAQQVVVPRQCFX-LBPRGKRZSA-N 322.480 3.597 0 40 DHAB CC[C@H]1COCCN1C(=O)c1oc2ccc(Cl)cc2c1C 75613136 UYZFDJKHEDRPMU-LBPRGKRZSA-N 307.777 3.646 0 40 DHAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 76042928 OCBPIBZCZVTNNP-OLZOCXBDSA-N 322.474 3.673 0 40 DHAB Cc1nc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c[nH]1 78926502 YWYCPBSZWJFVRD-UHFFFAOYSA-N 323.318 3.542 0 40 DHAB CCc1nc2c(s1)[C@H](N(C)Cc1noc(C(C)C)n1)CCC2 89295784 JFBRBAYHUIHLTJ-GFCCVEGCSA-N 320.462 3.721 0 40 DHAB CC(C)(C)OC(=O)NC1CCN(CC2CCCCCC2)CC1 95982617 BWHMKZXAXINQAA-UHFFFAOYSA-N 310.482 3.946 0 40 DHAB Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(Cl)nc2)o1 96431954 JWEMBDCFFOTODU-LBPRGKRZSA-N 322.817 3.567 0 40 DHAB Clc1cncc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 96453451 ONGFDLQRCHMZGV-LLVKDONJSA-N 314.776 3.655 0 40 DHAB O=C(c1ccc2cc[nH]c2c1)N(C[C@@H](O)c1ccccc1)C1CC1 96483115 WFYJEGFJLKOAQA-LJQANCHMSA-N 320.392 3.506 0 40 DHAB C[C@@H](SCC(=O)Nc1ccccn1)c1nc2ccccc2o1 96496029 ATKOYNQYEGWHFT-LLVKDONJSA-N 313.382 3.656 0 40 DHAB CC(C)[C@@H](C)S(=O)(=O)[C@H](C)c1ncc(-c2ccccc2)o1 97014838 DALJSHVCECEJGJ-CHWSQXEVSA-N 307.415 3.862 0 40 DHAB c1ccc(CCNCc2c[nH]nc2-c2cc3ccccc3o2)nc1 97159776 IPAGRQDDPXSKSB-UHFFFAOYSA-N 318.380 3.550 0 40 DHAB C/C(=C\C(=O)OCCn1nc(C)cc1C)c1cccc(Cl)c1 98052892 LPLJFKKGFXMFSG-FMIVXFBMSA-N 318.804 3.800 0 40 DHAB C[C@@H]1CC2=Nc3ncnn3[C@H](c3ccccc3Cl)C2=C(O)C1 102602592 WIVMVBJXLBSOKH-RFAUZJTJSA-N 314.776 3.849 0 40 DHAB CC(C)(C)OC(=O)N1CCC(Nc2ccc(F)c(F)c2)CC1 116891466 DEPOYDLZVZAUAM-UHFFFAOYSA-N 312.360 3.776 0 40 DHAB NCc1ccc(C(=O)N(CCc2ccccc2)c2ccccc2)o1 153425213 WTVPCDCJMATNBX-UHFFFAOYSA-N 320.392 3.628 0 40 DHAB O=C(NCCCc1ccccc1F)c1cc(-c2ccccc2)on1 223267567 WXTXXRPSZXBUGL-UHFFFAOYSA-N 324.355 3.843 0 40 DHAB COc1ccc(C[C@H](Oc2cccc(C)c2)C(=O)O)cc1Cl 225122455 OPDHMILQTNAYSZ-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CCCNC(=O)c1cc(N)ccc1NC1CCCCCCC1 225496379 PPILQIRYQPQXMR-UHFFFAOYSA-N 303.450 3.933 0 40 DHAB CCCOc1ncc(NC(=O)C2(OC)CCCCCC2)cc1C 225888643 WHJWBANEMPFYGT-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB Cc1cc2cc[nH]c2cc1NC(=O)c1cc2ccccc2c(O)n1 390835748 WYVADEKTUJFPGM-UHFFFAOYSA-N 317.348 3.982 0 40 DHAB CCOC(=O)c1ccc(COC(=O)c2ccccc2Cl)cc1 409207474 UQNDDIRRHQWBGT-UHFFFAOYSA-N 318.756 3.874 0 40 DHAB CC1(C)C[C@H](N[C@H]2C[C@H](N)c3ccccc32)c2cc(N)ccc2O1 572234683 YLTXSPLOMRYZES-BZSNNMDCSA-N 323.440 3.605 0 40 DHAB O=C(CSC1CCCC1)NCc1cncc(-c2ccco2)c1 575608822 PHJJMGZQEPFQPF-UHFFFAOYSA-N 316.426 3.634 0 40 DHAB CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(C)cc3)s2)C1 585138000 HAPQRADWDDFOFV-MRXNPFEDSA-N 314.454 3.768 0 40 DHAB CCOC(=O)c1nc(Nc2ccc(C)cc2)c2ccccc2n1 145885 WWCPQQAFYHXCSU-UHFFFAOYSA-N 307.353 3.859 0 40 DHAB Cc1[nH]c2ccccc2c1[C@H](O)CN1CCc2ccccc2C1 490717 ANYPRKAJTIFCTK-LJQANCHMSA-N 306.409 3.568 0 40 DHAB biogenic O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1O 1504863 IOAHGVOWQFADBU-WQLSENKSSA-N 316.154 3.647 0 40 DHAB CCCC(CCC)N[C@H](CC)COC(=O)c1ccc(N)cc1 1709187 MIEWEAHHHRHDAF-MRXNPFEDSA-N 306.450 3.763 0 40 DHAB Cc1cc2oc(=O)cc(CN(CC(C)C)CC(C)C)c2cc1O 2113680 VQYVWSKUKYNANZ-UHFFFAOYSA-N 317.429 3.921 0 40 DHAB biogenic CCCCC[C@@]1(Br)C(=O)Nc2ccccc2C1=O 2275915 AZJAILLONBUZEX-AWEZNQCLSA-N 310.191 3.535 0 40 DHAB COC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 2512631 QYRXYNDDJRXTAT-UHFFFAOYSA-N 323.392 3.924 0 40 DHAB Cc1cc2nnc(SC[C@H]3CCCCO3)n2c2ccccc12 3495885 ALARRBJOTZMJSS-CYBMUJFWSA-N 313.426 3.852 0 40 DHAB C[C@@H](c1ccccc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 3591001 WZQOJDGLRKJWCO-ZETCQYMHSA-N 323.245 3.600 0 40 DHAB Cc1oc2ccc(O)cc2c1C(=O)OCCOc1ccccc1 4136947 RKEZNYNYIJIQDT-UHFFFAOYSA-N 312.321 3.683 0 40 DHAB CCn1/c(=N\C(=O)c2cccc(F)c2)sc2ccccc21 6226332 BPUZXJKGGJHPAY-FBMGVBCBSA-N 300.358 3.603 0 40 DHAB CC(=O)c1ccc(OCCCc2nc(-c3ccccc3)no2)cc1 6579536 CAWAHHYMAJYMCY-UHFFFAOYSA-N 322.364 3.951 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1 7504685 JTAIZRGVXPUUOI-UHFFFAOYSA-N 324.424 3.701 0 40 DHAB Cc1ccccc1N1C[C@@H](C(=O)Oc2cccc(C)c2C)CC1=O 7929308 YEJKTGUJHXIPFO-INIZCTEOSA-N 323.392 3.570 0 40 DHAB CN(Cc1ccsc1)S(=O)(=O)c1ccc2ccccc2c1 8059508 LAHNCNSYGIVCRO-UHFFFAOYSA-N 317.435 3.722 0 40 DHAB COc1c(C)cccc1C(=O)Nc1ccccc1N1CCCC1 9064363 SFJCCZPNIDLJPZ-UHFFFAOYSA-N 310.397 3.856 0 40 DHAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccccc1O)C2 10156802 KTWGFIOLACTWOZ-CQSZACIVSA-N 318.376 3.799 0 40 DHAB COC(=O)c1cc(C2CC2)nc2onc(-c3ccc(OC)cc3)c12 12397121 YUUIXKNOJOTOLX-UHFFFAOYSA-N 324.336 3.562 0 40 DHAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1c(C)nn(C)c1C 12986568 DTZLZBIKLPCMKN-ZHACJKMWSA-N 323.396 3.997 0 40 DHAB Cc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)c1 13495473 IZFBTAGYORCANA-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB COC(=O)Nc1sc(NC(=O)C(C)C)nc1-c1ccccc1 13549184 VEKNRUACCHGMIU-UHFFFAOYSA-N 319.386 3.583 0 40 DHAB Cc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1 13669536 BEDUJOFHGITFBG-UHFFFAOYSA-N 324.207 3.997 0 40 DHAB S=C(NCc1ccc(Cl)c(Cl)c1)NCc1ccco1 13814619 YLEODZHYXNQSEA-UHFFFAOYSA-N 315.225 3.751 0 40 DHAB Cc1ccc2c(c1)nnn2C(=O)Nc1cccc(C(F)(F)F)c1 16348483 SQUXTDDSUWUXRZ-UHFFFAOYSA-N 320.274 3.839 0 40 DHAB Cc1cc(C)c(C)c(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)c1 16994353 OVTQEYBWPTYCTQ-JFIYKMOQSA-N 305.462 3.614 0 40 DHAB COC(=O)/C=C(\C)Nc1ccc(C(=O)C2CCCCC2)cc1 17423920 MNZHGABPIMUTJM-OUKQBFOZSA-N 301.386 3.938 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 19293531 ZRHLOPRSZPZVMR-HNNXBMFYSA-N 323.371 3.722 0 40 DHAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(Cl)cc1 20138227 UCYWCWSHWXUPDV-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CC(C)NCCOc1ccc2cc(Br)ccc2c1 20525266 SEXHWQVSLNPACB-UHFFFAOYSA-N 308.219 3.979 0 40 DHAB in-vitro Cc1cc(C(F)F)c2c(C)nn(-c3ccc(C(=O)O)cc3)c2n1 20603677 SWCJGFMCEWILFX-UHFFFAOYSA-N 317.295 3.673 0 40 DHAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1 22530968 UOQMGLILVITYNC-PPYMECGQSA-N 323.392 3.923 0 40 DHAB Cc1ccc(CN(C)C(=O)c2cccc(NC(=O)C3CC3)c2)cc1 23602294 GIUVPDBNJOIJHW-UHFFFAOYSA-N 322.408 3.616 0 40 DHAB O=C(Nc1cccc2ncccc12)c1cc(-c2ccco2)on1 25462782 MHUYKMZOJZRVFP-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB Cc1cc(F)ccc1NCC(=O)N[C@H](C)c1ccc(F)cc1 25608316 RQRJFZNCQKCUIZ-GFCCVEGCSA-N 304.340 3.563 0 40 DHAB Cc1cccc(-n2ncc(C(=O)N[C@@H](C)c3ccccc3)c2C)c1 29462752 CDWXKHYQVOSJFO-HNNXBMFYSA-N 319.408 3.980 0 40 DHAB CC(=O)Nc1ccc(OCc2cc(F)cc3cccnc23)cc1 31607549 UAUINKRFMNOFHN-UHFFFAOYSA-N 310.328 3.911 0 40 DHAB Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)c1ccoc1C 32648125 MERPZYUBAZKOSF-UHFFFAOYSA-N 318.323 3.628 0 40 DHAB CCCN(CCC)CN1C(=O)S/C(=C\c2ccccc2)C1=O 33717507 YYCYPMGMQZVCSL-QINSGFPZSA-N 318.442 3.802 0 40 DHAB Cc1c(C(=O)OCc2ccc(Cl)s2)[nH]c2c1C(=O)CCC2 43940342 WHLQQFDFWRMCLA-UHFFFAOYSA-N 323.801 3.914 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccccn2)c(C)s1 46893702 WNKICOWGEYUNEZ-VXGBXAGGSA-N 303.431 3.881 0 40 DHAB CN(Cc1cccc(O)c1)C(=O)c1cc(Cl)ccc1Cl 48736014 FDHDCBXBLJUTAE-UHFFFAOYSA-N 310.180 3.971 0 40 DHAB COc1c(C)cnc(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1C 50448716 LRJBFQZFERFCJE-GOEBONIOSA-N 316.445 3.562 0 40 DHAB CC[C@@H](C)N(C)C(=O)Nc1ccc(N2CCSCC2)cc1C 51648891 WEBHUQSMZRLGDH-CQSZACIVSA-N 321.490 3.810 0 40 DHAB CN1C[C@@H](C(=O)c2cccs2)[C@H](c2ccc(Cl)cc2)C1 52525322 DQDLEPZVHJFUCX-UONOGXRCSA-N 305.830 3.930 0 40 DHAB Cc1ccc(CSc2nc3ccsc3c(=O)n2C)cc1C 67259716 UZICYDWYXRGADC-UHFFFAOYSA-N 316.451 3.904 0 40 DHAB FC(F)(F)c1ccnc(NCc2nccc3ccccc23)n1 69455390 JVZJYKIDWVNKSE-UHFFFAOYSA-N 304.275 3.656 0 40 DHAB c1csc(-c2nc(CN3CCO[C@H]4CCCC[C@@H]43)co2)c1 71810981 FSQVYMGPENJHLL-KBPBESRZSA-N 304.415 3.547 0 40 DHAB CC(=O)c1ccc(NC(=O)Nc2ccc3oc(C)nc3c2)cc1 73799152 LCPPIYMELCLHHP-UHFFFAOYSA-N 309.325 3.983 0 40 DHAB CC(C)[C@H](O)c1scc(Br)c1Br 85390780 KAMICUHRGPCNJT-ZETCQYMHSA-N 314.042 3.963 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)cc2Cl)c1C 89502421 BRFJEFGDRFCKSO-UHFFFAOYSA-N 323.751 3.888 0 40 DHAB CCN(C(=O)c1ccc[nH]1)[C@@H](c1ccc(F)cc1)c1cccnc1 95396480 XUBGLLWDZKAZJY-SFHVURJKSA-N 323.371 3.801 0 40 DHAB Cc1coc(/C=C/C(=O)Nc2ccc(F)cc2OCC2CC2)n1 96012425 BUFUHIFVHZLACG-VOTSOKGWSA-N 316.332 3.563 0 40 DHAB COCc1ccc([C@H]2CCCN2C(=O)NCCC2=CCCC2)o1 97161840 PGVWQOYFMBHQRK-MRXNPFEDSA-N 318.417 3.773 0 40 DHAB Cc1ccc([C@H]2C[C@H]2C(=O)NCCCCc2nccs2)s1 97212298 DRWQZOUSCWBZFY-QWHCGFSZSA-N 320.483 3.756 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)c2)n1 109025157 PWKLGUKJVFLUAD-ZQIUZPCESA-N 307.397 3.827 0 40 DHAB Cc1cccc(OCC(=O)NCc2ccc3ccccc3c2)c1 222814804 RFGWWISJRMGNQU-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)o1 222947995 NOUFGVLWYDECGM-CVEARBPZSA-N 315.442 3.756 0 40 DHAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccccc2)c1 224089769 XVZZGXLIISQIEN-UHFFFAOYSA-N 313.397 3.756 0 40 DHAB Cc1cccc(C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224646509 PMEZGIMGIDGSAJ-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB C[C@@H](CCN1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 225584687 ZTLYKZYTKZAMLB-ROUUACIJSA-N 317.473 3.698 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)c(Cl)c1 226322464 RBBDKJOBXQWAMF-SOFGYWHQSA-N 315.756 3.999 0 40 DHAB Cc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)s1 257314508 UXHGEIOTBSPNSW-UHFFFAOYSA-N 300.427 3.546 0 40 DHAB CN(Cc1ccccc1NC(=O)N1CCCC1)c1ccccc1 278850154 XYGWQUJICVCXCP-UHFFFAOYSA-N 309.413 3.951 0 40 DHAB CCc1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)on1 409412818 MHSGUBMFDOXCLV-CIRFHOKZSA-N 310.397 3.549 0 40 DHAB Cc1cnc(-c2noc(C[C@@H]3C[C@@H](C)c4c(C)cccc43)n2)nc1 564266891 PSNIERHYRHNPCB-KGLIPLIRSA-N 320.396 3.977 0 40 DHAB C[C@H](NC[C@@H]1CCSC1)c1nc2ccccc2n1C(F)F 585079623 NNBAZWWVTZYVBS-QWRGUYRKSA-N 311.401 3.835 0 40 DHAB CCC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 101398 RFTIYLHGIWQCPQ-UHFFFAOYSA-N 324.332 3.784 0 40 DHAB biogenic Cc1ccc(C)c(CC(=O)NCCc2c[nH]c3ccccc23)c1 525507 WAZWGKHORFFNML-UHFFFAOYSA-N 306.409 3.686 0 40 DHAB biogenic COc1ccc(C(=O)Oc2ccccc2Br)cc1 1596287 ORFYGTUGIKBPIC-UHFFFAOYSA-N 307.143 3.677 0 40 DHAB O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1 1653062 YHQZCZRZUDDZTA-UHFFFAOYSA-N 319.297 3.585 0 40 DHAB COc1ccc2c(c1C)CN1CCc3cc4c(cc3C1=C2)OCO4 1713144 NXBACXXHAYLEBS-UHFFFAOYSA-N 321.376 3.602 0 40 DHAB Cc1nc2nc(NCc3cccc(Cl)c3)nn2c(C)c1Cl 2323918 JQWYZTGNBQQPEQ-UHFFFAOYSA-N 322.199 3.660 0 40 DHAB Cc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)no1 3314595 BOCAPSFGORMOBK-UHFFFAOYSA-N 313.382 3.570 0 40 DHAB COc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1OC 4117608 IZIPTBVOQVGYLK-DHZHZOJOSA-N 306.385 3.852 0 40 DHAB CCC1(N[C@H](Cc2ccccc2)c2ccccc2)COCOC1 5964886 IGYJSMIDQHNODT-LJQANCHMSA-N 311.425 3.713 0 40 DHAB CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 6039247 QGTZCWVTYBCQCX-JTQLQIEISA-N 322.474 3.737 0 40 DHAB CCc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 7134037 CWRBNWNMLVIGMY-UHFFFAOYSA-N 301.411 3.988 0 40 DHAB O=C(NC1CC1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 7191793 DADWCLDVOGQKCU-MRXNPFEDSA-N 319.763 3.878 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 7402465 XXPWQHVENWXRCQ-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB C[C@@H](c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1F 9494261 IGBWFPDGSDUBRD-JTQLQIEISA-N 310.369 3.658 0 40 DHAB Cc1ccccc1-n1ncc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 9627361 BBLZLLHUPZLXAO-ZIAGYGMSSA-N 321.428 3.606 0 40 DHAB CC(C)[C@@H](CC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 12296847 JBSNRAYWNCVKRH-IAGOWNOFSA-N 303.446 3.890 0 40 DHAB biogenic Cc1ccc(O[C@H](C)C(=O)Nc2ccc3oc(C)nc3c2)cc1 12741352 FPPPGWSOJPBFPC-GFCCVEGCSA-N 310.353 3.851 0 40 DHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(C)cs2)cc1 12810559 UAIZAYFKHDOFBV-JTQLQIEISA-N 320.439 3.773 0 40 DHAB c1ccc(CCn2c(-c3ccccn3)nc3ccccc32)nc1 13211803 WRQKLXNSINMDJO-UHFFFAOYSA-N 300.365 3.736 0 40 DHAB CCc1ncc([C@](C)(O)c2ccccc2)n1Cc1ccccc1 13281767 MGJWEHDRICUGFI-HXUWFJFHSA-N 306.409 3.750 0 40 DHAB COc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)no2)cc1 15669815 BLWUGINIUYQPGF-UHFFFAOYSA-N 313.284 3.709 0 40 DHAB CCOC(=O)c1c(Cl)c2cc(Br)ccc2n1C 19770080 RFRSREDUCRYCHK-UHFFFAOYSA-N 316.582 3.771 0 40 DHAB Cc1c(NC(=O)c2ccc(OC(C)C)cc2)cccc1C(=O)O 20141833 REJDTWYTSRPGHA-UHFFFAOYSA-N 313.353 3.733 0 40 DHAB CCc1ccc(N=c2cc(C(=O)O)[nH]c3ccc(C)cc23)cc1 21657773 YOHVSFLXFTYZEL-UHFFFAOYSA-N 306.365 3.969 0 40 DHAB Cc1cccc(-c2n[nH]c(SCC(=O)c3ccccc3)n2)c1 33681207 KCXYGUVTVCCFSG-UHFFFAOYSA-N 309.394 3.755 0 40 DHAB C[C@@H](CN1CCCC1=O)NCc1sc2ccccc2c1Cl 37997675 DVYBBRXKJVFAEZ-NSHDSACASA-N 322.861 3.655 0 40 DHAB C[C@@H](NC(=O)COCc1ccccc1Cl)c1ccccc1F 40141146 ZBMSKRBDYVANFR-GFCCVEGCSA-N 321.779 3.873 0 40 DHAB O=C(COc1ccc(F)cc1Br)c1ccccc1 40159231 CQELWBZTKIDLGX-UHFFFAOYSA-N 309.134 3.850 0 40 DHAB COc1cc(CN[C@H](C)c2ccc(C)cc2)cc(OC)c1OC 45098310 WSPYZEAACKMKIH-CQSZACIVSA-N 315.413 3.872 0 40 DHAB Cc1ccccc1[C@H]1CCCN1Cc1nc2ccccc2c(=O)[nH]1 48367497 HPTABZKQUXIJRO-GOSISDBHSA-N 319.408 3.569 0 40 DHAB CCc1sc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1C 48374587 FWPIWXDVNWEIHY-UHFFFAOYSA-N 313.378 3.978 0 40 DHAB C[C@@H](Cc1ccsc1)NC(=O)N1CCC[C@@H]1c1ccncc1 50156609 WJNGWXBVJIEHIR-XJKSGUPXSA-N 315.442 3.621 0 40 DHAB CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1cc(C)cc(C)c1 59577003 DMFJUYVSGMMBOK-UHFFFAOYSA-N 321.424 3.646 0 40 DHAB Cc1cc(C(=O)Nc2nnc(C3CCC3)s2)c2ccccc2n1 61719980 WARNKUXXOYRPJL-UHFFFAOYSA-N 324.409 3.915 0 40 DHAB CCn1c(/C(Cl)=C/c2csnn2)nc2cc(F)ccc21 66256050 WZSYLUQAUDTSKY-POHAHGRESA-N 308.769 3.784 0 40 DHAB c1csc([C@@H](NC[C@@H]2CNc3ccnn3C2)C2CCCC2)c1 69453548 QFUSBZWHHUKGIT-GUYCJALGSA-N 316.474 3.507 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1NC1CC1 72213716 VODBRXYUWBANDW-AWEZNQCLSA-N 303.406 3.728 0 40 DHAB CNC(=O)Nc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1 72291615 QQTGPUORHAPVHD-WEVVVXLNSA-N 323.396 3.870 0 40 DHAB COC(=O)CN1C(C)=Nc2ccccc2[C@H]1c1ccc(C)cc1 72314629 MFHZNJGEYIOSRG-LJQANCHMSA-N 308.381 3.623 0 40 DHAB Cc1nc(C(=O)Nc2ccncc2)c(-c2cccc(F)c2)s1 79498408 VXYYHQHPOHSQOF-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1ccc(S(=O)(=O)c2ccccc2Br)cc1 79754137 XGDRKQHNUBWVID-UHFFFAOYSA-N 311.200 3.590 0 40 DHAB Cc1c(NC(=O)N(CC(F)F)C2CC2)cccc1OC(F)F 84041465 BPDPCHCSDWGLAO-UHFFFAOYSA-N 320.286 3.858 0 40 DHAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccccc1-c1ncc[nH]1 84980620 RIAHBVCEPWBTIH-GFCCVEGCSA-N 324.409 3.591 0 40 DHAB Cn1cc(Nc2cccc(C(=O)OCc3ccccc3)c2)cn1 89756561 PNQKSUGUOCSTFF-UHFFFAOYSA-N 307.353 3.521 0 40 DHAB CCc1noc([C@@H](C)SCc2ccc(C(=O)OC)c(F)c2)n1 95410972 RVHXIKXXIFDZOG-SECBINFHSA-N 324.377 3.552 0 40 DHAB Cc1nc(C)c(-c2nn3c(-c4cccs4)nnc3s2)s1 95479534 WAMXGRGSUXIZCM-UHFFFAOYSA-N 319.440 3.655 0 40 DHAB C[C@H]1CCCCN1C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 96192878 ILIJXMPPEXVRII-SJCJKPOMSA-N 320.820 3.624 0 40 DHAB Cc1nc(CCCC(=O)N2CCC[C@H]2C2CCCC2)cs1 96455588 DRGKOYLACHXTHE-INIZCTEOSA-N 306.475 3.955 0 40 DHAB Cc1nc(-c2ccccc2)sc1NC(=O)Cc1cccnc1 97086102 PISDBRKAZSURGL-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB Cc1nnc(CN[C@H](Cc2ccccc2)c2sccc2C)o1 184956308 MXUOSJORVCVXRU-OAHLLOKOSA-N 313.426 3.822 0 40 DHAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C 222813647 OSJMYMDJACHELM-UONOGXRCSA-N 317.483 3.832 0 40 DHAB CCC(C)(C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 223282180 UBVITCJTRYWCGT-UHFFFAOYSA-N 313.463 3.594 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCc2ccccc21 225070854 UDYKKNMUYMDTGK-HNNXBMFYSA-N 321.420 3.922 0 40 DHAB Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1 225792887 OYUZGXKHLHDWMT-UHFFFAOYSA-N 317.392 3.937 0 40 DHAB Cc1cc(NC(=O)Nc2cccc(Cl)c2)cc(C(=O)O)c1O 226321686 KATJHIYXVFTIDE-UHFFFAOYSA-N 320.732 3.696 0 40 DHAB Cc1nc(-c2ncc(C)s2)cc([C@H]2CCCN(C(C)C)C2)n1 257262491 LLPMZCVFVLWWLW-AWEZNQCLSA-N 316.474 3.805 0 40 DHAB CC(C)C(=O)N[C@@H]1C[C@H](c2ccc(F)cc2F)O[C@@H]2CCC[C@@H]12 257281925 ORNKYSDFYFXORC-RKTXRCNFSA-N 323.383 3.736 0 40 DHAB Cc1ncc2c(n1)CC[C@@H](NCc1ccc(C3CCC3)cc1)C2 549711628 QPJAUNQNFDHDSP-LJQANCHMSA-N 307.441 3.700 0 40 DHAB CCC(CC)n1ncc(C(=O)Nc2cncc(SC)c2)c1C 585088378 ZBEQVJOUTGSFIJ-UHFFFAOYSA-N 318.446 3.922 0 40 DHAB O=C(Cc1c(F)cccc1Cl)N1CCC2(CC1)CC2(F)F 650600006 MXFHMCQOBYTVOB-UHFFFAOYSA-N 317.738 3.669 0 40 DHAB Fc1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1 385277 WJTDRIGQTZNGSE-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB Cc1ccccc1-c1nnc2n1N=C(c1ccc(F)cc1)CS2 531833 RAZGDEUXNXNNGM-UHFFFAOYSA-N 324.384 3.751 0 40 DHAB Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)n1 1403025 GIPBZUQWTCRPFG-UHFFFAOYSA-N 316.209 3.838 0 40 DHAB O=C(O[C@@H]1CCC[C@H]1OC(=O)c1ccccc1)c1ccccc1 1716936 RVLSTMZYTRSDJL-IAGOWNOFSA-N 310.349 3.622 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1 1960543 VURCSNHDLGSCHS-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)O)cc1 2342204 HPGOPLQHCDPWKE-UHFFFAOYSA-N 310.378 3.808 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1 2647424 PFPINKYGPJFGFY-UHFFFAOYSA-N 309.287 3.684 0 40 DHAB Clc1ccc2nc(CSc3nnc(C4CC4)o3)cn2c1 2659414 VBLHSYGMXVQODE-UHFFFAOYSA-N 306.778 3.540 0 40 DHAB CN(C(=O)CSc1ncnc2ccccc12)C1CCCCC1 3262531 QWKJMOUHFMURPH-UHFFFAOYSA-N 315.442 3.513 0 40 DHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1 3353381 OXWACPHCWQPXQX-NSHDSACASA-N 308.834 3.861 0 40 DHAB O=C(COc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21 3402990 IRGFPBIUIDMAOJ-UHFFFAOYSA-N 322.191 3.962 0 40 DHAB CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 3443942 WPZXXUOZGVSWAR-QGZVFWFLSA-N 310.397 3.521 0 40 DHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCC[C@H](C)C1 4011543 FMTHLQDBSCILBQ-QXCZDIPSSA-N 311.510 3.557 0 40 DHAB C[C@]12CC=C3C4=C(CC[C@H]3[C@H]1CCC2=O)CC1(CC4)OCCO1 4026278 XUOQKQRMICQUQC-LMMKCTJWSA-N 314.425 3.936 0 40 DHAB biogenic Cc1ccccc1Cn1cc(SCC(N)=O)c2ccccc21 4060772 ZEZAIQJTCYGQIE-UHFFFAOYSA-N 310.422 3.575 0 40 DHAB Cc1nnc(NC(=O)c2ccc(Cc3ccccc3)cc2)s1 4072254 REJDVOOWDZGXDN-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB O=C1c2ccccc2OCCN1Cc1ccc(C(F)(F)F)cc1 4107901 AZONVJZDIGOQRW-UHFFFAOYSA-N 321.298 3.740 0 40 DHAB CCCC(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479432 RMOUGGJKOVQNRR-UHFFFAOYSA-N 300.145 3.782 0 40 DHAB CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)cc1 4652242 ASPCYJVMDPAVEH-WTTBNOFXSA-N 313.397 3.662 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 5440509 MCLOWTONDLNAKM-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB Cc1ccccc1-c1noc(-c2ccccc2C(=O)NC(C)C)n1 5552078 MERJVECCJOWVRJ-UHFFFAOYSA-N 321.380 3.850 0 40 DHAB COc1ccc(C(=O)Sc2nc3ccccc3[nH]2)cc1OC 6694041 JYIQQSXYIMVEIP-UHFFFAOYSA-N 314.366 3.513 0 40 DHAB COc1ccccc1CNc1nc2cc(C)nn2c2ccccc12 7735850 SXJOTENKJQFHTE-UHFFFAOYSA-N 318.380 3.812 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 8427776 QWOVCZWLNWLVGG-RDJZCZTQSA-N 322.408 3.543 0 40 DHAB Sc1nnc(-c2ccccc2)n1-c1cccc2ncccc12 8992547 MOSNJWGTBLTLHQ-UHFFFAOYSA-N 304.378 3.771 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 9303968 MLNJXWKKQPJWHA-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB O=C(NC1CC1)[C@@H](Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 11160318 LINLKNUQYKVRAS-IBGZPJMESA-N 324.399 3.746 0 40 DHAB CCCNC(=O)c1ccccc1SCc1c(C)noc1C 12730342 WDITZLBVMKFSKA-UHFFFAOYSA-N 304.415 3.724 0 40 DHAB c1ccc(Nc2nnc(Nc3ccccn3)c3ccccc23)nc1 13281529 FOVBHLVKSWOART-UHFFFAOYSA-N 314.352 3.907 0 40 DHAB COc1ccc(NC(=O)c2cccc(CSC)c2)c(OC)c1 16635490 KZKMOKVXYNYOLM-UHFFFAOYSA-N 317.410 3.819 0 40 DHAB Cc1cccc(NC(=S)NCCc2ccc(O)cc2)c1Cl 17055602 NADRCKQRBQMGFE-UHFFFAOYSA-N 320.845 3.883 0 40 DHAB CC(C)OCCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 20050313 VSYDPSQBZRPWIV-HNNXBMFYSA-N 307.434 3.509 0 40 DHAB Cc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1C 22655367 DIDYFFVMUPTQAZ-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCC[C@@H]1C(F)(F)F 27862823 GMKMABCDDIEAFN-DZGCQCFKSA-N 324.346 3.948 0 40 DHAB O=C(c1ccco1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 28231977 GDOZDDAXTKXWKG-HNNXBMFYSA-N 319.788 3.754 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccnc1 29296620 LCDGOQIEAMDALC-LJQANCHMSA-N 319.408 3.859 0 40 DHAB COc1ccc(OC)c(CCC(=O)Nc2cc(C)ccc2F)c1 30939556 QIAMWFYUBDEPGU-UHFFFAOYSA-N 317.360 3.723 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(NC(=O)c2cccnc2)c1 31966706 XSVMEPLUTSNHDJ-CQSZACIVSA-N 321.380 3.629 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 32738305 PVLQSYDZAWGWLS-KBPBESRZSA-N 323.396 3.516 0 40 DHAB Cn1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)n1 39996408 BQLJSPMSVWIJCZ-ZHACJKMWSA-N 319.364 3.864 0 40 DHAB CCOc1ccc(-c2c(C)sc3nc(C)[nH]c(=O)c23)cc1 41104779 IQMDGESEVXDJAH-UHFFFAOYSA-N 300.383 3.667 0 40 DHAB O=C(Nc1cc(F)cc(F)c1)N[C@@H]1CCOc2ccccc21 53961645 AOWOQVKVTGCYLF-CQSZACIVSA-N 304.296 3.610 0 40 DHAB CC(C)(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 56211826 VJYGVCNLULTVMK-UHFFFAOYSA-N 309.837 3.551 0 40 DHAB C[C@@H](NCC(=O)Nc1cccnc1Cl)c1ccccc1Cl 57752006 RFKVEFZGCJUYLS-SNVBAGLBSA-N 324.211 3.678 0 40 DHAB COc1ccc(N(C(=O)c2scnc2C)[C@@H](C)C2CC2)cc1 58266764 YKMZFTOWGQSAMK-LBPRGKRZSA-N 316.426 3.905 0 40 DHAB COc1cc2nccc(Nc3ccc(C(=O)O)cc3)c2cc1OC 62718716 DXRVPSZMDJZGOS-UHFFFAOYSA-N 324.336 3.694 0 40 DHAB O=C(O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 66144519 FBVPGOXFJQCJLW-UHFFFAOYSA-N 311.120 3.911 0 40 DHAB CCN(CC)C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 69453058 YHWAIBTXSMZZOT-UHFFFAOYSA-N 313.445 3.648 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212053 CVPWDMYVWYDBEL-GOSISDBHSA-N 310.397 3.734 0 40 DHAB Cc1ccc(OCCCOc2ccccc2OCCO)cc1C 84180751 PEIMTDZFJQABTK-UHFFFAOYSA-N 316.397 3.522 0 40 DHAB CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)CC1 84544370 SQTPQFKIWLOFIR-SJORKVTESA-N 319.420 3.593 0 40 DHAB Cc1cccc(-c2ccc(CNC(=O)Cc3ccc[nH]3)cc2)c1 89572381 CVIPPPDZZUBCQG-UHFFFAOYSA-N 304.393 3.849 0 40 DHAB CN(C(=O)c1cccc(Nc2cnn(C)c2)c1)c1cccc(F)c1 95445577 VXGRYHKCFCTIMP-UHFFFAOYSA-N 324.359 3.579 0 40 DHAB CN[C@H](C)C1=CCC=C1P(c1ccccc1)c1ccccc1 100031909 YPXPTKZMJVKKLO-MRXNPFEDSA-N 307.377 3.941 0 40 DHAB COc1ccc(-c2cc(O)n(-c3ccccc3C)n2)cc1OC 100072143 LEGLDKSCALEPRS-UHFFFAOYSA-N 310.353 3.571 0 40 DHAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1nc(-c2cccnc2)cs1 102923235 NILOXLYODCSATN-YRGRVCCFSA-N 313.426 3.970 0 40 DHAB Cc1cc(C)c(NC(=O)CN(C)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1 107069489 YHIOUOJTZMJCDY-BZSNNMDCSA-N 314.473 3.918 0 40 DHAB O=[S@@](CC[C@H]1CCCO1)Cc1ncc(-c2ccccc2)s1 195577210 AKWGLMLVLHPBEA-SZNDQCEHSA-N 321.467 3.628 0 40 DHAB COc1cccc(O[C@H](Cc2ccc(Cl)cc2C)C(=O)O)c1 225074878 NNFGFQGJLDPCAZ-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB COC[C@H](N[C@H](C)c1ccc(Br)o1)c1ccco1 225575363 IGXQGKMEMFCRFN-ZJUUUORDSA-N 314.179 3.673 0 40 DHAB Cc1cc(NC(=O)Cc2ccccc2)cc(Br)c1O 226242975 VTBCHHPJQQCYKD-UHFFFAOYSA-N 320.186 3.644 0 40 DHAB Cc1c(NC(=O)CC(C)C)cccc1-c1ccc(C(=O)O)o1 226352213 INTKRGNCLFIUQP-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB COc1cccc(C(=O)Sc2nnc(-c3ccccc3)o2)c1 408534029 UOVBRIXBMFORKM-UHFFFAOYSA-N 312.350 3.678 0 40 DHAB CC(C)c1ccccc1NC(=O)C(=O)NCCC1CCCCC1 408708729 LQLFESXAGRDDQA-UHFFFAOYSA-N 316.445 3.835 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc2conc2c1 409198397 FNXFMJCBDKZYCX-LLVKDONJSA-N 309.394 3.976 0 40 DHAB Cc1ccc2cccc(NC(=O)CCCc3ccccn3)c2n1 591457045 LORLTODJUGKLFC-UHFFFAOYSA-N 305.381 3.900 0 40 DHAB CCCC(=O)Nc1cc(C)c(NC(=O)c2ccccc2F)cn1 1358318 KNYXRMGEFHBMDI-UHFFFAOYSA-N 315.348 3.520 0 40 DHAB O=C1CSC(=O)N1CNc1ccc(Oc2ccccc2)cc1 1515281 DDUURPQWBOOWPF-UHFFFAOYSA-N 314.366 3.544 0 40 DHAB COc1ccccc1CC(=O)Nc1ccc2nc(C)sc2c1 2625590 QPUOYSQVYZOVBR-UHFFFAOYSA-N 312.394 3.795 0 40 DHAB CC[C@@H](C(=O)OCC(=O)Nc1ccccc1C)c1ccccc1 3446623 KPHVUYYYHYHHKS-MRXNPFEDSA-N 311.381 3.671 0 40 DHAB O=C(O)c1cc2cc(Br)cc(Br)c2o1 3884946 PTCVMMBMRYJVFE-UHFFFAOYSA-N 319.936 3.656 0 40 DHAB Cc1cccc(NC(=O)c2ccc(Br)cc2F)n1 4058743 ONALSKOOPJHQSL-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB COc1cccc(CSc2nc3cc(Cl)cnc3[nH]2)c1 5457432 JHBGMRVRYXTZAC-UHFFFAOYSA-N 305.790 3.912 0 40 DHAB CC(C)Oc1ccccc1[C@H](O)c1nnc(-c2ccccc2)o1 7003271 YWANYCBBNYRCQB-INIZCTEOSA-N 310.353 3.606 0 40 DHAB Cc1ccccc1-c1nc2ccc(NC(=O)[C@@H]3CCCO3)cc2o1 8188423 RWXKJLLGPUTIHN-INIZCTEOSA-N 322.364 3.921 0 40 DHAB O=C(c1n[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 8289703 WZCIJXOUFZLCFC-UHFFFAOYSA-N 319.408 3.658 0 40 DHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(F)c(F)c1 8320407 BSSBUHJJZHHELY-AWEZNQCLSA-N 322.380 3.802 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C)on1 9112498 WQMHQQJIUCXKAD-LLVKDONJSA-N 312.728 3.572 0 40 DHAB CCn1c(C)cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1C 9956033 QDURZOQHERJLRD-UHFFFAOYSA-N 321.424 3.805 0 40 DHAB CCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 10651471 RPSXYPQHBJUCOE-UHFFFAOYSA-N 313.788 3.891 0 40 DHAB Cc1ccc(OCCOc2cccc(CCC(=O)O)c2)cc1C 11892158 UANZVQVPMXENOY-UHFFFAOYSA-N 314.381 3.778 0 40 DHAB Cc1ccc([C@H]2C[C@@H](c3ccccc3C)n3nc(N)nc3N2)cc1 12469293 ZVZGXJRCSKRLIN-SJORKVTESA-N 319.412 3.623 0 40 DHAB aggregator CCOc1ccc(SCC(=O)Nc2ncccc2C)cc1 12537949 CQYDYNLJSJLFDP-UHFFFAOYSA-N 302.399 3.520 0 40 DHAB CCOc1ccccc1NC(=S)Nc1ccc2cn[nH]c2c1 13879009 KGYWGJYXHVSGTQ-UHFFFAOYSA-N 312.398 3.771 0 40 DHAB COc1cc(Cl)c(OC)c2sc(Br)nc12 14985090 XBURRMVLTWPDPY-UHFFFAOYSA-N 308.584 3.729 0 40 DHAB CCc1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740503 LDZWNWSVVREZGG-UHFFFAOYSA-N 317.458 3.673 0 40 DHAB Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c(C)s1 24443568 BCANVXAXDXNKPJ-UHFFFAOYSA-N 321.467 3.718 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)c2c(F)cccc2F)cc1 26122420 NWHBGHKKMYXHAV-NSHDSACASA-N 305.324 3.855 0 40 DHAB Cc1cc(C)cc(OCCn2c([C@H](C)O)nc3ccccc32)c1 27792430 FLWWKKHGFWAINF-HNNXBMFYSA-N 310.397 3.785 0 40 DHAB Cc1nc(CCNC(=O)c2oc3ccc(F)cc3c2C)cs1 27991684 KWRFNFDMVABSKD-UHFFFAOYSA-N 318.373 3.618 0 40 DHAB CCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)n[nH]1 28244962 RWBFAUGAOKFVKS-UHFFFAOYSA-N 307.353 3.728 0 40 DHAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccc(F)cc1 28927417 HQIIYRGIWBSEEE-GFCCVEGCSA-N 309.344 3.707 0 40 DHAB O=C(Nc1cc(Nc2ncnc3ccccc23)ccc1F)C1CC1 29526794 PTVWBNYEGBXVQW-UHFFFAOYSA-N 322.343 3.861 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 31544017 XROBWLYSVVDLTA-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1 32609787 VIGVQZVUSBOYSL-CQSZACIVSA-N 313.397 3.973 0 40 DHAB CSc1ccc(CN(C)Cc2nc(-c3ccco3)no2)cc1 32754335 LLXAYUCEXCJPQY-UHFFFAOYSA-N 315.398 3.684 0 40 DHAB Cc1nc2cc(NC(=O)c3cc(-c4ccco4)[nH]n3)ccc2s1 38488938 LIQAGJAQMYIKBX-UHFFFAOYSA-N 324.365 3.840 0 40 DHAB CN(C)[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1 38673441 FLHVTJCDPBKREQ-CQSZACIVSA-N 323.849 3.826 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1ccccc1 38772979 CVXHRVSURKFPOD-LJQANCHMSA-N 311.425 3.901 0 40 DHAB Cc1noc2ncc(C(=O)N3CCC[C@H]3c3ccsc3)cc12 48225303 KRJJYFSYAIJVQM-AWEZNQCLSA-N 313.382 3.570 0 40 DHAB Cc1csc(NC(=O)c2cc(Cl)cc3cccnc23)n1 48231106 QHBUOXKCRSQMIZ-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB Cc1ccc(NC(=O)N(C)Cc2ccc(CN(C)C)cc2)cc1 58280233 QYFYXUSSSGNNKM-UHFFFAOYSA-N 311.429 3.721 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 59227414 MVNGBVPRDMRSNP-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CCCCNC(=O)Nc1cccc(C)c1NC(=O)C(C)(C)C 66088714 OAOICOJDHJHYQG-UHFFFAOYSA-N 305.422 3.901 0 40 DHAB COc1cccc(CCCNC(=O)CCc2ccccc2F)c1 66436221 SRSWTYYOXFGMJF-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB CCSc1nc2ccccc2c(=O)n1CCc1ccccc1 67259290 URBDJDTXLFWTHI-UHFFFAOYSA-N 310.422 3.751 0 40 DHAB C[C@H](NC(=O)Nc1ccc(Oc2ncccn2)cc1)C(C)(C)C 71902331 CTCCAJFJIHBTAD-LBPRGKRZSA-N 314.389 3.825 0 40 DHAB CN(C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72212685 VBMZHBURMXNOFS-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215308 GWCSBVCYCUIHJO-OAHLLOKOSA-N 317.433 3.752 0 40 DHAB CCCCNC(=O)c1ccnc2c(Br)cccc12 72243407 FBOMPNIYMMNCPL-UHFFFAOYSA-N 307.191 3.527 0 40 DHAB Cc1ccccc1C(=O)OC1CN(c2nc3ccccc3s2)C1 75166583 UPUGDPZDVAUIAS-UHFFFAOYSA-N 324.405 3.650 0 40 DHAB O=[S@](Cc1cccc(OC(F)F)c1)Cc1ccccc1F 78556004 AQBCSOPDVRHUPW-NRFANRHFSA-N 314.328 3.876 0 40 DHAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)[C@H]1CC=CCC1 90607222 POYMGYQWAWSGQG-AWEZNQCLSA-N 307.397 3.791 0 40 DHAB Cn1ccnc1-c1cccc(NCc2c[nH]nc2C(C)(C)C)c1 95428705 ZSAVMNOWPRJLHL-UHFFFAOYSA-N 309.417 3.720 0 40 DHAB c1ccc(Cc2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1 95959379 AHSZEKQSDHZOHC-UHFFFAOYSA-N 320.396 3.713 0 40 DHAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2Cc2cccnc2)c1 100728900 XAGFKPXRNZMYRL-MBOZVWFJSA-N 324.424 3.522 0 40 DHAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccc(F)c2F)CCC1 102746158 OTRIZZMDPSLYSG-ZDUSSCGKSA-N 318.283 3.583 0 40 DHAB O=C(c1cc2ccccc2o1)N(C[C@H]1CCCO1)c1ccncc1 114181022 QIOAQCMLEVXCAQ-MRXNPFEDSA-N 322.364 3.654 0 40 DHAB c1ccc2c(c1)-c1ccccc1C2NCCCOC1CCOCC1 183905302 FGOOCJKFWGGJTF-UHFFFAOYSA-N 323.436 3.932 0 40 DHAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccccn1 206892885 KMEGIFGEJRXUHK-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB O=C(O)/C=C/NC(=O)Nc1ccccc1Sc1ccccc1 222698914 OTJXUFXHIPVBJZ-ZHACJKMWSA-N 314.366 3.558 0 40 DHAB CC1CCN(c2ccc(NC(=S)NC3CCCC3)cn2)CC1 224034823 FGNKUXXIFLUEGS-UHFFFAOYSA-N 318.490 3.547 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1C 224603245 SRCNCQXADFOVRM-HNNXBMFYSA-N 315.388 3.569 0 40 DHAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COC 224685402 BRMCINVSTBZQEM-UHFFFAOYSA-N 321.323 3.762 0 40 DHAB Cc1ccnc(NC(=S)NCCSCc2ccccc2)c1 225291827 HOYFPISPLZFVTB-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB CC(C)NC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1 225470365 UPRJBTZADHCYER-UHFFFAOYSA-N 303.793 3.804 0 40 DHAB CC[C@@H](NC(=S)Nc1ccncc1)c1ccc(OC)cc1 225491188 IKANASRMQPWSPA-OAHLLOKOSA-N 301.415 3.528 0 40 DHAB CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 257205483 AZGYBNSHACJNIG-UHFFFAOYSA-N 321.346 3.972 0 40 DHAB CNc1cc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)ccn1 257330756 XPTKKDSWRGZFPO-LFAOLKIESA-N 313.426 3.562 0 40 DHAB CC(C)N1C(=O)S/C(=C\c2c(O)ccc3ccccc23)C1=O 409018923 XBHVQDBGGLRTMY-DHDCSXOGSA-N 313.378 3.990 0 40 DHAB CC1(C)CC[C@@H](Sc2nncn2CCc2ccccn2)C1 577279360 MQIWLQBGMNJHJL-CQSZACIVSA-N 302.447 3.587 0 40 DHAB Cc1cc([C@H](C)N2CCc3c(F)ccc(F)c3C2)oc1C(=O)O 582008589 SGCVFNWFHBOWQG-JTQLQIEISA-N 321.323 3.684 0 40 DHAB Cc1cccc([C@@H](C)NC(=O)c2nc[nH]c2C(F)(F)F)c1C 1543319233 JBYWXUWSDUKZRH-SNVBAGLBSA-N 311.307 3.536 0 40 DHAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccccc3)c2n1 271152 WDJNLWSWYKPAPU-UHFFFAOYSA-N 321.405 3.670 0 40 DHAB O=C(Nc1ncccc1Cl)c1ccccc1Br 550606 JZOSHRPDFPJLJE-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB FC(F)(F)c1nc2ccccc2c2nnc(-c3ccccc3)n12 1383137 WBNRMKCTSMMJPT-UHFFFAOYSA-N 314.270 3.963 0 40 DHAB COc1cc2ncnc(NCc3ccc(C)cc3)c2cc1OC 1386820 YAKWQVCFIIHGRR-UHFFFAOYSA-N 309.369 3.568 0 40 DHAB CCN[C@@H](CC)CCCNc1cc(OC)cc2cccnc12 2042686 AUKDLGJCMQVKGJ-HNNXBMFYSA-N 301.434 3.824 0 40 DHAB O=C1c2ccc(F)cc2C(=O)N1c1cccc(C(F)(F)F)c1 3204640 NULKOGGFDGQWNG-UHFFFAOYSA-N 309.218 3.645 0 40 DHAB CCOC(=O)c1ccc(Nc2cc(=O)oc3ccccc23)cc1 4663221 WVDYCJPCYHGGQH-UHFFFAOYSA-N 309.321 3.713 0 40 DHAB COc1cc2cc(C(=O)Nc3ccc(F)cc3)[nH]c2cc1OC 5346026 HILGZQCIKKYIFU-UHFFFAOYSA-N 314.316 3.577 0 40 DHAB COc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3C)sc2C)cc1 5578400 CAHYKTZJNZQGJH-RNCFNFMXSA-N 302.399 3.722 0 40 DHAB COc1ccc([C@H](C)c2cc(OC)c(OC)cc2OC)cc1 6437395 RZMSSHGMQOVNGV-LBPRGKRZSA-N 302.370 3.873 0 40 DHAB Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 6548729 UPOKCEDDNKPMMM-UHFFFAOYSA-N 317.801 3.788 0 40 DHAB CCCN1C(=O)S/C(=C/c2ccc(OC)c(OCC)c2)C1=O 6656718 VUEOFQOGBWNRPW-GXDHUFHOSA-N 321.398 3.540 0 40 DHAB Cn1cccc1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 7088055 QVHUIEPWLVFJBO-SFHVURJKSA-N 303.365 3.796 0 40 DHAB COc1ccc(COC(=O)c2cc(C)n(C3CC3)c2C)cc1F 7575527 VSLLJDVJICMUFS-UHFFFAOYSA-N 317.360 3.945 0 40 DHAB O=C(O[C@@H]1CCCCC1=O)c1ncc(Cl)c(Cl)c1Cl 8075296 OOMJQIPRQKIBFJ-MRVPVSSYSA-N 322.575 3.710 0 40 DHAB CC(C)[C@@H](NC(=O)c1ccsc1)c1ccc2c(c1)OCCO2 8124997 IMLRRPRKRQLYPI-MRXNPFEDSA-N 317.410 3.646 0 40 DHAB COc1cccc(CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 8248843 WZLSNHPUPYPVQB-GFCCVEGCSA-N 315.438 3.812 0 40 DHAB Cc1cnc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)s1 8271976 QHWZRFXICDZDRV-UHFFFAOYSA-N 324.409 3.767 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2F)c1 8328640 BERKXONRVVLYFM-UHFFFAOYSA-N 321.735 3.826 0 40 DHAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 8752004 SXJPWQNAJNDGIB-LBPRGKRZSA-N 309.344 3.707 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2ccc3ncsc3c2)c1 10217164 MTICCERTXSJGSC-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB Cc1ccc(NC(=O)c2cc(F)ccc2Br)nc1 12522996 HJFCXTARNVHAFQ-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB CC(C)[C@@H](NC(=O)CC1(C(=O)O)CCCC1)c1ccc(F)cc1 13468974 MEBBEGRYJNQLGN-MRXNPFEDSA-N 321.392 3.674 0 40 DHAB Cc1cccc(CCCNC(=O)COc2ccc(Cl)cc2)c1 13648038 VGAVIKCEKNFZHQ-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB CN(Cc1cnn(-c2ccccc2)c1)c1ncnc2sccc12 15140773 HJQXWICUMCJLIX-UHFFFAOYSA-N 321.409 3.513 0 40 DHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(F)c1 15608588 ZGNJKWSQUZHBDL-GFCCVEGCSA-N 314.360 3.606 0 40 DHAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(C(=O)O)s1 16158383 MPIPDDSPJIASBB-UHFFFAOYSA-N 303.261 3.715 0 40 DHAB COc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 16301170 LAAKBUAFFYIZBT-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB O=S(=O)(NC1CCCCCC1)c1ccc(Cl)cc1Cl 16780116 ZAPYIYIYGITAMY-UHFFFAOYSA-N 322.257 3.995 0 40 DHAB Cc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 23384067 KEBDAEJFGHPFBW-LJQANCHMSA-N 309.409 3.581 0 40 DHAB COc1ccccc1C(=O)N[C@@H](C)c1ccccc1OC(F)F 25297031 CDUKPGSDYQWJGP-NSHDSACASA-N 321.323 3.788 0 40 DHAB CNc1nnc(SCc2csc(-c3ccco3)n2)s1 25621536 JDDFUQNVEHNICB-UHFFFAOYSA-N 310.429 3.589 0 40 DHAB COCCn1c(-c2ccc(Br)cc2)c[nH]c1=S 26423102 WULOCSKZKNCADA-UHFFFAOYSA-N 313.220 3.622 0 40 DHAB Cc1ccccc1OCc1ccc(C(=O)Nc2ccncc2)o1 28237373 XTHGXBJSAGAHGU-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB COc1ccc(OC)c(C(=O)N(C)Cc2ccc(C)cc2C)c1 32739350 XFOWVDSEFKADKV-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB Fc1cccc(Cl)c1-c1nc2cc3c(cc2[nH]1)OCCO3 37400560 ABOVODIUZOVYBW-UHFFFAOYSA-N 304.708 3.794 0 40 DHAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)sn1 38680489 XBDBQMKQFHNTFK-UHFFFAOYSA-N 317.197 3.776 0 40 DHAB Cc1cc(C(=O)N(C)c2ccccc2)c(C)n1-c1nccs1 40090982 ILEZPAGJRGOYNJ-UHFFFAOYSA-N 311.410 3.827 0 40 DHAB O=C1NC(=O)c2ccccc2/C1=C\c1ccc(Cl)c(Cl)c1 45560425 OOXLDSMVLCUVSP-KPKJPENVSA-N 318.159 3.804 0 40 DHAB Cc1cc(NC(=O)CNc2ccc(-c3ccccc3)cc2)no1 46169798 GWAAOINYGZVENO-UHFFFAOYSA-N 307.353 3.701 0 40 DHAB C[C@@H]1C[C@H](OC(=O)/C=C/c2cccc(-c3ccccc3)c2)C(=O)O1 46494570 WDJCWWJRYJVYAC-UTBWHBDQSA-N 322.360 3.614 0 40 DHAB CC[C@H](NC(=O)N(C)Cc1c(C)noc1C)c1cccs1 57242324 ULSVINKYTOLDMW-ZDUSSCGKSA-N 307.419 3.646 0 40 DHAB O=C(c1ccnc(NC2CC2)c1)N1CCC[C@H]1Cc1ccccc1 58423384 AJAUHMBKOSCKJL-SFHVURJKSA-N 321.424 3.503 0 40 DHAB CCCN(Cc1ccccc1)C(=O)Cc1noc2ccccc12 61440559 CIROPLBNAIHKFO-UHFFFAOYSA-N 308.381 3.809 0 40 DHAB C[C@H](NCc1nc(-c2ccccc2)cs1)[C@H](C)n1cccn1 69372163 HVPSQQNRKUYCPR-KBPBESRZSA-N 312.442 3.746 0 40 DHAB CCc1n[nH]c(S[C@H](C)c2ncc(-c3ccccc3)o2)n1 69975525 BJLFQWAKPKKYEM-SNVBAGLBSA-N 300.387 3.875 0 40 DHAB C[C@H](OC(=O)c1ccc(NC2CC2)nc1)c1c(F)cccc1F 70036740 BKZXHHLOTHPMIG-JTQLQIEISA-N 318.323 3.852 0 40 DHAB COc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72211716 ZRXYPWDEDCZTEY-INIZCTEOSA-N 312.369 3.564 0 40 DHAB CCc1csc([C@@H]2CCCN(C(=O)c3ccoc3C)C2)n1 72282184 NRLVDRCGROICIS-GFCCVEGCSA-N 304.415 3.627 0 40 DHAB Cc1cc(CC(=O)Nc2cc(-c3ccco3)ccc2F)no1 72500197 XSKWEOSJOLEPNP-UHFFFAOYSA-N 300.289 3.563 0 40 DHAB CN1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 72792901 CFSZPKZKXIKYBH-UHFFFAOYSA-N 324.424 3.546 0 40 DHAB C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C1CCOCC1 75145161 OHAFCBQTFBTSRK-OAHLLOKOSA-N 301.430 3.803 0 40 DHAB O=C(OC1([C@@H]2CCOC2)CC1)c1ccc(-c2cscn2)cc1 84421555 QTLZSDPXBLJONS-CQSZACIVSA-N 315.394 3.536 0 40 DHAB CC(=O)Nc1ccc(C)cc1NC(=O)CCO[C@H](C)CC(C)C 87237610 WMVMMIWXIDPPLD-CQSZACIVSA-N 320.433 3.733 0 40 DHAB CN(Cc1cccc(C(F)(F)F)c1)Cc1nnsc1Cl 89361499 YPYDAMFBBLBEPT-UHFFFAOYSA-N 321.755 3.842 0 40 DHAB CCN(Cc1ccccn1)Cc1cnc(C)n1-c1ccccc1 93338800 QMFNIZYHRIATMR-UHFFFAOYSA-N 306.413 3.598 0 40 DHAB Cc1ccc(C)c([C@@H]2CCCN2c2cnnc(O)c2Cl)c1 95416578 RYJSTUOCBPHZBB-ZDUSSCGKSA-N 303.793 3.794 0 40 DHAB Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)c1n[nH]c(C)n1)CC2 95421730 AMSPZROQRILBRP-MOPGFXCFSA-N 318.424 3.788 0 40 DHAB CCc1nc(CN[C@@H](C)c2ccc(F)cc2N(C)C)cs1 95422161 WVUIOJNRRWLASF-NSHDSACASA-N 307.438 3.761 0 40 DHAB C[C@H](NC[C@@](C)(O)c1cccs1)c1cnc2ccsc2c1 95968309 LUBMEQVMYMOYGR-MEDUHNTESA-N 318.467 3.916 0 40 DHAB FC(F)(F)c1cc(I)c2ccccc2n1 96171867 ZOTZSXILHAXXRU-UHFFFAOYSA-N 323.055 3.858 0 40 DHAB CC(C)=CC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 96412631 RFXFZSVHIGKUME-QGZVFWFLSA-N 307.821 3.578 0 40 DHAB C[C@H](C(=O)NC[C@H]1CCOc2ccccc21)c1cccs1 96413817 DJIWUGXNLSGTGD-QWHCGFSZSA-N 301.411 3.534 0 40 DHAB CC(C)(C)c1ccc(CNS(=O)(=O)c2cccs2)cc1 106376044 MUILKPJZFYRDGZ-UHFFFAOYSA-N 309.456 3.524 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1cccs1)c1ccccc1Cl 121885900 UYXDITVCPIWPFN-HVHJFMEUSA-N 321.829 3.919 0 40 DHAB C[C@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(Cl)cc1 164034589 LJXWSUCOGZGATH-NSHDSACASA-N 313.788 3.718 0 40 DHAB CCCSc1nnc(NC(=S)Nc2ccccc2)s1 222894944 PAYCOGGPIRSKSW-UHFFFAOYSA-N 310.473 3.849 0 40 DHAB Cc1nc(-c2nnsc2C(=O)OC2CCCCCCC2)co1 223859049 FYETXMYOTJPUSB-UHFFFAOYSA-N 321.402 3.771 0 40 DHAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cn1 225909484 CXJNPTBHLBRNIR-UHFFFAOYSA-N 320.433 3.938 0 40 DHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 253578445 YIVPJNWRBALPOE-XOUADPBQSA-N 313.784 3.598 0 40 DHAB Cc1cc(/C=C/C(=O)O)cc(C)c1OC(=O)c1ccccc1F 256050004 CFUZZRXGLOFHMQ-BQYQJAHWSA-N 314.312 3.760 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618256332 GNLXWAJCDAWBPX-WVCXUFCWSA-N 323.392 3.672 0 40 DHAB O=C1OC(c2cccs2)=N/C1=C/c1ccc(OC(F)F)cc1 126648 LMYWHNPOHWYOHM-DHZHZOJOSA-N 321.304 3.694 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 140331 KONSOSSLUBJREG-GJZGRUSLSA-N 303.402 3.948 0 40 DHAB O=C(Nc1ncnc2sc3c(c12)CCCC3)c1cccs1 533989 GXSXCZAIFRZHFO-UHFFFAOYSA-N 315.423 3.884 0 40 DHAB CN(C)C(=O)c1sc2cc(OC(F)F)ccc2c1Cl 2788807 CDBPLFBNTUCLAM-UHFFFAOYSA-N 305.733 3.858 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)c2ccccc2)cc1OC 3296426 ISQGFCBAQDFMFW-CQSZACIVSA-N 313.397 3.514 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccccc1 3530156 VPAGOPLJZQOZCG-GFCCVEGCSA-N 318.756 3.533 0 40 DHAB CCCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 5215144 FNNFSGYHLANGLM-GXDHUFHOSA-N 321.398 3.540 0 40 DHAB Cc1cc(NC(=O)COc2ccc(Oc3ccccc3)cc2)no1 5293057 HNNBWBAJTNCSRA-UHFFFAOYSA-N 324.336 3.793 0 40 DHAB CCN[C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5472143 LALGVBGKEVDTEZ-KRWDZBQOSA-N 321.376 3.717 0 40 DHAB Cc1c(NC(=O)c2ccco2)cccc1NC(=O)c1ccco1 5532693 ODHYSTNJOQDZHD-UHFFFAOYSA-N 310.309 3.686 0 40 DHAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 6649336 QOKNPCSXLOVEIO-BUHFOSPRSA-N 322.408 3.868 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1CC(F)(F)F 7113196 JEBRWLJPTACSJX-AWEZNQCLSA-N 322.286 3.521 0 40 DHAB O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCC1 8230667 OJFGXBMHMHYAAU-UHFFFAOYSA-N 306.340 3.887 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccccc1 8478201 FFRVDWTUUOMBAT-GDBMZVCRSA-N 313.397 3.730 0 40 DHAB CC(=O)c1c(F)cccc1N[C@H](c1ccccc1)c1nccn1C 12525604 GJDGACIENSVHPG-GOSISDBHSA-N 323.371 3.963 0 40 DHAB CN(C)c1cccc(C(=O)NCCCSc2ccccc2)c1 12526897 UTDJXJOGVPWDEX-UHFFFAOYSA-N 314.454 3.665 0 40 DHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1F 12595463 JGDTWOPWODFTND-LLVKDONJSA-N 316.351 3.893 0 40 DHAB CC(C)CC(=O)Nc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 12809018 HDNHZAXSFODYTJ-AWEZNQCLSA-N 300.402 3.966 0 40 DHAB COc1ccc(CNC(=O)N[C@H](c2ccccc2)C2CC2)cc1 12997279 NBFLFKBWBCQIAD-GOSISDBHSA-N 310.397 3.646 0 40 DHAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 13225163 FXUMVFKWQOPVTE-SZMVWBNQSA-N 323.392 3.698 0 40 DHAB in-vitro C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(F)ccc1F 15583494 WDHIYYPJOKPOMF-LLVKDONJSA-N 316.351 3.893 0 40 DHAB COc1ccc(NC(=O)N2CCCc3ccccc32)cc1OC 15934315 XCJZSEVSWIZTQM-UHFFFAOYSA-N 312.369 3.689 0 40 DHAB Cc1oc2ccccc2c1CN(CCN(C)C)Cc1ccncc1 19581940 VMUHEUSQVQVCOZ-UHFFFAOYSA-N 323.440 3.700 0 40 DHAB Cc1nn(C)cc1CN1C[C@H](c2ccccc2)C2(CCCC2)C1 19583736 UQWQSJGPWLYRMU-LJQANCHMSA-N 309.457 3.888 0 40 DHAB Cc1nc(N[C@H](C)c2ccccn2)cc(-c2cc(C(C)C)n[nH]2)n1 19655715 OPAWROHATSIXIB-GFCCVEGCSA-N 322.416 3.867 0 40 DHAB COc1ccc(Cc2nc(C)c3cc(Cl)n(C)c3n2)cc1 22113840 NGHRXKLHZQQUDU-UHFFFAOYSA-N 301.777 3.530 0 40 DHAB CCN1CCC[C@@H]1CN(Cc1ccccc1)Cc1ccncc1 23247749 KKELUAQJFRRDDP-HXUWFJFHSA-N 309.457 3.568 0 40 DHAB CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 25767298 WJXHHWCHUDXSPZ-KRWDZBQOSA-N 321.417 3.642 0 40 DHAB Cc1nc(COc2ccccc2C(=O)NC2CCCC2)cs1 27774763 QWZLMQDRGAYPOJ-UHFFFAOYSA-N 316.426 3.703 0 40 DHAB Cc1ccc(C(=O)CCC(=O)NCCCc2ccccc2)s1 28645149 XAXAKEXZLONLME-UHFFFAOYSA-N 315.438 3.768 0 40 DHAB O=C(COc1ccccc1-c1ccccc1)Nc1ccccn1 32732255 UCQFYZVUBXATQU-UHFFFAOYSA-N 304.349 3.766 0 40 DHAB COc1ccc([C@@H]2CCN(C(=O)c3ccccc3Cl)C2)cc1 38566487 QXIXSNPVLVMNJU-CQSZACIVSA-N 315.800 3.978 0 40 DHAB Cn1c(C(=O)Nc2nc3ccc(F)cc3s2)cc2occc21 40287989 MPAMEZMUSLQLLK-UHFFFAOYSA-N 315.329 3.772 0 40 DHAB COc1ccc([C@@H]2CCCN2Cc2nnsc2Cl)cc1 40466166 WAXARKMDDIXODO-ZDUSSCGKSA-N 309.822 3.537 0 40 DHAB Cc1cc(C)c(NC(=O)NC[C@@H](O)c2ccccc2F)c(C)c1 40525456 SKGISKQIRFOPQS-MRXNPFEDSA-N 316.376 3.606 0 40 DHAB Cc1cc(N)cc(C)c1NC(=O)c1ccc(Br)cc1 45888836 JWSXUVJLXVODBO-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB c1ccc2c(c1)-c1ccccc1C2N1CCC2(CC1)OCCO2 52533045 CZHGLJVJFIYZHU-UHFFFAOYSA-N 307.393 3.595 0 40 DHAB O=C(NO[C@H]1CCCCO1)c1ccccc1Nc1ccccc1 60333150 HCXSHWGHGSVYLJ-KRWDZBQOSA-N 312.369 3.618 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](c3ccccc3)C2)cc1 69701716 AVVAUGMMDLNEKV-WBVHZDCISA-N 324.424 3.512 0 40 DHAB CC(C)[C@H](C)CC(=O)Nc1ccccc1NC1CCN(C)CC1 69808793 JQTCZLQXTHIPNN-OAHLLOKOSA-N 317.477 3.813 0 40 DHAB CSC[C@@H](C(=O)Oc1ccc2[nH]ncc2c1)c1ccccc1 75092198 OOQOMHWUUOLFAQ-OAHLLOKOSA-N 312.394 3.615 0 40 DHAB CC(=O)O[C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 85722620 QWMWZEMANMVJOO-JLTOFOAXSA-N 323.392 3.725 0 40 DHAB Cc1c(COC(C)C)cccc1NC(=O)N(C)[C@H]1CCSC1 89540399 MDIGPZXBVDDGSL-HNNXBMFYSA-N 322.474 3.889 0 40 DHAB O=C(N1CC[C@@]2(CCOC2)C1)C1(c2cccs2)CCCCC1 89799954 RYAQVPTUUDYTDI-QGZVFWFLSA-N 319.470 3.589 0 40 DHAB O=C(c1cnns1)N1CCCc2cc(-c3ccccc3)ccc21 89851197 MXAGKBXVERWKHK-UHFFFAOYSA-N 321.405 3.798 0 40 DHAB C[C@H](CN[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 95422767 FKNJFNMAMVAERV-CHWSQXEVSA-N 323.483 3.606 0 40 DHAB O[C@@H](c1cccc(Br)c1)c1cc(F)c(F)c(F)c1 95730252 PGXJCZZXUPZGLM-ZDUSSCGKSA-N 317.104 3.948 0 40 DHAB CCc1ccc(Nc2cc(C(=O)N3CCCCC3)nc(C)n2)cc1 96182833 JHSDDBMEDJNYHC-UHFFFAOYSA-N 324.428 3.717 0 40 DHAB COc1ccc(NC(=O)NC(C)(C)c2nccs2)cc1C 96407953 RMVVEAIQJVACGS-UHFFFAOYSA-N 305.403 3.517 0 40 DHAB O=[S@](C[C@H]1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1 194504807 RBEYHKFVBKSSAK-LILOVNGRSA-N 312.740 3.645 0 40 DHAB Cc1cc(O[C@@H](Cc2ccccc2F)C(=O)O)ccc1Cl 225051060 BHCWQAKGCDFRDH-HNNXBMFYSA-N 308.736 3.862 0 40 DHAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 225611450 IVKXRCIJMNJCIN-UHFFFAOYSA-N 324.424 3.623 0 40 DHAB CCOc1ccccc1C(=O)NCc1ccc(-c2ccco2)nc1 238876293 OCVGGBCBGWCWKA-UHFFFAOYSA-N 322.364 3.670 0 40 DHAB CN(C)c1cccc(CC[C@H]2CCCCN2Cc2ccccn2)n1 257214190 CKYNWFZOXLBBJJ-LJQANCHMSA-N 324.472 3.530 0 40 DHAB c1csc(-c2cnc3n2CCN(Cc2ccsc2)C3)c1 306143094 XTGORACSOBHUBW-UHFFFAOYSA-N 301.440 3.689 0 40 DHAB Cc1cc(CCC(=O)N2CC[C@@H](OCC3CC3)C2)ccc1Cl 390829367 DVHKJEFOQVMFPJ-MRXNPFEDSA-N 321.848 3.609 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1cccc3ccccc13)[C@H]1C=C[C@H]2CC1 409380695 BDVSGDNXXVXYMJ-LNMJFAINSA-N 317.388 3.537 0 40 DHAB COc1cncc(/C=C/CCN2CCC[C@H]2c2cc(C)no2)c1 568388760 ROONRGPMNPCZRO-ZVVFDCPKSA-N 313.401 3.627 0 40 DHAB CC(C)n1cc(COc2ccc(C=O)cc2Br)cn1 575410853 GVKAKQQASPOAQW-UHFFFAOYSA-N 323.190 3.618 0 40 DHAB Cc1ccc(OC[C@@]2(O)CCCN(C3CCCC3)CC2)c(C)c1 585280830 ARVPZJPSMRFDDE-HXUWFJFHSA-N 317.473 3.842 0 40 DHAB Cc1cc(O)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1503350632 PMSQSAUWVCQGRR-UHFFFAOYSA-N 324.377 3.772 0 40 DHAB c1csc(OC2CCN(c3ccnc4ccsc34)CC2)n1 2086889563 UZMKWLGESJRDOU-UHFFFAOYSA-N 317.439 3.801 0 40 DHAB Cc1nccn1C[C@@H]1CCc2c(c3cccc4c3n2CCC4)C1=O 1149 NCNFDKWULDWJDS-HNNXBMFYSA-N 319.408 3.538 0 40 DHAB in-vitro CCOC(=O)c1oc2ccccc2c1NC(=O)C1CCCC1 253003 JTOWFLUVJNZKSI-UHFFFAOYSA-N 301.342 3.738 0 40 DHAB O=c1[nH]c(-c2ccccn2)nc2scc(-c3ccccc3)c12 388014 SYVXEDSLZZASBA-UHFFFAOYSA-N 305.362 3.714 0 40 DHAB CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1 410331 UVIRHXQHFGBHNA-UHFFFAOYSA-N 319.411 3.595 0 40 DHAB CCN(CC)C(=O)CSc1nc2ccc(C)cc2cc1C 412444 PMNTVDUKWDXRCF-UHFFFAOYSA-N 302.443 3.812 0 40 DHAB O=C1O[C@H]([C@H]2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 1855490 AKBGLPRWJDGEQF-PXNSSMCTSA-N 318.372 3.832 0 40 DHAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=O)cs1 2619175 HXMBMOCLHRKRAE-UHFFFAOYSA-N 314.288 3.659 0 40 DHAB C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cccc(Cl)c1 3246362 MPSHZXVTKBXBHR-WSKFYRRCSA-N 319.744 3.517 0 40 DHAB Cc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 3481332 DVJOGYFWEXRUBR-KRWDZBQOSA-N 311.381 3.805 0 40 DHAB O=C(O)c1ccccc1NC(=O)c1csc2c1CCCC2 4263973 WYDKNVDGVABXNQ-UHFFFAOYSA-N 301.367 3.577 0 40 DHAB O=C1OC(c2ccccc2)=N/C1=C\c1c(F)cccc1Cl 4644710 DJXHAHGWEYUHIN-ZROIWOOFSA-N 301.704 3.824 0 40 DHAB C/C(=C\c1ccccc1)C(=O)N1C(=O)OC[C@@H]1c1ccccc1 5494346 SUFWXWMGGYQMKZ-ABDJAZHISA-N 307.349 3.810 0 40 DHAB Cc1ccc(OC(=O)CCCC(=O)Oc2ccc(C)cc2)cc1 5545073 DYIDVUQBNZAYID-UHFFFAOYSA-N 312.365 3.985 0 40 DHAB O=C(OCc1nc(-c2ccccc2)no1)c1ccccc1Cl 5692532 UELFEURQUKYAAX-UHFFFAOYSA-N 314.728 3.747 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2)n1 6085013 WZPNAOVVRWBJJT-UHFFFAOYSA-N 323.396 3.663 0 40 DHAB Cc1c(C)n(CC(C)C)c2ncnc(Nc3nccs3)c12 6719619 VOVCTAUPQUZCCT-UHFFFAOYSA-N 301.419 3.904 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)c(C)c1C 8132524 BBUKMWZSWAGAQJ-UHFFFAOYSA-N 307.390 3.860 0 40 DHAB O=C1c2ccccc2N[C@]2(CCSC2)N1Cc1ccccc1 8391751 LZRQSUBBHKVETQ-GOSISDBHSA-N 310.422 3.588 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(C(F)(F)F)cc1 8718240 SGQMIBXZTUWISP-UHFFFAOYSA-N 323.270 3.964 0 40 DHAB COc1cccc(C(=O)Nc2nc3nc(C)cc(C)c3s2)c1 11666325 MVZMOTZXEJDWBX-UHFFFAOYSA-N 313.382 3.569 0 40 DHAB Cc1ccc(NC(=O)CCCc2nc3ccccc3s2)nc1 12526895 UZNZUXVEIPWXOM-UHFFFAOYSA-N 311.410 3.961 0 40 DHAB O=c1ccc(C(F)(F)F)cn1Cc1cc(-c2ccccc2)no1 12787269 HGKZBJYILSWLBL-UHFFFAOYSA-N 320.270 3.570 0 40 DHAB O=C(Nc1ccccc1F)c1nn(-c2ccccc2)c2c1CCC2 12999672 HZJSNHHPWUQPIJ-UHFFFAOYSA-N 321.355 3.752 0 40 DHAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)O 13095031 QUAFNALOLHHWGL-MDZDMXLPSA-N 301.729 3.690 0 40 DHAB COC(=O)c1ccc(/C=C2\Sc3ccccc3NC2=O)cc1 13137839 CZBKZZMQYVFYPA-GDNBJRDFSA-N 311.362 3.559 0 40 DHAB Cc1cccc(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)c1C 13249843 ZMCKYHNUSMAAAL-LJQANCHMSA-N 311.381 3.675 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)OCO2 14201507 GDCAZWBMURBEDX-ZDUSSCGKSA-N 315.394 3.626 0 40 DHAB Cc1cn2c(CC(=O)Nc3cccc(Cl)c3)csc2n1 15565497 SZEROBWHPVJNON-UHFFFAOYSA-N 305.790 3.539 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 15648527 JSNXPLQKHIIKME-CXAGYDPISA-N 301.361 3.861 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736509 PVJBEJYGDOYERB-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB CN(C1CCCC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 20456970 YKQLNGOXHGXZGK-UHFFFAOYSA-N 322.257 3.698 0 40 DHAB COc1cccc(CN(C)C(=O)c2ccc(C)c(C)c2)c1OC 23057886 XLOPEKOBPBBTGB-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 23762714 VESZWKXHAXKYSD-LBPRGKRZSA-N 322.364 3.882 0 40 DHAB COc1ccc(C(C)=O)cc1Cn1cnc2cc(C)c(C)cc21 25218983 MLQKQBJCDOXDQR-UHFFFAOYSA-N 308.381 3.913 0 40 DHAB CSc1ccc([C@@H](C)NC(=O)c2cccc3cn[nH]c23)cc1 27165617 FINMYWWMVQIJGY-LLVKDONJSA-N 311.410 3.776 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)Cc3ccccc3C)c2)n1 32025514 ONYIVFWWUNNGTJ-UHFFFAOYSA-N 317.392 3.942 0 40 DHAB Cc1ccsc1CNC(=O)CCSc1ccccc1F 32800931 UCTDLQPYWDCPRA-UHFFFAOYSA-N 309.431 3.994 0 40 DHAB Cc1nnc(CN2CCc3sccc3[C@H]2c2cccs2)o1 32819580 XNBDCTKYIJYTRE-HNNXBMFYSA-N 317.439 3.649 0 40 DHAB O=S(=O)(NCc1ccco1)c1cccc2cccc(Cl)c12 33674507 LKRIJFRWLRYUHD-UHFFFAOYSA-N 321.785 3.565 0 40 DHAB CC(=O)c1nnc(-c2ccccc2)n1Nc1ccc(Cl)cc1 36649171 ZSDYAZMKWZFAQK-UHFFFAOYSA-N 312.760 3.676 0 40 DHAB COC(=O)c1ccccc1NC(=O)Cc1ccc2ccccc2c1 40159816 FSSBICSSICUTEF-UHFFFAOYSA-N 319.360 3.808 0 40 DHAB Fc1ccc(NCc2n[nH]c(-c3cccc(Cl)c3)n2)cc1 40174551 VTMGLPGXJIQTCY-UHFFFAOYSA-N 302.740 3.876 0 40 DHAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccccc2-c2ccccc2)cn1 48311978 UWKGJKCSVBCUAZ-MSOLQXFVSA-N 317.392 3.829 0 40 DHAB C[C@H](Sc1nnc(N)s1)c1ccc(OC(F)(F)F)cc1 48987272 GEVQTJUJFQEERK-LURJTMIESA-N 321.349 3.872 0 40 DHAB COc1c(F)cc(NC(=O)N2CCc3sccc3C2)cc1F 56717680 ZBRKZGQZBCOATK-UHFFFAOYSA-N 324.352 3.625 0 40 DHAB CC[C@@H](Sc1nc(C)c(CC(N)=O)s1)c1ccccc1 58227700 RXDAGATYWGEVCU-GFCCVEGCSA-N 306.456 3.723 0 40 DHAB COc1ccc(Cl)cc1NCCC(=O)N1CCCCCCC1 65859094 UQYGUSOSHMNIAF-UHFFFAOYSA-N 324.852 3.943 0 40 DHAB COc1ccc(C)cc1CNC[C@H](c1ccc(F)cc1)N(C)C 71947204 PYFUAUWZUXYPCF-GOSISDBHSA-N 316.420 3.535 0 40 DHAB CN[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72207675 LPJBZPQJQRTGFC-JKSUJKDBSA-N 304.434 3.737 0 40 DHAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCCC2)nc1 72215930 HNNPQYQUVFBZLR-SFHVURJKSA-N 321.424 3.659 0 40 DHAB C[C@H](c1ccco1)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 72543116 RDNAXMIJYURQLX-CQSZACIVSA-N 324.384 3.749 0 40 DHAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cccc(Cl)c1 76056521 VONAIJUBCQOQJP-IGCXYCKISA-N 320.864 3.638 0 40 DHAB O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCCC1 78545158 CYUATKZBMLOXFZ-UHFFFAOYSA-N 314.429 3.878 0 40 DHAB O=C(COCC1CC1)Nc1cccc(C2SCCCS2)c1 78797375 RPQWIASPNWSTME-UHFFFAOYSA-N 323.483 3.920 0 40 DHAB C[C@@H](c1cccs1)[S@](=O)Cc1cnn(-c2ccccc2)c1 89910220 OLGGKGICHNUMOF-ZSEKCTLFSA-N 316.451 3.944 0 40 DHAB O=C(NCc1ccccn1)N1C[C@@H]2CCCC[C@]21c1ccccc1 91531753 YPSNSUJUJHCIFI-PXNSSMCTSA-N 321.424 3.693 0 40 DHAB Cc1cc2ccccc2nc1NCc1ccc([S@@](C)=O)cc1 95426323 SIDWOGJMPBOFJR-QFIPXVFZSA-N 310.422 3.893 0 40 DHAB C[C@H](c1ccc(F)cc1F)N1CCc2c(ncn2C2CC2)C1 95950597 KPDKMMYXYLFOBO-LLVKDONJSA-N 303.356 3.616 0 40 DHAB COc1ccccc1[C@@H]1CCN(Cc2nc(C)c(C)s2)C1 95964892 PBMPSMYSGJPVTD-CQSZACIVSA-N 302.443 3.758 0 40 DHAB CCOCc1ccccc1NC(=O)N1CCS[C@@H](CC)C1 96434244 ALCVBJNMPVURGV-AWEZNQCLSA-N 308.447 3.582 0 40 DHAB Cc1ccc(-c2cc(Oc3ccc(C(=O)O)cc3)ncn2)cc1 96531097 WEUVZALXOLPNJF-UHFFFAOYSA-N 306.321 3.943 0 40 DHAB O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]1C1CCC1 102876074 UDYUZIVHFBRLNG-IBGZPJMESA-N 312.457 3.687 0 40 DHAB c1csc(-c2nc(CN3CCO[C@H]4CCCC[C@H]43)co2)c1 106826444 FSQVYMGPENJHLL-KGLIPLIRSA-N 304.415 3.547 0 40 DHAB CS[C@@H]1CCC[C@@H]1NC1CCN([C@@H]2CCCC[C@@H]2C)CC1 108357973 MFRRLFHEZHWJCH-DZJNRPSUSA-N 310.551 3.903 0 40 DHAB CCS[C@H]1CC[C@@H](NC(=O)Cc2cnc3ccccc3c2)C1 131374688 NEHXJHGRZLZJAM-CVEARBPZSA-N 314.454 3.568 0 40 DHAB COCc1cccc(C(=O)N(CC(F)F)c2ccc(F)cc2)c1 193860246 VPMAHBBJHAKGQG-UHFFFAOYSA-N 323.314 3.884 0 40 DHAB CCc1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)cc1 216950322 ALCQFYJHBGUXQS-UHFFFAOYSA-N 307.349 3.899 0 40 DHAB Cc1ccc(CC(=O)NCCSCc2ccccc2)c(C)c1 223641669 OOBVHORFVZPJSB-UHFFFAOYSA-N 313.466 3.896 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 224610113 UWNFPJPXJUZFMG-IAGOWNOFSA-N 311.425 3.991 0 40 DHAB COc1ccccc1C(=O)NCc1cncc(-c2cccs2)c1 225663600 KONCKZBTTYPEBQ-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccoc1 225711967 QCZRXDORHDEQNH-UHFFFAOYSA-N 303.211 3.612 0 40 DHAB COC(=O)c1ccc(C)c(NC(=S)NC2(C)CCCCC2)c1 225856573 GEDCILJDISKPLY-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB CCn1ccc(NC(=O)c2sc(C)nc2-c2ccccc2)n1 257173816 YCRRFWQUOKFDIT-UHFFFAOYSA-N 312.398 3.587 0 40 DHAB Cc1ccnc([C@H]2CCN(C(=O)c3csc(C(C)C)c3)C2)n1 257236105 HATYESDKYCUDCT-ZDUSSCGKSA-N 315.442 3.600 0 40 DHAB Cc1cc(CC(=O)NC[C@@H]2C[C@@H](C(C)C)c3ccccc32)no1 279616946 RLKMCYCMIYPFOL-KSSFIOAISA-N 312.413 3.569 0 40 DHAB COCC[C@H]1CN(Cc2ccc(C)s2)Cc2cccn2C1 585094659 RVEOTJGUXUKPEF-HNNXBMFYSA-N 304.459 3.527 0 40 DHAB COc1ccc(C(=O)NCc2cc(-c3ccoc3)cs2)cc1 1775969700 GXWMVLXEGVNSFY-UHFFFAOYSA-N 313.378 3.947 0 40 DHAB FC(F)(F)c1ccnc(C2=N[C@H]3c4ccccc4C[C@H]3O2)c1 1857776030 UPCGBBBEHMGVTE-KGLIPLIRSA-N 304.271 3.543 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN(Cc2ccncc2)C1 1888882036 XNFXDQMQNIGMMJ-UHFFFAOYSA-N 306.413 3.612 0 40 DHAB Cc1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 257631 SYTJPQAXEMKGMS-KRWDZBQOSA-N 314.385 3.801 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1cccc(Cl)c1Cl 342041 KEJGRTUABBATER-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB Cc1ccccc1CSCC(=O)NCc1ccc(F)cc1 3380262 RAECHDBKHYJEHZ-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccs2)N3)C1 4556133 VNNDLTJLUMCMCA-ZDUSSCGKSA-N 319.455 3.617 0 40 DHAB O=C(Nc1ccccc1F)C(=O)Nc1cccc2ccccc12 4907826 FMGBITCJNHTOCR-UHFFFAOYSA-N 308.312 3.556 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@H]1CCCC[C@@H]1SC[C@@H]2O 4918132 QSGJCDIDVQRUTA-JKOKRWQUSA-N 324.442 3.519 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)c1ccc(F)cc1 4966427 NXMNKESJCSUBAM-XCVCLJGOSA-N 318.731 3.918 0 40 DHAB C[C@H]1C=CCC(C)(C)[C@H]1C(=O)C[C@@H](C)NCc1cccnc1 5249606 YOGMQUBAEAYSMA-HDMKZQKVSA-N 300.446 3.757 0 40 DHAB COc1cccc(CNC(=O)Nc2cn(C)c3ccccc23)c1 5265735 NBKZLETWEILEJC-UHFFFAOYSA-N 309.369 3.509 0 40 DHAB CCSc1nnc(NC(=O)c2cc3ccccc3o2)s1 5443183 VTNJEYBOCZOOJU-UHFFFAOYSA-N 305.384 3.649 0 40 DHAB CC(C)CNC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 5532774 IUIOROHSEKMRHH-UHFFFAOYSA-N 321.380 3.789 0 40 DHAB COc1cc(NC(=O)c2ccccc2Cl)cc(OC)c1OC 5577462 CBUHCERQPRDGNE-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB COc1ccc(C(C)=O)c(OC(=O)/C=C/c2cccs2)c1 6022725 YNGKPIQGKWFRSM-SOFGYWHQSA-N 302.351 3.578 0 40 DHAB CCc1cccc2c(C=O)cn(CC(=O)Nc3ccccc3F)c12 6285807 FLBJZXDUGIXTID-UHFFFAOYSA-N 324.355 3.794 0 40 DHAB O=C(CCc1ccco1)NCCc1ccc(Cl)cc1Cl 7718448 CPFFVJMXZHLNAC-UHFFFAOYSA-N 312.196 3.878 0 40 DHAB COc1ccc(CC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 8237745 YZCLNQQHXPTQPV-CYBMUJFWSA-N 309.365 3.861 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccccc12 8280199 LLAVAJLDEQJADD-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(F)cc2Cl)cc1OC 8428904 MSBLJTUHSQWWOH-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB CC(C)[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 9058143 HEQYLLSDPDVGEY-LBPRGKRZSA-N 316.426 3.775 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCc3ccccc32)c(C)c1 10752294 KRUJVMBPGWFCKH-KRWDZBQOSA-N 315.438 3.578 0 40 DHAB O=C(CN1CCCc2ccccc21)Nc1cccc2ncccc12 11725779 WQGDAZPUSGMWLX-UHFFFAOYSA-N 317.392 3.626 0 40 DHAB Cc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3C)n2)cc1 12274842 BVRWJPBWTKFTAY-UHFFFAOYSA-N 317.352 3.601 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)CSc1nccn1C 12569918 NTVYUXFMOYMBRT-LBPRGKRZSA-N 303.431 3.664 0 40 DHAB Cc1cccc(C)c1NC(=O)Cc1ccc(N2CCCC2=O)cc1 12755216 YTYUZPQUYMNLHE-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB COc1ccccc1CNC(=O)c1cc2cc(C)ccc2nc1C 12810951 JMYJWZYAYRRJRR-UHFFFAOYSA-N 320.392 3.790 0 40 DHAB CN(CCCNC(=O)c1ccc(Cl)s1)Cc1ccccc1 12854178 BDOYDVFEPWFTHP-UHFFFAOYSA-N 322.861 3.653 0 40 DHAB Cc1cccc2nc(CNC(=O)Nc3ccc(Cl)cc3)cn12 15913006 RKDOYNPJGNHVTR-UHFFFAOYSA-N 314.776 3.618 0 40 DHAB O=C(C1CCCCC1)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19014670 MPRALBKSKFUGEC-HNNXBMFYSA-N 317.433 3.623 0 40 DHAB CN(Cc1ccccc1)C(=O)c1ccc(F)cc1Br 19434720 FINCJZRAGYYZAM-UHFFFAOYSA-N 322.177 3.860 0 40 DHAB N[C@H](c1ccc(Cl)cc1)[P@](=O)(O)CCc1ccccc1 20533283 UKCIVEWGLUPHHP-HNNXBMFYSA-N 309.733 3.810 0 40 DHAB NC(=O)CN(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 27268898 SFTRJNDSSLRXNZ-UHFFFAOYSA-N 320.845 3.518 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 30863530 PWBUVHJXVPPRCJ-INIZCTEOSA-N 323.845 3.911 0 40 DHAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)Nc1ccccn1 32902569 NTAXAOSODPWIDT-RMKNXTFCSA-N 308.259 3.632 0 40 DHAB CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 32914310 JVQNIKPQRSIUNE-UHFFFAOYSA-N 315.348 3.608 0 40 DHAB CCc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)s1 32914528 UVUYHXHHCXTILQ-CQSZACIVSA-N 314.454 3.567 0 40 DHAB O=Cc1c(-c2cccc(Br)c2)nc2sccn12 39320384 KEEKSVXRGYOLQY-UHFFFAOYSA-N 307.172 3.638 0 40 DHAB CN(Cc1ccccc1)C(=O)/C=C/c1cccc2cccnc12 40040310 DMKKGPMYBZCJKD-OUKQBFOZSA-N 302.377 3.907 0 40 DHAB N[C@@H](CC(=O)O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 44216761 NALUAFBDJSUGSD-JTQLQIEISA-N 300.141 3.728 0 40 DHAB O=C(CCCSc1ccccc1)N(C[C@H]1CCOC1)C1CC1 44941075 KUOLAHZETKSSJU-OAHLLOKOSA-N 319.470 3.586 0 40 DHAB Cc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)no1 45954824 TUIKSODFGWMTAF-CQSZACIVSA-N 300.362 3.527 0 40 DHAB CCN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1 48286884 SMSPZZLTZYZTNL-HXUWFJFHSA-N 322.452 3.747 0 40 DHAB CC[C@H](C)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 58210955 ZRHPYMGWXDLKGI-NSHDSACASA-N 310.825 3.805 0 40 DHAB O=C1COc2ccc(-c3csc(-c4ccccc4O)n3)cc2N1 65514951 VAMZTPDKACLDJF-UHFFFAOYSA-N 324.361 3.514 0 40 DHAB Cc1noc(C)c1CCC(=O)N(CC(C)(C)C)CC(F)(F)F 71804231 ZNLZJVDLVFRTDL-UHFFFAOYSA-N 320.355 3.661 0 40 DHAB OCc1cc2ccccc2nc1N1CCC[C@H](C(F)(F)F)C1 71893808 FKZCCJSFFOJFKP-ZDUSSCGKSA-N 310.319 3.506 0 40 DHAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnc(Cc2ccccc2)o1 71911980 JMYNPIRIZRDSJX-OIISXLGYSA-N 311.429 3.813 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccs2)cc1 72221669 BWYJKVGQBFMXCF-HNNXBMFYSA-N 321.467 3.972 0 40 DHAB C[C@H](NS(=O)(=O)CC1CCCCC1)c1cc2ccccc2o1 72230434 YTVMCKAWTUHZBV-ZDUSSCGKSA-N 321.442 3.994 0 40 DHAB Cc1ccc(NC(=O)N(C[C@H](O)c2ccccc2)C2CC2)cc1 72289146 OSOHUDPRXCEJLB-SFHVURJKSA-N 310.397 3.725 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN(Cc1ccccc1)CC(F)F 72308845 KVBJSXZBRISBGO-HUUCEWRRSA-N 324.415 3.543 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2sc(C)nc2C(C)C)cc1 74629375 WVWQZXWJXYRXHX-UHFFFAOYSA-N 317.414 3.786 0 40 DHAB COc1cccc2cc(C(=O)Nc3ccc(N(C)C)cc3)oc12 75482235 HDRKFFWBBYBWRP-UHFFFAOYSA-N 310.353 3.760 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 78883131 MBQUHLSRVOYWDI-OLZOCXBDSA-N 323.318 3.788 0 40 DHAB O=C(Nc1ccc(Cl)cc1Cl)N(CCCCO)C1CC1 79001669 MZDSPIYXBCMOHL-UHFFFAOYSA-N 317.216 3.762 0 40 DHAB CCOc1nc(N[C@@H](C)c2ccccc2)ncc1Br 79092054 ALSRJCOCUQTWML-JTQLQIEISA-N 322.206 3.811 0 40 DHAB C[C@H](Nc1cncc(-n2cccn2)n1)c1cc2ccccc2o1 84647709 NGZDKZCQHRKYLZ-LBPRGKRZSA-N 305.341 3.582 0 40 DHAB C[C@@H](Nc1cncc(-n2cccn2)n1)c1cc2ccccc2o1 84647712 NGZDKZCQHRKYLZ-GFCCVEGCSA-N 305.341 3.582 0 40 DHAB C[C@H](c1ccc(Br)cc1)N1CCC[C@@](C)(CO)C1 84651510 QMOGJVSNJZOYSB-IUODEOHRSA-N 312.251 3.605 0 40 DHAB CC(C)c1cc(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)on1 86398885 LPYHWDOGJVBUKD-LBPRGKRZSA-N 317.389 3.826 0 40 DHAB CCO[C@H]1C[C@@H](Nc2ccc(NC(=O)CC)cc2)C12CCC2 95961153 MTMRVEGUKIDVNP-CVEARBPZSA-N 302.418 3.795 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1C(C)C 95981247 SUQOARDAWXZKJD-RYUDHWBXSA-N 304.434 3.767 0 40 DHAB FC(F)(F)c1ccc(NCc2ncc(-c3ccccc3)o2)nn1 95981505 GNHGRSHNZGRFKY-UHFFFAOYSA-N 320.274 3.763 0 40 DHAB O=C(Cc1ccc(OCC(F)(F)F)cc1)OC1CCCC1 96007213 LZIBAYXUERGFSN-UHFFFAOYSA-N 302.292 3.656 0 40 DHAB Cc1noc(C)c1NC(=O)NC[C@@H](C)Oc1ccccc1Cl 96434395 BAVYLZYTZJUDFX-SECBINFHSA-N 323.780 3.534 0 40 DHAB O=C(CSCc1ccccc1Cl)N[C@H]1C[C@@H]2CC[C@@H]1C2 100630252 SVRBVAGZOMOUJS-JMSVASOKSA-N 309.862 3.878 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1cc(C)cc(C)c1 101348394 RHXHSCUGGVRTNN-QGZVFWFLSA-N 306.365 3.525 0 40 DHAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2nccs2)C1 109053385 QNNHGDRLJTXSDH-MRXNPFEDSA-N 312.438 3.652 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)N1[C@H]2C=CC[C@H]1CC2 208024606 HVQWJCBQVKXSPF-RYUDHWBXSA-N 312.196 3.692 0 40 DHAB COc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225102859 HABWQXWNTNAMNE-LJQANCHMSA-N 322.360 3.923 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 226349541 GJGPPQOGTUEOEU-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB CCN(CC)C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccsc1 226783054 SGEIHSKUUWOXAH-CQSZACIVSA-N 317.414 3.954 0 40 DHAB CC[C@H]1C[C@H](Cc2nc(COc3ccccc3F)no2)CCO1 252507467 WMNIBLFOTYPBFB-OLZOCXBDSA-N 320.364 3.535 0 40 DHAB O=C1Oc2ccccc2C[C@@H]1/C=C/c1cc2ccccc2oc1=O 255190823 ZTPSTIYHFTYIFZ-SCOAYWHSSA-N 318.328 3.584 0 40 DHAB O=C(O)c1cn(Cc2cccc3ccccc23)nc1C(F)F 408717702 OZEYLQYALOEXGQ-UHFFFAOYSA-N 302.280 3.720 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1 409147057 MFEWVOCVGPBKPP-LBPRGKRZSA-N 310.825 3.611 0 40 DHAB CSc1ccc([C@@H](O)CNc2cc(C3CCC3)ncn2)cc1 1775972530 JLHKGTHLHSKOMC-INIZCTEOSA-N 315.442 3.612 0 40 DHAB CCOC(=O)C1=C(c2ccccc2)ON(C)[C@@H]1c1ccccc1 347984 PLPYXFSFLOKFPT-QGZVFWFLSA-N 309.365 3.579 0 40 DHAB C[C@H]1CCCN(c2nc(-c3ccccn3)nc3ccccc23)C1 531652 RWTQDIWOBRFEIC-AWEZNQCLSA-N 304.397 3.928 0 40 DHAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)cc1 531770 RZHBFOVSZPPSGC-IRXDYDNUSA-N 324.359 3.572 0 40 DHAB CCc1nnc(NC(=O)c2csc3c2CC[C@H](CC)C3)s1 538882 CNDHSXLKDLKUSD-VIFPVBQESA-N 321.471 3.929 0 40 DHAB Cc1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 571728 QEQKJYMKJVWEOR-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB CCn1c(=S)[nH]c2c(c1=O)[C@@](C)(CC)Cc1ccccc1-2 1261846 UCYZWXGTKPVCPE-KRWDZBQOSA-N 300.427 3.817 0 40 DHAB Clc1ccc(CNc2nnc3n2CCCCC3)cc1Cl 1468071 VZAPRBPTLJNOCY-UHFFFAOYSA-N 311.216 3.923 0 40 DHAB C[C@H](C(=O)c1ccc(Cl)cc1)[C@H]1OC(=O)C(Cl)=C1Cl 1622422 BAHJXRKPPQZQDT-SREIQFSDSA-N 319.571 3.773 0 40 DHAB Cc1cccc(C(=O)[C@@](O)(c2ccccc2)[C@H]2CCCCC2=O)c1 1731607 LDNHSKULSWUSNY-GHTZIAJQSA-N 322.404 3.825 0 40 DHAB CCCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 1800722 FCHPEBQAIOOVEY-UHFFFAOYSA-N 315.325 3.570 0 40 DHAB O=C1OCCN1P(=O)(Oc1ccccc1)Oc1ccccc1 2292669 BAIVESRDQVZKDB-UHFFFAOYSA-N 319.253 3.705 0 40 DHAB COc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1 3608336 PCFROJDIBIKVFV-UHFFFAOYSA-N 323.314 3.687 0 40 DHAB CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)cc1 4652243 ASPCYJVMDPAVEH-OHFALNGGSA-N 313.397 3.662 0 40 DHAB CCCCOc1cc(Br)c(CNCC)cc1OC 4670853 QQNRSKBNEPSOKN-UHFFFAOYSA-N 316.239 3.746 0 40 DHAB CC(C)C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 5219389 YRXJELRNAAJWSX-JTQLQIEISA-N 319.188 3.614 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)c(O)c1 6454120 FQDIOAQNLCIWNI-UHFFFAOYSA-N 311.381 3.919 0 40 DHAB 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40 DHAB C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCO2 65586740 FCYSJNTXPBNHDZ-GFCCVEGCSA-N 315.335 3.605 0 40 DHAB O=C(NC1(c2ccc(Cl)cc2)CCCC1)C1CCOCC1 65610085 MRYIWRYQVMNRTG-UHFFFAOYSA-N 307.821 3.652 0 40 DHAB CC1(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CCCC1 71914435 MNDFDIMLUKYHSN-QGZVFWFLSA-N 319.420 3.678 0 40 DHAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(-c2cncnc2)cc1 73250476 QKFUZQVRMYNEJU-WMLDXEAASA-N 307.397 3.677 0 40 DHAB Cc1nnc(CN2CCCCC[C@H]2/C=C/c2cccs2)o1 96008644 PJDYTZAEYUFKJF-VFNNOXKTSA-N 303.431 3.898 0 40 DHAB C[C@@]12CCC[C@@]3(COC1=O)[C@H]1CC[C@@H]4C[C@@]1(CC[C@H]23)C[C@@]4(C)O 100058724 KLMZPLYXGZZBCX-RHOPFKAGSA-N 318.457 3.687 0 40 DHAB biogenic Cc1ccc2c(c1)s/c(=N/C(=O)c1c(F)cccc1F)n2C 100812573 SJPOCGHYSRATKG-KNTRCKAVSA-N 318.348 3.568 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCCCCC1)C2 104489006 XSERORFSPSIMSS-AJYBTWMASA-N 323.521 3.845 0 40 DHAB O=C(O)/C(=C/c1ccc(O)cc1)Sc1nc2ccccc2o1 208842012 CFASDYNSOLIQQG-ZROIWOOFSA-N 313.334 3.751 0 40 DHAB Cc1ncccc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219525437 LVYZYBZSPYJPFA-OAHLLOKOSA-N 318.467 3.772 0 40 DHAB Cc1cccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(=O)oc12 226034252 CGQUQXGDOKXFEY-ZDUSSCGKSA-N 307.349 3.592 0 40 DHAB CC[C@H]1c2ccccc2CCN1C(=O)c1ncccc1Cl 585085739 JQJBGXCJXMOBEX-HNNXBMFYSA-N 300.789 3.885 0 40 DHAB CCc1nccn1CC1CN(Cc2ccc(Cl)c(Cl)c2)C1 2086889117 BMYUWLAXKVHLMH-UHFFFAOYSA-N 324.255 3.884 0 40 DHAB c1csc(OC2CCN(c3nccc4sccc34)CC2)n1 2086889118 BQYBZRYVBINWNK-UHFFFAOYSA-N 317.439 3.801 0 40 DHAB O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc2ccccc2c1 102262 WBIAYYHZLRKPOM-JKSUJKDBSA-N 311.768 3.862 0 40 DHAB Cc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)c(Cl)c1 521777 NMOUAKBLJDIWRK-UHFFFAOYSA-N 314.724 3.974 0 40 DHAB Cc1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ccccc12 1391352 WTLABWYZVQUZGJ-UHFFFAOYSA-N 320.270 3.593 0 40 DHAB Cc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 2639652 IJZFDEQSYAXLDT-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB Cc1cc(C(F)(F)F)nc2nn3c(-c4ccco4)ccnc3c12 2787913 YUHNAOBVMRHJGK-UHFFFAOYSA-N 318.258 3.865 0 40 DHAB C[C@H](Cc1ccccc1)NCCCN[C@H](C)Cc1ccccc1 3058779 XDCNUKURGSLYKZ-RTBURBONSA-N 310.485 3.818 0 40 DHAB FC(F)(F)c1cnc(-c2noc(C(F)(F)F)n2)c(Cl)c1 3133146 PSUFNUYKFNHDRY-UHFFFAOYSA-N 317.576 3.823 0 40 DHAB Cc1ccc(Br)c(N2C(=O)c3ccccc3C2=O)c1 3157518 JKABEFDJIFQKJK-UHFFFAOYSA-N 316.154 3.558 0 40 DHAB CCOC(=O)c1c2ccc(c1[C@@H](O)OCC)CCCCCC2 3852393 WBEAYVNQKNIELW-KRWDZBQOSA-N 306.402 3.550 0 40 DHAB biogenic O=C(O)[C@H]1CC(c2ccc(F)cc2)=Nc2ccccc2S1 4137240 HYRNGOMMJVNASV-OAHLLOKOSA-N 301.342 3.896 0 40 DHAB COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@](C)(O)[C@@H]2O)C1 4758554 JDNSLVADAHWSEE-NADOGSGZSA-N 318.457 3.565 0 40 DHAB in-vitro Cc1ccccc1-c1nnc(SCc2c(C)noc2C)n1C 5209658 RCWXJWBMRNENKG-UHFFFAOYSA-N 314.414 3.688 0 40 DHAB COC(=O)c1ccsc1NC(=O)c1ccccc1SC 5222486 PUNZWEMMIZQWGC-UHFFFAOYSA-N 307.396 3.509 0 40 DHAB Fc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1 5410618 HWSUOVMJNAGIHB-UHFFFAOYSA-N 317.433 3.861 0 40 DHAB C[C@]1(O)c2ccccc2N[C@@]12C[C@]1(C)Nc3ccccc3[C@@]1(C)O2 5486915 RTQHPAOPTVJQGO-VNTMZGSJSA-N 322.408 3.536 0 40 DHAB O=C1O[C@H](CC(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl 5813511 LQYBKXDTOSRFSI-SECBINFHSA-N 305.544 3.527 0 40 DHAB CCc1c(C)sc(NC(=O)CCC2CCCC2)c1C(N)=O 6122937 LTEZLQJLFHRKCA-UHFFFAOYSA-N 308.447 3.627 0 40 DHAB Cc1ccc(C(=O)Sc2n[nH]c(-c3cccs3)n2)cc1 6404512 COQJMTMIUSMYSY-UHFFFAOYSA-N 301.396 3.774 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2nonc2-c2cccs2)cc1 6755243 ARMUOQAMUPZJIK-CMDGGOBGSA-N 311.366 3.758 0 40 DHAB Cc1ccc(CNc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1 6914990 HKMNUAPKUUZOMU-UHFFFAOYSA-N 319.408 3.770 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(C)nc3c2)c1 7036602 MYRXQMVDGKHTHU-UHFFFAOYSA-N 310.353 3.771 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSC(C)(C)C 8041229 VRHKNWPBYVKHBX-HNNXBMFYSA-N 309.475 3.800 0 40 DHAB O=C(NCCCCc1ccccc1)c1cc(=O)c2ccccc2o1 9058010 IYHYSFRGKILAIN-UHFFFAOYSA-N 321.376 3.546 0 40 DHAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccco1 9827847 GAKRKSLUZRCGMM-UHFFFAOYSA-N 320.304 3.890 0 40 DHAB C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccn1 12516182 OJZKIFOGHPTZEM-SNVBAGLBSA-N 309.196 3.808 0 40 DHAB O=C(Cc1cccs1)Nc1cc2c(cc1Cl)OCCCO2 12798310 XWQRPRFWXIQIMS-UHFFFAOYSA-N 323.801 3.744 0 40 DHAB Cc1ccccc1-c1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 13322575 DWKWOUORGYJLMO-ZIAGYGMSSA-N 302.443 3.728 0 40 DHAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)C2CCCC2)c(C)c1 14228772 AKURGNWJNSUVLF-AWEZNQCLSA-N 303.402 3.672 0 40 DHAB O=C(/C=C/c1ccsc1)OCc1ccc(-n2cccn2)cc1 16685518 GRAJZZTVBZCUDJ-QPJJXVBHSA-N 310.378 3.690 0 40 DHAB Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1ccco1)C2 17032083 IKSKTYLJVGYCRP-LBPRGKRZSA-N 310.328 3.826 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736521 VCDUMSWYSKSKSQ-UHFFFAOYSA-N 304.777 3.962 0 40 DHAB O=C(CCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 24613307 KIHYFWNFJGSCMI-UHFFFAOYSA-N 317.772 3.683 0 40 DHAB Cc1cc(COc2cc3oc(=O)cc(C)c3cc2Cl)on1 25402613 TVVYGQCGTIIUQO-UHFFFAOYSA-N 305.717 3.630 0 40 DHAB Cc1[nH]c2ccc(C(=O)N3CCn4cccc4[C@@H]3C)cc2c1C 29378145 WBMFRWPNWXKTEC-AWEZNQCLSA-N 307.397 3.803 0 40 DHAB FC(F)(F)c1ccnc(N2CC=C(c3ccccc3)CC2)n1 29525178 JLZSPXIPSKYPRO-UHFFFAOYSA-N 305.303 3.789 0 40 DHAB CC(C)(C(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1 29986741 OKQXHFRAHPYXMT-UHFFFAOYSA-N 321.424 3.590 0 40 DHAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccc1 30882603 MOVKPIVXPBEHQE-FHWLQOOXSA-N 315.457 3.540 0 40 DHAB biogenic,in-vitro CC(C)C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 32350354 PFECIIXPCNIQRC-KRWDZBQOSA-N 307.397 3.619 0 40 DHAB COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@H]2C)cc1 36056059 HHWGKKRJFHZDRY-KEYYUXOJSA-N 304.434 3.581 0 40 DHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC3CCCC3)cc2)C1 38832519 DUNYDOJBLZJIJJ-OAHLLOKOSA-N 300.446 3.591 0 40 DHAB Fc1ccc(OCCSc2nncc3ccccc23)cc1 40057578 ZDSBOZGNXQDJKX-UHFFFAOYSA-N 300.358 3.940 0 40 DHAB Cc1nc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cs1 42118128 UKBFSKVBYIRKOD-UHFFFAOYSA-N 322.433 3.977 0 40 DHAB O=C(O)c1ccc(-c2ccc(Cl)cc2)nc1N1CCCC1 49911609 FRYJFFOJZDSZGY-UHFFFAOYSA-N 302.761 3.700 0 40 DHAB COc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1F 51315692 MPBWFPXLLMGVMP-UHFFFAOYSA-N 317.345 3.538 0 40 DHAB CC(C)(C)c1nnc(CN2CCC[C@@H]2Cc2ccc(F)cc2)o1 56304801 UMCMIIDMYWANQR-OAHLLOKOSA-N 317.408 3.713 0 40 DHAB Cc1cc(Br)c2nc(-c3ccc(N)cc3)[nH]c2c1 62152880 XKFYJOXPCSOHDY-UHFFFAOYSA-N 302.175 3.883 0 40 DHAB CC(C)Sc1ncccc1C(=O)N[C@@H](C)Cc1ccco1 65551901 ICZUWXDZEPZRPN-LBPRGKRZSA-N 304.415 3.536 0 40 DHAB CCCCc1cc(NC(=O)Cc2csc(C(C)C)n2)[nH]n1 69306519 GZOJEDDOZMQAMW-UHFFFAOYSA-N 306.435 3.513 0 40 DHAB Cc1nc(-c2ccsc2)sc1C(=O)OCC(F)(F)F 69453617 FXKCGXDSDMWJOY-UHFFFAOYSA-N 307.318 3.899 0 40 DHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C)cc2)cc1 71768902 FQJHIBDHQLMBAZ-UHFFFAOYSA-N 319.408 3.878 0 40 DHAB CCc1nnc([C@H](C)Sc2nccn2-c2cccc(F)c2)o1 71893932 HHIYONKLCFHENR-JTQLQIEISA-N 318.377 3.810 0 40 DHAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccc(F)cc2)C1 72404334 HCWRECDLBYBXSY-CQSZACIVSA-N 311.316 3.787 0 40 DHAB Cc1nn(-c2ccccc2)c2c1[C@@H]1c3ccccc3OC[C@@H]1CO2 75149070 YTTQVUATZFHJTL-KUHUBIRLSA-N 318.376 3.714 0 40 DHAB CN(CCO)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 77673063 JXBNTGBEMDRCHH-UHFFFAOYSA-N 320.776 3.588 0 40 DHAB Cc1cncc(C(=O)N(CCC(F)(F)F)C2CCCC2)c1 84101576 RQXCYUJKEPBBCK-UHFFFAOYSA-N 300.324 3.727 0 40 DHAB Cc1cc(N(C)Cc2nccn2C(F)F)c2ccccc2n1 89583021 RBYXIALCKUARNP-UHFFFAOYSA-N 302.328 3.771 0 40 DHAB CC[C@@H]1CO[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96073335 MAEKYJWTIMGVQV-MGPUTAFESA-N 324.424 3.656 0 40 DHAB CCCN(CCC)C[C@H](O)CO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213689 WLHJRBJPHRKJAX-DWRORGKVSA-N 311.510 3.701 0 40 DHAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1ccccc1F 107323592 DKCVQELSOUAMGS-LBTNJELSSA-N 318.436 3.513 0 40 DHAB COc1ccc(C[S@](=O)CCc2cccs2)c(Cl)c1 195579406 ZJYYPVNCFCRCOA-LJQANCHMSA-N 314.859 3.902 0 40 DHAB O=C(NCC[C@@H](CCO)c1ccccc1)c1cc2ccccc2o1 206625197 YTYHJGRRDPFZMZ-INIZCTEOSA-N 323.392 3.719 0 40 DHAB O=C(COc1cccc2c1CCCC2)NC1CCCCCC1 224999257 SPERNDVKJJFZCC-UHFFFAOYSA-N 301.430 3.783 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225611148 SAPRNJIRHVKXJE-ZDUSSCGKSA-N 321.417 3.736 0 40 DHAB Cc1cccnc1NC(=S)NC1(c2ccccn2)CCCC1 225872040 DALODCDKFBZDOY-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB NC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 226322032 LTIIZMRCHCUVMF-UHFFFAOYSA-N 314.143 3.810 0 40 DHAB CCc1nc(C)c(NC(=O)c2ccncc2C(F)(F)F)s1 252484059 FNDGHIVQVHQJBA-UHFFFAOYSA-N 315.320 3.680 0 40 DHAB CN(CCCOCc1ccccc1)C(=O)Nc1ccsc1 281367591 MMFWJVKLTYDLAR-UHFFFAOYSA-N 304.415 3.819 0 40 DHAB O=C(Nc1nc(C2CCC2)cs1)NC1Cc2ccccc2C1 571245774 XHUIBXOCJBIZEL-UHFFFAOYSA-N 313.426 3.700 0 40 DHAB CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(C)cc1 1191781044 ZQITZMSLWWNUQC-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB C[C@@H](c1ccccc1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888856583 BJGATPBJKFLGMA-ZDUSSCGKSA-N 317.820 3.734 0 40 DHAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)/C3=C\c1ccccc1 34776 JQYQJGSOIGYJAS-UVTDQMKNSA-N 304.301 3.561 0 40 DHAB CC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 132232 RUTVUBFQAAQPFG-WPRPVWTQSA-N 306.456 3.886 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2cccc(C)c2C)c1Cl 385500 BVUCUGKIOWSHCW-UHFFFAOYSA-N 305.809 3.895 0 40 DHAB CC1(C)[C@]2(C(=O)Nc3cccc4cccnc34)CC[C@@]1(C)C(=O)C2 460238 VJMCVXHADRXLPU-VQTJNVASSA-N 322.408 3.959 0 40 DHAB O=c1oc2ccc(Cl)cc2cc1-c1ccc2c(c1)OCO2 517311 YWTFKYJPTGAJNX-UHFFFAOYSA-N 300.697 3.842 0 40 DHAB biogenic Cc1c([C@@H](CC(=O)c2ccccc2)C(=O)O)c2ccccc2n1C 2048205 XGUUQXUGNXOCLX-MRXNPFEDSA-N 321.376 3.928 0 40 DHAB CCCCc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)O)cc1 2421525 WHKBUPRGAZEQFH-HNNXBMFYSA-N 306.406 3.650 0 40 DHAB CC[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3306513 OFNXKWNSFVCNNF-NSHDSACASA-N 313.426 3.924 0 40 DHAB CC(=O)Nc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 3398250 FFZNXOQYQJJSLB-UHFFFAOYSA-N 320.392 3.575 0 40 DHAB CC(C)(C)Nc1nc2nonc2nc1Nc1ccc(Cl)cc1 4016832 CXBNFQJLAUJLHH-UHFFFAOYSA-N 318.768 3.620 0 40 DHAB Cc1ccc(CSC2=NCCN2C(=O)C2CCCC2)cc1 4120346 ZWYUCVOMQHDSFF-UHFFFAOYSA-N 302.443 3.617 0 40 DHAB O=C(Nc1ncnc2sccc12)c1ccc2c(c1)CCCC2 5299451 QVXDSFCCAUJDGJ-UHFFFAOYSA-N 309.394 3.822 0 40 DHAB C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(F)cc1 5938039 SAUNMHLPABEXJE-SSDOTTSWSA-N 315.241 3.873 0 40 DHAB CCCCO[P@@](C)(=O)OC[C@@H]1CCCN2CCCC[C@H]12 6397672 MHYQTYYTGDIMIE-BXTJHSDWSA-N 303.383 3.907 0 40 DHAB C[C@H]1c2ccsc2CCN1C(=O)COc1ccccc1Cl 7829693 OMFJBISMWUROTR-NSHDSACASA-N 321.829 3.926 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1F 8015214 LITCZZNUKHHOMI-FNORWQNLSA-N 319.719 3.860 0 40 DHAB CC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 8235654 SSOBCAHBKSBCSL-UHFFFAOYSA-N 311.410 3.739 0 40 DHAB Cc1nn([C@@H](C)CC(=O)n2cnc3ccccc32)c(C)c1Cl 8714514 YVYYPYAKYHQZCV-JTQLQIEISA-N 316.792 3.795 0 40 DHAB COc1ccc(C)cc1CN(C)C(=O)Nc1ccccc1F 9112789 GQANEJBJPZILPG-UHFFFAOYSA-N 302.349 3.807 0 40 DHAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](C)C3 9225388 FZVAPLWWYCCZCR-JTQLQIEISA-N 309.344 3.609 0 40 DHAB O=C(NCc1cccc(Cl)c1)N1CCc2sccc2C1 9710605 HOTQFGQAMWAZIG-UHFFFAOYSA-N 306.818 3.669 0 40 DHAB COc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 11058686 FNQSHMNKWOWOBL-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB Cn1ccnc1Sc1ncnc2sc3c(c12)CCCCC3 12507726 JOJOJVOIOCOXDG-UHFFFAOYSA-N 316.455 3.845 0 40 DHAB CSCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)oc2ccccc12 12602179 PAPKODLNGNVSEY-TXEJJXNPSA-N 319.426 3.545 0 40 DHAB CSc1cccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 12983124 IEGIQLAQMUXCCP-UHFFFAOYSA-N 312.394 3.546 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 14239880 KVRLSIIBIWPNDN-OAHLLOKOSA-N 317.385 3.801 0 40 DHAB COc1ccc(-c2cc(C)c3ccccc3n2)cc1CC(=O)O 15453981 PBCVIMWSVGNZGS-UHFFFAOYSA-N 307.349 3.846 0 40 DHAB COc1ccccc1NC(=O)NCCSCc1ccccc1 18173956 RBSLDCNJALLQIN-UHFFFAOYSA-N 316.426 3.750 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)O)c(Cl)c1 20137129 NHZUSNRXPWXWLL-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB c1cc(-c2ccn(CCN3CCCC3)n2)cc(-c2nccs2)c1 20322136 YNHOPGWQFRBSEX-UHFFFAOYSA-N 324.453 3.769 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 20494627 PSUBNQUFPHVFCU-INIZCTEOSA-N 323.845 3.911 0 40 DHAB Cc1ccc(CNC(=O)c2cc(Cl)sc2Cl)n1C 23575188 SOALFEHQXVCTQD-UHFFFAOYSA-N 303.214 3.632 0 40 DHAB CC(=O)c1ccc(NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 24213032 LAKGZXAQLGFECP-HNNXBMFYSA-N 324.424 3.795 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(-n2cccn2)cc1 24587148 ZDBGZYINHVQOLP-UHFFFAOYSA-N 307.353 3.523 0 40 DHAB Cc1occc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 25066151 ISXFNEWGELXJGS-UHFFFAOYSA-N 300.358 3.825 0 40 DHAB CSc1ccccc1C(=O)NC[C@H](c1ccsc1)N(C)C 25329184 AZYCZCFSABPKHQ-CQSZACIVSA-N 320.483 3.503 0 40 DHAB Cc1ccc(C)c(NC(=O)N2C(=O)CSc3ccccc32)c1 28527656 MOHJBMRCRFWQFH-UHFFFAOYSA-N 312.394 3.974 0 40 DHAB CCCNS(=O)(=O)c1cc(C(C)C)c(C)cc1OCCC 32601805 CCNFOLMJTQUDKP-UHFFFAOYSA-N 313.463 3.596 0 40 DHAB CCCN1CCCc2cc(CCNC(=O)CC(C)(C)C)ccc21 35588089 YQUZEEYSYHSLRI-UHFFFAOYSA-N 316.489 3.944 0 40 DHAB COc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 36392455 LJQUSEPGIKAFDU-UHFFFAOYSA-N 306.365 3.667 0 40 DHAB Clc1cc(CNCc2cccs2)cc2c1OCCCO2 37301274 UUVXEPJMWGBBOJ-UHFFFAOYSA-N 309.818 3.853 0 40 DHAB CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)c3cccs3)C2)n1 41122608 FANSAYKBMSBJSJ-VXGBXAGGSA-N 319.430 3.664 0 40 DHAB CCCN(Cc1ccsc1)C(=O)[C@@H](C)Oc1ccccc1 44447131 JJWPYELCMFWICP-CQSZACIVSA-N 303.427 3.954 0 40 DHAB CCc1cc2c(=O)n(Cc3ccc(Cl)s3)cnc2s1 47835181 OEJMRBCLGJZDTC-UHFFFAOYSA-N 310.831 3.784 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2ccsc2)cc1OC 48343237 DVZRPLCQZCSHTO-CQSZACIVSA-N 317.410 3.743 0 40 DHAB COc1ccc(CN(C)C(=O)N[C@H](C)Cc2ccsc2)cc1 50167803 GGPFSQXPFYNEJU-CYBMUJFWSA-N 318.442 3.529 0 40 DHAB Cn1ccnc1-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 55454353 YDIPWVUSONCUIW-UHFFFAOYSA-N 324.409 3.559 0 40 DHAB CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 58183293 WAJMXFRMRUIJBO-QGZVFWFLSA-N 315.461 3.662 0 40 DHAB Cn1cc([C@H]2C[C@@H]2C(=O)Oc2ccc(-c3ccccc3)cc2)cn1 69148369 MEUKTRUBRBVPNB-MOPGFXCFSA-N 318.376 3.796 0 40 DHAB CCCN(Cc1cnn(C)c1)C(=O)Nc1cccc(Cl)c1 69772531 FMIAFEHWCGKEGZ-UHFFFAOYSA-N 306.797 3.518 0 40 DHAB COc1ccccc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 71831366 DCMSLASSYNIYTB-OAHLLOKOSA-N 324.424 3.673 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(F)ccc2F)s1 71883144 RWQQAXXEUUGSBQ-VIFPVBQESA-N 310.369 3.871 0 40 DHAB CN(Cc1ccc2[nH]ccc2c1)Cc1cnn(-c2ccccc2)c1 72134621 HAYGXXIKPLGIHH-UHFFFAOYSA-N 316.408 3.986 0 40 DHAB COCCCCC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 78190977 LOMLKLCHHSZOKT-CYBMUJFWSA-N 323.742 3.876 0 40 DHAB Cc1nnc(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)s1 78753985 DDPBEYYXEQEQKI-ZDUSSCGKSA-N 321.471 3.626 0 40 DHAB CC(C)(C)OC(=O)N1CCC(SCc2ccccn2)CC1 79440901 NGEAJIYTSRFUGX-UHFFFAOYSA-N 308.447 3.714 0 40 DHAB Cc1noc(C)c1COC(=O)c1ccc(OC2CCCC2)cc1 84025338 DYWVTDDXVRJYQB-UHFFFAOYSA-N 315.369 3.970 0 40 DHAB Fc1cnc(Cl)nc1Oc1cccc(Br)c1 85754773 AUSRLWDVLHKXGE-UHFFFAOYSA-N 303.518 3.824 0 40 DHAB O=C(Nc1cc(-c2ccccc2)ns1)c1cnc2n1CCCC2 89851141 ZRRUWXTUSICBPR-UHFFFAOYSA-N 324.409 3.595 0 40 DHAB Cc1cc2ccccc2nc1NCCCOC1CCOCC1 95426291 XBHLLXBNNQKHLO-UHFFFAOYSA-N 300.402 3.541 0 40 DHAB COc1ccc([C@H](NC(=O)N2CC[C@@H](C)[C@@H]2C)C2CC2)cc1 95963559 MEUAZUNYMFFOFQ-IIYDPXPESA-N 302.418 3.586 0 40 DHAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(Br)c1 100991283 KAPLUGSDFTUCTG-NQBHXWOUSA-N 308.219 3.615 0 40 DHAB O=C(O[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cc2cc(Cl)ccc2oc1=O 102202189 WFNNBYMHFRVTAR-IQMDTDKHSA-N 318.756 3.792 0 40 DHAB CCOc1ncccc1-c1nnc(-c2cccc(Cl)c2)o1 216608148 MYYYZQGSYWXRJZ-UHFFFAOYSA-N 301.733 3.851 0 40 DHAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(OC)cc1 224155177 CPPBJCUTNSNDBL-GJZGRUSLSA-N 307.434 3.795 0 40 DHAB CC1(C)COc2ccc([C@@H](O)c3ccc(F)cc3)cc2OC1 225356375 DSSMLVUCDAMPKE-KRWDZBQOSA-N 302.345 3.705 0 40 DHAB CCOc1ccc(NC(=O)C(C)(C)OCC)cc1C(F)(F)F 225813578 QZWWCULVQYCSIZ-UHFFFAOYSA-N 319.323 3.858 0 40 DHAB COc1ccc(NC(=S)NCc2ccccc2F)cc1Cl 225835406 QQZGFVFGRSXELO-UHFFFAOYSA-N 324.808 3.974 0 40 DHAB O=C(NCCCc1ccccc1)c1ccc2oc(Cl)nc2c1 225977148 BSGJPJNJBQEXLJ-UHFFFAOYSA-N 314.772 3.844 0 40 DHAB Nc1ccc(N2CCCCC2)c(NC(=O)c2cccc(F)c2)c1 226255004 GTZLSERWUPWVLA-UHFFFAOYSA-N 313.376 3.651 0 40 DHAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N 226349743 QDUIIFSGNSLAQM-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Fc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2Cc2cccnc2)cc1 247521254 LPXOVGUCSUIEGK-IEZWGBDMSA-N 312.388 3.653 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)c1ccc(OC)cc1 306145787 QDUSEDSQALMCSO-LBPRGKRZSA-N 324.260 3.588 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 409008896 AAXLAPLPCRQRTM-ZECSTPGPSA-N 305.399 3.838 0 40 DHAB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1C1CC1 409145783 QYKZRDVVSQMMDS-ZSOIEALJSA-N 304.415 3.885 0 40 DHAB CCN(CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 1563812540 OJMWNEKBOUJQRM-ARFHVFGLSA-N 311.514 3.573 0 40 DHAB COc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1OC 187715 WBOBDUZFFVDFJJ-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 222034 FZGCRWCWZAPWNW-DLBZAZTESA-N 324.359 3.572 0 40 DHAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1cccnc1 422563 CPVXCYQYEJSULW-UHFFFAOYSA-N 316.817 3.823 0 40 DHAB Cc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 581104 YWRZBNUYYNZRND-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB Cn1nc(OC(=O)Nc2cccc(Cl)c2)cc1C(F)(F)F 1393833 SWCWGAAUQMVJBL-UHFFFAOYSA-N 319.670 3.703 0 40 DHAB CCOc1ccc(C(=O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 1615835 OUMMMKBAYVZVQE-HOTGVXAUSA-N 301.430 3.780 0 40 DHAB COc1cc2c(cc1NC(=O)c1cnn(C)c1)oc1ccccc12 2767237 SJNOGDIZNFSBTP-UHFFFAOYSA-N 321.336 3.580 0 40 DHAB COc1ccc2[nH]c(C)c(C(=O)CN(C)C3CCCCC3)c2c1 5093010 ZDGXQPBZOMLXBM-UHFFFAOYSA-N 314.429 3.932 0 40 DHAB COc1ccccc1CNC(=O)Nc1cn(C)c2ccccc12 5265702 BRXNKEFURGJVTE-UHFFFAOYSA-N 309.369 3.509 0 40 DHAB COc1ccccc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 5384480 AYGWQJRBKSGCDN-UHFFFAOYSA-N 313.353 3.513 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)cc1 5396788 SSNWVKVJDKLQSY-UHFFFAOYSA-N 310.784 3.920 0 40 DHAB COc1cccc(-c2nc(CCNC(=O)C(C)(C)C)cs2)c1 5451329 QEHUBXRXKZSEKA-UHFFFAOYSA-N 318.442 3.524 0 40 DHAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)s1 6858682 SNSCETRSXPPXIM-UHFFFAOYSA-N 324.814 3.751 0 40 DHAB in-vivo Cc1ccc(C)c(NC(=O)c2cnn(Cc3ccccc3)c2)c1 7068989 FYDDQXDYOMPMAG-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB C[C@H](NC(=O)COc1ccc(F)cc1)c1cc2ccccc2o1 7890103 XQZZWDOTXLPCKB-LBPRGKRZSA-N 313.328 3.828 0 40 DHAB COc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cn1 8017673 AYZRFJIXIXUVJQ-UHFFFAOYSA-N 324.336 3.515 0 40 DHAB CC[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1 8162390 CZIUKQWZMQUWLZ-QGZVFWFLSA-N 301.361 3.780 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 8395060 QNNSEJBCUBDGNX-UHFFFAOYSA-N 305.299 3.837 0 40 DHAB CCN1CCC(Nc2nc(C(F)(F)F)nc3ccccc23)CC1 8761933 TWNVTLRRSIEUDA-UHFFFAOYSA-N 324.350 3.545 0 40 DHAB Cc1ccc(CC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 9988340 MJHGPYVFLLYTGT-UHFFFAOYSA-N 321.420 3.659 0 40 DHAB CN(C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1 10328208 VBJZIFQVVPNNAX-HXUWFJFHSA-N 318.420 3.873 0 40 DHAB CCOC(=O)c1cc(Cl)c(NC(=O)C(C)(C)C)cc1OC 11902736 GUWQLPQXXFMJQP-UHFFFAOYSA-N 313.781 3.510 0 40 DHAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(C2CC2)c1C 12372552 CIJNWLUFCVDALZ-UHFFFAOYSA-N 324.833 3.508 0 40 DHAB COc1cccc([C@H](CNc2nc3ccccc3o2)N(C)C)c1 12774888 BDWOYWDOAQUQSF-INIZCTEOSA-N 311.385 3.551 0 40 DHAB Cc1cccc(OCCN(C)C(=O)c2cc3ccccc3o2)c1 12876441 KXKGYEVZKVEBPN-UHFFFAOYSA-N 309.365 3.892 0 40 DHAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc(-c2ccccc2)cc1 12945752 RSNFTEIWHNKSNE-AWEZNQCLSA-N 318.376 3.533 0 40 DHAB O=C(NCCCOc1ccccc1)[C@H]1CCCc2ccccc21 13023867 VYCZWJXUUOWOGD-IBGZPJMESA-N 309.409 3.692 0 40 DHAB CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1 14602605 IQUQCHLGZUKUDP-SFHVURJKSA-N 313.397 3.893 0 40 DHAB CC(=O)c1cc2cccc(I)c2s1 15042998 HIWBWYKTZIBBTF-UHFFFAOYSA-N 302.136 3.709 0 40 DHAB O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 15837720 PFADBNOJYQNLGQ-CQSZACIVSA-N 304.390 3.934 0 40 DHAB Cc1cc(COC(=O)c2ccc(-c3ccccc3)nc2C)no1 16166803 RTAQQNPOIXCIOA-UHFFFAOYSA-N 308.337 3.710 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1C 19736475 SHVKKDJGIALOOS-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1cccc(OCCCNC(=O)N(C)Cc2ccsc2)c1 26279080 RAEVBRVZQSODDH-UHFFFAOYSA-N 318.442 3.667 0 40 DHAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2cccnc2)C1 36360513 QEQKIWMYNNKDFW-LBPRGKRZSA-N 308.316 3.530 0 40 DHAB Cc1noc(C)c1CC(=O)N1CC[C@@H](C)Sc2ccccc21 36619854 LGDSZWAQGAZDJU-LLVKDONJSA-N 316.426 3.751 0 40 DHAB O=C(CCc1cccs1)Nc1ccc(Cl)c(C(=O)O)c1 37403797 JJBCMBUCIWWRCI-UHFFFAOYSA-N 309.774 3.671 0 40 DHAB CCCCCOc1ccccc1CN1C(=O)C(=O)c2ccccc21 39842016 GXJQNVPVEBSTIA-UHFFFAOYSA-N 323.392 3.985 0 40 DHAB O=C(Nc1ccon1)c1cc2sccc2n1Cc1ccccc1 40806084 MIZGFPHSVMNKDA-UHFFFAOYSA-N 323.377 3.991 0 40 DHAB Cc1cccnc1NC(=O)N[C@H]1CCSc2ccc(F)cc21 45234035 BRGZGXKGPGHFDL-ZDUSSCGKSA-N 317.389 3.888 0 40 DHAB O=C(NC1CCCCCC1)c1cnn(-c2ccc(Cl)cc2)c1 45941252 JPYNNNCNTXNJPN-UHFFFAOYSA-N 317.820 3.978 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(Oc3cnccn3)cc2)cc1 46721874 NESHRAHNLFNAAQ-UHFFFAOYSA-N 319.364 3.759 0 40 DHAB CC(C)[C@@H](C)NC(=O)CSCc1c(F)cccc1Cl 58689603 UGMJUJRPKBKWLL-SNVBAGLBSA-N 303.830 3.873 0 40 DHAB CC(C)c1noc(CCCNC(=O)NC2CCCCCCC2)n1 60339941 PGWXJPUVHSKWKU-UHFFFAOYSA-N 322.453 3.538 0 40 DHAB O=C(Cc1ccc(F)cc1)NCCSCc1ccccc1F 60906322 CUPBPHNTMVSZTB-UHFFFAOYSA-N 321.392 3.557 0 40 DHAB CC(C)c1nc(CCNC(=O)CCc2ccccc2)cs1 69520219 PUVOFUNAXGFEID-UHFFFAOYSA-N 302.443 3.558 0 40 DHAB C[C@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)C1CC1 71909581 DQJTWPMDLIJDDX-YTEVENLXSA-N 322.474 3.654 0 40 DHAB COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)cc2)C1 71915873 WBZYNRFKWVOWNM-ZDUSSCGKSA-N 314.360 3.856 0 40 DHAB C[C@H](NC(=O)c1ccsc1)c1nc(-c2cccnc2)cs1 75136646 ISQGGDJBVQBUTQ-JTQLQIEISA-N 315.423 3.758 0 40 DHAB Cc1nc(C)c(COc2cccc(Oc3ncccn3)c2)s1 78904264 NEUIIZDZORMVHH-UHFFFAOYSA-N 313.382 3.921 0 40 DHAB COc1ccc(-c2nc(C)c([C@H](C)N[C@H]3CCOC3)s2)cc1 89724328 WCDVKXCCBYYWGA-FZMZJTMJSA-N 318.442 3.567 0 40 DHAB CSc1nc(-c2ccccc2)cn1Cc1nnc(C(C)C)o1 95426078 GUHPRNWBXKVNMZ-UHFFFAOYSA-N 314.414 3.827 0 40 DHAB N[C@H](c1ccccc1)c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 95533449 OVQTWHYWIBDAJJ-CYBMUJFWSA-N 318.302 3.539 0 40 DHAB Cc1ccsc1CN1CCC2(CC1)C[C@H](OCC1CC1)CO2 96106630 OKLYQEIYMRKAPX-INIZCTEOSA-N 321.486 3.607 0 40 DHAB CCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)NC1CCCCC1)C2 100425665 IUTAYGHMDXGUGL-QZTJIDSGSA-N 321.509 3.804 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102194180 SIRDUEBANVXGRZ-IFCWYPFCSA-N 301.430 3.785 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2C(=O)O 118930917 PMVFYJLNDAMKPJ-IGVQRDAMSA-N 316.441 3.931 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 224431923 UVUWUEXEYDETFE-OAHLLOKOSA-N 313.397 3.856 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1C 224638156 ILAFEQGWKSFVEM-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccccc1Cl 225597124 RPJYDIHHWBLANG-LBPRGKRZSA-N 315.800 3.636 0 40 DHAB COc1cc(C)c(NC(=O)C2(Sc3ccccc3)CC2)cn1 225960454 YRQWTSHCUUPROD-UHFFFAOYSA-N 314.410 3.662 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N)cc1C 227144950 QWRVARUYVHTGCF-UHFFFAOYSA-N 306.365 3.991 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@]3(CCN3CC(C)C)C2)c(C)c1 585102258 VSLLAZNIUYGVKZ-HXUWFJFHSA-N 314.473 3.640 0 40 DHAB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2)c(OC)c1 147529 RURJRXYXNSBHIC-ONNFQVAWSA-N 318.756 3.976 0 40 DHAB Cc1ccc(CSc2nnc(-c3ccncc3)n2C)cc1C 523724 MGIIEKUIYMOYBJ-UHFFFAOYSA-N 310.426 3.786 0 40 DHAB Cc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1C 2715816 ZTEXNOIUZNCSSM-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)C(C)(C)C 5053900 QRPMNSUQFBZLFT-UHFFFAOYSA-N 314.429 3.764 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OC 6415415 PHARBCYPMIMYSF-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB CC[C@@H](C)[C@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 6554895 YLLWFPVPWZUFOD-YJYMSZOUSA-N 309.409 3.716 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)COc2ccccc2OC)cc1 7262779 UNHQYEURJPVWEU-CQSZACIVSA-N 313.397 3.514 0 40 DHAB O=C(O)COc1ccc(/C=C/c2ccc3ccccc3n2)cc1 7586825 SLCJHJZWABSQGY-WEVVVXLNSA-N 305.333 3.869 0 40 DHAB Cc1ccccc1-c1nnc2ccc(Nc3ccccc3)nn12 9344615 NRZYKPPMBVXKFJ-UHFFFAOYSA-N 301.353 3.843 0 40 DHAB CC(C)(C)c1ccc(CCC(=O)NCCN2CCCCC2)cc1 10328687 KTYYFOSADZOKLT-UHFFFAOYSA-N 316.489 3.519 0 40 DHAB O=C(c1ccncc1)N1CCC(c2c[nH]c3ccccc23)CC1 11260262 DUOXRJUALBCNRA-UHFFFAOYSA-N 305.381 3.583 0 40 DHAB Cc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1C 11490470 LEUOGZBLIXLMMO-UHFFFAOYSA-N 307.279 3.504 0 40 DHAB COc1ccc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)cc1 12236403 LSBHUEHEOSZKOE-SFHVURJKSA-N 307.397 3.909 0 40 DHAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CCC(C)C)c(C)c1 12952695 SSHONWOOAQFNLQ-HNNXBMFYSA-N 305.418 3.918 0 40 DHAB COc1ccc(-c2nc(CNC(=O)c3ccccc3)cs2)cc1 15832627 IYNDFCOKQJZWHH-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB COc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 21820979 LXWSNSOIXTXSJB-UHFFFAOYSA-N 306.383 3.586 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(F)cc1 25454151 KQTNDFJVMVLITQ-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB CCn1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)n1 27930066 IYUQTCUURTXNNJ-UHFFFAOYSA-N 307.353 3.948 0 40 DHAB O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1C[C@@H]1c1ccccc1 28246292 HEZQQKALHWKOSW-MSOLQXFVSA-N 303.365 3.615 0 40 DHAB CC[C@@H](NC(=O)NCc1ccccc1OC)c1ccc(C)cc1 30989246 ZFNWMXZLEBOWLJ-QGZVFWFLSA-N 312.413 3.954 0 40 DHAB CN(Cc1ccc(Br)o1)C(=O)Nc1ccccc1 31091752 ZDSGQXSFCULIEE-UHFFFAOYSA-N 309.163 3.706 0 40 DHAB COc1ccc([C@H](C)NC(=O)Cc2ccccc2Cl)cc1F 32745010 GMAPDVXKWJUZGL-NSHDSACASA-N 321.779 3.908 0 40 DHAB COc1cccc(Oc2ncc(-c3ccc(C(=O)O)cc3)cn2)c1 32918464 MVOQCPCHFWOQJO-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB CCn1cc(NC(=O)c2ccccc2COc2ccccc2)cn1 36394908 DMLXMDXLQSKIOT-UHFFFAOYSA-N 321.380 3.734 0 40 DHAB COc1ccc(-c2cc(SCc3ccccn3)ncn2)cc1 36709738 GWVIHFQLHNKYNC-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB N[C@H](CC(=O)O)c1ccc(-c2cc(Cl)ccc2Cl)o1 44216764 DEDMBDKHYZMPEV-SNVBAGLBSA-N 300.141 3.728 0 40 DHAB Clc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1 49169407 DIEGGOZVIIIQMP-LBPRGKRZSA-N 303.793 3.732 0 40 DHAB biogenic,in-vitro Cc1nc(C)c(C(=O)N2CCCCC[C@H]2c2ccncc2)s1 49765673 VRRFWOLQPNZRRZ-HNNXBMFYSA-N 315.442 3.912 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1c1ccc(F)cc1 55506507 SFWUABOBSKXHPT-IIDMSEBBSA-N 318.436 3.752 0 40 DHAB CC(C)(C)c1noc(C[S@@](=O)[C@H]2CCCc3ccccc32)n1 58379984 BNGHZQJEYUFAJC-FPTDNZKUSA-N 318.442 3.693 0 40 DHAB OC[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 63001578 FDEJYFGUMRKRRJ-GFCCVEGCSA-N 316.710 3.899 0 40 DHAB Cc1cc(C)c(NC(=O)NCCc2ccccn2)c(Cl)c1 65609858 AFACANRHMLKCCO-UHFFFAOYSA-N 303.793 3.716 0 40 DHAB O=c1[nH]c(Cc2cccnc2)nc2ccc(-c3ccccc3)cc12 69533450 COKVGBMTTAHJRB-UHFFFAOYSA-N 313.360 3.576 0 40 DHAB C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 71832894 CWACDAOUHIRJHB-SUMWQHHRSA-N 300.377 3.696 0 40 DHAB Cc1ccc(CSCCNC(=O)Cc2cccs2)cc1 78946790 DNMQIJWPOZBIKY-UHFFFAOYSA-N 305.468 3.649 0 40 DHAB C[C@H](N[C@@H]1CCc2c(F)cccc21)c1ccc([S@](C)=O)cc1 95421143 BBRREWZPCAPMSZ-IUIBJCPJSA-N 317.429 3.901 0 40 DHAB O=C(c1cc(Cl)ccc1F)N1CC[C@@H]1Cc1ccccc1 95963338 CSKSZJFVLMLBRZ-CQSZACIVSA-N 303.764 3.936 0 40 DHAB CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc[nH]1 96423941 CMKXUGFGOKOEEI-UHFFFAOYSA-N 305.381 3.739 0 40 DHAB CCc1ccsc1CN[C@@H](C)c1ccc([S@@](C)=O)cc1 96479223 XXFCVBOWKNWSQX-YUNKPMOVSA-N 307.484 3.899 0 40 DHAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 100113297 AWCDBPOHAKXSBK-MBOZVWFJSA-N 324.424 3.522 0 40 DHAB CC1CCN(C[C@H](O)CCO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 104489264 VKHVDMQUWAJNHZ-XFKSJGNHSA-N 323.521 3.701 0 40 DHAB COCc1nc(CNc2ccc(-c3ccccc3)cn2)cs1 162222957 IAFFQERBXGFPBX-UHFFFAOYSA-N 311.410 3.964 0 40 DHAB NC1=NN(c2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2)C1 222546980 ASCYZYOOQDQFGK-CQSZACIVSA-N 305.303 3.929 0 40 DHAB CCCCOCc1cc(C(=O)N[C@H](C)CCC)ccc1OC 224442136 FIUYWIRLICYVGO-CQSZACIVSA-N 307.434 3.930 0 40 DHAB Cc1cccc(OCCNC(=O)Cc2ccc(Cl)cc2F)c1 225122965 YSXGDZLQCDULLC-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cn1 225898944 BFYZVFPILTXEDC-UHFFFAOYSA-N 320.433 3.938 0 40 DHAB CN1CC[C@@H](NCc2ccccc2Cl)[C@@H](c2ccccc2)C1 248129380 MSHNPNGYEYSRMB-IEBWSBKVSA-N 314.860 3.918 0 40 DHAB CC[C@H](C)OCc1nn(CC(F)(F)F)cc1Br 408716292 LBUIBYIPNKRDJF-ZETCQYMHSA-N 315.133 3.523 0 40 DHAB Cc1cnc([C@H]2CCN(C(=O)C3(c4ccccc4)CCCC3)C2)[nH]1 585181432 MGUNJBUYENJXNP-INIZCTEOSA-N 323.440 3.546 0 40 DHAB CCc1c(C(F)F)[nH]c2ccc(OC(F)(F)F)cc2c1=O 685938027 GZNKHDCVMXBGGN-UHFFFAOYSA-N 307.218 3.927 0 40 DHAB O=C(CSCc1ccccc1)NCc1ccc(C2CC2)nc1 1775966253 VZWDIYQDVUATKS-UHFFFAOYSA-N 312.438 3.509 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc2ccccc2s1 337645 GAUZBXMEYGHPTF-SOFGYWHQSA-N 324.361 3.677 0 40 DHAB CCn1nc(NC(=O)CC(C)C)c2cc3cc(C)ccc3nc21 525413 XWTJJSIFCDSJOL-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB CCc1nc(N2C[C@H](C)O[C@@H](C)C2)c2oc3ccccc3c2n1 542619 PMGOOAVBGZPWCB-RYUDHWBXSA-N 311.385 3.552 0 40 DHAB CC[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364321 WFTCEDRIOGXYRD-NWDGAFQWSA-N 319.430 3.550 0 40 DHAB CCOC(=O)[C@@H](C[C@@H](C(=O)O)c1ccccc1)c1ccccc1 1581059 JGVQIPKMDNEGKH-SJORKVTESA-N 312.365 3.592 0 40 DHAB CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 1632292 KEWFCLDAAYJNMJ-UHFFFAOYSA-N 317.385 3.723 0 40 DHAB COc1ccc(CCC(=O)Nc2nc3ccccc3s2)cc1 2648262 YDJMEDBIIXOZRN-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB CC(C)Cc1nnc(NC(=O)c2cc3ccccc3o2)s1 2783730 QYLCYMFTCDUMJJ-UHFFFAOYSA-N 301.371 3.735 0 40 DHAB O=C(CNc1ccc(Cl)cc1F)N1CCCc2ccccc21 3222081 XLWLJZSOPSNTJZ-UHFFFAOYSA-N 318.779 3.870 0 40 DHAB CCC[C@@H](C)NC[C@@H](O)COc1ccc(OC)cc1C(C)(C)C 3434372 VHMWXAMSFWEUEL-HUUCEWRRSA-N 323.477 3.511 0 40 DHAB CC(C)Cc1nnc(NC(=O)c2cc3c(s2)CCC3)s1 3447028 HBSUMPMKVSKXDE-UHFFFAOYSA-N 307.444 3.539 0 40 DHAB Oc1ccccc1-c1nc2cnccn2c1Nc1ccccc1 3896531 RBGYIEZFJOKJQW-UHFFFAOYSA-N 302.337 3.846 0 40 DHAB CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1C 4088426 GKGYPLSJTWGPPG-UHFFFAOYSA-N 314.410 3.785 0 40 DHAB CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@H](CN2CCCCC2)O1 4862833 IUQYLYYXKZJRJM-RZFLPCETSA-N 307.478 3.676 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCCc2ccccc21 5442841 PTJIUEYPNRYUGO-UGSOOPFHSA-N 313.372 3.787 0 40 DHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1C(C)C 7418187 FLOUPWVEFAPMON-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB Cc1ccc(-c2csc(=S)n2CC(=O)NC(C)C)cc1 7778576 POGBOVHEJIRPIR-UHFFFAOYSA-N 306.456 3.779 0 40 DHAB Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(F)cc2)s1 8436343 RQZQDNBPZBIMMJ-UHFFFAOYSA-N 313.357 3.784 0 40 DHAB COc1cccc(C(=O)N(Cc2ccco2)c2ccccn2)c1 8586553 SGNCGIDDEFYSLY-UHFFFAOYSA-N 308.337 3.530 0 40 DHAB Clc1cccc(Cl)c1CNc1nc(-c2ccco2)n[nH]1 9667693 XKQFTSZJBGBJQY-UHFFFAOYSA-N 309.156 3.984 0 40 DHAB COc1cccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 12621395 RPDCQWQAAWSYTH-ZDUSSCGKSA-N 309.365 3.861 0 40 DHAB c1cncc(-c2nccc(CN3CCC[C@H]4CCCC[C@H]43)n2)c1 12670941 QOPIFIMHBKCQAS-CRAIPNDOSA-N 308.429 3.693 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC(F)F)cc1 12751678 HYLXTJOIALYMIA-SMDDNHRTSA-N 312.360 3.666 0 40 DHAB C[C@H]1CCCC[C@H]1NC1=NN=C(c2c(F)cccc2F)CS1 12797730 PKBYSZPJBMUYBC-GXFFZTMASA-N 323.412 3.940 0 40 DHAB COc1cc(NC(=O)CCc2ccco2)c(OC)cc1Cl 12913259 WLZFFGRYOOHXLB-UHFFFAOYSA-N 309.749 3.522 0 40 DHAB COc1ccccc1CNC(=O)N[C@H](C)CCc1ccccc1 12916048 TVXIRQXEOZGTSF-OAHLLOKOSA-N 312.413 3.516 0 40 DHAB CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)o2)cc1 12925317 UZBDOSIFUNIDDU-UHFFFAOYSA-N 320.776 3.714 0 40 DHAB Cc1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 14378181 OGVNWIPNZFOTJF-UHFFFAOYSA-N 309.287 3.692 0 40 DHAB O=C(CNc1ccccc1N1CCCCC1)NC1CCCCC1 15123228 PKNXUXIGWFFFKV-UHFFFAOYSA-N 315.461 3.538 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1 15357574 KTCTVISGQDHIGS-CQSZACIVSA-N 301.361 3.526 0 40 DHAB CCCCn1c(=N)n(CCOc2ccccc2)c2ccccc21 19798396 NRNFOBYMDCYWIL-UHFFFAOYSA-N 309.413 3.801 0 40 DHAB COc1ccccc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1 20867811 DTJVNTCMXRVNOC-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB COc1cc(OC)cc(C(=O)N(C)[C@@H](C)c2cccs2)c1 24538439 UPNGIMBTSFJBHL-NSHDSACASA-N 305.399 3.599 0 40 DHAB O=C(NCc1ccccc1)c1cc(-c2ccccc2Cl)[nH]n1 24959552 SAMINIBOHAIZAG-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27582160 WLFZXMPGOWHGHP-MRXNPFEDSA-N 314.454 3.623 0 40 DHAB COc1ccc(C(C)(C)C)cc1NC(=O)CC(C)(C)CC(=O)O 32496817 YGMIUGFSOWKUEZ-UHFFFAOYSA-N 321.417 3.822 0 40 DHAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1 32768508 DTPMELNOXZAAEU-BZNIZROVSA-N 301.773 3.521 0 40 DHAB Cc1ccc(F)c(NC(=O)C2(c3ccccc3)CCOCC2)c1 32804284 IOKVASUEYQUVCN-UHFFFAOYSA-N 313.372 3.821 0 40 DHAB Cc1cnc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cn1 40117333 REAYTZADLDUPRZ-KRWDZBQOSA-N 313.376 3.585 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(Br)cc2)cc1 42418630 ZAEDPCLNDJYFGJ-UHFFFAOYSA-N 304.187 3.688 0 40 DHAB O=C(NCc1ccccc1)Nc1ccc(Br)cc1F 43260416 PGFMCVXDXUIJCQ-UHFFFAOYSA-N 323.165 3.910 0 40 DHAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 44790125 GYPZEYWXRZTKMK-GOEBONIOSA-N 322.880 3.857 0 40 DHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccccc1 44884918 IXFPBHMSPBDNMN-IBGZPJMESA-N 311.425 3.820 0 40 DHAB COc1ccc([C@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 44900208 MBKKYIXQKHAPOH-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB Cc1n[nH]c2c1[C@H](c1ccnc3ccccc13)SCC(O)=N2 44901210 LWQQZHVFRKIEFB-HNNXBMFYSA-N 310.382 3.691 0 40 DHAB Cc1ccc(CNC(=O)Nc2ccccc2-n2cccn2)cc1 48152367 FPWMFFUEXQQKQL-UHFFFAOYSA-N 306.369 3.502 0 40 DHAB Cn1c([C@H]2CCN(CCCc3ccccc3)C2)nc2ccccc21 49171180 YEHHVSPRHHRKMP-SFHVURJKSA-N 319.452 3.995 0 40 DHAB biogenic,in-vitro Cc1ccc(C)c2c(C)c(C(=O)NCCN3CCCCC3)oc12 56397980 FBYFUNIBAAMCPF-UHFFFAOYSA-N 314.429 3.574 0 40 DHAB CCOc1ccccc1CNC(=O)c1cc2c(s1)CCCC2 57416246 QFRRSGZZSNCSRG-UHFFFAOYSA-N 315.438 3.956 0 40 DHAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1ccncc1 58265711 PPQDBCOMXZYAFS-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 59227369 VJSRNDPPUIYGJC-INIZCTEOSA-N 322.408 3.603 0 40 DHAB C[C@@H](c1ccco1)N(C(=O)c1cc(-c2ccco2)[nH]n1)C1CC1 65829082 VFZZERSJXWVDME-NSHDSACASA-N 311.341 3.629 0 40 DHAB Cc1ccc([C@@H](C)N(C)C(=O)NCc2c(C)noc2C)cc1 67761115 FSOJXQHOLDQSON-CYBMUJFWSA-N 301.390 3.502 0 40 DHAB Cc1noc(Cl)c1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 69491036 USYYUPXOPYHGIU-CQSZACIVSA-N 322.767 3.682 0 40 DHAB O=C(CC1CCCC1)NCc1nnc(-c2ccc(Cl)cc2)o1 69951803 UNIGSWCBDPPENP-UHFFFAOYSA-N 319.792 3.587 0 40 DHAB Oc1ccccc1-c1ccnc2c(-c3ccc(F)cc3)cnn12 72406387 YMJJADHDNGTZAX-UHFFFAOYSA-N 305.312 3.908 0 40 DHAB Cc1cc(CN(C[C@@H](C)O)c2ccccc2)c2ccccc2n1 74353626 WFTFBCJZBDHVSO-MRXNPFEDSA-N 306.409 3.931 0 40 DHAB CCCOc1ccc(CNc2cccc(C(=O)O)c2)cc1OC 76275016 UIQJOWFGEVPFLM-UHFFFAOYSA-N 315.369 3.794 0 40 DHAB CCc1noc(C)c1C(=O)N(CC)[C@H](C)c1ccc(F)cc1 79356482 OFTZBIVNFYJGCW-LLVKDONJSA-N 304.365 3.908 0 40 DHAB C[C@@H](CNC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccncc1 95409991 GOQOESCFHYILMN-UONOGXRCSA-N 313.401 3.713 0 40 DHAB COc1ccc([C@H](C)N[C@@H](C)c2cccc(-n3cncn3)c2)cc1 95423552 SVUWTKHIJQWCLK-GJZGRUSLSA-N 322.412 3.688 0 40 DHAB O=C(NC1CCC(O)CC1)C1(Sc2ccccc2)CCCC1 96408371 SKRXDSKROLCZHN-UHFFFAOYSA-N 319.470 3.511 0 40 DHAB O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(O)c(Cl)c1 97080076 ZIKJCMKFZLGFTQ-UHFFFAOYSA-N 314.728 3.953 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H]1c1nc2ccccc2[nH]1 105757856 CKDOXQLTSQDWES-ZJOBFFGXSA-N 309.413 3.663 0 40 DHAB FC(F)c1nnc(SCc2ccc(Br)cc2)[nH]1 216902942 DRBRTHMFLLTEFQ-UHFFFAOYSA-N 320.162 3.797 0 40 DHAB Cc1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)c(C)c1 218736306 YSYWMXFUAIVXRQ-UHFFFAOYSA-N 323.348 3.676 0 40 DHAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COC)c1 224395576 LYBIEYCUCNLLAQ-UHFFFAOYSA-N 313.397 3.965 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 248333769 KLAVVVARGBVTEU-ACDHPSKBSA-N 323.521 3.557 0 40 DHAB Cc1ccccc1C(C)(C)C(=O)N[C@H](C)c1ccncc1F 513392989 AWMWUMLCPYZDMT-CYBMUJFWSA-N 300.377 3.684 0 40 DHAB O=C(NCCc1ccco1)[C@H](c1cccnc1)C1CCCCC1 585141297 SCLBABVWVKCZNA-SFHVURJKSA-N 312.413 3.697 0 40 DHAB COc1ccc(CNc2nccc(C(F)(F)F)c2C=O)cc1 616567691 QSRUJJLSEXQMHS-UHFFFAOYSA-N 310.275 3.534 0 40 DHAB O=C(Cc1ccc(F)cc1)N1CC2(CC(c3ccccc3)C2)C1 1775971073 VMCXUUHOKBLIQL-UHFFFAOYSA-N 309.384 3.774 0 40 DHAB C(=C/c1ccccc1)\CN1CCc2nc3ncccc3cc2C1 2087045455 GQNMAYRBUUHXTE-VMPITWQZSA-N 301.393 3.701 0 40 DHAB CCc1c(C)c2ccc(O[C@@H]3CCCCC3=O)c(C)c2oc1=O 489393 FUKQFVKPKIBOGB-QGZVFWFLSA-N 314.381 3.863 0 40 DHAB biogenic Cc1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)n2O)cc1 1382191 SBQRAGGWXVKOGX-UHFFFAOYSA-N 321.163 3.916 0 40 DHAB O=C(NCCCc1ccccc1)c1ccccc1Br 2101139 OEOFRGMCYQJJJZ-UHFFFAOYSA-N 318.214 3.812 0 40 DHAB O=C(Cc1ccc(Br)cc1)c1cc(F)ccc1O 2243277 UKXGFMPVSZUPIP-UHFFFAOYSA-N 309.134 3.719 0 40 DHAB biogenic CC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 2774465 KDDYVMFTVAWAAL-IZZDOVSWSA-N 314.772 3.950 0 40 DHAB CC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCCCCC1 4190500 HXCDVFLRVSWOGS-INIZCTEOSA-N 305.470 3.751 0 40 DHAB Cc1cccc(NC(=O)C2(c3cccs3)CCOCC2)c1 4376512 QRWSMZVDUQODIX-UHFFFAOYSA-N 301.411 3.743 0 40 DHAB Cc1ccc(-c2nc(CCNC(=O)c3ccco3)cs2)cc1 4570720 LIAFLKQFVXORIX-UHFFFAOYSA-N 312.394 3.684 0 40 DHAB COc1cc2ncnc(Nc3cccc(C(C)=O)c3)c2cc1OC 5236336 OMRVBDOHGDQYFB-UHFFFAOYSA-N 323.352 3.593 0 40 DHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1 6178636 XKFQWEKDASGWQQ-GFCCVEGCSA-N 324.409 3.591 0 40 DHAB CCCCO[P@](C)(=O)OC[C@@H]1CCCN2CCCC[C@H]12 6397669 MHYQTYYTGDIMIE-MDOVXXIYSA-N 303.383 3.907 0 40 DHAB biogenic COc1ccc2c(CN3CCCc4ccccc43)cc(=O)oc2c1 6622343 PKKXPMWFKKVMCG-UHFFFAOYSA-N 321.376 3.754 0 40 DHAB O=c1c2ccccc2[nH]c(=S)n1C12CC3CC(CC(C3)C1)C2 7045272 BAUNMWDEFGOGHE-UHFFFAOYSA-N 312.438 3.984 0 40 DHAB Cc1ccc(CNC(=O)c2sc(-c3ccccn3)nc2C)cc1 7808056 GSUOERQTYPXBEK-UHFFFAOYSA-N 323.421 3.752 0 40 DHAB Nn1cc(-c2ccccc2)nc1SCc1nc2ccccc2o1 7901410 XGCNVAMRCRZIQN-UHFFFAOYSA-N 322.393 3.697 0 40 DHAB Cc1noc(C)c1CC(=O)Nc1nc2ccc(Cl)cc2s1 7988798 ZLERPBUXGNCVCG-UHFFFAOYSA-N 321.789 3.736 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1F 8041373 NAVRUZBQWGTVAT-AWEZNQCLSA-N 309.287 3.900 0 40 DHAB COc1ccc(F)cc1CSc1nnc(NC(C)C)s1 8734196 GXAFUEUBCRUAII-UHFFFAOYSA-N 313.423 3.798 0 40 DHAB Cc1ccn2cc(C(=O)N(Cc3ccccc3F)C3CC3)nc2c1 9366911 KYQQCGGENRVPDW-UHFFFAOYSA-N 323.371 3.587 0 40 DHAB Cc1nc2cc(NC(=O)c3ccc(Br)o3)ccc2o1 9455065 WPKDLQOZSBCNRX-UHFFFAOYSA-N 321.130 3.744 0 40 DHAB CC(C)(C)NC(=O)Cn1c(-c2cccs2)cc2cccnc21 12118259 JIBFOWFUCBUEBR-UHFFFAOYSA-N 313.426 3.680 0 40 DHAB C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1cc2ccccc2o1 12591884 XLCKLBFPISGFLA-CYBMUJFWSA-N 308.381 3.990 0 40 DHAB CCc1cccc2cc(CNCCCc3ccccc3)c(=O)[nH]c12 13566554 AOQYGLMZHXOTCR-UHFFFAOYSA-N 320.436 3.813 0 40 DHAB CC[C@@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccccc3)=NN12 13810723 MIYYOWVPCDXHJW-AEFFLSMTSA-N 308.381 3.975 0 40 DHAB O=C(Cc1ccc2ccccc2c1)Nc1nc2c(s1)CCC2 13972982 OCUYVXDXUARDAP-UHFFFAOYSA-N 308.406 3.966 0 40 DHAB O=C(Cc1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 14706606 VOCSMROTJQGWJQ-UHFFFAOYSA-N 324.811 3.949 0 40 DHAB Cc1ccc(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 15588778 KPNAVAWHOMJWFL-VAWYXSNFSA-N 317.392 3.510 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2cccc3ccccc23)N(C)C)o1 15860129 HHMKDEAALNKKFE-SFHVURJKSA-N 322.408 3.774 0 40 DHAB C[C@H]1CN(c2ncnc3sc4c(c23)CCCCC4)C[C@@H](C)O1 15912102 JDNUFBBLJXJDNS-TXEJJXNPSA-N 317.458 3.574 0 40 DHAB Cc1cc(C)n(C2CCN(Cc3ccc4ccccc4n3)CC2)n1 19656879 VXULGSQUPDZVRF-UHFFFAOYSA-N 320.440 3.885 0 40 DHAB CCN(Cc1ccccc1)[C@H]1CN(C(C)=O)C2(CCCCC2)C1 19695672 VVNGOLRQRXROGS-LJQANCHMSA-N 314.473 3.832 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(OC(C)C)cc1 20141825 QQTOCDNPGQZHAT-UHFFFAOYSA-N 313.353 3.733 0 40 DHAB Cc1ccc(COc2ccc(Br)cc2CO)cc1 20298021 ULKIXNJUOQDNIR-UHFFFAOYSA-N 307.187 3.829 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSC(C)(C)C 20490236 VIVALFDERSHTCM-HNNXBMFYSA-N 309.475 3.800 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCc2ccccc2C1 20492555 ONPZBKIZCCBVKH-IBGZPJMESA-N 309.409 3.737 0 40 DHAB O=C(Nc1ncccn1)c1sc2cc(F)ccc2c1Cl 21210946 INLLSXYKGNNHQJ-UHFFFAOYSA-N 307.737 3.736 0 40 DHAB O=C(OCc1nc2ccccc2o1)c1c[nH]nc1-c1ccccc1 25066264 UYDPTJSCMSSPQW-UHFFFAOYSA-N 319.320 3.575 0 40 DHAB CC(C)COc1cccc([C@H]2CC(O)=Nc3nc(N)sc32)c1 32093892 KGVCKNLWEBIEKV-GFCCVEGCSA-N 317.414 3.884 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)C1(c2ccccc2)CCOCC1 32689698 ZKVXSIRXCMGNRC-QGZVFWFLSA-N 323.436 3.921 0 40 DHAB Cc1nnc(COC(=O)c2sc3ccccc3c2Cl)o1 32910005 ANUIVUGSSBOBAR-UHFFFAOYSA-N 308.746 3.603 0 40 DHAB COCc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 33190724 BSBZPONCQRJNJE-UHFFFAOYSA-N 307.752 3.556 0 40 DHAB O=Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 36244689 LAYYEHSSHLGZJI-UHFFFAOYSA-N 308.234 3.972 0 40 DHAB O=C1[C@@H](Oc2ccccc2)[C@@H](c2cccnc2)N1c1ccccc1 40156580 NIWSYXZTOCZBKV-MOPGFXCFSA-N 316.360 3.617 0 40 DHAB COc1cc(C)c(NC(=O)N[C@H](C)c2cccs2)cc1OC 43405164 LZIDSAVQKMDJCW-LLVKDONJSA-N 320.414 3.956 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(C)c(C)o2)c1 49983001 CMPKRYRYCFPIHG-MRXNPFEDSA-N 316.401 3.646 0 40 DHAB Cc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)no1 57995380 RUPCGMPQURZJNS-INIZCTEOSA-N 305.422 3.627 0 40 DHAB COc1ccc2oc(C)c(C(=O)N[C@@H](C)c3cccnc3)c2c1 65627028 UYHCFZLMJAMPBT-NSHDSACASA-N 310.353 3.636 0 40 DHAB CC(C)c1ocnc1C(=O)Nc1nnc(-c2ccccc2)s1 69777432 SNPOQBNRVYQKHJ-UHFFFAOYSA-N 314.370 3.569 0 40 DHAB Cn1cnc2cc(OC(=O)c3c(F)cccc3Cl)ccc21 70640915 KLGLOMRNUQWDDW-UHFFFAOYSA-N 304.708 3.585 0 40 DHAB Cc1ccc([C@@H]2CSCCN2C(=O)c2ccnc(Cl)c2)o1 76067517 DDWOMBYURKMDIJ-LBPRGKRZSA-N 322.817 3.567 0 40 DHAB O=C(c1ccc2ccccc2c1)N1CCC[C@H](N2CCCC2)C1 76925877 IBTJSQSXMKHUAS-IBGZPJMESA-N 308.425 3.540 0 40 DHAB Clc1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)nc1 78658628 QRVZSOADMGKNGU-CQSZACIVSA-N 316.788 3.848 0 40 DHAB C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccccc1Br 83704512 GTMIWUDLXGRLPE-UKRRQHHQSA-N 323.278 3.508 0 40 DHAB COc1ccc(-n2ncc3c2N=C(O)CS[C@H]3C(C)C)cc1 85431227 GOCODKKIJRWLFO-HNNXBMFYSA-N 317.414 3.913 0 40 DHAB c1cncc(-c2ccc(CNc3ccc(-n4ccnn4)cc3)o2)c1 89794108 FPDWTKHDEOXIRR-UHFFFAOYSA-N 317.352 3.534 0 40 DHAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1csc2ccccc12 89949163 LCPWTHKQZJGCAU-PBHICJAKSA-N 316.470 3.638 0 40 DHAB CC[C@@H](NC1CCC(O)CC1)c1ccccc1Br 90799940 PLPVAJDXMFRYNJ-KOHJWAIASA-N 312.251 3.793 0 40 DHAB Cc1ccc(C)c([C@H](C)NCC(=O)NC[C@@H](C)c2ccccc2)c1 95939078 URDKRSKXTKIGJA-MSOLQXFVSA-N 324.468 3.874 0 40 DHAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](C(C)C)S1 96118037 SEOCZJVLWDBOQT-YPMHNXCESA-N 323.462 3.800 0 40 DHAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1C[C@H](C)c2ccccc21 96486613 PPPXBDDUIYXYMO-XWCIJXRUSA-N 311.429 3.885 0 40 DHAB Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)c(C)c1 143237534 MVNXQEDAAMKLGY-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB CCc1cnc(NC(=O)N[C@@H]2CCCOc3ccccc32)s1 174218453 CLXBDFVBHJJDAO-CYBMUJFWSA-N 317.414 3.741 0 40 DHAB O=C(NCc1ccco1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254854 SODYGYPAIKJPGH-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB CCOC(=O)c1cccc(NC(=S)NC2(CC)CCCC2)c1 225863367 QYJNKJKLCONJKO-UHFFFAOYSA-N 320.458 3.873 0 40 DHAB CCC[n+]1cc(Br)cc(-c2nc3ccccc3[nH]2)c1 226774276 FJFHXNNXUDDVPM-UHFFFAOYSA-N 317.210 3.690 0 40 DHAB Cc1ccc2c(C(=O)Nc3nnc(C)n3C3CC3)csc2c1 285408328 MTZQNNGGALJVMA-UHFFFAOYSA-N 312.398 3.697 0 40 DHAB CCc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409235245 OLDXWTZXBZRAAC-LDADJPATSA-N 320.392 3.650 0 40 DHAB CC(C)(C)Cc1csc(NC(=O)c2cc(C3CC3)on2)n1 540731087 AAEAVAFDQVPYNZ-UHFFFAOYSA-N 305.403 3.849 0 40 DHAB CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 731149867 ZNDNUFJFHXQWSR-NWDGAFQWSA-N 312.207 3.830 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccccn1 87556 LNDCDPOELJNVPJ-SFHVURJKSA-N 301.349 3.853 0 40 DHAB CCOC(=O)c1c(-c2ccccc2)c2cc(C)ccc2[nH]c1=O 381255 BJSLGRLGVMDYOZ-UHFFFAOYSA-N 307.349 3.680 0 40 DHAB O=C(NC(=S)N1CCCCC1)c1ccc(-c2ccccc2)cc1 525371 MHMWMWJRZDWBRX-UHFFFAOYSA-N 324.449 3.854 0 40 DHAB Cc1cccc(OCC(=O)Nc2nc3ccccc3s2)c1C 1256807 FRGIPCYPIILOID-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364318 WFTCEDRIOGXYRD-VXGBXAGGSA-N 319.430 3.550 0 40 DHAB O=C(c1cccc(CN2CCC2)c1)c1cc(F)c(F)c(F)c1 2515147 PFQRRJVVCYEYAM-UHFFFAOYSA-N 305.299 3.541 0 40 DHAB CC(=O)Nc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 3242907 WYROBFGVYOFTIF-OVCLIPMQSA-N 312.756 3.791 0 40 DHAB CC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)cc1F 3321715 YDVXJKYZHISTAL-UHFFFAOYSA-N 320.751 3.732 0 40 DHAB CCc1cccc(CC)c1NC(=O)COc1ccc(F)cc1 3460012 PVVBTKRVYQFWQU-UHFFFAOYSA-N 301.361 3.968 0 40 DHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC21OCCO1 4025579 TWYONAIDRKGWBX-VJANTYMQSA-N 314.425 3.991 0 40 DHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(C)cc1)CC3 4084461 LFJMPHFRPCMTIU-UHFFFAOYSA-N 320.392 3.683 0 40 DHAB biogenic CCCCOc1ccc(C(=O)NCCc2csc(C)n2)cc1 4166941 CUOCTGGPPXZAKZ-UHFFFAOYSA-N 318.442 3.603 0 40 DHAB O=C(O)[C@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)O 4831811 PHJIZAYKVVVWIS-USTZCAOPSA-N 322.360 3.525 0 40 DHAB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)c1ccccc1 6175354 LWXTZZJJWJWRBM-ZDUSSCGKSA-N 323.421 3.846 0 40 DHAB COC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 6397438 ISZGWGHOQICKBI-UHFFFAOYSA-N 300.383 3.550 0 40 DHAB CC[C@H](C)c1ccc(C(=O)CSc2nnc(N)s2)cc1 6609632 IYKRHAUKNBFNIB-VIFPVBQESA-N 307.444 3.609 0 40 DHAB O=C(NCCCSc1ccccc1)c1cnc2ccccc2n1 6651394 YNTKMDHQPGJHMK-UHFFFAOYSA-N 323.421 3.542 0 40 DHAB Cc1ccc(-n2ncc3c(Nc4ccccc4O)ncnc32)cc1 6660591 JRRBVVCVWQBITJ-UHFFFAOYSA-N 317.352 3.573 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(Br)cc1 7645540 RVRSXTNNLQZJNX-ANYFNZRUSA-N 320.186 3.933 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccsc2)cc1Cl 7926862 BRRLQQSJZQDDKB-UHFFFAOYSA-N 308.834 3.780 0 40 DHAB Cc1ccccc1C(=O)Nc1nonc1-c1ccc(Cl)cc1 8869603 PULWPXADFAHMRB-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB O=S(=O)(NCC1(c2ccccc2)CCCC1)c1cccs1 10667862 OSBWGHYKABTIIR-UHFFFAOYSA-N 321.467 3.538 0 40 DHAB COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@@H]2C)cc1 12809940 HHWGKKRJFHZDRY-GRDNDAEWSA-N 304.434 3.581 0 40 DHAB CC(C)Cn1nccc1NC(=O)COc1cccc2ccccc12 12931932 KWVHEAZTQYMEQF-UHFFFAOYSA-N 323.396 3.710 0 40 DHAB CCc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 12997389 KRUMMNVRRRNDNZ-UHFFFAOYSA-N 322.452 3.775 0 40 DHAB Cn1ccc([C@@H]2CCCCCN2Cc2c(F)cccc2F)n1 19291048 DGFSKLCEHYYFAY-KRWDZBQOSA-N 305.372 3.816 0 40 DHAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 22533674 XYOQHYJQIIEIPP-MRXNPFEDSA-N 303.789 3.986 0 40 DHAB C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1cccn1 24750672 SGYCLVDOFTUYRY-CQSZACIVSA-N 307.353 3.875 0 40 DHAB CCn1cnnc1-c1cccc(NC(=O)c2sccc2C)c1 25287589 AZEZLMHUVQGPHD-UHFFFAOYSA-N 312.398 3.587 0 40 DHAB Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 26894595 MPUGPCIUJYVPNB-SJORKVTESA-N 308.360 3.872 0 40 DHAB Cc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 27582111 UAADRYPVYYEZSK-MRXNPFEDSA-N 314.454 3.623 0 40 DHAB C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@@H]1CCCO1 27876027 RZLMOYZUVCDKLG-SKDRFNHKSA-N 319.348 3.596 0 40 DHAB O=C(CCCc1nc2ccccc2[nH]1)NCCC1=CCCCC1 29054996 VHAYYNPSSQCNLK-UHFFFAOYSA-N 311.429 3.892 0 40 DHAB COc1ccc(C(=O)N(Cc2cccc3[nH]ccc23)C2CC2)cc1 32091734 OJGGOQDZJNXWCM-UHFFFAOYSA-N 320.392 3.981 0 40 DHAB Cc1cccc(C(=O)NCc2cccc(CN3CCCC3)c2)c1 32462146 IXJWRYNQEOVBMU-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB COc1cc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc(OC)c1 40097745 PBCKXWOTOKIJGD-LLVKDONJSA-N 318.348 3.726 0 40 DHAB CCCc1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 40141364 WZKULMMIXMFADF-RKDXNWHRSA-N 321.368 3.798 0 40 DHAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(C)cc1C 45890175 NRRBJECJAZCFEE-UHFFFAOYSA-N 312.413 3.774 0 40 DHAB Cc1cc(NC(=O)[C@H](C)SCc2cccc(Cl)c2)no1 49048675 NUBRXCRAQTUEGF-JTQLQIEISA-N 310.806 3.897 0 40 DHAB CCCC(C)(C)NC(=O)CCc1ncc(-c2ccccc2)o1 50498002 MKEZNDZZDDHFEU-UHFFFAOYSA-N 300.402 3.969 0 40 DHAB Cc1noc(C)c1CNC(=O)N1CCC[C@H]1CC1CCCCC1 57995488 CWLGPRCTDKHPIZ-INIZCTEOSA-N 319.449 3.936 0 40 DHAB Cc1oc(-c2ccco2)nc1COc1ccc(-c2nnco2)cc1 69417516 GMVCCMMWGOAZBJ-UHFFFAOYSA-N 323.308 3.872 0 40 DHAB O=C(Cc1ccccc1F)N(Cc1cccnc1)Cc1ccco1 69433429 YXDPOGKFWCIPET-UHFFFAOYSA-N 324.355 3.585 0 40 DHAB FC(F)(F)c1cccc(-c2csc(N3CCOCC3)n2)c1 71793515 KZHRDJURFMRUCM-UHFFFAOYSA-N 314.332 3.666 0 40 DHAB O=C(COC1CCCC1)NC(c1cccs1)c1cccs1 71915270 QMNNCOPDLWYPOF-UHFFFAOYSA-N 321.467 3.974 0 40 DHAB O=C(c1ccncc1Cl)N1CCCSc2ccccc21 73009258 PMDFLOBVUYOAOP-UHFFFAOYSA-N 304.802 3.878 0 40 DHAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@@H](C)c1cccnc1 75605189 VVDFTDQEXFYOQX-GXTWGEPZSA-N 304.825 3.675 0 40 DHAB CN1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 82336950 HMBZBDFQLNKIGD-SECBINFHSA-N 320.742 3.639 0 40 DHAB CN(C)C[C@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 89844292 PDCVUUYYTAZEIN-GOSISDBHSA-N 312.413 3.503 0 40 DHAB FC1(F)CCN(CC2CC2)C[C@@]12CCN(c1ccccc1)C2 96051118 CEEOSAWUYNNOJU-QGZVFWFLSA-N 306.400 3.634 0 40 DHAB CC(C)N1Cc2cccc(NC(=O)c3ccncc3Cl)c2C1 96502606 KDPMAYOUOLPUHQ-UHFFFAOYSA-N 315.804 3.711 0 40 DHAB COCCC1(C(=O)N2C[C@@H](c3ccsc3)C[C@@H]2C)CCC1 97015017 XMFKNXIZECNSLS-ZFWWWQNUSA-N 307.459 3.659 0 40 DHAB c1ccc2c(N3CCCSCC3)nc(-c3ccncc3)nc2c1 97159071 AFOCATRSQUQCNA-UHFFFAOYSA-N 322.437 3.635 0 40 DHAB O=c1c2[nH]cc(-c3ccccc3)c2nc(S)n1-c1ccccc1 100071628 QFPJBJCVDIKFRJ-UHFFFAOYSA-N 319.389 3.670 0 40 DHAB Cn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(F)c21 100909169 XBKDLWQSNZMNNC-SDXDJHTJSA-N 320.776 3.773 0 40 DHAB CCOC(=O)[C@@H](C)c1ccc2ncc(Br)cc2c1 145886062 QAIDRRNYBDYSNI-VIFPVBQESA-N 308.175 3.664 0 40 DHAB c1ccc(N2CCC(Nc3cccc(-c4ncco4)c3)CC2)nc1 195552529 VFPAJQNUKQIWDK-UHFFFAOYSA-N 320.396 3.818 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1CCCC[C@H]1C 217797421 QSFBZJHQZMACKW-OAHLLOKOSA-N 305.418 3.541 0 40 DHAB Cc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 219273976 DGTQOGVNQPWPDM-KRWDZBQOSA-N 309.409 3.956 0 40 DHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 222903627 IUMFZIOFESBUSW-CABCVRRESA-N 317.483 3.772 0 40 DHAB COc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1C 225598457 RXZZEHRCVLBPFA-UHFFFAOYSA-N 317.816 3.858 0 40 DHAB CC(C)C(NC(=O)COc1cccc(C(F)(F)F)c1)C(C)C 225810162 NNPDFHPEZPTKPV-UHFFFAOYSA-N 317.351 3.881 0 40 DHAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c(C)n1 225889463 ZTIUUJVWAKEMNE-UGSOOPFHSA-N 320.433 3.713 0 40 DHAB Cc1cc(C)nc(Nc2ccccc2C(=O)NC2CCCCC2)n1 225917063 WUEQLZZFSZJSGC-UHFFFAOYSA-N 324.428 3.900 0 40 DHAB CCOc1nn(C)c2ccc(NC(=O)c3sccc3C)cc12 227166645 GLTGYNVGRNZQFB-UHFFFAOYSA-N 315.398 3.594 0 40 DHAB O=C(NCc1ccc(-c2ccco2)o1)NCc1cccs1 575609809 HPYDBNKPBTVELY-UHFFFAOYSA-N 302.355 3.601 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)CSc2nccn2C)cc1 31502 SEBHNTDAWYDYBH-LBPRGKRZSA-N 303.431 3.664 0 40 DHAB CC[C@@H](C)NC(=O)c1sc2nc3ccc(C)cc3cc2c1N 412191 HEAGNMPPPAYCQN-SNVBAGLBSA-N 313.426 3.868 0 40 DHAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 485263 YFKFNOYTPLWMOC-UHFFFAOYSA-N 318.373 3.811 0 40 DHAB Clc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 529769 FWJXZMUAIIBDCB-UHFFFAOYSA-N 313.773 3.568 0 40 DHAB C[C@@H]1CCc2sc3ncn4nc(-c5ccncc5)nc4c3c2C1 2350609 OJZYDSSZHBJCSO-SNVBAGLBSA-N 321.409 3.526 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2cccnc2Cl)cc1 2750620 ZLFVHMLUFYFQQK-UHFFFAOYSA-N 303.793 3.834 0 40 DHAB O=C(O)c1csc(COc2cc(Cl)cc(Cl)c2)n1 3126935 OCTDVWIQWSVSFP-UHFFFAOYSA-N 304.154 3.727 0 40 DHAB O=C(CCSc1ccccc1)OCC(=O)c1ccccc1 3240947 SGPXODCZWXBNNM-UHFFFAOYSA-N 300.379 3.595 0 40 DHAB COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c(OC)c1 3606756 GVBWCPPAOQGYGC-UHFFFAOYSA-N 324.380 3.756 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CNC(=S)Nc1ccccc1 3846325 VTDKMGFGTDCAQQ-QWQRMKEZSA-N 316.470 3.614 0 40 DHAB biogenic CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](CCc3ccccc3)[C@@H]1[C@H]2C 4026428 XWHWCKHMKQSYBV-HHUCQEJWSA-N 300.442 3.845 0 40 DHAB biogenic Cc1cc(C)cc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)c1 4062645 DZKUILLTBJMCDJ-UHFFFAOYSA-N 320.392 3.925 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCCSc1ccccn1 4893492 XPTWIGSCUUWIGN-CMDGGOBGSA-N 318.829 3.657 0 40 DHAB Cc1ccc2cc(CN(C(=O)C(C)C)C(C)(C)C)c(=O)[nH]c2c1 5053670 ISZAJKODOKZNOZ-UHFFFAOYSA-N 314.429 3.620 0 40 DHAB C[C@]1(O)c2ccccc2N[C@]12C[C@]1(C)Nc3ccccc3[C@@]1(C)O2 5486913 RTQHPAOPTVJQGO-HAGHYFMRSA-N 322.408 3.536 0 40 DHAB Clc1ccc2nc(-c3cccc(Br)c3)cc[n+]2c1 5891526 BHFHTHBDQCFAAI-UHFFFAOYSA-N 320.597 3.903 0 40 DHAB CCCCCCn1c(CCNC(=O)C(C)C)nc2ccccc21 6752623 HQXGLWQOCZRWRN-UHFFFAOYSA-N 315.461 3.931 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cccs2)c1 7792305 FMIVYFOVUHIKNM-FNORWQNLSA-N 321.785 3.840 0 40 DHAB Cc1c(Cl)c(CSc2nnc(C)n2C)nc2ccccc12 8272864 DSHASZCPDRZFFY-UHFFFAOYSA-N 318.833 3.926 0 40 DHAB CNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 8424194 YVRSXNFRIQSUHZ-UHFFFAOYSA-N 310.397 3.596 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cccs1 8650204 FSCPVYIOAFIEMG-UHFFFAOYSA-N 313.378 3.588 0 40 DHAB CCOc1ccc2[nH]c(C)c(Cc3ccc(OC)cc3)c(=O)c2c1 8740342 OFPQBTQZTGQBJY-UHFFFAOYSA-N 323.392 3.835 0 40 DHAB biogenic Cc1noc(C)c1CCC(=O)N1CC=C(c2ccccc2)CC1 8756670 SWTFRLWZUCMOCH-UHFFFAOYSA-N 310.397 3.540 0 40 DHAB Fc1cccc(-c2nnc(S)n2-c2cccc3ncccc23)c1 8992551 CVLQELVWMWBDRE-UHFFFAOYSA-N 322.368 3.910 0 40 DHAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccco1 9315724 WCWPYXUPBIFJPI-UHFFFAOYSA-N 304.396 3.703 0 40 DHAB Cc1cc(OC[C@H](O)CN2CCCC[C@H]2C)cc(C)c1Cl 11847327 QHCAZSIDWTYHKC-HUUCEWRRSA-N 311.853 3.571 0 40 DHAB Cc1oc2ccc(O)cc2c1C(=O)N(C)[C@@H](C)Cc1ccccn1 12325401 MSYBARKLWPFVTL-LBPRGKRZSA-N 324.380 3.545 0 40 DHAB C[C@H](Nc1ncnc2c1cnn2C)c1cccc2ccccc12 12486046 AOKWHLSOIKVKJO-LBPRGKRZSA-N 303.369 3.690 0 40 DHAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 12674121 SUJAQCINCVJIIU-UGSOOPFHSA-N 312.388 3.894 0 40 DHAB Cc1ccc(CC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 12797037 XULWETUMHLYHHL-UHFFFAOYSA-N 319.408 3.729 0 40 DHAB O=c1c2cc(Cl)ccc2nc(-c2ccccc2Cl)n1O 12959309 IDSAWSMBCNOJIJ-UHFFFAOYSA-N 307.136 3.608 0 40 DHAB Cc1ccc([C@H](Nc2cccc(F)c2)P(=O)(O)O)c(C)c1 12997410 SVNNQQYHZVDVJJ-OAHLLOKOSA-N 309.277 3.731 0 40 DHAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(F)c2)cc1 13932634 SHYPFYXDXZAVEF-LLVKDONJSA-N 304.390 3.882 0 40 DHAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 15583740 TWSKQCXDZOILGU-APPDUMDISA-N 316.351 3.569 0 40 DHAB O=C(COc1ccc2ccccc2c1)NCCc1cccs1 15788501 JMJYYVYJYWYGDM-UHFFFAOYSA-N 311.406 3.639 0 40 DHAB C[C@@H]1c2ccsc2CCN1CC(=O)NCCC1=CCCCC1 16420646 HCCLLOMHESGBEP-CQSZACIVSA-N 318.486 3.674 0 40 DHAB CSc1ccc(CN(C)C(=O)c2ccc(N(C)C)cc2)cc1 17972230 KHGVHENYCMVSLF-UHFFFAOYSA-N 314.454 3.747 0 40 DHAB Cc1cc(NC(=O)c2ccccc2O)ccc1Br 19806548 VCKHQPOSWDTTPB-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCC(C)C)c1Cl 20821945 GSDMUCAQYDYBDO-UHFFFAOYSA-N 310.246 3.545 0 40 DHAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCOCC1 21531134 TWPMRGKZRZDSNC-UHFFFAOYSA-N 322.364 3.860 0 40 DHAB C[C@@H](NC(=O)N(C)Cc1ccc2ccccc2c1)[C@H]1CCCO1 23143740 QLRPKNHFXBLNQH-RDTXWAMCSA-N 312.413 3.549 0 40 DHAB Cc1ccc(Oc2ccccc2NC(=O)Cn2cccn2)cc1 24941959 HFIMHLKDGFLCLR-UHFFFAOYSA-N 307.353 3.623 0 40 DHAB CCOC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C 26840921 FISYLNMOJDBTSO-UHFFFAOYSA-N 304.346 3.687 0 40 DHAB CN1CCC(OC(=O)c2sc3ccccc3c2Cl)CC1 33005411 CLJRHOCAJDAAAD-UHFFFAOYSA-N 309.818 3.806 0 40 DHAB CCc1ccc(-n2nc3oc4cc(OC)ccc4cc-3c2=O)cc1 33020921 ZGAGQEVCMSAXCH-UHFFFAOYSA-N 320.348 3.655 0 40 DHAB CCOC(=O)c1ccc(-c2ccc(Br)cc2)nc1C 44672201 CWQCMNLDCZKIMV-UHFFFAOYSA-N 320.186 3.996 0 40 DHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 45054411 WWJMMPSEFNOTEJ-CQSZACIVSA-N 323.371 3.845 0 40 DHAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C2CCC2)C1 48313382 CGKXGEHWHBMPTD-HZPDHXFCSA-N 314.473 3.581 0 40 DHAB Fc1ccc2[nH]c([C@H]3CCN(Cc4ccccc4F)C3)nc2c1 49169003 VJFHPDZZWSGWLH-ZDUSSCGKSA-N 313.351 3.831 0 40 DHAB biogenic,in-vitro Clc1ccc(N2CCN(Cc3ccnc(Cl)c3)CC2)cc1 51608627 DNFFEPZVYXHSBW-UHFFFAOYSA-N 322.239 3.711 0 40 DHAB Cc1cccc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)c1 64977484 HYWHNATZHZYILI-UHFFFAOYSA-N 315.376 3.520 0 40 DHAB Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccncc1 69492854 WPHPAWXXBRDJDN-UHFFFAOYSA-N 322.393 3.584 0 40 DHAB COCc1nc(CSc2nccn2-c2ccccc2)cs1 78959428 XJURVOQQJYKRKS-UHFFFAOYSA-N 317.439 3.768 0 40 DHAB Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)nc1 84191508 CKLRQYDRMQHZTD-LJQANCHMSA-N 312.413 3.648 0 40 DHAB Fc1ccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1F 84341289 OEZFDPSUVBMWBQ-ZDUSSCGKSA-N 319.355 3.605 0 40 DHAB CCCN1CCC(N(C)C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 84755293 BDSXXBHKLXTUBO-IAGOWNOFSA-N 306.494 3.558 0 40 DHAB c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccncc2)cc1 96061594 FJTNGGOIOLWPGG-LEWJYISDSA-N 322.452 3.694 0 40 DHAB O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccsc1 96417221 ZOBDFFAFWDZGHP-CYBMUJFWSA-N 320.389 3.730 0 40 DHAB CCc1cnc(CCNC(=O)Nc2cccc3[nH]ccc23)s1 96434448 AJQJRGSVCNTUKP-UHFFFAOYSA-N 314.414 3.551 0 40 DHAB Cc1cc(C)n(CCCNC(=O)Nc2c(C)cccc2Cl)n1 97161895 TWLFBFWYKFHXBS-UHFFFAOYSA-N 320.824 3.674 0 40 DHAB CCOC(=O)c1cnc2c(C(F)(F)F)cc(Cl)cc2c1O 103289222 WJYRPXJEZRVXDG-UHFFFAOYSA-N 319.666 3.789 0 40 DHAB COC(=O)c1cc(Br)cc2c1c(C=O)cn2C(C)C 139982034 TWCUCUFAHMRUFA-UHFFFAOYSA-N 324.174 3.584 0 40 DHAB Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223146804 ZZSGBROYKOMVFH-HNNXBMFYSA-N 309.409 3.740 0 40 DHAB CC(C)NC(=O)c1cc(N)ccc1NC1CCCCCCC1 225496415 UULNZZSQAVGZFQ-UHFFFAOYSA-N 303.450 3.932 0 40 DHAB Cn1c2c(s/c1=N\C(=O)c1ccccc1)CCc1ccccc1-2 409207354 SOCXPLONXNZHKT-VXPUYCOJSA-N 320.417 3.593 0 40 DHAB CCCOc1ccc(CNC(=O)c2ccccc2)cc1OCC 409378603 QILDIMWQZYJSFG-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB COc1cncc(/C=C/CCN2CCC[C@@H]2c2cc(C)no2)c1 568388759 ROONRGPMNPCZRO-ZNNBYXKUSA-N 313.401 3.627 0 40 DHAB O=C(NCc1cc(-c2ccco2)cs1)c1cc(C2CC2)on1 1775967945 GRHZNHBIDSBHQN-UHFFFAOYSA-N 314.366 3.804 0 40 DHAB CCN(CC)Cc1ccc(NC(=O)c2cccc(OC)c2)cc1 568291 VHQTYBCQGXJYIS-UHFFFAOYSA-N 312.413 3.789 0 40 DHAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(F)cc1 581775 QYZSLVVJXPCKAP-UHFFFAOYSA-N 318.373 3.515 0 40 DHAB Cc1cccc(NC(=O)COC(=O)c2ccccc2Cl)c1C 1993401 WIEOWGBRCCPFSY-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB COc1cccc(CNC(=O)C2(c3ccccc3)CCCC2)c1 2512694 NSOHMIVVDCUYQO-UHFFFAOYSA-N 309.409 3.823 0 40 DHAB c1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 3185089 RFVMMSABOJTQPK-UHFFFAOYSA-N 310.426 3.719 0 40 DHAB CC[C@@H](C(=O)Nc1nnc(-c2cccnc2)s1)c1ccccc1 3234375 PFOIQAMXOSVPJM-CQSZACIVSA-N 324.409 3.732 0 40 DHAB CN[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4084113 LXUIGQVHABEBDW-QFHQRVFTSA-N 305.506 3.978 0 40 DHAB biogenic O=C(Cc1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 4671540 AVXQKYDCZXORCA-UHFFFAOYSA-N 317.772 3.683 0 40 DHAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CCCC[C@H]12 4915120 URQRJBGVAYQYGC-HNNXBMFYSA-N 317.816 3.564 0 40 DHAB O=c1nc2n(c3ccccc13)CC/C2=C\c1cccc(Cl)c1 5483812 MXNOVWKCUSVLAC-JLHYYAGUSA-N 308.768 3.994 0 40 DHAB COc1cc(C)c(NC(=O)Cc2ccccc2Cl)cc1OC 5616555 KNKVSUHMAJERAW-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCC1CCCC1 5617278 HBMYAAFBFYCYMQ-ZDUSSCGKSA-N 319.401 3.536 0 40 DHAB O=C(NC[C@H]1CCCO1)/C(=C/c1cccs1)c1ccccc1 5771954 IMSNATLFYGIVGM-YHZJOHHESA-N 313.422 3.584 0 40 DHAB CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccccc1Cl 6305977 BBYXDCLIDZIGCX-ZDUSSCGKSA-N 313.869 3.884 0 40 DHAB COc1ccc(C2=NN=C(N[C@H]3CCCC[C@@H]3C)SC2)cc1 6525477 MCVOAHXIOLNFOZ-WFASDCNBSA-N 317.458 3.670 0 40 DHAB O=C(/C=C/c1nc2ccccc2o1)NCc1ccc(Cl)cc1 6599938 VBFOBYLGYJQCMK-MDZDMXLPSA-N 312.756 3.811 0 40 DHAB CC(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 6967379 DJHUXNANDOMBNI-UHFFFAOYSA-N 306.365 3.791 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)N2c3ccccc3C[C@@H]2C)cc1 7238787 VSJVXQVKLHQJER-KBPBESRZSA-N 322.408 3.667 0 40 DHAB O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1nc2ccccc2s1 9313670 DSZNNXPJQRUMBY-ZIAGYGMSSA-N 316.426 3.529 0 40 DHAB Cc1ccc(CCC(=O)NCCSCc2ccco2)cc1 10334974 LVTVAMYXYUOBCZ-UHFFFAOYSA-N 303.427 3.570 0 40 DHAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2N1 12794297 DODCRNVJKYZGLM-CYBMUJFWSA-N 318.735 3.544 0 40 DHAB Cc1ccc(O)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 12915070 FCDCMCCYHIOZJC-UHFFFAOYSA-N 307.752 3.765 0 40 DHAB CC[C@H](C)C(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 12920118 KFWKJEOSSACLAC-VIFPVBQESA-N 308.378 3.942 0 40 DHAB CCOc1ccc(-c2ncncc2-c2ccccc2OC)c(O)c1 13125503 VYFLFJZMBPKSFZ-UHFFFAOYSA-N 322.364 3.924 0 40 DHAB biogenic Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCCCC2)o1 15255342 FEWNFDYPFKLVPU-UHFFFAOYSA-N 324.384 3.686 0 40 DHAB Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(F)c1 15568968 UHOMJNCWEOMSRK-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)s1 15618842 AAESVYYBGWRSCP-UHFFFAOYSA-N 309.774 3.815 0 40 DHAB COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)NCC2 20028883 YMMCFCFPDSAPLT-KRWDZBQOSA-N 303.789 3.592 0 40 DHAB biogenic COc1cccc(OC)c1/C=C/C(=O)Nc1cc(F)ccc1F 20030303 PODBMDZVJSENMR-VQHVLOKHSA-N 319.307 3.634 0 40 DHAB COC(=O)c1ccoc1CSc1nc2ccccc2nc1C 28191741 DIZKAFIURFHSKP-UHFFFAOYSA-N 314.366 3.610 0 40 DHAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)C2CC2)cc1 28243538 ZGZQZKSUCBZOSW-UHFFFAOYSA-N 309.291 3.548 0 40 DHAB CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21 32690897 DTASYMNYAIJUBZ-QINSGFPZSA-N 307.378 3.572 0 40 DHAB FC(F)(F)c1ccc2sc(NC[C@H]3CCCO3)nc2c1 36722674 DTJMZMVZUUEALL-SECBINFHSA-N 302.321 3.906 0 40 DHAB Cc1cc(C)cc(NC(=O)c2cccnc2Br)c1 41107463 NPNBENYAKVRRLA-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB COc1ccc([C@@H](C)NCc2cnn(C(C)(C)C)c2)c(OC)c1 42926788 LZANOVSWANCXJZ-CYBMUJFWSA-N 317.433 3.506 0 40 DHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 46798470 FLISHRVXIYGNGD-MRXNPFEDSA-N 318.804 3.851 0 40 DHAB Cc1ccc(-c2noc(CSc3ccc(Cl)nn3)n2)cc1 54514141 ZCRAXDIVZXYXKS-UHFFFAOYSA-N 318.789 3.781 0 40 DHAB CSc1ccccc1C(=O)NCc1ccccc1-n1ccnc1 55695923 XZUMESZFRZNYJT-UHFFFAOYSA-N 323.421 3.524 0 40 DHAB CCc1cccc(CC)c1NC(=O)NCc1ccccc1CO 58377977 YWUCQZVVGZCHEU-UHFFFAOYSA-N 312.413 3.625 0 40 DHAB Cc1noc(Cl)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 58415985 VFODBJKHVCAPFY-UHFFFAOYSA-N 322.836 3.654 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 65567535 SMLDQDXAGOCRDL-MRXNPFEDSA-N 324.424 3.641 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)c1 71902849 KDFHCNZHOAJJDT-BBRMVZONSA-N 318.417 3.569 0 40 DHAB CC(=O)N1CCC[C@@H](c2cnc(-c3ccc(Cl)cc3)cn2)C1 72360767 GXGKMIQDZPKSPH-CQSZACIVSA-N 315.804 3.523 0 40 DHAB FC(F)(F)c1ccnc(NC[C@H]2CCO[C@@H]2c2ccccc2)n1 78358109 ZKKLJQUHIQDMOA-TZMCWYRMSA-N 323.318 3.685 0 40 DHAB O=c1ccnc(/C=C/c2ccc(OCc3ccccc3)cc2)[nH]1 78899207 HMZZIERZLSIPQX-DHZHZOJOSA-N 304.349 3.519 0 40 DHAB CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1 79022219 VQNZPUODKZLFIR-UHFFFAOYSA-N 307.349 3.661 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CSc2ccccn2)CC1 79440863 NGZPZDSBKOJWPT-UHFFFAOYSA-N 308.447 3.821 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](CSc2ccccn2)C1 79440869 MCMIWNRZIRETHM-CYBMUJFWSA-N 308.447 3.821 0 40 DHAB Cc1ccc(NC(=O)c2cnc3ccccn23)cc1C(F)(F)F 84177625 JNZJRWFNPFDQJI-UHFFFAOYSA-N 319.286 3.914 0 40 DHAB CCOc1ccc(-c2nc(-c3cccs3)n[nH]2)cc1OCC 85385175 FZEXVYMOVKBVGH-UHFFFAOYSA-N 315.398 3.998 0 40 DHAB CC[C@@H](O)c1scc(Br)c1Br 85391215 FTGRGFHKHRLOLZ-RXMQYKEDSA-N 300.015 3.717 0 40 DHAB CC(C)n1ccc2c(C(=O)N[C@@H]3CCOC(C)(C)C3)cccc21 85879845 MSASIJCEHNYKBF-CQSZACIVSA-N 314.429 3.910 0 40 DHAB biogenic CCOc1cc(CO)c(Cl)cc1OCc1ccc(F)cc1 95095055 ZUBKUXURWJZUIF-UHFFFAOYSA-N 310.752 3.949 0 40 DHAB O[C@@H](c1cc(F)c(F)c(F)c1)c1ccccc1Br 95730121 RVGDDAWTURSKAI-ZDUSSCGKSA-N 317.104 3.948 0 40 DHAB COc1cccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2Cc2ccncc2)c1 100728923 BBTRJBRIOVGVLB-ZWOKBUDYSA-N 324.424 3.522 0 40 DHAB c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cs1 107751972 WMUHCITWGNZEDZ-ROUUACIJSA-N 321.486 3.546 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@]2(c3ccc(Cl)cc3)O[C@H]2C1 114319806 IEKJNOVFRINURO-XJKSGUPXSA-N 309.793 3.575 0 40 DHAB CCc1noc(CC)c1CN[C@@H](C)c1cc(C)ccc1OC 166959407 OEQGNJXRCVYXRJ-ZDUSSCGKSA-N 302.418 3.967 0 40 DHAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(F)c(Cl)c1 222571450 XOAKUONHTXYRBV-UHFFFAOYSA-N 307.756 3.953 0 40 DHAB CC(C)(C)SCCNC(=S)Nc1ccc(F)cc1F 225351031 CUTQMHPZXBIDIG-UHFFFAOYSA-N 304.431 3.783 0 40 DHAB Nc1ccc(N2CCCC2)c(NC(=O)c2cc3ccccc3o2)c1 226255560 SRMNPUZMVNKGOZ-UHFFFAOYSA-N 321.380 3.868 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@]2(c3cccc(Cl)c3)O[C@H]2C1 242425598 BQBTXSZGAQQARH-XJKSGUPXSA-N 309.793 3.575 0 40 DHAB Fc1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)cc1 257341367 ZKANVPBIYWKRRU-SFHVURJKSA-N 322.387 3.744 0 40 DHAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 148400 HBHJORAFYFZCGO-ZHACJKMWSA-N 323.392 3.807 0 40 DHAB COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OC 213457 WAGCSXRWKPQMGC-NTUHNPAUSA-N 315.756 3.850 0 40 DHAB Cc1nc(-c2ccc(NC(=O)c3cccc(F)c3)c(C)c2)no1 1428883 NSWCZLANOGQPRY-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2c(c1)CCC2 3355552 NZWIOJHDIPWNQE-WEVVVXLNSA-N 307.349 3.556 0 40 DHAB Fc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1 4061318 JMGKVXCRGQSKJJ-UHFFFAOYSA-N 313.401 3.762 0 40 DHAB CSc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)S[C@H](C)C2 4108136 KJXODPDOVUZZIB-LLVKDONJSA-N 318.467 3.608 0 40 DHAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)C2CC2)CSC3)c1 4176189 QJKYQYNAMPQMFL-UHFFFAOYSA-N 313.426 3.584 0 40 DHAB O=C1C/C(=C/c2ccc(Cl)cc2)C(=O)N1C1CCCCC1 5324872 QTAXGRPGRHHNNM-RAXLEYEMSA-N 303.789 3.815 0 40 DHAB CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 5525419 QYGOCZHZGFCPTK-UHFFFAOYSA-N 303.189 3.636 0 40 DHAB C[C@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 6443073 JKELYPBAPYPQIK-CYBMUJFWSA-N 314.341 3.872 0 40 DHAB S=C(NCc1ccco1)Nc1cccc(Br)c1 6896256 SDRJDJOSNKJBQH-UHFFFAOYSA-N 311.204 3.529 0 40 DHAB C[C@H]1C[C@@H](C)CN(CC(=O)N[C@@H](C)c2cc3ccccc3o2)C1 7444937 GOERPSNRBVKGSI-ZNMIVQPWSA-N 314.429 3.588 0 40 DHAB CCOc1ncccc1C(=O)N1CCCSc2ccccc21 7780201 CVXVMNMUFMATDL-UHFFFAOYSA-N 314.410 3.623 0 40 DHAB COc1ccc(SCC(=O)N2c3ccccc3C[C@@H]2C)cc1 7789999 BYLWHKDTLZZGNZ-ZDUSSCGKSA-N 313.422 3.765 0 40 DHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(F)c1 7878300 HIEGPIMNPJVHCU-JTQLQIEISA-N 322.380 3.584 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7882139 HTJBLVCEEGJKLM-DOTOQJQBSA-N 322.408 3.543 0 40 DHAB C[C@H](NC(=O)COc1ccccc1F)c1cc2ccccc2o1 7889209 PHFCGDYTWCFATA-LBPRGKRZSA-N 313.328 3.828 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156167 PISNYIZDZWJOBZ-MRXNPFEDSA-N 315.413 3.702 0 40 DHAB Fc1ccc(CCNc2ncnc3sc4c(c23)CCC4)cc1 8177840 DRXXIPIQRXTTBY-UHFFFAOYSA-N 313.401 3.974 0 40 DHAB COc1cccc2cc(C(=O)N3CCc4ccccc4C3)oc12 8960605 CPJCUDQJWYAFLJ-UHFFFAOYSA-N 307.349 3.640 0 40 DHAB CCCc1ccc(NC(=O)c2cc3ccccc3[nH]c2=O)cc1 10895108 WRLMXJPJZCPNBH-UHFFFAOYSA-N 306.365 3.733 0 40 DHAB O[C@H](COC12CC3CC(CC(C3)C1)C2)CSc1ccccn1 11692566 GZKQFYRLPUHOSL-QFQXCOSMSA-N 319.470 3.520 0 40 DHAB Cc1cc(OCCn2c(C=O)nc3ccccc32)ccc1Cl 11735061 NIXVFTBNSFBJTB-UHFFFAOYSA-N 314.772 3.890 0 40 DHAB CCCOc1ccc([C@H](Nc2ccccc2)P(=O)(O)O)cc1 12523575 ODSARMBXMVWRDB-MRXNPFEDSA-N 321.313 3.764 0 40 DHAB O=C(NCc1ccccn1)c1ccccc1Nc1ccccc1 12538246 LSYOTNHPAHBDCO-UHFFFAOYSA-N 303.365 3.755 0 40 DHAB Cc1ccn2cc(C(=O)N[C@H]3CCSc4ccccc43)nc2c1 12556754 BAZFBLQCDZWLKO-AWEZNQCLSA-N 323.421 3.610 0 40 DHAB Cn1ccc(Nc2nc(-c3cccs3)nc3ccccc23)n1 12798564 IRDPFXHWQGVDFE-UHFFFAOYSA-N 307.382 3.835 0 40 DHAB CCC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 13012877 BPJNWCNVTJLBKW-ZDUSSCGKSA-N 313.372 3.975 0 40 DHAB O=C(O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 13166468 MYDXOEHKEQDXBI-UHFFFAOYSA-N 309.243 3.656 0 40 DHAB O=C(Nc1n[nH]c2cc(-c3cccc(F)c3F)ccc12)C1CC1 13538610 BONMYDUTHDSTHA-UHFFFAOYSA-N 313.307 3.857 0 40 DHAB CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1 13661651 IGIKEBQUAYICND-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 13710321 KSIPBCXCYCHCQT-INIZCTEOSA-N 309.409 3.656 0 40 DHAB Cc1c(Cl)cccc1NCc1cc(=O)n2c(C)csc2n1 15290609 UEEXRLRQDLRUDB-UHFFFAOYSA-N 319.817 3.638 0 40 DHAB CSc1ccc([C@@H](C)NC(=O)Cc2cccc(F)c2)cc1 19934996 OXULYXHJHFBOMT-GFCCVEGCSA-N 303.402 3.968 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccccc1 26754564 DZTOLFTWRJJYKS-KGLIPLIRSA-N 301.361 3.513 0 40 DHAB CC(=O)Nc1nc(CN[C@@H](c2ccccc2)C(C)C)cs1 29197574 KARVBFRXXMLZNH-OAHLLOKOSA-N 303.431 3.588 0 40 DHAB CCCCSc1nnc(COc2ccc(Cl)cc2)n1C 32745232 SLLYGVZFTTXQRQ-UHFFFAOYSA-N 311.838 3.940 0 40 DHAB C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@]21CC 35645888 WWYNJERNGUHSAO-RZTRGMPVSA-N 312.453 3.883 0 40 DHAB Cc1ccccc1NCCC(=O)NCCc1c[nH]c2ccccc12 40159386 IOCAPUPUPQLJMT-UHFFFAOYSA-N 321.424 3.637 0 40 DHAB O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1Cl 45859981 TYQCTHBRCOHOTN-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB COCc1ccccc1NCC(=O)Nc1cccc(Cl)c1 48442776 GGAXZDXSOQLVPM-UHFFFAOYSA-N 304.777 3.537 0 40 DHAB S=C(NCCCOC1CCCC1)Nc1ccccc1Cl 57815618 VZNWYZCRQYOWLU-UHFFFAOYSA-N 312.866 3.976 0 40 DHAB COc1cccc(CCn2ccnc2[C@H]2CCOC(C)(C)C2)c1 67588597 CIZXTJMGFMLFND-INIZCTEOSA-N 314.429 3.807 0 40 DHAB CC(C)c1noc([C@@H](C)N2CCc3[nH]c4ccccc4c3C2)n1 69772015 UYRYIPGTKLVGAF-GFCCVEGCSA-N 310.401 3.794 0 40 DHAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 71870851 CPMBBYFRJYUIEL-HZPDHXFCSA-N 301.434 3.526 0 40 DHAB CCOc1ccc(-c2cc(-c3cccc(F)c3)nc(N)n2)cc1 71977784 BJHNPESNEFMJQL-UHFFFAOYSA-N 309.344 3.931 0 40 DHAB C[C@H](OC(=O)c1sccc1Br)c1ccccn1 73527527 JCIRHZKNMOAQKQ-QMMMGPOBSA-N 312.188 3.824 0 40 DHAB CN(CC(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F 75139323 UKSZXFOZEZLGDF-UHFFFAOYSA-N 300.202 3.731 0 40 DHAB COc1ccc(C(=O)N(C)C)cc1NCc1ccc(Cl)s1 79016599 GOCXQWRNPKGHAL-UHFFFAOYSA-N 324.833 3.724 0 40 DHAB Oc1[nH]c(=S)nc2c1cnn2-c1ccc(-c2ccccc2)cc1 85398004 LWOBCMULXUMXMB-UHFFFAOYSA-N 320.377 3.851 0 40 DHAB Cc1oc(-c2ccco2)nc1COc1nnc(-c2ccccc2)o1 89548177 QKTHADZEYYOYBJ-UHFFFAOYSA-N 323.308 3.872 0 40 DHAB CO[C@@H](C)c1cccc(NCc2nnc(-c3ccccc3)n2C)c1 90371505 DRPOBZBWEOTKJU-AWEZNQCLSA-N 322.412 3.802 0 40 DHAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)c1ccncc1 91842318 RHHZDEQVKUGGNC-MSOLQXFVSA-N 308.425 3.588 0 40 DHAB Cc1cc(O)c2c(n1)N(c1ccc(OC(F)(F)F)cc1C)CC2 95096599 XAUBBSQYWHCLDW-UHFFFAOYSA-N 324.302 3.997 0 40 DHAB C[C@@H](CCn1cccn1)N[C@H](C)c1cccc(Br)c1 95996212 KAOMJMHNIJXKMG-QWHCGFSZSA-N 322.250 3.775 0 40 DHAB CCC(CC)(CC(=O)OC)NC(=O)Nc1c(C)cc(C)cc1C 96013167 QSRMVLUVYAJFQI-UHFFFAOYSA-N 320.433 3.855 0 40 DHAB O=[S@](CCc1ccccc1)Cc1ccc(OC(F)F)cc1 96404389 BXUJWHUOCCXHOB-NRFANRHFSA-N 310.365 3.779 0 40 DHAB CCCC[S@@](=O)Cc1cn2cc(Cl)cc(Cl)c2n1 97083688 CHJFPVWNZCZVLM-SFHVURJKSA-N 305.230 3.690 0 40 DHAB O=C(O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 110069748 OSRLVTWYSJIARO-UHFFFAOYSA-N 319.364 3.720 0 40 DHAB Cc1cc(Br)ccc1-c1ncn([C@@H]2CCCCO2)n1 113925863 LATBONJJTYBHKN-ZDUSSCGKSA-N 322.206 3.715 0 40 DHAB O=C(CCc1ccccc1F)NCCSCc1ccccc1 224339319 SUYSVQMIIYDIFA-UHFFFAOYSA-N 317.429 3.808 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccoc1)c1ccc(Cl)s1 225704742 ANBSZHVZVZCGRS-XGQHYKRYSA-N 311.790 3.512 0 40 DHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225794476 VOJGMJCZAYPNHI-AWEZNQCLSA-N 319.323 3.858 0 40 DHAB CC(C)n1cccc1CNC(=O)c1ccc2oc(Cl)nc2c1 225984361 FUDKHZRWNKFDMG-UHFFFAOYSA-N 317.776 3.794 0 40 DHAB Cc1ccnc(NC(=O)CCCn2cc(-c3ccccc3)cn2)c1 227165325 RIBJBBHYAPFIAV-UHFFFAOYSA-N 320.396 3.672 0 40 DHAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257219462 DGWLMXHGRALNAM-FXJWEYNDSA-N 317.429 3.553 0 40 DHAB O=C(O)c1cc(-c2ccccc2OC[C@@H]2CCOC2)ccc1F 579853325 MGRFKWUKXDEWBK-GFCCVEGCSA-N 316.328 3.606 0 40 DHAB Cc1nc(C)c(C(=O)N2CCS[C@@H]2c2ccccc2)s1 585463340 WPHCMZFOFUYTQB-OAHLLOKOSA-N 304.440 3.648 0 40 DHAB C[C@H](N[C@H]1COCC[C@@]1(O)/C=C\c1ccccc1)c1ccccc1 1547139785 SRTUKJZRWWXNMC-MNZQURGVSA-N 323.436 3.571 0 40 DHAB Cc1cccc2[nH]c(CNCc3ccccc3-n3cccn3)cc12 1560401071 KJSSXMCBTKGBKV-UHFFFAOYSA-N 316.408 3.952 0 40 DHAB FC(F)(F)c1ccnc(N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)n1 1776009439 LMALYAAJVUYSBA-STQMWFEESA-N 309.335 3.963 0 40 DHAB Cc1ccc(C(=O)c2cn(CC3CC3)c3ccccc3c2=O)cc1 1889053485 LSHMZKXJOUSBFC-UHFFFAOYSA-N 317.388 3.951 0 40 DHAB CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccccc1)SCC2 213941 UWXVMIBCJRNBBP-NSHDSACASA-N 318.467 3.771 0 40 DHAB CCCC(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 569313 DXUWDTIDCYINPT-UHFFFAOYSA-N 313.835 3.563 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccccc1 2440119 YOAFTOQFXYYSAL-UHFFFAOYSA-N 321.376 3.917 0 40 DHAB CCCCNC(=O)Nc1nc(SCc2ccccc2)ns1 2640212 VAMKTBHZWIZLSE-UHFFFAOYSA-N 322.459 3.752 0 40 DHAB CCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21 2721478 PIAHQVKFRYPLSD-UHFFFAOYSA-N 321.424 3.727 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 4163011 ZZOOIFZPPGIYAC-UHFFFAOYSA-N 320.392 3.788 0 40 DHAB CC(=O)Nc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 5148970 MUARWOHBKQINKI-UHFFFAOYSA-N 312.413 3.800 0 40 DHAB O=C(NC/C=C\Br)Oc1cccc2ccccc12 5179300 YBQHXZYFNQJVSL-WTKPLQERSA-N 306.159 3.837 0 40 DHAB CSc1ncccc1C(=O)Nc1nc2ccccc2s1 5855755 RYOZFFJPKYIKHZ-UHFFFAOYSA-N 301.396 3.666 0 40 DHAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 6880660 IUNMEJTVZRKJBZ-LSDHHAIUSA-N 301.386 3.590 0 40 DHAB CC[C@H](NC(=O)COc1ccccc1OC)c1ccc(C)cc1 7792588 SAAAFZZBSCEBGE-INIZCTEOSA-N 313.397 3.650 0 40 DHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 8048500 LWYUSPWIWFNLMM-HNNXBMFYSA-N 315.438 3.774 0 40 DHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C 9061969 VOXGWIASDZJJHN-JTQLQIEISA-N 322.257 3.865 0 40 DHAB CCCC(=O)NC(=S)Nc1nc2c(C)ccc(C)c2s1 9140738 IQHLIIONMVQFBK-UHFFFAOYSA-N 307.444 3.526 0 40 DHAB O=C(c1ccccc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503826 ACYIZFYZKFQQJU-CYBMUJFWSA-N 323.371 3.722 0 40 DHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nccs1 11326662 FBLOROJALGMJDH-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB Fc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2)cc1 12085369 VQWMKTDYCZUVSX-KVSKMBFKSA-N 312.388 3.653 0 40 DHAB C[C@H](Cc1cccs1)NC(=O)Cn1ccc2ccc(F)cc21 12148655 COBCKTAITRMQJD-GFCCVEGCSA-N 316.401 3.589 0 40 DHAB CCc1cc(NCc2ccco2)n2nc3nc(C)cc(C)c3c2n1 12186265 ZXRWUZRDIXOOGE-UHFFFAOYSA-N 321.384 3.662 0 40 DHAB CSCC[C@@H](N)c1nc2ccccc2n1Cc1ccccc1 12602676 JOVPURHSOZNSAD-OAHLLOKOSA-N 311.454 3.838 0 40 DHAB in-vitro CC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(OC)c(Cl)c1 14135757 QOEHKQMUPTUOHK-OAHLLOKOSA-N 313.781 3.568 0 40 DHAB CCCCCOc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 15931384 LWPLWZAYWWMXFB-IAGOWNOFSA-N 313.397 3.711 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1F 19476977 KKSOLFCPPPZFIY-NOZJJQNGSA-N 314.198 3.897 0 40 DHAB CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1 19798464 LJHWMEFOWPATJQ-UXHICEINSA-N 323.436 3.855 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1C 22655410 IPPWCVQXHTXLCA-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB O=C(Nc1ccccc1NC(=O)C1CC1)c1ccc(Cl)cc1 24644993 OAPDWJURWMTBJA-UHFFFAOYSA-N 314.772 3.941 0 40 DHAB C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1cccs1 25176334 OTRNXRKCPFGRKY-LLVKDONJSA-N 314.410 3.588 0 40 DHAB Cc1cccc(C(=O)N[C@H](C)c2cccc(Br)c2)n1 27734647 WBOFMFXJABSGHY-LLVKDONJSA-N 319.202 3.644 0 40 DHAB O=C(NC1CC1)c1ccccc1SCc1cn2ccccc2n1 28272984 QXRKTJBSUVJUJQ-UHFFFAOYSA-N 323.421 3.519 0 40 DHAB CCOc1ccccc1C(=O)Nc1cc(C)nn1C1CCCC1 32610565 YZUMWPWPUDOJCC-UHFFFAOYSA-N 313.401 3.958 0 40 DHAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)O)c1 37590934 UMAZUZKFAANNOG-UHFFFAOYSA-N 308.696 3.821 0 40 DHAB Cc1nnc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)s1 43406784 SLEMYFUUDGWLAB-GFCCVEGCSA-N 322.459 3.961 0 40 DHAB Cc1cc(CN(C)C(=S)Nc2ccc3ccccc3c2)no1 44136667 OZNXRCRKOONOSE-UHFFFAOYSA-N 311.410 3.965 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)C1(c2ccc(F)cc2)CCC1 48254030 NONNHVBQDWJGQT-UHFFFAOYSA-N 317.389 3.615 0 40 DHAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@H](C)C3CC3)cc12 48302906 OILOIVUTEGWGCO-GFCCVEGCSA-N 319.474 3.933 0 40 DHAB Nc1cccc(Cl)c1NC(=O)c1ccc(Br)o1 50352308 BTGROWQRXTWJJD-UHFFFAOYSA-N 315.554 3.530 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1c1ccc(F)cc1 55506502 SFWUABOBSKXHPT-RVKKMQEKSA-N 318.436 3.752 0 40 DHAB CN1C(=O)Cc2cc(-c3csc(-c4ccccc4O)n3)ccc21 65515438 CHOBLEZWSVCORR-UHFFFAOYSA-N 322.389 3.702 0 40 DHAB O=C(Cc1cccc(Cl)c1)N1C(=O)OC[C@@H]1c1ccccc1 66323457 DFFGUPIVHPCCGK-OAHLLOKOSA-N 315.756 3.603 0 40 DHAB O[C@@H](CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1 66347442 TXPGHNBEYSULQU-NSHDSACASA-N 322.386 3.763 0 40 DHAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(C)s1 68964886 OZCHWADEUYZAHU-UHFFFAOYSA-N 312.398 3.656 0 40 DHAB O=C(c1cccnc1)N(Cc1ccncc1)CC1CCCCC1 69588475 AKOSGDBIYAPURT-UHFFFAOYSA-N 309.413 3.699 0 40 DHAB Cc1cc(C[S@@](=O)Cc2csc(C3CCCCC3)n2)no1 69810101 VJBDJXWCXRXHQB-NRFANRHFSA-N 324.471 3.936 0 40 DHAB Cc1ccc2oc(C(=O)N3CCC[C@@H](n4ccnc4C)C3)cc2c1 69872707 PYTCSXPWJCMCNL-MRXNPFEDSA-N 323.396 3.723 0 40 DHAB C[C@@H](CC(=O)NCCc1coc(-c2ccc(F)cc2)n1)C1CC1 71185245 OSMLLESXBYTKOO-LBPRGKRZSA-N 316.376 3.576 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccc(F)c(C)c2)c1 71760596 IRQQEMSTJUXUTM-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cn2ccccc2n1 71828135 FSDCVPAXIGDQOI-GOSISDBHSA-N 320.396 3.557 0 40 DHAB CCCc1nc([C@@H](NC(=O)c2ccccc2)c2ccccc2)no1 71914369 QFFGXDALEAGWQA-KRWDZBQOSA-N 321.380 3.542 0 40 DHAB CCCNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213191 PQJHBAMRBNIOEK-AWEZNQCLSA-N 305.422 3.976 0 40 DHAB CC[C@@H](NC(=O)c1cnc(C(C)(C)C)s1)c1ccncc1 72295355 YFIZRFQWXNVEQW-GFCCVEGCSA-N 303.431 3.717 0 40 DHAB O=C(O[C@H](c1ccccc1)c1ccncc1)c1cc(C2CC2)on1 75125951 SROVOWAEQDRQBK-GOSISDBHSA-N 320.348 3.893 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)O[C@H](C1CC1)C(F)(F)F 79063118 CTTMXOPLPBIDKP-OAHLLOKOSA-N 311.303 3.985 0 40 DHAB O=S(=O)(c1ccc(Br)c2ccccc12)C(F)F 85391183 XGYMZLGJYNKPSL-UHFFFAOYSA-N 321.142 3.599 0 40 DHAB COC[C@H]1CCCN(Cc2cnc(-c3ccsc3)s2)C1 93337739 NFSXFIMJOOWEEU-LBPRGKRZSA-N 308.472 3.730 0 40 DHAB CCOc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1C 95095770 FAAWMSUMDTWZEP-UHFFFAOYSA-N 316.382 3.777 0 40 DHAB C[C@H](CC1CC1)N[C@H]1CCCN(c2ccccc2Cl)C1=O 95962415 HNWHHWQPFVWOJM-DOMZBBRYSA-N 306.837 3.614 0 40 DHAB COc1c(C)cc(CN(C)C(=O)c2cccc(O)c2C)cc1C 95978448 WMTHTYVHYBWCME-UHFFFAOYSA-N 313.397 3.598 0 40 DHAB C/C(=C\C(=O)N1CCC[C@H]1c1cc(C)on1)c1ccc(F)cc1 96291642 UONXCUTZAFJTHB-JICACKBISA-N 314.360 3.889 0 40 DHAB O=C(Nc1ccc(CCO)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 96403188 RCYZBRQNLWOWSR-OLZOCXBDSA-N 315.335 3.529 0 40 DHAB O=C(O)[C@@H]1CCC(=O)N(CC2CCCCC2)[C@H]1c1ccccc1 96515690 UDKZQAXBWITURQ-AEFFLSMTSA-N 315.413 3.631 0 40 DHAB Cc1ccc(SC2(CNC(=O)[C@@H]3CCOC3)CCCC2)cc1 97012503 JTKJSYWHEXGBFR-OAHLLOKOSA-N 319.470 3.553 0 40 DHAB O=c1c2ccccc2[nH]c(=S)n1Cc1ccc(Cl)cc1 100071927 DVWVZXIDBCWYLW-UHFFFAOYSA-N 302.786 3.761 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 104803829 FPZOOMMOUIQVJK-MXSMSXNCSA-N 313.441 3.899 0 40 DHAB C[C@]1(O)CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913918 XLHAVSYGJGEONL-SAHLWMROSA-N 318.457 3.528 0 40 DHAB biogenic,in-vitro CCc1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc1 216721309 ZSDYIBXAKOAHKG-UHFFFAOYSA-N 323.348 3.621 0 40 DHAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1Cl 224240716 SMKTWFKHSNQGHE-UHFFFAOYSA-N 315.800 3.937 0 40 DHAB COc1ccc(C(=O)N2CCS/C2=C/c2cccs2)cc1 225233485 ONWBRVQIBSHRSV-RVDMUPIBSA-N 317.435 3.944 0 40 DHAB COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1C 225610475 KGFXXQXBSJPSLJ-UHFFFAOYSA-N 301.411 3.907 0 40 DHAB CCO[C@@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@@H](C)C1 225716830 AVGIGBUIXPXZQO-ACJLOTCBSA-N 305.418 3.928 0 40 DHAB Cc1ccsc1C(=O)N1CCC[C@H]1CCc1ccncc1 257273503 NGVYQKHGHXRNOK-HNNXBMFYSA-N 300.427 3.689 0 40 DHAB O=C(CCc1ccc(Cl)cc1)N1CCCC[C@@H]1c1ccn[nH]1 257309311 UAKJOXWNMDQETJ-MRXNPFEDSA-N 317.820 3.750 0 40 DHAB CC(C)n1cc(Br)c(COCCC(F)(F)F)n1 408716290 LBHYIVULMFDIEG-UHFFFAOYSA-N 315.133 3.696 0 40 DHAB O=C(CSc1ccccc1)NCCSC1CCCCC1 409027141 AQTFSGFVICJIFB-UHFFFAOYSA-N 309.500 3.961 0 40 DHAB COc1ccccc1-c1nnc(CO[C@H]2CCC[C@H](C)C2)o1 521393851 XVONGWYEGAKBDE-STQMWFEESA-N 302.374 3.841 0 40 DHAB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1 564649423 QRGAEWUNXZTFLB-BZPMIXESSA-N 317.385 3.547 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1ccc(SC(F)(F)F)cc1 575360525 FQMXTOBOJFKUHH-UHFFFAOYSA-N 306.305 3.823 0 40 DHAB O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1ccccc1 78111 CMYBPWJIHAYXGS-UHFFFAOYSA-N 301.367 3.577 0 40 DHAB COc1ccccc1-c1nnc2sc(-c3ccc(C)cc3)nn12 533299 XHVQRCIOQARTPA-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB C[C@H](NCCCSc1ccccc1)[C@@H](O)c1ccc(O)cc1 1565066 KNPDZXNZIJNVNH-KBXCAEBGSA-N 317.454 3.586 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc3ccccn23)cc1C 2637880 GGPJSYIIDHAOJB-CYBMUJFWSA-N 311.410 3.710 0 40 DHAB O=C(NCCOc1ccc(Cl)cc1)c1ccccc1Cl 3059080 NWLCEKWJAQUCLQ-UHFFFAOYSA-N 310.180 3.802 0 40 DHAB C[C@@H]1CCc2nc(-c3cc4ccc(O)cc4oc3=O)sc2C1 3168759 LHQJCMABASVDMR-SECBINFHSA-N 313.378 3.747 0 40 DHAB CN(C)C(=S)SCC(=O)Nc1ccc(Cl)cc1Cl 3447819 UJLZPCLUHVKGSK-UHFFFAOYSA-N 323.270 3.512 0 40 DHAB O=C(c1cccc(F)c1)N1CCN=C1SCc1ccccc1 4119807 IDDVAQYVXAFQKN-UHFFFAOYSA-N 314.385 3.571 0 40 DHAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1 7976190 LJFXUDLTMLELEB-UHFFFAOYSA-N 320.751 3.732 0 40 DHAB O=C(O[C@H]1CCCCC1=O)c1ncc(Cl)c(Cl)c1Cl 8075298 OOMJQIPRQKIBFJ-QMMMGPOBSA-N 322.575 3.710 0 40 DHAB CCCc1nnc2sc(-c3ccccc3Br)nn12 8391986 CCQJIBIVJCGOLC-UHFFFAOYSA-N 323.219 3.568 0 40 DHAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)on2)c1 9726018 LWHKNFJEWSMJDL-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB Cc1ccc([C@H]2C[C@H](c3ccccc3C)n3nc(N)nc3N2)cc1 12469306 ZVZGXJRCSKRLIN-IAGOWNOFSA-N 319.412 3.623 0 40 DHAB aggregator COc1ccccc1NC(=O)NC1CCC(C(F)(F)F)CC1 12777215 CLVAXADOKBYUNK-UHFFFAOYSA-N 316.323 3.938 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Cc1c(Cl)cccc1Cl 12913690 MYPAZEIBOAACEA-GHMZBOCLSA-N 315.244 3.830 0 40 DHAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1C 12939717 WFHXPVXAIVMAOI-UHFFFAOYSA-N 311.381 3.646 0 40 DHAB Cc1cc(C)cc(NC(=O)c2cnn(Cc3ccccc3)c2)c1 14795282 NUNSGQQNDWZJGX-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CCc1nnc2c3ccccc3nc(Nc3cccc(F)c3)n12 15728344 JWJCWGISISRSPD-UHFFFAOYSA-N 307.332 3.723 0 40 DHAB CCN1C(=O)Cc2cc(NC(=O)c3ccccc3Cl)ccc21 17288918 BRVZNZUIVURMLC-UHFFFAOYSA-N 314.772 3.501 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)c1 19736493 IXYXDBMGFARHCG-GFCCVEGCSA-N 318.804 3.945 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Br)c2)c(O)c1 19807271 BOIXLICNNJHNOT-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB COc1ccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)cc1 21524367 IHRGSBMCMLXCRV-UHFFFAOYSA-N 322.364 3.839 0 40 DHAB CCn1c(NC(=O)c2cc(Cl)ccc2O)nc2ccccc21 21592535 YZPQWLAVKPQDLY-UHFFFAOYSA-N 315.760 3.668 0 40 DHAB CC(=O)Nc1ccc(N[C@H](C)c2nc(C(C)C)no2)cc1C 26994469 CRIQWMRTVQAQDL-LLVKDONJSA-N 302.378 3.633 0 40 DHAB CC(C)c1noc([C@H](C)N(C)Cc2nc3ccccc3s2)n1 27809237 WBMWAUUMGFDRHV-NSHDSACASA-N 316.430 3.996 0 40 DHAB COc1ccccc1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 32097408 PLRTUEAVGKMTAZ-UHFFFAOYSA-N 320.392 3.981 0 40 DHAB Cc1nc2ccc(C(=O)N[C@H]3CCCc4occc43)cc2nc1C 32771128 PGFOROLFXJBVJL-HNNXBMFYSA-N 321.380 3.647 0 40 DHAB CCOC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1 40049532 NVXJNSIJVMBRGZ-IUODEOHRSA-N 304.390 3.564 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)ccc1Cl 40296120 DMNKPTOPTGPUSN-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB COc1ccccc1CC(=O)N(C)[C@@H](C)c1ccccc1F 45191180 KANFYHAOMKBYNM-ZDUSSCGKSA-N 301.361 3.596 0 40 DHAB CC(C)CNC(=O)Nc1cccc(COCc2ccco2)c1 47602570 GCRUSCVYBYLILX-UHFFFAOYSA-N 302.374 3.774 0 40 DHAB CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(C)no2)s1 48260745 CFYJBBNVDBFWCI-LBPRGKRZSA-N 319.430 3.678 0 40 DHAB Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(C)nc3)CC2)c1 55709235 LBHPXPSBBOQVQH-UHFFFAOYSA-N 324.424 3.690 0 40 DHAB Cc1ccc(-c2noc(-c3cn(C)c4ccccc4c3=O)n2)cc1 57354770 COZBZHXDCJJFGX-UHFFFAOYSA-N 317.348 3.564 0 40 DHAB O=[S@](CCCOc1ccc(F)cc1)Cc1ccccc1F 58131569 PQGSCGMYWIVNBG-NRFANRHFSA-N 310.365 3.683 0 40 DHAB Cc1cccc2c1N(C(=O)c1cc(=O)c3ccccc3o1)CCC2 58356890 RIWLBWROSWKGJG-UHFFFAOYSA-N 319.360 3.694 0 40 DHAB Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(C)o2)n1 60543452 VOUUOLXCXMKGQV-UHFFFAOYSA-N 304.293 3.562 0 40 DHAB CCN(C(=O)Nc1cccc(NC(=O)OC)c1)[C@H](C)C(C)C 65413010 FSVSAQRIBSGUJG-GFCCVEGCSA-N 307.394 3.763 0 40 DHAB Cc1occc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 65578546 PUWULXFFMLDBAM-UHFFFAOYSA-N 324.384 3.719 0 40 DHAB CC(C)[C@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 68237849 HJACGSMWTFXTNR-INIZCTEOSA-N 321.380 3.864 0 40 DHAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C1CCC1 68822299 QVDRQSUOAGEQLA-ZDUSSCGKSA-N 314.429 3.606 0 40 DHAB CC(C)N(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 69559728 GCWQBOKMADVUNW-CVEARBPZSA-N 317.820 3.619 0 40 DHAB CCCCC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 69739321 UJTLRAPLWYGYPP-UHFFFAOYSA-N 315.373 3.655 0 40 DHAB Cc1ccc(-c2nc(CN[C@@H](C)[C@H](C)n3cccn3)cs2)o1 69921822 OGXNPVGQKCTXQJ-STQMWFEESA-N 316.430 3.647 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2cc(F)ccc2C)cc1 71761584 QRCLOXMZELRSEP-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB Cc1cc(C(=O)NCC[C@@H](O)c2cccc3ccccc23)c(C)o1 77116378 CFLAPMAOSOAALQ-LJQANCHMSA-N 323.392 3.903 0 40 DHAB C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(-c2cccnc2)cc1 81018047 OUDCNALDOGUFNN-KXBFYZLASA-N 324.424 3.885 0 40 DHAB COC(=O)Nc1ccccc1OCc1ncc(C(C)(C)C)o1 84284687 KFZFLNFTIYKNRJ-UHFFFAOYSA-N 304.346 3.729 0 40 DHAB CC(C)Oc1cccnc1C(=O)OCc1ncc(C(C)(C)C)o1 85989715 RYVBMPOHRKPHLF-UHFFFAOYSA-N 318.373 3.511 0 40 DHAB Nc1ncccc1-c1nc(-c2ccc(Cl)cc2Cl)no1 89263296 QJPCMNAAODZSIA-UHFFFAOYSA-N 307.140 3.688 0 40 DHAB O=C(NCc1ccccn1)N1C[C@H]2CCCC[C@]21c1ccccc1 91531749 YPSNSUJUJHCIFI-XLIONFOSSA-N 321.424 3.693 0 40 DHAB Cc1noc(C)c1CN(C)Cc1ccc(Oc2cnccn2)cc1 91812852 SKFQHYVBLWNGMS-UHFFFAOYSA-N 324.384 3.506 0 40 DHAB Cc1ccc2c(c1)OCCC[C@@H]2NCc1cn2ccsc2n1 95421014 DKDYGUPFDBDFQO-HNNXBMFYSA-N 313.426 3.708 0 40 DHAB CC(C)(C)OC(=O)N1c2ccc(Cl)cc2[C@H]2CNCC[C@@H]21 95635406 IZHFFHWVHONBQY-OCCSQVGLSA-N 308.809 3.541 0 40 DHAB CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(CC)s1 95969213 NNYNWSWCPRHXCT-AAEUAGOBSA-N 304.463 3.650 0 40 DHAB c1cc(CN2CCc3c(COCC4CC4)cncc3C2)cs1 96189395 YQKFOTOKHHSEKL-UHFFFAOYSA-N 314.454 3.628 0 40 DHAB CC(C)n1c(C(=O)N2CCCC2)cc2c1c1ccccc1n2C 96264168 WSBHEJKBNMVFKD-UHFFFAOYSA-N 309.413 3.950 0 40 DHAB CC(=O)c1ccc(NC(=O)NCCC[C@@H]2CCCCO2)cc1C 97138348 PECDWVMWPBXBLO-INIZCTEOSA-N 318.417 3.668 0 40 DHAB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 100744481 ASDQMGPJYCIRJK-INTQDDNPSA-N 312.196 3.919 0 40 DHAB O=C1C[C@]2(C[C@@H]3C=C[C@@H]2C3)C(=O)N1c1cc(Cl)cc(Cl)c1 136358650 MYGHKFZMGWTNIN-LYGAQUJYSA-N 322.191 3.839 0 40 DHAB C[C@@H](NCc1cccc(COC2CCOCC2)c1)C1(C)CC1 162669923 WFDWSPLRHFTVMI-OAHLLOKOSA-N 303.446 3.660 0 40 DHAB CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 169763798 ZTBMOOKXITVSAM-JSJNYSNDSA-N 309.409 3.805 0 40 DHAB c1ccc2c(CNc3nnc([C@H]4CCCO4)o3)csc2c1 181968851 HSJSXDBCYKEBAQ-GFCCVEGCSA-N 301.371 3.748 0 40 DHAB Cc1ccccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222556974 SAEGZKMOOHJDEP-XKQJLSEDSA-N 309.438 3.979 0 40 DHAB Cc1ccc(CCCNC(=O)COc2cccc(C)c2C)cc1 222818509 VRPVGVSGDODGSN-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB O=C(COc1cccc2c1CCCC2)NCCC1=CCCCC1 223503460 FGAIGDOLQCGHIH-UHFFFAOYSA-N 313.441 3.951 0 40 DHAB CCCN(CCCC(=O)O)c1ccc(Br)cc1 224990224 KCSKASXGVMOJMM-UHFFFAOYSA-N 300.196 3.530 0 40 DHAB CCc1ccc(CC(=O)NCCSC2CCCCC2)cc1 225882592 XVMLJMXKTCNBMO-UHFFFAOYSA-N 305.487 3.974 0 40 DHAB CN(C)c1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 226261237 UFAKTTYIHFGFTK-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB Cc1cccc(-c2nc(CO[C@H]3CCCC[C@@H]3C)no2)c1O 333111031 XOOQNRKCQDLWGW-FZMZJTMJSA-N 302.374 3.846 0 40 DHAB O=C(Nc1ccc(-c2cncnc2)cc1)[C@H]1CCCC(F)(F)C1 548848619 QOENCJPODGLCMF-ZDUSSCGKSA-N 317.339 3.908 0 40 DHAB CC[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2)c1ccccc1 1565520022 BSUWPTSJSXYEPY-JENIJYKNSA-N 323.440 3.771 0 40 DHAB C[C@@H]1c2ccccc2CN1C(=O)[C@@]1(C)OCCc2ccccc21 1586996935 UVQLBIZLJWGRPX-VLIAUNLRSA-N 307.393 3.578 0 40 DHAB CO[C@]1(COc2ccccc2C)CCN(C2CCCCC2)C1 1615140054 AUZLAJGWABCHSA-LJQANCHMSA-N 303.446 3.797 0 40 DHAB O=C(CN1CCc2ccccc21)Nc1ccc(Cl)c(Cl)c1 49047 UOYWWQUADMSTBX-UHFFFAOYSA-N 321.207 3.995 0 40 DHAB CCc1cc(=O)oc2cc(O[C@H](C(=O)O)c3ccccc3)ccc12 487751 IDEUMEFGSLGUHU-SFHVURJKSA-N 324.332 3.560 0 40 DHAB biogenic CCNc1ncnc2sc(SCc3ccccc3)nc12 1640553 TYWNEWUDTLNZRS-UHFFFAOYSA-N 302.428 3.810 0 40 DHAB Cc1cc(CCCCCCc2cc(C)cc(=O)o2)oc(=O)c1 2170427 LGJZTXLFBJAXGB-UHFFFAOYSA-N 302.370 3.555 0 40 DHAB Cc1cc(C)c(OC[C@H](O)CN[C@@H](C)c2ccccc2)c(C)c1 3194183 CITKQVBWORSVBS-PKOBYXMFSA-N 313.441 3.702 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)cc1C 3588319 GNRRPKIHMGHZRI-UHFFFAOYSA-N 300.377 3.513 0 40 DHAB COc1cc2occc2c(OC)c1C1=NN[C@H](c2ccccc2)C1 3851089 VBXVRYAJXBGWLU-AWEZNQCLSA-N 322.364 3.889 0 40 DHAB biogenic O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 4019013 XGMHHHZFXMTSJH-XXHBBNRNSA-N 310.180 3.529 0 40 DHAB CCC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(C)c1 4107602 WGYXPTICMYKQFA-QGZVFWFLSA-N 308.381 3.763 0 40 DHAB COc1ccccc1NC(=O)CSc1c[nH]c2ccccc12 4108477 ZHNXELSKOQIUFZ-UHFFFAOYSA-N 312.394 3.907 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1OCC 4691125 BIQFVRQZNQKCDC-UHFFFAOYSA-N 320.776 3.785 0 40 DHAB CCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6078149 UGAYQFLDCBBJPG-UHFFFAOYSA-N 313.445 3.685 0 40 DHAB CC[C@H](OC[C@@H](O)CN(C)C1CCCCC1)c1ccccc1 6355960 ZYEJBRMTHITMNI-OALUTQOASA-N 305.462 3.780 0 40 DHAB Clc1ccccc1-c1noc(CSc2nncs2)n1 7180492 KJOXZSVWQBWNBF-UHFFFAOYSA-N 310.791 3.534 0 40 DHAB CCc1ccc(OCC(=O)Nc2cccc(SC)c2)cc1 7653669 CMCUYDOTAQSKPD-UHFFFAOYSA-N 301.411 3.988 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 7917630 FNJPMPDSAKGQNA-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB CN(C)[C@@H](CNC(=O)c1cccs1)c1cccc2ccccc12 10330464 YLFLKXBUVZEYNR-KRWDZBQOSA-N 324.449 3.934 0 40 DHAB Cc1cc2ccccc2n1CC(=O)OCc1nc2ccccc2o1 10622160 QNUQHFUCTKUNNB-UHFFFAOYSA-N 320.348 3.834 0 40 DHAB COCCN(Cc1cccs1)C(=O)Nc1ccccc1F 11562305 PPSBJQWFPJHAAK-UHFFFAOYSA-N 308.378 3.568 0 40 DHAB Cc1cc(C)cc(C(=O)NC2(c3noc(C)n3)CCCCC2)c1 12796956 HTTSLEOQCCEZGI-UHFFFAOYSA-N 313.401 3.584 0 40 DHAB O=C(Nc1cccc2ncccc12)C1C[C@@H]2CCC[C@H](C1)C2=O 12814053 NGQCWTREVFCSEZ-PBWFPOADSA-N 308.381 3.569 0 40 DHAB Cc1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1C 12873673 JLGVHJUGSQGTLN-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB Cc1cccc(-n2c(S)nnc2CNc2ccc(F)cc2)c1 13534694 GEXLITNAZRMLHQ-UHFFFAOYSA-N 314.389 3.616 0 40 DHAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1Cl 14009119 GGVOFCOQMMWWDA-UHFFFAOYSA-N 316.788 3.731 0 40 DHAB Cc1nnc2c3ccccc3nc(Nc3cccc(Cl)c3)n12 16363478 DHGVEQUXIMHEAN-UHFFFAOYSA-N 309.760 3.983 0 40 DHAB COc1ccc(N2CCn3c(SCCC(C)C)nnc32)cc1 17113164 ODGDVGTUGBIFES-UHFFFAOYSA-N 318.446 3.577 0 40 DHAB O=C(C1CCCC1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19405441 ICUZKFSPNGNOFB-QGZVFWFLSA-N 324.428 3.716 0 40 DHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(N)c1 19736045 WMEZPZJMTYXKIX-CYBMUJFWSA-N 312.413 3.972 0 40 DHAB COc1ccc(N)cc1NC(=O)c1cccc(OCC(C)C)c1 19736738 SBQXBDZBBQKDBE-UHFFFAOYSA-N 314.385 3.565 0 40 DHAB CCSc1nnc(NC(=O)CCc2ccc(CC)cc2)s1 21280639 VQCZKZRBUYUVDI-UHFFFAOYSA-N 321.471 3.784 0 40 DHAB CC(C)OC(=O)C[C@H](NC(=O)C1CCC1)c1ccccc1Cl 21972085 HPTKWRCXIJUHPU-HNNXBMFYSA-N 323.820 3.639 0 40 DHAB Cc1nc(NC(=O)c2cccc(F)c2)sc1-c1ccccn1 23499766 BUYVPVGCFGXIIW-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccsc2)cc1 26323909 GJGQTSUIDAMPBL-UHFFFAOYSA-N 302.399 3.985 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 27999022 YELPYFKINZKYTJ-OAHLLOKOSA-N 309.413 3.625 0 40 DHAB Cc1csc(NC(=O)Cn2ccc3ccc(Cl)cc32)n1 31812705 DXXCNNSLGYYCIN-UHFFFAOYSA-N 305.790 3.698 0 40 DHAB CCc1ccc(C(=O)NCc2csc(Br)c2)o1 32581555 IRNZHUYUARIXPD-UHFFFAOYSA-N 314.204 3.596 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1F 32696853 DWHQIWGZVWZORD-CHWSQXEVSA-N 319.351 3.747 0 40 DHAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nccs1 40140103 IUPGFHSHHMHDJO-LLVKDONJSA-N 304.415 3.847 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)CCc2ccc(Cl)s2)no1 44474386 GYOCEMGAMMWHAJ-CYBMUJFWSA-N 324.833 3.994 0 40 DHAB C[C@]1(C(=O)Nc2ccc(OC(F)F)cc2)CC1(Cl)Cl 45573788 XLBGGIBUYBWCQH-LLVKDONJSA-N 310.127 3.810 0 40 DHAB O=C(C[C@H]1CCCO1)N1CCC[C@@H]1c1nc2ccccc2s1 47072121 FJQOJYVWDMBMRT-TZMCWYRMSA-N 316.426 3.529 0 40 DHAB C/C(=C\C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)C1CC1 57072338 QYPVKVGVLRNVRU-FQNOHDAGSA-N 310.397 3.890 0 40 DHAB CN(C(=O)NCc1cc2ccccc2[nH]1)[C@@H]1CCc2ccccc21 57645481 JQZIGORSMBUEFX-LJQANCHMSA-N 319.408 3.997 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)CNc1ccccc1Cl 63648308 DNSJIXXKJLBCFS-UHFFFAOYSA-N 320.824 3.785 0 40 DHAB CCc1nc2c(C)cccn2c1C(=O)N1CCCc2ccccc21 71448001 WYUHNNFBYAHWTM-UHFFFAOYSA-N 319.408 3.798 0 40 DHAB Cc1nc(CNCc2cccc(OC(F)(F)F)c2)cs1 76397205 YJJDFHGWBUQGKQ-UHFFFAOYSA-N 302.321 3.640 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)n1)[C@H]1CCOc2ccccc21 76804565 SSGWDCMCLQAORX-NSHDSACASA-N 322.286 3.605 0 40 DHAB C[C@@H](Oc1ccccc1NC(=O)Cn1cccn1)c1ccccc1 79360304 CJBRHCDHHJKWKZ-OAHLLOKOSA-N 321.380 3.662 0 40 DHAB COc1ccccc1C1(CN[C@@H](C)c2cnccn2)CCCC1 95420730 OWQTWIZOADOGHD-HNNXBMFYSA-N 311.429 3.648 0 40 DHAB Cc1ccc2oc(N(Cc3ccccc3)[C@H](C)CCO)nc2c1 95458772 VZALMADWUQYWLR-OAHLLOKOSA-N 310.397 3.914 0 40 DHAB C[C@H](Nc1ncnc2ccc(Br)cc12)c1ccon1 95460506 LMFDVXZAWPIXOB-QMMMGPOBSA-N 319.162 3.553 0 40 DHAB CN(CC1CCOCC1)C(=O)N[C@H]1CCCCc2ccccc21 95981530 FPKNYTHQJBRREI-SFHVURJKSA-N 316.445 3.522 0 40 DHAB Cc1ccc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 97038100 MCOFXFMVLRHBEU-CYBMUJFWSA-N 310.401 3.847 0 40 DHAB C[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)C1CCOCC1 97045914 RRNIAJMEBHVXJR-ZDUSSCGKSA-N 314.385 3.759 0 40 DHAB C[C@@H](c1cccnc1)N(C)Cc1ccc(Oc2cnccn2)cc1 97375264 KSEISRPOBILHPF-HNNXBMFYSA-N 320.396 3.857 0 40 DHAB COc1ccccc1[C@H]1C=C(c2ccc(C)cc2)Nc2ncnn21 101029397 GWIADSIDWROXDE-QGZVFWFLSA-N 318.380 3.651 0 40 DHAB Nc1nnc(-c2ccc(OCc3ccccc3)c(Cl)c2)o1 216815805 CVCFLJAPHQMCJC-UHFFFAOYSA-N 301.733 3.551 0 40 DHAB CCOc1ccc(C)cc1NC(=O)c1ccc(N)cc1Cl 216876993 MMZFMCKWVJKBRW-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB CC(C)CSc1nnc(NC(=O)Cc2cccs2)s1 225306398 GZXCPWNISJSWQX-UHFFFAOYSA-N 313.473 3.529 0 40 DHAB COc1ccc(NC(=O)c2snnc2-c2cccs2)cc1 225788907 WTXJLUYLHOXJSH-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1C 225861108 FGHUFTJAKRVGGL-UHFFFAOYSA-N 305.324 3.853 0 40 DHAB Cc1cc(-c2nnc(CN(C)[C@@H]3CCCC[C@H]3C)o2)c(C)o1 253370194 NPLHIJKKNIZWBC-IAQYHMDHSA-N 303.406 3.957 0 40 DHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1noc2c1CCCC2 253472787 PJPQGGNRHZQTHF-LBPRGKRZSA-N 324.380 3.661 0 40 DHAB C[C@@H]1CCCCN1C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531631 JVWNDFSGDRHMEI-BFMVXSJESA-N 323.521 3.843 0 40 DHAB Cc1cn2c([C@@H]3CCCN3C(=O)c3cccs3)cccc2n1 257215391 CPXQTWHCWJMCLS-ZDUSSCGKSA-N 311.410 3.682 0 40 DHAB Fc1ccccc1Oc1ccc(I)cn1 685937848 WUGIOXTYOLZDBB-UHFFFAOYSA-N 315.085 3.618 0 40 DHAB N=C(N)c1cccc(OCCOc2cccc3ccccc23)c1 1749246 BKGDNNARHYMUBG-UHFFFAOYSA-N 306.365 3.582 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1ccc(Br)cc1 2755958 GMACYCAWPKNHAK-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB CSc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 3248338 WIZSMTDGKUDJPE-FMIVXFBMSA-N 301.392 3.815 0 40 DHAB COc1cccc(/C=C/C(=O)Nc2cc(F)ccc2C)c1OC 3301505 XHWYHXPKIRNTMX-CSKARUKUSA-N 315.344 3.803 0 40 DHAB COc1ccc([C@@H](CC(=O)NCc2ccco2)C(C)C)cc1 4043359 QGVADWWYMLEDGF-KRWDZBQOSA-N 301.386 3.734 0 40 DHAB biogenic CCCCCC(=O)NC(=S)Nc1nc2ccccc2s1 4550713 FHYNUPWUTNBITK-UHFFFAOYSA-N 307.444 3.690 0 40 DHAB COc1ccc(NC(=O)CCSc2nc(C)cs2)cc1 4668904 SWQJKQKHLLXSEA-UHFFFAOYSA-N 308.428 3.581 0 40 DHAB Cc1csc(SCC(=O)N2c3ccccc3C[C@@H]2C)n1 5101619 HSWMDKRCPGKJJI-NSHDSACASA-N 304.440 3.521 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2cccc(Cl)c2)c1 5240746 MPUYZKDCQDIHCS-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB CCOC(=O)C1CCN(c2ccnc3cc(Cl)ccc23)CC1 5472616 AQULPVMKPPVXPJ-UHFFFAOYSA-N 318.804 3.668 0 40 DHAB C[C@H]1CCCC(=O)CCC/C=C/c2c(O)cc(O)cc2C(=O)O1 5751871 IDRIRNCRDAJRDI-KFRNIWOLSA-N 318.369 3.580 0 40 DHAB COc1cc(C)c(COC(=O)c2cc(C)oc2C)cc1OC 7746705 LCWUZTCMMUIQIM-UHFFFAOYSA-N 304.342 3.579 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 7790372 ZSHCQCPXYQCGFX-NSHDSACASA-N 305.374 3.954 0 40 DHAB Cc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@@H]1C 7878276 REVNKJMPMDSWAO-AWEZNQCLSA-N 314.454 3.923 0 40 DHAB Cc1ccc2nc(/C(Cl)=C/c3ccc(F)cc3)cc(=O)n2c1 7908868 CZGQPSWFFZKFLW-ZSOIEALJSA-N 314.747 3.879 0 40 DHAB CCS(=O)(=O)c1ccc2oc(/C=C/c3ccsc3)nc2c1 8321133 WLWSALONNUKNHY-ZZXKWVIFSA-N 319.407 3.853 0 40 DHAB COc1ccc(C)cc1NC(=O)Cn1cnc2cc(C)c(C)cc21 9157422 JDSVAPSVQTXTFI-UHFFFAOYSA-N 323.396 3.609 0 40 DHAB CCOC(=O)c1sc2nc(C)nc(NCC(C)C)c2c1C 9666071 CFUPPJJJCCHZAT-UHFFFAOYSA-N 307.419 3.553 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCCSCc1ccccc1 10338425 XLWQYHSKRWZYMZ-UHFFFAOYSA-N 319.857 3.932 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1CC=CCC1 11418622 IZRNVIQVEKPIRN-GFCCVEGCSA-N 318.804 3.762 0 40 DHAB CCc1cc(C(=O)O)c2c(C3CC3)nn(-c3ccccc3)c2n1 12399137 NLLSWNKFZRNIOL-UHFFFAOYSA-N 307.353 3.559 0 40 DHAB COc1ccc2cc(CN3C[C@H](C)O[C@@H](C)C3)c(Cl)nc2c1 12978585 YPVROUROFZGRLL-RYUDHWBXSA-N 320.820 3.506 0 40 DHAB O=C(CC1(C(=O)O)CCCC1)Nc1cc(Cl)cc(Cl)c1 13250516 NWBYTCCIXKHTPP-UHFFFAOYSA-N 316.184 3.967 0 40 DHAB CC(C)OCCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708541 XVYZCSLMYSPBDV-OAHLLOKOSA-N 315.413 3.538 0 40 DHAB C=Cn1cc(CN(Cc2ccccc2)Cc2ccncc2)c(C)n1 13989259 ABNXLDRUBBQYMD-UHFFFAOYSA-N 318.424 3.889 0 40 DHAB Cc1cc(C)c2c(N)c(-c3nc(-c4cccnc4)no3)sc2n1 15107938 YOQLQVJRWIMRRT-UHFFFAOYSA-N 323.381 3.607 0 40 DHAB CN(Cc1ccc(Cl)cc1)Cc1nnc(-c2ccco2)o1 15301735 IIQBJQKYEUPWLC-UHFFFAOYSA-N 303.749 3.615 0 40 DHAB CSCC[C@@H](NC(=O)CC(C)(C)C)c1nc2ccccc2[nH]1 16050245 BRRFSGRWTTWDNX-CQSZACIVSA-N 319.474 3.910 0 40 DHAB CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1C 19943675 MDABQZLCTUAMKR-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cccc(F)c1 24865081 XRLSKXLBYZIMQM-UHFFFAOYSA-N 316.307 3.566 0 40 DHAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccnc2)c1C 27921986 CFYZRDFFOCYCPZ-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB O=C(NCc1ccccn1)c1ccc2[nH]c3c(c2c1)CCCCC3 28844419 ZCUIOKCGWQJRSM-UHFFFAOYSA-N 319.408 3.762 0 40 DHAB Cc1ccc(-c2noc(COC(=O)c3ccccc3C)n2)cc1 39582949 NAZSADKLOKTMLA-UHFFFAOYSA-N 308.337 3.710 0 40 DHAB C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccncc1 43185828 DBWBNDZYVLWOFM-JSGCOSHPSA-N 301.415 3.751 0 40 DHAB COc1ccc([C@H]2CCCCCN2Cc2nnc(C)o2)cc1 52711780 YKXAQUGKMRLMHH-MRXNPFEDSA-N 301.390 3.504 0 40 DHAB C[C@@H](NC(=O)C1CCCCC1)c1nc(-c2ccc(F)cc2)no1 58174812 KKKDJVMQQIADAV-LLVKDONJSA-N 317.364 3.633 0 40 DHAB Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 58181130 HNJKDCVIIWSEQA-GOSISDBHSA-N 311.425 3.773 0 40 DHAB CN(C(=O)c1cc(=O)c2ccccc2[nH]1)C1CCCCCCC1 65610018 BKKFRQUJCKZIFI-UHFFFAOYSA-N 312.413 3.713 0 40 DHAB COc1cccc(CCn2ccnc2[C@@H]2CCOC(C)(C)C2)c1 67588595 CIZXTJMGFMLFND-MRXNPFEDSA-N 314.429 3.807 0 40 DHAB CCCCn1nnnc1CNc1ccc2c(c1)Cc1ccccc1-2 78688164 ZSDIYWSJMICFMN-UHFFFAOYSA-N 319.412 3.657 0 40 DHAB Cc1cc([C@H](C)NC(=O)[C@H](c2ccccc2)n2cccn2)c(C)o1 84081609 QSIXXMMLRYMUKO-KSSFIOAISA-N 323.396 3.560 0 40 DHAB O=C1CCN(C(=O)OCc2ccccc2)[C@H](Cc2ccccc2)C1 89220455 FHWSBHQDWGADKI-GOSISDBHSA-N 323.392 3.599 0 40 DHAB CCc1ccc(-c2nc(N(CC)CC)sc2CC(=O)O)cc1 95097097 HTTSFWCFJGIQFU-UHFFFAOYSA-N 318.442 3.846 0 40 DHAB CCCn1c(C)nnc1COc1cccc(Cl)c1Cl 95448481 PORCLNRYNNHFKO-UHFFFAOYSA-N 300.189 3.882 0 40 DHAB N[C@@H](c1ccc(Cl)cc1)c1n[nH]c(-c2cccc(Cl)c2)n1 95533947 OOXJQOIUSNADAJ-ZDUSSCGKSA-N 319.195 3.827 0 40 DHAB CCOC[C@@H]1COCCC12CCN(Cc1sccc1C)CC2 96106420 KHGPZWLMNBDNPJ-MRXNPFEDSA-N 323.502 3.712 0 40 DHAB COc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(C)cc23)c1 100891106 LRUQNFKASIRQIR-QFBILLFUSA-N 324.380 3.773 0 40 DHAB C[C@@H]1CCCN([C@H](C)CNC(=O)Nc2ccccc2Cl)C1 105673401 NUMRBBIMQWTPNK-CHWSQXEVSA-N 309.841 3.582 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105700985 WWTOWJSXIYROPR-WDCWCFNPSA-N 313.228 3.943 0 40 DHAB C[C@H](c1cccnc1)N(C)Cc1cccc(-c2cnn(C)c2)c1 195561948 QHEFRYXQEQFSTI-OAHLLOKOSA-N 306.413 3.675 0 40 DHAB NC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 216919994 IRYKGPABJQMHDG-UHFFFAOYSA-N 306.152 3.636 0 40 DHAB O=C(COc1ccc(F)cc1)NCCCc1ccc(Cl)cc1 222782179 PMFGPFYBCVDTQH-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCC1=CCCCC1 225098401 KDCJUMILGZLWKU-OAHLLOKOSA-N 313.441 3.949 0 40 DHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251196434 FCFRVRISNPSYCB-APYUEPQZSA-N 307.821 3.802 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H](Cc3cccnc3)C2)cc1F 257211272 BYFPJDSACQTZRS-MRXNPFEDSA-N 312.388 3.624 0 40 DHAB Cc1ccc(CC(=O)N2CCC[C@@H]2CCc2ccncc2)s1 257300167 RTEGWEPUASAZSK-MRXNPFEDSA-N 314.454 3.618 0 40 DHAB CN(C)[C@@H](CNC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 575608607 ORLUAKQPPLQENK-HOCLYGCPSA-N 312.413 3.508 0 40 DHAB C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1ccnc(O)c1 585116950 NFTYIHNFJZUUEI-JTQLQIEISA-N 316.792 3.510 0 40 DHAB CCC[C@@H]1C[C@H]1C(=O)N1CCCc2nc(Br)ccc21 1531374754 IOCYEHMHMYUGIG-GHMZBOCLSA-N 323.234 3.560 0 40 DHAB CC(=O)c1cc(C)c(OC(=O)c2cccnc2Cl)c(C)c1 153291 AVPONCKXUSKBBA-UHFFFAOYSA-N 303.745 3.774 0 40 DHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 230728 GEWQSEDFRMSOAE-SNVBAGLBSA-N 322.257 3.947 0 40 DHAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 260540 IXNCYIBRZBXZJG-CQSZACIVSA-N 324.808 3.536 0 40 DHAB Cc1cc(C)n2cc(COc3ccc(Cl)cc3C)nc2n1 352700 QVVVIUACTJDGTR-UHFFFAOYSA-N 301.777 3.887 0 40 DHAB CCOC(=O)c1sc(=S)n(-c2ccccc2CC)c1N 425156 ANNKLLDGJUXWCX-UHFFFAOYSA-N 308.428 3.590 0 40 DHAB O=Cc1ccc(OC(=O)c2cc(Cl)nc3ccccc23)cc1 529375 ZQRRHNUKMNICQQ-UHFFFAOYSA-N 311.724 3.920 0 40 DHAB Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2N)c1 532987 AMALKHUDPFIHMA-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB Cc1ccsc1[C@H]1N=C(O)c2c(sc3c2CCN(C)C3)N1 1295571 SGYSZZKWPYOXTR-ZDUSSCGKSA-N 319.455 3.535 0 40 DHAB CCN(CC)CCC[C@@H](C)Nc1cc(O)cc2cccnc12 1685570 XVRGMUYTMLBHEJ-CQSZACIVSA-N 301.434 3.863 0 40 DHAB O=[S@@](CC(O)(c1ccccc1)c1ccccc1)c1ccccc1 5064049 WEBGBIHIICEKAL-HSZRJFAPSA-N 322.429 3.730 0 40 DHAB COc1ccc(N2C(=O)C(F)(F)[C@@H]2c2cccc(F)c2)cc1 5577987 HAHPKKVPRVOYGH-AWEZNQCLSA-N 307.271 3.558 0 40 DHAB C[C@H](OC(=O)[C@@H]1C[C@H]1C)C(=O)Nc1cc(Cl)cc(Cl)c1 5693500 HMTMJPKOYIKJIV-RGNHYFCHSA-N 316.184 3.520 0 40 DHAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 6080300 PVOAVISNEYHHGQ-UHFFFAOYSA-N 301.777 3.932 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)NC1CCCCCCC1 8050586 RMFWYBPVPPUPCP-AWEZNQCLSA-N 305.418 3.692 0 40 DHAB O=C(CCC(=O)c1cccs1)NCCSc1ccccc1 8361018 ACMXFNJAFOEBEQ-UHFFFAOYSA-N 319.451 3.620 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc3cccnc23)c1C 9450362 RPJIANPBJZASOR-UHFFFAOYSA-N 322.364 3.739 0 40 DHAB Cc1ccc(F)c(NC(=O)c2ccc(Cn3cccn3)cc2)c1 9677772 ISGCMLSJLQHFIN-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc3ccccc3[nH]2)cc1 10026568 NDPDRKBEQKHLET-ZDUSSCGKSA-N 307.349 3.905 0 40 DHAB O=c1[nH]c(Cc2cccc(F)c2)nc2c1sc1ccccc12 12880077 JCVADOLRJYPDJC-UHFFFAOYSA-N 310.353 3.868 0 40 DHAB COc1ccc(OC(=O)c2c(-c3ccccc3)noc2C)cc1 12886728 RDKIDOOSWGGMBD-UHFFFAOYSA-N 309.321 3.878 0 40 DHAB CCOc1cc2c(cc1NC(=O)Cc1cccs1)O[C@@H](C)C2 12932074 CVAUCCBCWRXBHF-NSHDSACASA-N 317.410 3.651 0 40 DHAB O=C(CC1(C(=O)O)CCCC1)Nc1cccc2c1CCCC2 13466626 CBIIFHGLWYTQAH-UHFFFAOYSA-N 301.386 3.539 0 40 DHAB C[C@@H](NC(=O)c1ccccc1N)c1ccccc1Br 14095026 MLIQYRUDFINNBD-SNVBAGLBSA-N 319.202 3.522 0 40 DHAB O=C(Nc1nc2ccccc2s1)c1ccc(-n2cccn2)cc1 14704315 PGBQIEWBGUNSQJ-UHFFFAOYSA-N 320.377 3.734 0 40 DHAB COc1ccccc1NC(=O)Nc1ccc(N2CCCC2)cc1 18172499 KOUSDVJABRJUDR-UHFFFAOYSA-N 311.385 3.939 0 40 DHAB COc1ccc(OC)c([C@H]2SCC(=O)N2C2CCCCC2)c1 19927460 ZXESXCCZXRFSFW-QGZVFWFLSA-N 321.442 3.611 0 40 DHAB CC(C)CCN1C(=O)c2ccccc2[C@H]1NCc1ccccc1 20130091 QQRWELYHLOUREG-IBGZPJMESA-N 308.425 3.977 0 40 DHAB Cc1ccc2[nH]c(C(=O)O)c/c(=N\c3ccc(C)c(F)c3)c2c1 21657777 JVYPZRXHCYBSDU-UHFFFAOYSA-N 310.328 3.854 0 40 DHAB CCCCCc1ccc(NC(=O)[C@@H](NC(C)=O)C(C)C)cc1 23079490 GCNWVDAPAWPAMZ-KRWDZBQOSA-N 304.434 3.519 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccccc1OC(F)F)c1ccco1 25461245 ALRNQSRESIYOSM-FBOQAHMBSA-N 307.296 3.772 0 40 DHAB Cc1cc(NC(=O)c2sccc2C)n(-c2ccc(F)cc2)n1 28219997 DERXHCAGDHTTAU-UHFFFAOYSA-N 315.373 3.942 0 40 DHAB CC1(C)C[C@@H](c2nn3c(-c4cccs4)nnc3s2)CCO1 36357756 KDJVQOKMZSMUAD-VIFPVBQESA-N 320.443 3.587 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)NCCCn1ccc2ccccc21 40024100 GBGIXIBFRDMTOM-NVXWUHKLSA-N 313.445 3.909 0 40 DHAB CC(C)c1nnc(NC(=O)N(C)[C@@H](C)c2ccccc2)s1 40104046 VFJZFJZLYNAPQS-NSHDSACASA-N 304.419 3.886 0 40 DHAB CCCc1noc([C@H]2CCCCN2C(=O)C2CCCCC2)n1 41122792 BDOOQVIYZKAWJB-CQSZACIVSA-N 305.422 3.656 0 40 DHAB Nc1ncc(Cl)c(-c2cnc(-c3cccc(F)c3)s2)n1 43790787 WGBKWXGDVMKKRG-UHFFFAOYSA-N 306.753 3.642 0 40 DHAB CCN1CCC[C@H]1CNC(=O)c1oc2c(Cl)cccc2c1C 44571138 XXLDMNFKSSJKEB-LBPRGKRZSA-N 320.820 3.609 0 40 DHAB O=C(CSc1ccc(O)cc1)NCc1ccc(Cl)s1 48601565 PVYAFEIWLLXSRO-UHFFFAOYSA-N 313.831 3.516 0 40 DHAB O=C(c1ccc2c(c1)CCO2)N1CCC[C@H]1CCc1ccccc1 55487385 PHJABQFMNKQVBK-IBGZPJMESA-N 321.420 3.859 0 40 DHAB C[C@H](c1ccco1)N(C(=O)Cc1noc2ccccc12)C1CC1 56184371 MSVAFWMYQXVDFT-GFCCVEGCSA-N 310.353 3.716 0 40 DHAB CC(C)Oc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 58009472 SDNQFCBEUIDCCP-HNNXBMFYSA-N 311.381 3.664 0 40 DHAB COCc1c(C(=O)N(C)[C@@H](C)c2ccncc2)oc2ccccc12 58218384 NIUDFZJTDGCHCU-ZDUSSCGKSA-N 324.380 3.807 0 40 DHAB COc1cc2c(OCC(=O)OC(C)C)cc(C)nc2cc1Cl 64874624 NWAQVXIHSVEMKJ-UHFFFAOYSA-N 323.776 3.536 0 40 DHAB CCCCc1nc(C)c(C(=O)OCc2scnc2C)s1 68557709 RLJCFWUCSBHDBK-UHFFFAOYSA-N 310.444 3.916 0 40 DHAB Cc1noc(C)c1NC(=O)NC[C@H](Nc1ccccc1)C(C)C 69967515 KGWMGVRFAWORNS-HNNXBMFYSA-N 316.405 3.550 0 40 DHAB CC(C)c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71889850 PROMTSHDNBCFIW-UHFFFAOYSA-N 306.793 3.943 0 40 DHAB CC(C)CO[C@H](C)c1noc(CN2CCCC(C)(C)CC2)n1 74991521 FAUVOFRLIJQBAC-CQSZACIVSA-N 309.454 3.815 0 40 DHAB CC(C)[C@H](CCO)NC(=O)Nc1ccc(-c2ccccc2)cc1 76068701 YAFDLJRGNUYEIL-SFHVURJKSA-N 312.413 3.882 0 40 DHAB O=[S@@](CCc1ccccc1)Cc1csc(-c2ccco2)n1 78602623 RPOYFODRHROLEZ-OAQYLSRUSA-N 317.435 3.895 0 40 DHAB Cc1nc(N2CCC(n3c(C)ccc3C)CC2)c2cc[nH]c2n1 80971037 NVQUQZINBCXWET-UHFFFAOYSA-N 309.417 3.526 0 40 DHAB O=C(NCc1cc2ccccc2[nH]1)c1cccc2cccnc12 84594712 GKVNNCXILITAHC-UHFFFAOYSA-N 301.349 3.646 0 40 DHAB CCn1cc(CN[C@H](c2ccccc2)c2cccc(F)c2)cn1 89306024 DIAUPULITWRVOP-LJQANCHMSA-N 309.388 3.921 0 40 DHAB C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc(F)c1 89905222 VTWCBUDAHVXBSS-OAHLLOKOSA-N 309.388 3.921 0 40 DHAB O=C(c1ccc2ccccc2c1O)N1CCC[C@H]1c1ccncc1 93913261 CWTRFVDNIZOXRR-SFHVURJKSA-N 318.376 3.918 0 40 DHAB CC(C)N(C(=O)Cn1ccnc1-c1ccccc1)c1ccccc1 95350574 QZRAPPHFJJRYFU-UHFFFAOYSA-N 319.408 3.992 0 40 DHAB COc1cc(C(=O)c2ccc(SC)cc2)cc(OC)c1OC 95917270 VHKAINQAHZGDQR-UHFFFAOYSA-N 318.394 3.665 0 40 DHAB CN1CCC2(CC1)CCN(Cc1ccc(C(F)(F)F)cc1)C2 96268559 HSFOUGDFPBXKSC-UHFFFAOYSA-N 312.379 3.623 0 40 DHAB CCc1noc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1 96346523 XARBCTVSGUEYTE-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB Cc1ccc([C@H]2C[C@@H]2C(=O)N(CC(F)(F)F)C2CC2)s1 97000596 AHJDOGWTVSKZJZ-QWRGUYRKSA-N 303.349 3.713 0 40 DHAB FC(F)(F)Cn1cc(CN[C@H]2CCCc3sccc32)cn1 97017349 QANIMZLGTIMFKY-LBPRGKRZSA-N 315.364 3.674 0 40 DHAB Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](CCC(=O)O)C1 97045095 BITDMACSFFRSLV-JKSUJKDBSA-N 317.429 3.592 0 40 DHAB CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 97143234 BJEFDNDVORUICD-OALUTQOASA-N 323.392 3.539 0 40 DHAB C[C@@]1(C(=O)Nc2ccc(-c3cnco3)cc2)CC1(Cl)Cl 97444315 HYKJDZTZFUVJPJ-ZDUSSCGKSA-N 311.168 3.864 0 40 DHAB CN1CC(O)=C(c2ccccc2Oc2ccc(Cl)cc2)C1=O 100038176 KVJWENUOONPUIS-UHFFFAOYSA-N 315.756 3.873 0 40 DHAB in-vitro C(=C\c1nnnn1-c1ccccc1)\Nc1ccc2ccccc2c1 100209785 UXNGFFGMZMACOJ-SEYXRHQNSA-N 313.364 3.898 0 40 DHAB CCc1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 101029507 UNZGRXGWBHPYRL-GOSISDBHSA-N 302.381 3.897 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102177557 VVXIDVKPAQZJAR-QRTARXTBSA-N 313.397 3.504 0 40 DHAB Cc1cccnc1CNC(=O)Nc1ccc2cnn(C(C)C)c2c1 171538033 QGVRQTJMYSBXGJ-UHFFFAOYSA-N 323.400 3.642 0 40 DHAB CC(C)(C)OC(=O)Nc1c(C=O)cccc1OC(F)(F)F 199832200 POTWCWZJOGTHLO-UHFFFAOYSA-N 305.252 3.745 0 40 DHAB CCCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NC(C)(C)C 223177333 WUOSNFZFBYBPPY-MRXNPFEDSA-N 318.461 3.509 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)NCCSC2CCCC2)c1 223191321 CFJQWEJYZHOWKA-UHFFFAOYSA-N 321.486 3.783 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)NCCSC1CCCC1 224386280 WRKAFFWLMYZKJH-CQSZACIVSA-N 307.459 3.554 0 40 DHAB O=C(Cc1ccccc1F)NCCCc1ccccc1Cl 225447986 CWFZTDAQMARRKE-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB CC(C)NC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 225449680 LHYURDKVTZRADE-UHFFFAOYSA-N 303.450 3.932 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CNCc2nnc(C(C)(C)C)s2)o1 268245139 XYNVEAQCFLMFOE-CMPLNLGQSA-N 305.447 3.842 0 40 DHAB Cc1cc(C)cc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 409207162 PVSVJUNDRWSNBY-UHFFFAOYSA-N 308.425 3.875 0 40 DHAB Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2c(C)coc2C)cc1 670801957 XZCDMHIJNNGZPY-FUHWJXTLSA-N 313.397 3.855 0 40 DHAB Fc1c(I)ccc(C(F)(F)F)c1F 1083818485 XRPSDBYIRNSMRY-UHFFFAOYSA-N 307.987 3.588 0 40 DHAB Cc1ccc2nc(=S)n(C(=O)c3ccc(Cl)cc3)n2c1 93962 VUPZARLTJJZVIJ-UHFFFAOYSA-N 303.774 3.516 0 40 DHAB CC(=O)Nc1cccc(-c2csc(Nc3ccccn3)n2)c1 813397 CIPZTVWSXBUVQO-UHFFFAOYSA-N 310.382 3.907 0 40 DHAB CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2ccco2)c1 1006618 JNDGOTUYVQSCCQ-UHFFFAOYSA-N 320.776 3.571 0 40 DHAB Cc1cccc(Cn2c(C(=O)OC(C)C)cc3c2ccn3C)c1 1355144 BWRTZIXTWJJVGK-UHFFFAOYSA-N 310.397 3.902 0 40 DHAB CCCc1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1 1475479 YEFQDLJDRNSLNS-GOSISDBHSA-N 305.462 3.643 0 40 DHAB CCOC(=O)C(CC(=O)O)=C1c2ccccc2-c2ccccc21 1734785 KQZCCKHUSLPEDU-UHFFFAOYSA-N 308.333 3.507 0 40 DHAB CCOC(=O)C(C(=O)OCC)[C@@H]1CCCCC1=C(Cl)Cl 2271455 WPAWDALMLDLLHX-SECBINFHSA-N 323.216 3.608 0 40 DHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 2653085 JDUOWZKAQVGGQQ-UHFFFAOYSA-N 303.745 3.560 0 40 DHAB Cc1cc(C)c(C(=O)COC(=O)c2cccnc2Cl)c(C)c1 3328945 CMHLZDYMTOIIJV-UHFFFAOYSA-N 317.772 3.700 0 40 DHAB CC1(C)[C@]2(C(=O)Oc3cccc4cccnc34)CC[C@@]1(C)C(=O)C2 4810964 MBFAJMXGNCZOKK-VQTJNVASSA-N 323.392 3.926 0 40 DHAB Cn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2sccc21 4971193 YEPJAFMNAVNQBJ-UHFFFAOYSA-N 323.421 3.694 0 40 DHAB O=c1ccc(-c2ccc3ccccc3c2)nn1Cc1cccnc1 5380864 NSTBSZNNZFSSSL-UHFFFAOYSA-N 313.360 3.507 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)CC(=O)C(C)(C)C)cc1C 5400046 YBKDWJUJOJWCCF-UHFFFAOYSA-N 303.402 3.597 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1nonc1-c1cccs1 5484826 NFRNZQLJCKXPBL-UHFFFAOYSA-N 319.773 3.633 0 40 DHAB CCc1c(C)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn2c1=O 6606205 VIZIFHIKALDREX-UHFFFAOYSA-N 321.302 3.579 0 40 DHAB O=C(COc1cccc2ccccc12)NCc1ccccc1F 6890650 NIVQHBGFIUZNPC-UHFFFAOYSA-N 309.340 3.674 0 40 DHAB Cc1cc2nnc(SCCc3ccccn3)n2c2ccccc12 7034809 QLCVNTNHMSSLOZ-UHFFFAOYSA-N 320.421 3.921 0 40 DHAB COc1ccc(SCC(=O)Nc2c(F)cccc2F)cc1 7294707 ATLIPJLYZLXQRS-UHFFFAOYSA-N 309.337 3.704 0 40 DHAB Cc1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1C 7642537 UNSATEHNDHKQMV-UHFFFAOYSA-N 316.426 3.656 0 40 DHAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2C)cc1 7878292 PPJSVHMPRPRBPJ-CYBMUJFWSA-N 300.427 3.614 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 7928338 ATUPNESVFMOOGY-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CCc1noc(C)c1C(=O)N[C@H]1CCSc2ccccc21 7987960 IYURGYIWFHZOLU-ZDUSSCGKSA-N 302.399 3.512 0 40 DHAB COCCNCc1cccc(OCc2ccccc2Cl)c1 8469236 KBQWQEYMLBZAHR-UHFFFAOYSA-N 305.805 3.655 0 40 DHAB CCOc1ccc(Nc2nc(SC)nc3c2CCC3)cc1 11907796 ZMQCVHMKEMVBPD-UHFFFAOYSA-N 301.415 3.830 0 40 DHAB CC(=O)c1csc(NC(=O)c2cc(C3CCCCC3)no2)n1 12198207 FMKUTYPSKZZUIN-UHFFFAOYSA-N 319.386 3.634 0 40 DHAB O=C(c1cc(Cl)ccc1F)N1CCC[C@@H]1c1ccncc1 12545098 OYDCDAZDHGKRNM-OAHLLOKOSA-N 304.752 3.851 0 40 DHAB CCOc1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 12790881 MREWAITYZOABTC-WMLDXEAASA-N 304.434 3.805 0 40 DHAB Cc1ccc2cc(CNCc3ccccc3F)c(=O)[nH]c2c1C 13998953 PGMQSDMUMYOQFJ-UHFFFAOYSA-N 310.372 3.574 0 40 DHAB CC(C)c1n[nH]c(SCC(=O)N(C(C)C)C2CCCCC2)n1 14112146 IMVNYSOTRLEPMW-UHFFFAOYSA-N 324.494 3.590 0 40 DHAB Cc1cc(C(=O)COc2ccccc2)c(C)n1-c1nccs1 14112516 GAVZKMFKTHPDCS-UHFFFAOYSA-N 312.394 3.812 0 40 DHAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc2ccccc2c1 14254763 MMWJPSQTVXVBIR-UHFFFAOYSA-N 319.332 3.919 0 40 DHAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccccn1 14711156 YOXIEMORYUVIRF-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 15328946 YALWISLBNRWJPP-ZDUSSCGKSA-N 315.344 3.743 0 40 DHAB Clc1cc(CN2CCc3ccccc3C2)cc2c1OCCO2 20938049 YUPYZEJEPJOLAM-UHFFFAOYSA-N 315.800 3.670 0 40 DHAB CC[C@@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 22618805 XDIYQSQQZSDWJB-LLVKDONJSA-N 306.793 3.842 0 40 DHAB CC[C@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 22618807 XDIYQSQQZSDWJB-NSHDSACASA-N 306.793 3.842 0 40 DHAB COC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 22757677 CXQKYTGFKHJEFZ-PKNBQFBNSA-N 312.365 3.769 0 40 DHAB O=C(OC[C@@H]1CCCO1)c1cc2c(s1)-c1ccccc1OC2 24536212 TVEFRNOQCYAUHR-LBPRGKRZSA-N 316.378 3.643 0 40 DHAB COC(=O)c1cc(CN(C)[C@@H]2CCCc3ccccc32)oc1C 26228334 HZFHVCJHBLWRFK-GOSISDBHSA-N 313.397 3.884 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(F)cc2F)C1 26898224 IZKCABCVWVXCAE-LBPRGKRZSA-N 312.360 3.776 0 40 DHAB CCCC(=O)Nc1cc(-c2ccc(Br)cc2)no1 27794265 QVESTMGHIHVPPX-UHFFFAOYSA-N 309.163 3.843 0 40 DHAB COc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1Cl 27794707 NJMFSFFONFALKF-VIFPVBQESA-N 320.776 3.714 0 40 DHAB CC(=O)c1cc2c(cc1NC(=O)c1cc3ccccc3o1)OCO2 28909742 ZNZJIPAJTUNRCB-UHFFFAOYSA-N 323.304 3.616 0 40 DHAB O=C(Nc1cccc2cn[nH]c12)c1cc(-c2ccccc2F)on1 30040232 BZHJBRUVVXZIFM-UHFFFAOYSA-N 322.299 3.609 0 40 DHAB COc1ccccc1NC(=O)CSCCCc1ccccc1 31809176 JAUUSTPQFBZQAB-UHFFFAOYSA-N 315.438 4.000 0 40 DHAB CC(C)c1nnc2ccc(NCc3ccc(Cl)cc3)nn12 32092430 GRNYRNNVYBNMQF-UHFFFAOYSA-N 301.781 3.513 0 40 DHAB COCc1c(C(=O)OCc2cccs2)oc2ccccc12 32958666 WKHSAOXCFHOOBZ-UHFFFAOYSA-N 302.351 3.998 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1C 36635403 WVKLJMBBSQHUOS-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB COc1ccccc1CNC(=O)Nc1cccc2ncccc12 40103575 ILODLQACBJWGBS-UHFFFAOYSA-N 307.353 3.565 0 40 DHAB CC(C)c1ccc([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1 40309985 DWFMRWCKZQXXCA-ICSRJNTNSA-N 306.409 3.735 0 40 DHAB biogenic Cc1ccccc1-c1nc(Cn2c(C)nc3ccccc32)no1 41146275 CADCOIXTVCGNSX-UHFFFAOYSA-N 304.353 3.751 0 40 DHAB Cc1ccc([C@@H](C)N(C)C(=O)NCC2(N(C)C)CCCC2)cc1 43146868 DWPFXUNKDDBCLC-MRXNPFEDSA-N 317.477 3.572 0 40 DHAB CN(C(=O)c1ccc(CN2CCCC2)cc1)C1CCCCC1 44940385 AHVZFEMBAJRQBL-UHFFFAOYSA-N 300.446 3.687 0 40 DHAB CCC[C@H](C)NC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 48066088 MGATVDRVUZMZMO-SRXBQZRASA-N 304.390 3.573 0 40 DHAB Cn1c(SCCOc2ccccc2)nnc1-c1ccccc1 49565371 HADNCTURHADCSJ-UHFFFAOYSA-N 311.410 3.653 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2cccc(Br)c2)C1 58183216 HYZCVANQANGTCA-PHIMTYICSA-N 311.223 3.959 0 40 DHAB CCCOc1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1 58281889 ROVSYTOEGNNSKS-UHFFFAOYSA-N 323.352 3.778 0 40 DHAB CCCOCc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 63579655 ATDWKRGNBXRBKJ-UHFFFAOYSA-N 314.410 3.887 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2ccc(C)c(F)c2)ccc1F 66489272 ZIKSJXJXVXPSON-UHFFFAOYSA-N 320.295 3.704 0 40 DHAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cc(-c3ccccc3)no2)c1 69520679 DDRSUZLRZIGMMB-CABCVRRESA-N 310.401 3.586 0 40 DHAB CC(C)CCNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 69569241 ZYARAVKYDWLZDM-UHFFFAOYSA-N 315.373 3.700 0 40 DHAB Cc1c([C@H](C)NCc2cccc(O)c2)cnn1-c1ccccc1 69848775 OVIPCKJXWQEBBU-AWEZNQCLSA-N 307.397 3.737 0 40 DHAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)c1 71865651 YJHWUCKGWGEATE-INIZCTEOSA-N 323.396 3.633 0 40 DHAB Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nccs1 72272095 CHUUPQYXZBDILB-CQSZACIVSA-N 316.426 3.584 0 40 DHAB CN(C(=O)Cc1cccs1)[C@@H](Cc1ccccn1)C(C)(C)C 72306470 RTXZOAOAGRQSBI-INIZCTEOSA-N 316.470 3.801 0 40 DHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2F)cc1 72329164 SNXSFUBEAQIKRR-UHFFFAOYSA-N 323.371 3.708 0 40 DHAB CCOc1ccc(NC(=O)NCCNc2ccccc2)c(C)c1 75110212 HPCJFBRVOOBQIS-UHFFFAOYSA-N 313.401 3.627 0 40 DHAB C[C@@H](CNC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 78517725 LWPWQHFIJXQNOL-HNNXBMFYSA-N 318.461 3.779 0 40 DHAB CCn1cc(C(=O)N2CCCSc3ccc(Cl)cc32)cn1 79025293 LFKCRAZHNNQOCA-UHFFFAOYSA-N 321.833 3.699 0 40 DHAB COc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 79026201 NXVCFLXGRYUZIA-UHFFFAOYSA-N 319.401 3.525 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1 79361167 BJWXOWQRFGOSPM-OAQYLSRUSA-N 321.829 3.779 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 89969148 LNJDRUSGCCXBJL-BEVDRBHNSA-N 323.436 3.828 0 40 DHAB COC(=O)Nc1ccc(CN[C@H](C)c2cc(F)cc(F)c2)cc1 95420445 RHUNSMDWSBNVDR-LLVKDONJSA-N 320.339 3.994 0 40 DHAB CC(=O)Nc1ccc(CCN[C@@H](C)Cc2ccc(F)cc2)cc1 95421789 FYGKRPKLDMYJHO-AWEZNQCLSA-N 314.404 3.547 0 40 DHAB O=C(NCCc1ccsc1)c1cc(Br)cs1 96120200 NRRMJKJIANZEHI-UHFFFAOYSA-N 316.245 3.545 0 40 DHAB Cc1noc(C)c1N(C)C(=O)c1ccnc(SC(C)(C)C)c1 97048393 PGZPEPRTNBZYJD-UHFFFAOYSA-N 319.430 3.854 0 40 DHAB Cc1cccc(NC(=O)N2C[C@H]3CC[C@H]2[C@H]3OCC(C)C)c1 107265346 ACLLRPQGCZNMJF-PVAVHDDUSA-N 302.418 3.662 0 40 DHAB O=C(CSCc1ccccc1F)N1CCc2ccccc2C1 222698417 OWSAJTOLQXHPMW-UHFFFAOYSA-N 315.413 3.644 0 40 DHAB CCc1ccc(CC(=O)NCCOc2ccc(C)cc2C)cc1 225169456 WVHORIPULUUKOX-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(OCC)cc1 225479743 HKIKMRLOWROSHH-UHFFFAOYSA-N 313.401 3.551 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)NC(C)(C)Cc1ccccc1 225721451 PEVBVPTVQRMOJO-MRXNPFEDSA-N 311.425 3.900 0 40 DHAB Cc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1 225777797 GMCNWUJPASQDCL-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1ccc2c(c1)OC1(CCN(Cc3ccccc3)CC1)CC2=O 225816337 XZCCMLAQMNZVBB-UHFFFAOYSA-N 321.420 3.995 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2conc2-c2ccccc2)cc1 225871778 GPNMNAXFUQIBGJ-UHFFFAOYSA-N 321.336 3.552 0 40 DHAB CC[C@H](OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 226724610 FWILNCFMKJDLDO-DKKFBQAASA-N 305.462 3.778 0 40 DHAB COCc1cccc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)c1 226754359 NVLUXZVRVHLDAX-UHFFFAOYSA-N 321.380 3.579 0 40 DHAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1O 331922376 LSNREPSJCKGGGS-SFHVURJKSA-N 323.392 3.881 0 40 DHAB CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CCCC2)c1 390833523 ISAAPCCUEDJGIY-UHFFFAOYSA-N 318.417 3.589 0 40 DHAB CCn1c2c(s/c1=N\C(=O)c1ccco1)CCc1ccccc1-2 408562377 PELKLODDZUXWMU-HNENSFHCSA-N 324.405 3.669 0 40 DHAB Cc1nsc2ncn(Cc3ccc(C(C)(C)C)cc3)c(=O)c12 555468838 YJJIVIQVBKBBLJ-UHFFFAOYSA-N 313.426 3.507 0 40 DHAB COC1CCC(NC(=O)N2CCCCC[C@H]2c2ccco2)CC1 582286707 ZMCOKGUCCPLYOC-GPANFISMSA-N 320.433 3.864 0 40 DHAB Fc1cccc(-c2noc(-c3cccnc3N3CCCCC3)n2)c1 1889186997 VZTMDHXPJJCIHQ-UHFFFAOYSA-N 324.359 3.928 0 40 DHAB C[C@@H]1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)[C@@H]1C 106098 BQFAPGKABHKJDF-ZIAGYGMSSA-N 317.392 3.945 0 40 DHAB O=C(NCc1ccc(Cl)cc1Cl)c1cccnc1Cl 163263 PLBVQHQQKQWQDH-UHFFFAOYSA-N 315.587 3.972 0 40 DHAB COc1ccccc1OCCn1c(SC)nc2ccccc21 175915 CVIMPZZSCUYGTC-UHFFFAOYSA-N 314.410 3.846 0 40 DHAB O=C(c1c[nH]c(-c2nnco2)c1)c1ccc(Cl)cc1Cl 3105940 XEKDMPIGTYGQHR-UHFFFAOYSA-N 308.124 3.603 0 40 DHAB CSc1ccccc1NC(=O)COc1cccc(C(C)=O)c1 3327069 XWWXBGQOTAYTHP-UHFFFAOYSA-N 315.394 3.629 0 40 DHAB COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1OC 3598233 CZPSIEBBCRGQRQ-UHFFFAOYSA-N 321.373 3.574 0 40 DHAB O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(Cl)cc1 4745030 KRJJAQAXKWTYIU-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB COc1ccc(-c2ncncc2-c2ccccc2OC)c(O)c1 5426276 VRNQCVVMWPXUMZ-UHFFFAOYSA-N 308.337 3.533 0 40 DHAB C[C@@H](CNC(=O)COc1ccccc1Cl)c1ccccc1 5861667 QYIGLRPGVBJXQO-ZDUSSCGKSA-N 303.789 3.639 0 40 DHAB O=C(NCCCc1ccccc1)c1ccc(Br)s1 6543561 MPMCLTOIKMWHFC-UHFFFAOYSA-N 324.243 3.873 0 40 DHAB CCOc1ncccc1C(=O)Nc1ccc(N(CC)CC)cc1 6561059 YHXJZKZGCOYNDD-UHFFFAOYSA-N 313.401 3.579 0 40 DHAB Cc1sc2ncnc(NCCc3nc4ccccc4[nH]3)c2c1C 7128753 ASNFCHKMNRUBJO-UHFFFAOYSA-N 323.425 3.839 0 40 DHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C)cc1 7265840 VMJKWSQYAVNQRI-UHFFFAOYSA-N 324.424 3.794 0 40 DHAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C1CC1 8150645 WKNKOVQMYLDWOZ-HNNXBMFYSA-N 310.422 3.888 0 40 DHAB CCNc1nnc(SCC(=O)c2cc(C)sc2C)s1 8250814 KMHOGXCVXSQKTR-UHFFFAOYSA-N 313.473 3.623 0 40 DHAB Cc1ccc(C(=O)Nc2sc(N)nc2-c2ccccc2)cc1 8411520 OGOHVYIEJBTHDG-UHFFFAOYSA-N 309.394 3.953 0 40 DHAB CCC(CC)NC(=O)N[C@H](C)c1ccc(Br)cc1 12947502 HYMNXVKTBXTUAE-SNVBAGLBSA-N 313.239 3.998 0 40 DHAB C[C@H]1CCCCN1C(=S)Nc1ccc(OC(F)F)cc1 13571749 FDFBXCXQVDAQQD-JTQLQIEISA-N 300.374 3.859 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1OC 13668389 CGKLBYAJHQPJNE-CQSZACIVSA-N 313.397 3.812 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)CCC2 15326701 ULHWAPUYPCGBQP-INIZCTEOSA-N 323.436 3.692 0 40 DHAB O=C(Cc1scnc1-c1cccs1)NCc1ccccc1 15840239 UMAUILLPBMFYBM-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB C/C=C/c1ccc(OCC(=O)NC2CCC(C)CC2)c(OC)c1 16044558 CQTVMIXMGLRPSG-SNAWJCMRSA-N 317.429 3.802 0 40 DHAB C[C@H](NC(=O)COc1ccc(F)cc1Cl)c1cccs1 17842333 XQKSUZCCCAIZQO-VIFPVBQESA-N 313.781 3.797 0 40 DHAB Cc1ccc(N)cc1NC(=O)c1cccc(Br)c1 19512376 CYOGGCIFUKPSLT-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB COc1cccc([C@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)c1 19927607 GJRBDOZSIXNVEQ-QMTHXVAHSA-N 320.439 3.627 0 40 DHAB Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N)cc1 20030718 QNWNUFRCPPPUKB-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB CC(=O)c1cccc(NCc2nc(-c3ccc(C)cc3)no2)c1 23003982 OMZCBCMAJQOSJL-UHFFFAOYSA-N 307.353 3.860 0 40 DHAB O=c1cc(CNc2ccccc2Cl)nc2ccc(Cl)cn12 25596984 DFJZJJXKSPOBEA-UHFFFAOYSA-N 320.179 3.613 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 26565148 QHIXVLRPSBKFAZ-KRWDZBQOSA-N 323.392 3.655 0 40 DHAB CCOCc1ccc(CNC(=O)c2ccccc2Cl)cc1 29281850 ALMMTUUARLPTDN-UHFFFAOYSA-N 303.789 3.807 0 40 DHAB COc1ccc(C(=O)NCc2c(OC)ccc3ccccc23)cc1 29301613 OVAVLXBPCWANFC-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB COc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2C)cc1F 35269004 ZFMDRZKMMTYRLS-XUJVJEKNSA-N 308.397 3.773 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)N1CCc2sccc2C1 36397838 WHPGALDBOFXYIN-UHFFFAOYSA-N 306.456 3.835 0 40 DHAB Cc1nnc(N2CCC(C)CC2)c2nn(-c3ccccc3)c(C)c12 36646266 OYIVOOJZPZJJGK-UHFFFAOYSA-N 321.428 3.669 0 40 DHAB COc1cc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc(OC)c1 40097743 PBCKXWOTOKIJGD-NSHDSACASA-N 318.348 3.726 0 40 DHAB CN(Cc1ccco1)C(=O)Nc1ccc(OC(F)F)c(F)c1 47713935 YZIQDLAELLWRGZ-UHFFFAOYSA-N 314.263 3.684 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cn(C)c2ccccc12 58381784 YPDXIODYFFMNDK-RDTXWAMCSA-N 314.429 3.503 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)c2cnc(C(C)(C)C)s2)on1 65458892 WXCMNCXPYLKKJO-NSHDSACASA-N 319.430 3.714 0 40 DHAB C[C@H](NC(=O)c1cccn1C)c1cc(F)c(Cl)cc1Cl 69231078 QJVUSSXAOWHQTJ-QMMMGPOBSA-N 315.175 3.962 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N1[C@H](C)CCC[C@H]1C 69462957 QBYOFEGYUAFKIR-VXGBXAGGSA-N 302.374 3.575 0 40 DHAB C[C@H](CC(=O)OCc1coc(-c2ccccc2)n1)c1cccnc1 70040539 RZHYSLXUEUGBMP-CQSZACIVSA-N 322.364 3.974 0 40 DHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 71818775 UFMYQTKXHSGJJN-CYBMUJFWSA-N 323.318 3.714 0 40 DHAB CC(C)(C)CN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccnc1 71894149 JNICYNLABXSHNO-QWHCGFSZSA-N 314.351 3.622 0 40 DHAB Cc1nnc([C@H](C)Nc2ccc(OCc3ccccc3)nc2)o1 71902526 LDLRZEIIPSBKFH-LBPRGKRZSA-N 310.357 3.525 0 40 DHAB Cc1ccc(-c2nc3c(N)nc(-c4ccccc4)nc3o2)cc1 72238738 MEQJNZRXTRJJLV-UHFFFAOYSA-N 302.337 3.842 0 40 DHAB CCCOc1ccc([C@H](C)N[C@@H](C)c2nnc(C)o2)cc1OC 72281405 VBJCLMFNRHYJPY-RYUDHWBXSA-N 319.405 3.587 0 40 DHAB O=C(NCc1cccs1)c1cn[nH]c1-c1cccc(Cl)c1 72328865 CRIKXAOFDCIECC-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB Cc1csc(CNc2ccc(F)cc2OCC(F)F)n1 90996697 VXSFDOYCCMHAQZ-UHFFFAOYSA-N 302.321 3.847 0 40 DHAB COc1ccccc1CNc1cccc(CCN2CCCC2)c1 94014816 JEQOHNSLOPOXLA-UHFFFAOYSA-N 310.441 3.946 0 40 DHAB CC(C)n1ccc2c(C(=O)NCCc3nccs3)cccc21 95473625 XYPAPOWOQZAIRZ-UHFFFAOYSA-N 313.426 3.651 0 40 DHAB CCN(CC(C)C)C(=O)c1c[nH]nc1-c1ccccc1Cl 95964733 CVGUSDXVOWOLQM-UHFFFAOYSA-N 305.809 3.848 0 40 DHAB COc1ccc([C@H](C)N[C@@H]2CCc3c(O)cccc32)c(F)c1 95967725 IXUMBGROLHWLPR-APPDUMDISA-N 301.361 3.878 0 40 DHAB Cc1nn(-c2ccccc2)cc1CN[C@H](C)c1cncc(F)c1 96004794 GQUZPZNUBPYAKL-CYBMUJFWSA-N 310.376 3.566 0 40 DHAB CCc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1 96318724 JRZQUHUQGSXKOE-UHFFFAOYSA-N 323.440 3.912 0 40 DHAB CC[C@@H]([C@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96519540 YWJJZWUUUUAZFU-ZWKOTPCHSA-N 318.438 3.600 0 40 DHAB COc1ccccc1Oc1ccc(N[C@@H]2C[C@H](C)OC2=O)cc1 97212477 GMFHTNNRDDZBPX-SWLSCSKDSA-N 313.353 3.603 0 40 DHAB CCOc1ccc(C[C@H](Sc2ccccc2)C(=O)O)cc1 225108197 VOCWDIMPSBNTKJ-INIZCTEOSA-N 302.395 3.873 0 40 DHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)cc1 225619710 LATLIMNNBKEUAW-SFHVURJKSA-N 323.433 3.636 0 40 DHAB CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cn1 225898928 QYEUZMXDFSIIJL-UHFFFAOYSA-N 306.406 3.548 0 40 DHAB Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Cl)cc1 227145071 CQGQPNLVPSRVQS-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(C)c1 408700290 CROZZCOYZWAMPV-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3)S2)cc1 408775112 ODFJBWGYLQRJBL-XOQYZJNISA-N 310.422 3.849 0 40 DHAB Cc1nnccc1NC(=O)NC1(c2ccc(F)cc2)CCCC1 548522681 XHRPVCIICFMVRF-UHFFFAOYSA-N 314.364 3.515 0 40 DHAB Cc1noc(C)c1-c1noc([C@@H]2C[C@H]2c2ccc(F)cc2F)n1 560349745 WYKNZIHTEKGBIP-NWDGAFQWSA-N 317.295 3.891 0 40 DHAB Cc1nnc(CN(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)s1 585094492 QYIRACFTSHVAOS-MRVPVSSYSA-N 321.837 3.569 0 40 DHAB CCCCN1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 585100007 CGYBBJOIBKFKNH-FQEVSTJZSA-N 314.473 3.834 0 40 DHAB O=C(NCc1ccnc(-c2ccncc2)c1)Nc1cccs1 585350808 QQHKATVWJZIRIS-UHFFFAOYSA-N 310.382 3.527 0 40 DHAB CN(Cc1ccc(Cl)cc1Cl)c1ncnc2c1CCC2 728198567 KAJPBGUTUARTEF-UHFFFAOYSA-N 308.212 3.909 0 40 DHAB O=C(NCC[C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1F 1583999430 DLSOXWXWNWQVLL-LBPRGKRZSA-N 319.326 3.954 0 40 DHAB COc1cccc(-c2nn3c(-c4ccc(C)cc4)nnc3s2)c1 384983 KYOURWFDDGUWER-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB CC(C)c1ccc(NC(=O)C(=S)NCc2ccccc2)cc1 388914 CAPQLNNJBXCDJG-UHFFFAOYSA-N 312.438 3.866 0 40 DHAB CCc1ccccc1NCc1cc2ccc(OC)cc2[nH]c1=O 421141 ZEGHFRROXHELOE-UHFFFAOYSA-N 308.381 3.711 0 40 DHAB CC(C)OC(=O)c1c(NC(=O)C2CC2)sc2c1CCCCC2 484045 QFMLJLWDGGIZIJ-UHFFFAOYSA-N 321.442 3.931 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1[C@@H]1NC=Cc2ccccc21 1577828 AJSRKSMZXNELTH-WOJBJXKFSA-N 302.377 3.876 0 40 DHAB CC(=O)O[C@H]1c2ccccc2CCCCCCC12OCCO2 1634639 HTJROLSDJLQUBI-KRWDZBQOSA-N 304.386 3.541 0 40 DHAB Cc1c([C@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc2n1C 2046699 XSHJTDDKKHPCKY-MRXNPFEDSA-N 318.376 3.534 0 40 DHAB O=C(c1ccc(F)c(Cl)c1)c1ccccc1CN1CCC1 2515623 CVAUVMZTMIJYFE-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB Cc1ccc(N[P@@](C)(=O)c2nc3c(s2)CCCC3)cc1 3174752 QDNCSFTXOWZNGX-IBGZPJMESA-N 306.371 3.976 0 40 DHAB O=C(CN1CCCc2ccccc21)Nc1ccc(Cl)cc1F 5688500 VNYSTRJIFWEOOZ-UHFFFAOYSA-N 318.779 3.870 0 40 DHAB CCCc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1 6809933 XQAFLNRJBRQXRY-UHFFFAOYSA-N 315.398 3.726 0 40 DHAB Cc1ccc(OCCSc2nnc(NC3CC3)s2)cc1 7577566 IRMHLIFFDDAIPA-UHFFFAOYSA-N 307.444 3.592 0 40 DHAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCSc2ccccc21 7814040 VERSQFZJBFZKMW-OAHLLOKOSA-N 301.386 3.722 0 40 DHAB Cc1cc(CSc2nnc(-c3ccccc3Cl)n2C)no1 7836746 UAENCZHWLPRYLE-UHFFFAOYSA-N 320.805 3.724 0 40 DHAB COc1ccc(C(=O)NCc2ccc(F)cc2)c2ccccc12 8277485 JBOQYRROVCECLW-UHFFFAOYSA-N 309.340 3.918 0 40 DHAB O=C(Nc1ccccc1)Nc1nnc(-c2cccs2)s1 9167301 COFDIHZDVVMZPB-UHFFFAOYSA-N 302.384 3.911 0 40 DHAB aggregator COc1ccc(CCCC(=O)N2CCc3ccccc32)cc1C 9615099 HFYBHXUVRZOIFR-UHFFFAOYSA-N 309.409 3.916 0 40 DHAB CCCCN1C(=O)COc2ccc(NC(=O)C(CC)CC)cc21 12119094 DVODZEYRILHQFR-UHFFFAOYSA-N 318.417 3.587 0 40 DHAB C[C@@H]1CCCN(Cc2c(-c3ccncc3)[nH]c3ncccc23)C1 12222022 OSQQIODKZFQJED-CQSZACIVSA-N 306.413 3.857 0 40 DHAB COc1ccc2cc([C@@H]3NC(=O)c4ccccc4N3)ccc2c1 12536734 DUDNAJSTCLELTC-SFHVURJKSA-N 304.349 3.703 0 40 DHAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C)cc1Cl 13938129 VEQSFQPQWWLRPQ-ZDUSSCGKSA-N 323.845 3.996 0 40 DHAB CN(C)Cc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 14164754 MEFBPJSFPKBXSL-UHFFFAOYSA-N 317.820 3.723 0 40 DHAB CCN(CC(=O)N[C@@H](C)c1cccs1)Cc1cccc(F)c1 15368437 RPGHBNFAIKUANP-ZDUSSCGKSA-N 320.433 3.587 0 40 DHAB O=C(Nn1cnc2ccccc21)c1ccc(Cl)c(Cl)c1 15554024 RZXWVYJTHBHVHQ-UHFFFAOYSA-N 306.152 3.727 0 40 DHAB C[C@H]1C(=O)N(C/C=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 21268305 GAQUUOUGJXSBMN-GPAKFWEMSA-N 324.355 3.696 0 40 DHAB Cc1cccc(NC(=S)NC(=O)c2cccc(F)c2)c1C 21596231 NYNHMZCIROQLHY-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 32836304 GLHIUXSOKKVDII-APPZFPTMSA-N 321.289 3.620 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)N1CCc2ccccc2C1 38771913 UFGYNXAYHFHMOK-SFHVURJKSA-N 309.409 3.737 0 40 DHAB O=C(NCCN1CCCCCC1)c1cccc(Cl)c1Cl 40074565 ARTOPPOHGFFVKP-UHFFFAOYSA-N 315.244 3.599 0 40 DHAB Cc1cc(C)c(CNC[C@@H](O)c2ccc(F)c(F)c2)c(C)c1 40088598 JTYBYOVSNNCKOC-GOSISDBHSA-N 305.368 3.713 0 40 DHAB Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)ccc1F 40478366 AJFJNMDZTGQUIE-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB Cc1ccccc1CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 44999349 GAIKOEDGHMXSJO-IBGZPJMESA-N 321.424 3.927 0 40 DHAB Cc1cccc(-c2ncc(C(=O)O)c(NCc3ccccc3)n2)c1 49469794 BVPGGRSSQRGAIK-UHFFFAOYSA-N 319.364 3.762 0 40 DHAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NCc1ccccc1 49581112 MTFCVOVRLIBVAP-JKSUJKDBSA-N 304.434 3.612 0 40 DHAB Cc1nc(CN(Cc2cccs2)C[C@H]2CCCO2)oc1C 49982941 LNBAAFNEJWEAGE-CQSZACIVSA-N 306.431 3.534 0 40 DHAB CCOc1cccc(NC(=S)NCc2ccc(F)cc2)c1 54971768 LLMNDUKQGRKLAS-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1ccc(F)c(F)c1 58217994 YKFJTZRVAWRBPT-ZDUSSCGKSA-N 318.367 3.621 0 40 DHAB O=C(c1ccc2cc[nH]c2c1)N1CCO[C@H](c2ccccc2F)C1 66689797 QQRKLSAZQZGZRO-SFHVURJKSA-N 324.355 3.521 0 40 DHAB CCSc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cn1 68758589 JFTBJDWWQFONQJ-OAHLLOKOSA-N 313.426 3.566 0 40 DHAB CCn1c(CN(C)Cc2cnc(C)s2)nc2c(F)cccc21 69533141 LJQNQSIVZDDLGW-UHFFFAOYSA-N 318.421 3.592 0 40 DHAB O=C(Nc1cccc(-c2cccs2)c1)NC1CCC(O)CC1 69664360 OPBHVKLBHNOEAV-UHFFFAOYSA-N 316.426 3.840 0 40 DHAB CC[C@H](NC(=O)Nc1c(C)nn(C(C)C)c1C)c1ccncc1 76066213 GKEHEBQARXGGEL-HNNXBMFYSA-N 315.421 3.749 0 40 DHAB Fc1cccc(Cl)c1CSc1nc(-c2ccccn2)n[nH]1 78768235 WDUGVMUPBZQQFV-UHFFFAOYSA-N 320.780 3.952 0 40 DHAB O=C(CCc1ccccn1)N1CC2(CCCC2)c2ccccc21 81578583 YCKVBUCJKXAAAJ-UHFFFAOYSA-N 306.409 3.873 0 40 DHAB CCc1nc2ccccc2n1C1CCN(C(=O)c2ccco2)CC1 93021864 BODZYAFRULQAOO-UHFFFAOYSA-N 323.396 3.669 0 40 DHAB CS[C@H]1CCC[C@@H]1N(C)Cc1ccccc1-n1cccn1 93869420 HQKWLGOITZYIKZ-IRXDYDNUSA-N 301.459 3.588 0 40 DHAB Cc1ccccc1CNCCC1CCN(c2ccncc2)CC1 95462168 XNGBZRPBIHDRMK-UHFFFAOYSA-N 309.457 3.786 0 40 DHAB COc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2)c2ccccc12 95968454 RXBGKKFICYEPCW-ZIAGYGMSSA-N 309.413 3.994 0 40 DHAB CCn1c(C)nnc1CN[C@H](c1ccccc1Cl)C(C)C 95985229 FLGQQXYAFHHVBL-INIZCTEOSA-N 306.841 3.747 0 40 DHAB C[C@@H](NC1(c2cccc(F)c2)CCOCC1)c1ccccn1 95991471 OSACPJZEDAIHSI-CQSZACIVSA-N 300.377 3.577 0 40 DHAB CC(C)n1cc(N[C@H](C)c2cccc(N3CCOC3=O)c2)cn1 97231989 FPNREBHRHQSRSM-CYBMUJFWSA-N 314.389 3.594 0 40 DHAB Cc1cc2nc3c(nc2cc1C)[C@]1(C)CC[C@]3(C(=O)O)C1(C)C 100422017 OVYNUABZJBLWSS-OALUTQOASA-N 310.397 3.660 0 40 DHAB COc1ccc([C@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 100490481 RJYHUHMMBLCXKJ-YFYRFGBOSA-N 302.414 3.594 0 40 DHAB COc1ccccc1CCCNC(=O)Cc1ccc(C)cc1C 222690564 OCTGAMGTBJMEHQ-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB CCNC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224130991 QDBNUAHKIFOENP-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB Cc1csc(C(=O)N2CCC[C@H](Cc3cccnc3)C2)c1 257218284 DCNPSXMTUKBQDY-OAHLLOKOSA-N 300.427 3.546 0 40 DHAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(C(C)C)C1=O 409021715 UUPALBBFIFJSTK-RIYZIHGNSA-N 300.383 3.921 0 40 DHAB C[C@@H](NCc1ccccc1)c1nc([C@@H]2CCCSCC2)no1 575414974 DCWNRCLMDRMAOA-UKRRQHHQSA-N 317.458 3.921 0 40 DHAB CCC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 52486 ZPWOOAMJHFGCCP-UHFFFAOYSA-N 319.430 3.763 0 40 DHAB CCOC(=O)C(C)(C)C(=O)c1ccc2cc(OC)ccc2c1 346155 OPRYAIQCPUPDBU-UHFFFAOYSA-N 300.354 3.620 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 364838 ICVPZOYCUDJWBB-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB CCC(CC)c1nnc(NC(=O)Cc2ccccc2F)s1 2639358 OKNAMFVHSVIKRE-UHFFFAOYSA-N 307.394 3.762 0 40 DHAB Cc1nn(C)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 2741222 QHCLKUIGZYWSBO-UHFFFAOYSA-N 307.275 3.668 0 40 DHAB O=C(CCNC(=O)c1ccccc1)Nc1ccc2ccccc2c1 3456177 BYOXQDSVXHTISI-UHFFFAOYSA-N 318.376 3.598 0 40 DHAB CC1=N[C@@H](C)CNc2c1c(=O)n(-c1ccccc1)c1ccccc21 3844340 GXRMYUCHVVEEIH-ZDUSSCGKSA-N 317.392 3.614 0 40 DHAB biogenic Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@@H]2C1=O 4178114 OMWHWNXMGRTOLH-QXGSTGNESA-N 319.404 3.787 0 40 DHAB C[C@H]1CN1P(=O)(Oc1cccc2ccccc12)N1C[C@@H]1C 4722319 VHFHHVZUPGCQJK-IFHHFJDFSA-N 302.314 3.735 0 40 DHAB CC[C@](C)(CC(=O)NCc1ccco1)c1ccccc1OC 5245360 RWQAEHMFJOBCSS-GOSISDBHSA-N 301.386 3.662 0 40 DHAB Cc1cccc(NC(=O)CCc2nc(-c3ccccc3)no2)c1C 5533355 BOXMSDDTVGWSPA-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB C[C@H]1CCc2c(sc3ncnc(NCc4ccccn4)c23)C1 5658588 KVEJSIWIHFAHNK-NSHDSACASA-N 310.426 3.823 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccccc2F)cc1 5818284 YWGHYJLNWLMXBC-SFHVURJKSA-N 321.355 3.915 0 40 DHAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OC 6356030 LELRCBGRJFNWAZ-ADVUTCEVSA-N 321.398 3.539 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 6356056 JMGJDVRKPVEILW-XWTMOSNGSA-N 319.489 3.918 0 40 DHAB O=C(Cc1csc(-c2ccccc2)n1)NCCc1ccccc1 6764552 VTCXFUUMNMAIRM-UHFFFAOYSA-N 322.433 3.712 0 40 DHAB O=C(NCc1ccccc1)c1csc(-c2ccc(F)cc2)n1 7918475 JJDDMKUMBOEBFS-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB Cc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 8613176 MALGFTRNKLZGHH-IBGZPJMESA-N 314.473 3.866 0 40 DHAB Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2C)cc1 8916633 RVFQQPDMUCYTDS-KRWDZBQOSA-N 319.360 3.585 0 40 DHAB CCOc1ccc2cc(CNc3ccc(OC)cc3)c(=O)[nH]c2c1 12144307 YZADSCAZIVHNIY-UHFFFAOYSA-N 324.380 3.548 0 40 DHAB O=C(Nc1nc2c(s1)CCCCC2)c1cnc2ccccc2n1 14554412 IUMVTDJNPSLIJX-UHFFFAOYSA-N 324.409 3.608 0 40 DHAB COc1cc(CN2CCCCC[C@H]2c2cc(C)no2)ccc1O 19120247 BNUNRMVRUYLRDA-HNNXBMFYSA-N 316.401 3.815 0 40 DHAB COc1ccccc1CN1CCN(C2CCCCCC2)CC1 22032072 KCIAPRKVZCRXCL-UHFFFAOYSA-N 302.462 3.536 0 40 DHAB CCc1noc(CSc2nnc(-c3cc(C)cc(C)c3)o2)n1 22751079 CXSNXQAQIRCNCY-UHFFFAOYSA-N 316.386 3.591 0 40 DHAB C[C@H](NC(=S)Nc1ccccc1)c1ccc2c(c1)OCCO2 23107589 LTQVDMWBDXUKOM-LBPRGKRZSA-N 314.410 3.505 0 40 DHAB O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccc(Cl)cc12 33968182 YCSHECRLWLRDMM-UHFFFAOYSA-N 316.696 3.548 0 40 DHAB CCc1nc2ccc(C(=O)Nc3ccc(C)cn3)cc2nc1CC 40012883 KROMPNMXMQDKHK-UHFFFAOYSA-N 320.396 3.710 0 40 DHAB COc1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1OC 40097633 HVINIDMEOGGTTR-ZDUSSCGKSA-N 314.385 3.629 0 40 DHAB CCc1noc(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 46018797 WSSFNZKFBRHXEY-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB Cc1ccoc1C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 49590328 URDLNCYCRPGSQA-OAHLLOKOSA-N 311.385 3.982 0 40 DHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccco2)c1 49890972 FLZJYHMFEFXFSW-AWEZNQCLSA-N 301.386 3.795 0 40 DHAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[C@@H]1C=CCC1 50383406 VCAHFAMSKJQIGY-OAHLLOKOSA-N 314.429 3.676 0 40 DHAB CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 55910996 ZFZSLEZEGWFBLR-MSOLQXFVSA-N 319.420 3.593 0 40 DHAB Cc1noc(C)c1CS[C@@H](C)C(=O)N(C)c1ccccc1 57654573 CQCDUTWCZUOXKK-ZDUSSCGKSA-N 304.415 3.576 0 40 DHAB Cc1cc2nnc(SCc3ccncc3)n2c2ccccc12 60709428 BSUIASAOERMRJO-UHFFFAOYSA-N 306.394 3.878 0 40 DHAB C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccccc1 68592947 HKNRFSKVNVFHFO-HOCLYGCPSA-N 304.434 3.564 0 40 DHAB CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 68708939 VEVRPWOVEZKKPT-CJNGLKHVSA-N 320.408 3.873 0 40 DHAB O=c1c2ccccc2nc(NCc2ccccn2)n1C1CCCC1 69302135 LKCQIEXAPOEDMX-UHFFFAOYSA-N 320.396 3.519 0 40 DHAB Cc1ccccc1[C@@H]1CCN(C(=O)CCc2ccccc2O)C1 69509070 IGLVLJMQRCUASB-QGZVFWFLSA-N 309.409 3.649 0 40 DHAB Cc1ccoc1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 69581742 RMPHZYVZGMXTJF-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB CCC(CC)C(=O)NCCCn1ncc2c(Cl)cccc21 71196109 KKQUUAQVPTXDFR-UHFFFAOYSA-N 307.825 3.632 0 40 DHAB Fc1ccc(-c2nnc(C3(c4ccccc4)CCOCC3)o2)cc1 71889570 JXLPLKXHCYFBPA-UHFFFAOYSA-N 324.355 3.972 0 40 DHAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1cccc2[nH]ccc12 72401911 FQLBAVGMMJVNLL-UHFFFAOYSA-N 322.364 3.510 0 40 DHAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)C1CCC1 79493270 MPTRQVHSHYSGRQ-UHFFFAOYSA-N 309.325 3.562 0 40 DHAB CCOP(=O)(Cc1ccc(Br)cn1)OCC 91294559 FXHRUJPAPFLBML-UHFFFAOYSA-N 308.112 3.610 0 40 DHAB Cc1noc(C)c1CC(=O)NCC1(c2cccs2)CCCC1 96120208 QLISVUXZHNLDLA-UHFFFAOYSA-N 318.442 3.524 0 40 DHAB COc1ccc2oc([C@@H](C)NCc3nnc(C)s3)c(C)c2c1 97057273 OKFCAIMMXXUBRW-SNVBAGLBSA-N 317.414 3.761 0 40 DHAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)c(F)c1 100330101 KJMFEKZUTNZVJC-SKLAPFLYSA-N 304.361 3.757 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](SC1=NN[C@H]3CCCC[C@H]13)C2=O 100987905 XJRJIPQHVKZMKW-ZBRGCBALSA-N 306.475 3.589 0 40 DHAB O[C@](CNc1nc2ccccc2o1)(c1ccccc1)C(F)(F)F 171987247 CXUGKWBBMMWJFF-OAHLLOKOSA-N 322.286 3.690 0 40 DHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccccc1 224153617 ARZMFJYOTVDJAS-IAGOWNOFSA-N 320.421 3.587 0 40 DHAB COc1ccc(Cl)cc1C[C@H](Oc1ccc(C)cc1)C(=O)O 225119916 XNJAGJGMHALCTB-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CC(C)n1cccc1CNC(=O)c1ccc2[nH]c(Cl)nc2c1 225984408 OKCIEQQCXCKLLJ-UHFFFAOYSA-N 316.792 3.529 0 40 DHAB Cc1ccc(OC[C@@H](O)CN2CCCC[C@H]2C)c(C(C)(C)C)c1 252445482 OFEQUOJOHSEPLP-SJORKVTESA-N 319.489 3.907 0 40 DHAB Cc1ccc2c(c1)N[C@@H](c1ccc(C(=O)O)cc1)c1cccn1-2 138127 LYIUGKBSPWTUGL-SFHVURJKSA-N 304.349 3.999 0 40 DHAB in-vitro O=C(CSCc1ccccc1F)N1CCc2ccccc21 260386 LDBBPZWTOBHXRE-UHFFFAOYSA-N 301.386 3.648 0 40 DHAB C[C@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1 406512 QTEDIMBXZHKQES-PBHICJAKSA-N 309.365 3.900 0 40 DHAB biogenic CCOc1ccc([C@@H](NC(=O)CC)c2ccc(OC)cc2)cc1 509459 SWAPVXBLRUCLMN-IBGZPJMESA-N 313.397 3.710 0 40 DHAB CCOc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1 530170 WZROQQQMEKDVDC-MSOLQXFVSA-N 320.396 3.823 0 40 DHAB Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)C2CC2)s1 1345330 BMSNTZBHLLDZOS-UHFFFAOYSA-N 315.442 3.913 0 40 DHAB Cc1ccc([C@H](c2ccccc2)C(CC(=O)O)CC(=O)O)cc1 1632907 ZRZLIGARUAPHMR-IBGZPJMESA-N 312.365 3.693 0 40 DHAB C[C@@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 3430364 NESDCFDXACWLEX-CQSZACIVSA-N 304.397 3.928 0 40 DHAB CCCCCc1nnc(NC(=O)c2cccc(OC)c2)s1 3557749 KTYCPMXSFRTRKC-UHFFFAOYSA-N 305.403 3.532 0 40 DHAB COC(=O)c1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 5586282 JXQJXEDDXSLREJ-YRNVUSSQSA-N 305.333 3.897 0 40 DHAB O=C(NCc1ccccc1F)c1cccc(Br)c1 6260720 YXTODNDXQOURRT-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB O=C(OCCCCOC(=O)[C@@H]1CC=CCC1)c1ccccc1 6474651 LZSQOJLCHBXOQI-MRXNPFEDSA-N 302.370 3.523 0 40 DHAB CC[C@H](C)[C@@H](Nc1nc(C)nc2c1oc1ccccc12)C(=O)O 6954255 VBWVTQZYKNGRSQ-TVQRCGJNSA-N 313.357 3.596 0 40 DHAB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)O 6960985 DWQWZORJBXDDNW-YBFXNURJSA-N 313.353 3.608 0 40 DHAB Cc1ccccc1-c1nc2ccc(NC(=O)[C@H]3CCCO3)cc2o1 8188428 RWXKJLLGPUTIHN-MRXNPFEDSA-N 322.364 3.921 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 8280665 HBMLIQJWCOUHGV-AWEZNQCLSA-N 305.381 3.910 0 40 DHAB C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccco1 8359973 LOOYRSZLGMZRTI-SNVBAGLBSA-N 313.275 3.555 0 40 DHAB O=c1[nH]nc(Cc2ccc(Cl)cc2Cl)c2ccccc12 8830194 ZDMWDTNIEOVGRF-UHFFFAOYSA-N 305.164 3.821 0 40 DHAB COc1ccc(-c2csc(CC(=O)Nc3ccccc3)n2)cc1 9971503 JTPCYGWNTNGMSL-UHFFFAOYSA-N 324.405 4.000 0 40 DHAB COc1ccc(OC[C@H](C)NC(=O)c2cccc(Cl)c2)cc1 10542496 RYIUBADEZWPSDO-LBPRGKRZSA-N 319.788 3.546 0 40 DHAB CCC(CC)(CC(=O)Nc1ccc2nc(C)sc2c1)C(=O)O 11256412 FPNFVRHCJXLHRW-UHFFFAOYSA-N 320.414 3.824 0 40 DHAB CCCCCNC(=O)c1sc2nc(CC)nc(C)c2c1C 12895377 BGLJDAQKGNCGJV-UHFFFAOYSA-N 305.447 3.791 0 40 DHAB O=C(Nc1ccccc1Cl)c1cc2ccccc2o/c1=N\O 13111894 OWOJXSBCYNIQEK-MNDPQUGUSA-N 314.728 3.628 0 40 DHAB COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1cccs1 14258411 CDSONPXHXHBICD-UHFFFAOYSA-N 318.398 3.604 0 40 DHAB C[C@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1 16921987 WRTZIZLYEBYQAJ-CRAIPNDOSA-N 323.392 3.770 0 40 DHAB biogenic Cc1ccccc1Nc1nc(NC2CCCC2)nc2c1cnn2C 17136015 YTAJLWDIIXIXQV-UHFFFAOYSA-N 322.416 3.770 0 40 DHAB COc1ccc(CN2CCCCC[C@H]2c2cc(C)on2)cc1O 19119395 FLSBELFFSWFAMO-INIZCTEOSA-N 316.401 3.815 0 40 DHAB O=C1Oc2nc3ccccc3cc2CN1Cc1ccccc1F 19376301 RGMOXQJZPFHVNL-UHFFFAOYSA-N 308.312 3.889 0 40 DHAB Cc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 27970395 CDGPZWRGNVPFJE-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccnc1 30756155 HOOGOZRWCQLSFG-SFHVURJKSA-N 320.392 3.709 0 40 DHAB Cc1nc(-c2cccs2)ccc1C(=O)N1CCC(C)CC1 32200202 LOFXMKJQTJWBCG-UHFFFAOYSA-N 300.427 3.991 0 40 DHAB Cc1cc(C)cc(NC(=O)CCCc2nc(C(C)(C)C)no2)c1 32656088 PWTJUGBGSIUEHK-UHFFFAOYSA-N 315.417 3.945 0 40 DHAB O=C(CCc1ccccc1)Nc1cccc(Oc2cnccn2)c1 33136203 SLLQGOBBSBVSSV-UHFFFAOYSA-N 319.364 3.840 0 40 DHAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)c1 36635470 MABHEVIOUKQMLD-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CCOC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1 40049534 NVXJNSIJVMBRGZ-DOMZBBRYSA-N 304.390 3.564 0 40 DHAB Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](C)c1ccncc1 69367429 HKXCFRNJPYLASB-GFCCVEGCSA-N 307.353 3.536 0 40 DHAB Cc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(O)c2)s1 71908396 RGWPTOVIXMKDNN-HNNXBMFYSA-N 301.411 3.668 0 40 DHAB CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)[nH]n1 72285938 JQWLXAJIMFNNSN-LBPRGKRZSA-N 318.446 3.531 0 40 DHAB CC(C)OC(=O)[C@@H](C)CNC(=O)Nc1cccc2ccccc12 72303874 GDEYDVHDHXQDBV-ZDUSSCGKSA-N 314.385 3.549 0 40 DHAB CC[C@@H](NC(=O)[C@H]1CC12CCOCC2)c1ccc(Cl)cc1 75093395 UYPXODCAMSFJIG-HUUCEWRRSA-N 307.821 3.724 0 40 DHAB Cc1ccc2[nH]cc(-c3nc(-c4ccc(F)cc4)no3)c(=O)c2c1 75352731 GHLXYKFGAIEFGO-UHFFFAOYSA-N 321.311 3.693 0 40 DHAB CCN(C)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 78814565 ZMWHCDGJPKWUDA-JOCHJYFZSA-N 322.474 3.752 0 40 DHAB CNC1CCC(N(C(=O)OCc2ccccc2)C(C)C)CC1 79437856 UZBZYGMPXCBOKP-UHFFFAOYSA-N 304.434 3.564 0 40 DHAB CC(C)CCC(=O)Nc1nc2ccccc2nc1N1CCCC1 84510171 FJXUMOSMTDLELK-UHFFFAOYSA-N 312.417 3.605 0 40 DHAB Cc1cc(C(=O)Nc2cnn(-c3ccccc3F)c2)c(C)s1 88232332 RZZPOEDTYFVVGC-UHFFFAOYSA-N 315.373 3.942 0 40 DHAB Cc1nc(COC(=O)c2cccc(Oc3ccncc3)c2)oc1C 89558546 PTAQNSVUJYELGC-UHFFFAOYSA-N 324.336 3.836 0 40 DHAB Cc1ccc(NCc2nc(C)ccc2O)c(Br)c1 91993461 YDAIJPNPFVUMKA-UHFFFAOYSA-N 307.191 3.779 0 40 DHAB COc1ccccc1NC1CCN(Cc2scnc2C)CC1 93817236 MXSOUNQOYVIXOS-UHFFFAOYSA-N 317.458 3.537 0 40 DHAB CCNCc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C 95971527 BQJFOGIYGGMQMJ-MSOLQXFVSA-N 308.425 3.847 0 40 DHAB CC(C)[C@@H]1CN(C)CCN1Cc1ccc(CSC(F)F)o1 96003693 TWMGANMPZHXDMT-AWEZNQCLSA-N 318.433 3.507 0 40 DHAB O=C(c1ccco1)c1ccc(CNC(=O)[C@H]2CC=CCC2)s1 96119805 ATCCXLRMPZLGQM-LBPRGKRZSA-N 315.394 3.545 0 40 DHAB CC[C@](CNC(=O)c1cccc(F)c1)(OC)c1ccccc1 96123687 OQLDWFMPDHQCKL-GOSISDBHSA-N 301.361 3.507 0 40 DHAB CC(C)N(C(=O)[C@@H](C)OC1CCCCCC1)C1CCOCC1 96472537 TZNDDVCNEOLAFX-OAHLLOKOSA-N 311.466 3.530 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NC[C@@H]1CCN(C2CC2)C1 96476608 YWNSPUQHHJOWJP-YJBOKZPZSA-N 312.457 3.507 0 40 DHAB C[C@H](Oc1ccc(CC(=O)O)cc1)c1nc(-c2ccccc2)no1 96997262 ROVTUPDRPFNOBU-LBPRGKRZSA-N 324.336 3.504 0 40 DHAB CCCC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 100425223 LYBYVMGPMFNGFC-OALUTQOASA-N 314.473 3.797 0 40 DHAB CC(C)C(=O)N1CC[C@H](N[C@H](C)c2cc(F)ccc2F)[C@H](C)C1 107058497 AESHEFFZZCIMHS-XNJGSVPQSA-N 324.415 3.508 0 40 DHAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)[nH]1 222587974 KPWJNUCQURHGGQ-XZJROXQQSA-N 312.442 3.616 0 40 DHAB O=C(COc1cccc2c1CCCC2)NCC1CCCCC1 225203233 WMVQJTHSABYGEQ-UHFFFAOYSA-N 301.430 3.641 0 40 DHAB CSc1nnc(NC(=S)Nc2ccc(Cl)cc2)s1 225466686 IZADBFZGGOOLNF-UHFFFAOYSA-N 316.864 3.722 0 40 DHAB CCOc1c(C)cc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C 225725181 NBSJZCZCSJHRDW-SFHVURJKSA-N 305.418 3.846 0 40 DHAB Fc1cccc(Cc2cnc([C@H]3CCCN(CC4CC4)C3)o2)c1 257275805 NQYRBWBRRFDEMP-INIZCTEOSA-N 314.404 3.994 0 40 DHAB c1csc(CN2CCn3c(-c4cccs4)cnc3C2)c1 306136334 PQGXOVUVZRDXLL-UHFFFAOYSA-N 301.440 3.689 0 40 DHAB CCOc1ccc(CNC(=O)c2ccccc2F)cc1OCC 408678360 FZUJZBODBNCVET-UHFFFAOYSA-N 317.360 3.553 0 40 DHAB CCCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 408707709 CKPURWOGUMUQGN-UHFFFAOYSA-N 304.434 3.619 0 40 DHAB O=C(Cc1cccs1)N[C@H](c1cccs1)C1CCOCC1 618255348 BJTIJOIGNUIMJO-INIZCTEOSA-N 321.467 3.636 0 40 DHAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1CC[C@@H](c2ccccc2)C1 634861781 HGBJYUWCBGOAEG-VQIMIIECSA-N 317.429 3.530 0 40 DHAB C/C=C/C(=O)OCCCC(F)(F)C(F)(F)Br 1083811003 LFUVXFOWGRJBFL-DUXPYHPUSA-N 307.081 3.509 0 40 DHAB COc1ccccc1-c1nc(CSc2ccccc2N)no1 111121 CQHWKYVTLFMQFL-UHFFFAOYSA-N 313.382 3.620 0 40 DHAB O=C(NC(=S)NC1CCCCCC1)c1ccccc1Cl 146570 BWCGSCOKYCZTEH-UHFFFAOYSA-N 310.850 3.667 0 40 DHAB FC(F)Oc1ccccc1NC(=S)NCCc1ccccc1 374509 ASRYLQXOZGVHOZ-UHFFFAOYSA-N 322.380 3.817 0 40 DHAB CCCn1c(COc2ccc(C(=O)O)cc2)nc2ccccc21 811124 PSGMVGSXXBIFRZ-UHFFFAOYSA-N 310.353 3.724 0 40 DHAB CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)O 2449942 RBDLKXJIZFHGMD-SJORKVTESA-N 317.429 3.706 0 40 DHAB COC(=O)c1ccc(COC(=O)c2c(F)cccc2Cl)cc1 3246313 QGUSBIVBAMAAMF-UHFFFAOYSA-N 322.719 3.623 0 40 DHAB CCC[C@@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3290066 JHMQAJWLECRXCL-SECBINFHSA-N 318.200 3.911 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ncc(C)s3)cc2)n1 3555812 YKCQWKZWLLATTP-UHFFFAOYSA-N 312.398 3.506 0 40 DHAB CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 4292067 JNQNVWRPMLUPAF-KRWDZBQOSA-N 300.308 3.662 0 40 DHAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccn2C)N3)C1 4571588 QXCAKQZLDRSSMA-YMTOWFKASA-N 301.415 3.640 0 40 DHAB C[C@H](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1CCCCC1 4690984 DKXIVGVTWYAFDZ-ZDUSSCGKSA-N 320.408 3.629 0 40 DHAB O=C(COC(=O)C1CCC1)Nc1ccc(-c2ccccc2)cc1 6639042 CYHKNDPRYVSAHY-UHFFFAOYSA-N 309.365 3.635 0 40 DHAB CC[C@@H](CO)NCc1cccc(OCc2ccccc2Cl)c1 8326383 SRRTZUFJSDKPLK-INIZCTEOSA-N 319.832 3.780 0 40 DHAB Cc1ccc2c(c1)CNC[C@]1(CCCN(Cc3ccccc3)C1)O2 12122986 CLTJTUMRSISCCL-NRFANRHFSA-N 322.452 3.512 0 40 DHAB CC(C)N1CCC(CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 12442786 JZSUXLAMAQECJG-UHFFFAOYSA-N 316.489 3.834 0 40 DHAB COc1ccccc1-c1cc(Cn2cnc3ccccc32)on1 12540390 BVUSJMZDWZYGGB-UHFFFAOYSA-N 305.337 3.748 0 40 DHAB Cc1ccc2c(CN(C)CCOc3ccccc3)cc(=O)oc2c1 12856553 WAWYRJOCHVPIIX-UHFFFAOYSA-N 323.392 3.612 0 40 DHAB O=C(Cc1ccc2c(c1)CCCC2)N[C@@H]1CCOc2ccccc21 12926315 ISUFBWXFBYVFRV-LJQANCHMSA-N 321.420 3.748 0 40 DHAB CC[C@H](NC(=O)Nc1ccccc1OC)c1ccc(OC)cc1 18173833 YKEUUYGSMHTAAF-HNNXBMFYSA-N 314.385 3.977 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CCCCC1 27975675 RFJZSSDJSFUAFI-GOSISDBHSA-N 301.430 3.782 0 40 DHAB CN(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 28281079 QSAIXKBJJAKBPX-UHFFFAOYSA-N 324.409 3.523 0 40 DHAB COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)C(C)(C)C 28465848 SKGBQPQCROIKGB-UHFFFAOYSA-N 319.792 3.790 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2C)cc1 28580351 LKLGABHLBWPQAB-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB CSCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 30392126 FKSBYQDJWXUWLI-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB NC[C@@H](CCO[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 34625814 SGVWGQRMFAWWKV-DOMZBBRYSA-N 318.244 3.969 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc12 40034730 IQUBSQGYBVEICN-YWPYICTPSA-N 315.417 3.901 0 40 DHAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@H]1c1ccsc1 40107770 WPKOJKRBYFYYQI-AWEZNQCLSA-N 313.382 3.709 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc(N(C)C)cc3C)[nH]c2c1 40111664 MEUGAXJLTXRLDW-UHFFFAOYSA-N 323.396 3.803 0 40 DHAB Cc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1Cl 41095609 QSJGVCFPMMDKRC-UHFFFAOYSA-N 301.839 3.602 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1 47344628 IDXWRSUHTYBBFN-QGZVFWFLSA-N 313.401 3.519 0 40 DHAB COc1ccccc1[C@H](C)N(C)Cc1noc(C(C)(C)C)n1 47886003 UFLZRBHSPSYGRB-LBPRGKRZSA-N 303.406 3.569 0 40 DHAB C[C@H](Nc1ccc(Br)cc1)c1nc(C2CC2)no1 48674220 ZYQWXDUVYBDSEX-QMMMGPOBSA-N 308.179 3.883 0 40 DHAB O=C(Nc1nnc(-c2ccsc2)o1)c1c[nH]c2ccccc12 49449029 BOYZVNFISWMXTO-UHFFFAOYSA-N 310.338 3.532 0 40 DHAB C[C@H](Sc1nncn1Cc1ccco1)c1ccc(F)cc1 58161960 YRCJGGGXOCOICQ-NSHDSACASA-N 303.362 3.912 0 40 DHAB Cc1nc(/C=C/C(=O)N(Cc2ccccc2F)C2CC2)cs1 69535905 ASHOEQIOXQRISW-RMKNXTFCSA-N 316.401 3.795 0 40 DHAB CC(C)c1noc(CNC2(c3ccc(F)cc3)CCCC2)n1 69617073 FKSRCMJOBPNEQS-UHFFFAOYSA-N 303.381 3.891 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@H]1c1ccc(F)cc1 69753514 NLJSFSIGGQZNGW-LSDHHAIUSA-N 316.401 3.580 0 40 DHAB C[C@H]1C[C@@H](C)N(C(=O)c2cc3cc(F)ccc3o2)c2ccnn21 71910373 AJLZHYJPVVEBBB-MNOVXSKESA-N 313.332 3.768 0 40 DHAB COc1ccc(-c2cc(-c3cccc(C)c3)nc(N)n2)c(OC)c1 71977508 OHJFFDXPQRGPJE-UHFFFAOYSA-N 321.380 3.718 0 40 DHAB COc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c(C)n1 72218104 WEAHVCBVSHFEDX-AWEZNQCLSA-N 306.406 3.861 0 40 DHAB COc1ccc(-c2ccc(C[C@H]3CCCN(C(C)=O)C3)cn2)cc1 72360762 OUUSEPMKEVSEFH-QGZVFWFLSA-N 324.424 3.558 0 40 DHAB O=C1CCC(c2ccc(Cl)cc2)=NN1CN1CCCCCC1 72405337 HALOUKWKZVUWLW-UHFFFAOYSA-N 319.836 3.500 0 40 DHAB COc1cccc2c1O[C@H](C)C(=O)N(c1ccccc1Cl)C2 75165541 RUSZGAFMVUKORM-LLVKDONJSA-N 317.772 3.663 0 40 DHAB COCCC(=O)Nc1cc(C)ccc1SCC(F)(F)F 76448196 UBMYZFQVDFVKTP-UHFFFAOYSA-N 307.337 3.624 0 40 DHAB C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1nnc(C2CC2)o1 77176911 WZIOGNVJUIRDRT-LLVKDONJSA-N 305.809 3.663 0 40 DHAB O=C(OC1CCCC1)N1CCN(C2CC2)C[C@@H]1c1ccccc1 85472656 ZLSAUTLPGFPTBO-GOSISDBHSA-N 314.429 3.587 0 40 DHAB COc1ccc(-c2n[nH]cc2CNc2cccc(F)c2F)cc1 89453979 JYRWVMLJWHAGKJ-UHFFFAOYSA-N 315.323 3.976 0 40 DHAB CCCOc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1cn[nH]c1 89960318 HVQDECJEIRKSFV-JTQLQIEISA-N 322.796 3.735 0 40 DHAB Cc1cc(OC(C)C)ccc1NC(=O)N(C)Cc1nccs1 95405897 RBWQJHZFBQCEPO-UHFFFAOYSA-N 319.430 3.903 0 40 DHAB CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)OC(C)(C)C 95435789 UZHQLZXJCHXITK-AWEZNQCLSA-N 306.406 3.565 0 40 DHAB Cc1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cn1 96161147 WRBRBVPXZIEJFI-UHFFFAOYSA-N 304.393 3.591 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=O)CCn2ncc3ccc(Cl)cc32)C1 96181975 KGUDWFVXJPRXHF-STQMWFEESA-N 319.836 3.584 0 40 DHAB Clc1cc2ccccc2c(N2CC[C@@H](N3CCCC3)C2)n1 96844795 DXEOKBWEUNPAQG-CQSZACIVSA-N 301.821 3.563 0 40 DHAB COc1cc(C)ccc1NC1CCN(C(=O)CC(C)(C)C)CC1 97045860 JKXCEAJKPMAVEN-UHFFFAOYSA-N 318.461 3.843 0 40 DHAB C[C@H](CN1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1 187179471 ASAVMGWYHDAVAO-CQSZACIVSA-N 320.864 3.530 0 40 DHAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1 223433401 XCJMOPMYTQTWEN-UHFFFAOYSA-N 313.831 3.863 0 40 DHAB O=C(O)c1cccn1-c1ccc(Br)c(Cl)c1 223730581 GYPIKUPWSNYEER-UHFFFAOYSA-N 300.539 3.591 0 40 DHAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1 224082908 CBRUOECKPLUJNC-UHFFFAOYSA-N 313.397 3.660 0 40 DHAB CCOc1ccc(C(N)=O)cc1COc1cccc2ccccc12 224627603 XEDCFILZGNXGTG-UHFFFAOYSA-N 321.376 3.916 0 40 DHAB CCOc1ccc(C(=O)NCCC(C)C)cc1COC(C)C 224720821 ZLPXYTDVPLEPSM-UHFFFAOYSA-N 307.434 3.786 0 40 DHAB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)c(Cl)c1 225005295 DFQJAODMUYKSSZ-UHFFFAOYSA-N 316.832 3.905 0 40 DHAB Cc1cc(S(=O)(=O)Nc2cccc(OC(C)C)c2)ccc1F 225605894 CVSRDMDOQRAQAB-UHFFFAOYSA-N 323.389 3.722 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc3cccc(C)c3oc2=O)c1 226035143 XQHFFNYPBNISKM-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB Cc1c(N)cccc1-c1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)o1 226301826 VQWBTYJTAKOHCJ-BETUJISGSA-N 312.413 3.955 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 245228481 ZVIFKIHTQYLPRS-ULQWZQFMSA-N 301.430 3.703 0 40 DHAB C[C@@H]1CCCCN1C[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531633 JVWNDFSGDRHMEI-HGJKNBTDSA-N 323.521 3.843 0 40 DHAB C[C@H]1C[C@@H](C)[C@@H](C)C[C@@H]1NC(=O)c1nc(Cl)c(Cl)[nH]1 255188730 LEILTLAATFEQFY-XGEHTFHBSA-N 304.221 3.517 0 40 DHAB Cc1nc2cc(C(=O)Oc3ccc(Cl)cc3)ccc2n1C 261381587 LRSLODQXSXTCPK-UHFFFAOYSA-N 300.745 3.754 0 40 DHAB Cc1cc(F)cnc1C(=O)N1CCC(Cc2ccccc2)CC1 1889148766 CASVKFVGRJZGGZ-UHFFFAOYSA-N 312.388 3.624 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1 515034 MRBACZSMSNEKRM-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB Cc1cc(CNC(=O)c2c(F)cccc2F)c2ccccc2n1 1422050 VLGWKSBMUUILCU-UHFFFAOYSA-N 312.319 3.751 0 40 DHAB CC(C)(C)OC(=O)N1CCO[C@@](C)(c2ccc(Cl)cc2)C1 1436145 GFOKOPAQAGLVHF-MRXNPFEDSA-N 311.809 3.823 0 40 DHAB COC(=O)CSC(=O)N(c1ccccc1)c1ccccc1 1682951 RERRFXKIHCCSMG-UHFFFAOYSA-N 301.367 3.851 0 40 DHAB O=C(OCCCCCOC(=O)c1ccccc1)c1ccccc1 1684767 UMNVFYKZOXQOLL-UHFFFAOYSA-N 312.365 3.871 0 40 DHAB C[C@@H]1CCCN(Cn2nc3sc4ccccc4n3c2=S)C1 3314793 QBYHBBXKGAHSMS-LLVKDONJSA-N 318.471 3.769 0 40 DHAB Cc1ccc(F)cc1NCC(=O)Nc1ccc(Cl)cc1F 3398541 ZVHHPTZIWZYKJO-UHFFFAOYSA-N 310.731 3.977 0 40 DHAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(C)cc1 3590868 IQLLJGGNQXKARC-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB COc1ccc(Cl)cc1NC(=O)COc1c(C)cccc1C 3608691 WTEUCXSOEZVFLD-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB O=C(O)[C@@H]1CC(c2ccc(F)cc2)=Nc2ccccc2S1 4137241 HYRNGOMMJVNASV-HNNXBMFYSA-N 301.342 3.896 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c(F)c1 5782696 SVHXYODSPGLYRE-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)c1cc(=O)c2ccccc2o1 6416373 GYVSWRTZLKIKNS-CQSZACIVSA-N 321.376 3.544 0 40 DHAB COc1ccc(-c2nc(CSc3ncccn3)cs2)cc1 6913923 HEQMOOXRPAHYCE-UHFFFAOYSA-N 315.423 3.901 0 40 DHAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)cc1 6928601 OBRPXHNAQDMRAJ-MRXNPFEDSA-N 321.829 3.696 0 40 DHAB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)c(C)c1C 7507333 ABVIPSOBSFXIJS-UHFFFAOYSA-N 301.411 3.529 0 40 DHAB C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13671672 ZJUBQXIBYWGUBD-SNVBAGLBSA-N 322.257 3.555 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 14006559 URFTZCFXLQQZMM-SNVBAGLBSA-N 323.751 3.894 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 14737981 KVILFADKFUXQBD-DLBZAZTESA-N 311.425 3.900 0 40 DHAB COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2)c1 19565998 BBTRJBRIOVGVLB-SQGPQFPESA-N 324.424 3.522 0 40 DHAB COc1ccc(-c2ccnc3nc4ccccc4n23)cc1OC 20635286 KCCMBAANZOJGBU-UHFFFAOYSA-N 305.337 3.567 0 40 DHAB Cc1ccoc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 22088844 KHGYDWAWKFPQHY-UHFFFAOYSA-N 307.353 3.515 0 40 DHAB CC[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 24255416 JTIYAINVUVYNAK-INIZCTEOSA-N 302.805 3.680 0 40 DHAB O[C@@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 25052436 WSZJDFJBFXFUQG-AWEZNQCLSA-N 306.287 3.789 0 40 DHAB COc1ccccc1COC(=O)Cn1c(C)cc2ccccc21 25190741 YVFKWNQYLKXRCI-UHFFFAOYSA-N 309.365 3.702 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 25727453 SMYKNLBAQOXLOX-JQWIXIFHSA-N 312.335 3.900 0 40 DHAB O=C(Nc1ccc2c(c1)CCO2)c1cc2ccccc2cc1O 31343411 MZIPABFJFHIBFB-UHFFFAOYSA-N 305.333 3.733 0 40 DHAB COc1ccc(-c2csc(CCNC(=O)CC(C)C)n2)cc1 31848762 OSFUADADCAGFFY-UHFFFAOYSA-N 318.442 3.524 0 40 DHAB C[C@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccccc1 32833000 AGYKUKOOKDXIJC-LBPRGKRZSA-N 310.328 3.972 0 40 DHAB Brc1ccccc1C1=N[C@H](c2ccccc2)CO1 38600166 VHKCPSPWIFJAKI-AWEZNQCLSA-N 302.171 3.967 0 40 DHAB COc1ccc([C@H](O)c2cccc(Br)c2)cc1F 40263033 UWDVYTZTNSOBBO-CQSZACIVSA-N 311.150 3.679 0 40 DHAB Cc1cc(C)c2ccc(NC(=O)c3ccc(F)c(F)c3)nc2n1 40818276 NNTZAPUWARKRRS-UHFFFAOYSA-N 313.307 3.777 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2ccc(F)cc2F)cc1 48226760 GVYSMCXNAPBUFB-UHFFFAOYSA-N 322.380 3.639 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)N(C)C(C1CC1)C1CC1 51239927 IJLVQGQRWHXMEV-GFCCVEGCSA-N 302.418 3.586 0 40 DHAB Cc1nc2ccccc2n1C[C@H](O)c1ccc(OC(F)F)cc1 58140460 BBQRVNLGANCMLJ-INIZCTEOSA-N 318.323 3.680 0 40 DHAB Cc1ccc(C)c(NC(=O)CNCc2ccc(Cl)cc2)c1 58171223 UKVOCCWSSMMAOV-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB C[C@H](c1ccncc1)N(C)C(=O)c1cc(-c2ccccc2)no1 58367616 ORQBVXHUKAVWJQ-CYBMUJFWSA-N 307.353 3.570 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cnn(Cc3ccncc3)c2)C1(C)C 65566165 XNUZINIUJVYDOW-SJORKVTESA-N 324.428 3.503 0 40 DHAB Cc1nc2ccc(NC(=O)Cc3ccn(C(C)C)n3)cc2s1 72302645 XYVBEVNCWCGKBZ-UHFFFAOYSA-N 314.414 3.563 0 40 DHAB CC1(c2nnc(Cc3ccc4ccccc4c3)o2)CCOCC1 75134657 GSWVLJFEXJYNHN-UHFFFAOYSA-N 308.381 3.882 0 40 DHAB Brc1cccc2c(I)c[nH]c12 80441396 ZMUHZDSLSUUPGS-UHFFFAOYSA-N 321.943 3.535 0 40 DHAB C/C=C/CSCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 83633440 HOFMDBFDDJTWPV-SNAWJCMRSA-N 315.442 3.737 0 40 DHAB CN(Cc1cccc(C(N)=O)c1)[C@H](c1ccccc1)C(F)(F)F 95947676 RJDZXGBTEUUXNR-OAHLLOKOSA-N 322.330 3.521 0 40 DHAB C[C@H]1NC(=O)O[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 98090135 OHIDCVTXTYVGRO-ANLVUFKYSA-N 313.197 3.894 0 40 DHAB O=C(Nc1scnc1-c1ccccc1)c1[nH]nc2c1CCCC2 102759136 BEBYOIYLTLJSRL-UHFFFAOYSA-N 324.409 3.664 0 40 DHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 110592301 BBINDPFCVASWTG-MBNYWOFBSA-N 314.212 3.519 0 40 DHAB C[C@H]1C[C@H](c2cccnc2)N(Cc2nc3ccccc3n2C)C1 190961498 BUVJDJZXNPLQCC-KBXCAEBGSA-N 306.413 3.551 0 40 DHAB CCc1ccc(CC(=O)NCCCc2cccc(OC)c2)cc1 223414278 OVENLPOXHABFOJ-UHFFFAOYSA-N 311.425 3.549 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCCCC1 224909966 MSWLYTXCFPIFLC-HNNXBMFYSA-N 301.430 3.735 0 40 DHAB COc1cccc(C[C@H](Sc2ccc(C)cc2)C(=O)O)c1 225100530 VNMIJKFTYDSKNW-INIZCTEOSA-N 302.395 3.792 0 40 DHAB CCc1nc2ccc(NC(=S)NCc3ccco3)cc2s1 225207279 YXFGCFFVBRZTNQ-UHFFFAOYSA-N 317.439 3.938 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2nnc(SC(C)C)s2)cc1 225343850 HCFXMGLMVQTZKW-CMDGGOBGSA-N 319.455 3.999 0 40 DHAB Cc1ccccc1C(=O)Nc1nnc(SCC(C)C)s1 225846054 OGMAXYKYKHAFOS-UHFFFAOYSA-N 307.444 3.847 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1C[C@@H](C)C[C@H](C)C1 248188922 JMGJDVRKPVEILW-XLAORIBOSA-N 319.489 3.918 0 40 DHAB C[C@H](NCc1ccc2ncccc2c1)c1cn2ccccc2n1 514681803 AHLUIQJWMPDFDJ-AWEZNQCLSA-N 302.381 3.733 0 40 DHAB O=C(c1ccc2ncsc2c1)N1CC[C@H](c2ccsc2)C1 675008452 ZZLYWHBBSWHXQS-LBPRGKRZSA-N 314.435 3.988 0 40 DHAB c1ccc2oc(NC[C@H](c3ccsc3)n3cccn3)nc2c1 1775970808 RLKATLGBQPGMOL-CQSZACIVSA-N 310.382 3.787 0 40 DHAB Cc1ccc(C)c2sc(N3CC(Cn4ccnc4C)C3)nc12 1889151302 NFOQWFJPVXLKPJ-UHFFFAOYSA-N 312.442 3.554 0 40 DHAB CC(C)[C@@H](c1nnnn1C1CCCC1)N1CCc2ccccc21 417492 VEOTWIPGNJIFSF-KRWDZBQOSA-N 311.433 3.548 0 40 DHAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)NC(C)C 523458 QSWGGMFGZPEQHC-UHFFFAOYSA-N 323.780 3.528 0 40 DHAB O=C1N(c2ccccc2)[C@H](c2ccccc2Cl)N2CCCN12 552787 DORYVZVGJKNMQU-MRXNPFEDSA-N 313.788 3.902 0 40 DHAB COC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3n2C)C1(C)C 1426740 AXVQFNXCGIJSCL-KZULUSFZSA-N 300.402 3.656 0 40 DHAB CCCOP(=O)(OCCC)[C@@H](O)C(Cl)(Cl)Cl 1597517 PLRCDCWUOQDVNO-SSDOTTSWSA-N 313.545 3.721 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1F 2644947 CDKWXHBAEBWCMH-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB O=C(Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl 3163408 LDSBLMRIKHVSHA-UHFFFAOYSA-N 309.152 3.571 0 40 DHAB CC(=O)c1ccc(C(=O)OCc2nc3ccccc3s2)cc1 3205226 PEZBBZSZODRRIN-UHFFFAOYSA-N 311.362 3.856 0 40 DHAB Cn1cnnc1SCC(=O)c1ccc(C2CCCCC2)cc1 3225147 MQQMAFUFHGGVOS-UHFFFAOYSA-N 315.442 3.838 0 40 DHAB COc1ccccc1C[C@H](CC(=O)O)[C@H]1CCOC(C)(C)C1 4904138 QJIWYGNJXDMZRQ-LSDHHAIUSA-N 306.402 3.534 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)c1 8944391 AGUASBCDDPTOBT-NEPJUHHUSA-N 324.380 3.782 0 40 DHAB O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12221913 SKWZQUCVINMEAW-OAHLLOKOSA-N 311.410 3.531 0 40 DHAB Cc1nc(SCC(=O)N[C@H](C)C(C)C)n(C2CCCC2)c1C 12544283 GHECXCKOXBHDCM-GFCCVEGCSA-N 323.506 3.868 0 40 DHAB COc1ccc(O[C@H](C)C(=O)Nc2cnc3ccccc3c2)cc1 12606381 QEUYMNLUUMDWCU-CYBMUJFWSA-N 322.364 3.649 0 40 DHAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)cc1 12825603 ABQTUWVWNWHEEC-QGZVFWFLSA-N 319.401 3.660 0 40 DHAB CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1 12886882 VHKNENGHUWSECL-OAHLLOKOSA-N 300.427 3.696 0 40 DHAB CC[C@@H](C)Nc1ncnc2c1cnn2-c1cccc(Cl)c1 17268790 OHCRWPOCZOYTED-SNVBAGLBSA-N 301.781 3.679 0 40 DHAB C[C@@](NCCc1cccs1)(C(=O)O)c1ccccc1Cl 22116231 FQGRUDPKXRQARQ-HNNXBMFYSA-N 309.818 3.534 0 40 DHAB Cc1ccn2cc(C(=O)N(Cc3ccccc3)C(C)C)nc2c1 26491850 DELCJEAVBJKAPU-UHFFFAOYSA-N 307.397 3.694 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCCCCC1 27975936 SPQWZKJSSKYIGA-SFHVURJKSA-N 301.430 3.735 0 40 DHAB Cc1cc(NC(=O)c2ccc(C)s2)n(-c2ccc(F)cc2)n1 28304864 JKAIBWFWGQPCFY-UHFFFAOYSA-N 315.373 3.942 0 40 DHAB C[C@@]1(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1(Cl)Cl 29352276 AUWXHSIOVBDHPY-NSHDSACASA-N 316.213 3.661 0 40 DHAB CCCCCCOc1c(Br)cc(CO)cc1OC 35160097 UIAPMCUZFGNGMF-UHFFFAOYSA-N 317.223 3.909 0 40 DHAB CCCn1ncc2c(C(=O)Nc3ccccc3)cc(C3CC3)nc21 36615795 ATPYFNHQNBYXNK-UHFFFAOYSA-N 320.396 3.971 0 40 DHAB O=C(/C=C/c1cccs1)NCCOc1cccc2cccnc12 38681015 UZDXXAKXCDMHGL-CMDGGOBGSA-N 324.405 3.505 0 40 DHAB CCOc1ccccc1NC(=O)NCCc1ccccc1F 40098762 DKJXFNSRCWAITM-UHFFFAOYSA-N 302.349 3.589 0 40 DHAB CCN(CC)c1cccc(Oc2ccc(N)cc2C(=O)OC)c1 40449052 GASTXGZNSJRAJM-UHFFFAOYSA-N 314.385 3.694 0 40 DHAB CCOC(=O)c1cc2ccccc2c(Br)c1OC 40545545 QMBIKXKESDXTOG-UHFFFAOYSA-N 309.159 3.788 0 40 DHAB CCCSc1nnc(NC(=O)/C=C/c2ccc(F)cc2)s1 40971079 NFFIOCCRYOUYSG-VMPITWQZSA-N 323.418 3.831 0 40 DHAB COc1ccc(CC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 49764302 PLGDNSFLNFZUGD-LJQANCHMSA-N 324.424 3.777 0 40 DHAB O=[S@@](CCCOc1ccc(F)cc1)Cc1cccc(F)c1 58195983 QYLLYGJOMPNKRQ-OAQYLSRUSA-N 310.365 3.683 0 40 DHAB CCc1cc2c(N3CCC(n4cccc4)CC3)ncnc2s1 58555022 HNVDVIVZQPKAOG-UHFFFAOYSA-N 312.442 3.897 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(C2CC2)on1 65417170 VSANISRFAGIZFG-CYBMUJFWSA-N 302.399 3.763 0 40 DHAB c1ccc2[nH]c(C3CCN(Cc4noc(C5CC5)n4)CC3)cc2c1 71841184 CKXUHDOIKYIELU-UHFFFAOYSA-N 322.412 3.808 0 40 DHAB CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)n1ccnc1 71911124 PUJWAOIITCUUDB-NSHDSACASA-N 307.781 3.523 0 40 DHAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1NC1CC1 72213725 MBJICXWYZGCLNK-QGZVFWFLSA-N 307.397 3.633 0 40 DHAB CCC(CC)c1cc(C(=O)NCc2cccc(OC)c2)on1 72295239 ZUKJWXGSEVJCGC-UHFFFAOYSA-N 302.374 3.517 0 40 DHAB C[C@H](NC(=O)C(C)(C)c1cccc(Cl)c1)c1cccnc1 76559405 SARKMNJIYYNKKQ-LBPRGKRZSA-N 302.805 3.890 0 40 DHAB O=C(c1ccccn1)N1CCCCC[C@@H]1Cc1cccs1 84609821 GMQHORQLDHUFBZ-CQSZACIVSA-N 300.427 3.771 0 40 DHAB CCOCc1ccccc1NC(=O)NC[C@@]1(C)CCCS1 84802798 TUQSZHLRMHIDOB-MRXNPFEDSA-N 308.447 3.630 0 40 DHAB COc1ccc([C@H](C)NCc2ccco2)cc1CN1CCCC1 89904658 RMAGTMVYKSHROA-HNNXBMFYSA-N 314.429 3.735 0 40 DHAB C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccncc1Cl 95405211 BQLVTVQLLWJRJA-BMIGLBTASA-N 306.818 3.504 0 40 DHAB Cc1noc(C)c1[C@@H](C)CC(=O)N1CCc2cccc(F)c21 95436257 VPEMQGCVTINKMI-JTQLQIEISA-N 302.349 3.513 0 40 DHAB Fc1ccc(Cc2noc(-c3nc(-c4ccccc4)no3)n2)cc1 98212342 DNIBUWZDPZVLEG-UHFFFAOYSA-N 322.299 3.517 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 100625699 FARHPXZIPDYPBO-IXYNUQLISA-N 321.848 3.968 0 40 DHAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c(C)c1C 117227376 VJWZEJNQEKNZQZ-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CCOc1ccccc1C[C@@H](Sc1ccccc1)C(=O)O 225105415 ASLBVYJZXNUDLE-MRXNPFEDSA-N 302.395 3.873 0 40 DHAB CCC[C@H](C)NC(=S)Nc1cc(C(=O)OCC)ccc1C 225383071 CPKQVHQRUGRHTR-LBPRGKRZSA-N 308.447 3.647 0 40 DHAB CCNC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1 225421636 GVQLSXRATZDRCW-UHFFFAOYSA-N 305.381 3.915 0 40 DHAB CCCNC(=S)Nc1nc(Cl)cc(Oc2ccccc2)n1 225887413 WXCOAAVBPXRXOE-UHFFFAOYSA-N 322.821 3.619 0 40 DHAB CCCO[C@](C)(CCC)C(=O)Nc1cnc(OCC)c(C)c1 225905941 NFOKJOXOVOOLOD-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB COc1cc(C=O)cc(CSC)c1OC(=O)c1ccccc1 226288705 FLQQLYCXVCLQNH-UHFFFAOYSA-N 316.378 3.590 0 40 DHAB Fc1ccccc1C[n+]1cccc(-c2nc3ccccc3o2)c1 226307963 GOGXJRWHLFSKET-UHFFFAOYSA-N 305.332 3.970 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1-n1cccn1 248112563 OLZGUOVBTPRGNZ-NBOOPKSLSA-N 323.440 3.735 0 40 DHAB O=C(C1CCC(F)(F)CC1)N1CCC[C@H]1CCc1ccncc1 257241538 HYJYMWXGLSRCTI-INIZCTEOSA-N 322.399 3.831 0 40 DHAB Cc1ccc(Cl)c(NC(=O)N[C@]23C[C@H]2COC3(C)C)c1C 529078154 BVBYKINIPSEYAL-MEDUHNTESA-N 308.809 3.646 0 40 DHAB COCc1cc(Cl)ccc1NC(=O)NCc1cccnc1C 529125032 UWXLLCMBYGSGAH-UHFFFAOYSA-N 319.792 3.512 0 40 DHAB COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@H](C)C2 37954 PQYPVJFRRALJMY-VIFPVBQESA-N 309.431 3.644 0 40 DHAB Cc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 235260 WGLUMAFFXHJXRI-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1cccnc1 363255 OXWFAEKCWYMKRG-UHFFFAOYSA-N 319.316 3.520 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 1358639 AVKVCWUQTHJJDW-UHFFFAOYSA-N 323.371 3.722 0 40 DHAB CCCc1nnc(NC(=O)CCCOc2ccccc2C)s1 1903407 FIMJGYZUSCWJKN-UHFFFAOYSA-N 319.430 3.597 0 40 DHAB O=C(CSC1CCCC1)Nc1ccc2c(c1)OC(F)(F)O2 3440717 JVMLCUZCQVVJRS-UHFFFAOYSA-N 315.341 3.622 0 40 DHAB Cc1ccc(C)c(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 3606569 WLEXAYIIDYTGAO-GOSISDBHSA-N 309.409 3.876 0 40 DHAB Cc1cc(C)n2c(SCc3c(F)cccc3Cl)nnc2n1 5213424 OAXYNNPDDNIHBM-UHFFFAOYSA-N 322.796 3.826 0 40 DHAB COc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 5841983 XUZQNLDUMVGGMT-UHFFFAOYSA-N 312.369 3.542 0 40 DHAB CC(=O)c1ccc(OCCN2CCCC[C@@H]2c2cccnc2)cc1 6624529 WUYDJMVKDTUGNZ-HXUWFJFHSA-N 324.424 3.890 0 40 DHAB biogenic Cc1cc(=O)oc2cc(NC(=O)CCOc3ccccc3)ccc12 7814200 MUEUXLPWEPWZIL-UHFFFAOYSA-N 323.348 3.509 0 40 DHAB C[C@@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccccc1 7972898 LFCRLAPAKXUKJH-GFCCVEGCSA-N 322.330 3.995 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1C 8571534 AMRGDCOSOOXTEM-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CC[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1 9314606 RQUBULZZZBEPMQ-GOSISDBHSA-N 310.397 3.835 0 40 DHAB Cc1ccc(COC(=O)c2c(Cl)nc3sccn23)cc1 10991519 LLTDJGMFDSBZOP-UHFFFAOYSA-N 306.774 3.715 0 40 DHAB COc1cc2c(cc1CN1CCc3sccc3[C@@H]1C)OCO2 12241067 RRHJUWYMVSPWTP-NSHDSACASA-N 317.410 3.605 0 40 DHAB O=C(Nc1ccncc1)c1cc2cc(Br)ccc2[nH]1 12527853 QVWPQMWJRDWNIV-UHFFFAOYSA-N 316.158 3.578 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 12974615 REBHLRFUBIMJTH-LLVKDONJSA-N 313.426 3.743 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2ccccc2[nH]1 14942412 NRNILTVYBGWZNS-UHFFFAOYSA-N 308.337 3.582 0 40 DHAB CCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 17286235 AZQKVMRFFMSHCR-UHFFFAOYSA-N 301.781 3.599 0 40 DHAB Cc1cc(Br)ccc1NC(=O)c1ccc(N)cc1 19273600 HKZBKJBGLSONNH-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Cc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(OC(C)C)c2)n1 19573138 LDTDVYFATBEZBN-HNNXBMFYSA-N 315.417 3.877 0 40 DHAB O=C(CCc1cccnc1)Nc1nnc(C2CCCCC2)s1 29089014 DOJKYBYZXRPDOT-UHFFFAOYSA-N 316.430 3.552 0 40 DHAB Cc1cccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1C 29482376 IKNWYLFINGALQV-IBGZPJMESA-N 308.425 3.861 0 40 DHAB CNc1snc(C)c1C(=O)N(C)Cc1ccc(C(C)C)cc1 30843519 HNWFFRNZSLIKSV-UHFFFAOYSA-N 317.458 3.889 0 40 DHAB CCOC(=O)c1c(NC(=O)N(C)[C@@H](C)C2CC2)sc(C)c1C 31087797 LEENUCUEKVHFGW-JTQLQIEISA-N 324.446 3.804 0 40 DHAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccco1 32072384 OTAJUCXOZOTCPB-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB Cc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)o1 36646811 GAQLKMOEYBPLSH-UHFFFAOYSA-N 318.398 3.760 0 40 DHAB CCOc1cccc(CO)c1OCc1ccc(F)cc1Cl 36672595 MQQOOVIADBPJOV-UHFFFAOYSA-N 310.752 3.949 0 40 DHAB Cc1c(Cl)cccc1NC(=O)c1cc(N)ccc1N(C)C 40296643 TWDMKVQIFXTHPT-UHFFFAOYSA-N 303.793 3.549 0 40 DHAB Cc1ccc(-c2nc3nc(-c4ccccc4)nc(O)c3o2)cc1 41154979 AXLKEOIMNZLUFI-UHFFFAOYSA-N 303.321 3.966 0 40 DHAB O=C(Nc1cccc2cnccc12)N1CCC[C@@H]1c1ccncc1 43161873 NERJTQKDZZOIFH-GOSISDBHSA-N 318.380 3.999 0 40 DHAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CC(C)(C)C)n2)C1 45754538 PCLZXTMCPKYUND-CHWSQXEVSA-N 323.506 3.996 0 40 DHAB C[C@@H](NC(=O)NCCCN(C)c1ccccc1)c1ccccc1 48324748 WBURABSLCDDJIT-MRXNPFEDSA-N 311.429 3.573 0 40 DHAB COc1cccc(C[S@@](=O)Cc2nc3ccccc3s2)c1 48354430 WUEKDCQJTZLRAM-NRFANRHFSA-N 317.435 3.754 0 40 DHAB COc1ccc(-n2ccc(CNc3nc4ccccc4o3)n2)cc1 57140885 YDYWNVDATWDELL-UHFFFAOYSA-N 320.352 3.634 0 40 DHAB Cc1c(O)ccc2c(CN[C@H](C)c3ccccc3)cc(=O)oc12 58051738 YOTAFTJHHXGLJD-CYBMUJFWSA-N 309.365 3.658 0 40 DHAB Cc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 58181128 HNJKDCVIIWSEQA-SFHVURJKSA-N 311.425 3.773 0 40 DHAB CC(C)OC(=O)c1cc(N)c(N2CCCC[C@@H]2C)c(Cl)c1 70462606 NBHUJVVZLBYFGA-NSHDSACASA-N 310.825 3.866 0 40 DHAB Cc1nnc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)o1 72292766 WIGAZENEHHCMCF-UHFFFAOYSA-N 319.364 3.715 0 40 DHAB Cc1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1C 72408077 UVZLFAQUNQSWBS-UHFFFAOYSA-N 321.384 3.605 0 40 DHAB CC(C)(C)OC(=O)N1CC(Nc2cccc(C(F)(F)F)c2)C1 90635726 UDDYWGGZNODNAJ-UHFFFAOYSA-N 316.323 3.737 0 40 DHAB c1ccc(CCOC2CCN(c3nc4ccccc4[nH]3)CC2)cc1 95447144 HPEURDZMPCFNFO-UHFFFAOYSA-N 321.424 3.791 0 40 DHAB COc1ccc(CCNCC(C)(C)c2ccccc2)cc1OC 95460046 MBWVUGHHZUSVSQ-UHFFFAOYSA-N 313.441 3.814 0 40 DHAB COCc1ccsc1C(=O)N[C@H](c1ccccc1)C1CC1 95465977 YCQAZGLQJODGHW-OAHLLOKOSA-N 301.411 3.776 0 40 DHAB C[C@@H](CNC(=O)CCC(F)(F)F)c1nc2ccccc2s1 96481554 PQQWXAGBJVNPFR-VIFPVBQESA-N 316.348 3.859 0 40 DHAB Cc1c(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cnn1C 102595299 BSIVAJKUOXQESW-KHCOKFHASA-N 301.434 3.664 0 40 DHAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccc(Cl)s1 225597413 ATRGYDLURHUJNF-JTQLQIEISA-N 321.829 3.697 0 40 DHAB O=C(CSC1CCCC1)NCc1cccnc1-c1ccco1 225661560 XTQZFOKFIPZAGI-UHFFFAOYSA-N 316.426 3.634 0 40 DHAB Cc1ccccc1C(=O)Nc1c(C)cc(N)cc1Br 226763035 ZSYXJNZYNJGHQV-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Cc1nccc([C@H]2CCCN2Cc2ccccc2N2CCCC2)n1 257258714 KVEZHKZGIDCTKL-HXUWFJFHSA-N 322.456 3.722 0 40 DHAB Cc1coc2ccc(NC(=O)NC3CCC(C(=O)O)CC3)cc12 263092903 SUHMIUFSFZPJMA-UHFFFAOYSA-N 316.357 3.506 0 40 DHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O 409013467 ACXLKRZLPBLTRF-UQDQQJHMSA-N 319.382 3.559 0 40 DHAB O=C(c1ccc(Br)cc1F)C(F)(F)C(F)(F)F 575243237 XMRPJLZBPWPYQE-UHFFFAOYSA-N 321.014 3.969 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(F)c(C(F)(F)F)c1 575361097 QPKMWYHLWHGOJI-UHFFFAOYSA-N 306.255 3.761 0 40 DHAB CS(C)(=O)=Nc1ccc(NC(=O)c2ccoc2C2CC2)cc1 585086036 RTCKGFFNUKPQQS-UHFFFAOYSA-N 318.398 3.768 0 40 DHAB CSC[C@H](C)c1nc(Cc2nsc3ccccc23)no1 585120267 CQOJPGAYIRKYDO-VIFPVBQESA-N 305.428 3.737 0 40 DHAB Cc1ccccc1C(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1 117216 VBXADSYAHBDMSY-HNNXBMFYSA-N 317.772 3.594 0 40 DHAB Cc1ccccc1CSC1=NCCN1C(=O)c1cccs1 244548 HMEUTNHGFDKKCW-UHFFFAOYSA-N 316.451 3.802 0 40 DHAB Cc1ccccc1CN(c1c(C)cccc1C)S(C)(=O)=O 571741 ONYDPMQHUKRLIJ-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 3311158 SCDIZPGKTQVPAY-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB COc1cc(C(=O)NCc2ccc(Cl)cc2)cc(OC)c1C 3479984 YMJGFKVFCCCGSL-UHFFFAOYSA-N 319.788 3.596 0 40 DHAB CC(=O)Nc1nc(-c2ccc(C)cc2)c(Br)s1 4512009 VKWLPHLEWVBSBM-UHFFFAOYSA-N 311.204 3.839 0 40 DHAB Clc1ccccc1[C@@H]1Nn2c(nnc2-c2ccccc2)S1 4614555 MCYPLIPKBLVWHJ-CQSZACIVSA-N 314.801 3.947 0 40 DHAB CCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 4676212 URDDZDCIBYBQCB-UHFFFAOYSA-N 303.387 3.524 0 40 DHAB CCCCN(C)C(=O)C1CCN(C[C@H](C)c2ccccc2)CC1 4690960 IWIMDZATQLJJPZ-KRWDZBQOSA-N 316.489 3.761 0 40 DHAB Cc1cc2c(SCC(=O)c3ccccc3)ncnc2s1 5017182 ULJWERMEPBXAEO-UHFFFAOYSA-N 300.408 3.975 0 40 DHAB CC(=O)Oc1ccccc1C(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 5707321 AKEZUIBGEWITHJ-AZOIQLNYSA-N 316.397 3.984 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccc(CN2CCCC2)cc1 5998781 JXMJETIEHOEGQH-JLHYYAGUSA-N 306.409 3.934 0 40 DHAB CCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2=O)cc1 6152430 CVKXXPCRYBMLHO-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB O=C(CN1CCSc2ccccc21)Nc1ccc2c(c1)CCC2 7493222 QJXHOIPKSUGMBT-UHFFFAOYSA-N 324.449 3.726 0 40 DHAB CCC(CC)C(=O)Nc1ccccc1NC(=O)c1ccco1 8186121 HKEDXWCEKKAVDV-UHFFFAOYSA-N 300.358 3.907 0 40 DHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)CCC2 8378247 DTIKFSYQUNYWHD-UHFFFAOYSA-N 311.356 3.916 0 40 DHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1Cc2ccccc2O1 9364948 KUTUDZZVALDLKE-INIZCTEOSA-N 322.389 3.752 0 40 DHAB COc1ccc(/C=C/C(=O)O)cc1OCCCc1ccccc1 11802757 QISWDOPLWCOTQM-ZRDIBKRKSA-N 312.365 3.805 0 40 DHAB C[C@H]1CCC[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)[C@@H]1C 12901042 NIVFFJPVZVBVHH-IYOUNJFTSA-N 319.470 3.718 0 40 DHAB CCc1ccccc1NCC(=O)NCc1ccc(Cl)cc1 15126296 SWWYGLSJPDITLO-UHFFFAOYSA-N 302.805 3.631 0 40 DHAB CCCNc1nc(Nc2ccc(C)cc2C)c2cnn(C)c2n1 17286247 AKEBMKFSNTZSCS-UHFFFAOYSA-N 310.405 3.546 0 40 DHAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(N)ccc1F 19736546 HIJWBFLPRKPCFZ-LBPRGKRZSA-N 316.376 3.939 0 40 DHAB Cc1occc1C(=O)N[C@@H](C)c1ccccc1Br 20937677 WENYRAVJKDGMBF-VIFPVBQESA-N 308.175 3.842 0 40 DHAB Cc1nc(-c2cccnc2)sc1C(=O)NC1CCCCCC1 22237472 XXOKNZCLGVWWPT-UHFFFAOYSA-N 315.442 3.966 0 40 DHAB CN(CC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 29482576 GVZIHFTYHDZGED-QGZVFWFLSA-N 316.351 3.523 0 40 DHAB CSc1ccc(NC(=O)[C@@H](C)n2cnc3ccccc32)cc1 31819937 FCSQMXILMWGYKK-GFCCVEGCSA-N 311.410 3.958 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)N(C)CCOc1ccc(Cl)cc1 32863293 ITWSQPXRHVCQDU-BBRMVZONSA-N 324.852 3.939 0 40 DHAB Cc1ccc([C@H](NC(=O)Cc2noc3ccccc23)C2CC2)cc1 32865763 SZNHPBJXIFWOJJ-FQEVSTJZSA-N 320.392 3.946 0 40 DHAB C[C@H]1Oc2cc(Br)c(Br)cc2O[C@@H]1C 33949121 PFHMDNFRAWYOKB-PHDIDXHHSA-N 321.996 3.760 0 40 DHAB O=C(O)Cc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12 33968828 HQRJGLVSBRTHME-UHFFFAOYSA-N 313.740 3.679 0 40 DHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CNC1CCCCC1)C2 35075058 BLSUEDKUVBIVGS-QEEHTWDDSA-N 323.521 3.891 0 40 DHAB CC(C)C[C@H](C)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 40497972 PDHWBCHSNLNQMO-LBPRGKRZSA-N 321.446 3.624 0 40 DHAB C[C@H](Sc1ncn[nH]1)c1cccc(NC(=O)c2ccccc2)c1 48356162 OJRMUYPHKJXUJL-LBPRGKRZSA-N 324.409 3.910 0 40 DHAB CC(C)COC1CCN(C(=O)CCCc2cccs2)CC1 55909571 IOVSAYFODSHBJX-UHFFFAOYSA-N 309.475 3.734 0 40 DHAB Cc1noc2ncc(C(=O)N3CCC[C@H]3CC(C)(C)C)cc12 58415135 GXHFWRBTRPCNKL-ZDUSSCGKSA-N 301.390 3.572 0 40 DHAB O=C(Nc1ccccc1O)c1c[nH]nc1-c1ccc(Cl)cc1 58513639 TXIPJNIHLKPJNZ-UHFFFAOYSA-N 313.744 3.688 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2cccc(F)c2)s1 71883178 YNMFMYPZWNREGB-LLVKDONJSA-N 306.406 3.661 0 40 DHAB C[C@@H](NCc1cc(C(N)=O)cs1)c1cccc2ccccc12 79000546 DZALNNOSSXEZSZ-GFCCVEGCSA-N 310.422 3.851 0 40 DHAB CC1CCC(N(C(=O)Cc2ccc3c(c2)CCO3)C2CC2)CC1 84689298 UAZHZSTVAWTBMA-UHFFFAOYSA-N 313.441 3.734 0 40 DHAB O=C(c1ccccc1Cl)N1CCC(N[C@H]2CC=CCC2)CC1 90036324 ZOAUPVQGLAECKL-AWEZNQCLSA-N 318.848 3.643 0 40 DHAB CC[C@H](c1ccncc1)N(CC)C(=O)NC[C@@]1(C)CCCS1 95412609 PVYUDQLMENPNPW-NVXWUHKLSA-N 321.490 3.850 0 40 DHAB COC(=O)CC1(NC[C@H]2C[C@H]2c2ccccc2)CCCCC1 95453404 ZNWCPXSYALLPKP-SJORKVTESA-N 301.430 3.646 0 40 DHAB CC[C@H](NC(=O)Nc1cc(C(C)(C)C)on1)c1nccs1 96415902 VMSYQNAVZOZBDP-VIFPVBQESA-N 308.407 3.701 0 40 DHAB COc1ccc(CN(C(=O)C[C@@H]2C=CCC2)c2ccncc2)cc1 96418464 FWIGQTPYPLIVEB-MRXNPFEDSA-N 322.408 3.980 0 40 DHAB C[C@H](NC1(CNC2CCCCC2)CCOCC1)c1ccccc1 97009623 ZYVIEFXRZPDWSR-KRWDZBQOSA-N 316.489 3.809 0 40 DHAB CC[C@@H](c1ccccc1)[S@@](=O)Cc1nnc(C(C)(C)C)o1 97083486 MEARQZRGIPEEDO-YEJXKQKISA-N 306.431 3.767 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccnc1 224730809 XVXMCAUKWGIZAK-SFHVURJKSA-N 310.397 3.757 0 40 DHAB Cc1ccc2oc(CCC(=O)NC[C@H](C)c3ccccc3)nc2c1 224947052 CIVQJZUPINASHB-HNNXBMFYSA-N 322.408 3.989 0 40 DHAB Cc1csc(C(=O)NCC[C@H](O)c2cccc(Cl)c2)c1 225607671 IXACLFFHZZZFMC-ZDUSSCGKSA-N 309.818 3.563 0 40 DHAB Cc1ccc(CCC(=O)NCCCOC2CCCC2)cc1C 225837190 CYEMQGXHNNXELY-UHFFFAOYSA-N 303.446 3.702 0 40 DHAB CCOC(=O)/C(=C\c1ccc(Cl)cc1Cl)n1ccnc1 239562974 NWPVQNHSQVAJHR-UHFFFAOYSA-N 311.168 3.751 0 40 DHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)(C)C)OCC[C@@]31C2 257272794 NDXKIPLCCATBOU-HHMSRWFOSA-N 307.478 3.769 0 40 DHAB C[C@]1(c2ccccc2)CC[C@@H](NCc2ccc(C(=O)O)cc2)C1 263387090 DGWVTPPEWSGJRB-QUCCMNQESA-N 309.409 3.985 0 40 DHAB c1cncc(-c2ccc3c([C@H]4CCCN4CC4CC4)ncn3c2)c1 306144875 ZREWWLONGKQZMM-GOSISDBHSA-N 318.424 3.943 0 40 DHAB O=C(c1ccc(Cl)cc1Cl)N1CC[C@H](OCC2CC2)C1 390829933 HPCROISLBXZQDB-LBPRGKRZSA-N 314.212 3.635 0 40 DHAB CO[C@H](C)c1nc(Cc2nc(-c3cccc(C)c3)no2)cs1 390833210 DPOGOYLRLISGCF-LLVKDONJSA-N 315.398 3.800 0 40 DHAB CC[C@@H](NCc1nc(C2CC2)nn1C)c1ccc(Cl)s1 569451851 FFURFIFOUQCKFV-SNVBAGLBSA-N 310.854 3.648 0 40 DHAB C[C@H]1C[C@H](C(=O)N2CCC(c3ncco3)CC2)CC(C)(C)C1 585123797 RDPZLBBIIFNWBE-ZFWWWQNUSA-N 304.434 3.843 0 40 DHAB Brc1cnc(N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)nc1 1776009713 YAPBWHGKUUGVRS-KBPBESRZSA-N 320.234 3.707 0 40 DHAB CC(C)Oc1ccc([C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 356632 JDBFRWBNRITDBA-QGZVFWFLSA-N 309.365 3.521 0 40 DHAB Cc1ccccc1CSC1=NCCN1C(=O)c1ccccc1 429417 QAYYEVSVPHSTBI-UHFFFAOYSA-N 310.422 3.740 0 40 DHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 514277 QNVFGZHYSPMHJO-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB Cc1c(O)ccc2c(CN(CC(C)C)CC(C)C)cc(=O)oc12 2211889 ZBMPTHQUVQSLMM-UHFFFAOYSA-N 317.429 3.921 0 40 DHAB biogenic CCCCN(C(=O)C1CCC1)c1nnc(-c2ccncc2)s1 2586502 NLUJEVOSZSYDNN-UHFFFAOYSA-N 316.430 3.533 0 40 DHAB CCOc1ccccc1NC(=O)c1cccc(OC(F)F)c1 3472750 IKCYOAFUZXVRNL-UHFFFAOYSA-N 307.296 3.939 0 40 DHAB C[C@@H](O)CCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)CC2 3844787 CACXCWDOGLCTAA-HZPDHXFCSA-N 323.436 3.982 0 40 DHAB biogenic O=C(c1ccc(-n2cccn2)cc1)N1CCSc2ccccc21 8037592 JGTJUZIRPMRAHG-UHFFFAOYSA-N 321.405 3.625 0 40 DHAB Cc1cc([C@H]2NC(=O)c3ccccc3N2)c(C)n1Cc1ccco1 8703990 DDCFVDNXBDKSBR-GOSISDBHSA-N 321.380 3.600 0 40 DHAB Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1cccnc1 9422854 WRGFBPCYXYHYLO-UHFFFAOYSA-N 323.208 3.925 0 40 DHAB CC(=O)c1cc(CCC(=O)Nc2ccc(F)c(F)c2)oc1C 9722105 ALAYOPGHIKSDST-UHFFFAOYSA-N 307.296 3.640 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)C1(c2cccs2)CCCC1 12157546 CKKCJMYRHQRIOS-UHFFFAOYSA-N 315.394 3.927 0 40 DHAB C[C@H](NC(=O)N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 12545625 VAJYYVHZRQMKCN-RYUDHWBXSA-N 303.793 3.856 0 40 DHAB CC(C)n1ncc2cc(NC(=O)/C=C/c3ccccc3)cnc21 13003056 LCEAPPTXRVUECM-CMDGGOBGSA-N 306.369 3.664 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(O)c1 14121351 FBVXHXGUTKJYQK-UHFFFAOYSA-N 323.392 3.791 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1 15357636 JARUAYKWGRRELS-AWEZNQCLSA-N 301.361 3.526 0 40 DHAB Cc1ccc(C)c(-n2ncc3c(N4CCC[C@H](C)C4)ncnc32)c1 15880893 LIWJPMXVOSLQCB-AWEZNQCLSA-N 321.428 3.669 0 40 DHAB CN1CCC2(CC1)CN(Cc1ccccc1)Cc1ccccc1O2 19588428 LGYZVQWVAZVFAJ-UHFFFAOYSA-N 322.452 3.546 0 40 DHAB COc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1Cl 20193828 YLIWZNHPWPYLPR-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB O=c1nc(-c2ccccn2)[nH]c2scc(-c3cccs3)c12 20369509 FIQXDNQMUYCVOZ-UHFFFAOYSA-N 311.391 3.775 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2cc(Cl)ccc2C)c1 20447819 HYYSZSVOLOLHGL-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C)cc3C)CC2=O)cc1 21321299 JASQUPSUFWFYGO-INIZCTEOSA-N 323.392 3.570 0 40 DHAB O=S(=O)(c1ccc2ccccc2c1)N(C1CCCC1)C1CC1 24687069 IIDJGZOTTOTSMN-UHFFFAOYSA-N 315.438 3.936 0 40 DHAB c1ccc(-c2nnc3n2N=C2c4ccccc4CC[C@H]2S3)cc1 27526221 USOMICCWZDYOMK-OAHLLOKOSA-N 318.405 3.618 0 40 DHAB Cc1c(Cl)ccc2sc(NC(=O)c3ccncc3)nc12 27698767 CXVITNZRRLCMMI-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)C1CCCC1 28305125 XIEUFLZYCVDPBW-UHFFFAOYSA-N 321.783 3.853 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)CSCc1ccccc1 28487965 WTFURMHMMGBYPS-AWEZNQCLSA-N 315.438 3.806 0 40 DHAB COc1ccccc1N[C@@H](C)C(=O)NCCC1=CCCCC1 28743833 SDIXCKLYWQPZJR-AWEZNQCLSA-N 302.418 3.502 0 40 DHAB CCOc1ccc(CNc2ncnc3ccccc23)cc1OC 29626430 YOVICBFNDPHMST-UHFFFAOYSA-N 309.369 3.649 0 40 DHAB Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)sc1C 31236208 IDVSFASJJFKCBY-OAHLLOKOSA-N 314.454 3.621 0 40 DHAB CCCCNc1ncnc2c1cnn2-c1ccccc1Cl 32620477 IEELHIWYODCGPU-UHFFFAOYSA-N 301.781 3.681 0 40 DHAB Cc1ccccc1OS(=O)(=O)c1c(C)ccc2ncccc12 32936932 KMDIUYLECJNLLL-UHFFFAOYSA-N 313.378 3.619 0 40 DHAB CC(C)(C)c1ccc(OCc2nc(-c3cccnc3)n[nH]2)cc1 34925899 LIKAPOWZDQBCEY-UHFFFAOYSA-N 308.385 3.743 0 40 DHAB COc1ccc(C(=O)Cc2ccc(Br)cc2)cc1 36473423 LJSXRFCPUUXZBC-UHFFFAOYSA-N 305.171 3.883 0 40 DHAB C[C@H](CCc1ccco1)N(C)C(=O)CCc1ccc(F)cc1 36614117 JRIXGKOVJHQAFO-CQSZACIVSA-N 303.377 3.831 0 40 DHAB COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccco3)nc2[nH]1 37593665 IFFFBUGNMCTIFU-UHFFFAOYSA-N 310.231 3.628 0 40 DHAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(F)cc1 45888990 AXQTVNWSDNFOQC-UHFFFAOYSA-N 315.373 3.887 0 40 DHAB CC(C)C(=O)Nc1cc(N2CCCC[C@@H]2C)c(N)cc1Cl 45891802 LHLUNNDIKRDYAX-NSHDSACASA-N 309.841 3.896 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)N[C@H](C)c1ccc(Cl)s1 46597818 PRSDEMAYEGURMX-MNOVXSKESA-N 316.854 3.531 0 40 DHAB CCN(C[C@@H]1CCCO1)c1ncnc2sc3c(c12)CCCC3 48354057 HCKNGTIHUCIRNK-LBPRGKRZSA-N 317.458 3.575 0 40 DHAB CC[C@H]1CCc2nc(NC(=O)c3cc(Cl)c[nH]3)sc2C1 48805077 CACOXIWERCMDLQ-QMMMGPOBSA-N 309.822 3.892 0 40 DHAB Cc1ccccc1C1(CNC(=O)C[C@@H]2C=CCC2)CCOCC1 55760814 LFGCFXBLFXCGFF-QGZVFWFLSA-N 313.441 3.516 0 40 DHAB CSCc1c(C(=O)Nc2cc(C)on2)oc2ccccc12 58244708 JDAYOYUELNKRRQ-UHFFFAOYSA-N 302.355 3.845 0 40 DHAB COc1ccc2c(CC(=O)NC3[C@H](C)CCC[C@H]3C)coc2c1 65565472 VDLDACQEEWBNCD-CHWSQXEVSA-N 315.413 3.925 0 40 DHAB CC[C@H](CNc1nc(C(F)F)nc2ccccc12)N1CCCC1 66453286 DXBIPTTVUMTPSC-GFCCVEGCSA-N 320.387 3.854 0 40 DHAB CC(C)[C@@H](C)CC(=O)Nc1ccccc1NC1CCN(C)CC1 69808791 JQTCZLQXTHIPNN-HNNXBMFYSA-N 317.477 3.813 0 40 DHAB COc1ncccc1NC(=O)N(C1CCC(C)CC1)C1CC1 75092387 FXKVSTRFGUHPPP-UHFFFAOYSA-N 303.406 3.665 0 40 DHAB Cc1cc2ncn(Cc3noc(-c4cccs4)n3)c2cc1C 76555351 UGZKQYPCMBGVOB-UHFFFAOYSA-N 310.382 3.813 0 40 DHAB Cc1noc(N)c1C(=O)OCc1sc2ccccc2c1Cl 84026726 HPDORXPYQJQVDP-UHFFFAOYSA-N 322.773 3.790 0 40 DHAB CC(C)c1nc(CNc2ccccc2N2CCCCC2)no1 86188858 RPKJTZSPUINPBC-UHFFFAOYSA-N 300.406 3.795 0 40 DHAB CCSCc1cccc(NC(=O)NCCc2ccncc2)c1 89275289 KAHXWXHGKWFQBL-UHFFFAOYSA-N 315.442 3.699 0 40 DHAB CCc1nn(C)cc1NCc1csc(-c2ccc(F)cc2)n1 91070286 NQLHMRDWPAGLKG-UHFFFAOYSA-N 316.405 3.857 0 40 DHAB CC(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)n(C)c1 95369232 CBYLMLUYCJMXFZ-UHFFFAOYSA-N 319.364 3.542 0 40 DHAB C[C@H](NCc1cccnc1)c1cc(Br)ccc1F 95419065 WJAWHSINRAYZEX-JTQLQIEISA-N 309.182 3.834 0 40 DHAB COCCC1(CNC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 95427191 VDOHVWUNSWHPGO-OAHLLOKOSA-N 320.433 3.723 0 40 DHAB Cc1ccc(-c2nc(Cn3cc(C=O)c4ccccc43)no2)cc1 96287940 CKNUETFAMCOQOR-UHFFFAOYSA-N 317.348 3.861 0 40 DHAB O=C(c1cscn1)N1CCSC[C@@H]1c1ccc(Cl)cc1 96407411 KHIDHYWCJQKPBN-CYBMUJFWSA-N 324.858 3.727 0 40 DHAB C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 96407534 RKJBWLJWYPZXLQ-ZOBORPQBSA-N 323.383 3.532 0 40 DHAB C[C@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1ccncc1 97084022 AHEPBDNDAXTVCB-NSHDSACASA-N 314.776 3.636 0 40 DHAB COc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1Cl 216959198 KWCUNRHLEPNMIA-UHFFFAOYSA-N 313.740 3.804 0 40 DHAB COC(=O)c1cn(C(=S)Nc2ccccc2)c2ccccc12 222569087 AIGAAEPRJAUSDT-UHFFFAOYSA-N 310.378 3.673 0 40 DHAB COc1ccccc1C(=O)N1CCS/C1=C/c1cccs1 225233811 BCZWCHGPLDVXQQ-RVDMUPIBSA-N 317.435 3.944 0 40 DHAB Cc1ccccc1NC(=O)NC[C@H](c1ccsc1)N1CCC1 225595856 JOPNGLNRTSUZIQ-MRXNPFEDSA-N 315.442 3.625 0 40 DHAB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(C)c(C)c1 225708923 KRVLEHBKQNKCOI-ZDUSSCGKSA-N 315.442 3.755 0 40 DHAB C[C@@H](O)c1cccc(NC(=O)c2ccccc2Br)c1 226274197 FCTAPBLJWJOSTQ-SNVBAGLBSA-N 320.186 3.755 0 40 DHAB CC(C)Cc1nnc([C@H](C)[S@](=O)[C@H](C)c2ccccc2F)o1 253369519 DNSPLNPIRYYBQN-HIMNYSJASA-N 324.421 3.978 0 40 DHAB COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1N 82517 RTZDUKYCHAEFFM-UHFFFAOYSA-N 317.288 3.928 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)CC1=O 501602 DZGGDIZVBUXUFO-DTWKUNHWSA-N 315.200 3.825 0 40 DHAB CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCC2 1465439 YUXWZKPEWMLFSA-UHFFFAOYSA-N 319.382 3.567 0 40 DHAB CCCCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 2726276 DOOXCMGBRRVUFV-UHFFFAOYSA-N 317.414 3.847 0 40 DHAB Cc1ccc(CC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 2734964 ZZAUZEGVAOGONM-UHFFFAOYSA-N 323.421 3.619 0 40 DHAB CCc1c(C)sc2ncn3nc(-c4ccccc4O)nc3c12 2790366 NYUGMJXXHJJHAC-UHFFFAOYSA-N 310.382 3.582 0 40 DHAB Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccccc1F 3327920 NZMSPTLXXXMNCW-CQSZACIVSA-N 300.377 3.593 0 40 DHAB C[S@@](=O)c1ccccc1COC(=O)Nc1ccc(Cl)cc1 3841502 NKFDUVNXXBDRBW-NRFANRHFSA-N 323.801 3.826 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cc(C)ccc3C)C(=O)[C@@H]21 4187980 HWKMTFPOJYQIGK-DACLVMHWSA-N 307.393 3.561 0 40 DHAB Cc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 4682364 IOQNLBHTKNVNBZ-UHFFFAOYSA-N 318.829 3.704 0 40 DHAB Cc1ccccc1N1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 5214267 XDQUCRIAANYZIG-GDNBJRDFSA-N 311.362 3.942 0 40 DHAB COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCC[C@@H]1C 7984376 UZGYTWUPCGXNQM-SOUVJXGZSA-N 304.434 3.581 0 40 DHAB Cc1cc(SCC(=O)N[C@@H](C)C2CC2)nc2ccccc12 8746958 SGXDCUYRZWJORR-LBPRGKRZSA-N 300.427 3.550 0 40 DHAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]1c1ccccc1 9895090 JFLIXUQUNXEATK-KRWDZBQOSA-N 319.360 3.770 0 40 DHAB Cc1c(C)n(Cc2cccnc2)c2nc3c(c(N)c12)CCCC3 12324869 XTIJEZZYEDNESD-UHFFFAOYSA-N 306.413 3.557 0 40 DHAB COc1ccc(Cl)c2sc(NC(=O)c3cc(C)no3)nc12 12422466 ZTDSKECFEXUWRF-UHFFFAOYSA-N 323.761 3.507 0 40 DHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(F)cc(F)c1 12801179 WGLSQZQAWGGBOU-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cnccn1 12950314 ZERAFQBHPZDOCH-VIFPVBQESA-N 310.184 3.617 0 40 DHAB Cc1nc2cc(NC(=O)c3ccc4c(c3)OCCCO4)ccc2o1 14095194 XQOIDPXKFLKUQU-UHFFFAOYSA-N 324.336 3.550 0 40 DHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1F 14186998 LGCBQEYKCBPCEI-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB Cc1ccc(C)c(OCC(=O)NCCSc2ccccc2)c1 19296390 RITCFJHABJUSEE-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB CC[C@@H]1c2cccn2CCN1Cc1c[nH]nc1-c1ccc(O)cc1 19500992 OKHDCOJYBDJVLM-QGZVFWFLSA-N 322.412 3.551 0 40 DHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CCCC1 19909617 VKZQYVDLVHHBNR-UHFFFAOYSA-N 308.230 3.523 0 40 DHAB CCOc1ccccc1C(=O)NCC1(c2cccs2)CC1 22679935 VOJGLSKLIKQWDX-UHFFFAOYSA-N 301.411 3.608 0 40 DHAB CCCNC(=O)c1ccc(N2C(=O)OC[C@@H]2c2ccccc2)cc1 26897313 VOBPGZCPEAAYTA-QGZVFWFLSA-N 324.380 3.524 0 40 DHAB CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(C)c2)CC1=O 29677221 DBRMUYLLSOLEKK-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB CCc1cc(C(=O)Nc2nc(C)c3c(n2)CCCC3)sc1C 32765275 RYCASHFZQOWVAY-UHFFFAOYSA-N 315.442 3.848 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1cnc(-c2ccccc2)s1 32931351 WQLBXSDMNVBPBJ-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB COc1ccccc1-c1ccc(=O)n(C/C=C/c2ccccc2)n1 40287708 DFAFNHCFEXUABB-JXMROGBWSA-N 318.376 3.632 0 40 DHAB Cc1ccc(N(C)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 40478378 MVQJGIQAXOWKKS-UHFFFAOYSA-N 309.344 3.801 0 40 DHAB O=C(Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40817587 MDHKRGSDUGHKNP-INIZCTEOSA-N 319.408 3.512 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 40946049 AQXZBYBDMNTXCH-NSHDSACASA-N 305.761 3.755 0 40 DHAB CCCCc1nc(C)c(C(=O)Nc2ccc(N(C)C)nc2)s1 48313945 CIIKUTUEFZSTCI-UHFFFAOYSA-N 318.446 3.507 0 40 DHAB COCc1ccccc1CNC(=O)Nc1ccc(C)cc1F 48344742 JPTWXZGYYNPVQO-UHFFFAOYSA-N 302.349 3.602 0 40 DHAB O=C(Nc1ccnn1C1CCCC1)c1ccc2ncsc2c1 58010134 HBUPWWOEFQJSAO-UHFFFAOYSA-N 312.398 3.860 0 40 DHAB Cc1cccc(-c2noc(-c3cn(C)c4ccccc4c3=O)n2)c1 64960876 WKUIMYWJNKDNJB-UHFFFAOYSA-N 317.348 3.564 0 40 DHAB O=C(Nc1ccncc1)c1cnc(Cc2ccc(F)cc2)s1 69432125 KMWMMLGTYPJVEL-UHFFFAOYSA-N 313.357 3.520 0 40 DHAB C[C@@H](C(=O)N(C)c1ccccc1)N1CC[C@H](c2ccccc2)C1 69699220 WLMRZHOTYMHCHD-WMZOPIPTSA-N 308.425 3.527 0 40 DHAB Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc1C 71978328 SJISHGHEFBXYTM-UHFFFAOYSA-N 319.364 3.738 0 40 DHAB C[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccncc1 72314209 JIQDKWZCXROQCK-LBPRGKRZSA-N 322.330 3.563 0 40 DHAB C[C@@H]1CN(Cc2c(C3CCCC3)[nH]c3ncccc23)C[C@@H](C)O1 72393348 LCESVPMCNCNJJM-ZIAGYGMSSA-N 313.445 3.830 0 40 DHAB C[C@H](S[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N(C)C 76330149 MFAOHZNPSVPXCP-UWVGGRQHSA-N 303.374 3.559 0 40 DHAB CC[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1F 84734140 BJIIIOCIGYJTQY-MLGOLLRUSA-N 305.372 3.780 0 40 DHAB Cc1cc(COc2ccc(N(C)C(=O)OC(C)(C)C)cc2)no1 89604946 FEQITMRXBNOAPG-UHFFFAOYSA-N 318.373 3.933 0 40 DHAB Cc1ccc(CN(C)C)cc1NCc1nc2ccccc2n1C 95429320 YPCMJLGMKWMFSY-UHFFFAOYSA-N 308.429 3.555 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](C)[C@H](C)C2)c1C(C)C 95981245 SUQOARDAWXZKJD-NWDGAFQWSA-N 304.434 3.767 0 40 DHAB O=[S@@](Cc1ccccc1Cl)Cc1cccc2c1OCCO2 96404270 IWFOGVQYMGPQIE-OAQYLSRUSA-N 322.813 3.560 0 40 DHAB CC(C)N1CC[C@H](SCc2ncc(-c3cccs3)o2)C1=O 97011148 PESZLSZKTKSWSI-ZDUSSCGKSA-N 322.455 3.646 0 40 DHAB CCC1CCC(NC(=O)C(=O)Nc2ccccc2C(C)C)CC1 97074678 VCKKPQDEFFUICM-UHFFFAOYSA-N 316.445 3.834 0 40 DHAB CCCCN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@@H](C1)N2C 100312525 MVJFUGXQQYWIDN-IRXDYDNUSA-N 300.446 3.554 0 40 DHAB O=C1CC(Cc2ccccc2)=NN1c1nc2ccccc2s1 100700847 CBYKVEQSTWBKQI-UHFFFAOYSA-N 307.378 3.632 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC(c2c[nH]c3ncccc23)CC1 107493107 IHSUOSKTCLXARX-JLJPHGGASA-N 323.440 3.705 0 40 DHAB c1ccc(C[C@@H](NCCc2c[nH]c3ccccc23)C2CC2)nc1 151326814 XDJKXTKXSZXUNY-HXUWFJFHSA-N 305.425 3.716 0 40 DHAB CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 157236939 XMPSKZSAWMRXOM-GOEBONIOSA-N 318.461 3.525 0 40 DHAB Cc1nnc(CN[C@@H](Cc2ccccc2)c2sccc2C)o1 184956328 MXUOSJORVCVXRU-HNNXBMFYSA-N 313.426 3.822 0 40 DHAB O=C(Cc1ccc(F)cc1)NCCCc1ccccc1Cl 223110859 JAKCTDJKOUASBO-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB O=C(NC1CCCCCC1)c1snnc1-c1ccc(F)cc1 225777124 LHGJPYWKVCTTLW-UHFFFAOYSA-N 319.405 3.797 0 40 DHAB COc1ccccc1CC(C)(C)NC(=O)c1cc[nH]c1C1CC1 225810376 OGGABTQSSTVILZ-UHFFFAOYSA-N 312.413 3.652 0 40 DHAB Cc1ccc([C@H]2CN(Cc3ccc4ccccc4n3)CCO2)nc1 257296969 RFFKOWFGDKNUDO-HXUWFJFHSA-N 319.408 3.512 0 40 DHAB O=C(COCc1ccccc1)c1ccc(Br)cc1F 310020785 RIFUJVGNSXUVSG-UHFFFAOYSA-N 323.161 3.988 0 40 DHAB CCOC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408721189 DTNQAUPEPQUFFO-UHFFFAOYSA-N 304.349 3.987 0 40 DHAB CO[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 408865521 CWFSKZIARJBQTP-HXUWFJFHSA-N 323.436 3.855 0 40 DHAB Cc1ccc(Cl)c(NC(=O)N[C@]23C[C@@H]2COC3(C)C)c1C 529078152 BVBYKINIPSEYAL-BDJLRTHQSA-N 308.809 3.646 0 40 DHAB CCC[C@H](NCc1nc(C2CC2)nn1C)c1ccc(F)cc1F 566170674 RBSZRBNIEVIXLH-HNNXBMFYSA-N 320.387 3.602 0 40 DHAB C[C@H](O)CNc1nc(-c2cccc(Cl)c2)nc2ccccc12 149822 FIRDDVVANWRTLV-NSHDSACASA-N 313.788 3.743 0 40 DHAB CCCCOc1ccc(C(=O)NCCOc2ccccc2)cc1 3148415 YBQFJOBJPFFGGT-UHFFFAOYSA-N 313.397 3.674 0 40 DHAB CSc1cccc(N[C@@H](C)C(=O)NCc2ccccc2)c1 3356769 IEQBTKZISVHHJP-ZDUSSCGKSA-N 300.427 3.525 0 40 DHAB O=C(COc1cccc2ccccc12)NCCc1ccc(F)cc1 3613504 FHDYHUIRTVILCX-UHFFFAOYSA-N 323.367 3.717 0 40 DHAB O=C(Cc1ccccc1)c1ccc2nc3c(cc2c1)CCCO3 3817902 HXUSRWUBSYSWII-UHFFFAOYSA-N 303.361 3.985 0 40 DHAB in-vitro C[C@H]1CCC/C(=C\c2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 5093585 YCVCNRICIFOLCB-ZYTLPXSGSA-N 317.820 3.566 0 40 DHAB CCc1ccc(-c2n[nH]c(S[C@H]3CCCCC3=O)n2)cc1 5180275 SCCXYBJKGCAPFF-AWEZNQCLSA-N 301.415 3.638 0 40 DHAB CCc1ccccc1NC(=O)Cn1c(CC)nc2ccccc21 5267695 KPCGWXZLEYYMEG-UHFFFAOYSA-N 307.397 3.800 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)Cc2c[nH]c3ccccc23)cc1 5400008 VVEKGHBNLQCSDL-CQSZACIVSA-N 321.376 3.833 0 40 DHAB CCSc1nnc2c(n1)O[C@](C)(CC)Nc1ccccc1-2 5446784 HLMITUPJKHUOHI-OAHLLOKOSA-N 302.403 3.581 0 40 DHAB COC(=O)c1ccccc1C[C@@H]1Cc2ccc3c(c2C1)CCC3 5537783 KKVDJLDHHJXSLH-CQSZACIVSA-N 306.405 3.919 0 40 DHAB CCOc1ccccc1OCC(=O)Nc1ccc(Cl)cc1 5987625 IYYOTCVOOXLUNA-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB O=C1CCCC[C@@H]1Sc1nnc2c(Cl)cc(Cl)cn12 6099509 WTBFMEBJDCJNET-JTQLQIEISA-N 316.213 3.640 0 40 DHAB CCOc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1 6802938 OTRNOXFUWNACEL-UHFFFAOYSA-N 319.368 3.728 0 40 DHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c(C)c1 7053331 YROGLDRTQIBOCA-UHFFFAOYSA-N 311.353 3.691 0 40 DHAB COc1ccc(C)cc1/C=C1\N=C(c2cccc(C)c2)OC1=O 7973619 ZKHKGAAZYXSYRB-WJDWOHSUSA-N 307.349 3.657 0 40 DHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cccc(F)c1 9169162 CVYXVPDISAQYEI-UHFFFAOYSA-N 323.283 3.874 0 40 DHAB Cc1ccnc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c1 9314263 VAWHCYZARLDCSG-UHFFFAOYSA-N 310.357 3.610 0 40 DHAB c1cc2c(cc1-c1csc(N3CCOCC3)n1)CCCC2 9909191 RNKUDPAMCZPVLA-UHFFFAOYSA-N 300.427 3.526 0 40 DHAB O=C(c1cccs1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12116156 NWIQJKJDPPXDFY-AWEZNQCLSA-N 311.410 3.992 0 40 DHAB C[C@H]1CCCCN1C(=O)CCn1c(C(F)F)cc2cccnc21 12187264 MZPPNKMCVXJLTF-LBPRGKRZSA-N 321.371 3.765 0 40 DHAB CC(C)[C@H](CC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 12296848 JBSNRAYWNCVKRH-SJORKVTESA-N 303.446 3.890 0 40 DHAB biogenic Cc1nc2ccccc2n1CC(=O)OCc1cccc(Cl)c1 12659188 ACUJAJUXELCZMW-UHFFFAOYSA-N 314.772 3.742 0 40 DHAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)ccc1Cl 15361035 XNVTYDAJUPLUME-LBPRGKRZSA-N 321.779 3.871 0 40 DHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccncc1 16180507 RBMMSMQIQJUIPD-UHFFFAOYSA-N 322.339 3.943 0 40 DHAB CC(C)(C)c1ccccc1OCC(=O)Nc1cc(N)ccc1F 19736649 QHTMCWWOOSPYGJ-UHFFFAOYSA-N 316.376 3.723 0 40 DHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCc1ccccc1 20455653 RGSKMLHVSSGZHC-MRXNPFEDSA-N 317.816 3.856 0 40 DHAB Nc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 20546440 ZNGFEGYTHAVKFJ-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB CC(C)[C@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 21872489 YSDGWBULSCOYNG-AWEZNQCLSA-N 301.430 3.689 0 40 DHAB CN(CCCNC(=O)c1cccc(Cl)c1)Cc1ccccc1 21938983 LZHHVXKFUFAKDI-UHFFFAOYSA-N 316.832 3.592 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)c2c(F)cccc2F)cc1 26122416 NWHBGHKKMYXHAV-LLVKDONJSA-N 305.324 3.855 0 40 DHAB COC(=O)c1c(NC(=O)Nc2cccc(F)c2)sc(C)c1C 32648119 CMWATNIAQMBXKR-UHFFFAOYSA-N 322.361 3.935 0 40 DHAB O=C(NCCC1=CCCCC1)NCCc1c[nH]c2ccccc12 32862487 AVUYHTNQWFGYPG-UHFFFAOYSA-N 311.429 3.900 0 40 DHAB C[C@@H](CNC(=O)[C@@H](C)n1cnc2ccccc21)c1ccccc1 36260047 BDITURCYQDLMME-LSDHHAIUSA-N 307.397 3.517 0 40 DHAB Cc1cc(C)c(CNC[C@H](O)c2ccc(F)c(F)c2)c(C)c1 40088597 JTYBYOVSNNCKOC-SFHVURJKSA-N 305.368 3.713 0 40 DHAB C[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 40103307 OXKAFWJBMUYYFJ-NSHDSACASA-N 320.776 3.635 0 40 DHAB CCCCOc1ccc(CCNC(=O)c2ccoc2C)cc1 40122368 SCAIIVGPACUCLO-UHFFFAOYSA-N 301.386 3.739 0 40 DHAB Cc1cc(CS[C@H](C)C(=O)Nc2c(C)cccc2C)no1 40511809 IKBAYCNJGGSTDF-CYBMUJFWSA-N 304.415 3.860 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(OC(C)C)nc1 42828461 GCFCMNXMGGEBLV-UHFFFAOYSA-N 310.397 3.770 0 40 DHAB O=C(O)[C@@H](NCc1ccccc1)c1ccc(C(F)(F)F)cc1 47844230 HFUIVXFCBXWSBT-AWEZNQCLSA-N 309.287 3.621 0 40 DHAB in-vitro Cc1ccc(SCC(=O)N2CCC(OCC(C)C)CC2)cc1 55909590 COCPLEUGNPEJSD-UHFFFAOYSA-N 321.486 3.751 0 40 DHAB O=C(c1ccccc1F)N(Cc1cccnc1)Cc1ccco1 58604335 GKEZOXOHAUDOMX-UHFFFAOYSA-N 310.328 3.656 0 40 DHAB Cc1nnc([C@@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)o1 69566211 YDNVWXFICIOBCL-SECBINFHSA-N 316.792 3.632 0 40 DHAB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccncc1 69774781 QJVLCGDLHPRDQU-UHFFFAOYSA-N 317.392 3.628 0 40 DHAB COCCn1ccc2cc(NC(=O)N3CCC(C)CC3)ccc21 71803399 YASOVIQEXPORDS-UHFFFAOYSA-N 315.417 3.552 0 40 DHAB CC(C)c1csc([C@H]2CCCN(C(=O)c3ccco3)C2)n1 72297248 UVSWOGZJPDRWQA-LBPRGKRZSA-N 304.415 3.879 0 40 DHAB C[C@H](O)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 72714011 FCVGEBBPOYXONE-VIFPVBQESA-N 300.185 3.724 0 40 DHAB CC(C)CCN1CCC(CNC(=O)CCC2CCCC2)CC1 75106153 DPAKXDUMVBWGKV-UHFFFAOYSA-N 308.510 3.831 0 40 DHAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1C 82087334 PDFLDYOYTDFPTO-IRXDYDNUSA-N 323.392 3.817 0 40 DHAB Cc1ccc(-c2ccsc2C(=O)Nc2c[nH]ccc2=O)cc1 84171902 NBJNIDWMNAABBP-UHFFFAOYSA-N 310.378 3.664 0 40 DHAB COC(=O)N(C)c1ccc(NCc2cccc3[nH]ccc23)cc1 89365241 JKMYAMKKAHITDC-UHFFFAOYSA-N 309.369 3.983 0 40 DHAB CCO[C@@H](C)c1nc(CN(C)c2nc(C)nc(C)c2C)cs1 95416552 QLLLPXJNNINSIL-LBPRGKRZSA-N 320.462 3.592 0 40 DHAB CC[C@@H](NCC1CCN(Cc2nc(C)c(C)o2)CC1)C(C)C 95967920 IJUKCVZXSYRRCW-QGZVFWFLSA-N 307.482 3.528 0 40 DHAB CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc2ccccc2o1 95969209 HBVKEFWHACKJDU-TZMCWYRMSA-N 310.401 3.772 0 40 DHAB CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)n2ccnc2)o1 96417135 TXVMRJFHZNSKOD-GDBMZVCRSA-N 315.417 3.743 0 40 DHAB Cc1ccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)cn1 96456261 RAWXCZUMYTWHIS-SNVBAGLBSA-N 316.304 3.615 0 40 DHAB CC[C@@H](N[C@@H](C)c1nnc(C)o1)c1ccc(Br)cc1 97033002 ZQZJYIWZZZBWAS-TVQRCGJNSA-N 324.222 3.942 0 40 DHAB C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(OC(F)F)c1 102792699 CZNYGZVUIOTWQF-NLRBGTRBSA-N 309.356 3.901 0 40 DHAB COc1c(Cl)cc(C(=O)Nc2ccccc2N)cc1Cl 119078329 CMUDHXGTIGANCB-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CC(C)Cn1cc(C(F)F)c(C(=O)OCc2ccccc2)n1 134451317 OAXKHLJCFMGKSG-UHFFFAOYSA-N 308.328 3.834 0 40 DHAB CC(C)c1cnc(NC(=O)NC2Cc3ccccc3C2)s1 192396819 BQVZHLNMLCBTNC-UHFFFAOYSA-N 301.415 3.555 0 40 DHAB CCCNC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224106314 PJDVBCBPZVXDIZ-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)cc1 224849695 BSZIJWXNRUZADB-UHFFFAOYSA-N 319.426 3.644 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225019119 HHFRXFRTLUBBOR-MRXNPFEDSA-N 323.436 3.958 0 40 DHAB CC[C@@H](NC(=S)Nc1cc(C)ccn1)c1ccc(OC)cc1 225491030 XWTAUULRMSMZTR-OAHLLOKOSA-N 315.442 3.836 0 40 DHAB COc1ccccc1CCCNC(=S)Nc1cccc(C)c1 225548838 RNHVVAMXIKUVST-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB C[C@H](OC(=O)c1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C 245228162 HTNKJHFZLVXDDT-XUJVJEKNSA-N 323.820 3.580 0 40 DHAB O=C(CCCOc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 408705750 MSJFFIDHYODVHP-XEZPLFJOSA-N 307.821 3.804 0 40 DHAB CC1(C2CC2)CCN(C(=O)c2cnc(O)c3ccccc23)CC1 573619852 KLAAKIOVCBVCLB-UHFFFAOYSA-N 310.397 3.593 0 40 DHAB Clc1cc2c(s1)CCN(c1nc3cnccc3s1)C2 1776001444 SRWJHWBRZQOLAY-UHFFFAOYSA-N 307.831 3.969 0 40 DHAB C[C@H](NC(=O)c1cc(N)ccc1O)c1cccc2ccccc12 1857794590 CGQRPLPTHLSVEQ-LBPRGKRZSA-N 306.365 3.619 0 40 DHAB FC(F)(F)c1ccc(N2[C@H]3CC[C@H]2CC(n2cccn2)C3)nc1 1888842763 UFBLAYYPKYHZQK-STQMWFEESA-N 322.334 3.669 0 40 DHAB C[C@H](Cc1csc2ccccc12)Nc1ncnc2c1ncn2C 1888913415 UUDKOXXKSSJNBR-LLVKDONJSA-N 323.425 3.621 0 40 DHAB COc1ccc2sc(N3CC[C@@H](c4ccccn4)C3)nc2c1 2298085413 XMTNVBYNACNVPB-GFCCVEGCSA-N 311.410 3.694 0 40 DHAB COc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 326730 MWDGAYDPUJTKCQ-UHFFFAOYSA-N 313.378 3.649 0 40 DHAB COc1cc([C@H]2Nc3ccccc3-c3cc(C)nn32)ccc1O 817679 QEPUEEKKMBNASE-SFHVURJKSA-N 307.353 3.545 0 40 DHAB Cc1cc2nc(C)c3c(n2n1)N(Cc1ccccc1Cl)CC3 1396356 GBQIZWUDYPHFAX-UHFFFAOYSA-N 312.804 3.562 0 40 DHAB CCOC(=O)c1ccc(NC(=O)N(CC)c2ccccc2)cc1 1753033 JXSYQNBETZXGEI-UHFFFAOYSA-N 312.369 3.922 0 40 DHAB CC(C)(C)OC(=O)N1[C@H](c2ccccc2)CCC[C@@H]1C(=O)O 2391715 QJJFWVCMROGUPE-UONOGXRCSA-N 305.374 3.602 0 40 DHAB in-vitro O=S(=O)(NCC1CCCCC1)c1cc(Cl)ccc1Cl 3285125 YBPDGIRDHJACSB-UHFFFAOYSA-N 322.257 3.852 0 40 DHAB Cc1ccc(OCC(=O)NCc2ccccc2Cl)cc1C 3611639 HOWGSSOGVXPYJJ-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)C1CCCCC1 4032999 ANCMCCUEQBXHJI-UHFFFAOYSA-N 320.396 3.915 0 40 DHAB Cc1c(C(=O)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1C 4062548 SQXLLPZXMMOGMS-CYBMUJFWSA-N 320.392 3.547 0 40 DHAB c1ccc2c(c1)nnn2-c1ncnc2sc3c(c12)CCCCC3 4183763 QAACDICJUQGBKH-UHFFFAOYSA-N 321.409 3.694 0 40 DHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]21 4614669 XVMUWRSZIXHJSM-MVJTYMMSSA-N 309.409 3.785 0 40 DHAB O=C(OCc1cccc(Br)c1)c1ccc(O)cc1 5061204 BEQNBDLZHTYSON-UHFFFAOYSA-N 307.143 3.512 0 40 DHAB O=C(Nc1cc(Cl)ccc1N1CCCCCC1)[C@H]1CCCO1 7985172 AKWJSSREQLILJD-MRXNPFEDSA-N 322.836 3.838 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)OCc1nc2ccccc2o1 8537619 HLGPFXAUELELJO-UHFFFAOYSA-N 320.348 3.985 0 40 DHAB CCCn1c(O)nnc1SCc1cccc(C(F)(F)F)c1 10438577 FOBCOHGIETVXRY-UHFFFAOYSA-N 317.336 3.705 0 40 DHAB Cc1cnc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)s1 11367444 CLQBKBIPHDNOKK-UHFFFAOYSA-N 314.410 3.542 0 40 DHAB Cc1occc1-c1nc(N2CCCC2)ncc1-c1ccncc1 12222830 XCIVHXZOURWFCM-UHFFFAOYSA-N 306.369 3.707 0 40 DHAB O=C(O)/C=C/c1cc(Br)ccc1OC1CCCC1 12394638 ZLIVTTWJQAFYKU-VMPITWQZSA-N 311.175 3.868 0 40 DHAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccs1 12520288 QIEYKWHPSIMUSJ-SNVBAGLBSA-N 315.373 3.768 0 40 DHAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccco1 13695059 WTIVGBCPYOBXLE-UHFFFAOYSA-N 324.380 3.611 0 40 DHAB O=C(Cc1ccc(F)cc1)NCc1ccc(Cl)cc1Cl 15303934 MVNKFCCMPKIDBJ-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@H](C)O1 17326239 SJACXJCFCJVRHS-TXEJJXNPSA-N 319.788 3.849 0 40 DHAB COc1ccccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 18173617 DSNSIYVSKOGTAG-JTQLQIEISA-N 302.296 3.501 0 40 DHAB CCOc1cc2c(cc1OC)[C@H](c1ccc(F)c(F)c1)NCC2 20506892 UDCZEDUWHLWAPI-SFHVURJKSA-N 319.351 3.607 0 40 DHAB biogenic C[C@H](CCc1ccccc1)NC(=O)c1cn[nH]c1-c1ccccc1 29001324 TXHHWSKDLWBUHD-OAHLLOKOSA-N 319.408 3.828 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)NCC(F)(F)F)ccc2c1 32716616 DWBDGSVRWZQEPV-SNVBAGLBSA-N 311.303 3.630 0 40 DHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)SC(F)(F)F 33145824 RUOJZLBUKWISIH-ZCFIWIBFSA-N 313.728 3.929 0 40 DHAB Cc1cccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c1 41077078 MUIYUMRPRCOODR-UHFFFAOYSA-N 321.380 3.500 0 40 DHAB Cc1noc(C(C)C)c1C(=O)NCCc1cccc2cccnc12 44896608 ZZMUPINLIXOTHN-UHFFFAOYSA-N 323.396 3.627 0 40 DHAB Cc1cccc(CSCC(=O)N2CCc3ccccc3C2)c1 50080516 KGGKIUXREKHGSN-UHFFFAOYSA-N 311.450 3.813 0 40 DHAB O=C(COCc1ccccc1)c1sccc1Br 50159304 OJDGOVLLTYOGDS-UHFFFAOYSA-N 311.200 3.910 0 40 DHAB CCn1nc(C)c2ncnc(N[C@H]3CCCc4ccccc43)c21 57312436 SXPVFBPEVSSNNR-HNNXBMFYSA-N 307.401 3.644 0 40 DHAB CCCNC(=O)[C@@H](C)SCc1csc(-c2ccco2)n1 58154209 UGFIJOGPLYZGMK-SNVBAGLBSA-N 310.444 3.551 0 40 DHAB C[C@@H](c1nc(=O)c2ccccc2[nH]1)N(C)CCCc1ccccc1 58315501 PGAOGWFXVSSTEY-HNNXBMFYSA-N 321.424 3.549 0 40 DHAB O=C(Nc1cnn(Cc2ccccc2)c1)c1cc2ccccc2o1 58407134 WACVVCFQJDUWMS-UHFFFAOYSA-N 317.348 3.930 0 40 DHAB Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2ccc(F)cc2)n1 69218431 VPCVJVXHBAWZSO-QWRGUYRKSA-N 307.394 3.712 0 40 DHAB Cc1cccc(-c2ccc(CNC(=O)C3CCOCC3)cc2)c1 70018591 IINBJCSYUKTNMW-UHFFFAOYSA-N 309.409 3.705 0 40 DHAB CCn1ncc2c1CCC[C@@H]2NCc1cnc(C(C)(C)C)s1 72298435 VHGZHRRKPINIOV-AWEZNQCLSA-N 318.490 3.824 0 40 DHAB FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCCNC2)c1 72356388 TZYJIYLALOSZFI-GFCCVEGCSA-N 307.319 3.629 0 40 DHAB Cc1cnc([C@@H](C)NC(=O)N[C@@H]2CCCc3ccccc32)s1 78351637 KAMASMVLXGWTPL-IUODEOHRSA-N 315.442 3.889 0 40 DHAB CCn1ccnc1CN1CCC[C@H](c2nc(C(C)C)cs2)C1 83843618 LGIHXASDVURJGC-AWEZNQCLSA-N 318.490 3.863 0 40 DHAB CSCc1cccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)c1 95416110 DXVXMRUAOZPYQG-BZUAXINKSA-N 320.458 3.629 0 40 DHAB Cc1cc(NC(=O)c2cc(F)ccc2Br)cc(C)n1 95418979 RYOKLIMCXGIEFA-UHFFFAOYSA-N 323.165 3.852 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 96223738 HVGPJPPESOLLHK-OAHLLOKOSA-N 309.369 3.580 0 40 DHAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC1CC(c2ccccc2)C1 96486655 ABBOBQYZOXGYQV-AXOLYNHLSA-N 311.429 3.583 0 40 DHAB CC(C)n1ccnc1CN[C@H](C)c1cccc(-n2cccn2)c1 96491844 JBFWKUHEWQZDOD-OAHLLOKOSA-N 309.417 3.501 0 40 DHAB CCCc1[nH]c2c(-c3ccccc3)c(C)nn2c(=O)c1Cl 100482395 WKMGURVAKIMFHV-UHFFFAOYSA-N 301.777 3.604 0 40 DHAB CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1 107358265 QGIKPKCIJAOYQR-VNQPRFMTSA-N 321.490 3.848 0 40 DHAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1Cl 225198633 ZPJZWUMJQOJARW-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccnn2C)c1 225662415 OATYQRYKUNGMIP-UHFFFAOYSA-N 321.380 3.560 0 40 DHAB Fc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225851531 WWRSOFFEUMXELH-UHFFFAOYSA-N 315.417 3.977 0 40 DHAB Cc1c[nH]c([C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 257319930 VUQMZXGDKGEOTR-NSHDSACASA-N 310.323 3.516 0 40 DHAB Cc1cc(C)cc(CSCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 408833765 YDQBBCOUEAJZDV-BHYGNILZSA-N 303.471 3.841 0 40 DHAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NCc3ccccc3)[C@H]1CC2 675082793 LCJXSQNBSIRCGE-YESZJQIVSA-N 316.445 3.707 0 40 DHAB c1ccc(CO[C@H]2CN(C3CCCCC3)C[C@@]23CCCO3)cc1 2037849973 ZIEGXTGEGQRUHX-PMACEKPBSA-N 315.457 3.769 0 40 DHAB CCOc1ccc2[nH]c3c(N4C[C@H](C)C[C@@H](C)C4)ncnc3c2c1 536689 XWAYJNMEZYADDT-CHWSQXEVSA-N 324.428 3.992 0 40 DHAB O=C(Cc1csc(-c2ccccc2)n1)N1CCc2ccccc21 2634540 LVGAGSIUVWWYCT-UHFFFAOYSA-N 320.417 3.942 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)N2CCCc3ccccc32)n1 3391671 WCOKCUJIRUFWAG-LBPRGKRZSA-N 318.467 3.912 0 40 DHAB CC(=O)c1cccc(NC(=O)CSc2ccccc2F)c1 3473569 PSICCDJIOXDLCG-UHFFFAOYSA-N 303.358 3.759 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccccc1 3907625 NIXOXJQXKWMQNM-LBPRGKRZSA-N 310.328 3.972 0 40 DHAB Cc1c(Cl)cccc1NC(=O)C(=O)c1c[nH]c2ccccc12 4163253 YYBFKTNAQYYEEM-UHFFFAOYSA-N 312.756 3.951 0 40 DHAB Cc1nc2cc(NC(=O)NCCC3=CCCCC3)ccc2n1C 4679320 KJSTUBZBTQQLGT-UHFFFAOYSA-N 312.417 3.894 0 40 DHAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1F 4696158 MBLFJPKNHCJJCQ-UHFFFAOYSA-N 305.378 3.977 0 40 DHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccccc1 4909954 KUTOUJFJTPGYFZ-QGZVFWFLSA-N 307.353 3.625 0 40 DHAB Cc1ccc2c(CC(=O)NCCc3ccc(F)cc3)coc2c1 5465792 ULPPNGBXSWAPIQ-UHFFFAOYSA-N 311.356 3.782 0 40 DHAB COc1ccccc1C(=O)Nc1cc(-c2ccc(C)cc2)no1 5484097 SIQCNUPDSPZZFQ-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB Cc1noc(C)c1C(=O)Nc1nc(-c2cccs2)cs1 6839582 QDJWGCUBWJKLLB-UHFFFAOYSA-N 305.384 3.729 0 40 DHAB COC(=O)c1c(CN2CCCCCC2)nc2ccccc2c1C 7339542 GOSOYYXNHQGHEJ-UHFFFAOYSA-N 312.413 3.706 0 40 DHAB O=C(COc1ccc(Cl)cc1)Nc1ccnn1C1CCCC1 7705620 JOAWIXPOLBQGID-UHFFFAOYSA-N 319.792 3.669 0 40 DHAB C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]1c1cccs1 8320163 FHNLQMOTWOJGGY-UKRRQHHQSA-N 300.427 3.912 0 40 DHAB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCC(=O)O 8570842 HACZVFRULCQWQZ-GIJQJNRQSA-N 303.745 3.862 0 40 DHAB C[C@H](NC(=S)NC(=O)C(C)(C)C)C12CC3CC(CC(C3)C1)C2 9140403 WMWCKMHYAJDTGL-IWERZKIRSA-N 322.518 3.628 0 40 DHAB CC(=O)c1cccc(NC(=O)CCC(=O)c2ccc(C)s2)c1 9255107 LUJOPXNOLRTDEU-UHFFFAOYSA-N 315.394 3.861 0 40 DHAB Cc1c(C)c(C)c(C(=O)CSc2nnc(N)s2)c(C)c1C 9578056 VSDRUZWKQDPIRM-UHFFFAOYSA-N 321.471 3.637 0 40 DHAB CNc1nn(-c2ccc(C)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 9936333 HNCYMKDYDQWUJA-CYBMUJFWSA-N 321.380 3.728 0 40 DHAB CN(C)[C@H](CNC(=O)c1cccc2ccccc12)c1ccccc1 10328164 BUADKQDGOCCPMJ-HXUWFJFHSA-N 318.420 3.873 0 40 DHAB CSc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 10449606 BPVQHODUJHIJPA-UHFFFAOYSA-N 319.451 3.550 0 40 DHAB Cc1ccc(-c2nc(C(=O)N3CCC(C)CC3)cs2)cc1 12981628 JYEXZIAWLOFVRR-UHFFFAOYSA-N 300.427 3.991 0 40 DHAB CCCCC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 13494932 QLAQSYZJKRUKND-JTQLQIEISA-N 307.781 3.757 0 40 DHAB CCn1c(=O)sc2cc(NC(=O)c3cccc(C)c3)ccc21 15830602 XCGABYQYWZZPFB-UHFFFAOYSA-N 312.394 3.644 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 17466902 JYAYGACMDBQVJS-JFIYKMOQSA-N 319.489 3.987 0 40 DHAB CCOc1ccc(CN2CCN(C3CCC(C)CC3)CC2)cc1 19842310 JKXYVTUCLOSGAX-UHFFFAOYSA-N 316.489 3.782 0 40 DHAB CCOc1c(CNCCc2ccc(F)cc2)cccc1OC 22074626 CSGIPQXCUISOTG-UHFFFAOYSA-N 303.377 3.565 0 40 DHAB CC(C)c1noc(CSc2nc(CCC3CCCC3)n[nH]2)n1 25450746 LQDJJAZWQICCPE-UHFFFAOYSA-N 321.450 3.726 0 40 DHAB Cc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)[nH]c2c1C(=O)CC(C)(C)C2 25594759 PAOOMKRXZLMZHX-RYUDHWBXSA-N 316.445 3.596 0 40 DHAB COc1ccccc1CNC(=O)N[C@H](C)c1cccc(Cl)c1 25987448 OZZDDVHRVZLSON-GFCCVEGCSA-N 318.804 3.909 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(OC)cc2)c2cccnc12 28402899 PPEXNLMEIHAGQE-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB CN(C)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1 30763280 YRMNVCMBJRKRDW-IBGZPJMESA-N 308.425 3.600 0 40 DHAB CC(C)c1nnc2ccc(NCc3ccccc3Cl)nn12 32104715 CCWBWJSRUMJTTD-UHFFFAOYSA-N 301.781 3.513 0 40 DHAB CCc1nnsc1C(=O)Nc1ccc2oc(C(C)C)nc2c1 33217060 APNWXDQCTZGJLP-UHFFFAOYSA-N 316.386 3.617 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)NCC2=CCCCC2)c1C 36636276 NHTDQKAIZIDGHZ-UHFFFAOYSA-N 307.459 3.699 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CCOc2cccc(Cl)c2)o1 40091146 CVNOJOLIXSTHOS-GFCCVEGCSA-N 307.777 3.888 0 40 DHAB Clc1ccc(CN(Cc2ccc(Cl)nc2)C2CC2)cn1 44029836 ZOCQQJSWOJQFRN-UHFFFAOYSA-N 308.212 3.948 0 40 DHAB Cc1ccc(C)c(CC(=O)NCCSCc2ccccc2)c1 44902995 SEKVQZSGLCDNHI-UHFFFAOYSA-N 313.466 3.896 0 40 DHAB O=C(NC1CCCCCCC1)c1c(Cl)nc2ccccn12 47240790 SHESGTMLZRWHIM-UHFFFAOYSA-N 305.809 3.830 0 40 DHAB C[C@H](C(=O)N1CCCCCC1)N(C)Cc1cccc(Cl)c1 48286877 OIACCPHUOSNZKS-CQSZACIVSA-N 308.853 3.563 0 40 DHAB Cc1nc(S[C@@H]2CCCc3ccccc32)sc1CC(N)=O 48361694 RFNOMYSVMIAHJV-CYBMUJFWSA-N 318.467 3.649 0 40 DHAB COc1ccc(Br)c2nccc(Br)c12 49581995 JHYNIBACSXWPDH-UHFFFAOYSA-N 316.980 3.768 0 40 DHAB C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 58424892 GKYCOGIAJRIERK-ZDUSSCGKSA-N 315.442 3.797 0 40 DHAB CCCCc1noc(CNc2ccccc2OC(F)(F)F)n1 58603180 RNNFYVRVRNFFSG-UHFFFAOYSA-N 315.295 3.923 0 40 DHAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)c1 59227347 KNRHCEFEIBVOLH-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CCC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 59291110 TZYIWGJZKUKDOX-UHFFFAOYSA-N 302.761 3.941 0 40 DHAB COc1ccc(OCCCNc2cnc3ccccc3n2)cc1 60031610 BDCHTILHAYKWRY-UHFFFAOYSA-N 309.369 3.519 0 40 DHAB CCOC(=O)c1ccc(OC)c(OCc2ccc(C)cc2)c1 62170293 MXTODFKCRJTRIU-UHFFFAOYSA-N 300.354 3.759 0 40 DHAB Cc1nc(C[S@@](=O)Cc2ccccc2C(F)(F)F)cs1 69772672 HFGDNVVLWRUBKP-HXUWFJFHSA-N 319.373 3.919 0 40 DHAB Cc1nc(NC(=O)c2sc(-n3cccc3)nc2C)sc1C 72406024 MDKLJMSRNIWACY-UHFFFAOYSA-N 318.427 3.568 0 40 DHAB O=C(c1ccc(Cl)s1)N(C[C@@H]1CCCO1)c1ccncc1 79310482 IHNRKWMWBLBMEP-LBPRGKRZSA-N 322.817 3.622 0 40 DHAB Cc1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C3CCCCC3)C2)n[nH]1 84110226 CSBFEQSMTYBOKA-ZACQAIPSSA-N 315.461 3.641 0 40 DHAB NC(=O)c1cccc(Oc2ccc(NC(=O)C3=CCCC3)cc2)c1 89780730 GMRGAXRVQRFAMY-UHFFFAOYSA-N 322.364 3.627 0 40 DHAB CCc1sc([C@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1C 95440053 OYGPIQPSILSWJL-STQMWFEESA-N 309.475 3.859 0 40 DHAB CN1CCC2(CC1)CN(Cc1cccs1)Cc1ccccc12 96242384 KQNJCSBDFWAVIV-UHFFFAOYSA-N 312.482 3.727 0 40 DHAB CCc1ncncc1C(=O)Nc1cccc(NC2CCCC2)c1 96436420 NOAIWBCMQNRQHI-UHFFFAOYSA-N 310.401 3.646 0 40 DHAB CCc1c(C)nc2ccccc2c1NC(=O)NCc1ccncc1 97117741 OIVFADNTEXAALF-UHFFFAOYSA-N 320.396 3.822 0 40 DHAB COc1cccc(CNc2ccc(OCC(F)(F)F)nc2)c1 97393519 PTTVPSRCNMHBPA-UHFFFAOYSA-N 312.291 3.643 0 40 DHAB C1CC2(CO1)[C@H]1[C@@H]3CC[C@H]4C5C6[C@@H]([C@H]43)[C@@H]1[C@H]1[C@@H]6[C@@H]3[C@H]5CC[C@H]3[C@H]12 104294469 QUHROFCTPBXVCA-QTCQPWDPSA-N 308.465 3.689 0 40 DHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CC(C)(C)C 108336742 RLPJXNQNQYXKHE-DOTOQJQBSA-N 300.446 3.566 0 40 DHAB CCCCN(C)c1nc(Cl)nc(Nc2cccc(F)c2)n1 199827294 CRRFHLFQLUCNNG-UHFFFAOYSA-N 309.776 3.644 0 40 DHAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1O 221274906 PTZFTFYVYGYYDI-YBEGLDIGSA-N 313.378 3.876 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C 223250038 APPOEMTYJJYQRL-CQSZACIVSA-N 309.409 3.983 0 40 DHAB COc1ccc(CCC(=O)Nc2c(F)cccc2F)cc1C 223283749 VIZTYCWGNGCFKA-UHFFFAOYSA-N 305.324 3.853 0 40 DHAB CC(C)Oc1ccccc1C(=O)NCCSC1CCCC1 224294091 MRKXESVDBNZJAT-UHFFFAOYSA-N 307.459 3.879 0 40 DHAB CCOc1ccc(C(=O)NC)cc1COc1ccc(C)c(C)c1 224617157 CGBBQOPIXHLQNK-UHFFFAOYSA-N 313.397 3.641 0 40 DHAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COC(C)C)c1 224720890 WMNAXNNPFCQSAT-CQSZACIVSA-N 307.434 3.929 0 40 DHAB COc1ccccc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225097717 CZRXARVGBNAVBI-IBGZPJMESA-N 322.360 3.923 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(F)cc1 225581374 JSSSMYSLNVRCOC-MRXNPFEDSA-N 323.481 3.767 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 225601086 VVJZKBTUBRJLFG-ZDUSSCGKSA-N 321.417 3.736 0 40 DHAB Fc1ccc(-c2cnc(CN3CC[C@H](c4cccnc4)C3)o2)cc1 515379874 YRYCEYRGMUAIBH-INIZCTEOSA-N 323.371 3.865 0 40 DHAB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccc(C2CCC2)cc1 529084358 BJIDWOKGWGKCCI-KBXCAEBGSA-N 300.402 3.643 0 40 DHAB COC1(CNc2ccc(NC(=O)N3CCCCCC3)cc2)CC1 585141023 NODBSALWVROPIQ-UHFFFAOYSA-N 317.433 3.685 0 40 DHAB Brc1cccc(CNc2cc(C3CC3)ncn2)c1 710104443 TYDQTXIEMIJEGY-UHFFFAOYSA-N 304.191 3.729 0 40 DHAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OC(F)F 1505840461 JCQFSUALAZNKNA-UHFFFAOYSA-N 318.279 3.612 0 40 DHAB Cc1cccc(COC(=O)c2ccnc3cc(Cl)ccc23)n1 1533337749 MOGSACLISDSFPZ-UHFFFAOYSA-N 312.756 3.949 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCc1ccc(OC)cc1 1775996158 XWMLTGNAVNMZCK-CALCHBBNSA-N 314.429 3.520 0 40 DHAB CCc1cnc(OC2CCN([C@H](C)c3ccccc3)CC2)nc1 1888860272 KGVGWFLNJIBHBY-OAHLLOKOSA-N 311.429 3.643 0 40 DHAB O=C(Nc1ccc(Cl)cn1)c1cccc(Br)c1 58979 UZZLSZZSCCZKHP-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1 307667 CPGOAQIHAMEFBY-QGZVFWFLSA-N 324.380 3.597 0 40 DHAB O=C(C1CCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 324702 GUCADIRGPKVSKM-OAHLLOKOSA-N 311.385 3.590 0 40 DHAB CCCC[C@@H](c1ccccc1)C(C(=O)OCC)C(=O)OCC 2042115 KVRXSCFFVPWRKR-HNNXBMFYSA-N 306.402 3.703 0 40 DHAB CCCCC(=O)N1Cc2cc(OC)c(OC)cc2CC1(C)C 2156759 ORDNTBFIBILHTO-UHFFFAOYSA-N 305.418 3.557 0 40 DHAB biogenic COc1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1 2618262 MDCGPELDSRLGOU-UHFFFAOYSA-N 311.337 3.631 0 40 DHAB COc1cc(C(=O)Nc2ccccc2C)ccc1OC(F)F 2797051 KCPYWNGKUVYDTM-UHFFFAOYSA-N 307.296 3.857 0 40 DHAB O=C(CN1CCCCC1)Nc1cccc(Oc2ccccc2)c1 3476704 SGIIYAZGAFCUKR-UHFFFAOYSA-N 310.397 3.903 0 40 DHAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc2ccccc2c1 3510870 KUNDTJYHPRAULT-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(O)cc1 4090284 OPPJZUUQOXKQOD-UHFFFAOYSA-N 322.408 3.555 0 40 DHAB biogenic CCCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 4503072 UNPWBCUCYXSZAI-UHFFFAOYSA-N 300.358 3.969 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1cccc(OC(C)C)c1 5846909 ZUTQURXVNALAMZ-UHFFFAOYSA-N 313.353 3.513 0 40 DHAB Cc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 6189780 MQAYEXKXKOQNBO-UHFFFAOYSA-N 313.441 3.767 0 40 DHAB Cc1cccc(C)c1NC(=O)CN[C@H](C)CCc1ccccc1 6653268 LOZNUBMYQGYUNT-QGZVFWFLSA-N 310.441 3.853 0 40 DHAB c1coc(-c2cc(CSc3nnc4n3CCCCC4)no2)c1 7280924 FVCGTADBUTVEDJ-UHFFFAOYSA-N 316.386 3.545 0 40 DHAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(Cl)cc1 7976304 HZOLRTNJBFGOKV-UHFFFAOYSA-N 302.761 3.593 0 40 DHAB O=C(CCc1cnn(-c2ccccc2)c1)NC1CCCCCC1 8132189 JDQAMZWSBFJPMY-UHFFFAOYSA-N 311.429 3.644 0 40 DHAB Cc1[nH]c2ccc(C(=O)Nn3cnc4ccccc43)cc2c1C 8744595 LVCSICSUMZCTAE-UHFFFAOYSA-N 304.353 3.518 0 40 DHAB COC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 8935400 VAAMCUWKEXZMOI-UHFFFAOYSA-N 311.381 3.730 0 40 DHAB C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 10338522 GHXWMZNUCJBRSY-MRXNPFEDSA-N 308.425 3.773 0 40 DHAB Cc1nc(SCC(=O)N[C@@H](C)C(C)C)n(C2CCCC2)c1C 12544284 GHECXCKOXBHDCM-LBPRGKRZSA-N 323.506 3.868 0 40 DHAB Cc1cc(N[C@@H](c2ccccc2)c2cccs2)n2ncnc2n1 12895765 PAKDVFFMNXVNDX-INIZCTEOSA-N 321.409 3.696 0 40 DHAB C[C@H](Sc1ccccc1C(=O)O)C(=O)N(C)c1ccccc1 12976520 AOQDLKNMCLIZBV-LBPRGKRZSA-N 315.394 3.528 0 40 DHAB O=C(O)c1ccc(CNC(=S)Nc2cccc(Cl)c2)cc1 13813127 GLPHECLCFHETFP-UHFFFAOYSA-N 320.801 3.525 0 40 DHAB CCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 15363603 LFAKEUXLVZOGTH-ZDUSSCGKSA-N 317.360 3.939 0 40 DHAB CC(=O)N(Cc1nc2ccccc2nc1C)c1ccc(C)cc1 16292591 QQOUHNPWSSOXOH-UHFFFAOYSA-N 305.381 3.800 0 40 DHAB CCCC[C@H](CC)CNC(=O)CC(C)(C)CC(=O)N1CCCC1 19809951 MCQDBQKESFBKHK-INIZCTEOSA-N 324.509 3.748 0 40 DHAB Cc1c(C(=O)Nc2ccc(C(C)C)cc2)nnn1-c1ccccc1 19910908 SNISSFROIQQAJQ-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB COc1cccc(OC)c1C(=O)N[C@H]1CCCc2ccccc21 20459385 ODWJGMLBLKIOBR-HNNXBMFYSA-N 311.381 3.511 0 40 DHAB Cc1c(Cl)c(CSc2nncn2C)nc2ccccc12 21494194 KDLVDMWBIWVXNB-UHFFFAOYSA-N 304.806 3.617 0 40 DHAB CC(C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22333599 KBJZRUZFGKDHPK-UHFFFAOYSA-N 322.452 3.576 0 40 DHAB O=C(CCn1ccc2ccccc21)N(Cc1cccnc1)C1CC1 28517371 CJBRLUJKUPNHEL-UHFFFAOYSA-N 319.408 3.618 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 32680945 AJZUSQPQUZJHLL-KBPBESRZSA-N 301.361 3.608 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)n1 33123895 CCDQBIAESIWPPV-UHFFFAOYSA-N 321.355 3.772 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc3ccccc3c2)C1 33546173 ZIFHGHPZOZPZEN-GPMSIDNRSA-N 313.441 3.557 0 40 DHAB Clc1cccc(CNCCCOc2ccccn2)c1Cl 35287337 JNZDOQZSXDGGCY-UHFFFAOYSA-N 311.212 3.947 0 40 DHAB CC(C)(CC(=O)O)CC(=O)Nc1ccc2oc(C3CC3)nc2c1 46834797 BZOFHBCVJVQPJW-UHFFFAOYSA-N 316.357 3.535 0 40 DHAB C[C@@H](Cc1ccsc1)NC(=O)N1CCC[C@H]1c1ccncc1 50156611 WJNGWXBVJIEHIR-BBRMVZONSA-N 315.442 3.621 0 40 DHAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)c1cccs1 58405178 LRVWBUUFQCLCGG-LBPRGKRZSA-N 306.479 3.522 0 40 DHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)cc1C 58430370 ZEFAZJQJCXHAKN-GOSISDBHSA-N 320.396 3.552 0 40 DHAB Cc1ncc(CS(=O)(=O)Cc2ccc(C(C)C)cc2)s1 65547991 PVDJYWZYKBJXFH-UHFFFAOYSA-N 309.456 3.690 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cl)cc1F 65721060 IYKKGRWQELQZBS-GFCCVEGCSA-N 321.779 3.985 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2cc(F)ccc2C)ccc1F 66489107 DUJWZDFUTBYYSJ-UHFFFAOYSA-N 320.295 3.704 0 40 DHAB CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2cccnc2)c1 71910810 PPHHIEIIJBQUNI-KRWDZBQOSA-N 310.401 3.517 0 40 DHAB CCCC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 72291479 MDKRPDSPRGGMHK-UHFFFAOYSA-N 316.426 3.759 0 40 DHAB C[C@H](CC(=O)NCC[C@H](O)c1ccccc1)C1CCCCC1 72303077 RXSWPEMAVGZALA-QAPCUYQASA-N 303.446 3.833 0 40 DHAB COc1ccc(NC(=O)c2ccc(NCc3ccon3)cc2)cc1 76019725 YRPDGPVFTJRRAK-UHFFFAOYSA-N 323.352 3.548 0 40 DHAB Cc1cc([C@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)n[nH]1 84110288 OCYOORRAIZEWIV-FUHWJXTLSA-N 323.440 3.544 0 40 DHAB CO[C@H](C)c1cccc(NCc2nnc(-c3ccccc3)n2C)c1 90371506 DRPOBZBWEOTKJU-CQSZACIVSA-N 322.412 3.802 0 40 DHAB CCCn1c(CN(C)Cc2nccs2)nc2ccccc21 93582307 AVICNFDIMABEFS-UHFFFAOYSA-N 300.431 3.535 0 40 DHAB CC(C)Cn1ccnc(S[C@H](C)c2ccccc2F)c1=O 94151987 ZDRYLZZMCURMAN-GFCCVEGCSA-N 306.406 3.892 0 40 DHAB Cc1c(C(=O)N2CCCCC[C@H]2c2ccco2)ccc2cncn12 95465664 CINMXEWCXBGVJK-KRWDZBQOSA-N 323.396 3.993 0 40 DHAB Cc1nc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)oc1C 95985845 SVEOUDOGLXPINF-RDJZCZTQSA-N 300.402 3.549 0 40 DHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](c3ccc(N(C)C)cc3)[C@H]1[C@@H]2C 100494898 ARHZHRUTGKCDRK-RFGKEDTNSA-N 315.457 3.651 0 40 DHAB C/C(O)=C1/C(=O)N[C@]23CCCC[C@@H]2[C@@H]1c1cc(Cl)ccc1O3 101530505 GPUFUHHFUPADPT-FLNJRXDKSA-N 319.788 3.664 0 40 DHAB CC(C)Oc1ccc(NC(=O)Nc2cnn(C)c2)c(Cl)c1 187261852 BPYRWHIHBLSPPO-UHFFFAOYSA-N 308.769 3.505 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3sncc3c2)c1 190153029 TXXLZUMQMPZZRK-UHFFFAOYSA-N 318.423 3.714 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)NCCSC1CCCCC1 219481831 FWSMJYUGXHZNHP-CQSZACIVSA-N 307.459 3.636 0 40 DHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222556397 VHXRIUUWGGOJDX-IAOVAPTHSA-N 309.438 3.979 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccccc2Cl)cc1C 224239388 WPRULSFOFSXMFX-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1cccs1 225131466 OONALYYYUCGTAJ-UHFFFAOYSA-N 315.847 3.925 0 40 DHAB CCOc1ccccc1NC(=S)NCc1cccc(C)c1 225426182 IDPJUIJDLFXTAI-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB Cc1c(C2CCCCC2)noc1NC(=O)c1ccc2nccn2c1 297840121 RGHPBXOIZXMQCB-UHFFFAOYSA-N 324.384 3.931 0 40 DHAB CN(C(=O)COc1ccsc1Cl)[C@@H]1CCc2ccccc21 551169886 XWFNIBQGQXWXHD-CYBMUJFWSA-N 321.829 3.926 0 40 DHAB Brc1ccc2nccc(OC3CCOCC3)c2c1 685937079 ALEFINQWPAGEND-UHFFFAOYSA-N 308.175 3.555 0 40 DHAB Cc1nccc([C@@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)n1 1848353863 ONZFJOHXHNXEHB-QGZVFWFLSA-N 306.413 3.646 0 40 DHAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCCCC1 220723 VMHOTPJGIAYVFV-UHFFFAOYSA-N 317.392 3.923 0 40 DHAB COc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(C)c1 375183 YMRFZZDXHPULOK-UHFFFAOYSA-N 307.296 3.857 0 40 DHAB CC[C@@H](CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 529345 JLPGUYIBZABPAC-QMMMGPOBSA-N 304.173 3.823 0 40 DHAB O=C(c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 1358600 NULDNYBISHOZQY-UHFFFAOYSA-N 305.381 3.583 0 40 DHAB CN(C)c1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 1669813 ZGTAGYGQXZDYGQ-UHFFFAOYSA-N 306.365 3.864 0 40 DHAB COc1ccc(OCCCC(=O)N(C)Cc2ccccc2)cc1 1778221 HJRUIZUCTJXXIS-UHFFFAOYSA-N 313.397 3.513 0 40 DHAB Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1Cl 2129294 SPIIDRMCTHYLNE-DLBZAZTESA-N 321.804 3.709 0 40 DHAB OCc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc(F)cc1 2544972 CDSYOQOBXZTUAB-UHFFFAOYSA-N 320.726 3.963 0 40 DHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1coc2ccccc2c1=O 3245319 IUYDSWIXGKYRTC-AUWJEWJLSA-N 323.735 3.939 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1F 3487014 WADWCPUCCXLKOH-UHFFFAOYSA-N 308.740 3.538 0 40 DHAB CC(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 3611455 CYPGVDKEKHPZNQ-UHFFFAOYSA-N 306.365 3.942 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cc(C)cc(C)c1 4671639 IPVLSAPFZDARIV-OAHLLOKOSA-N 304.434 3.575 0 40 DHAB COc1ccc(-c2nc(-c3c(F)cccc3F)no2)cc1F 4675604 WQSFFYGLFYBQCN-UHFFFAOYSA-N 306.243 3.830 0 40 DHAB C[C@@H](Sc1nnc(-c2ccco2)n1N)c1ccccc1Cl 5336027 XDWUXXQCCCUTBN-SECBINFHSA-N 320.805 3.759 0 40 DHAB CCCOc1ccc(CNC(=O)c2ccc(C)cc2)cc1OC 6204672 SEUJDIVSBOEPIM-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)cc1 6595771 NHYCASAPIRSFOF-GFCCVEGCSA-N 303.333 3.630 0 40 DHAB CCCCc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 6652867 IMWIIZSFFCGVLO-PBHICJAKSA-N 316.445 3.663 0 40 DHAB CC(C)CCNC(=S)Nc1cccc(Br)c1 8104374 ISPRHRGEZJPFBQ-UHFFFAOYSA-N 301.253 3.782 0 40 DHAB Cc1nc2cc(NC(=O)Cc3ccc4c(c3)CCC4)ccc2o1 8275990 BDPBQMQBZGYSNK-UHFFFAOYSA-N 306.365 3.806 0 40 DHAB COc1ccc(-c2ccc(CNCCCN(C)C)o2)cc1Cl 8373877 DLRZDYIDMGRDGA-UHFFFAOYSA-N 322.836 3.650 0 40 DHAB O=C(c1ccccc1)N1CCCC[C@H]1CCN1CCCCC1 8613173 RCDIVBQDGNALGO-SFHVURJKSA-N 300.446 3.557 0 40 DHAB Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10544438 PQLLSPOROWNXQF-OAHLLOKOSA-N 319.408 3.891 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)N[C@@H](c1cccs1)C1CC1 12875439 OMXKPERWONRUET-OAHLLOKOSA-N 316.382 3.750 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 13012667 GJWVNCAEGZOABK-STQMWFEESA-N 301.386 3.590 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN[C@@H]1CCCC[C@@H]1C 13145632 FHVURWWJQTVXLA-LZLYRXPVSA-N 305.462 3.718 0 40 DHAB CCn1nc(C)cc1NC(=O)C(c1ccccc1)c1ccccc1 13656571 DVAYAZVJSLUGPN-UHFFFAOYSA-N 319.408 3.982 0 40 DHAB CCONC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 14242527 WRFMQURTBMPTAE-UHFFFAOYSA-N 321.380 3.529 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCCSC2CCCCC2)c1 14396240 ASTKQSWTUHLRTL-OAHLLOKOSA-N 321.486 3.944 0 40 DHAB Cc1ccc(C)c([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 14573707 YZLXHGBLWAHHRM-LOWQCSRCSA-N 323.392 3.923 0 40 DHAB COc1ccc(OC)c(NC(=O)CCSc2ccccc2)c1 15083357 JZAYLOJPKACUTE-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB CC(=O)n1c(-c2nc3ccccc3nc2C)nc2ccccc21 16265638 YVXZDGIBSJIGKB-UHFFFAOYSA-N 302.337 3.615 0 40 DHAB Cc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 17346187 USJLCCBAMXQCLU-UHFFFAOYSA-N 307.315 3.873 0 40 DHAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 18106729 CKQYFMVYWHXHJL-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cn1 20605796 MCXAKCDSSBJREK-UHFFFAOYSA-N 308.263 3.520 0 40 DHAB COc1ccc(OC)c(CN(C(=O)c2cccs2)C2CC2)c1 25804246 SCYLBGVOEUKUAX-UHFFFAOYSA-N 317.410 3.570 0 40 DHAB CN(C(=O)OCc1ccccc1)[C@H](CC(=O)O)C1CCCCC1 26895869 GPHPUDHRCUNEMN-MRXNPFEDSA-N 319.401 3.679 0 40 DHAB Cc1cc(COC(=O)c2ccccc2C(=O)c2ccccc2)on1 32823682 VNSZZWOMNMMXAA-UHFFFAOYSA-N 321.332 3.571 0 40 DHAB Cc1ccc(CNC(=O)Nc2ccccc2N2CCCC2)cc1 43486022 NALAWCBMLLEOHA-UHFFFAOYSA-N 309.413 3.917 0 40 DHAB O[C@@H](c1ccccc1)C(F)(F)n1ccnc1-c1ccccc1 43879536 PXVHTXQGORVXCP-HNNXBMFYSA-N 300.308 3.833 0 40 DHAB C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1cccs1 44866356 AXAQHNNOBPMEGL-IDVQTMNDSA-N 309.394 3.582 0 40 DHAB C[C@@H](Sc1ccccc1)C(=O)NCCSC1CCCC1 46450817 IQNZBSLVKIEEHA-CYBMUJFWSA-N 309.500 3.959 0 40 DHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc2cccnc12 48354033 YSEDTRIIHSNJFJ-NJAFHUGGSA-N 324.424 3.541 0 40 DHAB COc1ccc(Nc2nc3ccccc3o2)cc1N1CCCC1=O 52005994 MQFURDPEWMJHKR-UHFFFAOYSA-N 323.352 3.707 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1Cl 57340457 CKSRWPWRVAOEBQ-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB CCOc1ccccc1NCC(=O)N1c2ccccc2CC[C@H]1C 57974090 BNNOGRRNCWJFIZ-OAHLLOKOSA-N 324.424 3.865 0 40 DHAB COc1cc2nccc(Nc3cccc(C(=O)O)c3)c2cc1OC 62718722 PEHAUMBUMXAPDN-UHFFFAOYSA-N 324.336 3.694 0 40 DHAB CC(C)(C)SCCNC(=O)c1ccccc1Br 66739240 INMNHVXNWMPLJB-UHFFFAOYSA-N 316.264 3.711 0 40 DHAB COc1ccc(NC(C)=O)cc1OCc1ccc2ccccc2n1 69393032 HXMBEOFDESDNRH-UHFFFAOYSA-N 322.364 3.781 0 40 DHAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1C(F)(F)F 71824496 ZGKAJJFQPXKEPR-ABAIWWIYSA-N 322.330 3.583 0 40 DHAB CCCCNC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 71909603 XAQNLSQDZYGBRE-NRFANRHFSA-N 310.463 3.655 0 40 DHAB CC(C)c1nnc(C[S@@](=O)c2ccc3ccccc3c2)o1 79105054 KFPGHCBHVXTHAN-NRFANRHFSA-N 300.383 3.654 0 40 DHAB CC(C)C[C@@H](NC(=O)Nc1cccc(F)c1)C(=O)OC(C)(C)C 89856480 HSTXJMKSLDUCMG-CQSZACIVSA-N 324.396 3.704 0 40 DHAB Cc1ncsc1CN1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 93606497 GMCYEATUEFVRED-NHYWBVRUSA-N 306.406 3.553 0 40 DHAB O=C(c1ccc(NC2CC2)nc1)N(CC1CCCCC1)C1CC1 95369517 UMPGVPHOEPYLRS-UHFFFAOYSA-N 313.445 3.841 0 40 DHAB CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(C)c(C)c2)c1 95463197 CAQVEEDUQHCSHG-RBUKOAKNSA-N 309.409 3.988 0 40 DHAB CC(C)n1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1 95958919 UMDRRWRQTUXJCW-UHFFFAOYSA-N 312.417 3.707 0 40 DHAB COc1ccc(-c2cc(Oc3ccc(C(=O)O)cc3)ncn2)cc1 96531091 QIBLGHJXURJEMZ-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB CCN(CC)C1CCN([C@@H](C)c2cc(OC)ccc2OC)CC1 97165399 NLJYPTUWSCUCJU-HNNXBMFYSA-N 320.477 3.571 0 40 DHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)NCc2ccccc2)C1 100984415 MGDNADWLORGFGA-MAUKXSAKSA-N 302.487 3.962 0 40 DHAB O[C@H](C[C@@H]1CCCCCN1Cc1ccccn1)c1ccco1 108105052 RALQCDQKKYIZEJ-DLBZAZTESA-N 300.402 3.543 0 40 DHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113951567 SSVZZSXNBFNIRC-QBPKDAKJSA-N 301.430 3.766 0 40 DHAB CSC1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 130077627 RBZPUAQPNVQIKY-NEPJUHHUSA-N 311.413 3.609 0 40 DHAB CCc1cnc(NC(=O)N[C@H]2CCCOc3ccccc32)s1 174218466 CLXBDFVBHJJDAO-ZDUSSCGKSA-N 317.414 3.741 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2Cl)c1 192303459 HBTQPRVPBRUHLO-UHFFFAOYSA-N 302.761 3.859 0 40 DHAB C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2CCCOC2)cs1 193743995 RFWNFMUGLMERKT-GHMZBOCLSA-N 312.435 3.623 0 40 DHAB CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 224853881 ZWWGGLVVMJCJJL-CYBMUJFWSA-N 316.401 3.588 0 40 DHAB CC[C@@H]1N=C(C2CC2)c2cccn2-c2cc3c(cc21)OCCO3 225375290 ZSEBSTQEICVHGQ-AWEZNQCLSA-N 308.381 3.912 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1cccc(C)c1C 225993911 DKTOSWOMGMIGLZ-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB C[C@H]1C[C@H]1c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 525713912 SLUCCVYBNVWXMQ-GZMMTYOYSA-N 300.358 3.914 0 40 DHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN1 953000174 DNVGBGJJZGVKIJ-OAQYLSRUSA-N 322.452 3.543 0 40 DHAB O=C(NC1c2ccccc2Oc2ccccc21)c1ccncc1 122005 IHCSGQFLWZJGPY-UHFFFAOYSA-N 302.333 3.707 0 40 DHAB Cc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C 209727 CMAZETMFTNOBHD-UHFFFAOYSA-N 314.410 3.507 0 40 DHAB O=S(=O)(NC1CCCCC1)c1cc(Cl)ccc1Cl 366497 YHZGWKIBDJJAQG-UHFFFAOYSA-N 308.230 3.604 0 40 DHAB Cc1cc(=O)n(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]1 431421 FUSPYQAJRKMOPY-UHFFFAOYSA-N 316.445 3.834 0 40 DHAB C[C@@H](C(=O)NC(C)(C)C)n1c(C(F)(F)F)nc2ccccc21 1399294 HSMPVDWSFNSZGA-VIFPVBQESA-N 313.323 3.531 0 40 DHAB CCOC(=O)C(C)(Cc1cccc2ccccc12)C(=O)OCC 1689911 BCYBXIIEYVHCLE-UHFFFAOYSA-N 314.381 3.515 0 40 DHAB O=C(Nc1ccc(F)cc1)c1cnc(Cl)nc1C(F)(F)F 2570226 VMPYLRWKKPLZGT-UHFFFAOYSA-N 319.645 3.540 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)s1 3384844 LLUXCGVBIYKECY-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)c(C)c1 3424808 XHKVVYSFOUQEIH-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB COCCSc1ccccc1C(=O)Nc1ccc(C)cc1 4704431 TZBKMJHANDOELJ-UHFFFAOYSA-N 301.411 3.986 0 40 DHAB CN(C1CCCCC1)S(=O)(=O)C1=Cc2ccccc2CC1 5256780 LNMXRNQNPGCPSV-UHFFFAOYSA-N 305.443 3.568 0 40 DHAB Cc1ccc(NC(=O)Oc2ccccc2)cc1N1CCCC1=O 5440813 PHVNQNSJJASKMZ-UHFFFAOYSA-N 310.353 3.733 0 40 DHAB Cc1ccc2nc(CSc3ccc(F)c(F)c3)cc(=O)n2c1 5565210 BVIZHKZJYDWSJQ-UHFFFAOYSA-N 318.348 3.573 0 40 DHAB COc1ccc(F)cc1COC(=O)Cc1c[nH]c2ccccc12 6383987 WJJIZNGGISVXIW-UHFFFAOYSA-N 313.328 3.602 0 40 DHAB Cc1ccc(CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1 6811397 UENLTAPYZHXGCV-UHFFFAOYSA-N 321.376 3.648 0 40 DHAB Cn1cc(C(=O)OCCOc2ccccc2F)c2ccccc21 7702395 FFILIQXSIJGFCB-UHFFFAOYSA-N 313.328 3.553 0 40 DHAB Cc1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1C 7914980 ARFPRWXLCJBJFD-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB Cc1[nH]c2ccc(C(=O)NCCc3ccccc3F)cc2c1C 7988421 CKGFYWAVEGKVEB-UHFFFAOYSA-N 310.372 3.896 0 40 DHAB CCc1n[nH]c(=S)n1NCc1ccc(Cl)c(Cl)c1 8339109 TXFPTBRBPVGFCZ-UHFFFAOYSA-N 303.218 3.554 0 40 DHAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 9155317 BERHNUFQSZUTKD-NSHDSACASA-N 319.307 3.573 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)c1ccccc1Br 9500893 XBBKZMJIYVSVSW-NSHDSACASA-N 322.202 3.793 0 40 DHAB CC(C)[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccccc1 10405692 JLVDEEFRPFTUEV-QGZVFWFLSA-N 308.385 3.687 0 40 DHAB CCCNC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 12144850 ZUHIPYWTEZBHMV-OAHLLOKOSA-N 302.418 3.922 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3cc(C)cc(C)c3)cc2c1 12493261 JFRWJLMCMLIPJP-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB Cc1nnc(SCC(=O)c2ccc(OC(C)C)cc2)s1 12859005 RIRJRKMNNWAMBQ-UHFFFAOYSA-N 308.428 3.609 0 40 DHAB C[C@H]1CCc2sc3ncn4c(-c5cccnc5)nnc4c3c2C1 13732621 ULEKHQUWMICTOR-JTQLQIEISA-N 321.409 3.526 0 40 DHAB O=C(O)Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 13813352 OOGQJVZQKWMCTQ-UHFFFAOYSA-N 320.801 3.776 0 40 DHAB CC(C)(C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13938974 SZAXKXPBHGQFHE-UHFFFAOYSA-N 316.637 3.724 0 40 DHAB NC(=O)c1ccccc1OCc1csc(-c2cccs2)n1 16616018 OEMDDXRBGBPZLT-UHFFFAOYSA-N 316.407 3.550 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(N)c1 19736502 XTNRXSKZDJFLRR-HNNXBMFYSA-N 304.777 3.718 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 23530211 HIFOIXBBFZNDJE-CABCVRRESA-N 313.397 3.648 0 40 DHAB CN(CCNC(=O)c1cccc2ccccc12)c1ccccc1 24241749 VAPUMXBLXHEJOP-UHFFFAOYSA-N 304.393 3.706 0 40 DHAB Cc1cc(CN(C)C(=O)c2cc(Cl)sc2Cl)no1 25137469 SCWNLNAVKRPRFO-UHFFFAOYSA-N 305.186 3.624 0 40 DHAB COCc1cccc(NC(=O)CSc2ccc(OC)cc2)c1 25335173 RFZKFKJFRSUENT-UHFFFAOYSA-N 317.410 3.572 0 40 DHAB C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc2c(c1)CCC2 27975593 RHWFTCSBNCYCKK-NSHDSACASA-N 317.335 3.860 0 40 DHAB CC(=O)c1sc(NC(=O)CCc2ccc(Cl)cc2)nc1C 28232829 RJMPAGGKRVWOBJ-UHFFFAOYSA-N 322.817 3.879 0 40 DHAB Cc1ccc2c(CC(=O)N3CCn4cccc4[C@H]3C)coc2c1 30265632 GWHMAPVCNVOAKS-CQSZACIVSA-N 308.381 3.689 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSC(C)(C)C 30866563 KNTDHYYVDJZLBQ-AWEZNQCLSA-N 313.438 3.631 0 40 DHAB C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccccc1 32931207 FYEHKMMURIQVFX-LBPRGKRZSA-N 320.795 3.734 0 40 DHAB COc1cccc(NC(=O)NCCOc2cc(C)cc(C)c2)c1 38901159 FGQJKIGOTJOJOM-UHFFFAOYSA-N 314.385 3.513 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@@H]1C 44848769 LOYOFANNNWETAC-UGSOOPFHSA-N 313.372 3.961 0 40 DHAB CCCN(CCc1ccccn1)C(=O)c1ccc(Cl)cc1 48356615 HIHMYMGYDZWLIM-UHFFFAOYSA-N 302.805 3.830 0 40 DHAB COc1cccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)c1 49467964 XAXUYWNHWPUEHG-UHFFFAOYSA-N 310.332 3.617 0 40 DHAB OC1=Nc2c(cnn2-c2ccccc2)[C@@H](c2cccnc2)SC1 49544800 VAQGORJRXZDFCQ-MRXNPFEDSA-N 322.393 3.692 0 40 DHAB CCOC1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 52442487 DRWMWDVSYONDMA-UHFFFAOYSA-N 317.351 3.629 0 40 DHAB CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 57315425 AAVNHHQXYQPJII-QGZVFWFLSA-N 317.820 3.660 0 40 DHAB Cc1cc(F)ccc1CN1CCC(NC(=O)OC(C)(C)C)CC1 67801008 FALFHFSGCYZAIG-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB c1ccc(SCc2ccc(CCN3CCOCC3)cc2)cc1 68606130 OFWKUXAXAFUNRZ-UHFFFAOYSA-N 313.466 3.854 0 40 DHAB CCN(C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72212813 PLBCKHXHEPGJCK-GOSISDBHSA-N 323.440 3.905 0 40 DHAB COc1ccccc1C(=O)Nc1cc(Cl)c(N)cc1Cl 72229456 IDGSPCFFXNTWMM-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)N(C)CCc1cccs1 80626961 NXEFJRDILSPOLA-UHFFFAOYSA-N 320.462 3.849 0 40 DHAB COc1ccccc1NC(=S)N[C@@H]1C[C@H]1c1cccc(F)c1 83982605 GXDBNFJWXGSQNJ-DZGCQCFKSA-N 316.401 3.677 0 40 DHAB C[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1nccs1 86394518 HTPDDXRUAUKENO-QWRGUYRKSA-N 305.403 3.732 0 40 DHAB Cc1nn(C)c(C)c1CNc1cccc(N2CCC(C)CC2)c1 95429260 OZQJLZILUDPIML-UHFFFAOYSA-N 312.461 3.885 0 40 DHAB Cc1cnc(CSc2nnc(C)n2[C@H]2CCC[C@H](C)C2)o1 95442199 IUUWVAKBCPLFRA-GWCFXTLKSA-N 306.435 3.926 0 40 DHAB CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@@H]3CC=CC[C@H]3C2)n1 95447215 ULVNSUXJPIOVAR-STQMWFEESA-N 323.387 3.515 0 40 DHAB Cc1nc(C2=C(O)CN(CCc3ccccc3)C2=N)sc1C 102729463 OSCXQTBGKDJOTN-UHFFFAOYSA-N 313.426 3.565 0 40 DHAB C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)OC(C)(C)C 113139060 XKSYUMRCBPYFNT-CABCVRRESA-N 304.434 3.516 0 40 DHAB O=C1S/C(=C/c2ccccn2)C(=O)N1c1cccc(Cl)c1 210200052 OAWHUIHHZUGYCY-UKTHLTGXSA-N 316.769 3.976 0 40 DHAB COc1cc(Br)c2[nH]c(-c3cccc(N)c3)nc2c1 216918047 FELXJRUZPNTRNZ-UHFFFAOYSA-N 318.174 3.583 0 40 DHAB CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCC 222755057 SXIMJCNAPNPLAX-INIZCTEOSA-N 318.461 3.510 0 40 DHAB Cc1cccc(OCCNC(=S)Nc2ccc(F)cc2)c1C 223972283 JOFLGCIYEVEWMG-UHFFFAOYSA-N 318.417 3.808 0 40 DHAB CCOc1cc2nn(-c3cccc4ccccc34)nc2cc1N 226264949 GAEHODQGMJWBSL-UHFFFAOYSA-N 304.353 3.555 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1 226311386 NNQCTHHYAKHVMV-UHFFFAOYSA-N 313.382 3.530 0 40 DHAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)CC(C)C 226352354 BKAWPLKOBHIJJV-UHFFFAOYSA-N 317.341 3.638 0 40 DHAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)c1 257316402 VFLHOMDNBXDKCC-OAIGWWADSA-N 302.414 3.570 0 40 DHAB Cc1nc(CN(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cs1 273521807 QCSRRYQAHSRCJZ-IAGOWNOFSA-N 320.433 3.943 0 40 DHAB C[C@@H](CN(C)Cc1ccc(C(=O)O)c(Cl)c1)c1nccs1 577381193 RTVJFVMJPVPRMQ-JTQLQIEISA-N 324.833 3.730 0 40 DHAB Nc1ccc(Br)c(-c2ccc(C(F)(F)F)cc2)n1 585672558 ZXLLGJOKFWOIHC-UHFFFAOYSA-N 317.108 4.112 0 40 DHAB CCC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 103530 MWAQTRQENQPVOM-UHFFFAOYSA-N 302.186 3.860 0 40 DHAB CCc1c2c(nn1-c1cc(Cl)ccc1OC)CCCC2=O 107075 ZTHQOAUOFARUBH-UHFFFAOYSA-N 304.777 3.616 0 40 DHAB Cc1ccc2nc(-c3ccc(O)cc3)c(NC[C@H]3CCCO3)n2c1 417323 CTFVPRIWFNUXDY-MRXNPFEDSA-N 323.396 3.606 0 40 DHAB Cc1nc(-c2ccc(NC(=O)c3ccc(F)cc3)c(C)c2)no1 1429815 BUISPYKEDMIXSA-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB CN(C)C[C@@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1 1641390 FDNLKUJUVDJABD-MRXNPFEDSA-N 303.789 3.532 0 40 DHAB CC(C)c1nc2oc3c(N4CCCC4)ncnc3c2c2c1CCC2 2355340 LCSSSFGSKODAKR-UHFFFAOYSA-N 322.412 3.983 0 40 DHAB CCCCn1c(CNC(=O)c2ccccc2)nc2ccccc21 2721256 MVFGDAUNJIHZCI-UHFFFAOYSA-N 307.397 3.766 0 40 DHAB CCCN(CCC)C[C@H](O)COc1ccc(C(C)(C)C)cc1 3164815 HOGOBLWZJBGFCX-KRWDZBQOSA-N 307.478 3.846 0 40 DHAB CCCC(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 4591552 CVEBFGQFPZSBLP-UHFFFAOYSA-N 314.776 3.813 0 40 DHAB CCOc1ccc(-c2nnc(NC(=O)C(CC)CC)s2)cc1 4694991 IUUPWZXQLISCPC-UHFFFAOYSA-N 319.430 3.979 0 40 DHAB CC(C)(C)c1ccc([C@H]2N=C(N)Nc3nc4ccccc4n32)cc1 5976799 ZEZSVLQRBBDXBN-INIZCTEOSA-N 319.412 3.621 0 40 DHAB O=c1c(SCc2ccccc2F)nccn1-c1ccccc1 6915164 VAHITVUQPWTHNT-UHFFFAOYSA-N 312.369 3.664 0 40 DHAB CC[C@@H](NC(=O)COc1cccc(C)c1)c1ccc(OC)cc1 7037355 TYHZPOICGHBHHY-GOSISDBHSA-N 313.397 3.650 0 40 DHAB CC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(C)cc1 7312591 NBRYQUNAFPXKDE-IBGZPJMESA-N 324.424 3.763 0 40 DHAB O=C(CNc1ccccc1F)Nc1ccc(Br)cc1 7972113 MPYDGQHLMFVONC-UHFFFAOYSA-N 323.165 3.639 0 40 DHAB O=C(OCc1cc2ccccc2[nH]c1=O)c1ccccc1Cl 8572931 GIIIDCOMLNXEIB-UHFFFAOYSA-N 313.740 3.539 0 40 DHAB CCOCc1c(C(=O)Nc2nc(C)cs2)oc2ccccc12 8734081 VSKGTIAWTIGWNC-UHFFFAOYSA-N 316.382 3.987 0 40 DHAB CC(C)[C@@H](Nc1ccc2nnnn2n1)c1ccc(C(C)(C)C)cc1 8772173 JWSBTTBGETXYBN-QGZVFWFLSA-N 324.432 3.626 0 40 DHAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCc2ccccc21 9051259 DIGGCWWIIRXFOJ-UHFFFAOYSA-N 310.441 3.975 0 40 DHAB Cc1cccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)n1 12115915 WEWHZCHSGBFKCM-UHFFFAOYSA-N 321.306 3.601 0 40 DHAB C[C@H]1CCc2c(sc3ncnc(NCC[C@H]4CCCO4)c23)C1 12878114 UMCCFAUDHUYWTE-NWDGAFQWSA-N 317.458 3.797 0 40 DHAB COc1ccc2nc(C(=O)NCCC3=CCCCC3)ccc2c1 12905509 BXMUONIYZFUBAQ-UHFFFAOYSA-N 310.397 3.864 0 40 DHAB Cc1ccc(-c2c(C(=O)N3CCOCC3)csc2C)cc1 13330713 QMWKORZQUCRSGX-UHFFFAOYSA-N 301.411 3.504 0 40 DHAB Cc1cc(O[C@@H](C)C(=O)N2CCC[C@H](C)C2)cc(C)c1Cl 13676117 XOUASRJDMGZXOV-FZMZJTMJSA-N 309.837 3.983 0 40 DHAB Cc1sc2ncnc(N3CCc4sccc4C3)c2c1C 14324456 YMXFZQVFOTYVCU-UHFFFAOYSA-N 301.440 3.932 0 40 DHAB CCCN(Cc1ccccc1)C(=O)NC(=S)c1ccccc1 15224349 WYVYYVUXVSTONV-UHFFFAOYSA-N 312.438 3.984 0 40 DHAB Cc1c(C(=O)O)oc2c1-c1nc3ccccc3nc1C(C)(C)C2 16778530 JSWTXIGIRKYGOV-UHFFFAOYSA-N 308.337 3.730 0 40 DHAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1 20481826 NNARCPAPQOINOK-ZDUSSCGKSA-N 321.467 3.756 0 40 DHAB Cc1cc(Oc2ccc(Cl)cc2Cl)nc(N(C)C#N)n1 27532513 MAZOVWZOHCLOAY-UHFFFAOYSA-N 309.156 3.801 0 40 DHAB O=C(Nc1ccccn1)c1ccccc1SC[C@@H]1CCCO1 27994414 ITNPPFXKHQIGPB-ZDUSSCGKSA-N 314.410 3.605 0 40 DHAB CC(=O)c1sc(NC(=O)Nc2ccccc2Cl)nc1C 28226061 LQBUKQDLEJCROU-UHFFFAOYSA-N 309.778 3.952 0 40 DHAB Nc1nc(-c2ccccc2)c(C(=O)NC2CCCCCC2)s1 31848519 MUCZCFUGKNCCAH-UHFFFAOYSA-N 315.442 3.845 0 40 DHAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cnc2ccccc2n1 32810803 WRIPPLRUEWGQPL-RRFJBIMHSA-N 309.413 3.719 0 40 DHAB Cc1ccc(F)cc1NC(=O)c1ccc(CN2CCCC2)cc1 32901676 ZOYHIKSQNUCXKG-UHFFFAOYSA-N 312.388 3.982 0 40 DHAB CCC[C@@H](C(=O)Nc1ccc(NC(N)=O)cc1)c1ccccc1 32901836 HCZOXEIYMOUUKT-MRXNPFEDSA-N 311.385 3.700 0 40 DHAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)cc1 38756800 BAMAVMHUYBJTFB-UHFFFAOYSA-N 323.845 3.610 0 40 DHAB O=C(c1cnc2ccccc2n1)N1CCCCc2ccccc21 40133910 RQOBYTGGJARWRS-UHFFFAOYSA-N 303.365 3.613 0 40 DHAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)C3CCC3)cc2)C1 48310576 QQEHWZNRRHTHJN-HOTGVXAUSA-N 314.473 3.581 0 40 DHAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc(Cl)cc1F 49548426 LDLJMEJLHROZSI-GFCCVEGCSA-N 311.769 3.637 0 40 DHAB C[C@H](c1ccc2ccccc2c1)N1CCC(C(=O)NC2CC2)CC1 56511458 VFPLOZCHNHLBEU-OAHLLOKOSA-N 322.452 3.891 0 40 DHAB COc1cc(N)c2nc(Nc3nc4ccccc4o3)sc2c1 57352547 XCNNSAOHDWFHAT-UHFFFAOYSA-N 312.354 3.772 0 40 DHAB CN(C)c1cccc(C(=O)Nc2ccc(-c3csnn3)cc2)c1 57358154 LBTNWLJMQACLCU-UHFFFAOYSA-N 324.409 3.523 0 40 DHAB CC1CCN(CCc2ccc3c(Cl)ccc(O)c3n2)CC1 59474703 JWWQEQLKBHBSDX-UHFFFAOYSA-N 304.821 3.868 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)n1Cc1cccs1 60968737 SZFOLHBYWFUMHD-LBPRGKRZSA-N 302.443 3.743 0 40 DHAB Cc1cc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)n(C)n1 67033204 QHGAYKSAPZFODW-INIZCTEOSA-N 312.417 3.530 0 40 DHAB CCc1nnc([C@@H](C)N(C)Cc2ccc(SC)c(OC)c2)o1 69979164 PDWJQRPNTNSACX-LLVKDONJSA-N 321.446 3.556 0 40 DHAB CCC[C@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 73269793 RWXXNIBQYXRWNN-LBPRGKRZSA-N 304.365 3.718 0 40 DHAB Nc1nnc(SCCCOc2cccc3ccccc23)s1 79815817 YVAISHNEEOGPII-UHFFFAOYSA-N 317.439 3.835 0 40 DHAB COc1ccc(-c2nc(C)c([C@@H](C)N[C@@H]3CCOC3)s2)cc1 89724325 WCDVKXCCBYYWGA-BXUZGUMPSA-N 318.442 3.567 0 40 DHAB O=C(CN(C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1)N1CCC1 89818292 YRVDDIDNXVPRNZ-RBUKOAKNSA-N 318.505 3.822 0 40 DHAB COc1cc(C(=O)OC2(C3CC3)CC2)sc1Br 95976218 IBOLXNGOZXSOAR-UHFFFAOYSA-N 317.204 3.619 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1F 96659568 AYWUQVDGKDYSGE-UHFFFAOYSA-N 323.389 3.722 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 104127694 CDJULOUFQRQBCR-QRTARXTBSA-N 314.429 3.543 0 40 DHAB CN(C)c1ccc(-c2nc3ncccc3o2)cc1Br 216880147 RVZZOLSHJVVZHU-UHFFFAOYSA-N 318.174 3.718 0 40 DHAB COC(=O)/C=C/c1ccc(OC)c(OCc2cccc(F)c2)c1 216898473 AQFZERBRWQDLBO-VQHVLOKHSA-N 316.328 3.600 0 40 DHAB COc1ccc(C)cc1NC(=O)Cc1ccc(Cl)cc1F 224042122 GQGIRPNFVHLFEG-UHFFFAOYSA-N 307.752 3.977 0 40 DHAB COc1cccc(O[C@H](Cc2c(C)cc(C)cc2C)C(=O)O)c1 225136803 AROHXZIFISLORX-GOSISDBHSA-N 314.381 3.695 0 40 DHAB Nc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1 226267029 WJPIRJBUNRRSCZ-UHFFFAOYSA-N 315.804 3.775 0 40 DHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 248380753 RCEYFYWIRNYBBS-OAOQPFQOSA-N 309.409 3.912 0 40 DHAB Cc1ccsc1C(=O)N1CCC(C)(c2nccs2)CC1 257309332 UANPEMCMXDZJRS-UHFFFAOYSA-N 306.456 3.707 0 40 DHAB FC(F)(F)c1cccc(CN2CCC[C@@H]2c2cnccn2)c1 257311684 UKPRTRRWMZZQJM-OAHLLOKOSA-N 307.319 3.833 0 40 DHAB Cn1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)cn1 575410723 CHFCTMPBKHIQNO-UHOFOFEASA-N 303.793 3.708 0 40 DHAB O=C(O)[C@@H](NCc1cnc(C2CC2)s1)c1cccc(Cl)c1 578979753 VRNVGZWDTZSYBX-ZDUSSCGKSA-N 322.817 3.589 0 40 DHAB O=C(NCc1cccc(-c2cnco2)c1)C1(C(F)F)CCCC1 585127043 OUAJFMIEBBLNSG-UHFFFAOYSA-N 320.339 3.783 0 40 DHAB CC(C)N1CCC(N2CCC3(CC2)CCC(C)(C)OC3)CC1 1615153731 ASIZKOUGVGDKFR-UHFFFAOYSA-N 308.510 3.530 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(OC)cc2[nH]1 1775995716 FRVZSOUNYOGSJJ-GASCZTMLSA-N 310.397 3.890 0 40 DHAB Cc1cn(C)c([C@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)n1 1848352207 HPEMOSDPYCXLHH-KRWDZBQOSA-N 308.429 3.589 0 40 DHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(C2CC2)ncn1 1888866563 ODLXROXQXXWSNG-UHFFFAOYSA-N 308.168 3.913 0 40 DHAB S=C(Nc1ccccc1)N1CCCn2c1nc1ccccc12 289503 KZHICQSHIDGALE-UHFFFAOYSA-N 308.410 3.643 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2 514105 WTMFAUZCIUWTON-UHFFFAOYSA-N 303.745 3.672 0 40 DHAB CCC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 1274535 PXNJYLKQVKVCLZ-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB Cc1nc(NC2CCCCC2)ncc1C(=O)NC1CCCCC1 1390154 JBZDKHHBOBHCSC-UHFFFAOYSA-N 316.449 3.592 0 40 DHAB CC(=O)[C@]1(C)SC(N(c2ccccc2)c2ccccc2)=NC1=O 1720030 HABUFTVZGXMKSZ-SFHVURJKSA-N 324.405 3.802 0 40 DHAB COc1ccc(NC(=O)CSCCCc2ccccc2)cc1 1944891 PXBNVHXCRRTLLT-UHFFFAOYSA-N 315.438 4.000 0 40 DHAB CC(C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21 2721282 SMHIWFPTLXRTHC-UHFFFAOYSA-N 307.397 3.622 0 40 DHAB CCCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 4028615 BVBAULRKXUPBJA-MPZAXGONSA-N 305.462 3.690 0 40 DHAB biogenic CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(C)cc1 4909964 MFCJLLURRMXQPZ-GOSISDBHSA-N 321.380 3.933 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H]2CCCC[C@@H]2C1 5866645 XJDMALUZDHQWRU-CHWSQXEVSA-N 313.850 3.541 0 40 DHAB Cc1cccc(N(Cc2ccccc2)C(=O)c2cnc(C)cn2)c1 8339390 ATECPIVVKNQORZ-UHFFFAOYSA-N 317.392 3.940 0 40 DHAB O=C(Nc1ccncc1)c1cccc(NC(=O)c2cccs2)c1 8727298 VIHZPOZESGVMSG-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB Cc1noc(C)c1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 8744744 YZJXXQSLCIJLIT-UHFFFAOYSA-N 324.384 3.620 0 40 DHAB CCC(C)(C)OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 8844687 IXYUNDAZYDSULU-IBGZPJMESA-N 319.489 3.507 0 40 DHAB CCCOc1ccccc1NC(=O)c1cccc(NC(C)=O)c1 9455747 GZSVCCZQNZAZSX-UHFFFAOYSA-N 312.369 3.686 0 40 DHAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(F)c1 10995152 FAMCXBAVDQCZMP-UHFFFAOYSA-N 309.340 3.788 0 40 DHAB C[C@H]1CN(c2nc(-c3ccsc3)nc3ccccc23)CCO1 12899025 QBGZOUCGRDFLDS-LBPRGKRZSA-N 311.410 3.583 0 40 DHAB Cc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1C 13496870 GOLPSKYPFAGMFT-UHFFFAOYSA-N 319.368 3.637 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(C)=O)c1 14022520 UKEVXDJGUKGYDM-GOSISDBHSA-N 311.381 3.994 0 40 DHAB CSc1nc2ccc(NC(=O)c3ccc(C)nc3)cc2s1 14246888 DXLOHNMIBCMCSA-UHFFFAOYSA-N 315.423 3.974 0 40 DHAB O=C(NCc1csc(-c2ccccc2)n1)c1cccs1 15832334 PTVQOZMTYWJBCA-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB c1ccc([C@H]2CCN(Cc3ccccn3)[C@@H]3CCCCN[C@H]23)cc1 19373896 LPJGERFGODNKHV-NJDAHSKKSA-N 321.468 3.582 0 40 DHAB CCc1ccccc1NS(=O)(=O)c1cc(C)c(OC)cc1C 19943679 LQFRYFGDKCUCRL-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB COc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 20891040 CBTGGYKEIBCWQV-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB C[C@H]1CN([C@@H](C)c2nc3ccccc3n2C(F)F)C[C@@H](C)O1 23016455 WBWROZJWISAZMY-TUAOUCFPSA-N 309.360 3.602 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2ccoc2C)cc1OC 23386162 QKHARHMQTLAFRO-OAHLLOKOSA-N 315.369 3.583 0 40 DHAB C[C@H](NC(=O)CSCc1ccccc1F)c1ccccc1 24064856 NDJFDHADUXXMNN-ZDUSSCGKSA-N 303.402 3.936 0 40 DHAB CC(=O)Nc1nc(CN2CCC[C@@H]2c2cccs2)cs1 24821971 OXECJHOSDPOBBM-GFCCVEGCSA-N 307.444 3.500 0 40 DHAB CC(C)[C@H](NC(=O)CN(C)Cc1ccccc1)c1cccs1 24971324 RVYMGEOUYFVPOI-SFHVURJKSA-N 316.470 3.693 0 40 DHAB Cc1ccc(Cn2cc(NC(=O)/C=C/c3ccccc3)cn2)cc1 27920165 SIIVYKPXIMCCEQ-VAWYXSNFSA-N 317.392 3.892 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1ccn(C2CCCC2)n1 28576630 ROCSDKXNYPDFDM-KRWDZBQOSA-N 309.413 3.806 0 40 DHAB COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1 32274606 XESTYUYENKNHHR-UHFFFAOYSA-N 320.388 3.988 0 40 DHAB in-vitro CC(C)(C)c1cn2nc(NCc3ccccc3F)sc2n1 40039757 ITJDCWHTDSNCIF-UHFFFAOYSA-N 304.394 3.840 0 40 DHAB Cc1cccc(CNC(=O)CCSCc2csc(C)n2)c1 40072273 VQSRAONOBHLKJT-UHFFFAOYSA-N 320.483 3.700 0 40 DHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccs1 40108472 NWZVUVKYSFMLPD-JTQLQIEISA-N 324.243 3.872 0 40 DHAB CC[C@H](C)c1noc([C@@H]2CCCCN2C(=O)c2ccco2)n1 41123373 BQSARCMYWLPKSI-RYUDHWBXSA-N 303.362 3.544 0 40 DHAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 42850570 CNJGBJAHYIHHNP-WCQYABFASA-N 303.299 3.606 0 40 DHAB CC(=O)Oc1ccc(C(=O)c2ccccc2C(F)(F)F)cc1 43209911 SCUYJLLCQZKTQA-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB COc1cc(Br)c2oc(-c3ccc(N)cc3)nc2c1 45920208 NIYICIAAPWBLQT-UHFFFAOYSA-N 319.158 3.848 0 40 DHAB CCCNC(=O)c1cccc(CNCc2ccc(C)cc2C)c1 47794111 SRHPJNFEMSAPON-UHFFFAOYSA-N 310.441 3.733 0 40 DHAB CSc1nccn1-c1ccc(C(=O)Nc2cc(C)ccn2)cc1 48227037 HIHJJTQRGIFAGJ-UHFFFAOYSA-N 324.409 3.550 0 40 DHAB CC(C)COCCCNC(=O)Cc1ccc(Cl)c(Cl)c1 48374173 CKYLTISQUJTDTL-UHFFFAOYSA-N 318.244 3.715 0 40 DHAB COC1CCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 48374710 YTJJOCAUTQXESB-LLVKDONJSA-N 321.808 3.562 0 40 DHAB Cc1cc(C)n(CCCNC(=O)c2occc2-c2ccccc2)n1 58159816 IVPWZAKCIFZDGH-UHFFFAOYSA-N 323.396 3.580 0 40 DHAB COc1cccnc1NC(=O)c1cc(F)c(Cl)cc1Cl 58323700 JVRRKJXOCGPXGC-UHFFFAOYSA-N 315.131 3.788 0 40 DHAB COc1cccc2c1ccn2CC(=O)Nc1cccc2[nH]ccc12 70666399 UPWDKIQMMBMBLA-UHFFFAOYSA-N 319.364 3.770 0 40 DHAB biogenic C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnc(Cc2ccccc2)o1 71911978 JMYNPIRIZRDSJX-PVAVHDDUSA-N 311.429 3.813 0 40 DHAB COc1cccc(CNC(=O)c2ccc(-c3ccco3)cc2)c1 72243318 YEIGNSOFEMAWRP-UHFFFAOYSA-N 307.349 3.885 0 40 DHAB C[C@H]1CCCCN1C(=O)NCCCc1nc2ccccc2s1 72483979 PZUCUQAJGUHUTE-ZDUSSCGKSA-N 317.458 3.813 0 40 DHAB CCCCc1ccc(-n2ncc3c(O)[nH]c(=S)nc32)cc1 85398003 UAOHEJCUJUDBQT-UHFFFAOYSA-N 300.387 3.526 0 40 DHAB CCc1noc(CC)c1Cc1nc(-c2ccc(C)c(F)c2)no1 88335724 AWZONQDEPLAJNZ-UHFFFAOYSA-N 315.348 3.888 0 40 DHAB COCc1nccc([C@H]2CCCN(C/C=C/c3ccccc3)C2)n1 89420446 POVQZOQGNCVNIO-YXOJNZSOSA-N 323.440 3.516 0 40 DHAB Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(-n3cncn3)cc1)CC2 95419442 FTSVKBAMOFXCJD-YWZLYKJASA-N 318.424 3.914 0 40 DHAB Cc1cc(O)ccc1NC(=O)Nc1cncc(Br)c1 97104832 BUQPNYHDLQZEMW-UHFFFAOYSA-N 322.162 3.502 0 40 DHAB COc1cc(N[C@@H](C)c2cnc(C)nc2C)c(OC)cc1Cl 97232365 RFXAMJSYPCIGCD-JTQLQIEISA-N 321.808 3.937 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)NCCc1ccc(F)cc1 224433799 CXLMTMMUGKOYGF-KRWDZBQOSA-N 315.388 3.650 0 40 DHAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 224667960 NZJMDMJFDMRTRF-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB CCCCn1cc(Br)c(COCC(F)(F)F)n1 408716718 QENPZIMTEGFCBA-UHFFFAOYSA-N 315.133 3.525 0 40 DHAB CC(C)[C@H](c1ccccc1)N(C(=O)Cc1ccnn1C)C(C)C 585126322 WOTOXOWNEJMXSQ-LJQANCHMSA-N 313.445 3.597 0 40 DHAB Cc1cc(=O)cc(O)n1CC[C@@H](Cc1ccccc1)c1ccco1 1547206002 XZHNQDQHINKUJW-KRWDZBQOSA-N 323.392 3.872 0 40 DHAB COc1ccccc1CNc1ncnc2c1[nH]c1ccccc12 542297 MHLHOWIVGHXSBV-UHFFFAOYSA-N 304.353 3.732 0 40 DHAB CSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C 1391462 RMTRVIWTMILIDO-UHFFFAOYSA-N 302.428 3.636 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)c2c(C)cc(C)nc2Cl)c1 1401772 YOMXBESLACKFGY-UHFFFAOYSA-N 309.818 3.801 0 40 DHAB C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1456778 VNTNOLGODDWLEJ-PBHICJAKSA-N 320.864 3.677 0 40 DHAB Cc1cc(C)nc(NCn2c(=S)sc3ccccc32)n1 1463174 LGMNBFJAXZQULP-UHFFFAOYSA-N 302.428 3.909 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)cc1 3039922 JGEAHIGDRQVCGF-AWNIVKPZSA-N 322.408 3.947 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)C2CCCC2)cc1 3238689 SWJOOBQHGDBMDP-CYBMUJFWSA-N 303.402 3.872 0 40 DHAB CC[C@H](C(=O)OCC(=O)Nc1cccc(C)c1)c1ccccc1 3446610 JXZJXKWEXYIUJY-KRWDZBQOSA-N 311.381 3.671 0 40 DHAB CC(C)(C)NC(=S)SCCOC(=O)Nc1ccccc1 6357291 WKFWFQWSFYXMTM-UHFFFAOYSA-N 312.460 3.641 0 40 DHAB CCc1nonc1NC(=O)c1oc2cc(C)c(Cl)cc2c1C 6743423 MZMQVYTTXJRZFE-UHFFFAOYSA-N 319.748 3.901 0 40 DHAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cccc(C)c2)C1=O 6784566 BYGXOPAZHQAZAV-HXUWFJFHSA-N 322.408 3.742 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)OCc2ccccc2)cc1 7986060 OAAMJNGGBMDPTR-UHFFFAOYSA-N 312.365 3.792 0 40 DHAB Cc1csc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)n1 8071828 JEPAKERBZKEZCB-UHFFFAOYSA-N 324.409 3.767 0 40 DHAB CC(C)OC(=O)c1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1 8729554 GWNLKHPTWMUIGB-CSKARUKUSA-N 300.310 3.610 0 40 DHAB C[C@H](N1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 9225240 ZHJVEZUFXRDFLB-PGBBXINNSA-N 309.409 3.888 0 40 DHAB COc1ccc(/C=C/c2nnc(NC(=O)CC(C)C)s2)cc1 9350092 IODPLZDBVWGZQQ-RMKNXTFCSA-N 317.414 3.702 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)c(C)c1 9992114 LIULCQYOUJNQHT-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCCCC2)cc1 10371652 MMZKXUHMCCLEBY-UHOSZYNNSA-N 312.457 3.591 0 40 DHAB CCCCC(=O)Nc1nonc1-c1ccc(Br)cc1 11916356 URJUOAYSZUCZRC-UHFFFAOYSA-N 324.178 3.628 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 12621020 RHFIPMLQVSEBRB-UHFFFAOYSA-N 304.390 3.660 0 40 DHAB Cc1nc(-c2ccc(CCNC(=O)C3CCCC3)cc2)cs1 14198153 LYBCJXNHNOXCJS-UHFFFAOYSA-N 314.454 3.967 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)cc(C)c2)c1 14250232 YSTIFNPYLBQYDR-CQSZACIVSA-N 313.397 3.812 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 14737984 KVILFADKFUXQBD-SJORKVTESA-N 311.425 3.900 0 40 DHAB C[C@H]1NC(=S)N(c2ccc(-c3cc4ccccc4o3)cc2)C1=O 15569984 PVEONCQFHFZNPN-LLVKDONJSA-N 322.389 3.709 0 40 DHAB Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccccc1Cl 19736310 VCDAWJJTYYMRON-NSHDSACASA-N 304.777 3.637 0 40 DHAB CN1CCN([C@@H]2Cc3ccccc3Sc3ccccc32)CC1 19801865 MYFNXITXHNLSJY-QGZVFWFLSA-N 310.466 3.682 0 40 DHAB CCCCNc1ncnc2sc3c(c12)CCN(CCC)C3 20547219 HVSWJMBSSJJWTD-UHFFFAOYSA-N 304.463 3.671 0 40 DHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(N(C)C)c1 21836796 LIVRPTLAXAFXPW-CYBMUJFWSA-N 300.377 3.725 0 40 DHAB CCN1CCCc2cc(CCNC(=O)C3CCCCC3)ccc21 22732590 XXRPPVNYHRHSTE-UHFFFAOYSA-N 314.473 3.698 0 40 DHAB COc1ccccc1C(=O)Nc1cccc(Oc2ncccn2)c1 32027851 MTFQJDLNQIVNBM-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCCCCC1 32716532 UGFUPHCVXZTCGW-UHFFFAOYSA-N 303.793 3.746 0 40 DHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cc2ccccc2o1 32768707 DRDDIPIERAKJBZ-KZULUSFZSA-N 307.349 3.614 0 40 DHAB COc1ccc(NC(=O)Cc2cccs2)cc1OC(F)F 32905590 RCKVGEYMBJZXSJ-UHFFFAOYSA-N 313.325 3.539 0 40 DHAB CCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1OC 32975218 XWIQKNBYGSZDCD-ZDUSSCGKSA-N 311.381 3.685 0 40 DHAB O=C(Nc1cccc(Cl)c1F)[C@H]1CC(c2ccccc2)=NO1 33155730 SZHKCLPPIFYHDN-CQSZACIVSA-N 318.735 3.611 0 40 DHAB C[C@H](Cc1cccs1)NC(=O)c1cc(-c2ccccc2)on1 33205402 INNQVVOEAYJNBV-GFCCVEGCSA-N 312.394 3.764 0 40 DHAB CN(C[C@H](O)c1ccccc1Cl)[C@@H]1CCc2ccccc21 40105814 FJEXHQGYPHSXAD-MSOLQXFVSA-N 301.817 3.993 0 40 DHAB O=C(NCCSC(F)(F)F)c1cccc(Cl)c1Cl 40119028 NCXMLEMXMBXSMG-UHFFFAOYSA-N 318.147 3.976 0 40 DHAB COc1ccc(C2=CCN(C(=O)c3cccc(OC)c3)CC2)cc1 40119679 FVQFESNQPSEICH-UHFFFAOYSA-N 323.392 3.633 0 40 DHAB COc1cccc(NC(=O)CSC[C@@H]2CC2(Cl)Cl)c1 40497395 MVGCMSPCIYUQLY-VIFPVBQESA-N 320.241 3.561 0 40 DHAB CC[C@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 40525124 LOEKEJXTRXVMBM-LSDHHAIUSA-N 312.413 3.884 0 40 DHAB COc1ccc(C)cc1NC(=O)N(Cc1ccccn1)C1CC1 43279814 ZIPBZSLQFFICEP-UHFFFAOYSA-N 311.385 3.595 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1 47946252 RNQZGMXLNYLUSH-UHFFFAOYSA-N 305.378 3.709 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc(-c2cccs2)[nH]n1 51315665 VNEOVEBDXMVDCP-UHFFFAOYSA-N 313.382 3.708 0 40 DHAB CC(C)(C)c1nc(CN2CCC[C@H]2CCc2ccccc2)no1 52106117 HNRVVLJGEPRWRH-INIZCTEOSA-N 313.445 3.964 0 40 DHAB Cc1ccc([C@H](C)NC(=O)C2CCN(CC(C)C)CC2)s1 57360926 WVQSTNACBAWGLI-AWEZNQCLSA-N 308.491 3.602 0 40 DHAB COCc1c(C(=O)N(C)[C@H](C)c2ccncc2)oc2ccccc12 58218385 NIUDFZJTDGCHCU-CYBMUJFWSA-N 324.380 3.807 0 40 DHAB COc1ccccc1-c1nnc(CNc2cc(C)ccc2C)o1 62650454 XFSNVPFCCLKUHP-UHFFFAOYSA-N 309.369 3.974 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)cc1 64476759 NVVFOHOSZZVRAH-UHFFFAOYSA-N 321.467 3.850 0 40 DHAB CCn1nc(C)c(C(=O)N[C@H](C)c2cc3ccccc3o2)c1C 65626951 BMKQMCBRXBIHLW-LLVKDONJSA-N 311.385 3.757 0 40 DHAB Cc1nc([C@H](C)NC(=O)NCCCc2cccc(F)c2)cs1 69113671 YNLLXQLRJUOAJX-NSHDSACASA-N 321.421 3.584 0 40 DHAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)[C@@H]1CCOC1 69359374 LRMRDCGUICAIHV-LLVKDONJSA-N 318.760 3.502 0 40 DHAB Cc1csc([C@@H](NC(=O)/C=C/c2cccs2)C2CC2)n1 72296771 JNBFTTIEPUBSMV-UZYOAWRESA-N 304.440 3.794 0 40 DHAB COc1cc(-c2nc3cc(Cl)cnc3o2)cc(OC)c1OC 78407022 PTPRITUKBTYHPR-UHFFFAOYSA-N 320.732 3.569 0 40 DHAB FC(F)Cn1ccc(NCc2cc(Br)cs2)n1 79108784 NMCOLFTXULLESQ-UHFFFAOYSA-N 322.178 3.584 0 40 DHAB CCOc1cc(Cl)ccc1NC(=O)Cc1csc(CC)n1 89289918 LEBBOFKBCNXQMI-UHFFFAOYSA-N 324.833 3.939 0 40 DHAB Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nnc(C3CC3)s2)s1 89656446 BUTJRPHMCHOHGY-VHSXEESVSA-N 305.428 3.528 0 40 DHAB Cc1ccc(CNCc2scnc2C)c(Br)c1 95435693 MTEQMVUEFLNQFF-UHFFFAOYSA-N 311.248 3.812 0 40 DHAB COc1ccc([C@H](OC)[C@H](C)NCc2ccccc2OC)cc1 95459060 ULAXSTQSVWGPCE-IFXJQAMLSA-N 315.413 3.570 0 40 DHAB O=C(Nc1ccc(F)c(F)c1)N1CCC(Cl)=C(Cl)C1 95467005 MRKWIEJOEKKQSK-UHFFFAOYSA-N 307.127 3.892 0 40 DHAB CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1C(F)(F)F 95917967 HAVGXTCGXGRERV-UHFFFAOYSA-N 304.190 3.704 0 40 DHAB CC(C)C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccccn1 95968343 KBCQHUNGCXEDIW-IAGOWNOFSA-N 304.459 3.728 0 40 DHAB CC[C@@H](C)Oc1cc(C)ccc1CN[C@H](C)c1cnn(C)c1 95969292 LDTQWKRPCJSWQI-HUUCEWRRSA-N 301.434 3.757 0 40 DHAB CC(C)n1cc(NC(=O)N(C)Cc2ccc(Cl)c(F)c2)cn1 95977712 YNSZFVAWASEAPY-UHFFFAOYSA-N 324.787 3.920 0 40 DHAB FC(F)(F)c1cccnc1CN[C@@H]1CCCC[C@@H]1n1cccn1 97034996 PSEFAMJHVCYWPT-HIFRSBDPSA-N 324.350 3.570 0 40 DHAB Cc1n[nH]c(N/C=C2\C(=O)Nc3ccccc32)c1-c1ccccc1 101712813 GPPWDWXLIRYXIJ-PTNGSMBKSA-N 316.364 3.790 0 40 DHAB c1ccc(Cc2noc(CN3CCC[C@H]4CCCC[C@H]43)n2)cc1 107332720 UXIXVELMXUZARP-IAGOWNOFSA-N 311.429 3.815 0 40 DHAB Cc1ccc(CNC(=O)COc2cccc3c2CCCC3)cc1 223855289 CIBLIFVOLGWBKY-UHFFFAOYSA-N 309.409 3.569 0 40 DHAB COc1ccc(CCC(=O)N2CCc3ccccc3C2)cc1C 224721953 VEKGAQXTDHZSCZ-UHFFFAOYSA-N 309.409 3.521 0 40 DHAB CCC[C@H](C)NC(=S)Nc1cc(C(=O)OC)ccc1Cl 225382687 NMKIJKCCDLWPGB-VIFPVBQESA-N 314.838 3.602 0 40 DHAB O=C(Cc1ccsc1)NCCc1ccc(-c2ccoc2)s1 390829863 HCYWUVLHDPLIKG-UHFFFAOYSA-N 317.435 3.971 0 40 DHAB O=C(CC1CCCC1)N1CCC(OCCc2ccccc2)CC1 390834170 TXPXFHRXGGLKOW-UHFFFAOYSA-N 315.457 3.817 0 40 DHAB CSc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1 409082209 RRBIVTZLZJIHIG-PTNGSMBKSA-N 316.426 3.634 0 40 DHAB O=C(Nc1nnc(-c2cccnc2)s1)c1ccccc1Cl 1264394 VCXLEBFPOHGNCN-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2cccs2)cc1 1292413 LDNZWAIQZGINNB-MRXNPFEDSA-N 309.394 3.838 0 40 DHAB COc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 1867081 FTBVLXGEBKGONM-UHFFFAOYSA-N 307.143 3.677 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN[C@@H](C)c1ccccc1 2694367 RKIYHUWPPCZGFT-FUHWJXTLSA-N 313.441 3.901 0 40 DHAB CCCC[C@H](CC)CNC(=O)/C=C/c1ccc2c(c1)OCO2 3069644 CSQYZXMRPQHNCD-PLWJUESGSA-N 303.402 3.761 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)Oc2cccc(Cl)c2)c1 3279846 OVMGICPPFDSDRM-RMKNXTFCSA-N 318.756 3.976 0 40 DHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 3409052 XFTKIJATRPWKBK-UHFFFAOYSA-N 306.724 3.690 0 40 DHAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 3446628 XHSNUFLUWZOVDZ-QGZVFWFLSA-N 311.381 3.671 0 40 DHAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1ccccc1 4315503 ZMYOGJBWWKIWEJ-UHFFFAOYSA-N 323.421 3.599 0 40 DHAB CC(C)c1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)cc1 6370973 RYEUBLZWSXOTIU-UHFFFAOYSA-N 322.364 3.726 0 40 DHAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](O)c1ccccc1 6852980 MMHHGWQXSWYUEY-IAQYHMDHSA-N 323.314 3.557 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(F)cc1F 7405589 HVWPYBNUHAQBLL-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB Cc1ccc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 7488555 FNNUWUGOCDBKAS-MDZDMXLPSA-N 308.406 3.952 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(C)c(C)c2)c1 8097667 CUPOJFPWVYAMRZ-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB COc1ccccc1NC(=O)Nc1ccccc1N1CCCC1 8429367 YLYYUFTTYZZYBW-UHFFFAOYSA-N 311.385 3.939 0 40 DHAB Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1 8715896 MBCAQANNPPTMTH-UHFFFAOYSA-N 316.817 3.713 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1cccc2cccnc12 9609051 IWHPWPRPMWHVGM-CYBMUJFWSA-N 306.365 3.734 0 40 DHAB C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc2c(c1)OCO2 10203831 JCPVSVLLMHREGQ-JTQLQIEISA-N 316.382 3.628 0 40 DHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccsc1 11181954 RFAWLNYDJSYDHR-UHFFFAOYSA-N 312.350 3.846 0 40 DHAB O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 11899789 OMZWCRLUURSYOH-UHFFFAOYSA-N 305.299 3.566 0 40 DHAB Cc1ccc(CN(C)[C@@H](C)C(=O)NCc2cccs2)c(C)c1 12856311 IIPYIYKTVOUPSA-HNNXBMFYSA-N 316.470 3.502 0 40 DHAB COC(=O)c1ccc(CN(C)[C@@H]2CCCc3ccccc32)cc1 15261611 FBZFVQZLSYXZMR-LJQANCHMSA-N 309.409 3.983 0 40 DHAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 15388869 ILXWXBAHLYRKTR-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB CCCCN[C@@H]1C(C)=C(C)C(=O)N1[C@H](C)CCc1ccccc1 20058092 SSBLOYDKKYDGAY-BEFAXECRSA-N 314.473 3.902 0 40 DHAB CC(C)c1n[nH]c(SCc2csc(-c3ccco3)n2)n1 22518258 FEXAJJASCDFUNG-UHFFFAOYSA-N 306.416 3.937 0 40 DHAB Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cn1 22837298 CVHJWSVGCWPMRE-LBPRGKRZSA-N 311.410 3.833 0 40 DHAB COc1ccc(Cl)cc1CC(=O)Nc1ccc(Cl)cn1 26861051 RLVZNNPCKBKAKU-UHFFFAOYSA-N 311.168 3.578 0 40 DHAB Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCOC3)cc1 27788636 SJDMVMCWWVYTRJ-UHFFFAOYSA-N 311.792 3.615 0 40 DHAB CC(C)c1noc(CCC(=O)Nc2ccc(F)c(Cl)c2)n1 31482696 YKMLRMNYMYDMGN-UHFFFAOYSA-N 311.744 3.557 0 40 DHAB Cc1cc(C)cc(NC(=S)NCCCN2CCC[C@H](C)C2)c1 44080844 GBNCMPMAVAXBOY-AWEZNQCLSA-N 319.518 3.712 0 40 DHAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1 54583589 XEXKQQSFZPIIMF-ABAIWWIYSA-N 322.330 3.583 0 40 DHAB S=C(Nc1ccccc1)N1CCN(/C=C/c2ccccc2)CC1 57453781 PUBZXXACFPSKDF-VAWYXSNFSA-N 323.465 3.672 0 40 DHAB Cc1ccccc1CSCC(=O)NCCc1ccc(F)cc1 58172196 XUFVYMWOARUDGD-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB CCCC(C)(C)NC(=O)c1sc(-c2ccccn2)nc1C 65042022 BYWNPBXMGKRUJV-UHFFFAOYSA-N 303.431 3.822 0 40 DHAB COc1ccccc1/C(C)=C/C(=O)N(C)[C@H](C)c1cccnc1 66353227 HVUURXHYCOOGLZ-OKFGHLOFSA-N 310.397 3.713 0 40 DHAB c1ccn(C2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)c1 69528358 LMSOEJJHXQUAQK-UHFFFAOYSA-N 306.413 3.511 0 40 DHAB COCCCCC(=O)Nc1ccc(F)cc1OCC(F)(F)F 70867726 MGFNLQWKQFAJLO-UHFFFAOYSA-N 323.286 3.522 0 40 DHAB Cc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)c1 72227447 MEWOSRODEJHKIA-GJZGRUSLSA-N 321.207 3.717 0 40 DHAB Nc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 72229744 UHSBGDXDJGKFEN-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB CCOC(=O)c1cc(N)cc2nc(-c3cccc(Cl)c3)oc12 73641925 QASQNISFVPQWOE-UHFFFAOYSA-N 316.744 3.907 0 40 DHAB CC(=O)Nc1ccc(C)c(NCc2nnc(-c3ccccc3)o2)c1 75110273 IDWKIVSFCDHJLB-UHFFFAOYSA-N 322.368 3.616 0 40 DHAB CSC[C@@H](C)NC(=O)N(C)CCc1cccc2ccccc12 77801067 YFTZRMKSKJKEIA-CQSZACIVSA-N 316.470 3.775 0 40 DHAB CC(C)Cc1noc(CNc2ccc(OC(F)(F)F)cc2)n1 79156953 NFLVFGMFZHVRNE-UHFFFAOYSA-N 315.295 3.779 0 40 DHAB O=C(c1cccnc1S)N1CCCC2(CCCCCC2)C1 81305224 XHHOFXSKEXQPCP-UHFFFAOYSA-N 304.459 3.947 0 40 DHAB CCc1nc(CNC(=O)Nc2nc3ccsc3s2)cs1 83830326 OPLQZFMNOXCUMN-UHFFFAOYSA-N 324.456 3.698 0 40 DHAB Cc1noc2ncc(C(=O)NCC3CCCCCCC3)cc12 84067913 IISRMZYBZGEASC-UHFFFAOYSA-N 301.390 3.622 0 40 DHAB C[C@@H](CNC(=O)[C@H]1CC=CCC1)c1nc2ccccc2s1 84638298 DNRBXPNUZGKPFZ-STQMWFEESA-N 300.427 3.872 0 40 DHAB CC(C)C1CCC(Nc2ccccc2CC(=O)N(C)C)CC1 92157245 NWFJLESYCWOLSQ-UHFFFAOYSA-N 302.462 3.944 0 40 DHAB O=C(Nc1ccccc1F)[C@@H]1CCCCN1Cc1ccccc1 95402658 IIZGMIBVNHPBFI-SFHVURJKSA-N 312.388 3.819 0 40 DHAB Cc1ccc([C@@H](O)CN[C@@H](c2ccccc2)c2ccccn2)cc1 95405110 AVBKAYDJQCFQQT-SFTDATJTSA-N 318.420 3.803 0 40 DHAB Cc1nc(-c2ccccc2)sc1Cn1c(Cl)cccc1=O 95412839 NPGDHKOYPYFWQN-UHFFFAOYSA-N 316.813 3.982 0 40 DHAB C[C@@H](CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 95422764 FKNJFNMAMVAERV-STQMWFEESA-N 323.483 3.606 0 40 DHAB CC(=O)c1ccccc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 95427749 JRFVPPSPZCAGHS-QGZVFWFLSA-N 322.408 3.606 0 40 DHAB Cc1cccc(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1 95990497 NGLZCBPMIUBSKM-ZDUSSCGKSA-N 310.401 3.847 0 40 DHAB O=c1ccn(Cc2cc(F)cc3cccnc23)c2ccccc12 96411870 UOGWLHJZUZWXET-UHFFFAOYSA-N 304.324 3.737 0 40 DHAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2Cc2ccccn2)c1 100112181 YBKLQPLDFPGHIL-WRWLIDTKSA-N 324.424 3.522 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 100559725 WHRHSPJKHGPVCS-LBLXLQPISA-N 322.191 3.695 0 40 DHAB Cc1cccc([C@H]2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)c1 102702482 HZGYCHCOODOBOG-GOSISDBHSA-N 317.396 3.654 0 40 DHAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 150938795 PCVCXBKIOFGCMZ-UHFFFAOYSA-N 324.424 3.568 0 40 DHAB CCCN(C(=O)c1ccc2sccc2c1)C1CCNCC1 195543729 PFEDYDGVMWWPPF-UHFFFAOYSA-N 302.443 3.506 0 40 DHAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223527306 PUJJZOSUQCZVOX-MRXNPFEDSA-N 323.436 3.958 0 40 DHAB COc1ccc(C(=O)NCCSc2ccccc2)cc1C 224214336 DILREYSSOMOGNH-UHFFFAOYSA-N 301.411 3.526 0 40 DHAB COc1ccc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)O)cc1 225077746 ZZYYHQMUKSBNKB-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CCOc1cccc(CNC(=S)Nc2ccc(F)cc2)c1 225438837 IVBGGRAJBIYCST-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB Cc1cnc(NC(=O)c2cc(Cl)cc3c2O[C@H](C)C3)s1 252490484 KUWCNLANGUOQII-SSDOTTSWSA-N 308.790 3.681 0 40 DHAB Cc1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260780950 SAEGZKMOOHJDEP-KBRIMQKVSA-N 309.438 3.979 0 40 DHAB Cc1cccc(-c2cnc3n2CCN(Cc2ccsc2)C3)c1 306126129 DNOKKJJCAYPKMI-UHFFFAOYSA-N 309.438 3.936 0 40 DHAB CCc1ccccc1NC(=S)NC(=O)c1ccccc1F 408594719 APZZLYBTVNQRAR-UHFFFAOYSA-N 302.374 3.515 0 40 DHAB O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCC(F)(F)CC1 536411131 NFJOQRVNXJBMAF-UHFFFAOYSA-N 321.289 3.942 0 40 DHAB CCN(CC)[C@H]1CCN(c2nc(-c3ccccc3F)cs2)C1 549142934 ABYAYLAVNAWLMC-ZDUSSCGKSA-N 319.449 3.870 0 40 DHAB Cc1cc(Br)c(OCc2ccccc2)c(CO)c1 1083799937 BBNICPLHUCWOFL-UHFFFAOYSA-N 307.187 3.829 0 40 DHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(F)cc1 428798 IPCAAVRQZIQEEJ-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB O=C(Cc1cc2cc(Cl)ccc2oc1=O)Nc1ccccc1 1715334 RLNSUHVYEBAAFK-UHFFFAOYSA-N 313.740 3.628 0 40 DHAB CC[C@]1(C(=O)OC)CCc2c(cc(OC)c3ccccc23)C1=O 2048695 GPAKVOABOXYPEQ-IBGZPJMESA-N 312.365 3.547 0 40 DHAB CC(C)c1nnc2sc(COc3ccc(Cl)cc3)nn12 2198336 DLQBILFXDZJIBZ-UHFFFAOYSA-N 308.794 3.542 0 40 DHAB Cc1nc2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3 2202557 IYGUSDKVWXEVOQ-UHFFFAOYSA-N 321.409 3.588 0 40 DHAB CCn1nc(C)c(C(=O)NC2CCC(C(C)(C)C)CC2)c1C 2782358 BGISNLJQHIQVAQ-UHFFFAOYSA-N 305.466 3.855 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C 3225086 FJVIKHQVODJBRK-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1ccc2c(CC(=O)OCc3csc(C)n3)coc2c1 3445690 BMPAUCYSMALJMM-UHFFFAOYSA-N 301.367 3.792 0 40 DHAB CC(C)c1cc(=O)[nH]c(SCCOc2ccc(Cl)cc2)n1 4943259 QWFKOTZWBMMDFV-UHFFFAOYSA-N 324.833 3.718 0 40 DHAB O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1cccs1 5484601 PIKCKMRCXZKLCB-UHFFFAOYSA-N 306.293 3.934 0 40 DHAB C[C@H](SCC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 7609411 PWMGMHZIJSIIPS-LBPRGKRZSA-N 311.410 3.996 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(Br)cc1 7645536 RVRSXTNNLQZJNX-FBOQAHMBSA-N 320.186 3.933 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cc(C)nc3ccccc23)c1 7778411 NXKOJBVMMYVPIJ-UHFFFAOYSA-N 319.364 3.754 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@@H]1c1cccs1 8320161 FHNLQMOTWOJGGY-DZGCQCFKSA-N 300.427 3.912 0 40 DHAB CCC(=O)N1CCCc2cc(NC(=O)CC(C)(C)C)ccc21 8768644 GWRLONSXKAYJNL-UHFFFAOYSA-N 302.418 3.751 0 40 DHAB CC(C)CNc1nc(N2CCCCC2)nc2c1SCCC2 9303945 GWWJRACUCWQOMS-UHFFFAOYSA-N 306.479 3.573 0 40 DHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2cccnc2)c1 12514964 UNIMEKGECQZORR-UHFFFAOYSA-N 323.352 3.518 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 12878986 HFAHXYGPWNEARM-SJCJKPOMSA-N 315.800 3.911 0 40 DHAB C[C@H](CNC(=O)c1ncoc1-c1cccs1)c1ccccc1 13565397 FSQWOHPHKXLINC-GFCCVEGCSA-N 312.394 3.937 0 40 DHAB COc1ccccc1/C=C/C(=O)NCCCc1cccc(C)c1 13649885 ROXITJCDLQXAHR-OUKQBFOZSA-N 309.409 3.766 0 40 DHAB Brc1c(OC2CCNCC2)ccc2ccccc12 14631949 GSIXHKDZQMEDES-UHFFFAOYSA-N 306.203 3.733 0 40 DHAB COc1cc(CCC(=O)Nc2ccc(C)cc2F)cc(OC)c1 15603169 LCSIRSIFMJAHDG-UHFFFAOYSA-N 317.360 3.723 0 40 DHAB Cc1ccccc1-c1cc(C(=O)N(C)C)c2cnn(C(C)C)c2n1 22137440 BSBCIXUMJVUQTD-UHFFFAOYSA-N 322.412 3.689 0 40 DHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3)c12 25315679 IYSUTPIHIXAOAU-UHFFFAOYSA-N 308.385 3.652 0 40 DHAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Cl)nc1 29607555 CVJPXOHVWIVGLW-ZJUUUORDSA-N 306.715 3.586 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(OCc2ccccn2)c1 31455088 WXALDWBQWKCZPT-OAHLLOKOSA-N 308.381 3.955 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2cc[nH]n2)cc1 31561671 BHPIHDDRSPADBW-UHFFFAOYSA-N 316.364 3.739 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@H](C)c1cccs1 32475893 ZWGMNHRSFJNKKP-CHWSQXEVSA-N 315.438 3.882 0 40 DHAB C[C@@H](NC(=O)c1ccc2nccnc2c1)c1cc2ccccc2o1 32740941 OJVQKQHFPZVZTN-GFCCVEGCSA-N 317.348 3.867 0 40 DHAB CC(C)(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 32911867 ZFRJGZNRXDSHRH-QGZVFWFLSA-N 317.454 3.893 0 40 DHAB CC(C)c1nc2cc(NC(=O)/C=C/c3cccnc3)ccc2o1 33217390 KMMCCBMXXTUPRE-VMPITWQZSA-N 307.353 3.998 0 40 DHAB CCCNC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1ccc(C)cc1 36395703 XYCGMCBKDQUHGV-APWZRJJASA-N 310.441 3.589 0 40 DHAB Cc1ccc(OCCCCNC(=O)c2ccnc(Cl)c2)cc1 40122469 KEFYYYPKPOYNDG-UHFFFAOYSA-N 318.804 3.632 0 40 DHAB CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCCCCC1 40158874 ALWRLGHWMUDTMO-HNNXBMFYSA-N 324.465 3.567 0 40 DHAB CCOC(=O)c1ccc(CNc2ccc(Br)cc2)o1 40175888 TZGXEIQLOPCWNU-UHFFFAOYSA-N 324.174 3.831 0 40 DHAB CCCCn1nc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1Cl 44913594 LUDYSCIMXLWMMU-LLVKDONJSA-N 323.824 3.599 0 40 DHAB CN(Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1 47921756 INNZULOIBUNEDF-UHFFFAOYSA-N 308.834 3.970 0 40 DHAB FC(F)(F)c1cnc(N[C@H]2CCN3CCCC[C@H]23)c(Cl)c1 47975378 MWUCWAYOQTVIDR-NWDGAFQWSA-N 319.758 3.793 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)o1 48346818 BTYKPCQVESKOKG-WFASDCNBSA-N 311.385 3.995 0 40 DHAB CCOCCCCNC(=O)Nc1ccc(N2CCCC2)c(C)c1 58167369 FBIILTBQQZTXPU-UHFFFAOYSA-N 319.449 3.533 0 40 DHAB C/C=C/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 69421214 QCEIWIDGTSLZKT-BGUJGXSESA-N 309.413 3.852 0 40 DHAB Cc1nc([C@@H](C)NC(=O)N[C@H]2CCc3ccc(F)cc32)cs1 71886661 MANMHWQHRAOYCO-OTYXRUKQSA-N 319.405 3.638 0 40 DHAB CN[C@@H](c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72207696 PXDBZPAFECMRLS-HOTGVXAUSA-N 304.434 3.594 0 40 DHAB CC[C@H](OC1CCCC1)C(=O)N1CCCC[C@@H]1c1nccs1 72298582 HNKPXHLHLWJYSF-CABCVRRESA-N 322.474 3.935 0 40 DHAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(C(C)C)C2)n1 72363469 HVDFUVYKZMETBM-CYBMUJFWSA-N 317.462 3.573 0 40 DHAB CO[C@H](C(=O)Nc1cc(C(C)=O)ccc1Cl)c1ccccc1 83843707 GAIBZBGKYZZIPQ-INIZCTEOSA-N 317.772 3.869 0 40 DHAB O=C(Nc1n[nH]c(-c2cccc3ccccc23)n1)c1cccs1 84598640 VYCWAUNQCKZGBE-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB C[C@H](C[C@H](O)c1ccco1)NC(=O)/C=C/c1cccc(Cl)c1 89895044 FJFNDICVMPSSKF-UJOIQMEZSA-N 319.788 3.575 0 40 DHAB CCO[C@H](C)c1nc(CSc2ccc(Cl)nn2)cs1 95401573 ONVAUBIUXSFMPH-MRVPVSSYSA-N 315.851 3.976 0 40 DHAB C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)c1ncc(C(C)(C)C)o1 95406472 KXDDVYYLKVHQQY-VIFPVBQESA-N 321.808 3.898 0 40 DHAB Cc1ccnc(Cl)c1OCCCOc1ccc2c(c1)OCO2 95458365 KUVFFNWSBRFWLO-UHFFFAOYSA-N 321.760 3.620 0 40 DHAB CO[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 96097385 ZASCCAAQNHXDNT-ZDUSSCGKSA-N 313.781 3.658 0 40 DHAB CCOCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 96431559 JWOWKXYGHRZWGO-UHFFFAOYSA-N 306.749 3.502 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)N(C2CC2)[C@H](C)C(C)C)c1 97103644 QORJPCQVKSOJLU-LLVKDONJSA-N 321.396 3.825 0 40 DHAB CC[C@H](C)C[S@](=O)Cc1ccc(-n2nc(C)cc2C)cc1 97115185 ZAKYDIKZQJDHGA-YEJXKQKISA-N 304.459 3.784 0 40 DHAB c1cncc(CNCc2c[nH]nc2-c2cc3ccccc3o2)c1 97159732 RQLUBYQHKKREMQ-UHFFFAOYSA-N 304.353 3.508 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100538018 XPZDBBLKGGQCOM-XMUKKISLSA-N 310.180 3.529 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102306319 DTMAZMKJRNMIRQ-JMIFQINSSA-N 301.430 3.703 0 40 DHAB CC1=NN(c2nc(-c3cc4ccccc4[nH]3)cs2)C(=O)[C@@H]1C 102572664 SBNRZEJIABEAGD-SECBINFHSA-N 310.382 3.650 0 40 DHAB OCc1ccc2oc(-c3ccc(Br)cc3)nc2c1 107708229 YIPPMYDFWNLIRA-UHFFFAOYSA-N 304.143 3.750 0 40 DHAB C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1nc2ccccc2o1 126220794 FWKDZKPQEJIYKT-SECBINFHSA-N 310.279 3.760 0 40 DHAB COc1cc(C)c(NC(=O)NCC2(SC)CCC2)cc1F 193977100 SPRCFAHUXCXCPI-UHFFFAOYSA-N 312.410 3.550 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2c(c1)CCCC2 224313812 BEWPBIPAINZHTI-OAHLLOKOSA-N 321.420 3.922 0 40 DHAB COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cn1 225884759 NMTJDUYGJKXNSH-UHFFFAOYSA-N 308.422 3.506 0 40 DHAB CC[C@H](COC)NC(=O)Nc1cccc(C(F)F)c1Cl 390833909 OQWZMCWFAOUEAV-MRVPVSSYSA-N 306.740 3.824 0 40 DHAB O=C(NCc1noc2ccccc12)c1ccccc1OCC1CC1 562297347 UYJFWHOPICYPHF-UHFFFAOYSA-N 322.364 3.547 0 40 DHAB CC(C)n1cc(CN2CC3(CCCC3)c3cccc(F)c32)nn1 578558120 ANJFUZGMENGSLT-UHFFFAOYSA-N 314.408 3.830 0 40 DHAB CCN(C(C)C)[C@H]1CCOC2(CCN(c3ccccc3)CC2)C1 2037834872 ABJJYZXDQSWJAX-IBGZPJMESA-N 316.489 3.935 0 40 DHAB O=C(NCc1ccncc1)c1sc2ccccc2c1Cl 64781 RFGSQJVVSYMIBC-UHFFFAOYSA-N 302.786 3.880 0 40 DHAB CCN(CC)C(=O)c1sc2nc3ccc(C)cc3cc2c1N 422153 UKBDWAUBDWKICD-UHFFFAOYSA-N 313.426 3.822 0 40 DHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc2ncsc2c1 2630605 CBNGHJBNXYHYDH-UHFFFAOYSA-N 308.284 3.966 0 40 DHAB CCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3)o2)cc1 2663415 VVFZCCPLJXQAJN-UHFFFAOYSA-N 324.340 3.779 0 40 DHAB COc1ccc(CC(=O)Nc2nc(C(C)(C)C)cs2)cc1 2761632 VLCJDZBTEOQHJP-UHFFFAOYSA-N 304.415 3.630 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)CSCc1ccco1 3258218 IDMBIPWSBSAPMY-CQSZACIVSA-N 303.427 3.650 0 40 DHAB Cc1cccc(Nc2nnc(SCc3ccon3)s2)c1 3338302 KZIWTBZCBUWVIW-UHFFFAOYSA-N 304.400 3.870 0 40 DHAB O=C1C[C@H](Nc2ccccc2)C(=O)N1c1cccc2ccccc12 5011274 PTHXIXLCTUJQTE-KRWDZBQOSA-N 316.360 3.584 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 5062703 OJUKBPPQHZXQTH-WMLDXEAASA-N 317.429 3.743 0 40 DHAB Cc1cccc(N2CCN(C(=O)CCc3ccccc3)CC2)c1C 6079529 KKKDIGKLOHGZOJ-UHFFFAOYSA-N 322.452 3.585 0 40 DHAB O=C(CSc1ncccn1)Nc1c(Cl)cccc1Cl 6320901 VUTVSNYFQAFVCD-UHFFFAOYSA-N 314.197 3.514 0 40 DHAB Cc1cc(C)c2oc(C(=O)Nc3ccccc3C)cc(=O)c2c1 6811307 SWQOHNNGTJMMPZ-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1ccccc1NC(=O)CCc1nc(-c2ccsc2)no1 7069870 ZXVOFGFEWRTWFN-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB COc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1F 7920585 PHMRPWCODRBTFX-KRWDZBQOSA-N 313.372 3.571 0 40 DHAB Cc1cccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)n1 9314265 FOEOZWBEYXSPRR-UHFFFAOYSA-N 310.357 3.610 0 40 DHAB Cc1cnc(NC(=O)CCc2nc3ccccc3s2)s1 10622958 GCRQJRNHPISIGV-UHFFFAOYSA-N 303.412 3.633 0 40 DHAB CCCCC(=O)NC(OC(C)C)(C(F)(F)F)C(F)(F)F 12419551 VMWVZPHGEUWOFY-UHFFFAOYSA-N 309.250 3.539 0 40 DHAB CCc1ccc([C@@H](C)NCC(=O)Nc2cccc(C(C)=O)c2)cc1 12978685 FJFSQZNOTCAUII-CQSZACIVSA-N 324.424 3.741 0 40 DHAB Cc1[nH]ccc(=O)c1Oc1ncc(C(F)(F)F)cc1Cl 13597562 XEUYAJTYYDXIDJ-UHFFFAOYSA-N 304.655 3.543 0 40 DHAB CCN1C(=O)C[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 13684355 CXZKYYQIHPFOSL-OAHLLOKOSA-N 318.376 3.697 0 40 DHAB CC[C@H](C)n1cc(/C=C2/NC(=O)N(CC)C2=O)c2ccccc21 15013926 CTDQRVCFKGOLRR-XBUHWIKASA-N 311.385 3.525 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)Cc1ccc(Cl)cc1 15471921 MLBZJEUMLXZQNE-LBPRGKRZSA-N 303.789 3.769 0 40 DHAB Cc1cnc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)s1 17198018 LZGXTRHAEPARPU-LBPRGKRZSA-N 310.831 3.884 0 40 DHAB CCOc1ccccc1NC(=S)NCc1cccc(OC)c1 18141452 UOGOQNBSCFCYBT-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB CCc1ccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 21559664 XSJKEPNCQLNAPP-KRWDZBQOSA-N 324.424 3.655 0 40 DHAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 22525257 GGVAJBZQIAFWDK-CABCVRRESA-N 313.397 3.648 0 40 DHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC[C@@H]1CCCO1 23876120 UPTLPNCYANFEAF-IBGZPJMESA-N 309.409 3.581 0 40 DHAB COc1ccccc1Oc1ccc(NC(=O)c2ccncc2)cn1 31773479 UKRJLCGVNVUMQK-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB CC(C)N(Cc1ccccc1)Cc1nc(O)c2sccc2n1 36647496 SMYMOLPKOOSDIO-UHFFFAOYSA-N 313.426 3.808 0 40 DHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1nccs1 40512974 DFRLVJMEMTYTFC-JTQLQIEISA-N 310.806 3.535 0 40 DHAB COc1cc(C(=O)N2CCCC2)cc(Cl)c1OCC(C)C 41777685 GZIDQTSBMYTVLE-UHFFFAOYSA-N 311.809 3.619 0 40 DHAB COc1ccc(OC)c(NC(=O)Nc2cc(F)ccc2F)c1 51354399 GUAWNKHXNOMVMJ-UHFFFAOYSA-N 308.284 3.626 0 40 DHAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@H]1C1CCCC1 56033712 NVCNUCROCINPEU-HNNXBMFYSA-N 311.381 3.588 0 40 DHAB CCN(C(=O)c1cc(F)cc(Br)c1)c1cccnc1 68303231 BVBBTHOIAOIDEU-UHFFFAOYSA-N 323.165 3.650 0 40 DHAB Cc1cnn([C@H](C)[C@@H](C)NCc2coc(-c3cccs3)n2)c1 69814993 ANOQGVUQBXHHJQ-CHWSQXEVSA-N 316.430 3.647 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCCc3ccccc32)on1 71820958 GZAZGWAIKFOWGV-IRXDYDNUSA-N 310.397 3.767 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)c2cccnc2C)n1 72273432 IZODECPIOVJYCC-AWEZNQCLSA-N 301.415 3.522 0 40 DHAB CC(C)Nc1ccc(C(=O)Nc2ccc3ncccc3c2)cn1 72311883 GUHYMQBEPQYEMH-UHFFFAOYSA-N 306.369 3.702 0 40 DHAB CCOc1ccccc1CNC(=O)c1cc(F)ccc1Cl 72331777 ANTXZWIGKPMUNR-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB COc1cccc(NC2=NC(=O)S/C2=C\c2cccnc2)c1 72400419 BMMOALONCLQHKS-ZSOIEALJSA-N 311.366 3.809 0 40 DHAB CC(=O)c1ccccc1C(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C 73939842 SSENGCHOQIQLBD-WFASDCNBSA-N 313.422 3.969 0 40 DHAB COc1cccc(CNC(=O)c2ccc(-c3ccccc3)[nH]2)c1 75136757 PPFVCTGWWDRHEQ-UHFFFAOYSA-N 306.365 3.620 0 40 DHAB C[C@H]1CCN(C(=O)CCCc2ccccn2)[C@H](c2ccco2)C1 75389782 ZHFTYFBDCNZZJC-RDJZCZTQSA-N 312.413 3.997 0 40 DHAB O=C(NC1CCOCC1)c1ccc(-c2ccc(F)cc2)cc1F 78557006 FDNLWVZFUWVUMR-UHFFFAOYSA-N 317.335 3.541 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(Cl)c1 78578927 OHPVVFIOHVJLDB-CYBMUJFWSA-N 303.789 3.846 0 40 DHAB CC[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 79456790 QYBDDQZBEQLAPE-DAWZGUTISA-N 301.430 3.598 0 40 DHAB COCCC1(CNC(=O)Nc2cc(F)c(F)cc2Cl)CC1 89410036 AHNQDGUGJKBSNT-UHFFFAOYSA-N 318.751 3.556 0 40 DHAB CC(C)[C@@H](NCc1nncn1-c1ccccc1)c1ccccc1 91284616 AIRUXZPMXQCVIY-LJQANCHMSA-N 306.413 3.754 0 40 DHAB CCNc1ncc(C(=O)N(C)c2nc([C@H](C)CC)cs2)s1 95429497 XVAURUQYKYMBIL-SECBINFHSA-N 324.475 3.822 0 40 DHAB CCO[C@H](C)c1nc(CN2CCS[C@H](CC)C2)cs1 96441716 WHGHSJUVDVVJQZ-DGCLKSJQSA-N 300.493 3.568 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)ccc1F 96659581 IZSSACYVTBBLIE-UHFFFAOYSA-N 323.389 3.722 0 40 DHAB CCc1cc(C(=O)N(CC2CC2)[C@@H](C)c2ccccc2)cc(=O)[nH]1 97047262 UDXZVCDPTRZSEY-AWEZNQCLSA-N 324.424 3.551 0 40 DHAB O=C(Nc1cnns1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 97105264 XKIBBPQSQIQVRR-UWVGGRQHSA-N 314.197 3.587 0 40 DHAB O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1C[C@H]2CC[C@H]1C2 106167660 URLNEFRHRKGBJM-HPEDKQMDSA-N 320.230 3.564 0 40 DHAB COc1ccc([C@@H](NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C(C)C)cc1 107568701 OQXMLSFAKKQALR-IKICRFKJSA-N 301.430 3.945 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)NC3CCCCC3)cc2)n1 148084633 FMDBXYKJBHHHNJ-UHFFFAOYSA-N 311.429 3.611 0 40 DHAB Cn1cc(NC(=O)Nc2ccc3nc(C4CC4)sc3c2)cn1 194592892 UZIXUDKPXOGCKJ-UHFFFAOYSA-N 313.386 3.551 0 40 DHAB CC(C)Oc1ccccc1C(=O)NCCCc1ccc(F)cc1 219738696 GHJLXDSFYJYGKX-UHFFFAOYSA-N 315.388 3.976 0 40 DHAB COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1C 224936769 NNMNXCPVTDNIFN-UHFFFAOYSA-N 310.397 3.856 0 40 DHAB CC(C)Oc1cccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225324071 BLKFJZSTOWRFQX-IOASZLSFSA-N 304.459 3.949 0 40 DHAB c1ccc(CO[C@@H]2[C@H]3CC[C@H]2N(CC2CCCCC2)C3)nc1 248087310 FLIQGYJRFSHRFU-QXAKKESOSA-N 300.446 3.641 0 40 DHAB CC(C)Oc1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260658746 BLKFJZSTOWRFQX-HEHGZKQESA-N 304.459 3.949 0 40 DHAB O=C(NCc1ccc(-c2ccco2)o1)c1ccc(F)c(F)c1 575608915 LWRLNRHNOJUZFL-UHFFFAOYSA-N 303.264 3.748 0 40 DHAB Cc1cccc([C@@H](NCc2nc(C3CC3)nn2C)C(C)(C)C)c1 580547558 ISXMEGJNHHYRGI-QGZVFWFLSA-N 312.461 3.878 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 33009 OMCANZFFTKHJBI-UHFFFAOYSA-N 312.369 3.686 0 40 DHAB O=c1c2c3c(sc2ncn1Cc1ccc(Cl)cc1)CCC3 257484 JOWCEJVYXOBNOE-UHFFFAOYSA-N 316.813 3.648 0 40 DHAB COc1ccccc1C(=O)Nc1ccccc1Br 369216 XABOPWLLUPOIPN-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB Cc1cc2ccccc2nc1SCC(=O)N1CCC[C@H](C)C1 416347 ZUFWDBUIYRFILK-ZDUSSCGKSA-N 314.454 3.894 0 40 DHAB COc1ccc2[nH]c3c(NCc4ccc(F)cc4)ncnc3c2c1 542088 JBVZWPYPUKPMCD-UHFFFAOYSA-N 322.343 3.871 0 40 DHAB O=C(NCCCc1ccccc1)c1ccc(Br)cc1 2085839 LKWIHGUCDCYECN-UHFFFAOYSA-N 318.214 3.812 0 40 DHAB O=C1C[C@@H](c2cccs2)Cc2nc3nc4ccccc4n3cc21 2357140 SENMHDLEQFUJPW-NSHDSACASA-N 319.389 3.857 0 40 DHAB Cc1cccc(OCCC(=O)N[C@H]2CCCc3ccccc32)c1 2635588 RFDQWOORCNUDNB-IBGZPJMESA-N 309.409 3.958 0 40 DHAB Cc1ccccc1N[P@](C)(=O)c1nc2c(s1)CCCC2 3173189 VVOJKGFKNMCNKG-LJQANCHMSA-N 306.371 3.976 0 40 DHAB Cc1cc2oc(=O)cc(CSc3ncccn3)c2cc1Cl 3350308 LHYGAPSPHJRXQR-UHFFFAOYSA-N 318.785 3.837 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2s1 3369218 OYGYOBZZSREKMI-UHFFFAOYSA-N 312.350 3.586 0 40 DHAB Clc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 3843122 SQYPMDLQSKIWTE-AWEZNQCLSA-N 314.801 3.947 0 40 DHAB biogenic Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@@H]2C(C)C)cc1 4827816 HRSUJLDSSMFIOV-WBVHZDCISA-N 320.458 3.570 0 40 DHAB COc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 5861995 SLHWQUQXUVNNIQ-LLVKDONJSA-N 305.761 3.755 0 40 DHAB CCC(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 7016161 ODFFIYDNJZFVGS-GOSISDBHSA-N 316.328 3.887 0 40 DHAB Cc1ccc2nc(CNc3ccc(C)c(Cl)c3)cc(=O)n2c1 7383692 GWSSKQJIYNQRLY-UHFFFAOYSA-N 313.788 3.577 0 40 DHAB CC(C)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 8071591 SCGLQXOUUHGMOX-UHFFFAOYSA-N 322.202 3.981 0 40 DHAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)C1CCCCC1 8769726 WJHUBUUMFMIVQS-UHFFFAOYSA-N 319.405 3.787 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1 9140441 LBTJBAFQJLODCF-UHFFFAOYSA-N 302.374 3.515 0 40 DHAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c(O)c1 10123573 IMFUBMTYCHZIBM-UHFFFAOYSA-N 322.364 3.927 0 40 DHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COC12CC3CC(CC(C3)C1)C2 10434627 JKXCTIFAGZFWSE-FGMWCOEWSA-N 321.505 3.596 0 40 DHAB O=C(Cn1ccnc1)c1c(-c2ccccc2)[nH]c2ccccc12 10809725 IUSYIZRAIAMISW-UHFFFAOYSA-N 301.349 3.914 0 40 DHAB Cc1ccc2nsnc2c1NC(=O)c1ccc(Cl)cc1 12854430 UNQAOQIGIQFTBN-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1Cc2ccccc2O1 15576899 OAMQJDBOGNXFGW-INIZCTEOSA-N 322.389 3.752 0 40 DHAB CC(=O)Nc1cc(C(=O)N[C@H]2C[C@H](C)CC[C@@H]2C)ccc1C 20395597 QFBYVEDMPNEUNS-WQGACYEGSA-N 302.418 3.508 0 40 DHAB Cc1noc(-c2ccccc2NC(=O)/C=C/c2ccccc2)n1 22461655 UQEGZAHHRBDVHN-VAWYXSNFSA-N 305.337 3.697 0 40 DHAB Cc1ccc(NC(=O)c2cccnc2Oc2ccccc2)nc1 24924443 GEDITNMIHPPJBG-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CCCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27583821 GQKZJZYHULUBEW-MRXNPFEDSA-N 308.853 3.783 0 40 DHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1Cl 27846642 LZIRGUAJHDHHEE-AWEZNQCLSA-N 314.816 3.596 0 40 DHAB Cc1cccc(/C=C/C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 32738364 LRBIPWQACFMHDP-PLSXKVAHSA-N 305.381 3.762 0 40 DHAB Cc1ccc([C@@H]2CCCN2CC(=O)NCc2cccs2)cc1 32754407 YCDJKHICHPLNFJ-KRWDZBQOSA-N 314.454 3.510 0 40 DHAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Br 39651680 UCCIFVNIAMAXLD-UHFFFAOYSA-N 302.555 3.761 0 40 DHAB COc1ccc(OC)c([C@H](O)c2ccc(Br)cc2)c1 40244672 OGGSKGYYVONKEJ-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccccc1 44840617 BADVUSGQLDWIIT-SFHVURJKSA-N 311.425 3.820 0 40 DHAB Cc1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)on1 48355446 GBLJLAZNYPRUHS-UHFFFAOYSA-N 318.804 3.765 0 40 DHAB CC(C)Sc1ccccc1C(=O)NCCOc1ccccc1 49984543 LQRRZUCQHOBUDE-UHFFFAOYSA-N 315.438 3.996 0 40 DHAB CCOc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 57416256 AGDJLUYOZQFIEI-UHFFFAOYSA-N 315.438 3.956 0 40 DHAB C/C=C/C=C/C(=O)Nc1ccc(CN2CCSCC2)cc1C 58357104 PRSDPGKUVCNZAC-VNKDHWASSA-N 316.470 3.615 0 40 DHAB Nc1ccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 64874552 HMLOVDJKTVXFNL-UHFFFAOYSA-N 304.275 3.740 0 40 DHAB Cc1cccc(OC(F)F)c1NC(=O)[C@@H]1C[C@@H]1c1ccco1 69536054 SSSPYEMBAQXZNJ-WDEREUQCSA-N 307.296 3.932 0 40 DHAB CC(C)=CC(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 69619761 UZGYRKUDTJKLOR-UHFFFAOYSA-N 322.821 3.524 0 40 DHAB Cc1ccc(C2(C(=O)N3C[C@@H](C)C[C@@H](C)C3)CCOCC2)cc1 72265197 ADKJAAWBQNUIPV-CALCHBBNSA-N 315.457 3.548 0 40 DHAB Oc1ccccc1-c1ccnc2cc(-c3ccc(F)cc3)nn12 72405697 KLOCASTVOUMFLW-UHFFFAOYSA-N 305.312 3.908 0 40 DHAB CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 73269791 RWXXNIBQYXRWNN-GFCCVEGCSA-N 304.365 3.718 0 40 DHAB CCOC(=O)c1ccc(SCc2ncc(C(C)C)o2)nc1 79091542 XAIBTFKQPIPWHS-UHFFFAOYSA-N 306.387 3.662 0 40 DHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cn1 84191168 KHIJLRQVLBRGQU-INIZCTEOSA-N 321.380 3.899 0 40 DHAB CN(Cc1nc(O)c2sccc2n1)Cc1ccccc1Cl 89363787 IYIYVMQSHAFDRF-UHFFFAOYSA-N 319.817 3.682 0 40 DHAB Cc1n[nH]c2ncc(NCc3ccc4c(c3)CC(C)(C)O4)cc12 95943682 UNOJLSUKZYFMSY-UHFFFAOYSA-N 308.385 3.592 0 40 DHAB CO[C@H]1CCN(c2ccc(NC(=O)Nc3cccs3)cc2)C1 96122332 RCMADCAWICNRFM-AWEZNQCLSA-N 317.414 3.617 0 40 DHAB CCC(=O)Nc1ccc(-c2nc(-c3cnn(C)c3)cs2)cc1 96421299 FRPTWXFOTGROQQ-UHFFFAOYSA-N 312.398 3.559 0 40 DHAB CC(=O)c1ccc2cc(OC(=O)CC3CCOCC3)ccc2c1 96451957 PBKVCTODMOENOV-UHFFFAOYSA-N 312.365 3.765 0 40 DHAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1CCCSC1 97371192 IMQDRVVRPTXCGC-JOYOIKCWSA-N 321.412 3.608 0 40 DHAB Cn1cnc2cc(C(=O)NCc3cccc4ccccc34)ccc21 120819284 PHWMHDNJOWNKCD-UHFFFAOYSA-N 315.376 3.657 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1C[C@@H](C)C[C@H](C)C1 217797931 ZDGOODLOJPYYCM-HOTGVXAUSA-N 319.445 3.645 0 40 DHAB CCCCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 224227052 OHJCTIOQJPZDLL-UHFFFAOYSA-N 313.463 3.596 0 40 DHAB Cc1c(Cl)cccc1N(C)S(=O)(=O)c1cccs1 225131413 WVRPNAKRWOUREH-UHFFFAOYSA-N 301.820 3.535 0 40 DHAB O=C(Cc1ccccc1Cl)NCCCc1ccc(F)cc1 225438982 DDAKYUOZNPROTD-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB CCCOC(=O)c1cc(N)ccc1Nc1ccccc1OCC 225479035 WPSMCAOTTVRSDD-UHFFFAOYSA-N 314.385 3.978 0 40 DHAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)cn1 225479381 YTZIXZSNBMISTD-ZDUSSCGKSA-N 315.442 3.755 0 40 DHAB COC(=O)CC(C)(C)CC(C)(C)CNC(=O)OC(C)(C)C 256049565 ALSTUCPFZVXMKR-UHFFFAOYSA-N 301.427 3.517 0 40 DHAB CC(C)[C@H](C(=O)N1CC[C@H](c2cccnc2)C1)c1ccccc1 583996053 GUKRSSIJYAWBDQ-OALUTQOASA-N 308.425 3.837 0 40 DHAB Cc1nnc(NC(=O)[C@@H](c2cccnc2)C2CCCCC2)s1 585141680 WVGGRYKOUVQOPP-CQSZACIVSA-N 316.430 3.544 0 40 DHAB Cc1cnc([C@@H]2CCN(C(=O)C3(c4ccccc4)CCCC3)C2)[nH]1 585181433 MGUNJBUYENJXNP-MRXNPFEDSA-N 323.440 3.546 0 40 DHAB CN(C)CCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 73582 HTXOERKCSADZHX-UHFFFAOYSA-N 313.470 3.720 0 40 DHAB COc1ccc(/C=C/C(=O)Oc2ccc(C)c(C)c2)c(OC)c1 147499 DSVRFKLJWKKQDG-JXMROGBWSA-N 312.365 3.939 0 40 DHAB CN1C(=O)c2c(sc3c2CCCC3)N[C@@H]1c1ccc(O)cc1 213271 QIIFGBCQKDXNQK-HNNXBMFYSA-N 314.410 3.529 0 40 DHAB O=c1c2ccc(Cl)cc2[nH]c(=S)n1Cc1cccs1 425260 TUMKOONWVHHBKH-UHFFFAOYSA-N 308.815 3.822 0 40 DHAB Cc1ccc(CSc2nnc(-c3ccccn3)n2C)cc1C 523911 SEPFUCDAAGQNJZ-UHFFFAOYSA-N 310.426 3.786 0 40 DHAB CCOc1cccc(-c2nnc3sc(-c4ccco4)nn23)c1 524042 ADIGOZZADWWZHJ-UHFFFAOYSA-N 312.354 3.512 0 40 DHAB aggregator O=C(O)[C@H]1CCCC[C@H]1C(=O)c1ccc(Br)cc1 2570083 OVZXXISOLDHARA-NEPJUHHUSA-N 311.175 3.523 0 40 DHAB CC(C)(C)NC(=O)COc1ccc(OCc2ccccc2)cc1 2645203 ZYSONVKTAUHYTO-UHFFFAOYSA-N 313.397 3.559 0 40 DHAB CCCOC(=O)c1c(NC(=O)OCC)sc2c1CCCC2 2729675 HZVYSLSUUHQGII-UHFFFAOYSA-N 311.403 3.762 0 40 DHAB Cc1cc(C(F)F)nn1CC(=O)Nc1cccc2ccccc12 2763591 QOPBCFMLAMGCOK-UHFFFAOYSA-N 315.323 3.921 0 40 DHAB O=C(COc1ncnc2ccccc12)c1ccc(Cl)s1 3266873 HFXDSMUYZTXBOJ-UHFFFAOYSA-N 304.758 3.606 0 40 DHAB COCCNc1ncnc2scc(-c3ccc(F)cc3)c12 3416848 URPCNAOGWCIBBL-UHFFFAOYSA-N 303.362 3.556 0 40 DHAB CCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 3439750 XVVFRJMXNNWISK-AWEZNQCLSA-N 303.427 3.679 0 40 DHAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 4157340 GIDIEUDYRSCPEQ-OHFALNGGSA-N 309.365 3.525 0 40 DHAB CC(C)C(=O)n1nc(-c2ccco2)nc1NCc1cccs1 4777313 XGBFJZOSVMSQLI-UHFFFAOYSA-N 316.386 3.508 0 40 DHAB CCn1cc(NC(=O)NCc2ccc(OC)cc2)c2ccccc21 5266054 JGZGBOAVZRDIMG-UHFFFAOYSA-N 323.396 3.992 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1 5396786 ZTBCPDKWBXVFEF-UHFFFAOYSA-N 310.784 3.920 0 40 DHAB C[C@@H](Sc1nc2ccccc2o1)c1nc2ccccc2c(=O)[nH]1 5629033 KCSSNBOYAJPHQI-SNVBAGLBSA-N 323.377 3.918 0 40 DHAB CCc1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 5648893 IWXZGIDSMXGEJR-UHFFFAOYSA-N 320.421 3.866 0 40 DHAB COc1ccc(CNc2ncnc3sc4c(c23)CCC4)cc1 5938292 KKKFKRPGXQZWCU-UHFFFAOYSA-N 311.410 3.801 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1 6152262 XIKJBKDQKCMNKI-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB COc1cc(/C=C(\C(=O)O)c2ccc(Cl)cc2)ccc1O 6180923 TYMGHKPVWLZIHH-JYRVWZFOSA-N 304.729 3.679 0 40 DHAB Cc1cccc(CSCC(=O)Nc2ccc3c(c2)OCO3)c1 6335929 YBJKJZSRXOABIP-UHFFFAOYSA-N 315.394 3.596 0 40 DHAB Cc1cc(C)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1 6922229 CGYBHVUSAVJKCP-UHFFFAOYSA-N 316.470 3.971 0 40 DHAB C[C@H](Sc1ncccn1)c1nnc(-c2ccc(F)cc2)o1 6986840 NRNRHGKBCNQUEQ-VIFPVBQESA-N 302.334 3.519 0 40 DHAB O=S(=O)(Nc1ccccc1)c1ccccc1C(F)(F)F 7052476 ZMUUUDUNWPNSQD-UHFFFAOYSA-N 301.289 3.506 0 40 DHAB CC(C)=CC(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 7651558 HYPJDKXPOURGIT-SECBINFHSA-N 316.184 3.830 0 40 DHAB COc1ccc(CN(C)C(=S)Nc2ccc(F)cc2)cc1 7658977 KMQIPNHLPIDHJZ-UHFFFAOYSA-N 304.390 3.663 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)Cc1cn2ccsc2n1 9317427 ZRNSUASBNVVIFK-UHFFFAOYSA-N 305.790 3.539 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccc(C)cc2)c1 10433948 JYAGHBFDRQXNPO-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1ccc(Oc2ccccc2NC(=O)Cn2ccnc2)cc1 10809890 UAMGTIRICFTJLL-UHFFFAOYSA-N 307.353 3.623 0 40 DHAB CCCNC(=O)[C@@H](C)Sc1nc(C2CC2)nc2ccccc12 10949157 IRAFKDJSXNQNLJ-LLVKDONJSA-N 315.442 3.514 0 40 DHAB O=C(NC1CC1)[C@H](Sc1ncccc1Cl)c1ccccc1 11249412 RGQRVXIFZSYXLJ-CQSZACIVSA-N 318.829 3.847 0 40 DHAB O=C(CSc1nncn1C1CC1)c1ccc2ccccc2c1 11720484 LPTKQYHWJHRGNK-UHFFFAOYSA-N 309.394 3.741 0 40 DHAB O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccncc1 12599363 WENFVOCIVILXQR-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB CCc1ccc2[nH]c(=O)c(CNc3ccc(O)cc3C)cc2c1 13086658 KTWQERJUUTUJKR-UHFFFAOYSA-N 308.381 3.717 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(OC(C)C)cc1 15471933 FCGYPPNJQYJOTL-AWEZNQCLSA-N 313.397 3.973 0 40 DHAB O=c1c2c(sc3ccccc13)NCN(Cc1ccccc1)C2 19203158 ZEOVCKGFJJMSFC-UHFFFAOYSA-N 308.406 3.647 0 40 DHAB Cc1ccc(NC(=O)c2ccc(N)cc2)c(Br)c1 19388531 YSSCMSXHWIBJPM-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Cc1ccnc(NC(=O)c2ccc(F)cc2Br)c1 19844274 JGSRHYGNHJQTMY-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB Cc1ccc(-c2noc(COC(=O)c3sccc3C)n2)cc1 21468524 YELAXHQKXUTTHN-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2cccs2)N2CCCC2)cc1 27794360 CAVBGLFXHSEFMB-INIZCTEOSA-N 314.454 3.623 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)c1cnn(C)c1 27919277 VQBGXKQRSVSZDW-MRVPVSSYSA-N 313.188 3.610 0 40 DHAB CCCCC[C@H](C)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 29472414 ZBKGRDKOSRWRJP-JSGCOSHPSA-N 309.837 3.976 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 29515638 ZUSCTVPFPGBSSI-TXEJJXNPSA-N 300.377 3.800 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 32680947 AJZUSQPQUZJHLL-KGLIPLIRSA-N 301.361 3.608 0 40 DHAB CC(C)(C)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 32911866 ZFRJGZNRXDSHRH-KRWDZBQOSA-N 317.454 3.893 0 40 DHAB COc1ccc(F)cc1[C@H](O)c1cccc(Br)c1 40258385 UAIABLUXNLSSAL-CQSZACIVSA-N 311.150 3.679 0 40 DHAB CCOC(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 40433770 NPZFWAFEFBYTON-UHFFFAOYSA-N 306.774 3.893 0 40 DHAB C[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)C1 46729024 MGJSJNCDMFQDSS-LLVKDONJSA-N 303.793 3.602 0 40 DHAB CCN(CC)CCOc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 55553780 DSCGRXUPMRYUMU-MRXNPFEDSA-N 316.445 3.702 0 40 DHAB CCn1c(C)cc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1C 67047595 QSRYKQZQLVUCCC-CQSZACIVSA-N 317.458 3.601 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2Cl)cc1 67086321 SNGDKLJRHITSNE-CYBMUJFWSA-N 303.789 3.846 0 40 DHAB CCc1ccccc1NC(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1 69417862 ROVIZUNMWDHGJW-KXBFYZLASA-N 317.477 3.881 0 40 DHAB CSc1ccc(C)c(C(=O)Nc2[nH]nc(C3CC3)c2C)c1 69843968 MYEOKSJYJKJWAS-UHFFFAOYSA-N 301.415 3.878 0 40 DHAB CSc1ncnc2c1sc1nc(N3CCCC3)cc(C)c12 71279987 CDDFLERWWPJIDH-UHFFFAOYSA-N 316.455 3.870 0 40 DHAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)c(OC)c1 71800821 VXYWIWXKSNETFY-AWEZNQCLSA-N 313.397 3.845 0 40 DHAB COCCC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 72295530 FRTRJAIPVVOBOO-AWEZNQCLSA-N 313.397 3.576 0 40 DHAB Cc1ccc(CNCCNc2ncc(Cl)cc2Cl)s1 72310922 YAJNBYUJCLYKKL-UHFFFAOYSA-N 316.257 3.960 0 40 DHAB O=C(NC[C@H](O)C1CCCCC1)C1(c2cccs2)CCCC1 75155606 LHHKCWUWDMELJV-HNNXBMFYSA-N 321.486 3.617 0 40 DHAB Cn1ccnc1-c1cccc(NC(=O)N2CC[C@H]3CCCC[C@H]32)c1 77445029 KLAUQSMGVWPVDI-RHSMWYFYSA-N 324.428 3.884 0 40 DHAB Cc1ccc2c(c1)N(C(=O)c1cc(C(C)C)no1)C[C@@H](C)O2 81388991 FOVMYBTZIFGTOM-GFCCVEGCSA-N 300.358 3.534 0 40 DHAB Cc1ccc(NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)cc1 84155231 IGGIVBFLRYZHND-UHFFFAOYSA-N 308.341 3.997 0 40 DHAB O[C@H](CN1CCCCCCC1)c1ccc(OC(F)(F)F)cc1 84392949 BURYQIHVYDZXOG-OAHLLOKOSA-N 317.351 3.885 0 40 DHAB C[C@H]1CN(CCNCc2cccc(-c3ccccc3)c2)C[C@@H](C)O1 84706316 ZBMDBHYASIVXSV-HDICACEKSA-N 324.468 3.552 0 40 DHAB c1ccc(-c2cc(COc3ccccc3-c3nc[nH]n3)no2)cc1 89851126 FTMOIRHZXKHKCX-UHFFFAOYSA-N 318.336 3.706 0 40 DHAB O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)C1CC=CC1 89878956 MANYWUPPMHFWOL-KRWDZBQOSA-N 312.800 3.907 0 40 DHAB CCN(C(=O)c1ccc[nH]1)[C@H](c1ccc(F)cc1)c1cccnc1 95396481 XUBGLLWDZKAZJY-GOSISDBHSA-N 323.371 3.801 0 40 DHAB Cc1cnc(C[S@@](=O)Cc2csc(C3CCCCC3)n2)o1 95409616 WNQXOOHUWCEMLK-OAQYLSRUSA-N 324.471 3.936 0 40 DHAB COc1ccc([C@@H](C)[C@H](C)NCCc2csc(C)n2)cc1 95419968 IDQRGRWYHBZGDT-STQMWFEESA-N 304.459 3.784 0 40 DHAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC1CC=CC1 95440334 GRXXBGSGDNCQIQ-GFCCVEGCSA-N 307.463 3.996 0 40 DHAB Cc1nc(CCN[C@@H](CCc2ccccc2)C(F)F)cs1 95466846 ZXLIRYPXLUQXHQ-HNNXBMFYSA-N 310.413 3.850 0 40 DHAB CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@@H]1O 95466993 PSHGUWGZZOTJNZ-KBPBESRZSA-N 310.825 3.601 0 40 DHAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)cc1C 95915148 CURBTCZGGRXNBY-GOSISDBHSA-N 322.408 3.664 0 40 DHAB CCN(C(=O)c1csc(-c2ccoc2)n1)c1nc(C)cs1 96416483 FLBIEROGVZQJJN-UHFFFAOYSA-N 319.411 3.835 0 40 DHAB Cn1ncnc1CN[C@H](c1cccc(Cl)c1)C1CCCCC1 96472212 VNZUWYNMCGKREW-KRWDZBQOSA-N 318.852 3.880 0 40 DHAB O=C1OC(c2ccc(F)cc2F)=N/C1=C/c1ccc(F)c(F)c1 96892191 XDVGVDUVALPLFW-MKMNVTDBSA-N 321.229 3.588 0 40 DHAB c1ccc2c(CN3CCO[C@H](c4nccs4)C3)csc2c1 97200034 KIFOHADGZUWJFU-AWEZNQCLSA-N 316.451 3.931 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 105715521 VFIDBQQURVTOGP-AVGNSLFASA-N 304.365 3.549 0 40 DHAB C[C@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12 118932140 VFQOKWWMUFPWLL-GQJCYDQCSA-N 306.490 3.997 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223184131 HHMPSUSMXASZDZ-CQSZACIVSA-N 315.438 3.523 0 40 DHAB S=C(Nc1ccc(N2CCCC2)nc1)NC1CCCCCC1 224041593 WWKSXAPKINDBKI-UHFFFAOYSA-N 318.490 3.691 0 40 DHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)nc1C 225904688 JJEYOFGLYYSGNH-GOSISDBHSA-N 322.449 3.959 0 40 DHAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC(Oc2ccc(F)cc2)CC1 245461007 MRKYFDAAAOKBTB-PIIMJCKOSA-N 317.404 3.632 0 40 DHAB FC(F)(F)[C@@H]1CCC[C@H](N[C@H]2CCO[C@]3(CCSC3)C2)C1 249276171 MBRAPPMKHXNEQR-ZOBORPQBSA-N 323.424 3.752 0 40 DHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1nnccc1Cl 256051981 LKFBRCGBWCEOGM-AWEZNQCLSA-N 317.776 3.604 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCN(Cc2ccnc3ccccc23)C1 257201853 AJHVJPPFSNFVRT-INIZCTEOSA-N 306.413 3.646 0 40 DHAB CC1(C)CCN(C(=O)[C@H](O)c2ccccc2)C[C@@H]1c1ccccc1 1598149273 VNLCENUDHGDBPP-RTBURBONSA-N 323.436 3.762 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)c(OC)c1 147241 NRHJMKGPCCDQBS-JXMROGBWSA-N 311.381 3.973 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 352714 FGENSCRHDKKOPP-MOPGFXCFSA-N 315.413 3.728 0 40 DHAB CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 543310 CSFSBBSLGDYJQJ-NZSAHSFTSA-N 319.420 3.821 0 40 DHAB CC(=O)n1c2ccc(Br)cc2c2[nH]c(=S)[nH]c21 1507824 NIBLLAVZGQGAJV-UHFFFAOYSA-N 310.176 3.603 0 40 DHAB c1ccc2c(c1)ccc[n+]2CCC[n+]1cccc2ccccc21 1668734 XKOPPJJSUOIQCM-UHFFFAOYSA-N 300.405 3.658 0 40 DHAB O=C(NCCc1ccc(F)cc1)c1cc2c(s1)CCCC2 2647212 WVUAWWOSAQURSU-UHFFFAOYSA-N 303.402 3.739 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c1 3231718 CDRZHGPKUAEDGX-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CC(C)=CC/C=C1\CC[C@H]2C(=O)N(c3ccccc3)NC(=O)[C@H]2C1 5480756 LAQLAJSRFNHUCR-IIXFAMJWSA-N 324.424 3.763 0 40 DHAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=S)o1 5817184 YGEHNQHQOLZSLV-LLVKDONJSA-N 321.402 3.541 0 40 DHAB Cc1ccc(Cl)c2c1N(Cc1ccccc1F)C(=O)C2=O 6661517 PSWQBLXEIQMMDQ-UHFFFAOYSA-N 303.720 3.517 0 40 DHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(F)cc3)oc2c1C 6811362 JEALGQBQCKJVJR-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB Cc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cc1 7400670 BMLMBEVSZKASIB-UHFFFAOYSA-N 314.385 3.757 0 40 DHAB Cc1ccc(C(=O)OCc2nc(-c3ccccc3)no2)cc1C 7605785 KILJOCOVFVTBPQ-UHFFFAOYSA-N 308.337 3.710 0 40 DHAB CC(=O)Nc1ccccc1OCc1coc(-c2ccccc2)n1 9995876 ROSBHMAGRNAMHP-UHFFFAOYSA-N 308.337 3.879 0 40 DHAB O=C(/C=C/c1cccs1)Nc1nnc(C2CCCCC2)o1 10881275 FSOGBSXTNOPHLE-CMDGGOBGSA-N 303.387 3.831 0 40 DHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 12919195 LLHPKNCXHWZIGI-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB COc1cc(NC(=S)Nc2ccc(F)cc2C)cc(OC)c1 13937336 BEBUMXLRYBQMBF-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cc1nc(Cn2c(C)nc3ccccc32)cc(NC2(C)CCC2)n1 19655846 AJWXYCKKCVZZJR-UHFFFAOYSA-N 321.428 3.846 0 40 DHAB O=C(Nc1c(-c2cccs2)nc2ncccn12)c1ccccc1 19861611 ZEZGGIFPYKTTPZ-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB O=C(C[C@@H]1NCCc2ccccc21)Nc1cccc(Cl)c1 20404867 YTWCWCMSJVIGPX-INIZCTEOSA-N 300.789 3.556 0 40 DHAB COc1ccccc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 26898188 WLNTZVSPHHYZHS-CYBMUJFWSA-N 306.406 3.507 0 40 DHAB CCCn1nc(C)cc1NC(=O)c1cccc(Br)c1 32647686 RCSPSUGBTQVZLD-UHFFFAOYSA-N 322.206 3.616 0 40 DHAB CC(C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 32895278 WAIMGWRSTPRZIR-LJQANCHMSA-N 307.397 3.815 0 40 DHAB COc1ccc(-c2noc(-c3ccc(Cl)c(N)c3)n2)cc1 35660451 SBTITRYZLSSWCS-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB C[C@@H](CCc1ccco1)N(C)C(=O)CCc1ccc(F)cc1 36614116 JRIXGKOVJHQAFO-AWEZNQCLSA-N 303.377 3.831 0 40 DHAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 38832815 WRNMXHAPFJPEKZ-PXNSSMCTSA-N 322.452 3.776 0 40 DHAB O=C(Nc1nc(-c2ccco2)cs1)c1ccc(F)cc1F 40111372 SNRWGLAQIFRJIR-UHFFFAOYSA-N 306.293 3.934 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NCCc2ccsc2)cc1 40153985 MPXQGBUMSYUFCQ-LBPRGKRZSA-N 321.467 3.596 0 40 DHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C)c1 41095068 ZBDRAZHHIWGYFV-UHFFFAOYSA-N 315.866 3.992 0 40 DHAB CCOC(=O)c1cc(Br)c2cc(Cl)ccc2n1 44628782 JZKPKKQJQBSKRU-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB Cc1cccc(C(=O)NCc2cccnc2OC2CCCC2)c1C 48264970 MUHGJLHRKRTIMI-UHFFFAOYSA-N 324.424 3.950 0 40 DHAB C[C@@H](Nc1cccc2c1OCCO2)C(=O)c1c[nH]c2ccccc12 55156630 BPTHRUNHVFRZHZ-GFCCVEGCSA-N 322.364 3.622 0 40 DHAB Cc1ccc(Sc2ccc(/C=C3/NC(=O)N=C3O)o2)cc1 59137811 AFCFLTKCBXPKIH-XYOKQWHBSA-N 300.339 3.760 0 40 DHAB C[C@H]1C[C@@H]1c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71889990 FXYPRXFGSDONIP-FZMZJTMJSA-N 318.804 3.943 0 40 DHAB Nc1cc(Cl)c(NC(=O)COc2ccccc2)cc1Cl 72229494 CODYHFLZFNVWGK-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB COc1cc(C(=O)N[C@H](C)c2ccccc2)nc2ccccc12 72329585 BLLVDVTVNRBOCV-CYBMUJFWSA-N 306.365 3.734 0 40 DHAB CC(C)Oc1ccc([C@H](O)CNCc2ccc(F)c(F)c2)cc1 76016702 JDXJURDSNSODOB-GOSISDBHSA-N 321.367 3.575 0 40 DHAB CC(C)n1cc(-c2ccc(I)cc2)cn1 85395011 UJPWONKTWZTION-UHFFFAOYSA-N 312.154 3.736 0 40 DHAB C[C@H](NCCc1nccn1Cc1ccccc1)c1ccsc1 95420008 KFHKSIOKKIIYEL-HNNXBMFYSA-N 311.454 3.886 0 40 DHAB Cn1c(-c2ccc([S@](C)=O)cc2)nc2cc(Cl)ccc21 95442578 WHUAYDIPIHKSRN-HXUWFJFHSA-N 304.802 3.631 0 40 DHAB COc1ccc(/C=C/c2ccc3cc(C(=O)O)ccc3n2)cc1O 95972657 JMDPFVZRTFAMDW-QHHAFSJGSA-N 321.332 3.818 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccsc1)c1ccccc1C 96105012 WTUWGNNOGMYZEB-KXPUMZMLSA-N 301.411 3.574 0 40 DHAB CC1(C)CC(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc21 96182955 FJKIGMZDEFJSLO-UHFFFAOYSA-N 315.417 3.761 0 40 DHAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCC(F)(F)F)C1 97014460 BRSSXUUEBBKWCU-NWDGAFQWSA-N 324.387 3.564 0 40 DHAB O=C(O)CCc1ccc(OCc2coc(-c3ccccc3)n2)cc1 97166009 JXVRHKOSQABMFG-UHFFFAOYSA-N 323.348 3.938 0 40 DHAB COc1ccc(C[S@](=O)CC[C@@H]2CCCCO2)cc1Cl 195579627 PDQYDVYDEVFPCF-RNODOKPDSA-N 316.850 3.557 0 40 DHAB Cc1nc(C2CC2)ncc1C(=O)Nc1cccc(Cl)c1C 222563388 AXOOIEDTUZFKPL-UHFFFAOYSA-N 301.777 3.877 0 40 DHAB Cc1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 225042019 KSEDHLJZRBZPIV-UHFFFAOYSA-N 311.406 3.973 0 40 DHAB COc1cccc2c1N([C@H](C(=O)O)C(C)C)C(C)(C)C[C@@H]2C 260613228 DZRXVEJZEHETKA-WFASDCNBSA-N 305.418 3.897 0 40 DHAB CN([C@@H]1C=CCCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 522209268 MNSYOXGMRFYXDZ-XFBWCDHKSA-N 312.240 3.992 0 40 DHAB O=C(CC(=O)c1ccccc1)Nc1ccc(Br)cc1 143152 XQHBLPBIBWFVJI-UHFFFAOYSA-N 318.170 3.661 0 40 DHAB O=c1oc(-c2ccccc2)nc2ccc(Br)cc12 363343 MNZCLMDWYBZFGY-UHFFFAOYSA-N 302.127 3.618 0 40 DHAB COc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 477672 WTPCKDZCPRUFCZ-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB CCc1ccc(/N=C2\S/C(=C\c3ccncc3)C(=O)N2C)cc1 1015085 YFUMNIDYRFWCJZ-SOBIRXOSSA-N 323.421 3.878 0 40 DHAB Cc1cc(N2CCCCC2)n2cc(-c3ccc(F)cc3)nc2n1 1395360 ODXIBXDKDHHSNW-UHFFFAOYSA-N 310.376 3.834 0 40 DHAB Cc1[nH]c2c(ccc3cccnc32)c1[C@H]1[C@@H](CC(N)=O)C1(C)C 1418656 UTXMYOXAUWPCNE-CZUORRHYSA-N 307.397 3.640 0 40 DHAB O=C(Nc1cc(Cl)ccc1Cl)NN1CCCCCC1 1574996 SVFSTKOKXZMLIF-UHFFFAOYSA-N 302.205 3.906 0 40 DHAB O=C(c1ccc(F)cc1)c1cccc(CN2CCSCC2)c1 2515287 ZFMXZKJLJPOSFV-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB Fc1ccc([C@H]2C[C@@H](C(F)(F)Cl)n3nccc3N2)cc1 2766620 NRRGYTCDQCVTCU-MNOVXSKESA-N 301.699 3.952 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 2774421 LPSYBSXWCLSWJC-HZPDHXFCSA-N 309.365 3.606 0 40 DHAB O=C(Cc1ccccc1)NCCSc1ccc(Cl)cc1 3104867 FDGMYPRQGBDWGG-UHFFFAOYSA-N 305.830 3.791 0 40 DHAB CC(=O)Nc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 3325617 RMMZAUCKYDGANM-UHFFFAOYSA-N 317.414 3.651 0 40 DHAB Cc1cccc(NC(=O)CN(C)Cc2ccc(F)cc2)c1C 3541940 MEJKRTBCKNFZPI-UHFFFAOYSA-N 300.377 3.513 0 40 DHAB COc1ccc(C)cc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163722 XONNYNWWRBEQSS-UHFFFAOYSA-N 322.364 3.615 0 40 DHAB CC(=O)N1[C@H](Nc2ccc(C)cc2)C[C@H](C)N1c1ccccc1 4711190 LHCPUKJQHJDUFQ-KXBFYZLASA-N 309.413 3.795 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(C)c1 5332482 JCBAQJCOHDMOEV-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB Cc1ccccc1[C@](C)(O)Cc1nccn1Cc1ccccc1 5504146 PYOMJEQDMMMXAA-HXUWFJFHSA-N 306.409 3.690 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1cc(C)ccc1C 5510911 LTQITDBLHRNVIG-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB CC(C)(C)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6305936 HZBZSZLDXSGOOB-UHFFFAOYSA-N 318.398 3.566 0 40 DHAB O=C(OCc1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 7761051 ROEQZDAPQDJYFK-UHFFFAOYSA-N 314.724 3.803 0 40 DHAB COc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1 9113824 RGKJYYYCZSZRME-UHFFFAOYSA-N 318.442 3.524 0 40 DHAB O=C(Nc1noc2ccccc12)c1ccccc1Br 9667568 QDWIHILWANMFKA-UHFFFAOYSA-N 317.142 3.843 0 40 DHAB Cc1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 10456720 METNXGSHUOHZAO-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12602898 IZPGVWGNJTYPGT-QGZVFWFLSA-N 321.380 3.549 0 40 DHAB CCONC(=O)c1ccccc1OCc1ccc(Cl)cc1 12763739 NGKSPMVPMFZTHV-UHFFFAOYSA-N 305.761 3.600 0 40 DHAB O=C(Nc1ccccc1NC(=O)c1ccco1)c1ccc(F)cc1 13425516 NBOLRNLAPKBFIJ-UHFFFAOYSA-N 324.311 3.923 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC 14388551 KOYDBNSZADSEHP-NSHDSACASA-N 319.788 3.848 0 40 DHAB CC(C)OCCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14399767 VKQHXTACPNSCCM-HNNXBMFYSA-N 321.461 3.683 0 40 DHAB Cc1ccc2c(-c3nnnn3-c3ccc(F)cc3)c[nH]c2c1C 16348817 ZUYBCSCTFXLJBC-UHFFFAOYSA-N 307.332 3.567 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1N 19266424 XBPTYVJHDRQTBL-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCCC1 20481083 SCMHBHMURWMZDL-UHFFFAOYSA-N 304.242 3.849 0 40 DHAB O=C(CCc1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 23384047 ZCYZWZLSGHJESG-NRFANRHFSA-N 323.436 3.591 0 40 DHAB Cc1ccc(Cn2cc(NC(=O)c3ccc(C)s3)cn2)cc1 27920084 OKZVNULGNHVRTC-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCCC1CCCC1 31164675 TZNDTOALDKZWRE-CQSZACIVSA-N 304.434 3.944 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Cl)cn2)c2ccc(F)cc2n1 31885735 UZVQXTSNEAICER-UHFFFAOYSA-N 315.735 3.983 0 40 DHAB CC1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 32755182 SWJUFYCLXTUHLH-UHFFFAOYSA-N 321.218 3.803 0 40 DHAB COc1ccc2nc(C)c(C(=O)N(C)Cc3ccccc3)cc2c1 32863613 BHJLWYCKIXITBN-UHFFFAOYSA-N 320.392 3.824 0 40 DHAB COc1ccc(C(=O)NCCCO[C@@H](C)c2ccccc2)cc1 32907543 BOODCENDSDRHGO-HNNXBMFYSA-N 313.397 3.593 0 40 DHAB CC(C)COc1ccccc1[C@@H]1CC(O)=Nc2nc(N)sc21 36360609 RJSXUSRUDYWTAQ-NSHDSACASA-N 317.414 3.884 0 40 DHAB CCOc1ccccc1CCC(=O)Nc1ccc(Cl)cn1 40007589 LVAXUQZDJPLBSH-UHFFFAOYSA-N 304.777 3.705 0 40 DHAB CCc1ccc(-c2csc(NC(=O)CCCOC)n2)cc1 40129063 LRINWOKANXQJNI-UHFFFAOYSA-N 304.415 3.738 0 40 DHAB Cc1ccc(NC(=O)c2cc(N)ccc2N(C)C)c(Cl)c1 40302121 TUTIBCKPVNLNML-UHFFFAOYSA-N 303.793 3.549 0 40 DHAB Clc1cc(Br)ccc1OCC[C@H]1CCCNC1 42772256 CKAPMCKFVWBRDN-SNVBAGLBSA-N 318.642 3.871 0 40 DHAB Fc1ccc(C2=C[C@H](c3ccc(F)cc3)NC(=S)N2)cc1 51329840 FJTBHCRDQBCHIF-CQSZACIVSA-N 302.349 3.525 0 40 DHAB CCn1ccnc1CN[C@H](C)c1ccccc1Br 51921805 XQXAQBCJPWOUSF-LLVKDONJSA-N 308.223 3.516 0 40 DHAB CC[C@H](C)N(C)C(=O)Nc1cccc(COCCOC(C)C)c1 62415377 WYBVWNQAZDAEIB-HNNXBMFYSA-N 322.449 3.890 0 40 DHAB COc1ccc(N(C)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 63832518 MAQBOEOFJKNUCT-UHFFFAOYSA-N 324.380 3.770 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cnn(Cc3ccncc3)c2)C1(C)C 65566163 XNUZINIUJVYDOW-DLBZAZTESA-N 324.428 3.503 0 40 DHAB Cc1oc(-c2ccsc2)nc1CN[C@H](C)[C@H](C)n1cccn1 71882093 JLCKUUIPVBODSH-NEPJUHHUSA-N 316.430 3.647 0 40 DHAB O=C(NCCC1=CCCCC1)c1cn[nH]c1-c1cccs1 72329439 NTVZOKYTETUHDU-UHFFFAOYSA-N 301.415 3.759 0 40 DHAB COc1ccc(-c2ccnc3c(-c4ccccc4)cnn23)c(O)c1 72403865 QOBVJSMSJGGZHX-UHFFFAOYSA-N 317.348 3.778 0 40 DHAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 73652498 UDCUFWXNFAVXPZ-INIZCTEOSA-N 304.434 3.518 0 40 DHAB CCc1noc(CN2CCC[C@H](c3nc(C(C)C)cs3)C2)n1 83830514 KBIPKHOHFIQBAT-LBPRGKRZSA-N 320.462 3.592 0 40 DHAB COc1ccc(-c2nc(C)c([C@@H](C)N[C@H]3CCOC3)s2)cc1 89724327 WCDVKXCCBYYWGA-RISCZKNCSA-N 318.442 3.567 0 40 DHAB Cc1ccc2c(c1)[C@H](N)CC21CCN(C(=O)OC(C)(C)C)CC1 91302966 KGAVNJKNZBBSRY-MRXNPFEDSA-N 316.445 3.667 0 40 DHAB in-vitro COc1ccc(Br)cc1C[S@@](=O)C1CCCC1 95416373 ZBYNKPKSMRQVFX-KRWDZBQOSA-N 317.248 3.649 0 40 DHAB C[C@@H](Cc1ccsc1)NCc1ccc(Cn2ccnc2)cc1 95420145 DZMVJUKUSZYZFK-HNNXBMFYSA-N 311.454 3.714 0 40 DHAB N#CN(Cc1nnc(C2CCC2)o1)c1ccc(F)c(Cl)c1 95971548 UXJMQZAMLZYOPX-UHFFFAOYSA-N 306.728 3.617 0 40 DHAB COc1ccc(N2Cc3nc4ccccc4c(C)c3C2=O)cc1 96319286 BIBWBHNYHPIMGA-UHFFFAOYSA-N 304.349 3.712 0 40 DHAB CC[C@@H](SCc1nc(CCOC)no1)c1ccc(F)cc1 96415097 WJQRHUSUKCCUQO-CYBMUJFWSA-N 310.394 3.782 0 40 DHAB CC(C)=CCSc1ccccc1C(=O)NC1CCC(O)CC1 96420605 GICXGDCNTMVORC-UHFFFAOYSA-N 319.470 3.778 0 40 DHAB Cc1nc(C)c(CN[C@H](C)C[C@H](O)c2ccc(F)cc2)s1 96486374 ZATPWJOVCLIQBD-BMIGLBTASA-N 308.422 3.501 0 40 DHAB Cc1nc(C[S@@](=O)[C@@H]2CCc3c(Cl)cccc32)oc1C 97083670 GROXOPDYEQXZOC-VLIAUNLRSA-N 309.818 3.881 0 40 DHAB O=C(NCc1ccc2ccccc2c1)N[C@@H]1CCO[C@@H](C2CC2)C1 97379120 GFJRXPMQEDMCDV-RTBURBONSA-N 324.424 3.597 0 40 DHAB Oc1ccc(OCCC(F)(F)C(F)(F)Br)cc1 98210636 NJLIFUDHGDDCFS-UHFFFAOYSA-N 317.076 3.784 0 40 DHAB O=S(=O)(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2ccccc2c1 100950339 XMNUTAZIQGENFZ-XYPHTWIQSA-N 315.438 3.554 0 40 DHAB CC(C)N(Cc1csc([C@@H]2CCCO2)n1)[C@H]1CCCC[C@@H]1O 108373122 BODNXNGDKXODRO-JYJNAYRXSA-N 324.490 3.509 0 40 DHAB Cc1cccc(Oc2ccccc2CNC(=O)C2=CCOCC2)c1 193179573 SFWHBYVMAYCLEN-UHFFFAOYSA-N 323.392 3.750 0 40 DHAB Cc1ccc(N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 219859988 BPTSNAOWGJQDEW-UHFFFAOYSA-N 320.436 3.801 0 40 DHAB Cc1nc(C2CC2)ncc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 222568163 UPNJFUMZGVFDCT-JTQLQIEISA-N 315.804 3.807 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1 224038162 GSVKKVMBLZKLPD-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB Cc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)nc1 225872592 MKYYXQLFTPAMAP-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB O=C(CCCn1cc(-c2ccccc2)cn1)NC1CCCCC1 227164973 BHWXWRLTDKMXDN-UHFFFAOYSA-N 311.429 3.779 0 40 DHAB COc1cc(C=O)ccc1Oc1c(F)c(F)c(F)c(F)c1F 408735142 KCMFXQCRKXZTCL-UHFFFAOYSA-N 318.197 3.996 0 40 DHAB Cc1cc([C@@H](O)CNC(=O)c2cccc3ccccc23)c(C)o1 1565519423 HMTXNLPSPHDCQR-SFHVURJKSA-N 309.365 3.513 0 40 DHAB CC(C)c1nccn1S(=O)(=O)c1cccc(Cl)c1Cl 49264 MKYZVOTXFVKJBV-UHFFFAOYSA-N 319.213 3.550 0 40 DHAB COc1cccc(C(=O)Nc2cccc(Cl)c2C)c1OC 496535 YSKZUNOPGYQJFX-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB Oc1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)o2)cc1 2236505 MXVPANBPZWPQGO-QMMMGPOBSA-N 317.197 3.728 0 40 DHAB COc1ccc(CNC(=O)CSc2cc(C)ccc2C)cc1 2645727 ONOAEBWVXJXGLX-UHFFFAOYSA-N 315.438 3.721 0 40 DHAB O=C1/C(=C/c2cccc(Br)c2)N=C2CCCCCN12 3216663 SIWCTRSEFAXGKY-RAXLEYEMSA-N 319.202 3.605 0 40 DHAB CC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 3608037 CUAFEEJQDDGPMO-UHFFFAOYSA-N 303.745 3.560 0 40 DHAB CCC(CC)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4223301 WCWPEPKKNIZVOY-UHFFFAOYSA-N 315.442 3.994 0 40 DHAB Cc1nc(NCCCCCC(=O)O)c2c(C)c(C)sc2n1 4476213 NNIYVNVIGOGSCJ-UHFFFAOYSA-N 307.419 3.673 0 40 DHAB Cc1cc2c(=O)oc(-c3ccccc3Br)nc2s1 4910288 ANAMDTZYLYXCBT-UHFFFAOYSA-N 322.183 3.987 0 40 DHAB CC(=O)N1CCCc2cc(NC(=O)c3cccc(C)c3)ccc21 5373706 MNROAUUWAQEARC-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB S=C(NCc1ccc(Cl)nc1)Nc1cccc(Cl)c1 6925983 QEKZTCXBGRJRDB-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB COc1cccc(NC(=S)N[C@H](C)c2ccc(F)cc2)c1 7584005 GMQXELOEKBQMCW-LLVKDONJSA-N 304.390 3.882 0 40 DHAB CC(C)[C@H](C(=O)NCc1ccccn1)c1ccc(Cl)cc1 8073117 NBGXLJWFHPUPAX-INIZCTEOSA-N 302.805 3.791 0 40 DHAB Cc1cc(C)cc(N(Cc2cccc(Cl)c2)S(C)(=O)=O)c1 8301040 WHKTYCNTEYFFAE-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB CC[C@@H](CO)NCc1ccc(OCc2ccccc2Cl)cc1 8326373 JZCGZMCXFCPWRC-INIZCTEOSA-N 319.832 3.780 0 40 DHAB COc1ccc(C)cc1CCNCc1cnn(-c2ccccc2)c1 8329178 ROTNIPRYVCWIJL-UHFFFAOYSA-N 321.424 3.522 0 40 DHAB O=C1c2ccccc2N[C@]2(CCSC2)N1c1ccc(F)cc1 8747635 RZAYHOPCEQQTMT-QGZVFWFLSA-N 314.385 3.731 0 40 DHAB CC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)c(C)c1 9356853 KCKHCLXMDFJHON-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB Cc1ccc(NC(=S)NCCc2ccc(O)cc2)c(C)c1 9504949 BYKMRUYEKBLPMM-UHFFFAOYSA-N 300.427 3.538 0 40 DHAB COc1cccc(/C=C/C(=O)O)c1OCc1ccc(F)cc1 11955708 QOCCYNLOCNCWBY-JXMROGBWSA-N 302.301 3.511 0 40 DHAB CC(C)Oc1ccc([C@@H](NC2CCN(C)CC2)C(C)C)cc1 12322072 ICSMDEAEGFZUBX-IBGZPJMESA-N 304.478 3.855 0 40 DHAB COc1ccc([C@H](NC(=O)Cc2ccsc2)C2CC2)cc1 12745805 USBQCLBMWIBKKQ-QGZVFWFLSA-N 301.411 3.567 0 40 DHAB C[C@@H](NC(=O)CN(C)Cc1cccc(Cl)c1)c1cccs1 12782646 PPOYOOQUMQPZAT-GFCCVEGCSA-N 322.861 3.711 0 40 DHAB C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 13328870 KIDULWHWSZPIJK-MRVPVSSYSA-N 309.774 3.621 0 40 DHAB Cc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccccc2C)no1 13495377 IPKPQIWPZDBOJA-CQSZACIVSA-N 321.380 3.844 0 40 DHAB Cc1cnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 13732816 CCZDZXCSWXJQMI-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB Cc1cccc(Cc2c(C)nn(-c3nc4ccccc4o3)c2O)c1 14607874 RYGVLUJYVGSYOW-UHFFFAOYSA-N 319.364 3.927 0 40 DHAB Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1 14683701 PITNQQCHFAYFEK-UHFFFAOYSA-N 322.408 3.870 0 40 DHAB Cc1nc2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ccc2n1C 19656374 NFWKOTJVDVPHLH-QGZVFWFLSA-N 319.408 3.511 0 40 DHAB CCc1ccc(-c2nc(NC(=O)[C@H]3CCCO3)sc2C)cc1 20212588 NEPUOCJSPRZZCZ-CQSZACIVSA-N 316.426 3.798 0 40 DHAB Cc1cc(COC(=O)c2csc(-c3ccsc3)n2)no1 25188302 LMEBIODMIPDLBU-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB CSc1ncc(Cl)c(-c2nnc(-c3ccc(C)cc3)o2)n1 27995608 FSXSDHRMTJZUQF-UHFFFAOYSA-N 318.789 3.877 0 40 DHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)cc1C 28744469 GSFRACFQLXSCGV-CQSZACIVSA-N 310.397 3.945 0 40 DHAB Cc1nc(-c2ccncc2)sc1C(=O)NC1CCCCC1 31868048 ZUVVQJNDPBMZAO-UHFFFAOYSA-N 301.415 3.576 0 40 DHAB CCc1ccc([C@H](C)NC(=O)Cc2ccc(NC(C)=O)cc2)cc1 32736332 GYKFVPIFYJTXJL-AWEZNQCLSA-N 324.424 3.627 0 40 DHAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O 36635449 BGXIRLHCDFLHJE-GOSISDBHSA-N 322.408 3.610 0 40 DHAB Cc1ccsc1C(=O)NCc1csc(Br)c1 40090936 VPVVHPBWORETSM-UHFFFAOYSA-N 316.245 3.811 0 40 DHAB CCC[C@H](C(=O)NCCCn1nc(C)cc1C)c1ccccc1 46866868 CDXLROVJYRQOAO-SFHVURJKSA-N 313.445 3.590 0 40 DHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccccc1 49466769 UVYDAWWNLLEVJU-MSOLQXFVSA-N 323.392 3.708 0 40 DHAB CC(C)c1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1 49550711 FQCBGWWJIAAIKM-HNNXBMFYSA-N 301.415 3.968 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)Cn2cc(C)c3ccccc32)on1 50581161 ASKGCEUBESGJGE-QGZVFWFLSA-N 323.396 3.610 0 40 DHAB Cc1cc2nc(NCCc3ccc(O)cc3)c3ccccc3n2n1 54389145 CZSJQVZHSZNMPE-UHFFFAOYSA-N 318.380 3.551 0 40 DHAB CN(C)C(=O)c1cccc(CSc2cnc3ccccc3n2)c1 58145768 NALBONJSRJTUGK-UHFFFAOYSA-N 323.421 3.624 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CN(c2cc(Cl)nc(N)n2)C2CC2)o1 58344416 FWOMNXJRWRFNSG-SKDRFNHKSA-N 318.808 3.598 0 40 DHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1nccc2ccccc12 58378236 KPLKDZDDBAEJKN-WMLDXEAASA-N 312.413 3.560 0 40 DHAB Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cccc2cnccc12 65549784 AOAHIBMUEGFNIN-SFHVURJKSA-N 320.396 3.942 0 40 DHAB COc1ccc(CN(C)C(=O)Cc2cccc(Cl)c2)cc1 67791127 XBEOVQNGGAAGAG-UHFFFAOYSA-N 303.789 3.550 0 40 DHAB O=C(Nc1ccc(Cl)cc1F)N1CCc2ccc(O)cc2C1 69570189 YXRDFLWJSUZOCL-UHFFFAOYSA-N 320.751 3.775 0 40 DHAB Cc1n[nH]cc1CN[C@H](COc1ccccc1)c1ccccc1 72271481 RGYMEMZGNCKREV-LJQANCHMSA-N 307.397 3.628 0 40 DHAB CC[C@H]1CCN(C(=O)c2csc(-c3ccccc3F)n2)C1 79070436 KGVGKUHHIDKVNV-NSHDSACASA-N 304.390 3.821 0 40 DHAB COc1ccc(NC(=O)NCc2ncc(C(C)(C)C)o2)cc1C 84093638 XDPVAGKSGCHDHF-UHFFFAOYSA-N 317.389 3.611 0 40 DHAB CC(C)c1nn(C)c(Cl)c1CN[C@H]1CCc2ccccc2C1 84622403 ZNACLXOVMHQUSC-HNNXBMFYSA-N 317.864 3.844 0 40 DHAB Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1-c1ncc[nH]1 89526257 WLMIFBOWUNCFPI-NSHDSACASA-N 324.384 3.814 0 40 DHAB CCCOc1c(C)cc(-c2noc(C3CCNCC3)n2)cc1C 95095370 MSNDQYNKGIVKNL-UHFFFAOYSA-N 315.417 3.609 0 40 DHAB Oc1ccccc1SCc1nnc(-c2cccc(F)c2)o1 95406449 WMHRSCMIUMHADF-UHFFFAOYSA-N 302.330 3.874 0 40 DHAB CSc1ccc(CNc2cccc(C[S@@](C)=O)c2)cc1 95429155 GUXNCIXSKYHWMZ-FQEVSTJZSA-N 305.468 3.899 0 40 DHAB COc1ccc2cc(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)ccc2c1 95634436 OUSOPRRVFXMCMP-SJORKVTESA-N 310.349 3.698 0 40 DHAB Fc1ccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 95635410 IDOYQIDBJKFRID-UHFFFAOYSA-N 309.388 3.629 0 40 DHAB CCCn1cc(NC(=O)Nc2ccnn2[C@H](C)CC(C)C)cn1 95942253 BQSQHKBEBBLVAQ-CYBMUJFWSA-N 318.425 3.741 0 40 DHAB Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccccc2C)no1 95998805 RPPKYBOMFKNYBO-OAHLLOKOSA-N 314.389 3.836 0 40 DHAB O=C(N[C@@H](CO)c1ccco1)N(c1ccccc1)c1ccccc1 96007722 CJLNLDPPXBVJBZ-KRWDZBQOSA-N 322.364 3.861 0 40 DHAB Cc1nc(CN2CCCC23CCN(CC2CCC2)CC3)cs1 96075299 WVJPGNWDBQYJHW-UHFFFAOYSA-N 319.518 3.682 0 40 DHAB Cc1ccc(C[C@@H](C)NC(=O)N(C)[C@@H](C)c2ccccn2)s1 96415582 XONAYBRHUURQFK-OCCSQVGLSA-N 317.458 3.785 0 40 DHAB CCOC(=O)c1cccnc1SCc1ncc(C(C)C)o1 96430237 VOPCNUFMUQWKIB-UHFFFAOYSA-N 306.387 3.662 0 40 DHAB O=C(c1ccnnc1)N1CCCCC[C@@H]1/C=C/c1cccs1 97084421 UZGXJKRLSQETTC-MVGZEHJDSA-N 313.426 3.636 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)C2CCCCC2)CC1 100809824 BROSVZDRBMGSTA-GASCZTMLSA-N 324.465 3.519 0 40 DHAB O=C(O)C1=C[C@H](/C=C/c2ccccc2)n2c(nc3ccccc32)N1 102243893 UMDQFHZKCIQWDW-VNDWYCCKSA-N 317.348 3.685 0 40 DHAB Cc1cc(=O)c(OCc2nc(-c3cccs3)oc2C)co1 194683515 MBOPBFYPELDPEC-UHFFFAOYSA-N 303.339 3.552 0 40 DHAB CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 224675191 DDQLNEPJYJEWKE-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB S=C(NCCCSCc1ccccc1)Nc1ccncc1 225599411 DFYFVDKBFLAITO-UHFFFAOYSA-N 317.483 3.692 0 40 DHAB CCO[C@](C)(C(=O)Nc1ccc(OC)c2ccccc12)C1CC1 225836959 BLLHNKITBDXTFN-IBGZPJMESA-N 313.397 3.992 0 40 DHAB CCc1ccccc1NC(=O)c1ccc2c(c1)nc(CC)n2C 225896322 NIZXIMRGKNVEMM-UHFFFAOYSA-N 307.397 3.950 0 40 DHAB CCCOC1(C(=O)Nc2ccc(OCC)nc2)CCCCC1 225909461 MEWLTEFWXQOSLX-UHFFFAOYSA-N 306.406 3.548 0 40 DHAB Cc1ccc(OCC(=O)Nc2cc(Cl)c(C)cc2N)cc1 226358769 IIVSRNIABMJCPF-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1nc(-c2cc(C[C@H]3CCCN(C)C3)ccn2)sc1C 257279920 OISMIOXNLLWWAW-OAHLLOKOSA-N 301.459 3.706 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3csc(C(C)C)c3)C2)n1 257334847 YHPQRCKZGAOIHJ-CYBMUJFWSA-N 317.458 3.923 0 40 DHAB CCOc1cc(C=O)c(Br)cc1O[C@@H](C)CC 408845537 GJZNOBJXFGECCS-VIFPVBQESA-N 301.180 3.838 0 40 DHAB C[C@@H]1C[C@H](N[C@H]2CCc3ccc(F)cc32)C(=O)N1c1ccccc1 539086878 BLKDHFNVMHRISG-VMDGZTHMSA-N 324.399 3.597 0 40 DHAB C[C@H]1CN(C[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H](C)O1 575421950 DDYRRJSHTGELEI-LMWOUKEDSA-N 324.262 3.662 0 40 DHAB Cc1ccc(Cc2noc(-c3noc4c3CCCC4)n2)s1 575955769 ZABRANJJYXBLCH-UHFFFAOYSA-N 301.371 3.564 0 40 DHAB O=C(CCc1cccc(Cl)c1)NCc1ccc(C2CC2)nc1 1565522794 QQKVNUPRKXOEJU-UHFFFAOYSA-N 314.816 3.861 0 40 DHAB Cc1ccc(C)c(C(=O)N2CCC[C@H](COc3ccncc3)C2)c1 1775971344 IRJZEXFWCSDIHF-KRWDZBQOSA-N 324.424 3.630 0 40 DHAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 316026 RCCZAXFZIZYXOQ-UHFFFAOYSA-N 315.394 3.666 0 40 DHAB Cc1nc2c(NCc3ccc(Cl)cc3Cl)ncnc2[nH]1 1845555 NROMEPAZSWXQQQ-UHFFFAOYSA-N 308.172 3.580 0 40 DHAB CCOC(=O)c1cc(Br)c(C)c(Br)c1 2525485 PUBRFCQNCOXASI-UHFFFAOYSA-N 321.996 3.697 0 40 DHAB COc1ccc(-n2cnnc2SCc2ccc(C)cc2)cc1 2634168 CPFBLVONIGIBPR-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB c1nc(Nc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCC3 3295504 KQTPVSPZJKYFRC-UHFFFAOYSA-N 311.366 3.652 0 40 DHAB COc1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 3422869 NKDOVDHGGFENRU-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB CCC[C@@H](C)NC[C@H](O)COc1ccc(OC)cc1C(C)(C)C 3434369 VHMWXAMSFWEUEL-CABCVRRESA-N 323.477 3.511 0 40 DHAB Cc1ccc(C(=O)OCC(=O)NC2CCCCCCC2)cc1C 3443539 ARQPCAXSZAKIGY-UHFFFAOYSA-N 317.429 3.689 0 40 DHAB CCSc1nnc(NC(=O)c2ccccc2SC)s1 3592250 QJSASKWXZKYWNP-UHFFFAOYSA-N 311.457 3.624 0 40 DHAB CCCSc1nnc(-c2c[nH]c3ccccc23)n1CCOC 4138635 AGZPUKOABLRCSJ-UHFFFAOYSA-N 316.430 3.575 0 40 DHAB Cc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1 4330201 BPVXOWYLDITTBU-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB Cc1ccccc1-c1nnn(Cc2ccccc2C(F)(F)F)n1 5169733 JKJYQDSCNLMFAC-UHFFFAOYSA-N 318.302 3.716 0 40 DHAB O=C(Nc1ccc2c(c1)ncn2CCc1ccccc1)C1CC1 5482847 MTLDHMDMHLLCJE-UHFFFAOYSA-N 305.381 3.628 0 40 DHAB c1cncc(-c2nc(N3CCCC3)c3c4c(sc3n2)CCC4)c1 6399407 XKSOCOIXFACKDK-UHFFFAOYSA-N 322.437 3.842 0 40 DHAB Cc1ccc(OCCSc2nnc(-c3ccccc3)[nH]2)cc1 7471545 WYTHOQWLENSMSP-UHFFFAOYSA-N 311.410 3.951 0 40 DHAB CC(=O)Nc1ccccc1OCc1ccc(Br)cc1 7895507 UZUVOOJPZCRTQS-UHFFFAOYSA-N 320.186 3.987 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)Nc1cccc2ncccc12 7990864 LRQCFQSSQWEXAJ-UHFFFAOYSA-N 318.376 3.741 0 40 DHAB C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1ccc(F)cc1 8532353 UBAKZXKLIZCUSY-LLVKDONJSA-N 322.330 3.563 0 40 DHAB O=C(Nc1ccccn1)c1ccc(COc2ccccc2)cc1 10056639 AQVMJNBWACULGA-UHFFFAOYSA-N 304.349 3.913 0 40 DHAB CCCc1cc([C@H]2CCCCCN2C(=O)c2ccco2)no1 12185821 BUTSKJNXVNBYGL-OAHLLOKOSA-N 302.374 3.978 0 40 DHAB O=C(Nc1cccnc1)c1cccc(NC(=O)c2cccs2)c1 12533165 BYXJPMZBMRIJSD-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(OC(F)(F)F)cc1 12538626 YDXKHFMUCKANQF-UHFFFAOYSA-N 321.258 3.714 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)c1cc(Cl)ccc1O 13006238 GPBJSJKURLHXDJ-UHFFFAOYSA-N 319.788 3.505 0 40 DHAB Cc1ccc(Oc2ccccc2NC(=O)c2cnn(C)c2)cc1 14182712 ZXXVJUJTKNXGHS-UHFFFAOYSA-N 307.353 3.773 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(O)nc2ccccc12 14423460 PLMWXKMVCQUTSH-UHFFFAOYSA-N 318.376 3.842 0 40 DHAB Cc1ccc(CSCCNC(=O)c2ccccc2F)cc1 17603915 REVDLXWMEAGDFM-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB Cc1ccccc1CN[C@@H](c1cccc(F)c1)c1nccn1C 30645418 WSYIJOHOAYLYLO-SFHVURJKSA-N 309.388 3.747 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1C 32930938 FHUSUZQZWDXTSC-UHFFFAOYSA-N 305.381 3.670 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)cc1 33199833 OZPLRFDYRTWQDK-UHFFFAOYSA-N 320.396 3.817 0 40 DHAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1 38772578 FRCBLFOKDPPHBN-LLVKDONJSA-N 305.761 3.755 0 40 DHAB Cc1nc2ccc(NCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2s1 40012029 XFJFBNSAVPHXIW-TXEJJXNPSA-N 317.458 3.806 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc2ccccc2c1 45201343 HVPHRYIQJUPVJH-OAHLLOKOSA-N 305.377 3.924 0 40 DHAB CCOCCCC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 48226860 OMFSKVKMJHKNNL-INIZCTEOSA-N 318.461 3.674 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@H](C)N2CCc3ccccc32)c(C)c1 48339772 JBZRHGAGICQNQZ-KRWDZBQOSA-N 322.452 3.713 0 40 DHAB CC(C)OCc1cccc(CNC(=O)c2cccc(F)c2)c1 48364127 HVJZDCPJDSRNLQ-UHFFFAOYSA-N 301.361 3.681 0 40 DHAB Cc1ccnn1-c1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1 71186446 SGNNLXGQSNSLTN-UHFFFAOYSA-N 316.364 3.914 0 40 DHAB Fc1cccc(CN2CCCN(Cc3cccc(F)c3)CC2)c1 72202849 FMFCARIAIOFCPR-UHFFFAOYSA-N 316.395 3.673 0 40 DHAB Cc1cccc(-c2cccc(C(=O)NCc3cnn(C)c3C)c2)c1 72243303 VDCSLKXWNNOHPN-UHFFFAOYSA-N 319.408 3.634 0 40 DHAB CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1(C)C 72304563 MEAWEWPLQRSVCF-QAPCUYQASA-N 301.386 3.708 0 40 DHAB CC(=O)N1CCC[C@H]1c1cccc(NCc2ccccc2F)n1 72365805 YVPPVMFKJBLUIO-KRWDZBQOSA-N 313.376 3.516 0 40 DHAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccnc(C)c3)o2)cc1 73300547 JULROSFGAZKFCF-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(N(C)C)cc1 75015563 ZNRMWBLLFXPLJL-UHFFFAOYSA-N 321.424 3.515 0 40 DHAB CC(C)(C)c1cc(C(=O)N(CC2CC2)C2CCCCC2)[nH]n1 75560407 QFENMDNWLFDWNT-UHFFFAOYSA-N 303.450 3.892 0 40 DHAB Nc1ccccc1-c1nc(-c2ccc(OC(F)F)cc2)no1 89262372 PRNJQKLAYPVIDE-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB Cn1cnnc1-c1cccc(NCc2cc3cc(F)ccc3o2)c1 89761959 NGAFUQMSSGACEJ-UHFFFAOYSA-N 322.343 3.980 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89969150 ZZAUZUMEHNMNJA-CWFSZBLJSA-N 323.436 3.828 0 40 DHAB FC(F)Cn1cc(NCc2cccc(-c3cccnc3)c2)cn1 90189659 ABQCOTYXNMORHC-UHFFFAOYSA-N 314.339 3.822 0 40 DHAB C[C@H](NCc1nc(C2CC2)cs1)c1ccc2c(c1)OCO2 90460447 YCAZBCQPGCUQHE-JTQLQIEISA-N 302.399 3.600 0 40 DHAB Cc1ccc(C)c(OCCOC(=O)C(C)(C)c2cccnc2)c1 95454624 QDZCLDSFXSSJEB-UHFFFAOYSA-N 313.397 3.598 0 40 DHAB Cc1cc([C@H](C)NC(=O)NC[C@H](O)c2cccs2)c(C)s1 95960672 COOHSUNZZSTNMX-GWCFXTLKSA-N 324.471 3.520 0 40 DHAB C[C@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 95988671 DUGRLGVSAQDDHK-MDZLAQPJSA-N 315.335 3.698 0 40 DHAB CCCc1ncc(C(=O)N2CCC(OC3CCCC3)CC2)s1 96425092 OOPYWWHNSDWVOS-UHFFFAOYSA-N 322.474 3.659 0 40 DHAB CC(=O)Oc1c2c(c(OC(C)=O)c3c1[C@H]1C=C[C@H]3C1)[C@H]1C=C[C@@H]2C1 100930720 LPIARUDKPDDZRQ-XDQVBPFNSA-N 322.360 3.819 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1 113960532 LGVFZTRIAZBKAO-CQSZACIVSA-N 309.475 3.719 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1[C@H](C)CCC[C@H]1C 217791743 ZZCSTKNPMXZFKC-HZPDHXFCSA-N 319.445 3.930 0 40 DHAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COC 224687559 KYIHPDVQMDFPKW-UHFFFAOYSA-N 313.397 3.504 0 40 DHAB COc1ccc(Cl)cc1C[C@@H](Oc1ccc(C)cc1)C(=O)O 225119873 XNJAGJGMHALCTB-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1ccc(F)cc1 225248660 SKHDMZFJDVCVDH-OQLLNIDSSA-N 318.373 3.618 0 40 DHAB C[C@@]1(c2nc(-c3ccccc3OC(F)(F)F)no2)CCCO1 273724018 OHLNVIUOFUVCGB-ZDUSSCGKSA-N 314.263 3.661 0 40 DHAB Oc1cc(-c2nc([C@H]3CCC(F)(F)C3)no2)cc(C2CC2)n1 329474015 BMEGONFNJBUJKR-VIFPVBQESA-N 307.300 3.617 0 40 DHAB O=C(NCC[C@@H]1CCCOC1)N1CCC[C@H]1CC1CCCC1 528096557 JAVXATQQZQVFCT-IRXDYDNUSA-N 308.466 3.557 0 40 DHAB Cc1oc(C(C)C)cc1C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 581435701 HVWSWOPWHZSUPJ-GFCCVEGCSA-N 315.417 4.440 0 40 DHAB O=C(O)c1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)o1 582306975 OFORSUIENTTZTG-LBPRGKRZSA-N 317.307 3.532 0 40 DHAB Clc1cnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)nc1 673933005 LVZHAUZTFQCFDK-LLVKDONJSA-N 314.776 3.655 0 40 DHAB CC[C@H](C)Oc1ccc(-c2noc([C@H]3C[C@H]4CC[C@H]3O4)n2)cc1 680752810 AHTWQZNKSUCAGL-BJKJVOPESA-N 314.385 3.949 0 40 DHAB Cc1cc(C)cc(C[C@H](CC(=O)O)C(=O)Nc2ccccc2)c1 297077 IHNVKIUGXGRGDJ-MRXNPFEDSA-N 311.381 3.576 0 40 DHAB COc1cccc(C(=O)Nc2nc3ccccc3s2)c1OC 496469 VZPBDIXWWHPJDN-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB CCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1 1337954 XALDFKAWLALTHN-UHFFFAOYSA-N 316.788 3.858 0 40 DHAB CN1CCC2(CC1)O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2 1577617 VDZYAJURYXVGDG-RTBURBONSA-N 309.409 3.938 0 40 DHAB Cc1cc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)n1 1607983 ZGISWAPMFGULSM-UHFFFAOYSA-N 308.341 3.683 0 40 DHAB CCCCCCc1nnc(NC(=O)Cc2ccccc2)s1 2289515 WUXVQMVJEYVIFG-UHFFFAOYSA-N 303.431 3.842 0 40 DHAB CCOC(=O)c1cc(-c2ccc(C)o2)nn1-c1cccc(C)c1 2637928 SZJIKIUKZNBCPC-UHFFFAOYSA-N 310.353 3.926 0 40 DHAB Cc1cc(OC[C@@H](O)CN2CCCC[C@@H]2C)ccc1C(C)C 2659890 YUQUOARDRCHJKB-IRXDYDNUSA-N 305.462 3.733 0 40 DHAB CCN(C(=S)NC(=O)/C=C/c1cccs1)c1ccccc1 3141491 DEPBNJBZLPETOA-ZHACJKMWSA-N 316.451 3.689 0 40 DHAB O=C(CN1CCCc2ccccc21)Nc1ccc2c(c1)CCC2 3405091 KCIJDWMZAKSGEL-UHFFFAOYSA-N 306.409 3.567 0 40 DHAB CCCCc1ccc(NC(=O)CSc2nncs2)cc1 3413486 XNRPWFYJPDVJQG-UHFFFAOYSA-N 307.444 3.612 0 40 DHAB COc1ccccc1CNC(=O)CCSc1ccc(F)cc1 3614845 DRHLUSFAMBCTGZ-UHFFFAOYSA-N 319.401 3.633 0 40 DHAB COc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1 3896468 LIJBSQNKRWXHPY-UHFFFAOYSA-N 308.385 3.759 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(O)c2)on1 3908308 NMZQXSXGSVVMJS-UHFFFAOYSA-N 314.728 3.953 0 40 DHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC21OCCO1 4025582 TWYONAIDRKGWBX-RDGPPVDQSA-N 314.425 3.991 0 40 DHAB CCN(C[C@H](O)COc1ccccc1Cl)C1CCCCC1 6325613 GOAMOCOXJKKHLJ-HNNXBMFYSA-N 311.853 3.734 0 40 DHAB COc1ccc(CCNC(=S)Nc2ccc(C)c(C)c2)cc1 6332510 XMNNYCNCUKLQPJ-UHFFFAOYSA-N 314.454 3.841 0 40 DHAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cccc(F)c1 6505844 ICOPHDJLOLXKRU-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB Cc1cc(C)cc(NC(=O)CN2CCc3sccc3[C@H]2C)c1 7878355 FBYQNPHGZVTTDR-CQSZACIVSA-N 314.454 3.923 0 40 DHAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(F)cc2)cc1C 8136684 PFCJDDUHLFUZCE-UHFFFAOYSA-N 313.372 3.722 0 40 DHAB c1ccc(Nc2nc(Nc3ccccc3)c3nccnc3n2)cc1 9075223 KNEUMJSZQQFVOD-UHFFFAOYSA-N 314.352 3.907 0 40 DHAB CC[C@H](C)NC(=O)CSc1nc(C2CC2)nc2ccccc12 10940560 ONRDBKNYPKKFOD-NSHDSACASA-N 315.442 3.514 0 40 DHAB O=C(NC1CC1)[C@@H](Nc1cc(F)cc(F)c1)c1ccc(F)cc1 11085046 XJMBGJJJXNXCDH-INIZCTEOSA-N 320.314 3.536 0 40 DHAB CCC[C@@H](NC(=O)C1Oc2ccccc2O1)c1cccs1 12200107 DCWYCQUHGPEPOU-LLVKDONJSA-N 303.383 3.503 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)Nc3ncccc3O)ccc2c1 12527016 YJBBDEQQPPTNHS-LBPRGKRZSA-N 322.364 3.691 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3oc(C)nc3c2)cc1 12741354 FPPPGWSOJPBFPC-LBPRGKRZSA-N 310.353 3.851 0 40 DHAB CC1CCN(Cc2csc(NC(=O)c3ccccc3)n2)CC1 12925904 NGROHEXAYKREDJ-UHFFFAOYSA-N 315.442 3.627 0 40 DHAB CCn1nc(C)cc1C(=O)Nc1nc(-c2cccs2)cs1 13699572 DOWZADLQLOKQAW-UHFFFAOYSA-N 318.427 3.649 0 40 DHAB Cc1cccc(NC(=O)CCc2nc(-c3ccco3)no2)c1C 13845345 XGEBKVJXQIKORZ-UHFFFAOYSA-N 311.341 3.518 0 40 DHAB O=c1cc(-c2ccc3ccccc3c2)[nH]c2nc3ccccc3n12 14608250 IZHYQJJHAFWHEM-UHFFFAOYSA-N 311.344 3.996 0 40 DHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC1CC1 16199781 ABUTYBSDEOIOLO-UHFFFAOYSA-N 322.817 3.576 0 40 DHAB C=C(c1ccc(OC)cc1)c1ccc(N2CCOCC2)s1 16216078 QPGBMQPREDLRBL-UHFFFAOYSA-N 301.411 3.655 0 40 DHAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2)n1 16806518 DMFBTSKFWOIUMI-UHFFFAOYSA-N 307.806 3.803 0 40 DHAB COc1ccc(CNC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 17068722 YYGPYKSYKYAOBP-LLVKDONJSA-N 320.339 3.534 0 40 DHAB O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(F)cc1 18045111 SMDZYQJWXPSKRL-BMGDILEWSA-N 323.367 3.899 0 40 DHAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccco1 20139713 DZJIBWIAMOZNSP-UHFFFAOYSA-N 317.728 3.938 0 40 DHAB O=C(Cn1cnc2cc(F)c(F)cc21)NC1CCCCCCC1 24380662 ALDPCUJBGHPNAT-UHFFFAOYSA-N 321.371 3.544 0 40 DHAB Cc1nn(C)c(C)c1C(=O)Nc1cccc(OC2CCCC2)c1 29360903 ZERBVRWHLOGUQW-UHFFFAOYSA-N 313.401 3.611 0 40 DHAB O=C(NCCc1ccc(F)cc1)c1csc(-c2ccco2)n1 29507154 BYACYNPENYGCFE-UHFFFAOYSA-N 316.357 3.515 0 40 DHAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(OC3CCCC3)c2)c1 31206577 JIMOBJUOXDBART-UHFFFAOYSA-N 312.369 3.791 0 40 DHAB CSc1ccccc1NC(=O)CSc1nnc(C(C)C)o1 32883621 BRBYIYXVIDHNOI-UHFFFAOYSA-N 323.443 3.646 0 40 DHAB Cc1cc2nnc(SCc3ccc(F)cc3Cl)n2c(C)n1 32922596 CKGWUYBHDODAQB-UHFFFAOYSA-N 322.796 3.826 0 40 DHAB COc1ccc2nc([C@H]3CCN(CC4CCCCC4)C3)[nH]c2c1 35446748 UBZBSXLGDJZDMT-HNNXBMFYSA-N 313.445 3.941 0 40 DHAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)O)CC1 35571292 PXNRVRXPLIHZEN-UHFFFAOYSA-N 319.401 3.574 0 40 DHAB COc1cccc([C@H]2CCCN2Cc2nc(C(C)C)no2)c1 42574550 BYRLFGLDSRFHJD-OAHLLOKOSA-N 301.390 3.539 0 40 DHAB Fc1ccccc1CN(CCCn1ccnc1)Cc1ccncc1 43277828 UVSSMRCKMBMZJO-UHFFFAOYSA-N 324.403 3.510 0 40 DHAB COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccccc2)cc1 44818645 JKBWGMDEHDOGSM-CQSZACIVSA-N 315.438 3.834 0 40 DHAB O=c1ccc(-c2ccccc2Cl)nn1Cc1ccccc1F 44901161 FGMMCPUJYJXHRW-UHFFFAOYSA-N 314.747 3.751 0 40 DHAB O=C(/C=C/c1ccco1)N1CCC(Nc2ccc(F)cc2)CC1 57786087 BCICKCYJNMOIBJ-BQYQJAHWSA-N 314.360 3.535 0 40 DHAB COc1ccc(C)cc1NCCC(=O)Nc1cc(F)ccc1C 58026550 URCDTXKPAUCFFE-UHFFFAOYSA-N 316.376 3.892 0 40 DHAB COc1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccccn2)cc1 58226873 KTQUYAGYECCIGY-CYBMUJFWSA-N 311.385 3.848 0 40 DHAB CN(Cc1cccc(O)c1)C(=O)NCc1cccc2ccccc12 60565812 RKPMRCCNHTWTNB-UHFFFAOYSA-N 320.392 3.887 0 40 DHAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccncc1 65607784 YDTHVBAALOGPLF-HNNXBMFYSA-N 309.413 3.592 0 40 DHAB Cc1oc(-c2ccsc2)nc1CC(=O)NC[C@@H]1CC=CCC1 69702392 DPOIHGYXMRGENV-CYBMUJFWSA-N 316.426 3.727 0 40 DHAB CCC(CC)c1cc(CNC(=O)c2ccc[nH]c2=S)on1 72297331 ZBFFGMXTKHTESD-UHFFFAOYSA-N 305.403 3.566 0 40 DHAB CN1CC[C@@H](NCc2ccccc2Cl)[C@H](c2ccccc2)C1 72341605 MSHNPNGYEYSRMB-PKOBYXMFSA-N 314.860 3.918 0 40 DHAB O=C(Nc1cc(CC2CCCCC2)n[nH]1)c1ccncc1Cl 72701031 WSJJBAAQYBFFRM-UHFFFAOYSA-N 318.808 3.833 0 40 DHAB Cn1c(Cc2ccccc2)nnc1SCCc1ccccc1 75331153 SQFDGDUZLXBXTE-UHFFFAOYSA-N 309.438 3.741 0 40 DHAB Cc1ccc([C@H](C)N(C)Cc2nc(-c3ccccn3)no2)s1 76749863 JSUKLACQRXAVHY-LBPRGKRZSA-N 314.414 3.695 0 40 DHAB O[C@H](CN(Cc1ccccc1)Cc1ccncc1)c1cccs1 84535735 VSYDUZCZOGGNND-GOSISDBHSA-N 324.449 3.879 0 40 DHAB CCOc1cc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1O 85384599 VGICGYLZDFTCJX-UHFFFAOYSA-N 315.760 3.896 0 40 DHAB Cc1cc2c(NC[C@@H]3CC(=O)Nc4ccccc43)ncnc2s1 90106306 IPTWFOLYWHHCTR-NSHDSACASA-N 324.409 3.538 0 40 DHAB O=C(Nc1ccccc1)C1CCN(CCCc2ccccc2)CC1 95469268 IJYMCJLIXIBLPT-UHFFFAOYSA-N 322.452 3.970 0 40 DHAB Cc1noc(Cc2ccccc2NC(=O)c2ccccc2C)n1 96097035 BMQTUPCTIYBMKE-UHFFFAOYSA-N 307.353 3.530 0 40 DHAB CCCNC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 96407005 JJNYMJGXSQZHIR-JOCHJYFZSA-N 316.426 3.526 0 40 DHAB CCCN(CC(=O)Nc1ccccc1C)Cc1cccs1 96997258 YOQGUDBVLZCTON-UHFFFAOYSA-N 302.443 3.907 0 40 DHAB Cc1ccc(O)c(CN[C@H]2CC(C)(C)Cc3oc(C)cc32)n1 103343267 FBABELBPRRMXRP-AWEZNQCLSA-N 300.402 3.800 0 40 DHAB O=C(OCc1cnc(-c2ccco2)o1)c1ccc(F)c(F)c1F 153601336 FNJVTQBVPSYMLE-UHFFFAOYSA-N 323.226 3.709 0 40 DHAB Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Cl)cc2C)c1 162712988 JWIFUKJKRVALPJ-UHFFFAOYSA-N 316.788 3.842 0 40 DHAB CC(C)OC1CCC(NCc2ccc(Br)o2)CC1 191469214 QUDVYTMPMJGCJC-UHFFFAOYSA-N 316.239 3.868 0 40 DHAB CC(C)n1cc(CN2CC3(CCOCC3)c3ccccc32)cn1 191617040 AQXFDDULDVCVQU-UHFFFAOYSA-N 311.429 3.532 0 40 DHAB CC(C)[C@@H](NCc1nncn1C(C)C)c1ccc(F)c(F)c1 195557698 LAOSXFHWRJAHEK-MRXNPFEDSA-N 308.376 3.624 0 40 DHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222769111 VFGXUPNSZOXNSK-QWHCGFSZSA-N 323.874 3.789 0 40 DHAB CC(C)Oc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 225323948 HQYIMISSIYTOJJ-XJKCOSOUSA-N 304.459 3.949 0 40 DHAB CCOc1ccc(Nc2ccc(C(=O)OC(C)C)cc2N)cc1 225431459 VIBBHBHOZOJELW-UHFFFAOYSA-N 314.385 3.976 0 40 DHAB CCc1ccc(CC(=O)NCCCN2CCCC[C@@H]2CC)cc1 225510127 XFSUCQKPMOKPSZ-IBGZPJMESA-N 316.489 3.562 0 40 DHAB COC(=O)[C@H](Sc1ncnc2ccsc12)c1ccsc1 225570638 DVVJRYNBYAAARX-SNVBAGLBSA-N 322.436 3.759 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSC2CCCC2)c1 225797027 XPSSORXSMRYBCY-HNNXBMFYSA-N 321.486 3.863 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)CCc2ccc(F)cc2)cc1 225821535 PAJARZLALVKKCA-HNNXBMFYSA-N 315.388 3.650 0 40 DHAB Cc1cccc2cc(C(=O)N[C@H](C)c3ccccc3)c(=O)oc12 226034262 CGQUQXGDOKXFEY-CYBMUJFWSA-N 307.349 3.592 0 40 DHAB CC(C)C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226352426 RPHYMTHICNCDOA-UHFFFAOYSA-N 307.733 3.893 0 40 DHAB CCc1ccc2c(c1)[C@H]1O[C@@H](CC(=O)O)CC[C@@H]1C(C)(C)O2 257211164 BXSYXMUYMQUSJW-HACGYAERSA-N 304.386 3.731 0 40 DHAB CCOC(=O)[C@@]12CC=CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC2 257240677 HUQNCDPHZPUAEO-KDOFPFPSSA-N 323.433 3.676 0 40 DHAB COCC[C@@H]1CN(Cc2sccc2C)Cc2cccn2C1 585095466 SEPKWYMQIPMNMZ-OAHLLOKOSA-N 304.459 3.527 0 40 DHAB O=C(/C=C/c1ccsc1)NCC(c1ccco1)c1ccco1 675007771 ORJVIXOFOAIUPU-AATRIKPKSA-N 313.378 3.896 0 40 DHAB COc1cccc(NC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 180483 RJUADYJLDDTYRW-JTQLQIEISA-N 317.414 3.921 0 40 DHAB Cc1cccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c1C 252182 ISFOSUUFILLVJL-CQSZACIVSA-N 305.381 3.700 0 40 DHAB COc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1 531414 RKUUXXVHFUWEAB-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)Nc2ccccc21 565219 FNGCVHKSPQXXBK-HXUWFJFHSA-N 323.392 3.531 0 40 DHAB COC(=O)c1cc(OC)c2cccnc2c1Nc1ccccc1 1614153 WJKRHTMALFSRMY-UHFFFAOYSA-N 308.337 3.774 0 40 DHAB CCN(CC)[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 1686972 WYAXGUFTMAEDMR-GOSISDBHSA-N 309.409 3.853 0 40 DHAB O=C1CCCC[C@H]1Sc1nnc(Nc2ccccc2)s1 2726602 HIXVZXNMILREBT-GFCCVEGCSA-N 305.428 3.886 0 40 DHAB CCN(CC)C[C@H](C)OC(=O)c1ccc(Cl)cc1Cl 3314861 CRWRAGHIALXDSJ-JTQLQIEISA-N 304.217 3.881 0 40 DHAB COc1ccc(C)cc1COC(=O)c1[nH]c(C)c(C(C)=O)c1C 5313706 KFQAQKPVVXMFDE-UHFFFAOYSA-N 315.369 3.508 0 40 DHAB Cc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 5376153 DUBKDILJETZTKA-DHDCSXOGSA-N 311.362 3.942 0 40 DHAB c1cc2c(cc1-c1nc(CN3CCCCC3)cs1)OCO2 6059310 HFFHZMDMUMEIQW-UHFFFAOYSA-N 302.399 3.525 0 40 DHAB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3)[nH]c2c1 6506687 HAUOAVIVFRRKRQ-LBPRGKRZSA-N 311.410 3.991 0 40 DHAB CC1CCC(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)CC1 6667759 SEVDNXBPKCCPTF-AEJJIKPWSA-N 321.420 3.915 0 40 DHAB COc1cc(CC(=O)Nc2ccccc2SC)ccc1C 10410826 XXYVBJJOAJCEMS-UHFFFAOYSA-N 301.411 3.907 0 40 DHAB COc1cccc2cc(/C=C/C(=O)Nc3nc(C)cs3)oc12 11374349 DOZBURYCMJDYGY-VOTSOKGWSA-N 314.366 3.858 0 40 DHAB Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12221442 QXPQKQAWRNUKHO-OAHLLOKOSA-N 324.384 3.535 0 40 DHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC=O)CC[C@@H]12 12659415 YFIVNBTYXVUCHU-QFHQRVFTSA-N 319.489 3.505 0 40 DHAB biogenic C[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 12815055 SHFQSGPVQDPOCZ-VXGBXAGGSA-N 306.793 3.604 0 40 DHAB C[C@@H]1CCc2sc3ncn4c(-c5ccco5)nnc4c3c2C1 13687585 XASLHDHAWZOPJI-SECBINFHSA-N 310.382 3.724 0 40 DHAB Cc1cc(CS[C@H](C)C(=O)Nc2ccc(C)c(F)c2)on1 14196958 VCQIRZDEMSQEFP-LLVKDONJSA-N 308.378 3.691 0 40 DHAB COc1cccc(NC(=O)c2ccc(F)cc2Br)c1 17335076 HGKWGFKEMXTZHU-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB Cc1nccn1-c1ccc(CNC(=O)Nc2ccccc2)cc1 20461889 UCCHTZZRBFCBCG-UHFFFAOYSA-N 306.369 3.502 0 40 DHAB O=C(Nc1ccccc1F)c1cc(=O)c2cc(Cl)ccc2o1 20897243 IPVTYXYDQJCXNG-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)on1 22077702 AZLAKVJNPBXEEJ-AWEZNQCLSA-N 323.396 3.595 0 40 DHAB CCN(CC)CCNC(=O)c1ccc(-c2ccccc2Cl)o1 22704529 BIBGWRFCKSSQHU-UHFFFAOYSA-N 320.820 3.672 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccn(Cc2cccc(F)c2)n1 27916763 GNFSWHCDAWHAEK-MDZDMXLPSA-N 321.355 3.722 0 40 DHAB CCN(CC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 32136029 PCXAWLMFXNPABB-UKTHLTGXSA-N 324.833 3.676 0 40 DHAB O=C(c1nc(Cl)ccc1Cl)N(Cc1cccnc1)C1CC1 37977367 UPZPKPFFFAOUEA-UHFFFAOYSA-N 322.195 3.588 0 40 DHAB COC(=O)C(C)(C)[C@H]1c2ccccc2C=C[C@@H]1C(=O)C(C)C 38337864 BUFRYSGUOPRCSR-HOTGVXAUSA-N 300.398 3.838 0 40 DHAB CC(C)c1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1 40309975 DWFMRWCKZQXXCA-UYAOXDASSA-N 306.409 3.735 0 40 DHAB biogenic Cc1noc(C)c1CN1CCn2cccc2[C@@H]1c1ccccc1 40504750 UDRDZMQLDMOLFF-IBGZPJMESA-N 307.397 3.698 0 40 DHAB COCc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)cc1 40555354 FZVZIVDHXDONMI-UHFFFAOYSA-N 324.424 3.550 0 40 DHAB Cc1ccc(CN[C@H](c2ccccc2)c2nccn2C)cc1C 42203593 FKZVUPFQMGLCQM-LJQANCHMSA-N 305.425 3.916 0 40 DHAB Cc1cc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)on1 46635967 POGDPLDANMGIBO-NSHDSACASA-N 322.767 3.623 0 40 DHAB CCN1CCC[C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 48769185 WBRWGWKZGUGRLC-NSHDSACASA-N 316.232 3.599 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 56324745 QCUSQUVFAZKPIT-UHFFFAOYSA-N 319.311 3.957 0 40 DHAB CCOC(=O)c1cc(Cl)cc(Br)c1OCC 57332029 RLFKZPMYZJZBQX-UHFFFAOYSA-N 307.571 3.678 0 40 DHAB CC(=O)c1c(F)cccc1NCCCN(C)c1ccccc1 58304095 ROEURMYPJPGWPZ-UHFFFAOYSA-N 300.377 3.967 0 40 DHAB CC(C)NC(=S)N1CCC(c2cc3ccccc3[nH]2)CC1 65706439 MPJWPTNYDBKVCG-UHFFFAOYSA-N 301.459 3.630 0 40 DHAB CCCC[C@@H](CC)CNC(=N)NCCc1ccc(OC)cc1 69704330 RSFNVIBYGARWDG-OAHLLOKOSA-N 305.466 3.568 0 40 DHAB Cc1ccc2oc(C(=O)Nc3cccc(-n4ccnc4)c3)cc2n1 69742416 JQIDZOZWOFPBOK-UHFFFAOYSA-N 318.336 3.574 0 40 DHAB CC(C)(C)CN1CCC[C@H]1c1cccc(Nc2cnccn2)n1 72375164 YUSGQHZGPXAEIZ-HNNXBMFYSA-N 311.433 3.798 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1Cl 74949334 NJRXQTNJWZCHMA-UHFFFAOYSA-N 319.744 3.720 0 40 DHAB O=C(NCC[C@@H](O)c1cccc2ccccc12)c1ccccc1F 77116360 KGFMXMDGOSJBDG-LJQANCHMSA-N 323.367 3.832 0 40 DHAB Cc1ccsc1[C@H]1SCC(O)=Nc2c1c(O)nn2C(C)C 79490587 LEXYWPPRIKJAMO-LBPRGKRZSA-N 323.443 3.964 0 40 DHAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccco1 79493208 FFIKIJZLIJBSMA-UHFFFAOYSA-N 321.292 3.669 0 40 DHAB Cn1cccc1CN[C@H](c1cccc(Cl)c1)c1ccccn1 89756752 QECKSIQGPDPUFD-GOSISDBHSA-N 311.816 3.953 0 40 DHAB O=C(Nc1nc(C2CC2)cs1)[C@H]1CSc2ccccc2O1 95392996 BGUOTPNBONLBCC-GFCCVEGCSA-N 318.423 3.512 0 40 DHAB Cc1ccc(CN[C@@H](C)c2cnn(-c3ccccn3)c2C)s1 95420458 BUMMUXAGCREJGP-ZDUSSCGKSA-N 312.442 3.796 0 40 DHAB O=c1c2ccsc2ccn1CCOc1ccccc1Cl 95458207 GRAZQFVVRWDSJJ-UHFFFAOYSA-N 305.786 3.795 0 40 DHAB CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1CC1(C)C 95973407 SQERHBHVECGVKP-GFCCVEGCSA-N 301.308 3.590 0 40 DHAB Cc1c(C(=O)N[C@@H](CCO)C(C)(C)C)sc2ccc(F)cc12 95993450 ULDFOKZXQHMVIR-AWEZNQCLSA-N 323.433 3.876 0 40 DHAB Cc1nc(C)c(C(=O)Nc2cc(Cl)cc3[nH]cnc23)s1 96006459 WNZCSCYRULEEOJ-UHFFFAOYSA-N 306.778 3.542 0 40 DHAB Cc1nnc(CN(C)[C@H](C)c2ccc(Cl)cc2Cl)o1 96305408 QZWYSGXEDWDIQF-MRVPVSSYSA-N 300.189 3.878 0 40 DHAB O=C(NCCOCc1ccccc1)Nc1cccc2[nH]ccc12 96446207 QJRCIPYOGZZKRF-UHFFFAOYSA-N 309.369 3.506 0 40 DHAB CC[C@@H](C)C[S@](=O)Cc1ccc(-n2nc(C)cc2C)cc1 97115184 ZAKYDIKZQJDHGA-LRTDBIEQSA-N 304.459 3.784 0 40 DHAB CS[C@@H]1CC[C@@H](NC(=O)N(C2CC2)[C@H](C)c2ccco2)C1 108100828 DSXMPPVTLDPPRD-YRGRVCCFSA-N 308.447 3.799 0 40 DHAB O[C@H](C[C@H]1CCCCCN1Cc1ccccn1)c1ccco1 108105057 RALQCDQKKYIZEJ-IAGOWNOFSA-N 300.402 3.543 0 40 DHAB C[S@@](=O)C[C@H](NCc1coc2ccccc12)c1ccccc1 154696601 LNNMUBGYCFMQJT-JTSKRJEESA-N 313.422 3.642 0 40 DHAB COC(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 216943711 VSLFFZPBZJDSMQ-UHFFFAOYSA-N 306.745 3.714 0 40 DHAB Cc1ccccc1COC(=O)c1snnc1-c1cccs1 223847909 SSWRHBGLIXLQQS-UHFFFAOYSA-N 316.407 3.932 0 40 DHAB Cc1ccc(CCC(=O)NCCOCc2ccccc2)cc1C 225145029 SYSSAPVOIZBVHY-UHFFFAOYSA-N 311.425 3.569 0 40 DHAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccc(Cl)s1 225597384 ATRGYDLURHUJNF-SNVBAGLBSA-N 321.829 3.697 0 40 DHAB CCOc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1 225629401 LMIKQVMDHIXVLV-UHFFFAOYSA-N 309.409 3.894 0 40 DHAB CCc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 226036412 KUDDSVVTUCLSPY-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB C[C@@H]1CC[C@@H]1COc1ccccc1I 242701694 WKLKLZKYRQIHCQ-NXEZZACHSA-N 302.155 3.716 0 40 DHAB Cc1nc2cc(Nc3ncnc4c3ncn4C3CC3)ccc2s1 814259256 FTFAHQIKYAISHP-UHFFFAOYSA-N 322.397 3.823 0 40 DHAB CCc1ccc(C(=O)Nc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)s1 1549723608 QOKRDPSPTKDCLI-KGLIPLIRSA-N 315.394 3.751 0 40 DHAB CO[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1ccc(C)cc1 1615144294 QUYWEWOOLWXLTI-ROUUACIJSA-N 316.470 3.674 0 40 DHAB CC1(C)CC(=O)c2cnc(Nc3nc4ccccc4s3)nc2C1 100024 QYYHDZHLLYBVEX-UHFFFAOYSA-N 324.409 3.985 0 40 DHAB CCc1nc(N(C)C)c2sc(=S)n(-c3ccccc3)c2n1 111061 HLFAPVVLLHDFMD-UHFFFAOYSA-N 316.455 3.840 0 40 DHAB COc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(C)cc3)c2c1 140687 OFQGMJSMIPGNIW-UHFFFAOYSA-N 322.408 3.766 0 40 DHAB biogenic,in-vitro CCOc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 176683 GTMMFYVEJWCVHT-MHWRWJLKSA-N 311.312 3.569 0 40 DHAB O=C1N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 564524 VMMSALWRRZUAPA-NTEUORMPSA-N 316.719 3.576 0 40 DHAB CCC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 1294459 WYNBMXUGWZVTJS-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1431430 HESKSCOVOFCOIH-UHFFFAOYSA-N 323.483 3.567 0 40 DHAB CN(C)CC[C@](O)(Cc1ccccc1)c1cccc(Cl)c1 1698641 BZKMSZINPAIIIA-SFHVURJKSA-N 303.833 3.722 0 40 DHAB CC(C)[C@H](CCNC(=O)[C@@H]1CCOC(C)(C)C1)c1ccco1 2150727 VLSUZWJTONYQIG-CABCVRRESA-N 307.434 3.731 0 40 DHAB biogenic O=C(O)[C@H]1c2ccc(F)cc2CCN1c1ccc(Cl)cc1 2527052 BMRGFUMTJOUYQC-OAHLLOKOSA-N 305.736 3.668 0 40 DHAB COc1ccc(CSc2nnc(-c3ccco3)o2)cc1F 2620518 PAXIQNGKHCJABA-UHFFFAOYSA-N 306.318 3.770 0 40 DHAB CCCOC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C 2762566 KMOLEANVHMYZLO-UHFFFAOYSA-N 307.371 3.777 0 40 DHAB CSc1nccc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 4106830 VDTQDDSACPSJOE-UHFFFAOYSA-N 301.415 3.748 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1c2ccccc2C[C@H]1C 4251636 CVIVHEBDRMVMOM-GFCCVEGCSA-N 318.376 3.637 0 40 DHAB CC[C@H](C)NC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 4680434 VPKUVLLRZBDQEJ-INIZCTEOSA-N 316.489 3.937 0 40 DHAB CC(=O)N1[C@@H](Nc2ccc(C)cc2)C[C@@H](C)N1c1ccccc1 4711194 LHCPUKJQHJDUFQ-DNVCBOLYSA-N 309.413 3.795 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1Cl 5463598 NLQFTJHRNIYFEL-SNVBAGLBSA-N 323.751 3.894 0 40 DHAB CCc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 6433855 IMOBBMPLFPNVSR-IBGZPJMESA-N 309.409 3.822 0 40 DHAB CSc1ccccc1NC(=O)c1cc2ccccc2c(=O)o1 6660150 HRFAJOVIHKSYEE-UHFFFAOYSA-N 311.362 3.767 0 40 DHAB CCCNc1c(NC(=O)C(C)(C)C)c(=O)oc2ccccc12 6917534 XDRMLJNWDDPRDC-UHFFFAOYSA-N 302.374 3.600 0 40 DHAB Cc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1C 7053044 SDHAPTRJIKSUGA-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB S=c1[nH]ncn1NCc1ccc(-c2cccc(Cl)c2)o1 7602212 OEWVSKBNUXITSG-UHFFFAOYSA-N 306.778 3.598 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1nc2c(s1)CCCC2 7642438 KXBGVNGLBWLMJW-UHFFFAOYSA-N 316.426 3.656 0 40 DHAB O=c1oc2ccccc2n1Cc1csc(-c2ccsc2)n1 7726146 UAAFIUGPYFLSBC-UHFFFAOYSA-N 314.391 3.828 0 40 DHAB CC(=O)Nc1ccccc1OCc1cc(-c2ccccc2)on1 8006603 XVQNIHHKWRJTEA-UHFFFAOYSA-N 308.337 3.879 0 40 DHAB CC[C@H](CO)NCc1ccccc1OCc1ccccc1Cl 8337143 CSCDYMXYTYWNHI-MRXNPFEDSA-N 319.832 3.780 0 40 DHAB O=C(O)c1cc(-c2ccccc2)nc2onc(-c3ccco3)c12 8391786 YSXILCOZCIQJOZ-UHFFFAOYSA-N 306.277 3.848 0 40 DHAB O=C(NCCC1=CCCCC1)c1ccc(Cn2cccn2)cc1 8705691 HMNVCWIJGXKDKS-UHFFFAOYSA-N 309.413 3.552 0 40 DHAB Cc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)nc1 9315873 WUHHVJBHKFGJKT-UHFFFAOYSA-N 305.381 3.736 0 40 DHAB Cc1cc(Nc2ccc(F)c(F)c2)nc(-n2nc(C)cc2C)n1 10215028 VZIXJOJWQQYJFT-UHFFFAOYSA-N 315.327 3.609 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1cccc2cccnc12 10781280 FJBCTVOBTHFMEC-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB CC(C)n1c([C@H](C)NC(=O)C2CCCCC2)nc2cccnc21 12220599 VHTZUJDTQBDCCB-ZDUSSCGKSA-N 314.433 3.770 0 40 DHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)CC(C)(C)C 12735204 WDWJGDFUVKNFQE-UHFFFAOYSA-N 312.413 3.673 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCCCN2CCCCC2)cc1 13646997 VRCOFZYQGHJCCI-UHFFFAOYSA-N 302.462 3.590 0 40 DHAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSC(C)(C)C 13709816 OLDGJLQTTFMNSU-NSHDSACASA-N 315.866 3.755 0 40 DHAB Cc1ccc(SCC(=O)NC(=O)C2CCCCC2)cc1C 14228902 CTNPQWBZBILJNW-UHFFFAOYSA-N 305.443 3.619 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1 14291441 UMXHGNJVYGAJDJ-UHFFFAOYSA-N 316.209 3.935 0 40 DHAB CCOc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 18150985 BKIHQKYQZMYSPV-UHFFFAOYSA-N 319.788 3.548 0 40 DHAB COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 24230877 VXMJFDBAYLKALZ-IAOVAPTHSA-N 315.413 3.562 0 40 DHAB O=C(Nc1ccc(-n2cccn2)cc1)c1cccc2cccnc12 24711068 WKFCRVCZKGUTAI-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB FC(F)(F)COc1ncccc1CNc1nc2ccccc2o1 25569365 GLSAFAWCANFYLZ-UHFFFAOYSA-N 323.274 3.776 0 40 DHAB Cc1ccc([C@@H](CNC(=O)CC(C)C)N2CCCCC2)cc1 27583961 YMYGBELISPTPPX-GOSISDBHSA-N 302.462 3.684 0 40 DHAB Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 27793168 GHEHQBHESAZOPN-HXUWFJFHSA-N 322.452 3.870 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 33149319 COUHDOLLNWCSAE-INIZCTEOSA-N 314.772 3.780 0 40 DHAB C[C@H](CNCc1ccc(Cl)cc1Cl)Oc1ccccn1 35287332 JCNMXUVOLRRIAV-LLVKDONJSA-N 311.212 3.946 0 40 DHAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccccc1 39274478 CQELSZQJFRLUFQ-UHFFFAOYSA-N 302.182 3.794 0 40 DHAB C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 42646541 VAVQTVCVJGZSJZ-AWEZNQCLSA-N 324.424 3.800 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2SC)c1 44845256 XNFFZFGMWYUEJG-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB CC(C)(C)c1nc(-c2ccc(NC(=O)N3CCCC3)cc2)no1 54539441 APTIMHHDKJPUMK-UHFFFAOYSA-N 314.389 3.662 0 40 DHAB Fc1ccc([C@@H]2NCc3cc4c(cc3-n3cccc32)OCO4)cc1 55231381 OFLGOKDDWQXXNP-IBGZPJMESA-N 322.339 3.538 0 40 DHAB Cc1ncc(C(=O)N2CC[C@H](C)Sc3ccccc32)s1 58366139 LMMZJDVHQDMBTA-JTQLQIEISA-N 304.440 3.983 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)c(C)c1 59227399 VQTIHFRPWRGKDJ-INIZCTEOSA-N 322.408 3.603 0 40 DHAB Cc1cccc2cc(C(=O)N3CCC[C@@H](n4ccnc4C)C3)oc12 69810182 RBBQPGZIOSMMLK-MRXNPFEDSA-N 323.396 3.723 0 40 DHAB CCN(CC)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72212903 CEKCMQLFRDZOPO-SFHVURJKSA-N 323.440 3.905 0 40 DHAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2)cn1 72214541 QVZVIGPWLDIMQQ-OAHLLOKOSA-N 319.449 3.904 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC 72214789 LKDPMAMQXKACMM-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB COc1ccc(CC(=O)Nc2cnc(C)c(Cl)c2C)cc1 72265134 OYRJXXWDRRACOD-UHFFFAOYSA-N 304.777 3.542 0 40 DHAB O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 72273257 UKGLRILMPORELL-IAGOWNOFSA-N 323.440 3.626 0 40 DHAB Cc1cccc(N(C)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)n1 72288134 UVGIXIYQQLTKAU-RYUDHWBXSA-N 300.324 3.722 0 40 DHAB COc1c(Cl)cccc1NC(=O)NCCNc1ccccc1 75110215 WPWOQAREJSNFEX-UHFFFAOYSA-N 319.792 3.582 0 40 DHAB CC(C)(C)C(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 75155365 MJBHDEKBCYEQIA-HXUWFJFHSA-N 311.425 3.723 0 40 DHAB CCc1cnccc1NC(=O)c1c(C)oc(C)c1Br 75612031 SBIXJSHHMUPKJQ-UHFFFAOYSA-N 323.190 3.869 0 40 DHAB CCOc1c(F)cccc1C(=O)N(CC)[C@H](C)c1ccncc1 76091103 WRXFEOQJJDBKJH-CYBMUJFWSA-N 316.376 3.843 0 40 DHAB C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(Br)c1 83705087 MRKCJPAPJDNYPQ-XJKSGUPXSA-N 323.278 3.508 0 40 DHAB Fc1ccc(NCc2noc(Cc3ccccc3)n2)cc1F 89840351 ZYRMUKCLSWPIJV-UHFFFAOYSA-N 301.296 3.551 0 40 DHAB CC(C)c1nn(C)c2sc(C(=O)N3C[C@H]4CCC[C@H]4C3)cc12 89891216 SCLONRASZCINDM-TXEJJXNPSA-N 317.458 3.630 0 40 DHAB CC(C)(C)OC(=O)N1CCC(OC(F)(F)C(F)(F)F)CC1 91252501 YGVPZGBEWMNZEP-UHFFFAOYSA-N 319.270 3.558 0 40 DHAB Cc1n[nH]c2cc(NC(=O)c3cccc(OC(F)F)c3)ccc12 91825859 PDNIKDGAIGQWBM-UHFFFAOYSA-N 317.295 3.725 0 40 DHAB CCOCCn1c(CCCCC(=O)O)nc2cccc(Cl)c21 95095647 XUGFBLRHOOBDDJ-UHFFFAOYSA-N 324.808 3.524 0 40 DHAB c1ccc2c(c1)SCC[C@@H]2NCc1ccnc(-n2cccn2)c1 95420077 FHLWWHHLXFSYMM-INIZCTEOSA-N 322.437 3.594 0 40 DHAB Cc1csc([C@H](NC(=O)CO[C@@H]2CCC[C@H](C)C2)C2CC2)n1 96425448 KXROOZBYGRZDSN-SGIREYDYSA-N 322.474 3.614 0 40 DHAB CC[C@@H]1CN(C(=O)Nc2cccc([C@H](C)OC)c2)CCS1 96434539 VRTUCOLZILKZPX-SWLSCSKDSA-N 308.447 3.753 0 40 DHAB O=C(c1ccncc1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166296 FKVCXWYWHMFSDY-QZTJIDSGSA-N 310.372 3.772 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@@H]2CCC[C@@H]1COC2 101328544 UCKSYPURHXTCLD-GHMZBOCLSA-N 315.200 3.779 0 40 DHAB C[C@@H]1CCN(C(=O)COC(=O)CC2CCCC2)[C@H]2CCCC[C@H]21 107339331 MHXGKFMCSLRLCX-PVAVHDDUSA-N 321.461 3.537 0 40 DHAB Cc1ccc(CC(=O)Nc2nnc(SC(C)C)s2)c(C)c1 222694271 SOUJZKAGXFXVRA-UHFFFAOYSA-N 321.471 3.837 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CNCc2nnc(C(C)(C)C)s2)o1 268245145 XYNVEAQCFLMFOE-ZYHUDNBSSA-N 305.447 3.842 0 40 DHAB CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccccc2)cc1 464486619 YDYLGXJSJBGLLZ-UHFFFAOYSA-N 311.381 3.572 0 40 DHAB Cc1ncccc1CNC(=O)Nc1ccnn1[C@H](C)CC(C)C 529057700 LTNUOEGMAPBYSO-CYBMUJFWSA-N 315.421 3.515 0 40 DHAB CC(C)Cc1cnc(NC(=O)N2CCCc3occc3C2)s1 585083931 JDOPQHIGPHFVSE-UHFFFAOYSA-N 319.430 3.915 0 40 DHAB Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(C(C)C)cc1)C(=O)N2 316902 BEOASMXADXLRGA-FQEVSTJZSA-N 323.392 3.531 0 40 DHAB O[C@H](c1ccccc1)c1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 382806 AHBSFBQHTBVUMG-WIYYLYMNSA-N 318.420 3.704 0 40 DHAB COc1cccc(C(=O)Nc2cc(Cl)ccc2C)c1OC 496537 ANPIXQWLYQNIJH-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB COc1ccc(CNc2nc3ccc(OC)cc3s2)cc1 559519 UVJRGBIDZZVIDB-UHFFFAOYSA-N 300.383 3.926 0 40 DHAB CC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2ccc3c(c2C1=O)CCC3 1646111 BAVJVRKSDTYFEZ-JOCHJYFZSA-N 316.400 3.902 0 40 DHAB C[C@@H](CN(C)C)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698653 YIVFNVSKOBCLBC-KXBFYZLASA-N 317.860 3.968 0 40 DHAB Cc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 2774427 YCNLZIPALHZLOV-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB Cc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1C 3456155 CHEHTCYAOXVYIQ-UHFFFAOYSA-N 300.427 3.820 0 40 DHAB CN(C)CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 4603302 BZWUYLMBJJQZMS-UHFFFAOYSA-N 304.478 3.573 0 40 DHAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(F)cc1 4761109 XEDBWYNJANXBNY-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 5533033 XVHADRWKRLRVIR-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1 7405010 LFCWMOVICKKYQF-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB COc1ccc(Cl)cc1CC(=O)Nc1ccc(C)cc1O 7960397 DVXMLFGVALLQCW-UHFFFAOYSA-N 305.761 3.544 0 40 DHAB Cc1ccc2nc(SCC(=O)Nc3cccc(F)c3)[nH]c2c1 8558683 MCSNKNSDULRHBA-UHFFFAOYSA-N 315.373 3.741 0 40 DHAB O=C(c1cccc(Cl)c1)N1CCO[C@H](c2ccccc2)C1 11693774 KAJPJTZWAPGOFN-INIZCTEOSA-N 301.773 3.554 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)NCCc1ccccc1F 13009498 DBOCZMSWDPENBT-AWEZNQCLSA-N 300.377 3.737 0 40 DHAB O=C(NCCCOc1ccccc1)[C@@H]1CCCc2ccccc21 13023864 VYCZWJXUUOWOGD-LJQANCHMSA-N 309.409 3.692 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2F)cc1 15585311 JCYLYVHXMOPZFX-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB Cc1nc2cc(NC(=O)/C=C/c3nc4ccccc4o3)ccc2o1 15603442 QPRBZFFBFORGJN-CMDGGOBGSA-N 319.320 3.929 0 40 DHAB Nc1nc(Nc2cccc(Cl)c2Cl)nc(C(F)(F)F)n1 17056813 WMASOEDQTKCDLU-UHFFFAOYSA-N 324.093 3.523 0 40 DHAB COc1ccc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 17068720 YYGPYKSYKYAOBP-NSHDSACASA-N 320.339 3.534 0 40 DHAB COCc1c(C(=O)Nc2ccncc2)sc2cccc(F)c12 17585636 ACMAZUHNXWTPTA-UHFFFAOYSA-N 316.357 3.834 0 40 DHAB Cc1nc(NC(=O)Cc2ccc(C(F)(F)F)cc2)sc1C 21843871 SRLOCSNMXIDIBK-UHFFFAOYSA-N 314.332 3.960 0 40 DHAB O=C(NCCOc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 23746448 VEBFMKKBRHBADT-UHFFFAOYSA-N 315.800 3.638 0 40 DHAB C[C@H](NC(=O)[C@H](C)n1cccn1)c1ccc(Cl)cc1Cl 28411564 PNPFXGSDPLTGRD-UWVGGRQHSA-N 312.200 3.628 0 40 DHAB CC(C)c1cc(C(=O)NCC[C@@H]2CCCO2)c2ccccc2n1 29957305 YPBAWDDJMMSZIG-AWEZNQCLSA-N 312.413 3.657 0 40 DHAB CNC(=O)CSCc1csc(-c2ccc(C(C)C)cc2)n1 31414333 DXUGDOGXXPMICY-UHFFFAOYSA-N 320.483 3.913 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(C)s1 32532007 GDJWXXFRADXEEY-UHFFFAOYSA-N 321.345 3.583 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 33145079 XZECPNLEDKWMFY-UHFFFAOYSA-N 306.321 3.797 0 40 DHAB CN(C)C(=O)[C@@H](c1ccccc1)N(C)Cc1cccc(Cl)c1 39985854 FYBLVRSLZPRTJS-QGZVFWFLSA-N 316.832 3.601 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c(O)c1 40086582 GTULWQUZOPITEE-UHFFFAOYSA-N 306.365 3.673 0 40 DHAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@@H]1c1ccsc1 40107769 WPKOJKRBYFYYQI-CQSZACIVSA-N 313.382 3.709 0 40 DHAB O=C(Cc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 40817588 MDHKRGSDUGHKNP-MRXNPFEDSA-N 319.408 3.512 0 40 DHAB O=S(=O)(Cc1cccc(F)c1)Cc1nc2ccccc2s1 44644181 BPEMPPSSKMHMDF-UHFFFAOYSA-N 321.398 3.550 0 40 DHAB COc1cccc(CC(=O)Nc2cccc(-c3cnco3)c2)c1 48205283 QCFRCOFYNRLPKA-UHFFFAOYSA-N 308.337 3.531 0 40 DHAB CCc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(O)cc1 48303031 TZNKCXJOCKJLRG-LJQANCHMSA-N 324.424 3.730 0 40 DHAB CSCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 57084203 CCAGEYAZDMBBNZ-AWEZNQCLSA-N 311.859 3.970 0 40 DHAB CCOC(=O)Nc1cccc(NCc2nc(C(C)C)no2)c1C 58439609 FCJJYDWRLAXKBF-UHFFFAOYSA-N 318.377 3.682 0 40 DHAB O=C(Oc1ccc(OCC2CC2)cc1)c1ccc2c(c1)COC2 64396567 AGYJCNLTZVBAMH-UHFFFAOYSA-N 310.349 3.725 0 40 DHAB COCc1ccccc1NC(=O)N[C@@H]1CCc2ccccc2C1 69388015 JDZJMVFTBHFPKO-QGZVFWFLSA-N 310.397 3.512 0 40 DHAB C/C(=C/C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)C1CC1 69588013 PVLPNJNLAKQSCN-QBFSEMIESA-N 321.380 3.629 0 40 DHAB COC[C@H](C)NC(=O)N(Cc1ccccc1)C1CCCCC1 72289584 UJTMCCRCIJQHDJ-HNNXBMFYSA-N 304.434 3.566 0 40 DHAB FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCNC2)c1 72356389 TZYJIYLALOSZFI-LBPRGKRZSA-N 307.319 3.629 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1ccnc2ccccc12 74715449 BWVHTWRGYVCMSN-UHFFFAOYSA-N 315.376 3.689 0 40 DHAB O=C(Nc1cc(-c2ccccc2)ns1)[C@H]1COc2ccccc21 74952171 WFPZPOOQWADPOQ-AWEZNQCLSA-N 322.389 3.925 0 40 DHAB CS[C@H]1CCC[C@@H]1N(C)Cc1nnc(-c2cccs2)o1 76146516 RTHSADNJNWBXEE-QWRGUYRKSA-N 309.460 3.514 0 40 DHAB CCn1nc(C)c(NC(=O)Nc2ccc3nc(C)oc3c2)c1C 89300222 DWKLJYUHBRTFDN-UHFFFAOYSA-N 313.361 3.613 0 40 DHAB CC(C)(C)OC(=O)NCCNCc1ccc(Cl)c(Cl)c1 95698525 ICVOJKXQMJHOFX-UHFFFAOYSA-N 319.232 3.608 0 40 DHAB Cc1ccc(SC2CCCC2)c(C(=O)N2CCC(O)CC2)c1 95990184 LSNLPQMLDLWSPF-UHFFFAOYSA-N 319.470 3.627 0 40 DHAB Cc1nnc(CN[C@@H](C)C(c2ccccc2)c2ccccc2)o1 97110478 MEXPWVZXGOTMLS-AWEZNQCLSA-N 307.397 3.688 0 40 DHAB CC(C)CNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 198850040 GFMCDDYBJXWQBJ-UHFFFAOYSA-N 315.417 3.565 0 40 DHAB COCCNCc1cc(C)n(Cc2ccc(Cl)cc2)c1C 223664789 DCFPZVFPYXFDOM-UHFFFAOYSA-N 306.837 3.543 0 40 DHAB Cn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cn1 224052670 BDEAPJMZQLQJFN-UHFFFAOYSA-N 304.564 3.633 0 40 DHAB O=C(Nc1ccc2c(c1)COCc1cccn1-2)c1ccc(F)cc1 225379855 DNSATCGNEREUBC-UHFFFAOYSA-N 322.339 3.899 0 40 DHAB NC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)cc1 226332651 NZBBPLABQMQXNS-FPYGCLRLSA-N 305.736 3.557 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 247884847 SLJQCXKWMCDIOX-DFBDCSAJSA-N 311.510 3.557 0 40 DHAB C[C@@H](CN(C)CCc1cnccn1)c1ccc(C(F)(F)F)cc1 283389173 UIAPRGHLTGUQLV-ZDUSSCGKSA-N 323.362 3.773 0 40 DHAB Cc1c(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc2n1C 408811012 LQHZJBDITCJTTG-SFQUDFHCSA-N 316.360 3.831 0 40 DHAB Cc1ncoc1CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1 585137832 VXNVKDQHAJRKPK-LLVKDONJSA-N 307.781 3.539 0 40 DHAB C[C@@H]1CCC[C](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 1560408682 QOTBXPRMOIAXQS-QDBLGGKGSA-N 319.377 3.915 0 40 DHAB CCOc1ccccc1C(=O)NCC(C)(C)c1ccsc1 1889006682 VTKPXSIBXVYSNO-UHFFFAOYSA-N 303.427 3.854 0 40 DHAB Cc1cccc(C)c1NC(=O)N[C@@H]1CCN(C2CCCCC2)C1 353315 RVGMBJVDJFDQQR-MRXNPFEDSA-N 315.461 3.832 0 40 DHAB CC(=O)Nc1ccc(N2COc3ccc(Cl)cc3C2)cc1 543430 UAOXVYNHDIYDBT-UHFFFAOYSA-N 302.761 3.655 0 40 DHAB COc1cc(N)ccc1NC(=O)c1ccc(Cl)cc1Cl 570001 QLVZZYAWSHHPQZ-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB O=Cc1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12 582649 WAJFNGHZWDUJEC-UHFFFAOYSA-N 312.756 3.746 0 40 DHAB Cc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)s1 587758 JDNZZDJYHNGUHP-UVTDQMKNSA-N 314.435 3.661 0 40 DHAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(F)cc1 794222 GCCHUPCFRNZFBJ-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1cc2c(=O)cc(-c3cccs3)oc2c(C(=O)O)c1C 1620499 HLCUCOWOXBLOSU-UHFFFAOYSA-N 300.335 3.837 0 40 DHAB CN(C)C[C@](C)(Oc1ccccc1)C(=O)c1ccc(Cl)cc1 1670337 OAOXFBKCIVXOJX-SFHVURJKSA-N 317.816 3.922 0 40 DHAB Brc1ccc(C2(c3ccccc3)OCCO2)cc1 2392526 FMZJGCRMDNGDGO-UHFFFAOYSA-N 305.171 3.697 0 40 DHAB CC(=O)c1cc2c(nc1C)-c1cc(Cl)cc(Cl)c1O[C@H]2O 2661546 YHLPPIHUYMGQCX-OAHLLOKOSA-N 324.163 3.950 0 40 DHAB CCCCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 3094731 MHUFBSHKGRBQKW-JKSUJKDBSA-N 319.401 3.695 0 40 DHAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc2c(c1)OCCO2 3326749 QAZQRIOWGGOBKL-NTUHNPAUSA-N 313.740 3.604 0 40 DHAB C=C1c2cc3c(cc2NC(=S)N1c1ccc(F)cc1)OCO3 3426579 AZHAMGHWISSFCG-UHFFFAOYSA-N 314.341 3.742 0 40 DHAB Cc1cccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c1C 3454864 QZXMGLVANUIMCT-GOSISDBHSA-N 309.409 3.876 0 40 DHAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)O1 4603955 GFNYGSJTVOPVCO-GDBMZVCRSA-N 315.756 3.583 0 40 DHAB O=c1cc(-c2ccc(O)cc2)oc2ccc(Br)cc12 5579608 BQCQPDOLZOGWPV-UHFFFAOYSA-N 317.138 3.928 0 40 DHAB Cc1c2cc(-c3cccs3)sc2nc2c(O)cc(=O)[nH]c12 5687152 RDYIBTOXKBMHKW-UHFFFAOYSA-N 314.391 3.880 0 40 DHAB CCOc1ccc(-c2nnc(NC(=O)C3CCCCC3)o2)cc1 6510569 IGDYYAOFXRVKHJ-UHFFFAOYSA-N 315.373 3.654 0 40 DHAB Cc1c(C(=O)O)ccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 6960462 UWTQABIYVHYTGX-HDMKZQKVSA-N 306.365 3.915 0 40 DHAB Cc1ccccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 7890007 FECHEGDNLPRVRE-AWEZNQCLSA-N 309.365 3.997 0 40 DHAB O=C(NCCc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 7925151 GMAUCGVCAZMWDE-UHFFFAOYSA-N 311.278 3.817 0 40 DHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccco1 9390242 ZEXWUCVMONTRAR-HNNXBMFYSA-N 301.342 4.000 0 40 DHAB CC(=O)c1cccc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 11212330 VZNLRLYVLHJJHX-FQEVSTJZSA-N 323.392 3.536 0 40 DHAB Cc1sc2nc([C@@H](C)Nc3ccc(F)cc3)[nH]c(=O)c2c1C 12767166 WPNOYPDOSYQUPN-SECBINFHSA-N 317.389 3.914 0 40 DHAB O=C(Nc1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 12822191 UCWNDUOFWHLVRG-UHFFFAOYSA-N 303.365 3.613 0 40 DHAB O=C(Cc1cccc(F)c1)N[C@H]1CCSc2ccc(F)cc21 15199576 FKEKNHNLSHQVBE-HNNXBMFYSA-N 319.376 3.861 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)c1 16086508 YWYRZVCFAKDNQO-CYBMUJFWSA-N 323.845 3.996 0 40 DHAB Cc1cccc(OCCCNC(=O)c2cc3ccccc3[nH]2)c1 16278437 GUIGKIHHORXQTR-UHFFFAOYSA-N 308.381 3.675 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 18080026 RFUZUBIBPKOXDO-UHFFFAOYSA-N 312.413 3.787 0 40 DHAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCC(C)C 22245652 YOLCITNDPCPXIP-UHFFFAOYSA-N 307.394 3.720 0 40 DHAB Cc1ccc(CSCCNC(=O)c2cc(Cl)c[nH]2)cc1 27378940 QYTICNVBHMEFAC-UHFFFAOYSA-N 308.834 3.640 0 40 DHAB O=C(CCc1ccccc1)Nc1cnn(Cc2cccc(F)c2)c1 28303668 SCUJJMAQLYMSCH-UHFFFAOYSA-N 323.371 3.642 0 40 DHAB CCc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29483001 LJQMCJAYLKIXIW-IBGZPJMESA-N 308.425 3.807 0 40 DHAB Cc1c(C(=O)Nc2ccnn2Cc2ccco2)oc2ccccc12 32594238 LAMMRXYHRQMAKL-UHFFFAOYSA-N 321.336 3.831 0 40 DHAB Cc1cccc(Cn2cc(NC(=O)c3sccc3C)cn2)c1 32610071 WLOHVERGBDTGBZ-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB Nc1cccc(-c2nc(-c3ccccc3Br)no2)c1 34797667 VWUOSFDKYFRNBJ-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB COc1ccc(C)cc1[C@@H](O)c1ccc(Br)cc1 40263928 HECOKVWXLLDORV-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB CC(C)(C)c1ccc(O[C@H]2CCCNC2)c(Br)c1 42774767 ZKCOQRLXBYJZCY-LBPRGKRZSA-N 312.251 3.877 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCC2)cc1 46450681 XUCKVQFJTGIKDL-AWEZNQCLSA-N 307.459 3.554 0 40 DHAB O=C(CCOc1ccc(Cl)cc1)Nc1cccc2cn[nH]c12 46760193 TWGNXXDSVYKRIJ-UHFFFAOYSA-N 315.760 3.624 0 40 DHAB COc1ccccc1CNC(=O)N[C@@H]1CCCc2ccccc21 48310336 DVHIKXCORBHACG-QGZVFWFLSA-N 310.397 3.572 0 40 DHAB COc1ccccc1-c1nnc([C@H]2CCN(CC(C)(C)C)C2)o1 49170034 NINMAQCCQWUMCV-ZDUSSCGKSA-N 315.417 3.581 0 40 DHAB biogenic,in-vitro CCN(Cc1coc(-c2ccc(Cl)cc2)n1)C[C@@H]1CCOC1 52072321 RPNPFLFUXJHQLK-ZDUSSCGKSA-N 320.820 3.853 0 40 DHAB Cc1c(C(=O)Nc2ccc3ccccc3n2)[nH]c2c1C(=O)CCC2 53280330 DSVHGBYVXWJFAI-UHFFFAOYSA-N 319.364 3.643 0 40 DHAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1ccccn1 58232576 WATOFAHMRPIBPA-OAHLLOKOSA-N 322.742 3.991 0 40 DHAB CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCCN1 68590940 NQRUYCVWCPVFIP-DLBZAZTESA-N 318.461 3.512 0 40 DHAB in-vitro C[C@@H](c1ccccc1)N(C)C(=O)C[C@H]1OCCc2sccc21 69617470 ZGTNEWGMQNUAIB-XJKSGUPXSA-N 315.438 3.972 0 40 DHAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 69871304 WDPRXEOEQCESBJ-HZPDHXFCSA-N 301.434 3.526 0 40 DHAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC1 70692747 MURZKGYRNXENBL-NSCUHMNNSA-N 323.236 3.970 0 40 DHAB Cc1cnn([C@@H]2CCCN(C(=O)c3cc4cccc(C)c4o3)C2)c1 71870932 GDQSFSULLCCYSE-MRXNPFEDSA-N 323.396 3.723 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 72214609 MJOBDHGTKGEHGY-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB O=C(CC[C@@H]1CCCCO1)N1CCCC[C@H]1c1nccs1 72285835 QRXDUODKDWRXSJ-KBPBESRZSA-N 308.447 3.546 0 40 DHAB CCc1ncc(CN2CCc3c([nH]c4ccccc34)[C@H]2C)cn1 72391471 TYJXUYPIUSQMHW-CYBMUJFWSA-N 306.413 3.640 0 40 DHAB CC(C)C1CCN(C(=O)N[C@@H](c2nccs2)C2CC2)CC1 74709888 RZZVAIDULYJARM-CQSZACIVSA-N 307.463 3.672 0 40 DHAB C[C@H](NCc1cc2ccccc2o1)c1cccc(-n2cncn2)c1 80241158 NWSQUTQMTFAKME-AWEZNQCLSA-N 318.380 3.864 0 40 DHAB CCCn1cc(-c2ccc(I)cc2)cn1 85391739 RTFFJHNMHGPWFJ-UHFFFAOYSA-N 312.154 3.565 0 40 DHAB Cc1cc([C@@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 89580454 SSQFQZADRGIFRN-UONOGXRCSA-N 310.401 3.889 0 40 DHAB CCOc1ncccc1CN[C@@H](C)c1cnc2ccsc2c1 89988829 FTDRLTCPGBTYHZ-LBPRGKRZSA-N 313.426 3.941 0 40 DHAB Cc1ccc(CN(C)Cc2ccc([S@](C)=O)cc2)cc1F 93713208 IMISNWBWAPIZQV-OAQYLSRUSA-N 305.418 3.504 0 40 DHAB CSc1ccc(C(=O)Nc2nc(-c3ccsc3)ns2)o1 95395607 JQPPJNWIRSAXSH-UHFFFAOYSA-N 323.424 3.834 0 40 DHAB O=C(c1ccc(-c2cnco2)cc1)N1CCOc2cc(F)ccc21 96411098 KKOXIHVNRBSPML-UHFFFAOYSA-N 324.311 3.520 0 40 DHAB CC[C@@H]([C@H](N)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96524935 JNBSFQJXABHEKT-ZWKOTPCHSA-N 317.454 3.567 0 40 DHAB C1C2CC3CC1CC(C2)C3N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100060061 DGBCPCJXUAXBRF-YEKAUNMCSA-N 314.517 3.617 0 40 DHAB C[C@@H]1[C@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccccc12 101390352 NDVTYUTYGXTXEH-NJAPINKUSA-N 310.422 3.867 0 40 DHAB CC(C)(C)OC(=O)[C@H](N)CCCCCCCCCCCN 115824210 GJHDZMCLHCJVDO-OAHLLOKOSA-N 300.487 3.515 0 40 DHAB Cc1cc(NC(=O)C2=COCCC2)ccc1Oc1ccncc1 193703410 VMVCVKNQZXUHAQ-UHFFFAOYSA-N 310.353 3.815 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=S)NC(C)(C)CC)c1 225644968 JAAYSUXONYMMMA-UHFFFAOYSA-N 308.447 3.647 0 40 DHAB O=C(NCC[C@H]1CCCOC1)N1CCC[C@@H]1CC1CCCC1 528096554 JAVXATQQZQVFCT-IAGOWNOFSA-N 308.466 3.557 0 40 DHAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N1C[C@H]2CCC[C@H]21 531623599 TXOTUKDLLXPXEU-RHSMWYFYSA-N 322.412 3.766 0 40 DHAB CC(C)(C)c1cc(=O)n(Cc2ccccc2C(F)(F)F)cn1 585084803 LKNNYIUOCAEYJW-UHFFFAOYSA-N 310.319 3.608 0 40 DHAB Cc1cccc(-c2cccc(C(=O)N3CC[C@@](C)(C(=O)O)C3)c2)c1 1605318186 BELOUHNYYNYODR-HXUWFJFHSA-N 323.392 3.599 0 40 DHAB Cc1nc2cc(NC(=O)c3ncnc4c3CCCC4)ccc2s1 1888890538 FFOKJVGQHUAPQD-UHFFFAOYSA-N 324.409 3.526 0 40 DHAB CCCCn1c(=O)c2sccc2n(CC2CCCCC2)c1=O 1888994470 ANFORPFFCHWSRM-UHFFFAOYSA-N 320.458 3.605 0 40 DHAB Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)nc(C2CC2)n1 2069560305 SIVKHOSFHOJITQ-UHFFFAOYSA-N 324.409 3.833 0 40 DHAB COC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 64034 FVPKPAFIBILWAM-JXMROGBWSA-N 315.756 3.779 0 40 DHAB Cc1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21 148167 LCRKVGWCNPCZES-UHFFFAOYSA-N 314.410 3.679 0 40 DHAB COc1ccc(C2=C[C@@H](c3ccccc3)n3nc(C)nc3N2)cc1 407758 ZFTFOWYACIKQOW-SFHVURJKSA-N 318.380 3.651 0 40 DHAB COc1ccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)cc1 430748 XYZBKSHHXQDMIY-BDKUJZOCSA-N 305.333 3.596 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)s1 811973 XFVWVJAZZQKIOM-UHFFFAOYSA-N 308.211 3.856 0 40 DHAB CN(C)Cc1ccccc1COC(=O)c1ccc(Cl)cc1 1716136 BRQNXDDCGGXZMM-UHFFFAOYSA-N 303.789 3.759 0 40 DHAB Cc1cc(C)n(-c2nc3ccccc3nc2N2CCC(C)CC2)n1 2240925 BAFKVVSTSUQMAO-UHFFFAOYSA-N 321.428 3.669 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1 2623801 XDGZVTCRBJYMEC-UHFFFAOYSA-N 323.371 3.558 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)c1n[nH]c(=O)c2ccccc12 2653180 LJHIHAGZGDWJIM-LBPRGKRZSA-N 321.380 3.689 0 40 DHAB Cc1ccc2c(COC(=O)c3sccc3C)cc(=O)oc2c1 2658603 HIWOFWDQYZIFTD-UHFFFAOYSA-N 314.362 3.828 0 40 DHAB Cc1cc(C)cc(C(=O)OCc2nnc(-c3cccs3)o2)c1 3535802 IFABDGSDNLTTPS-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 5439720 YAJXRBRYGQQBBS-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)NCCc1ccc(Cl)cc1 5443332 FXLDNTZZGYRKAF-BJMVGYQFSA-N 303.764 3.851 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)N2c3ccccc3C[C@@H]2C)c1 5899449 KYHCRSMOBUCKOW-KBPBESRZSA-N 322.408 3.667 0 40 DHAB C[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)OC1=O 6266272 XKRMXHJZTCMZBQ-PXTTYALNSA-N 320.473 3.932 0 40 DHAB CC(=O)c1cccc(Nc2nc3ccccc3c3nnc(C)n23)c1 7500045 QXUJVMIASOHIKI-UHFFFAOYSA-N 317.352 3.532 0 40 DHAB Cc1nnc(SCc2cc(-c3cccs3)on2)n1C1CC1 7825934 DTKHVYPBJSRNQE-UHFFFAOYSA-N 318.427 3.930 0 40 DHAB Cc1ccc(CCCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 8064283 JFDYTWHJPIJCJR-UHFFFAOYSA-N 324.424 3.658 0 40 DHAB COc1ccc(CCSc2nc(-c3cccs3)n[nH]2)cc1 8230913 IARFBKCSPDCHRP-UHFFFAOYSA-N 317.439 3.877 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1c[nH]c2ccccc12 8855701 KVVQRSNBXCZCKS-UHFFFAOYSA-N 308.337 3.582 0 40 DHAB Cc1cc(C)c2c(O)nc(SCc3ccc(F)cc3)nc2n1 9364749 BLBFWOBOCPTAAJ-UHFFFAOYSA-N 315.373 3.779 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1cccs1)O[C@@H](C)C2 9454516 VRJDPCLSTKNKLD-JTQLQIEISA-N 303.383 3.723 0 40 DHAB CN(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 10113691 MHSUOJFAMFHSTB-UHFFFAOYSA-N 310.441 3.850 0 40 DHAB CN(C)C1(CNC(=O)c2cccc3ccccc23)CCCCC1 11917382 ZLVHUICRPQDDPU-UHFFFAOYSA-N 310.441 3.834 0 40 DHAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccccc1F 11955080 YAZFJMXUBWRPCN-VQHVLOKHSA-N 302.301 3.511 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1CC(F)(F)F 12528236 GSWARWZGQZYIIA-AWEZNQCLSA-N 324.277 3.955 0 40 DHAB CCC(=O)N1CCCc2ccc(NC(=O)Oc3ccccc3)cc21 13959230 GFKRUDJNLVNGNW-UHFFFAOYSA-N 324.380 3.987 0 40 DHAB C[C@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc3cccc1c23 14155735 GHIZHQLQZMHULZ-CYBMUJFWSA-N 316.360 3.827 0 40 DHAB Cc1ccc2nc(CNc3cc(Cl)ccc3C)cc(=O)n2c1 15320313 TYNAGMNCLQYSMR-UHFFFAOYSA-N 313.788 3.577 0 40 DHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 16091675 ZTNXYCFIAJDMAX-AOOOYVTPSA-N 322.257 3.660 0 40 DHAB O[C@@H](c1ccc(Br)cc1)C(Cl)(Cl)Cl 17014066 AXNMHLKVDSMYSA-ZETCQYMHSA-N 304.398 3.853 0 40 DHAB Cc1cccc(C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1 17208721 JLVCKJDPNKAWLL-UHFFFAOYSA-N 307.392 3.885 0 40 DHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccn1 20491482 QCNKXTXGFOUOOT-OAHLLOKOSA-N 320.845 3.922 0 40 DHAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 20495806 NFGWUPPKWUAVHD-SUMWQHHRSA-N 301.361 3.861 0 40 DHAB Fc1ccccc1-c1n[nH]c(SCc2ccc(Cl)nc2)n1 22203351 QIMVOHKRXBUEMA-UHFFFAOYSA-N 320.780 3.952 0 40 DHAB CCc1ccc(C(=O)CCC(=O)NCc2cccs2)cc1 31815163 JOFJCIHVSCZATI-UHFFFAOYSA-N 301.411 3.590 0 40 DHAB C[C@@H](O)c1ccc(CNC(=O)Nc2ccccc2Cl)cc1 53755858 QLWLCQRMRWQJRY-LLVKDONJSA-N 304.777 3.715 0 40 DHAB Cn1c([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21 54666833 UOHKMYXZEVVFRK-QAPCUYQASA-N 323.440 3.983 0 40 DHAB CN1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 74713411 AGYXYDWOVDIBJE-UHFFFAOYSA-N 310.397 3.759 0 40 DHAB O=C(CCc1ccccn1)Nc1ccc2nc(C3CC3)oc2c1 79727426 XMQJJLOLDIVLEP-UHFFFAOYSA-N 307.353 3.672 0 40 DHAB CCOc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)c(C)c1 83207280 XUIACUDNDSSAKC-UHFFFAOYSA-N 316.382 3.777 0 40 DHAB CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1cccc(F)c1 95946202 LSDPRLRNTMEJME-QGZVFWFLSA-N 300.308 3.662 0 40 DHAB CC[C@H](C(=O)NC[C@@H](OC)c1ccccc1C)c1ccccc1 96104954 NOSDNPNNVYEAKY-PKOBYXMFSA-N 311.425 3.993 0 40 DHAB C[C@]1(C(=O)NC2(c3nccs3)CCCC2)CC1(Cl)Cl 96407329 FVSOYCAITHRGRM-LLVKDONJSA-N 319.257 3.613 0 40 DHAB Cc1cc2cc(NC(=O)N(CCO)C3CCCCC3)ccc2[nH]1 97113245 RPZVKIRRAQKPQR-UHFFFAOYSA-N 315.417 3.635 0 40 DHAB C[C@]1(O)CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927509 XLHAVSYGJGEONL-KWTCDADXSA-N 318.457 3.528 0 40 DHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccccc1 224151117 HDCDOZKLJKJJNR-IAGOWNOFSA-N 321.405 3.852 0 40 DHAB CCc1ccc(CC)c(CNC(=O)COc2ccc(F)cc2)c1 224570798 WGAHGWSHRBPZEF-UHFFFAOYSA-N 315.388 3.646 0 40 DHAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(OC(C)C)c1 225595848 LLDGPYBXGJERHE-UHFFFAOYSA-N 323.389 3.722 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2conc2-c2ccccc2)cc1 225870235 IRXYRZPXNNNVON-CYBMUJFWSA-N 322.364 3.841 0 40 DHAB CCc1ccccc1NC(=O)c1cc2cc(C)ccc2oc1=O 226036400 MKXPWXWRSIPUOY-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CNC(=S)Nc1ccccc1 245240971 VTDKMGFGTDCAQQ-SUNYJGFJSA-N 316.470 3.614 0 40 DHAB Cc1cccc2c1CC[C@@H]2NC(=O)c1cnc(O)c2ccccc12 526048717 PKQAGKQCCOTLFC-SFHVURJKSA-N 318.376 3.666 0 40 DHAB CC(C)(C)c1ocnc1C(=O)Nc1ccc(N2CCCC2)cc1 585089613 HZDVHVQBPSWTNK-UHFFFAOYSA-N 313.401 3.825 0 40 DHAB O=C(CCC(F)(F)F)NCc1cc(-c2ccoc2)cs1 1775969653 FCKHRTSWACCMGC-UHFFFAOYSA-N 303.305 3.967 0 40 DHAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C(C)=O)c1ccccc1 246552 BKRDBLIVHFVAGJ-IBGZPJMESA-N 316.445 3.657 0 40 DHAB CCc1cc2ccccc2nc1SCC(=O)N(CC)CC 413284 ADNNKFZUDQQFSF-UHFFFAOYSA-N 302.443 3.758 0 40 DHAB Cc1occc(=O)c1OC(=O)Nc1ccc(Cl)c(Cl)c1 502347 FQVUFLCKHQXQCC-UHFFFAOYSA-N 314.124 3.866 0 40 DHAB CN(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 2758036 QTOAVYNRXDWGRO-UHFFFAOYSA-N 309.797 3.817 0 40 DHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccccc1F 3238169 FFLHCVBDXUAQFX-UHFFFAOYSA-N 313.357 3.520 0 40 DHAB COc1ccc(NC(=O)COc2cccc(C)c2C)cc1Cl 3455420 ZAISWWIKLNTERK-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB COc1cnc(SCc2ccc(Cl)cc2Cl)nc1O 4002987 RFHDRDCZLCKFFT-UHFFFAOYSA-N 317.197 3.790 0 40 DHAB COc1ccc(/C=C/c2nc(C)c(-c3ccccc3)c(=O)[nH]2)cc1 4786075 NTGQLARGDOXHSX-JLHYYAGUSA-N 318.376 3.924 0 40 DHAB S=C(NC1CCCCC1)N1CCc2[nH]c3ccccc3c2C1 4898971 CUCPWXTXNJFRPN-UHFFFAOYSA-N 313.470 3.733 0 40 DHAB CCc1c(Oc2ccc(Cl)cc2)nc2n(c1=O)CCCS2 5344941 DIFGMXAADYNBFK-UHFFFAOYSA-N 322.817 3.747 0 40 DHAB COc1ccccc1N1CCN(c2ccc3ccccc3n2)CC1 5570262 JCTSLWVNRLJSRO-UHFFFAOYSA-N 319.408 3.570 0 40 DHAB CCCN1C(=O)S/C(=C\c2c(C)n(C)c3ccccc23)C1=O 6323835 CASBDSSKWHJPPB-GDNBJRDFSA-N 314.410 3.933 0 40 DHAB CCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1OC 6324384 DWYLGUAINUKFJL-UVTDQMKNSA-N 321.398 3.540 0 40 DHAB O=C(COc1cccc2ccccc12)Nc1nc2ccccc2[nH]1 6507009 CXXQEMDABUQNTR-UHFFFAOYSA-N 317.348 3.734 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 6845203 CPRPMZJQRGUVOV-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB C[C@@H](NC(=O)c1cc2c(F)cccc2s1)c1ccncc1 7184888 FFQJIEORSBFJIG-SNVBAGLBSA-N 300.358 3.926 0 40 DHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2F)cc1 7269959 MTEMFQVHPIQUMI-UHFFFAOYSA-N 315.388 3.932 0 40 DHAB Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 7929319 GPVVVVHRJDKQIT-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB CCCc1c(C(=O)OCC)oc2c1c(=O)oc1ccccc12 8559936 ZGMVHXGIAYORET-UHFFFAOYSA-N 300.310 3.668 0 40 DHAB CCNc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccco1)C2 9936377 NTLZOPSPOQTPNE-ZDUSSCGKSA-N 321.380 3.810 0 40 DHAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cccs1 10852116 XLOOKIQZBMZZHT-OAHLLOKOSA-N 303.383 3.604 0 40 DHAB COc1ccccc1NC(=O)c1cc(-c2cccs2)on1 11916490 LLTMMXXHGLJACM-UHFFFAOYSA-N 300.339 3.664 0 40 DHAB Cc1ccsc1-c1nnc2sc(/C=C/c3ccco3)nn12 12323275 MRWOTTBRUAGXIT-SNAWJCMRSA-N 314.395 3.986 0 40 DHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccco1 12574433 RLUZSPUWKGCMDK-UHFFFAOYSA-N 309.350 3.908 0 40 DHAB COc1ccc2c(CN[C@@H]3CCC[C@H](C)[C@@H]3C)cc(=O)oc2c1 12818692 CTFXTOYBBHKMCQ-GDZNZVCISA-N 315.413 3.716 0 40 DHAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccccc1 14166461 WNYWUWNARHXIOO-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CSc1ccccn1 16839861 UMPNCNJQUPFLTJ-CQSZACIVSA-N 303.427 3.737 0 40 DHAB O=C(CCn1ccc2ccccc21)Nc1nc2ccccc2[nH]1 17304595 KJCAHQZHZXPVMW-UHFFFAOYSA-N 304.353 3.546 0 40 DHAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccco1 20139701 SRRNDLUDQCQVGM-UHFFFAOYSA-N 317.728 3.938 0 40 DHAB O=c1c(-c2nc(-c3ccc(Cl)cc3)no2)c[nH]c2ccccc12 20745085 XCOKIWOMJHNFIP-UHFFFAOYSA-N 323.739 3.899 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)[C@]1(C)CC1(Cl)Cl 22192121 NAOQFXRZAFBAQJ-AWEZNQCLSA-N 314.212 3.558 0 40 DHAB CCn1cc(C(=O)Nc2cc(F)ccc2C)c(=O)c2ccccc21 22234588 OMRVDQLLXLJXGW-UHFFFAOYSA-N 324.355 3.721 0 40 DHAB CC[C@H](NC(=O)Cc1c(C)nn(C)c1C)c1ccc(Cl)cc1 22284140 FWCIPCRBIOKBGT-INIZCTEOSA-N 319.836 3.500 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1cccs1 23656084 IAVLMMUJFJHKEN-UHFFFAOYSA-N 310.422 3.772 0 40 DHAB CC(C)c1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1 25702188 ORXJTLLHQRHJGB-MRXNPFEDSA-N 316.470 3.904 0 40 DHAB CC(=O)Nc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1 26171437 ZZTZNHNECQLJBR-UHFFFAOYSA-N 316.361 3.575 0 40 DHAB O=C(Nc1cccc2cccnc12)c1ccc(CN2CCCC2)o1 27984541 NGWQKFYZAWOSHM-UHFFFAOYSA-N 321.380 3.676 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCCOc1ccc(F)cc1 29294779 CTPDASMTMBDHIQ-BJMVGYQFSA-N 319.763 3.688 0 40 DHAB Cc1cc(N)nc(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)n1 31745687 SBDRMSZJAPTFPD-CYBMUJFWSA-N 315.442 3.656 0 40 DHAB O=C(CCc1ccccc1)Nc1nc2c(s1)CCCCC2 32885723 WPVLSBFGAVZCMX-UHFFFAOYSA-N 300.427 3.983 0 40 DHAB CC(C)Oc1ccc(-c2nc(C(=O)N3CCCC3)cs2)cc1 34711801 JOKNINXMISQSRJ-UHFFFAOYSA-N 316.426 3.833 0 40 DHAB Cc1cc2c(cc1C)N(CC(=O)c1ccccc1)C1=NCCCN12 35165560 GFYSCHVSHVFALA-UHFFFAOYSA-N 319.408 3.572 0 40 DHAB Cc1ccc(NC(=O)CCCc2nc(C(C)C)no2)c(F)c1 40515690 MMICKWSRYUKPHW-UHFFFAOYSA-N 305.353 3.602 0 40 DHAB O=C(Cc1ccc(F)cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 42850576 CNJGBJAHYIHHNP-YPMHNXCESA-N 303.299 3.606 0 40 DHAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(F)cc1Cl 43212675 GRMYAVXVDYPZKH-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB Cc1sc2ncnc(N[C@@H](C)C(=O)O)c2c1-c1ccccc1 58279107 LOZVXJHBSYBFFV-VIFPVBQESA-N 313.382 3.552 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCCCCC2)cc1 61246990 AGTARFMCLKUNCV-UHFFFAOYSA-N 305.491 3.548 0 40 DHAB Cc1cc(Br)cc2nc(-c3ccc(N)cc3)[nH]c12 62152881 VRYYSBJZRRNVOZ-UHFFFAOYSA-N 302.175 3.883 0 40 DHAB Cc1cc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)no1 69515747 AWPIHYBZHKSHCW-CYBMUJFWSA-N 323.352 3.770 0 40 DHAB CC[C@H](NC(=O)N[C@@H](C)Cc1ccsc1)c1nc(C)cs1 71856653 BXGRULKQFIGNLN-GWCFXTLKSA-N 323.487 3.895 0 40 DHAB CCc1nc(COc2cccc(NC(=O)C3CC3)c2)cs1 71913897 KYUXGVGFYBNEKX-UHFFFAOYSA-N 302.399 3.633 0 40 DHAB CSc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72216981 LJHINBHPHBMUGI-UHFFFAOYSA-N 324.446 3.681 0 40 DHAB Cc1cc(SC(C)(C)C)cnc1I 72225969 ZGEVCMGBNKWIKG-UHFFFAOYSA-N 307.200 3.885 0 40 DHAB Cc1ccc([C@@H]2CSCCN2C(=O)CCc2ccsc2)o1 76067486 OMPLJWUVCKPUPG-AWEZNQCLSA-N 321.467 3.899 0 40 DHAB O=C(COc1ccc(C2SCCS2)cc1)N1CCCCC1 78249651 YLFGZZUXIRADGI-UHFFFAOYSA-N 323.483 3.557 0 40 DHAB Cc1c(C(=O)N2CCCSc3ccc(Cl)cc32)cnn1C 79025290 XBJYWZWRUCFVCW-UHFFFAOYSA-N 321.833 3.525 0 40 DHAB Cc1nc(CNC(=O)c2sc(C3CCCC3)nc2C)oc1C 79696479 GWYJBUVWRIPWJM-UHFFFAOYSA-N 319.430 3.644 0 40 DHAB O=C(Nc1ccc2c(c1)CCO2)N1CC[C@H](c2ccccc2)C1 84525518 SDGUZHAJFATZBO-INIZCTEOSA-N 308.381 3.643 0 40 DHAB O=C(c1cc(F)ccc1F)N1CC(Cc2ccc(F)c(F)c2)C1 85474380 AOXNUVVBVITTSG-UHFFFAOYSA-N 323.289 3.558 0 40 DHAB CC(=O)N(Cc1ccc(NCc2cccc(O)c2)cc1)C1CC1 89930362 KDTKZHHKYQXKOI-UHFFFAOYSA-N 310.397 3.515 0 40 DHAB CC(C)Cn1ccnc1CN[C@@H]1CCSc2ccccc21 95423174 KHNVCQXLAFICFX-OAHLLOKOSA-N 301.459 3.866 0 40 DHAB CCC(C)(C)N(C)C(=O)Cc1cc(F)ccc1Br 95972099 NVMMVUKBQOOTGY-UHFFFAOYSA-N 316.214 3.778 0 40 DHAB C[C@]1(C(=O)Nc2ccccc2)CC(c2ccccc2Cl)=NO1 96192584 BYHONYWTNIQJKJ-QGZVFWFLSA-N 314.772 3.862 0 40 DHAB C[C@H](CC(=O)N(C)Cc1cccc(O)c1)c1cccc(F)c1 96407829 XFQJMKYZJYBPFU-CYBMUJFWSA-N 301.361 3.684 0 40 DHAB CC[C@](C)(NC(=O)c1ccc(Cl)nc1)c1nc(C)cs1 96423337 RLZQDGCOXJIIHZ-AWEZNQCLSA-N 309.822 3.555 0 40 DHAB Cc1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1C 96621648 LDHZKNTZUYWDDZ-UHFFFAOYSA-N 322.452 3.585 0 40 DHAB CC(=O)Oc1c2c(c(OC(C)=O)c3c1[C@H]1C=C[C@H]3C1)[C@H]1C=C[C@H]2C1 100930719 LPIARUDKPDDZRQ-XUXIUFHCSA-N 322.360 3.819 0 40 DHAB CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1C(=O)c1ccc(C)cc1 103037755 VLYIVTVGZDRYCO-KRWDZBQOSA-N 306.365 3.525 0 40 DHAB CC(C)(C)c1nc(C(C)(C)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)no1 106530751 PZYUFGZTXFDACS-RWMBFGLXSA-N 319.449 3.545 0 40 DHAB COc1ccc([C@H](NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C(C)C)cc1 107568691 OQXMLSFAKKQALR-OXXUSNJHSA-N 301.430 3.945 0 40 DHAB CSc1nnc(NC(=O)C2(c3ccccc3)CCCC2)s1 223900502 SGSCUAYMNPACTI-UHFFFAOYSA-N 319.455 3.711 0 40 DHAB CCOCc1cc(C(=O)N(C)Cc2ccccc2)ccc1OC 224406589 BTRYMCTYOUBNQL-UHFFFAOYSA-N 313.397 3.504 0 40 DHAB CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)c2ccccc12 408820732 YJHMKBMSSOBCQV-GDNBJRDFSA-N 313.378 3.905 0 40 DHAB CCc1cc(N[C@H](C)c2nnnn2-c2ccccc2)ccc1F 506660076 HZMNQWUHEQKVLK-GFCCVEGCSA-N 311.364 3.537 0 40 DHAB COc1ccc2[nH]c(CN3CCC[C@H]3c3ncc(C)[nH]3)cc2c1 1848352258 XSCWXDOKOVFGOF-KRWDZBQOSA-N 310.401 3.545 0 40 DHAB CCOc1ccc(Nc2cc(C3CCOCC3)nc(C)n2)cc1 1888881750 HGZNXKZLZXJVKD-UHFFFAOYSA-N 313.401 3.821 0 40 DHAB COc1cc(OC)c(C(=O)Nc2cccc(Cl)c2)cc1OC 365282 VYIWUNRZQITSTL-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 2721567 NTJKNDFMBBUNEN-UHFFFAOYSA-N 313.788 3.579 0 40 DHAB Cc1c(Cl)c(-c2nnc(Cc3ccc(Cl)cc3)o2)nn1C 2804478 UYQIBTVYLWHIBH-UHFFFAOYSA-N 323.183 3.676 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(C)=O)c1 3561723 HPVOJTCIXMYVBJ-UHFFFAOYSA-N 303.745 3.804 0 40 DHAB O=C(NCCc1csc(-c2ccccc2)n1)c1cccs1 4166969 AWUISKCGNWXBNU-UHFFFAOYSA-N 314.435 3.844 0 40 DHAB Cc1ccc(OCc2nnc(S)n2Cc2ccccc2)cc1 5730529 HKRJRGCSTMBLTR-UHFFFAOYSA-N 311.410 3.503 0 40 DHAB CCOC(=O)[C@@H](c1ccccc1)P(=O)(OCC)OCC 5830919 VATZVSVTINADGG-CYBMUJFWSA-N 300.291 3.557 0 40 DHAB Cc1ccsc1CN1CCC(C(=O)N2CCC(C)CC2)CC1 6319330 RRUHVYARRKVNJB-UHFFFAOYSA-N 320.502 3.527 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1 6566969 WIZQLWLFKSMKAO-UHFFFAOYSA-N 304.353 3.616 0 40 DHAB CC(C)CNc1ncnc2c1cnn2Cc1ccccc1Cl 6760128 RAKUNOAGCOOLHT-UHFFFAOYSA-N 315.808 3.596 0 40 DHAB Cc1cccc(OCc2nnc3n2-c2ccccc2SC3)c1 6831222 FGSUSZHKJXWBJI-UHFFFAOYSA-N 309.394 3.760 0 40 DHAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21 6965741 SIVVBLBAINUZLC-JCGVRSQUSA-N 306.365 3.915 0 40 DHAB CCOC(=O)c1ccc(-c2ccc(CNCC(C)C)o2)cc1 7520084 RGJZTGYLEKPYPC-UHFFFAOYSA-N 301.386 3.869 0 40 DHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(F)cc1 7577678 UCUDOIDAPSRVNA-MRVPVSSYSA-N 323.418 3.615 0 40 DHAB c1ccc(-c2ccc(CSc3nnnn3C3CC3)cc2)cc1 8325525 WYDPBUWLAHINAB-UHFFFAOYSA-N 308.410 3.967 0 40 DHAB CC(C)n1c(SCc2ccccn2)nc2ccccc2c1=O 8720383 JMAICARAZPGULX-UHFFFAOYSA-N 311.410 3.665 0 40 DHAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nccs1 8908379 PYMNHQNIICLJAH-UHFFFAOYSA-N 303.170 3.711 0 40 DHAB COc1cccc(-c2cc(CC(=O)Nc3cccc(C)c3)no2)c1 11693176 SNEMEOBYRWMVAS-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB Cc1cc(C)c2cc(C(=O)Nc3nnc(C4CC4)s3)[nH]c2c1 12733979 CJNPEIYZKRJQRZ-UHFFFAOYSA-N 312.398 3.766 0 40 DHAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2)c(OC)c1 13790319 NXVHMTVPBHOJCV-GFCCVEGCSA-N 316.426 3.751 0 40 DHAB COc1ccc(NC(=S)NCCSc2ccccc2)cc1 18138248 ARHPPHMQTVMMPM-UHFFFAOYSA-N 318.467 3.774 0 40 DHAB Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCNC2)n1 19570364 VRHISVOPAITEAI-HNNXBMFYSA-N 311.429 3.715 0 40 DHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 19736739 QWPIDDMDGYOUSY-GFCCVEGCSA-N 314.385 3.707 0 40 DHAB O=C(COc1ccc(Cl)cc1)N1CCSc2ccccc21 21331629 HQRJRVWVPQUNOV-UHFFFAOYSA-N 319.813 3.858 0 40 DHAB Cc1noc(COC(=O)CC(c2ccccc2)c2ccccc2)n1 23373877 QKBYOWJLDZZTJR-UHFFFAOYSA-N 322.364 3.643 0 40 DHAB CC(C)Oc1ccc(CCNC(=O)Cc2ccccc2F)cc1 25893787 RCNCYGNVNWSQOK-UHFFFAOYSA-N 315.388 3.514 0 40 DHAB C[C@@H](Nc1ccc2c(c1)CCO2)c1nc(-c2cccs2)no1 26995330 ZLNRYBZEAINURK-SNVBAGLBSA-N 313.382 3.906 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1 27122013 OITOBZKYNKFKHD-HNNXBMFYSA-N 313.397 3.650 0 40 DHAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H]1c1cccs1 27357785 SVDFRFHPWIVLNK-CHWSQXEVSA-N 319.430 3.599 0 40 DHAB COc1ccccc1C(=O)Nc1cc(C)nn1Cc1ccccc1 28243902 FQCYXFFCEXVNDP-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)NCc2cccs2)cc1Cl 28907611 NKESWXGSFNGSTL-LLVKDONJSA-N 308.834 3.827 0 40 DHAB O=C(c1ccc(NCCCC2CCCC2)nc1)N1CCCC1 32770058 RGUNGLHVQBXWGG-UHFFFAOYSA-N 301.434 3.700 0 40 DHAB Cc1c(Cl)ccc2sc(NCCCn3ccnc3)nc12 34936057 JHFSMAOFMFRMSR-UHFFFAOYSA-N 306.822 3.957 0 40 DHAB COC(=O)c1oc(CN2CCC[C@H]2c2cccc(F)c2)cc1C 40153834 UZDIWGSFOAVGCY-INIZCTEOSA-N 317.360 3.851 0 40 DHAB CSCc1cccc(NC(=O)c2cc3occc3n2C)c1 40287974 UUTYGAIAUWJDEZ-UHFFFAOYSA-N 300.383 3.887 0 40 DHAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccccn1 48366275 WZLMUSAHRCPOSM-OAHLLOKOSA-N 301.777 3.712 0 40 DHAB Cc1c(C(=O)Nc2cnc3ccccc3c2)[nH]c2c1C(=O)CCC2 55455429 BSZWMXMCXIVRQO-UHFFFAOYSA-N 319.364 3.643 0 40 DHAB CC(C)c1nn(C)cc1C(=O)N1CCC(c2ccccc2)CC1 65475448 LGJNWLWHOWEARL-UHFFFAOYSA-N 311.429 3.563 0 40 DHAB Cc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)cc1C 69538527 DLQHYDLHSGSHPD-UHFFFAOYSA-N 302.462 3.688 0 40 DHAB CC(C)(C)OC(=O)n1ncc2cc(F)c(Br)cc21 71790120 PYSWPZXWCOIKDK-UHFFFAOYSA-N 315.142 3.721 0 40 DHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1Cc1ccc(F)cc1 71836478 PTQDXIUOPPQAQY-IXDOHACOSA-N 313.372 3.756 0 40 DHAB Cc1ccc(CCCC(=O)NCc2nnc(C(C)C)s2)cc1 75094475 PDHDKRGSTHLHPB-UHFFFAOYSA-N 317.458 3.609 0 40 DHAB COc1ccc(CNC/C(C)=C/c2ccccc2)cc1NC(C)=O 78979869 RRBKGILPOMSSMA-RVDMUPIBSA-N 324.424 3.847 0 40 DHAB Cc1cc(C)c(CCNCc2c[nH]nc2-c2cccnc2)c(C)c1 79921022 GQGJHWHDAIGELF-UHFFFAOYSA-N 320.440 3.729 0 40 DHAB NC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 90558180 ZOIBKAPMRJHRNY-HNNXBMFYSA-N 317.751 3.709 0 40 DHAB C[C@@H](NC(=O)[C@H](C)C1CCOCC1)c1nc(C(C)(C)C)cs1 95439500 USJQZWLCFZVUCQ-VXGBXAGGSA-N 324.490 3.681 0 40 DHAB C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)CC1(O)CCCCC1 95455934 GMMAQSYEPXDLMF-KGLIPLIRSA-N 319.420 3.745 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1C(C)C 95981248 SUQOARDAWXZKJD-NEPJUHHUSA-N 304.434 3.767 0 40 DHAB Cc1cc(F)ccc1C(=O)N(Cc1ccccn1)c1ccncc1 95996670 ZSGNCQHXUCMFPU-UHFFFAOYSA-N 321.355 3.771 0 40 DHAB Cc1cc(CCCC(=O)Nc2cccc(N(C)C)n2)c(C)s1 96006493 LEJCUGIKJGWCBD-UHFFFAOYSA-N 317.458 3.787 0 40 DHAB CCc1nc(-c2cc(C(=O)N(C)CC)c3ccccn23)cs1 96154821 LTEMMLOYUBMGSD-UHFFFAOYSA-N 313.426 3.717 0 40 DHAB Cc1ccc(NC(=O)[C@@]23CC[C@](C)([C@H](O)C2)C3(C)C)cc1C 100961968 NBKTZKPRHJRMLH-ATZDWAIDSA-N 301.430 3.819 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 170387668 FFINUKKXZOELDM-BBRMVZONSA-N 316.445 3.618 0 40 DHAB CSc1ccccc1NC(=O)c1cnc(C(C)C)nc1C 222574082 SEEWOZGQHYVPPT-UHFFFAOYSA-N 301.415 3.883 0 40 DHAB CCOc1ccc(CNC(=O)CCc2ccc(C)c(C)c2)cc1 223965176 LMSDJMKUPDSRTE-UHFFFAOYSA-N 311.425 3.951 0 40 DHAB COc1cccc(C[C@H](Oc2ccccc2C(C)C)C(=O)O)c1 225099741 WXUGHOLZINUEIO-SFHVURJKSA-N 314.381 3.893 0 40 DHAB Cc1nc(/C=C2/SCCN2C(=O)c2ccccc2F)cs1 225259638 YKUKLPZDKURWOY-RIYZIHGNSA-N 320.414 3.778 0 40 DHAB CCN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 409074199 KXPHFIIIDFNJKP-GXDHUFHOSA-N 316.357 3.673 0 40 DHAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N1C[C@@H]2CCC[C@H]21 531623601 TXOTUKDLLXPXEU-WMLDXEAASA-N 322.412 3.766 0 40 DHAB O=C(c1ccc(Br)c(F)c1)C(F)(F)C(F)(F)F 575243205 SNTCRUJKQKJDIX-UHFFFAOYSA-N 321.014 3.969 0 40 DHAB CC(C)[C@@H]1N(C(=O)Nc2cnc(C(C)(C)C)nc2)CC12CCC2 578715497 GZWOFIOIUKAKRG-AWEZNQCLSA-N 316.449 3.817 0 40 DHAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(O)cc12 36621 DGTIEXDBQRVGSQ-UHFFFAOYSA-N 309.365 3.880 0 40 DHAB O=C1c2ccccc2N(c2ccccc2)C(=O)C1(Cl)Cl 135363 NBWVSBMFATXBKU-UHFFFAOYSA-N 306.148 3.722 0 40 DHAB Cc1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1 338094 SNLZFYCLKRYSET-UHFFFAOYSA-N 305.168 3.945 0 40 DHAB COc1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 362074 WGLHRXOYSJCHDB-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB Cc1ccc(NC(=O)CCSc2nc(C)cc(C)n2)cc1 386144 HOMBPURWMPTTKJ-UHFFFAOYSA-N 301.415 3.523 0 40 DHAB CN(C)[C@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C/c1ccccc1 1568917 OVQQEGZJIGLKBO-LDZZWFCLSA-N 321.420 3.861 0 40 DHAB COc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 3353271 HSYYSYWCMITHNW-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 5262985 SEJAPVINNLUNSG-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB CCN(Cc1ccccc1)C(=O)c1cc2ccc(OC)cc2[nH]1 5347745 HUWFIJNPTABETE-UHFFFAOYSA-N 308.381 3.839 0 40 DHAB O=C(NCCCNC1CCCCC1)C12CC3CC(CC(C3)C1)C2 5621467 KYCAIUUNKFMUAM-UHFFFAOYSA-N 318.505 3.631 0 40 DHAB C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccccc1 7146311 JHEMLRKWSXSVPO-CYBMUJFWSA-N 303.402 3.936 0 40 DHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1c(F)cccc1F 7878333 YROOBAREXQQXLF-SNVBAGLBSA-N 322.380 3.584 0 40 DHAB CC(C)C(=O)Nc1cccc(-c2nc(-c3ccccc3)no2)c1 8559165 ZBFJTZNRIPJAHY-UHFFFAOYSA-N 307.353 3.998 0 40 DHAB Cc1ccc2oc(C(=O)Nc3ccc(OC(F)F)cc3)cc2n1 8798725 JYJSXFLHLFPETN-UHFFFAOYSA-N 318.279 3.990 0 40 DHAB COc1ccc2c(c1)[nH]c1c(=O)n(CCC3=CCCCC3)cnc12 8829136 PKSATKVQCBNLJS-UHFFFAOYSA-N 323.396 3.777 0 40 DHAB Cc1cc(C)c(NC(=O)COc2cccc3c2CCC3=O)c(C)c1 10197758 GGUFUNGFGKISSN-UHFFFAOYSA-N 323.392 3.758 0 40 DHAB COc1ccccc1NCc1cc2ccc(C)c(C)c2[nH]c1=O 12492961 JJYRPJMELGTWCT-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB Cc1ccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 12854077 WUBYEQYZDZTBAP-UHFFFAOYSA-N 320.396 3.845 0 40 DHAB CN(C)Cc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 12914544 QQWACIVIYKMTMD-UHFFFAOYSA-N 320.339 3.602 0 40 DHAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccccc1 13709586 UIVMRMSKGNJBME-CYBMUJFWSA-N 303.789 3.766 0 40 DHAB C1=CC[C@@H](CN(CCCn2ccnc2)Cc2ccncc2)CC1 13991187 GDXZNXRJJUYZGU-GOSISDBHSA-N 310.445 3.527 0 40 DHAB O=C(NC1CC1)[C@H](Oc1ccccc1Cl)c1ccc(F)cc1 14073054 AKCIQDWRSALMQM-MRXNPFEDSA-N 319.763 3.878 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1nc(Cl)ccc1Cl 16019851 REKYZWKLXWXXCO-UHFFFAOYSA-N 307.140 3.517 0 40 DHAB CC(C)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20110603 DTIVWVFYXDZSIO-UHFFFAOYSA-N 319.426 3.803 0 40 DHAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(F)c1 20138144 NBPMXZIYUUTYLY-UHFFFAOYSA-N 311.312 3.830 0 40 DHAB CCCc1c(C)n(CCC(C)C)c2nc3ccccc3n2c1=O 20798302 UVFHYVJKSXAYOA-UHFFFAOYSA-N 311.429 3.956 0 40 DHAB O=S(=O)(Oc1ccc(F)cc1Cl)c1cc(F)ccc1F 20822449 JTSZFIIIXZJDNN-UHFFFAOYSA-N 322.691 3.525 0 40 DHAB O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1ccccc1F 24748646 FSHQRLUTAPCNGZ-UHFFFAOYSA-N 316.307 3.566 0 40 DHAB CCCc1nnc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)s1 27794641 CYYZOHQAXKTHEN-LBPRGKRZSA-N 319.430 3.513 0 40 DHAB CN1C(=O)c2ccccc2N[C@H]1c1csc(Br)c1 28923094 BBOBGTLMNQMOOQ-GFCCVEGCSA-N 323.215 3.707 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1c[nH]c2ccc(F)cc2c1=O 32606236 CFPOFHIXAPRMTJ-UHFFFAOYSA-N 316.719 3.573 0 40 DHAB O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(F)c2)no1 32833222 HZKOEJJTTLHVOM-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB Cc1cc(C)n(CC(=O)Nc2ccc(Nc3ccccc3)cc2)n1 32843961 VTBDBNWYVOGAIP-UHFFFAOYSA-N 320.396 3.882 0 40 DHAB CC(=O)Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 32961221 AIMHKTGTYYYSFU-UHFFFAOYSA-N 311.366 3.507 0 40 DHAB Cn1ccnc1[C@H](NC(=O)CC1CCCCC1)c1ccccc1 36660059 UYHTZHVFWGIYIQ-GOSISDBHSA-N 311.429 3.596 0 40 DHAB O=C(Nc1ccccc1F)[C@@H]1CCCN(Cc2ccccc2)C1 38849217 SCBQQUWCBLSALZ-MRXNPFEDSA-N 312.388 3.676 0 40 DHAB COc1ccc(C2=CCN(C(=O)c3ccc(F)cc3)CC2)cc1 40119714 LSLLSMRSJCMWOX-UHFFFAOYSA-N 311.356 3.764 0 40 DHAB COc1ccc([C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 44900209 MBKKYIXQKHAPOH-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB CCCCN(CC)C(=O)Nc1cccc(Cn2cccn2)c1 44935740 UQVKTPMWAYDAEH-UHFFFAOYSA-N 300.406 3.585 0 40 DHAB O=C(Nc1ccncc1)c1cccnc1Nc1cccc(F)c1 45008360 KJTSMKBJMSTLQY-UHFFFAOYSA-N 308.316 3.612 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2F)cc1 51354299 SBCLWZBNKIFKBU-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB CCc1ccc(NC(=S)NCCCN2CCCCCC2)cc1 61247042 ARENNJWBHAYNNR-UHFFFAOYSA-N 319.518 3.802 0 40 DHAB Cc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2ccncc2)C2CC2)s1 65607085 QISHWZOJYWPSCG-HZPDHXFCSA-N 312.438 3.746 0 40 DHAB COCc1ccccc1CNC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 65610938 BACZEWCNPAJJSA-JKSUJKDBSA-N 315.438 3.623 0 40 DHAB CCc1ccsc1C(=O)Nc1ccc(F)c(NC(=O)OC)c1 66487522 MTDYXMYYAXWYQO-UHFFFAOYSA-N 322.361 3.880 0 40 DHAB CCc1nnc(S[C@@H](C)c2ccc(OC)c(Cl)c2)n1C 69620547 IWJBWLSJECYMKG-VIFPVBQESA-N 311.838 3.893 0 40 DHAB Cc1ncc(CN(C)C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)s1 69776434 DHMQWLBXUAJBEQ-HUUCEWRRSA-N 320.845 3.867 0 40 DHAB O=C(NCCc1cccs1)N[C@@H]1CCCOc2ccccc21 72061543 UFROFHQUUMIAPB-OAHLLOKOSA-N 316.426 3.504 0 40 DHAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@@H]1c1nccs1 72285933 WPSPELQKKCGEFZ-RBSFLKMASA-N 322.474 3.792 0 40 DHAB CC(C)(C)[C@H](Cc1ccccc1)Nc1cc(Cl)nc(N)n1 72286529 NIFYFTBOZRTYLR-LBPRGKRZSA-N 304.825 3.782 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)c1C 72427504 XGOPCFZWWSBTEH-UHFFFAOYSA-N 307.353 3.651 0 40 DHAB COc1csc(C(=O)N(C2CC2)[C@H](C)c2ccccn2)c1 78974278 HIXXJWWLGPDXCT-LLVKDONJSA-N 302.399 3.518 0 40 DHAB C[C@@H](NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 95419735 NJFKIUJRPMXIFZ-MFKMUULPSA-N 313.369 3.979 0 40 DHAB Cc1ccc([C@@H](C)NCCc2nccn2Cc2ccccc2)o1 95420012 WWJRVQASSAKUIC-MRXNPFEDSA-N 309.413 3.726 0 40 DHAB C[C@H]1C[C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)CCO1 95457627 XWPAHWYINYZIJX-UWVGGRQHSA-N 317.216 3.930 0 40 DHAB Cc1nc([C@@H]2C[C@@H]3CCN(Cc4ccoc4)C[C@H]3O2)sc1C 96046308 KRWNDGNDVJNABQ-HRCADAONSA-N 318.442 3.705 0 40 DHAB Cc1csc(C(=O)NCC[C@@H](O)c2cc3ccccc3o2)c1 96097202 PNMPKGRRSOHXBE-CYBMUJFWSA-N 315.394 3.656 0 40 DHAB CNc1ncc(C(=O)N2CCC(=Cc3ccccc3)CC2)s1 97031968 KIBTUMYWBOASIC-UHFFFAOYSA-N 313.426 3.504 0 40 DHAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1 101275339 QFBZDZMEHRMCDW-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB C[C@@H](Nc1ccc(Cl)c(C[S@](C)=O)c1)c1ccccn1 191176653 WRZBXGWXFWRZKK-GIPWTMENSA-N 308.834 3.787 0 40 DHAB Cc1ccccc1O[C@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1N 218867846 DIKKZBGQGPTGNT-ZMMAXQRCSA-N 302.462 3.545 0 40 DHAB CCOc1ccc(C(=O)Nc2nnc(SCC)s2)cc1C 223423809 ILQFQIYMZNIYTL-UHFFFAOYSA-N 323.443 3.610 0 40 DHAB CCN(CC)C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@H](C)O 225437002 XHLJCTKICTYVRU-JTQLQIEISA-N 322.792 3.530 0 40 DHAB biogenic,in-vitro CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1 225896368 MTOFLPQOTRVKBC-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@H](CCCO)C2 256050011 CHJLUEUYFAAVHZ-CQSZACIVSA-N 305.418 3.681 0 40 DHAB CCCc1nc(SCC(=O)NC(C)(C)C)c2ccccc2n1 1342693 ZDSDKNRJDIVCJZ-UHFFFAOYSA-N 317.458 3.589 0 40 DHAB CCN(CC)C[C@@H](Cc1ccccc1)OC(=O)c1ccccc1 1672769 DKBDJHZDEDMZPN-LJQANCHMSA-N 311.425 3.797 0 40 DHAB CCCc1ccc(OCCCC(=O)Nc2nnc(C)s2)cc1 1787223 JHFCRHAEKUNECS-UHFFFAOYSA-N 319.430 3.597 0 40 DHAB CC(C)CC[C@]1(CCN2C(=O)CCC2=O)CCO[C@@H](C(C)C)C1 2111814 ANCPIMCKINDVSO-APWZRJJASA-N 323.477 3.783 0 40 DHAB biogenic CCCSc1nc(N)c2c3c(sc2n1)CO[C@H](C(C)C)C3 2216241 FRWBCUIENOTJQN-JTQLQIEISA-N 323.487 3.873 0 40 DHAB Cc1ccc(-c2noc(-c3ccccc3C(=O)NC(C)C)n2)cc1 2419418 ZVTJUAWERKPGHU-UHFFFAOYSA-N 321.380 3.850 0 40 DHAB O=C(c1cc(F)cc(Cl)c1)c1ccccc1CN1CCC1 2515631 XAXHFCGLWBIMGG-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)c1sccc1C 3342159 LUVBVGOSUFWGNR-UHFFFAOYSA-N 304.367 3.625 0 40 DHAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)C1CCCC1 4032998 CNUHVAISLIVBJN-UHFFFAOYSA-N 306.369 3.525 0 40 DHAB CSc1ccccc1NC(=O)C(=O)c1c[nH]c2ccccc12 4163221 QZQIGRXNYIFQEJ-UHFFFAOYSA-N 310.378 3.711 0 40 DHAB C/C=C/C=C/C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 8009542 WEYWFCDUNBXKQY-RJZLBLBSSA-N 309.413 3.580 0 40 DHAB CC(=O)Nc1ccc(CN[C@H]2CCSc3ccccc32)cc1 8328275 OSOBRUNZSHORGS-KRWDZBQOSA-N 312.438 3.972 0 40 DHAB COc1cccc(CNC2CC2)c1OCc1ccc(F)cc1 8495356 UQIZEOOBECYJBN-UHFFFAOYSA-N 301.361 3.665 0 40 DHAB O=c1[nH]nc(-c2ccccc2)c2c(/C=C\c3ccccc3)onc12 8655223 VRYKFIRXOJNVEI-QXMHVHEDSA-N 315.332 3.749 0 40 DHAB COc1ccc(Cl)cc1CC(=O)Nc1ccccc1OC 8942995 KKKCCKPQNJTRLK-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CC=C(c3ccccc3)CC2)c1C 9478564 FHFJAENUVCEREM-UHFFFAOYSA-N 322.408 3.764 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12 12291259 MPJFKSRCLLYBNQ-UHFFFAOYSA-N 303.427 3.569 0 40 DHAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1C 12525405 ASGYYOAKSIGYQE-INIZCTEOSA-N 319.408 3.980 0 40 DHAB COc1ccc(SCC(=O)c2ccc(NC(C)=O)cc2)cc1 12810950 VZGKFOMMLYGSOV-UHFFFAOYSA-N 315.394 3.629 0 40 DHAB C[C@@H]1CCc2c(sc3ncnc(NCC[C@@H]4CCCO4)c23)C1 12878095 UMCCFAUDHUYWTE-NEPJUHHUSA-N 317.458 3.797 0 40 DHAB CCOc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 13015910 LWIOZVKDGYZPLW-ZDUSSCGKSA-N 317.360 3.939 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)NCCC2=CCCCC2)c1 17335235 MRIZECNMVGFYIE-UHFFFAOYSA-N 316.401 3.875 0 40 DHAB CCc1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)on1 19522771 QNPXYBONLNWHNH-NBMJBFSESA-N 324.424 3.939 0 40 DHAB CN(C)CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 19872314 XNMBSXOODBHNGL-UHFFFAOYSA-N 313.228 3.905 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccs2)c1 21204259 RDRWHGAVKVTXQK-CQSZACIVSA-N 317.410 3.743 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)CCc1c[nH]c2ccccc12 22534218 FZUFNVXGKMAJBB-DYTRJAOYSA-N 307.397 3.552 0 40 DHAB CN(C(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2s1 24990952 UPCQTTAJCCKFGO-UHFFFAOYSA-N 322.433 3.991 0 40 DHAB c1ccc2c(c1)-c1nc3ccccc3cc1[C@@H]2N1CCOCC1 31637925 GCVZMKPZSVQVNL-HXUWFJFHSA-N 302.377 3.637 0 40 DHAB in-vitro COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccccc1 32502451 GFNJWMRYCZPUCQ-GOSISDBHSA-N 324.424 3.607 0 40 DHAB COc1cccc(CNC(=O)c2cc(C)nc3ccc(C)cc23)c1 32990819 MJLMWEZLWGQZLV-UHFFFAOYSA-N 320.392 3.790 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccnc2)on1 33250612 ZPXWFRMAQVKXPG-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB Cc1noc(C)c1C(=O)NCC(c1ccccc1)c1ccccc1 36764554 BIWHYAKMEBLGLH-UHFFFAOYSA-N 320.392 3.853 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)C2CCCC2)cc1OC 40488845 MQMUNFKXAVZPPA-OAHLLOKOSA-N 303.402 3.558 0 40 DHAB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)N1CCCC1 46981403 WPHAJVBNIIDFPI-UHFFFAOYSA-N 321.833 3.769 0 40 DHAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 52410752 PMGQMHFMZPVZLR-UHFFFAOYSA-N 324.409 3.532 0 40 DHAB CCC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 54631102 HGWQGXFKLYTNPP-UHFFFAOYSA-N 317.408 3.797 0 40 DHAB Cc1nc(-c2cccc(NC(=O)NCc3ccoc3)c2)oc1C 56739017 ZTBPNOOKSJLFAW-UHFFFAOYSA-N 311.341 3.873 0 40 DHAB CCCCc1noc([C@@H](C)N2CCN(CCC(C)(C)C)CC2)n1 57992258 DTYBEWIOGWDOKQ-OAHLLOKOSA-N 322.497 3.527 0 40 DHAB Cc1ncc(CN(C)C(=O)c2cc(C(C)C)ccc2O)s1 58264142 SMIXNUUTNLBWCY-UHFFFAOYSA-N 304.415 3.553 0 40 DHAB CCC(=O)Nc1ccc2c(c1)nc(CN1CCCC1)n2C(C)C 65322485 KYOCBSIXSAXTGY-UHFFFAOYSA-N 314.433 3.562 0 40 DHAB O=C(Nc1ccn(-c2ccccc2)n1)[C@H]1C[C@H]1c1cccc(F)c1 67033832 JJIPEJPFZHKJLB-IRXDYDNUSA-N 321.355 3.754 0 40 DHAB O=C(c1ccoc1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 69414583 YTUUAGUYVVANQS-OALUTQOASA-N 324.424 3.549 0 40 DHAB CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1nccs1 69530554 FZNSDLIPHBTILD-UHFFFAOYSA-N 319.773 3.728 0 40 DHAB Cc1nnc(SC[C@@H](O)c2ccc(C(F)(F)F)cc2)s1 71948557 PNFPPOOJKKBPGX-SNVBAGLBSA-N 320.361 3.691 0 40 DHAB COC[C@@H](NC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(C)C 72295797 PRXGYLBKCGQIFD-QGZVFWFLSA-N 302.418 3.692 0 40 DHAB CN(CCc1cccs1)C(=O)NCc1cc2ccccc2[nH]1 73914790 FSEOYQLNKZGAKX-UHFFFAOYSA-N 313.426 3.614 0 40 DHAB Cc1nc([C@H]2CCCN2Cc2csc(C3CCCC3)n2)no1 75573091 BKEUREXSJYJJBR-CQSZACIVSA-N 318.446 3.829 0 40 DHAB COc1cc(CCNC(=O)N(C)[C@@H](C)c2ccco2)ccc1C 76020980 XRIBVVXJBAVPOH-AWEZNQCLSA-N 316.401 3.542 0 40 DHAB COc1ccc(C[S@@](=O)[C@H](C)c2ccccc2F)cc1F 78556199 UWPGOQDMEPMPST-FIKIJFGZSA-N 310.365 3.983 0 40 DHAB Cc1cc([C@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)n[nH]1 78902462 GWIQZGRIQKPCJF-SJORKVTESA-N 323.440 3.544 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)c3ccncc3)cc2)nc1 79094346 AHPNAUWINBHYNW-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CN(C(=O)Nc1ccc(C2CC2)nn1)C1CCCCCCC1 83855643 QJMWKOTZTXYENJ-UHFFFAOYSA-N 302.422 3.931 0 40 DHAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@H]1c1ccncc1 84615105 TVYUPJFAINYETC-ZOAJIZILSA-N 310.441 3.817 0 40 DHAB CCOC(=S)SCC(=O)c1ccc(N2CCCC2)cc1 95092976 PYDWBBNOKQDQGS-UHFFFAOYSA-N 309.456 3.524 0 40 DHAB CC(C)c1nc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cs1 95437455 IPPWJIGSPWLOAK-ZNMIVQPWSA-N 306.475 3.704 0 40 DHAB CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(C)sc1C 95969193 OAOSOSPTSMPRRU-SMDDNHRTSA-N 304.463 3.705 0 40 DHAB O[C@H](Cn1ccnc1-c1cccs1)c1c(F)cccc1F 95974657 DFASOXHSLAHUQR-GFCCVEGCSA-N 306.337 3.623 0 40 DHAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 96058413 AXBXJEBMMWIAMQ-OALUTQOASA-N 312.482 3.596 0 40 DHAB COCc1ccccc1C(=O)N1CC=C(c2cccs2)CC1 96409965 NUSOEAPADKOEKF-UHFFFAOYSA-N 313.422 3.824 0 40 DHAB C[C@@H](Oc1cccnc1NCc1cncn1C)c1ccccc1 97094791 YBNDUGJBTMIXOV-CQSZACIVSA-N 308.385 3.567 0 40 DHAB CC(C)N(C[C@H](O)CO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(C)C 101244121 MPYNMCRQCDYTCP-DWRORGKVSA-N 311.510 3.698 0 40 DHAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223244485 RRIHTLRAMPFCMA-HNNXBMFYSA-N 309.409 3.740 0 40 DHAB Cc1cccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 224281835 HITMICITEXJNIC-UHFFFAOYSA-N 323.327 3.969 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COC 224684134 SPBMALGBYRQOAQ-UHFFFAOYSA-N 303.333 3.623 0 40 DHAB Cc1c(Cl)cccc1N(C)S(=O)(=O)c1ccc(F)cc1 224913548 IMEVDJYDISRCCW-UHFFFAOYSA-N 313.781 3.613 0 40 DHAB Cc1ccc(C(=O)NCCSCc2ccco2)c(Cl)c1 224995987 JJIMHVMOXFLVFW-UHFFFAOYSA-N 309.818 3.905 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC[C@@H](C)C1 225425595 JBVPPLOBVBCMRB-BEFAXECRSA-N 315.457 3.981 0 40 DHAB C[C@H](CCN1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 225584664 ZTLYKZYTKZAMLB-MSOLQXFVSA-N 317.473 3.698 0 40 DHAB Cc1cc(C=O)c(C)n1NC(=O)c1cc2cc(Cl)ccc2o1 408565943 CNOXOZYIJZEFTB-UHFFFAOYSA-N 316.744 3.701 0 40 DHAB O=C(CCc1cccnc1)N[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 409412763 AGOQOTOIUNIUBI-UYWIDEMCSA-N 320.436 3.713 0 40 DHAB Oc1cccc(OCCC(F)(F)C(F)(F)Br)c1 1083811079 UIJFTBKUZLKDCS-UHFFFAOYSA-N 317.076 3.784 0 40 DHAB CCc1cnc(NC(=O)c2ccc3ccc(Cl)cc3n2)o1 1543593687 UHCFDDJWSCAIAN-UHFFFAOYSA-N 301.733 3.691 0 40 DHAB O=C(COc1cccc2ccccc12)N1CCc2ccccc21 37586 GGNYOMKIEQJHFO-UHFFFAOYSA-N 303.361 3.808 0 40 DHAB CC1CCC(n2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1 425074 OOAAOFNIWJHOPY-UHFFFAOYSA-N 318.398 3.539 0 40 DHAB Cc1nn(C(=O)c2ccc3ncccc3c2)c2c1[C@H]1[C@@H](C2)C1(C)C 485960 JJAIUFGYGBURLA-RDTXWAMCSA-N 317.392 3.724 0 40 DHAB biogenic CCOc1nc(C)ccc1-c1noc(-c2cccc(OC)c2)n1 498723 NPRCUMYTCHWITM-UHFFFAOYSA-N 311.341 3.514 0 40 DHAB CCOC(=O)c1sc(SCCOc2ccccc2)nc1C 2394470 STTKXAMXNDNNEL-UHFFFAOYSA-N 323.439 3.799 0 40 DHAB Cc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1 3331317 ULECSQOEZGMLPO-UHFFFAOYSA-N 308.425 3.554 0 40 DHAB Cc1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1 3359338 UCQZIDYEPARDDJ-UHFFFAOYSA-N 302.377 3.742 0 40 DHAB O=C(COC(=O)c1cccc(F)c1)Nc1cccc2ccccc12 3405235 NHAHSXXQZHUVJM-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB Cc1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl 3606602 OWCBMYOATSGKSO-UHFFFAOYSA-N 324.207 3.997 0 40 DHAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 4591649 BXWTYBDFRSRDAC-VLIAUNLRSA-N 322.408 3.926 0 40 DHAB CC1=C[C@H](C)[C@@H](C(=O)OCC(C)C)[C@@H](C(=O)OCC(C)C)C1 4803891 HTQRIGKYTISTRY-HRCADAONSA-N 310.434 3.603 0 40 DHAB COc1ccc(/C(=C/c2c[nH]c3ccccc23)C(=O)O)cc1OC 6182202 MMBKONLJOJAWSB-DHDCSXOGSA-N 323.348 3.810 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1C 6316257 RCFKWLDDSCQDQC-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CCCN1C(=O)S/C(=C/c2ccc(OC)c(Cl)c2)C1=O 6656549 DKYGEIVISTUVKZ-XYOKQWHBSA-N 311.790 3.795 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc2cccnc12 7709445 JSBJTOOYLBVNCZ-ACCUITESSA-N 310.378 3.647 0 40 DHAB COc1ccc(S[C@H](C)C(=O)N2CCc3ccccc32)cc1 7790362 INMLDZAKVBVDMM-CYBMUJFWSA-N 313.422 3.765 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(Cl)cc1 8041270 LLNYDDVBPPCNIS-HNNXBMFYSA-N 321.779 3.953 0 40 DHAB CCCOc1ccccc1NC(=O)/C=C/c1csc(C)n1 8924440 PAYRWGPLPKLEHD-CMDGGOBGSA-N 302.399 3.892 0 40 DHAB CC(C)c1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 12911671 MTOWKLPCFBPRPK-UHFFFAOYSA-N 322.408 3.955 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1 13187012 HHQIOZNZSPKSTP-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2s1 13549925 BJZUVKVWKVGPDC-UHFFFAOYSA-N 307.378 3.959 0 40 DHAB C[C@@H](Sc1ccccn1)C(=O)NCc1ccccc1Cl 15807563 JGVMKMZIMVAKGI-LLVKDONJSA-N 306.818 3.532 0 40 DHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H]2C[C@@H]2C)n1 19240128 OTODIUSYVOENSR-XDTLVQLUSA-N 306.456 3.569 0 40 DHAB O=C(Cc1cccs1)Nc1ccc(OCC(F)(F)F)cc1 23042360 ZCYKBLYXNXKNHW-UHFFFAOYSA-N 315.316 3.870 0 40 DHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCOCC1 25134897 MYOCHKIGPFYBEK-UHFFFAOYSA-N 307.699 3.724 0 40 DHAB CCc1nc(Nc2cccc3ncccc23)c2c(n1)c(C)nn2C 32501961 HAJXNYQKQWQAEX-UHFFFAOYSA-N 318.384 3.526 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)NCC1CCCCC1 32855990 DRSFHJCPFFXUOB-UHFFFAOYSA-N 300.377 3.992 0 40 DHAB COc1cc(Cl)c(NC(=O)c2sccc2C)cc1OC 32883019 CNZUTSQLFKMWIL-UHFFFAOYSA-N 311.790 3.979 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(NC(=O)C2CC2)cc1 32975237 IVLBXQLNBVTWPJ-CYBMUJFWSA-N 320.392 3.627 0 40 DHAB O=C1S/C(=C/c2ccccc2)C(=O)N1C(=O)c1ccccc1 33669469 PNXNXIYQZWURQC-SDNWHVSQSA-N 309.346 3.563 0 40 DHAB CC(C)C[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1 40773593 FELQYYJAGCMDJT-FZMZJTMJSA-N 300.240 3.507 0 40 DHAB O=C(/C=C/c1cccc(-c2ccccc2)c1)Nc1nncs1 42857525 BPGCMVNGWQWYNK-MDZDMXLPSA-N 307.378 3.857 0 40 DHAB CC(=O)Oc1ccccc1C(=O)c1ccccc1C(F)(F)F 43209751 XVJSAINOAGETFQ-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1cccc(C)c1 53521449 XWFZTNSQSFNRMS-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB Cc1nc(-c2cccs2)ccc1C(=O)N(C)Cc1ccco1 57915140 AVXOHXCGSKVXKY-UHFFFAOYSA-N 312.394 3.984 0 40 DHAB Cn1cc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)cn1 58313926 SLUOIOOMBXGDMN-UHFFFAOYSA-N 317.392 3.503 0 40 DHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCc2ncccc21 58341978 DDHGKKIVJPTJOP-UHFFFAOYSA-N 306.287 3.693 0 40 DHAB COC[C@@H](C)c1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 58431531 PJCMDEIRXCYWQM-SECBINFHSA-N 324.471 3.566 0 40 DHAB CCN(C(=O)C1=NO[C@@H](c2ccccc2)C1)c1ccccc1C 59423568 RVUJWVTZYQBURO-GOSISDBHSA-N 308.381 3.866 0 40 DHAB CCN(CC)CCCCNCc1cc2cccc(OC)c2o1 67449867 SXERXLXJVUBRGP-UHFFFAOYSA-N 304.434 3.653 0 40 DHAB Cc1nc(CC(C)C)sc1C(=O)Nc1nnc(C2CC2)s1 67957908 RPEWHLXISHPIER-UHFFFAOYSA-N 322.459 3.631 0 40 DHAB Cc1ccc(C)c(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2)c1 69806785 GVPOIIOFYCDGEQ-IVZQSRNASA-N 315.438 3.579 0 40 DHAB CC(C)N(C(=O)[C@H](C)N(C)Cc1ccccc1Cl)C(C)C 71920736 CQXAVYFEJWXMED-AWEZNQCLSA-N 310.869 3.806 0 40 DHAB CCN(CC)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72212833 UMUKMRYXDNLCJZ-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB CCN1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214515 ZDVKJQRKFCQYSR-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB Cc1coc(-c2ccc(C)c(NC(=O)Cc3cccc(O)c3)c2)n1 84185984 DZLGKDLWJHJGDM-UHFFFAOYSA-N 322.364 3.845 0 40 DHAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1C[C@H]1c1ccccc1 84525436 PGXJSSPASSVMOC-GJZGRUSLSA-N 321.405 3.947 0 40 DHAB CCc1cccc(C)c1NC(=O)Cc1ccccc1C(=O)OC 95457305 XWUOREZWTQTOTI-UHFFFAOYSA-N 311.381 3.525 0 40 DHAB CN(C(=O)c1cc(C2CC2)on1)[C@H](c1ccc(F)cc1)C1CC1 95960761 LTFXTTSMDNEVLA-KRWDZBQOSA-N 314.360 3.914 0 40 DHAB CSC(C)(C)CNC(=O)Nc1cccc(-c2ncc(C)o2)c1 96434791 CJXYRCZRKSAODV-UHFFFAOYSA-N 319.430 3.913 0 40 DHAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncc(-c2ccccc2)o1 96436878 DXXOTKFQKODPAO-LLVKDONJSA-N 320.352 3.684 0 40 DHAB CC[C@H](NC(=O)OC(C)(C)C)c1nc(Cc2ccccc2)no1 96482502 LGTPKWSAHYJNDS-ZDUSSCGKSA-N 317.389 3.636 0 40 DHAB Cc1ncsc1CCN(C)[C@H]1CCCN(c2ccccc2)C1 97011839 FKGFIGPNXRDNCO-KRWDZBQOSA-N 315.486 3.595 0 40 DHAB CC[C@@H](N[C@H](C)c1nnc(C)o1)c1ccc(Br)cc1 97033004 ZQZJYIWZZZBWAS-NOZJJQNGSA-N 324.222 3.942 0 40 DHAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1ccc(F)c(F)c1 106789064 BZEBIVQVTUXHKV-OCBCSQNSSA-N 322.399 3.501 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)N2CCc3ccccc3C2)c1 218964338 QSERFKNEZUPWPY-UHFFFAOYSA-N 309.409 3.576 0 40 DHAB CC(C)c1ccccc1OCC(=O)NCCSC1CCCC1 223233555 IVJGXYIOLKGAQX-UHFFFAOYSA-N 321.486 3.981 0 40 DHAB Cc1ccc(C)c(CC(=O)NCCOc2ccc(Cl)cc2)c1 224391529 BJWADGWHCIRRLU-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCC1CCCCC1 224465520 XGIJUNHNXSJBAF-KRWDZBQOSA-N 305.418 3.549 0 40 DHAB CCOc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 224683077 QOWKNNUYWSOMSA-UHFFFAOYSA-N 319.426 3.609 0 40 DHAB COc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c(C)c1 225587439 YXOGCYHUOIMDMO-HNNXBMFYSA-N 313.397 3.509 0 40 DHAB Cc1ccc(C(=O)NCc2nc(-c3ccccc3C)no2)c(C)c1 225653115 RIYAMCAUABUQOA-UHFFFAOYSA-N 321.380 3.592 0 40 DHAB Cc1ccc(-c2nnsc2C(=O)NC2CCCCCC2)cc1 225772785 SREYRRCUDNGOLB-UHFFFAOYSA-N 315.442 3.966 0 40 DHAB COc1ccc(C(F)(F)C23CC(c4cnccn4)(C2)C3)cc1 575624283 XARNVZSFKXQMLR-UHFFFAOYSA-N 302.324 3.699 0 40 DHAB CC(C)CCN1CCC[C@@]2(CCCN2C(=O)c2ccoc2)CC1 585100143 GTVFSBRPRUKMOI-LJQANCHMSA-N 318.461 3.786 0 40 DHAB CO[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1ccc(F)cc1 1615190136 AVMKZCYPORDCGV-IRXDYDNUSA-N 320.433 3.504 0 40 DHAB CCc1ccc(-c2cc3c(=O)n(CC4CCC4)ccn3n2)cc1 1775968109 JDKXCHZSMAGQIY-UHFFFAOYSA-N 307.397 3.526 0 40 DHAB CCn1nccc1-c1cc(CC2CCN(C(C)C)CC2)ccn1 2037670896 FFTBGLSNBZUQGR-UHFFFAOYSA-N 312.461 3.628 0 40 DHAB COC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 149987 GPVOSRWCXYBDCC-UHFFFAOYSA-N 317.288 3.772 0 40 DHAB Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)NC(C)C)cc2)n1 347197 YLKGAQRBFBOMRI-UHFFFAOYSA-N 319.408 3.986 0 40 DHAB O=C(C[C@H](c1ccccc1)c1ccccc1O)N1CCCCC1 521580 ALVVMUBVGMUFLS-GOSISDBHSA-N 309.409 3.927 0 40 DHAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1 1096403 NTKWNAHPPVLDIX-UHFFFAOYSA-N 310.397 3.613 0 40 DHAB O=C(O)[C@H]1O[C@@]1(c1cccc(Cl)c1)c1ccccc1Cl 1700872 ZLEYYNBRZZXPFX-HIFRSBDPSA-N 309.148 3.720 0 40 DHAB Cc1ccc(C(=O)CCCCCC(=O)O)cc1Br 2518012 WNACFNCYKMKAKX-UHFFFAOYSA-N 313.191 3.975 0 40 DHAB CCOc1ccc(NC(=O)COc2ccccc2OCC)cc1 3458324 FLWVFCNVIBZCKY-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1C 3533184 ARXBQROPBAMKDB-UHFFFAOYSA-N 317.439 3.622 0 40 DHAB O=C(C1CCCCC1)N1CCN=C1SCc1ccccc1 4119791 ROEIYNXJHVEPEZ-UHFFFAOYSA-N 302.443 3.698 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1 4265009 OIMXHWHRAYMLHF-UHFFFAOYSA-N 322.368 3.681 0 40 DHAB COc1ccc(NCc2ccc(O)c3ncccc23)c(OC)c1 4451456 KUYFVHDLGCRNCD-UHFFFAOYSA-N 310.353 3.570 0 40 DHAB O=C(/C=C/c1ccco1)Nc1cc(-c2ccc(F)c(F)c2)no1 5482710 YAPNUOPLHFQJDP-GQCTYLIASA-N 316.263 3.865 0 40 DHAB COC(=O)[C@@H](C)Sc1nc(C)nc2sc3c(c12)CCCC3 6113760 FMBBBEYDKPMMID-MRVPVSSYSA-N 322.455 3.532 0 40 DHAB CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 6934303 GJWKEFORDURVQH-UWVGGRQHSA-N 315.439 3.794 0 40 DHAB CCc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 8076064 XZGVGCHJUUQHJX-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCc2ccccc21 8308522 DPKCVKGFTOVJIU-LLVKDONJSA-N 318.779 3.869 0 40 DHAB Cc1nc(C)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)s1 8391494 KDWGHGXLVDBQEJ-UHFFFAOYSA-N 304.459 3.706 0 40 DHAB O=C(NCCc1cccc(F)c1)c1cc2ccccc2cc1O 10101295 PTRORFVAOJWNSY-UHFFFAOYSA-N 309.340 3.657 0 40 DHAB Cc1ccc(C)c(OCCCn2c(C=O)nc3ccccc32)c1 11735044 SNCXPZZOKHHUQM-UHFFFAOYSA-N 308.381 3.935 0 40 DHAB CC[C@@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1ccc(F)cc1 12147318 JAEDTKMWOSDEKB-OAHLLOKOSA-N 311.360 3.892 0 40 DHAB CCc1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)o1 12443877 LQZVXRKMOVGZBS-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB CCc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 13000516 AUJPFKKOZRNLAA-FQEVSTJZSA-N 322.452 3.701 0 40 DHAB Cc1cnc(NC(=O)c2ccccc2C(=O)c2ccccc2)s1 13012061 KZSAJLOHZYIUNL-UHFFFAOYSA-N 322.389 3.935 0 40 DHAB COc1ccccc1Nc1nc(-c2ccc(O)cc2O)cs1 13135489 ILOJWHSZXMDHLJ-UHFFFAOYSA-N 314.366 3.974 0 40 DHAB Cc1ccc(NCc2nnc(S)n2Cc2ccccc2)cc1 13534436 YCKQEIQBSOMHPZ-UHFFFAOYSA-N 310.426 3.536 0 40 DHAB CCOc1ccc(CNC(=O)CCCOc2ccccc2)cc1 13675231 UBCCGKIWHOIMMM-UHFFFAOYSA-N 313.397 3.561 0 40 DHAB CC(C)Oc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 20049318 OUOXVBVQIQEZGD-UHFFFAOYSA-N 317.816 3.986 0 40 DHAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(F)cc1 20138200 LAQHBNLFKWIOQH-UHFFFAOYSA-N 311.312 3.830 0 40 DHAB CCN(CC)C(=O)c1sc(N(C)c2ccccc2)nc1C 22245378 JECNLCIGBIHMPI-UHFFFAOYSA-N 303.431 3.701 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 25727463 SMYKNLBAQOXLOX-CMPLNLGQSA-N 312.335 3.900 0 40 DHAB c1ccc(Cn2cccn2)c(CNc2nc3ccccc3o2)c1 26083067 AJXQTVUHARCYBD-UHFFFAOYSA-N 304.353 3.685 0 40 DHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)cc1 32817573 ANRPZAULYMPWHF-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB NN(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 34627176 OXKDWQFRUXJWPS-UHFFFAOYSA-N 311.610 3.983 0 40 DHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCCCCC1)C2 35075039 XSERORFSPSIMSS-RMJJICAUSA-N 323.521 3.845 0 40 DHAB Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O 36635494 BQQABZXIZOYFJL-MRXNPFEDSA-N 322.408 3.664 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccs2)on1 43290570 SZKSAOQFFATBIF-NEPJUHHUSA-N 305.403 3.652 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)CCc2ccc(Cl)s2)no1 44474383 GYOCEMGAMMWHAJ-ZDUSSCGKSA-N 324.833 3.994 0 40 DHAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1cc2ccccc2o1 52782533 SRZNCKGLFBXMFW-CYBMUJFWSA-N 315.394 3.613 0 40 DHAB COCc1c(C(=O)NCc2ccoc2)sc2cccc(F)c12 53020786 XXSBNOJCBSNEFU-UHFFFAOYSA-N 319.357 3.710 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)N1CCN(c2ccccc2)CC1 54065746 XTLCCHZMEFWUGD-KRWDZBQOSA-N 323.440 3.588 0 40 DHAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)C3CCC3)C2(C)C)no1 67889848 VKQSDQINZQKYNU-PBHICJAKSA-N 318.461 3.891 0 40 DHAB biogenic,in-vitro Cc1ccc(/C=C/C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1 69413820 JEAKQOQKPULJHX-FLVLSHQESA-N 314.473 3.635 0 40 DHAB COc1ccc(Cl)c2c1N(C(=O)c1cncc(C)c1)CCC2 74729687 ZOYQHIMNIHWESM-UHFFFAOYSA-N 316.788 3.645 0 40 DHAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1Cl 74949308 LNXJHOYDVFFVDJ-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB CC(C)C1(CNC(=O)c2ccc(Br)s2)CC1 75108584 JZIDFJUKOSLQHL-UHFFFAOYSA-N 302.237 3.677 0 40 DHAB CCn1c([C@@H]2CCCN2Cc2cccnc2)nc2ccccc21 84496573 LSADNOJPKDCRFQ-SFHVURJKSA-N 306.413 3.788 0 40 DHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@@H]1CCNC1 89744415 IUALHNZZYBGOIL-MNOVXSKESA-N 315.244 3.512 0 40 DHAB CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(C(=O)O)c1 95989940 VKDRQFGYNOAFFF-QGZVFWFLSA-N 309.365 3.534 0 40 DHAB Cc1cc(CNc2nnc([C@@H]3Cc4ccccc4O3)o2)c(C)o1 95992331 ZMNSHZGAELJNBS-HNNXBMFYSA-N 311.341 3.568 0 40 DHAB Cc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C)c1O 97229483 BAOUXVIEZUSRPT-UHFFFAOYSA-N 313.250 3.818 0 40 DHAB Cc1cccc(C(=O)NCCc2nc(C3CC3)cs2)c1Cl 97229708 ZISWBYDODQEFMS-UHFFFAOYSA-N 320.845 3.955 0 40 DHAB COc1ccc(-c2noc(-c3cn(C)c4ccccc34)n2)cc1 98212046 OWGXZHVWSYUKMT-UHFFFAOYSA-N 305.337 3.904 0 40 DHAB Brc1ccc(-c2nc([C@@H]3CCCCCN3)no2)cc1 135966901 ZQDHULZPVNNEFS-LBPRGKRZSA-N 322.206 3.704 0 40 DHAB CCC1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 218905961 KFQOULPAWUEHPA-UHFFFAOYSA-N 322.836 3.672 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 222437951 JYMVMKPGYLWTLT-YEJOONJESA-N 313.397 3.662 0 40 DHAB CCc1ccc(CCC(=O)NCCOCc2ccccc2)cc1 224595772 MPNHYMHWHACHBZ-UHFFFAOYSA-N 311.425 3.515 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@H](O)CNC1CCCCC1)C2 240067959 SFEWGPJTCPCSHS-RUENVJTFSA-N 309.494 3.501 0 40 DHAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)CC[C@H]1CCCO1 245287262 BSGJPJTYAPLNQM-DJIMGWMZSA-N 319.449 3.522 0 40 DHAB O=C(c1ccc(Cl)cc1)N1CC[C@@H](Cc2nccs2)C1 257328038 XDVPMRZTWALFLB-NSHDSACASA-N 306.818 3.501 0 40 DHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1C 408708519 JKYJIFMCLIPKCZ-UHFFFAOYSA-N 324.424 3.682 0 40 DHAB CC[C@H]1CN(Cc2ccc(-c3cccc(F)c3C)o2)C[C@@H]1O 535807591 UHXKNNFQGSNQFT-GUYCJALGSA-N 303.377 3.597 0 40 DHAB Cc1cc(CNC(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)no1 563025402 VBEXCMLJBUCWHB-MRXNPFEDSA-N 313.401 3.666 0 40 DHAB CC(C)(C)c1coc(NC(=O)C[C@@H]2OCCc3ccccc32)n1 574819369 CNVYHYWECAQUBE-AWEZNQCLSA-N 314.385 3.615 0 40 DHAB S=C1NC(c2ccccc2)=C[C@H](c2ccccc2Cl)N1 86539 XMVFLDOQVNPPKF-OAHLLOKOSA-N 300.814 3.900 0 40 DHAB COc1ccc(N2C(=O)c3cc4ccccc4cc3C2=O)cc1 196673 OCRXVUMOYCGRIZ-UHFFFAOYSA-N 303.317 3.649 0 40 DHAB CCN(CC)Cc1ccc(NC(=O)c2ccccc2F)cc1 568285 GCIYMMAXYUNVFZ-UHFFFAOYSA-N 300.377 3.920 0 40 DHAB COc1ccccc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 992640 ABVDNJIGSOBODA-UHFFFAOYSA-N 312.394 3.539 0 40 DHAB CCOc1ccccc1NC(=S)NC(=O)c1ccc(C)cc1 1004124 KTEJWPGSCXMGLB-UHFFFAOYSA-N 314.410 3.521 0 40 DHAB Cc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2CCCC3)cc1 2966179 MWCZEYZASIVZTH-NRFANRHFSA-N 321.444 3.564 0 40 DHAB CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 3536517 JHNVQMFVQLRTAE-UHFFFAOYSA-N 300.358 3.637 0 40 DHAB Cc1ccc(OCCSc2nc(C(C)C)cc(=O)[nH]2)cc1C 4943263 KRNMUKZSBYLCAF-UHFFFAOYSA-N 318.442 3.681 0 40 DHAB Cc1cccc(CSC2=NCCN2C(=O)c2ccccc2)c1 6450646 WORKYTHOFFZXHS-UHFFFAOYSA-N 310.422 3.740 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl 7402375 HAWAFKSHVPIKKT-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Nc1nnc(SCc2csc(-c3ccc(F)cc3)n2)s1 7536084 MZKKTFGVKJNUKU-UHFFFAOYSA-N 324.431 3.675 0 40 DHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccco1 9113782 DPIOGTQYRBECQW-UHFFFAOYSA-N 312.350 3.590 0 40 DHAB c1ccc2c(c1)c1ccccc1n2CCc1nn2cnnc2s1 9420605 DADNYSGPMGVRDK-UHFFFAOYSA-N 319.393 3.536 0 40 DHAB Cc1ccc(O)c(C(=O)Nc2ccc(N3CCCC3)cc2C)c1 11767823 BLNMOVDNGPUREO-UHFFFAOYSA-N 310.397 3.862 0 40 DHAB Cc1cc(OCC(=O)Nc2onc3c2CCCC3)ccc1Cl 11914319 QAQVKYGFDWGZMO-UHFFFAOYSA-N 320.776 3.533 0 40 DHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 13689011 KUCZRENLNMJSQO-MRXNPFEDSA-N 319.404 3.966 0 40 DHAB Sc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1 17053583 KEEYIEKGZRUITK-UHFFFAOYSA-N 315.829 3.859 0 40 DHAB Cc1[nH]c2ccccc2c1/C=C1\N=C(c2ccccc2)OC1=O 19790526 OUQDIQVOSCQVEU-BOPFTXTBSA-N 302.333 3.821 0 40 DHAB CCc1cccc2c1Sc1ccccc1C[C@H]2N1CCNCC1 19802448 VRWXAWXVRQECLB-GOSISDBHSA-N 324.493 3.903 0 40 DHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 20141875 QLFFWEAYECHGSM-GFCCVEGCSA-N 313.353 3.814 0 40 DHAB CCOc1ccccc1CNC(=O)c1ccc(OC(C)C)cc1 20456958 FEWHNBTUTARMBB-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cn1 27734817 CEUBIRDXKLZPFU-LLVKDONJSA-N 319.202 3.644 0 40 DHAB Cc1ccc(NC(=S)N2C(=O)CSc3ccccc32)cc1 28527733 DXOHKYSDXZCYKF-UHFFFAOYSA-N 314.435 3.831 0 40 DHAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 28580379 ZITAGHQJAUYLLB-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB O=C(NCC(F)(F)F)N1CC=C(c2c[nH]c3ccccc23)CC1 32795385 GULBUQJRQXAOTF-UHFFFAOYSA-N 323.318 3.529 0 40 DHAB COP(=O)(OC)[C@@H](/C=C(\Cl)c1ccccc1)N(C)C 33376624 BYTZWWDLTWSOGT-UKVQZPPCSA-N 303.726 3.640 0 40 DHAB CC(C)OCc1cccc(CNC(=O)CCc2ccsc2)c1 40122272 IXCYRRKEJWBTNT-UHFFFAOYSA-N 317.454 3.922 0 40 DHAB OCCCc1nc2ccc(Cl)cc2n1Cc1ccccc1 40417831 AHGOPTQMUJONFI-UHFFFAOYSA-N 300.789 3.663 0 40 DHAB CCCCc1noc([C@H]2CCCCN2C(=O)C2CCCC2)n1 46087218 LMUQOTVTRIVHDZ-CQSZACIVSA-N 305.422 3.656 0 40 DHAB CCN(C(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1C 46661455 RAYLYRCSFDJRHO-UHFFFAOYSA-N 323.371 3.987 0 40 DHAB COc1cccc(SCc2csc(-c3cnn(C)c3)n2)c1 53773760 WBWWOCCDSAUSIP-UHFFFAOYSA-N 317.439 3.845 0 40 DHAB O=C(Cc1cccs1)NCCOc1cccc2ccccc12 55775373 WALAQVJECZLSFX-UHFFFAOYSA-N 311.406 3.639 0 40 DHAB COc1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)c(F)c1 65828716 CAABKBPORUWKES-NSHDSACASA-N 303.333 3.793 0 40 DHAB O=C(c1ccccc1)[C@H]1CCC[C@H](C[C@@H](O)c2ccccc2)N1 71775438 CNWKJIFYKGLTLI-GUDVDZBRSA-N 309.409 3.504 0 40 DHAB COc1ccc(CCC(=O)Nc2cccc3[nH]ccc23)cc1OC 74895253 VIOYCVITTBRDIP-UHFFFAOYSA-N 324.380 3.756 0 40 DHAB Cc1ccc(NC2CCN(Cc3csc(C)n3)CC2)cc1 76725836 KBWTXOASFOHCEA-UHFFFAOYSA-N 301.459 3.836 0 40 DHAB Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@@H]3C)c2)nn1 77136033 YEUNANLQWZMXBL-AWEZNQCLSA-N 311.385 3.592 0 40 DHAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2ccc(O)cc2)C1 85806598 WKQHANUPWDNFQT-CYBMUJFWSA-N 323.327 3.841 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CNc3ccccc32)C1 91303105 UVKWHITVTJOVCV-ZFWWWQNUSA-N 302.418 3.843 0 40 DHAB in-vitro COc1ccccc1NC(=O)NC[C@@H](OC)c1ccccc1C 96105182 WDAVOUBSOOURIM-QGZVFWFLSA-N 314.385 3.513 0 40 DHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 96319521 PXDFAZCIQQJFGA-HDICACEKSA-N 319.360 3.935 0 40 DHAB CCCCNC(=O)C1CCN(Cc2coc3ccccc23)CC1 96489811 PLTPEBUBEOTMFQ-UHFFFAOYSA-N 314.429 3.561 0 40 DHAB CCCN(CCC)C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213682 WLHJRBJPHRKJAX-FAJBIJEISA-N 311.510 3.701 0 40 DHAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102008227 GKTQCCXEHYJBMP-ZQIUZPCESA-N 312.413 3.822 0 40 DHAB C[C@@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1cccnc1 127974516 DJHZIJJMSLELOZ-MFKMUULPSA-N 315.339 3.563 0 40 DHAB COc1ccc(O[C@@H](Cc2ccc(C(C)C)cc2)C(=O)O)cc1 225046180 UDHRMCSMAIUVEN-SFHVURJKSA-N 314.381 3.893 0 40 DHAB CCc1ccc(CC(=O)NCCCc2ccccc2OC)cc1 225792629 DPVAWEXLOMPLSE-UHFFFAOYSA-N 311.425 3.549 0 40 DHAB COc1ccc(NC(=O)c2cc3ccccc3cc2OC)c(N)c1 226347538 UCFQISFYFKDDJB-UHFFFAOYSA-N 322.364 3.692 0 40 DHAB c1ccc(-c2ncc(CN3CCCC[C@H]3c3ccn[nH]3)cn2)cc1 257220533 DLDHFSAJBRIZLH-SFHVURJKSA-N 319.412 3.594 0 40 DHAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)n1 257230990 GESRSBRIGNRDNY-QGZVFWFLSA-N 322.412 3.794 0 40 DHAB CC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CC(C)C 257280020 OJDNEIVVEVFRHO-PVYRDQNTSA-N 307.478 3.769 0 40 DHAB FC(F)(F)Oc1cc2[nH]c(Cl)nc2cc1Br 258840298 ZPYKPSJWRZSAEY-UHFFFAOYSA-N 315.476 3.877 0 40 DHAB COc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc1 408530911 SCJLMPUOYHSFQK-UHFFFAOYSA-N 320.348 3.680 0 40 DHAB O=C1N/C(=C/C=C/c2ccco2)C(=O)N1c1cccc(Cl)c1 409066712 PJDAZOSIWDJRBL-BOAPOFAJSA-N 314.728 3.587 0 40 DHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1F 409372293 YMTBLMOTDKHHSS-AWEZNQCLSA-N 318.373 3.594 0 40 DHAB CCCC(=CC(=O)N[C@@H](C)c1ncc(C(=O)OC)s1)CCC 521395794 BAMVDAKLAOPOAQ-NSHDSACASA-N 324.446 3.634 0 40 DHAB O=C(O)c1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1F 570295071 YABCYWUBTJWNHP-LBPRGKRZSA-N 316.328 3.606 0 40 DHAB C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)O 31899 UAJHBFHNGNEZJR-LRDDRELGSA-N 315.344 3.659 0 40 DHAB O=C(c1ccccc1Oc1ccccc1)n1nnc2ccccc21 263482 DLHXEQBOGZXING-UHFFFAOYSA-N 315.332 3.912 0 40 DHAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC 501529 UOVAXNZMBVGHBD-UHFFFAOYSA-N 301.367 3.796 0 40 DHAB Cc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1 2044287 RSLLZVWKCCWWFC-OAQYLSRUSA-N 315.372 3.849 0 40 DHAB CCOP(=O)(OCC)c1ccc(C(=O)c2ccccc2)cc1 2518184 YSOIPLCPPKSKSR-UHFFFAOYSA-N 318.309 3.809 0 40 DHAB O[C@@H](CN1CCC(c2nc3ccccc3o2)CC1)c1ccccc1 2616061 GVAKHDZICRSYMD-SFHVURJKSA-N 322.408 3.741 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(C(C)(C)C)s1 2734757 XUAFZGXERCZURM-LBPRGKRZSA-N 319.430 3.632 0 40 DHAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)O 3278185 OCZBKWWREAQOFJ-VOTSOKGWSA-N 311.168 3.644 0 40 DHAB COc1ccc(CCC(=O)Nc2ccccc2Cl)cc1OC 3483221 CVLULAMMHQUEHJ-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cccc2ccccc12 3592743 VNMJBRJKRXSYSR-UHFFFAOYSA-N 322.408 3.985 0 40 DHAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C 4283604 HBAONALTHRGNPK-IAQYHMDHSA-N 323.820 3.616 0 40 DHAB Cc1nn(S(=O)(=O)c2ccc3ccccc3c2)c(C)c1Cl 4666952 RZVYENDCWHMLTC-UHFFFAOYSA-N 320.801 3.544 0 40 DHAB CCN(CC)CC(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 4956641 IDFBJWJVJSJQER-UHFFFAOYSA-N 324.424 3.506 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 5559260 SMOSWPGXDCAXNW-NSHDSACASA-N 319.788 3.848 0 40 DHAB CCc1ccccc1NC(=O)Cn1cc(C=O)c2ccccc21 5985336 GPWYKFBRGJDAEE-UHFFFAOYSA-N 306.365 3.655 0 40 DHAB COc1ccccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 6325031 MPUNIVODTWXCPO-RUCSPORFSA-N 318.442 3.784 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c1 7309985 OQJUADZCRZHTDK-CQSZACIVSA-N 321.467 3.891 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Nc2noc3ccccc23)c(C)c1 7363545 HQGHRYYVQPJEMP-UHFFFAOYSA-N 316.382 3.554 0 40 DHAB O=C(NCc1cccc(Cl)c1)c1cc(-c2ccccc2)[nH]n1 7774622 SSZQTXJNCBUWCG-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB Cc1ccccc1CNC(=O)COc1cccc(C(F)(F)F)c1 7976136 IJKUOLDKDAUPCB-UHFFFAOYSA-N 323.314 3.709 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)n1 8130993 MSDMIHCYDUTKMW-MRXNPFEDSA-N 319.408 3.980 0 40 DHAB Cc1ccc(NC(=O)NCc2cnn(-c3ccccc3)c2)cc1 10464386 BZPBGUXIPIDXBB-UHFFFAOYSA-N 306.369 3.502 0 40 DHAB CCOc1ccc(/C=C/C(=O)N2CCc3sccc3C2)cc1 10923360 LZEBHYQWGKIRIH-VMPITWQZSA-N 313.422 3.745 0 40 DHAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(F)cc3)ccc2o1 12532711 KNPOWBQQEIENOX-SNVBAGLBSA-N 313.332 3.714 0 40 DHAB O=C(Nn1cnc2ccccc21)c1ccc(Cl)cc1Cl 12541208 FSDKMRCJGXWDCG-UHFFFAOYSA-N 306.152 3.727 0 40 DHAB CSc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 12541905 XLULOYUPQSPMSX-UHFFFAOYSA-N 313.831 3.863 0 40 DHAB Cc1ccc([C@H]2C[C@@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 13131356 SKZUFMZSQVXPKH-SJORKVTESA-N 319.412 3.623 0 40 DHAB aggregator CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(C(C)(C)C)cc1 14197530 CGHMRMLHESSVAF-UHFFFAOYSA-N 310.441 3.715 0 40 DHAB O=C(CCC1CCCC1)Nc1ccccc1N1CCCC1=O 16105428 RCMWLWDIOFSQTK-UHFFFAOYSA-N 300.402 3.722 0 40 DHAB COc1ccc(/C=C/C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 17030975 LYQVWHQZEBRRFL-XIJKFNDHSA-N 303.402 3.507 0 40 DHAB Cc1ccccc1Cc1nc2n(n1)N=C(c1ccccc1)CS2 19910207 YYPRWETUJVKMFQ-UHFFFAOYSA-N 320.421 3.535 0 40 DHAB CN(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1 20486766 DATGPFGVGNRJTC-UHFFFAOYSA-N 303.402 3.718 0 40 DHAB O=C(NCc1cc(-c2ccco2)on1)c1cccc(Cl)c1 22768502 SRDFPTDLEAHTTR-UHFFFAOYSA-N 302.717 3.518 0 40 DHAB CCc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)sc1C 27675619 QOBUCOGIKBKESC-ZDUSSCGKSA-N 322.499 3.713 0 40 DHAB O=C(CCc1ccccc1)Nc1cnn(Cc2ccccc2F)c1 28303602 DCSIVXUJGVWHSV-UHFFFAOYSA-N 323.371 3.642 0 40 DHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)CCO2 32818735 LRGUKSQFUSUTOM-UHFFFAOYSA-N 320.348 3.892 0 40 DHAB C[C@@H](C(=O)Nc1ccc2ccccc2n1)n1cnc2ccccc21 32914218 OPNQGXFLTLIAKV-ZDUSSCGKSA-N 316.364 3.784 0 40 DHAB Cc1cccc(-n2nnnc2C(C)(C)Nc2ccccc2C)c1 35622484 REVHSOLBINARQO-UHFFFAOYSA-N 307.401 3.626 0 40 DHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Cc1ccccc1Cl 40108328 HUDGYLGSJKDWFL-XJKSGUPXSA-N 309.837 3.594 0 40 DHAB Cc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 41813608 NWJOMLSJAHGFBC-KRWDZBQOSA-N 323.436 3.921 0 40 DHAB CC(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1 42646484 SWFHAWSXCFHOJW-AWEZNQCLSA-N 310.397 3.626 0 40 DHAB CCCc1cc(Br)ccc1OCC1CCNCC1 42774483 WTDBSAMSKMGMQW-UHFFFAOYSA-N 312.251 3.780 0 40 DHAB Cc1ccc(NC(=O)c2cc(C3CC3)nn2C(C)(C)C)c(O)c1 44982716 WAVJSKWWQAEBFA-UHFFFAOYSA-N 313.401 3.782 0 40 DHAB Fc1ccc(C2(NCc3cccc(F)c3F)CCOCC2)cc1 69566233 MJQNEXQWVKMTPE-UHFFFAOYSA-N 321.342 3.899 0 40 DHAB CC(C)(C)CN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1c1cccnc1 71894150 JNICYNLABXSHNO-STQMWFEESA-N 314.351 3.622 0 40 DHAB COc1cc(C(=O)NCc2ccccc2)nc2c(C)cc(F)cc12 72329495 ORAOPCMKFLGGRA-UHFFFAOYSA-N 324.355 3.621 0 40 DHAB CC[C@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccc(Cl)cc1 75093392 UYPXODCAMSFJIG-GJZGRUSLSA-N 307.821 3.724 0 40 DHAB Cc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)cn1 75127268 HIXMTXGPSDODCD-CQSZACIVSA-N 308.303 3.766 0 40 DHAB CC[C@H](C)c1nnc(C2(c3ccc(OC)cc3)CCOCC2)o1 75134656 NHCCFEAQRNZKLH-ZDUSSCGKSA-N 316.401 3.688 0 40 DHAB CCSCC[C@H](C)N(C)C(=O)c1ccc(Br)o1 75382027 ZBEJUEBDHGFKTF-VIFPVBQESA-N 320.252 3.646 0 40 DHAB C[C@H]1CC(CCS(=O)(=O)Cc2cscn2)C[C@H](C)C1 84686182 ZFDOPULXCLJELU-VXGBXAGGSA-N 301.477 3.520 0 40 DHAB COc1ccc([C@H](O)CN[C@@H]2CC(C)(C)Cc3occc32)cc1 95967218 KYCWPILOBLKWQK-IAGOWNOFSA-N 315.413 3.625 0 40 DHAB O=C(C1CC1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96001355 OSRGLPBPYKQRMW-HNNXBMFYSA-N 311.385 3.590 0 40 DHAB CC[C@H]1CO[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96073334 MAEKYJWTIMGVQV-FOIQADDNSA-N 324.424 3.656 0 40 DHAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCC2CC2)CO3)s1 96106610 KIWSMMAOOAWICO-INIZCTEOSA-N 321.486 3.607 0 40 DHAB CCOc1c(F)cccc1C(=O)N(C)Cc1cnc(CC)s1 96430974 IAXYEWHBMPMFQB-UHFFFAOYSA-N 322.405 3.516 0 40 DHAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1 170531110 QNSZLXDXQMBLIN-UHFFFAOYSA-N 309.365 3.991 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(COC)c1 224420193 DUTQICHDWJKRPC-CQSZACIVSA-N 313.397 3.801 0 40 DHAB Cc1ccc(CNC(=O)COc2ccc3c(c2)CCCC3)cc1 225086913 CDRZEKUSEOHIMS-UHFFFAOYSA-N 309.409 3.569 0 40 DHAB CCOC(=O)c1ccc(NC(=S)NC(C)(C)CC)c(C)c1 225645004 RJRITSDDFLDCEM-UHFFFAOYSA-N 308.447 3.647 0 40 DHAB COc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2cccnc12 225883596 JIYDQSJTCZQTLS-GOSISDBHSA-N 316.401 3.633 0 40 DHAB COc1cc(N)cc(Cl)c1NC(=O)c1ccccc1Cl 227146670 MCEFKCJMXIPKEG-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB C1=CO[C@@H](CNc2ccccc2OCc2cscn2)CC1 252489376 JPOMAADNWLBAPJ-CQSZACIVSA-N 302.399 3.827 0 40 DHAB O=C(C1CCCCC1)N1Cc2nccn2C[C@H]1c1ccccc1 257256335 KKZSFKZPITWDEU-KRWDZBQOSA-N 309.413 3.547 0 40 DHAB Cc1ccsc1CCC(=O)NCc1cncc(C2CC2)c1 575606739 QSRCFHBUVHJDFD-UHFFFAOYSA-N 300.427 3.578 0 40 DHAB COCC[C@H]1CN(Cc2sccc2C)Cc2cccn2C1 585095465 SEPKWYMQIPMNMZ-HNNXBMFYSA-N 304.459 3.527 0 40 DHAB O=c1c2ccccc2nc(S)n1-c1ccc(Cl)cc1Cl 98052 SSOMEQVZSPBNRH-UHFFFAOYSA-N 323.204 3.981 0 40 DHAB Cc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1 530045 BCFNYFBNNUKZQO-UHFFFAOYSA-N 306.394 3.612 0 40 DHAB CCC(CC)c1nnc(NC(=O)Cc2ccccc2OC)s1 804672 ALDHMYWJXNZAOS-UHFFFAOYSA-N 319.430 3.632 0 40 DHAB CN(C)C[C@H](CCC(=O)c1ccccc1)C(=O)c1ccccc1 1734032 JGWXFZSRRMKVOL-SFHVURJKSA-N 309.409 3.710 0 40 DHAB Cc1cccc(CN2CCC(N3C[C@@H](C)C[C@@H](C)C3)CC2)c1 2734818 IKWJPDFXHXSQPP-HDICACEKSA-N 300.490 3.937 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1ccccc1OC(F)F 3331083 LNMVDOCDSOWASR-UHFFFAOYSA-N 305.280 3.743 0 40 DHAB ClC1(Cl)C[C@H]1CNc1ncnc2sc3c(c12)CCC3 3399105 COPZYULRFWWCPX-ZETCQYMHSA-N 314.241 3.786 0 40 DHAB Cc1ccc(NC(=O)CNc2ccc(F)cc2F)cc1Cl 3406171 QWOVWTOKECBLCD-UHFFFAOYSA-N 310.731 3.977 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)C1CCCCC1 3433047 OCJZNINREPTWQG-UHFFFAOYSA-N 324.852 3.860 0 40 DHAB CCCN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 4682261 LRSSHNHUTLGFEQ-NTEUORMPSA-N 300.383 3.625 0 40 DHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc2ccccc2n1 6639745 MXWOXAZJIVWKEM-UHFFFAOYSA-N 309.394 3.822 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1SC 6847726 JLZGGPQLLWZRBQ-LBPRGKRZSA-N 301.411 3.908 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2[nH]1 6988267 MASAJGQOZOBAKL-UHFFFAOYSA-N 319.364 3.547 0 40 DHAB O=C(OCc1cc(-c2ccco2)on1)c1ccc2ccccc2n1 7196650 ITNJVRFWSHEGQV-UHFFFAOYSA-N 320.304 3.840 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)NCCOc1ccc(Cl)cc1 7270027 BDOKDPIWBSERAI-XCVCLJGOSA-N 319.763 3.688 0 40 DHAB CCC(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7779644 RAXMYXGDTRKHBM-RMKNXTFCSA-N 323.392 3.914 0 40 DHAB Cc1cc(CSc2nnc(-c3cccs3)n2C2CC2)on1 8133663 AXMZCHWEGAMTBO-UHFFFAOYSA-N 318.427 3.930 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1OC 8392199 HUEAXZKYAXQAEY-UHFFFAOYSA-N 321.323 3.553 0 40 DHAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)C1CC1 9107449 UFBXEHPKFNOITD-UHFFFAOYSA-N 320.392 3.515 0 40 DHAB Cc1cc(NC(=O)c2cc3cc(Br)ccc3o2)no1 9305828 VUEYTKJENVIYFX-UHFFFAOYSA-N 321.130 3.744 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CC1(Cl)Cl 9721255 YUZLQZIIIPKNSW-LURJTMIESA-N 305.161 3.568 0 40 DHAB O=C(NCc1ccco1)c1csc2nc(-c3ccccc3)cn12 11902388 HMLWHJBJALLLEC-UHFFFAOYSA-N 323.377 3.586 0 40 DHAB CC[C@@H](C(=O)OCc1nc(-c2ccccc2)no1)c1ccccc1 12997213 KSSPZJJHWYZYHP-MRXNPFEDSA-N 322.364 3.974 0 40 DHAB COc1ccc(-c2ccc3c(c2)Cc2sc(N)nc2-3)cc1OC 13671326 VVHPWWQMZPMVNX-UHFFFAOYSA-N 324.405 3.981 0 40 DHAB Clc1ccccc1CN1CCc2nc3ccncc3cc2C1 19349340 LXECJRYCCTUFJU-UHFFFAOYSA-N 309.800 3.842 0 40 DHAB C[C@@H](NC(=O)CCc1ccncc1)c1nc2ccccc2s1 19459847 RFQVLOITXLWOEG-GFCCVEGCSA-N 311.410 3.501 0 40 DHAB C[C@H]1C[C@H](C)CN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1 19462612 DYFNFGPTQJSGTM-ZQIUZPCESA-N 313.445 3.892 0 40 DHAB COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)NCC2 20494237 ZYOYWVGCPUFRIB-QGZVFWFLSA-N 321.779 3.731 0 40 DHAB CCc1cccc2c(-c3csc(N4CCOCC4)n3)c[nH]c12 21275240 AEMXOHFZQURZEX-UHFFFAOYSA-N 313.426 3.690 0 40 DHAB COc1ccc(OCC(=O)Nc2cccc3ccc(C)nc23)cc1 21525228 LJNINLXRWCBSLZ-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB Cc1cc(=S)cc(-c2ccccc2)n1CCN1CCOCC1 23704199 RIYJOOVXSIDENU-UHFFFAOYSA-N 314.454 3.525 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(F)c(F)c1 24093775 AWJDJVNWWVQLKW-SFHVURJKSA-N 324.330 3.879 0 40 DHAB Cc1ccc(NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 28579686 UNLKZDMLDYVCBO-UHFFFAOYSA-N 306.369 3.884 0 40 DHAB CC1CCC(NC(=O)c2ccc(OCc3cccnc3)cc2)CC1 32064144 STGBXQCJTXLNAP-UHFFFAOYSA-N 324.424 3.969 0 40 DHAB COc1ccc(CNC(=O)c2sc(C(C)C)nc2C)cc1 32924058 JJQILVNBKMIUDY-UHFFFAOYSA-N 304.415 3.514 0 40 DHAB Cc1noc(C)c1CN(Cc1cccs1)C[C@H]1CCCO1 40465935 ZRIFJLPUBMACCY-CQSZACIVSA-N 306.431 3.534 0 40 DHAB O=C(NCc1cc(Br)ccc1F)C1CCCCC1 41064849 SBATUFQLNGMOIJ-UHFFFAOYSA-N 314.198 3.785 0 40 DHAB Cc1ccc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cn1 41896428 DGRHFXGOAAUQCN-SJKOYZFVSA-N 310.397 3.911 0 40 DHAB Cc1noc(C)c1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 42700207 FMSJNUSKJMWTTE-SFHVURJKSA-N 321.380 3.548 0 40 DHAB CC(C)Oc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210418 DRFICMRINCDJCM-UHFFFAOYSA-N 318.394 3.812 0 40 DHAB O=C(CSCc1nc2ccccc2s1)N1CCCCC1 50078192 VIINHXVAUUZPQA-UHFFFAOYSA-N 306.456 3.542 0 40 DHAB Cn1ncc2c(Nc3ccc(F)c(Cl)c3)nc(Cl)nc21 57776537 SVKKRQTZYYJAHM-UHFFFAOYSA-N 312.135 3.553 0 40 DHAB O=C(NC1CCC(O)CC1)c1ccc(-c2ccc(F)cc2)s1 60658671 SZXPTNZILPMEEU-UHFFFAOYSA-N 319.401 3.588 0 40 DHAB CC[C@@H](NC(=O)CCCc1ccccn1)c1ccc(OC)cc1 65547676 WONNPFUOMOGFOO-GOSISDBHSA-N 312.413 3.680 0 40 DHAB Cc1cccc(N2CCN(CC(=O)c3ccc(C)cc3C)CC2)c1 67206397 ZEENYZMRMZPRJJ-UHFFFAOYSA-N 322.452 3.617 0 40 DHAB CCOc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72211808 QVLZNGAVOWEPNQ-CQSZACIVSA-N 306.406 3.942 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1cccnc1OCc1ccccc1 72212113 QQRZSIOVZJXQBB-GOSISDBHSA-N 310.397 3.734 0 40 DHAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1NC1CC1 72213726 MBJICXWYZGCLNK-KRWDZBQOSA-N 307.397 3.633 0 40 DHAB COc1ccc2cc(NC(=O)c3sc(C)nc3C)cnc2c1 72403337 XZCYVPPCBVZLDR-UHFFFAOYSA-N 313.382 3.569 0 40 DHAB Cc1nc(CNC2(c3ccc(Cl)cc3)CCOCC2)oc1C 78665118 UMTWSUTXEKWICV-UHFFFAOYSA-N 320.820 3.740 0 40 DHAB CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cnn(C(C)C)c2)C1 89274961 VYEHNSDSYDAXRM-KGLIPLIRSA-N 310.467 3.602 0 40 DHAB Cc1cc(C)c(NC(=O)NC2(CCO)CCCCC2)c(C)c1 89568800 IPXMMEOVIJENBD-UHFFFAOYSA-N 304.434 3.819 0 40 DHAB Cc1ccc(Br)c(NCc2nnc(C(C)C)o2)c1 90083306 QXPXSXNNUFVHOX-UHFFFAOYSA-N 310.195 3.876 0 40 DHAB Cc1cc([C@@H](NC(=O)N[C@H](C)CCCO)C(C)C)c(C)s1 95410348 STNBMPIRPXNPLI-ABAIWWIYSA-N 312.479 3.522 0 40 DHAB COc1cc(C(=O)c2cc(C)ccc2C)cc(OC)c1OC 95916830 PYUHIDBCXRHSJN-UHFFFAOYSA-N 300.354 3.560 0 40 DHAB O=[S@@](Cc1ccc(Br)cc1Cl)CC1CC1 95967081 DHSGDJWAOXHTKG-HNNXBMFYSA-N 307.640 3.761 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCn2ccnc2)o1 96433202 UQSKYLBHNJUIFC-HOCLYGCPSA-N 315.417 3.565 0 40 DHAB Cc1nc(C)c(CN[C@@H](C)C[C@@H](O)c2ccc(F)cc2)s1 96486375 ZATPWJOVCLIQBD-ZUZCIYMTSA-N 308.422 3.501 0 40 DHAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100100486 RCEYFYWIRNYBBS-MMNPAVHPSA-N 309.409 3.912 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)c1c2n(O)c(-c2ccc(Cl)cc2)[n+]1[O-] 100956296 YTLRTAWYZSWHRN-SJKOYZFVSA-N 318.804 3.854 0 40 DHAB Cc1oc(-c2ccco2)nc1CN[C@H]1CC(C)(C)OC1(C)C 119897360 YUKFFBMWHGDCHT-AWEZNQCLSA-N 304.390 3.679 0 40 DHAB CCCNC(=O)c1cc(N)ccc1Nc1ccccc1OCC 225479248 CROFDEKYVHYANL-UHFFFAOYSA-N 313.401 3.551 0 40 DHAB O=C(NCCCc1ccccc1)c1ccc2nc(Cl)oc2c1 225977177 JVBROYLVCKPOQN-UHFFFAOYSA-N 314.772 3.844 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2c(N)cccc2Cl)c1 226359121 NYVDGVSDKXPRDS-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CC(C)N1CCCC[C@@H]1c1csc(Nc2ncccn2)n1 257261052 LFNMHYAMCXXWNQ-CYBMUJFWSA-N 303.435 3.612 0 40 DHAB CCC1(CC)CN(Cc2nnc(C3CC3)n2C2CC2)CCS1 390833013 APBBRCFPJNXKSU-UHFFFAOYSA-N 320.506 3.598 0 40 DHAB Cc1nnc(SCC(=O)Nc2ccc(C(F)F)cc2)s1 408543790 QLELYEAHLJRWJP-UHFFFAOYSA-N 315.370 3.515 0 40 DHAB C[C@H]1CN(C)c2ccccc2CN1C(=O)CC(C)(C)C1CC1 585085778 ZVTVQFXQYNFRGP-AWEZNQCLSA-N 300.446 3.680 0 40 DHAB S=C(NCc1ccccc1)N1CCCC[C@H]1c1cccnc1 240147 OFSHQNOGDDEWPU-KRWDZBQOSA-N 311.454 3.683 0 40 DHAB biogenic Fc1ccccc1CSc1nnnn1-c1ccc(Cl)cc1 359436 HVRJGWPHEDWDNY-UHFFFAOYSA-N 320.780 3.747 0 40 DHAB COc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1 490166 UOOFCGWMRWYGBY-UHFFFAOYSA-N 312.321 3.911 0 40 DHAB biogenic COc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1OC 817662 KTVUXLSOCLVKKY-LJQANCHMSA-N 321.380 3.848 0 40 DHAB Cc1cc(C)c(S(=O)(=O)c2cc(F)ccc2C)c(Cl)n1 1388779 YSEMMZFTEPAEGT-UHFFFAOYSA-N 313.781 3.632 0 40 DHAB O=C(/C=C/c1ccccc1)NC(=S)NCCC1=CCCCC1 2551734 LRKCZILLZBMNAW-VAWYXSNFSA-N 314.454 3.581 0 40 DHAB CCC(C(=O)NCc1ccccc1)(C(F)(F)F)C(F)(F)F 3124616 HYGLRGNZYHJTGG-UHFFFAOYSA-N 313.241 3.824 0 40 DHAB biogenic O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1Cl 3159087 MHWOHKADXWOIFN-UHFFFAOYSA-N 303.166 3.761 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 3226745 UMHSFKAUWWWUGL-LBPRGKRZSA-N 301.342 3.589 0 40 DHAB COCCCNc1nnc(-c2ccc(F)cc2)c2ccccc12 3444827 DMXBHMQYLYIRLY-UHFFFAOYSA-N 311.360 3.884 0 40 DHAB CC1(C)CC(=O)c2c(C(=O)c3ccc(Cl)cc3)noc2C1 3849204 HMIXSOPSBFAPCB-UHFFFAOYSA-N 303.745 3.714 0 40 DHAB biogenic O=C1N(c2ccccc2)N=C(Nc2ccccc2)C1(Cl)Cl 4065230 XBYITEFFCRJRMN-UHFFFAOYSA-N 320.179 3.633 0 40 DHAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccs2)N3)C1 4543280 LKIYLPRCLFRHAG-OQPBUACISA-N 304.440 3.789 0 40 DHAB COc1ccc(OC)c(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)c1 4708384 VOYWRYHJPHVRAA-UHFFFAOYSA-N 315.369 3.517 0 40 DHAB CCSc1ccccc1NC(=O)[C@H]1COc2ccccc2O1 5032466 ANQWPLHIYZYDCO-OAHLLOKOSA-N 315.394 3.577 0 40 DHAB O=C(NCc1ccncc1)c1ccccc1Oc1ccccc1 5800135 JBDYHAVOCXEGNY-UHFFFAOYSA-N 304.349 3.804 0 40 DHAB Cc1ccc(-c2n[nH]c(SCc3cn4ccccc4n3)n2)cc1 5866664 KXSFSAFHWFTXSP-UHFFFAOYSA-N 321.409 3.720 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2F)N1C1CC1 7886276 RPJKRSOXEMTFIY-INIZCTEOSA-N 300.308 3.694 0 40 DHAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 8556182 HTGCHVOWEUCWOB-UHFFFAOYSA-N 310.397 3.601 0 40 DHAB Cc1ccc(C(=O)OCc2cc3cc(C)ccc3[nH]c2=O)cc1 9210478 HOIPTPVPBNNCEX-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB COC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 12979781 QJSKJTZXTXWORC-GOSISDBHSA-N 323.392 3.623 0 40 DHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccccc1F 13009635 YVGWGJAPFDQCLS-AWEZNQCLSA-N 305.349 3.932 0 40 DHAB O=C(c1cc2c(s1)CCCC2)N(Cc1cccnc1)C1CC1 14066397 OYERXFXPEDZCPO-UHFFFAOYSA-N 312.438 3.827 0 40 DHAB Cc1nc(-c2cccs2)c(CC(=O)NC2CCCC2)s1 15840051 SYMDYOKDIVVISC-UHFFFAOYSA-N 306.456 3.781 0 40 DHAB Cc1cc(NC(=O)c2cccc(N)c2)ccc1Br 19401139 ZCDQMWIRZSLCSF-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CCOc1ccc2nc3c(cc2c1)CN(C1CCCC1)C(=O)O3 19519967 BOISKLDPVSPEOK-UHFFFAOYSA-N 312.369 3.891 0 40 DHAB Cc1cc(N)ccc1NC(=O)c1ccccc1Br 20343256 BQSAVHFFDMVOGG-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB O=C(C[C@H]1C=CCC1)N1CCC[C@H](c2nc3ccccc3o2)C1 24693539 VVNYVSATMBJDKE-GJZGRUSLSA-N 310.397 3.890 0 40 DHAB CC(C)(C(=O)Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1 24890374 CAVYSVHIUCOAOS-UHFFFAOYSA-N 305.381 3.993 0 40 DHAB CC[C@@H](NC(=O)COc1ccc(C)cc1)c1ccc(OC)cc1 25513325 BGHLBVYCSXEZDE-GOSISDBHSA-N 313.397 3.650 0 40 DHAB O=C(c1csc(-c2ccco2)n1)N1CCc2ccccc2C1 29504203 XXUMSQJKWYDNKD-UHFFFAOYSA-N 310.378 3.602 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2ccccc2Cl)cc1 31241592 PPGABUAUAJKCDP-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB Nc1nnc(SCc2cccc(C(F)(F)F)c2)n1C1CC1 31853712 IQJJVVHLYXGVNJ-UHFFFAOYSA-N 314.336 3.506 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1F 32696856 DWHQIWGZVWZORD-OLZOCXBDSA-N 319.351 3.747 0 40 DHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CC=CCC1 32776644 XGPQOWHPUHBKNG-RHSMWYFYSA-N 301.386 3.539 0 40 DHAB O=C(NCC1(c2cccs2)CC1)Nc1c(F)cccc1F 38489679 JLJXXFHKRHVRSA-UHFFFAOYSA-N 308.353 3.880 0 40 DHAB Cc1nnc(COC(=O)c2ccccc2Oc2ccccc2)o1 39585493 YQHJYEKJFZRMQT-UHFFFAOYSA-N 310.309 3.527 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)OCCCO2 39973547 IBNBSCZFABWVJU-UHFFFAOYSA-N 323.392 3.749 0 40 DHAB C[C@@H](OCCCNC(=O)Cc1ccc(F)cc1)c1ccccc1 40050735 VKDNLKSRZSGHGV-OAHLLOKOSA-N 315.388 3.652 0 40 DHAB COc1ccc([C@H](O)c2ccc(Br)cc2)cc1F 40262868 KAWTWMIVSWFCAX-CQSZACIVSA-N 311.150 3.679 0 40 DHAB CCc1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 41122748 RCMNOFYASQAPAQ-CQSZACIVSA-N 305.422 3.656 0 40 DHAB CC(C)Oc1cccc(CNC(=S)Nc2ccccc2)c1 44239607 UVQGWAIVYOAOCV-UHFFFAOYSA-N 300.427 3.960 0 40 DHAB O=C(NCc1cccc(O)c1)Nc1ccccc1C(F)(F)F 56531967 YOKSBCLIYKBALU-UHFFFAOYSA-N 310.275 3.733 0 40 DHAB COC(=O)c1cc(-c2ccccc2)cc(Br)c1OC 57339901 POYTURCICUVSDJ-UHFFFAOYSA-N 321.170 3.911 0 40 DHAB Cc1c(Cl)cccc1NC(=O)NC[C@H]1CCN(C(C)C)C1 58323777 PDKGVZNCHSRYOQ-CYBMUJFWSA-N 309.841 3.500 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1 65720077 PEYKMMYTAIMIFC-OAHLLOKOSA-N 313.397 3.591 0 40 DHAB Cc1ccccc1-c1noc(C[S@@](=O)CC2CCCCC2)n1 69973084 MFNOFHPQNFAWLQ-JOCHJYFZSA-N 318.442 3.874 0 40 DHAB Cc1nc(Cl)cc(N2CCC(Sc3ccccn3)CC2)n1 71922392 BNGSECCXSCOOEN-UHFFFAOYSA-N 320.849 3.595 0 40 DHAB COC(=O)C[C@@H](C)S[C@H](C)c1nc(-c2cccs2)no1 79358962 HEAKVWDNEVQMPN-RKDXNWHRSA-N 312.416 3.544 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 80344741 YACJHPDKODYZNK-HZPDHXFCSA-N 309.365 3.508 0 40 DHAB Cc1noc(C)c1CN[C@@H](C)c1ccc(Br)cc1 84023566 FMYASFLGCREJNK-VIFPVBQESA-N 309.207 3.905 0 40 DHAB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc[nH]c2=O)cc1 84284345 HLVWJGSVKIPAOI-KRWDZBQOSA-N 324.424 3.650 0 40 DHAB CCc1ccc(CC(=O)Nc2c(C)cnn2-c2ccccc2)cc1 84563494 PLYYBQJOVDDLOZ-UHFFFAOYSA-N 319.408 3.924 0 40 DHAB CCS(=O)(=O)c1ccc(NCc2csc(C(C)C)n2)cc1 84811654 CKQNSJOFNMNHMS-UHFFFAOYSA-N 324.471 3.672 0 40 DHAB CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cnn(C(C)C)c2)C1 89274959 VYEHNSDSYDAXRM-ZIAGYGMSSA-N 310.467 3.602 0 40 DHAB COc1ccc(Cl)cc1C(=O)c1ccc(F)c(F)c1F 95916315 GAZCPMJWORMZQV-UHFFFAOYSA-N 300.663 3.997 0 40 DHAB C[C@@H](C(=O)Nc1ccc(OC2CCCC2)c(F)c1)n1ccnc1 96426872 BIHVUDANBHBMCF-LBPRGKRZSA-N 317.364 3.543 0 40 DHAB C[C@H](Cc1ccsc1)NC(=O)N[C@H](c1nccs1)C1CC1 96439357 TUIMFSCRMFFITI-MFKMUULPSA-N 321.471 3.586 0 40 DHAB COc1ccc(C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC 100626552 UEOBWABPEVGSNM-IFXJQAMLSA-N 317.429 3.745 0 40 DHAB O=C(c1ccc2[nH]ccc2c1)N1CCCN(c2ccccc2)CC1 107564288 KNQVTEMLVFRRJB-UHFFFAOYSA-N 319.408 3.520 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)C)cc1N1C[C@@H](C)C[C@@H](C)C1 216865374 MJLXAJHXTJAJPX-BETUJISGSA-N 303.450 3.654 0 40 DHAB C[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 224175786 QTNNQTFBQHBHAD-CYBMUJFWSA-N 323.845 3.563 0 40 DHAB CCOc1ccc(NC(=O)c2cn(-c3ccccc3)cn2)cc1 227115994 HJECRPYZEZVLQP-UHFFFAOYSA-N 307.353 3.523 0 40 DHAB O=C(O)c1sc2c(Br)ccc(O)c2c1Cl 228936858 ZLSUPPKFLPBLAF-UHFFFAOYSA-N 307.552 3.721 0 40 DHAB CCn1nc(C(C)C)cc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248197445 RFOUKTSPOZSMEZ-CBBWQLFWSA-N 303.450 3.581 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)n1 257251337 JQIUARBLKQEYAD-CQSZACIVSA-N 323.396 3.793 0 40 DHAB CC(C)N1CCC[C@H](c2cnc(-c3cnn(C(C)C)c3)cn2)C1 257301462 RYNMPNBGXGANIC-HNNXBMFYSA-N 313.449 3.509 0 40 DHAB Cc1coc(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)c1C 585081932 DDQZTXYYBCMUCA-UHFFFAOYSA-N 306.793 3.864 0 40 DHAB CCc1nccn1CC1CN(c2nc3ccc(C)cc3s2)C1 2087146393 OFKQBMSPEBEAJX-UHFFFAOYSA-N 312.442 3.500 0 40 DHAB Cc1cc(C)c(NC(=O)[C@H]2COc3ccccc3O2)c(Cl)c1 145403 BFJBOFZAPIEZCG-OAHLLOKOSA-N 317.772 3.735 0 40 DHAB CN(C)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 490628 NQGOQULFRNEDMB-UHFFFAOYSA-N 309.321 3.520 0 40 DHAB biogenic Cc1cccc(-c2nnc(SCc3ccccc3C)n2N)c1 527537 XAHJMDAQBDTPPN-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB CC(=O)Sc1ccccc1C(=O)NCc1ccc(Cl)cc1 1573811 JMBMJLPJZJJFFY-UHFFFAOYSA-N 319.813 3.909 0 40 DHAB CCCCOc1c(Cl)cc(/C=C2\N=C(C)OC2=O)cc1OC 2160016 QOFKAFBBKCTMAR-JYRVWZFOSA-N 323.776 3.844 0 40 DHAB COc1cccc(COc2ncnc3sc4c(c23)CCC4)c1 2663835 ILJDQPDHFWNFEA-UHFFFAOYSA-N 312.394 3.768 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 3422360 MRPMHFMAGPIECC-UHFFFAOYSA-N 314.360 3.560 0 40 DHAB O=C(COc1cccc(Cl)c1Cl)NC1CCCCC1 3445021 CXZHWMPPKDWERT-UHFFFAOYSA-N 302.201 3.821 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1OC 3549211 CVSZKOLPJGOLAL-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB COc1ccc(NC(=O)COc2cccc(F)c2)cc1Cl 3606941 WSQLIGIEYWWUMK-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB Cc1sc(N2CCCCC2)[s+]c1SCCC(=O)O 4577813 ZYMBVUHXIFHZSV-UHFFFAOYSA-O 304.482 3.956 0 40 DHAB CC(C)(C)c1ccc(Cn2c(NCCO)nc3ccccc32)cc1 5185610 BDVFWJUCAYGYRZ-UHFFFAOYSA-N 323.440 3.786 0 40 DHAB Fc1ccc(COc2ccccc2-c2ccnc3ncnn23)cc1 6222521 YSHMQNGWXCFEAO-UHFFFAOYSA-N 320.327 3.509 0 40 DHAB O=C(COC(=O)c1cc2c(s1)CCC2)c1cccc(Cl)c1 6999846 JIWVIPHKLIDNNP-UHFFFAOYSA-N 320.797 3.930 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2C)c1 8302877 GFPSVIGMNKCDEJ-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCC1CCCCC1 8314285 HMBNAHYLNPQJBL-UHFFFAOYSA-N 320.408 3.583 0 40 DHAB CNC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 8328616 UYRPELOGMSUSOX-UHFFFAOYSA-N 310.397 3.596 0 40 DHAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(F)cc1 12560137 AORJKZBMFUCPOD-MRXNPFEDSA-N 309.344 3.679 0 40 DHAB CC(C)(C)OC(=O)n1cccc1-c1ccc(CC(=O)O)cc1 12651056 SIUXCADYKNSBAS-UHFFFAOYSA-N 301.342 3.565 0 40 DHAB COc1cccc(C(=O)NCCCO[C@H](C)c2ccccc2)c1 12971566 QPOCTOZMGSMSPD-OAHLLOKOSA-N 313.397 3.593 0 40 DHAB CCOc1cc2c(cc1NC(=O)CC1CCCC1)O[C@H](C)C2 13014005 CYOQTLAMRDIKFV-GFCCVEGCSA-N 303.402 3.928 0 40 DHAB Cc1nn(CC(=O)Oc2ccc3ccccc3c2)c(C)c1Cl 13568782 PUHFBTQSUKVBKD-UHFFFAOYSA-N 314.772 3.912 0 40 DHAB CSCC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 14117016 VIJFNPNDGIZLGX-UHFFFAOYSA-N 307.444 3.630 0 40 DHAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1Cl 15085899 RAUZPGPEPJWNTA-UHFFFAOYSA-N 302.761 3.593 0 40 DHAB COc1ccccc1CNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 16227311 SGIJDGOUBUOBKR-FSEJROPFSA-N 311.381 3.741 0 40 DHAB COc1cc(OC)cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 18233951 PCAKWNKGVJVSQJ-LBPRGKRZSA-N 317.360 3.676 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1N 19272048 NNDZWOWNBUYUGQ-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB CSc1ccc([C@H](CN)N2CCc3sccc3C2)cc1 20523750 IZKMCDVXIMYVKG-HNNXBMFYSA-N 304.484 3.528 0 40 DHAB COc1cc(NC(=O)CCn2ccc3ccccc32)cc(OC)c1 21873836 UJRZGNAUVBZHKJ-UHFFFAOYSA-N 324.380 3.687 0 40 DHAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)n1ccc(C(F)(F)F)n1 27973922 JOPMCQNOFDTIOF-JTQLQIEISA-N 323.318 3.590 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(F)cc1Cl 32931288 XNHJQEKZJREILV-IAQYHMDHSA-N 313.800 3.804 0 40 DHAB Cc1ccc(C)c(NC(=O)NCCn2c(C)nc3ccccc32)c1 32951035 JVERJSXMJVHTOY-UHFFFAOYSA-N 322.412 3.783 0 40 DHAB Nc1ccc(C(=O)Nc2ccccc2OC(F)F)c(Cl)c1 37328037 ZTOVNHRVBRWVKS-UHFFFAOYSA-N 312.703 3.776 0 40 DHAB Cc1nccn1Cc1ccc(C(=O)NCCC2=CCCCC2)cc1 38852453 HNPMEKDEXXFBEE-UHFFFAOYSA-N 323.440 3.860 0 40 DHAB CCOc1ccc([C@H](O)c2ccccc2Br)cc1 40244576 PCHHHKDGSFCSBC-HNNXBMFYSA-N 307.187 3.930 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)cc1OC 40487953 NERYXMVZVCBGIF-HOCLYGCPSA-N 315.413 3.724 0 40 DHAB Cc1ccc(/C=C/C(=O)N(Cc2ccncc2)C2CC2)c(C)c1 58476266 IERMJZKXVHFLBC-VMPITWQZSA-N 306.409 3.903 0 40 DHAB COc1ccc(C2(NC(=O)CCc3ccccn3)CCCC2)cc1 67727481 YOWISZUPZMBQJB-UHFFFAOYSA-N 324.424 3.609 0 40 DHAB Cc1noc(C)c1NC(=O)NC[C@@H](Nc1ccccc1)C(C)C 69967521 KGWMGVRFAWORNS-OAHLLOKOSA-N 316.405 3.550 0 40 DHAB Cc1cc(COc2cccc(NC(=O)c3ccccc3)c2)on1 72283501 UBYFVLBZHCINLD-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB CO[C@@]1(C)C[C@H](N(C)Cc2nc3ccccc3s2)C1(C)C 72305313 HSTRWGMSSPVTFH-YOEHRIQHSA-N 304.459 3.932 0 40 DHAB Nc1ccc(-c2nc3cc(Cl)cnc3o2)cc1Br 78406877 YFXFBUKEAHEKAZ-UHFFFAOYSA-N 324.565 3.888 0 40 DHAB CCOc1ccc(-c2nc(-c3cccs3)n[nH]2)cc1OC 85384427 BMITXSGUUOYYBU-UHFFFAOYSA-N 301.371 3.608 0 40 DHAB COCc1nccc([C@@H]2CCCN(C/C=C/c3ccccc3)C2)n1 89420445 POVQZOQGNCVNIO-QKYXPGDISA-N 323.440 3.516 0 40 DHAB CNCc1cccc(NC(=O)Cc2ccccc2C(F)(F)F)c1 95427851 VSPLIBPJLAFCNM-UHFFFAOYSA-N 322.330 3.606 0 40 DHAB CCCOc1cc(C)ccc1NC(=O)NC1(CC)CCOCC1 95460887 AMPYHKLDOXHIJU-UHFFFAOYSA-N 320.433 3.865 0 40 DHAB Cc1nnc(CN2CCCCC[C@@H]2/C=C/c2cccs2)o1 96008643 PJDYTZAEYUFKJF-MYSGNRETSA-N 303.431 3.898 0 40 DHAB Cc1cccc(C2=N/C(=C/C3=Cc4ccccc4OC3)C(=O)O2)c1 96019509 GAOWISMXYQYNQS-GZTJUZNOSA-N 317.344 3.658 0 40 DHAB CN(Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccoc1)CC2 96051548 YSJOEEVONOSNIU-GOSISDBHSA-N 314.429 3.749 0 40 DHAB CC(C)N(C)[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1ccccc1 96061667 OBGRCIQEGQPHST-RTWAWAEBSA-N 323.484 3.607 0 40 DHAB c1coc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193975 ONABBQKCMGCVQC-UHFFFAOYSA-N 308.322 3.859 0 40 DHAB CCc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 96318725 PVOWFTNQDWKDGU-UHFFFAOYSA-N 323.440 3.912 0 40 DHAB CC1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 96435222 VKZQEAVGDCFWFW-UHFFFAOYSA-N 319.474 3.504 0 40 DHAB COc1cc(F)c([C@@H](C)NCc2ccncc2Cl)cc1OC 97033485 XHAPSOVGYFQLSB-SNVBAGLBSA-N 324.783 3.742 0 40 DHAB O=C(NC[C@H](O)c1ccco1)N(c1ccccc1)c1ccccc1 97082772 XOVURBALULEQDW-KRWDZBQOSA-N 322.364 3.861 0 40 DHAB CO[C@H](C)[C@H](C)NC(=O)c1cc(C(C)C)nc2ccccc12 97105097 NWVGVFWWNBMLCO-QWHCGFSZSA-N 300.402 3.511 0 40 DHAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CC[C@@H]2C[C@H]1CCCC[C@]13O4 100741973 NYWUQKFITQFOEY-ZKKXSORASA-N 304.430 3.741 0 40 DHAB CCCCCOc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 101530447 LWPLWZAYWWMXFB-CALCHBBNSA-N 313.397 3.711 0 40 DHAB CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1ccncc1 107151194 WOARYIGUEIKZLM-VHDGCEQUSA-N 307.463 3.506 0 40 DHAB CC(C)(C)c1ccc(OCC(=O)NCC2=CCCCC2)cc1 224260007 RDOLSEZNVKWIHB-UHFFFAOYSA-N 301.430 3.980 0 40 DHAB Cc1ccccc1CSCCNC(=O)Cc1ccccc1F 225445151 MPSUDVCMVAAWNO-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB C[C@@H](c1ccccn1)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 245204432 AZUVUIZQXCYECR-GJZGRUSLSA-N 319.449 3.522 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 251026723 WRMMKKLGHXNWQL-LTIDMASMSA-N 301.430 3.684 0 40 DHAB O=C(N[C@@H]1CCc2ccc(F)cc21)c1c[nH]nc1-c1ccccc1 520738539 NNPGEIAUUQNNRX-QGZVFWFLSA-N 321.355 3.633 0 40 DHAB Cc1ccc(C)c(C(=O)NCC[C@H](CCO)c2ccsc2)c1 575606877 KQKRAHGDPULFMZ-OAHLLOKOSA-N 317.454 3.651 0 40 DHAB CC(C)c1cc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)n(C(C)C)n1 585083689 LZWAZOJEDFSCSM-CZUORRHYSA-N 307.438 3.587 0 40 DHAB CCc1nsc(N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)n1 585090374 HBBJEMIWWFIOOJ-KKUMJFAQSA-N 315.442 3.600 0 40 DHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccccc3C)C2)n1 1888864325 PJUSQMJTTSCOIL-QGZVFWFLSA-N 324.424 3.630 0 40 DHAB COc1ccc(Nc2cc(C3CCOCC3)nc(C)n2)c(C)c1 1888879315 NLAFYILFEKPGLO-UHFFFAOYSA-N 313.401 3.740 0 40 DHAB CC[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)OC 84828 ODLKDTZHGZCMIK-SNVBAGLBSA-N 322.455 3.614 0 40 DHAB Cc1cccnc1NC(=O)c1ccccc1NC(=O)C(C)(C)C 268689 HNPNHXBQEWPNTQ-UHFFFAOYSA-N 311.385 3.627 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 363744 SSIGHDCPZUDZHA-UHFFFAOYSA-N 317.454 3.505 0 40 DHAB Cc1cccc2nc(-c3ccc(O)cc3)c(NC[C@@H]3CCCO3)n12 417426 LYILSOOPECFVRW-INIZCTEOSA-N 323.396 3.606 0 40 DHAB C[C@@H]1CCc2sc3ncnc(-n4nnc5ccccc54)c3c2C1 547310 YMVUMKBUHVQZQA-SNVBAGLBSA-N 321.409 3.550 0 40 DHAB COc1ccc(CSCC(=O)N[C@@H](C)c2ccccc2)cc1 562691 YTLNBSUKNIOZGA-AWEZNQCLSA-N 315.438 3.806 0 40 DHAB CCc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1 3423409 MILQOWIQHQYGRX-UHFFFAOYSA-N 322.452 3.808 0 40 DHAB COc1ccc([C@H](NC(=O)c2ccncc2)c2ccccc2)cc1 6881879 ARODZGWPNRBUSD-LJQANCHMSA-N 318.376 3.610 0 40 DHAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(C)on3)n2)c1 7723544 FAQFVLOVNFGHJE-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB CSc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 7745658 KUTXXRAXFUWRLP-UHFFFAOYSA-N 313.831 3.863 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 7940434 PBVCHNAJGBMZBJ-UHFFFAOYSA-N 302.305 3.646 0 40 DHAB CNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 7986982 IDCYJJCFDFVQNS-LBPRGKRZSA-N 323.421 3.523 0 40 DHAB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)O 8368061 QCHWCDXZJYDPMQ-VXLYETTFSA-N 313.353 3.526 0 40 DHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](C)CC 8714745 QFLJLAGKMSWZJJ-NSHDSACASA-N 319.854 3.514 0 40 DHAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2ccccc2)no1 9061626 XRKVGXVOLJWPLG-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB Cc1ccc(-n2nc(CSc3ccccn3)cc2O)cc1C 9937151 OTXDZHLXHMPWKL-UHFFFAOYSA-N 311.410 3.882 0 40 DHAB COC(=O)c1c(C)cccc1NC(=O)c1cc2ccccc2o1 11058486 HATHKBLVYZQKSE-UHFFFAOYSA-N 309.321 3.780 0 40 DHAB Cc1nc(Nc2ccc(O)c(C(=O)O)c2)cc(-c2ccccc2)n1 11907814 YXNWPXCFUDPOME-UHFFFAOYSA-N 321.336 3.599 0 40 DHAB O=C(O)Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 12020780 MYEWUEGUCOMGOI-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB Cc1ccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc32)cc1 12548924 OYLYDFPQIKNOKS-INIZCTEOSA-N 324.405 3.742 0 40 DHAB COc1ccccc1C(=O)OCc1cc(-c2ccccc2)no1 12810089 CBDBZJLSILKNRY-UHFFFAOYSA-N 309.321 3.707 0 40 DHAB Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1C 12997635 ZCSHGSKARNDYFN-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)Cc1c[nH]c2ccccc12 13012802 TXMVFRALIHWDRX-UHFFFAOYSA-N 322.408 3.556 0 40 DHAB Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(N)=S)cc1 13675232 OAFOIZLJFMIKPR-INIZCTEOSA-N 313.401 3.529 0 40 DHAB COc1ccc(CSc2nc3ccc(OC)cc3[nH]2)cc1 14704729 JBCWMHNPQOASMF-UHFFFAOYSA-N 300.383 3.872 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)c(OC)c1 16017700 MENBJWXFEUBORI-NSHDSACASA-N 319.788 3.848 0 40 DHAB COc1ccc(CN2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 19927309 AFXMBEHRPHCZKA-QGZVFWFLSA-N 317.385 3.609 0 40 DHAB Cc1ccccc1CSCCNC(=O)c1ccccc1F 20241918 MUKFCAUOHOXDIT-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 20450790 YBOSKBAYSIIXQR-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB CC1CCN(Cc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)CC1 20452821 CEQORBVDFWFPFW-KRWDZBQOSA-N 314.473 3.791 0 40 DHAB c1ccc(-c2nc(CN3CCc4ccccc4C3)cs2)nc1 22910439 AQBNJBLLYZDESD-UHFFFAOYSA-N 307.422 3.763 0 40 DHAB Cc1cc(CN(C)Cc2csc(-c3ccsc3)n2)no1 29727714 DDTCZQZBNADCAC-UHFFFAOYSA-N 305.428 3.800 0 40 DHAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc(F)c1 32930536 PZPAHKRVUKOSTP-UHFFFAOYSA-N 322.339 3.943 0 40 DHAB Cc1ccc(-n2nc(C)cc2NC(=O)c2cc(C)oc2C)cc1 40023531 CXYKHJBCJAALJG-UHFFFAOYSA-N 309.369 3.951 0 40 DHAB Cn1ccnc1[C@H](NCc1ccc(F)cc1)c1cccc(F)c1 42203958 QSRQMMYEAKXJGH-QGZVFWFLSA-N 313.351 3.578 0 40 DHAB COCCOc1ccc(NC(=O)NC2CCCCCC2)cc1 44301393 MUENJJDWYIHFDV-UHFFFAOYSA-N 306.406 3.556 0 40 DHAB CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)C1CC1 44545402 UEVIAGQCYOOJBZ-UHFFFAOYSA-N 321.380 3.823 0 40 DHAB C[C@@H](NC(=O)CC1CCCC1)c1nc(-c2ccc(F)cc2)no1 58195859 GZOJMJCXDIVKST-LLVKDONJSA-N 317.364 3.633 0 40 DHAB COCCOc1ccc(NC(=O)C2(C)CCCC2)cc1Cl 65729964 OUQBVKSNAURQLY-UHFFFAOYSA-N 311.809 3.884 0 40 DHAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 66146200 WSMKTLBZMYRCPA-LBPRGKRZSA-N 313.353 3.814 0 40 DHAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1cccc(F)c1 69530018 FDFYPUWQLXGCGQ-UHFFFAOYSA-N 313.307 3.618 0 40 DHAB CCO[C@@H]1CCCN(C(=O)Nc2ccc(CCSC)cc2)C1 69633076 VLMKKXDIVJZFGO-MRXNPFEDSA-N 322.474 3.625 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C 72214783 LSHVDJPNNJFOJH-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB CC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 75141591 RODJHWCSQJLPHX-CQSZACIVSA-N 323.318 3.779 0 40 DHAB CCc1cnc(CN(C)C(=O)[C@@H]2CCCc3ccccc32)s1 81081435 YRJAOKQUBGLZRG-MRXNPFEDSA-N 314.454 3.784 0 40 DHAB COC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC(=O)CC1 90513052 CCJGDVJEDVTSDN-UHFFFAOYSA-N 301.169 3.547 0 40 DHAB c1cc(OC2CCCC2)ccc1OCc1nnc(C2CC2)o1 95402944 MWGXIEMWVDVRBT-UHFFFAOYSA-N 300.358 3.847 0 40 DHAB c1ccc2c(c1)CCSC[C@H]2NCc1cn2ccsc2n1 95421033 RQICCPXNZCEZRG-OAHLLOKOSA-N 315.467 3.516 0 40 DHAB C[C@@H]1C[C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)CCO1 95457624 XWPAHWYINYZIJX-NXEZZACHSA-N 317.216 3.930 0 40 DHAB O=C(CCCc1ccccn1)O[C@@H]1CCCOc2ccccc21 95973449 KRRJLFWASGHZPP-GOSISDBHSA-N 311.381 3.861 0 40 DHAB c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cccnc2)cc1 96061593 RWCFTJUNBNYUIY-LEWJYISDSA-N 322.452 3.694 0 40 DHAB O=C(O[C@@H]1CCSC1)c1csc(Cc2ccccc2F)n1 96410814 LTQRAJACKFWZPD-LLVKDONJSA-N 323.414 3.535 0 40 DHAB Cc1nc(-c2ccccn2)nc(Oc2cncc(Cl)c2)c1C 96413752 OAGIQLLXCBAGJM-UHFFFAOYSA-N 312.760 3.996 0 40 DHAB CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H]2C2CCCC2)s1 96454213 RPRAFKROIPYZMX-OCCSQVGLSA-N 322.474 3.954 0 40 DHAB CSc1ccccc1NCC(=O)Nc1ccc(Cl)cn1 96969924 DPEJGOWZBHEILJ-UHFFFAOYSA-N 307.806 3.508 0 40 DHAB CSc1nc(-c2ccccc2)cn1Cc1nnc(C2CC2)o1 97014887 IEINFHARVYWBSZ-UHFFFAOYSA-N 312.398 3.581 0 40 DHAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(C)cc1 101084811 BXVXTPNKOBMPNX-BEFAXECRSA-N 324.380 3.773 0 40 DHAB Cc1cc([C@H]2CCCN2C[C@@H](O)c2ccc(Cl)cc2)on1 108182453 BNGGLLHEJSDTGP-HUUCEWRRSA-N 306.793 3.507 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NCC2=CCCCC2)cc1 224338983 VOKYDILUFKYMSN-CYBMUJFWSA-N 305.443 3.792 0 40 DHAB CC(=O)c1ccc(CCNC(=O)Nc2ccccc2Cl)s1 225675280 RWXZEJJFIAWLSE-UHFFFAOYSA-N 322.817 3.968 0 40 DHAB Cc1onc(-c2ccc(OCc3ccccc3)cc2)c1C(=O)O 226099840 CIGFAKPDEGSRNP-UHFFFAOYSA-N 309.321 3.927 0 40 DHAB S=C(NCCCc1ccccc1)NCCCc1ccccc1 243191630 KAAYRKABOQYQMM-UHFFFAOYSA-N 312.482 3.716 0 40 DHAB COc1ccc2[nH]cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2c1 248243598 IJRAKYPXVXMMGT-PWNZVWSESA-N 312.413 3.731 0 40 DHAB Cc1c[nH]c([C@H]2CN(Cc3cc4ccccc4s3)CCO2)n1 257333594 YCFRQBXHLLHOSL-OAHLLOKOSA-N 313.426 3.506 0 40 DHAB COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@@H](C)C2 37955 PQYPVJFRRALJMY-SECBINFHSA-N 309.431 3.644 0 40 DHAB Cc1ccccc1CSC1=Nc2ccccc2C2=NC(=O)CN12 1389946 MFKROSUABKKJAN-UHFFFAOYSA-N 321.405 3.518 0 40 DHAB O=C(Oc1ccccc1)N1CCN=C1SCc1ccccc1 1405649 LFTCFTMNXCBMAU-UHFFFAOYSA-N 312.394 3.790 0 40 DHAB CCCCOC(=O)CNc1cc(C(F)(F)F)ccc1OCC 1893394 FSOLQSONFIXZJT-UHFFFAOYSA-N 319.323 3.859 0 40 DHAB CSc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 3326828 NFRIJTRUDJWXSQ-UHFFFAOYSA-N 300.383 3.619 0 40 DHAB O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCCC2 3551540 SVCRLNSVJSEAPY-UHFFFAOYSA-N 302.351 3.575 0 40 DHAB O=C1CCCNc2c(Br)cc(Br)cc21 4822696 UUDUHLGTILRDFO-UHFFFAOYSA-N 318.996 3.600 0 40 DHAB COc1ccc(/C=C/C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 5528059 LYQVWHQZEBRRFL-LLVNNSLESA-N 303.402 3.507 0 40 DHAB CCN(CC)C(=O)c1ccc(OCc2ccccc2)c(OC)c1 6139150 GBVZQCJYBGZNMK-UHFFFAOYSA-N 313.397 3.756 0 40 DHAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 7644793 AMXVYAXCFOFGBG-NSHDSACASA-N 317.772 3.602 0 40 DHAB COc1ccc(CC(=O)N[C@@H](c2cccs2)C(C)C)cc1 7925018 NYHYQKKLYCIWMY-QGZVFWFLSA-N 303.427 3.813 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 7928339 ILMRPZXLHSPEGQ-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl 8746112 HYZVJHXTOIJKJC-UHFFFAOYSA-N 314.772 3.785 0 40 DHAB Cc1ccc2c(c1)[C@H](c1ccccc1)[C@H](N1CCCCC1)C(=O)N2 9186563 QEGHIXFHUNLHMD-PMACEKPBSA-N 320.436 3.934 0 40 DHAB COc1ccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc2c1 9236151 ODHMESUUDWKSFH-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2ccc3scnc3c2)c1 10217413 CHYTWTFYLCYWQB-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)c1ccc[nH]1 10714954 ISDGUPDMHCCHPE-UHFFFAOYSA-N 302.330 3.784 0 40 DHAB CCOc1cc(Nc2ccc(NC(=O)C(C)C)cc2)nc(C)n1 12225348 MPNNVXHQDLBQFI-UHFFFAOYSA-N 314.389 3.522 0 40 DHAB CC(C)CC[C@H](C)NC(=O)c1cnc2c(cnn2C(C)C)c1 12905226 CKQQNNFPZAMPKG-ZDUSSCGKSA-N 302.422 3.567 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1cccc(C)c1)O[C@@H](C)C2 12972160 BYVIVIGKKDNYFA-ZDUSSCGKSA-N 311.381 3.969 0 40 DHAB Cc1cc2n(n1)[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 13123880 ONWDLTBSWXSNBZ-GOSISDBHSA-N 305.337 3.560 0 40 DHAB CC1=C[C@@](O)(c2ccccn2)[P@](=O)(c2ccccc2)C=C1C 13213203 PJICAWSJXGVEIJ-PGRDOPGGSA-N 311.321 3.779 0 40 DHAB CC1CCC(NC(=O)c2ccc(F)cc2Br)CC1 14246048 NXLPUACFXMVWHH-UHFFFAOYSA-N 314.198 3.897 0 40 DHAB S=C(NCc1ccccc1)N[C@H]1CCSc2ccccc21 15940935 XZJBTVHABBDODG-HNNXBMFYSA-N 314.479 3.888 0 40 DHAB CC(C)[C@@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 17055757 KLHHTOWTXHRNRS-CQSZACIVSA-N 307.397 3.800 0 40 DHAB CCc1ccc([C@H](CNC(=O)Nc2ccccc2)N(C)C)cc1 18180265 VWYIHAWWBCPLPP-SFHVURJKSA-N 311.429 3.673 0 40 DHAB O=C(NCCOc1ccc(Cl)cc1)Nc1ccc(F)cc1 18181906 GDNUSFQQPPJJIT-UHFFFAOYSA-N 308.740 3.680 0 40 DHAB Cc1cc2c(cc1-c1nc3c(cnn3C3CCCCC3)[nH]1)OCO2 20455810 FUMBVEMLZCQKIX-UHFFFAOYSA-N 324.384 3.969 0 40 DHAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 22525253 GGVAJBZQIAFWDK-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB CC(C)CCNC(=O)c1ccccc1NC(=O)c1cccs1 22833732 OZIFAHVHUKMRON-UHFFFAOYSA-N 316.426 3.776 0 40 DHAB CCCNC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 31423691 GCECWWDRFXTIAW-UHFFFAOYSA-N 324.833 3.754 0 40 DHAB CC(C)c1nc(CC(=O)NCC2(c3ccccc3)CC2)cs1 33230905 NSOQWOQFEZSOHC-UHFFFAOYSA-N 314.454 3.657 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2cccc3ccccc23)C1 36597085 HFXCITHPWPIGGI-JZXOWHBKSA-N 313.441 3.557 0 40 DHAB COc1ccc(S[C@H](C)C(=O)N(C)C2CCCC2)cc1OC 38754947 AOWWKZXFVTZWRS-GFCCVEGCSA-N 323.458 3.585 0 40 DHAB CCOCc1ccccc1CNC(=O)c1ccc(C)c(F)c1 40072064 MDVDWLOVRUVVLI-UHFFFAOYSA-N 301.361 3.601 0 40 DHAB O=S(=O)(c1ccccc1NC(C1CC1)C1CC1)C(F)(F)F 42374352 ADOMFEGTVCAMLX-UHFFFAOYSA-N 319.348 3.581 0 40 DHAB COc1ccccc1OCC(=O)NCc1ccc2ccccc2c1 45201319 YDFHRLSAIYISSL-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB CCc1cc(N)cc(C)c1NC(=O)Cc1ccc(Cl)cc1 45888364 LCSVESNVMRWQAZ-UHFFFAOYSA-N 302.805 3.974 0 40 DHAB COc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)c(OC)c1 48204728 HOZCQTVGMUNGKA-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB COc1ccc(OC)c(CCC(=O)N(C)C2CCC(C)CC2)c1 48303209 KDHRUFHUOLNNNV-UHFFFAOYSA-N 319.445 3.674 0 40 DHAB O=C(Cc1ccc2c(c1)CCC2)N1CCCc2ccc(F)cc21 58369947 CCSFLFLKFILFPL-UHFFFAOYSA-N 309.384 3.836 0 40 DHAB O=c1oc2ccc(Cl)cc2n1CNc1ccccc1Cl 59474379 RHXUIQXAKJIEOW-UHFFFAOYSA-N 309.152 3.971 0 40 DHAB CCn1nc(C)c(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1C 60370824 ASWRMWQZPBWXRL-ZSOIEALJSA-N 301.777 3.666 0 40 DHAB CC[C@@H](O)CN(Cc1nnc(-c2ccccc2)o1)c1ccccc1 71185729 BAHPOMIRFYXJMP-QGZVFWFLSA-N 323.396 3.514 0 40 DHAB O=C(c1ccccc1)[C@H]1CCC[C@@H](C[C@@H](O)c2ccccc2)N1 71775436 CNWKJIFYKGLTLI-IPMKNSEASA-N 309.409 3.504 0 40 DHAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C 72214512 DSXINVWLOVHLFQ-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB Cn1c(S[C@H]2CCc3ccc(F)cc32)nnc1-c1ccco1 72312857 YLBUNEYFQYPYSX-AWEZNQCLSA-N 315.373 3.994 0 40 DHAB Cc1csc(N(C(=O)c2ccnc(C)n2)c2ccccc2)n1 79588343 GSFHOZCDGJPNOE-UHFFFAOYSA-N 310.382 3.528 0 40 DHAB C[C@@H](NCCCc1cccc(Br)c1)c1cnccn1 89555552 ZQODFQIXOSKPBW-GFCCVEGCSA-N 320.234 3.523 0 40 DHAB COc1cc(C)ccc1Oc1ccc(NCc2cc[nH]n2)cn1 97045395 DPPNXIZKPIYYEP-UHFFFAOYSA-N 310.357 3.526 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 100749501 YYZRXYBGIXILTB-RTBURBONSA-N 313.397 3.613 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccccc1F 138835316 VQDRMFRZWKBZCQ-CYBMUJFWSA-N 318.417 3.888 0 40 DHAB FC(F)(F)c1ccnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 185505285 DWTXRYIDNOPGMX-CHWSQXEVSA-N 323.318 3.828 0 40 DHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)s1 225388206 VKQSAPFTUUBZTL-UHFFFAOYSA-N 305.783 3.650 0 40 DHAB NC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225450077 YGPDSYVAAQLUKH-UHFFFAOYSA-N 317.392 3.569 0 40 DHAB Nc1ccc(Nc2cccc(Cl)c2)c(C(=O)N2CCCC2)c1 225470519 JJQAVWNNYYEKDJ-UHFFFAOYSA-N 315.804 3.902 0 40 DHAB COC(=O)[C@H]1C[C@@H](C(F)(F)F)CC2(C1)SCCCS2 225757866 BTMMPHFRAPWXIM-DTWKUNHWSA-N 314.394 3.704 0 40 DHAB O=C(O)c1cc(C(F)(F)F)nn1Cc1cccc2ccccc12 408717604 JXJHPHDXAGDNOL-UHFFFAOYSA-N 320.270 3.802 0 40 DHAB CCc1nnc(NC(=O)c2csc3c2CC[C@@H](CC)C3)s1 538881 CNDHSXLKDLKUSD-SECBINFHSA-N 321.471 3.929 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1c(OC)cccc1OC 559992 SERCMXVDMQXEQI-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB COc1ccc(C(=O)c2ccc(Cl)cc2)c(OC)c1OC 1678817 NHXKHBAJKVHPBR-UHFFFAOYSA-N 306.745 3.597 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 2632270 DEQSLPVLUAONHE-STQMWFEESA-N 303.789 3.985 0 40 DHAB O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C/c1ccsc1 3270066 CFFKOYQYQPHHAS-WUXMJOGZSA-N 321.304 3.694 0 40 DHAB CN(C)[C@@H](CNC(=S)Nc1ccccc1Cl)c1ccco1 3335674 XNSLKRFVYYWCDM-ZDUSSCGKSA-N 323.849 3.522 0 40 DHAB CC(C)(C)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305081 KSSVSUHUNVWGHW-INIZCTEOSA-N 312.413 3.546 0 40 DHAB CCCNc1nc(SCc2ccc(Cl)cc2)nnc1C 5010529 FSFDWQKGHUFECC-UHFFFAOYSA-N 308.838 3.948 0 40 DHAB CC(C)[C@@H]1[C@@H](O)[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)CO)[C@@H]2C[C@H]13 5104524 GZDLNFIMMVRZGR-UPYZFMFOSA-N 306.490 3.854 0 40 DHAB O=C(COc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 6392497 VGIZZDFUVDCDFD-UHFFFAOYSA-N 313.250 3.862 0 40 DHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1 6647132 QPBGZDUQZDVPED-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB Cc1cc2oc(C(=O)Nc3nonc3C)c(C)c2cc1Cl 6811516 VWOSFISLPDWSMX-UHFFFAOYSA-N 305.721 3.647 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 8041684 XBDVXOFCXRRCAN-MRXNPFEDSA-N 309.409 3.656 0 40 DHAB COc1c(F)c(F)c(C(=O)Nc2ccccc2F)c(F)c1F 9141594 GTJRCXPGTKGFDB-UHFFFAOYSA-N 317.213 3.643 0 40 DHAB Cc1cc(C2=NN=C(NC(C)(C)C)SC2)c(C)n1C(C)C 9884191 YOBSPKFBNQJGPP-UHFFFAOYSA-N 306.479 3.881 0 40 DHAB COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)Nc2ncnn21 13127465 LMXKCNNGJAXAPZ-IAGOWNOFSA-N 320.396 3.741 0 40 DHAB COc1ccc(NC(=S)N2[C@H](C)CCC[C@H]2C)cc1OC 13826812 BWMXTGDHNJAMJD-VXGBXAGGSA-N 308.447 3.664 0 40 DHAB C[C@H](Sc1nnc(-c2ccncc2)n1C)c1ccc(F)cc1 14092770 IZIAAWOLXUHBSP-NSHDSACASA-N 314.389 3.870 0 40 DHAB Cc1ccc(C)c([C@H](C)NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 14573285 WTBIZIOVUDECEG-KBXCAEBGSA-N 323.392 3.782 0 40 DHAB CN(C)c1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 17062367 GMPMRGASXOFTMW-UHFFFAOYSA-N 312.457 3.699 0 40 DHAB CCc1noc(C)c1C(=O)Nc1ccc(-c2nccs2)cc1 17590856 MRKTWDIYIYFRJK-UHFFFAOYSA-N 313.382 3.921 0 40 DHAB O=C(Cc1ccccn1)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19373833 XKEGCBQWPRMIQS-ZFMNYDKASA-N 320.436 3.713 0 40 DHAB COc1ccc(CSCC(=O)NCc2ccccc2C)cc1 20237787 FEAGMGVVOJCXFX-UHFFFAOYSA-N 315.438 3.553 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)N1CCc2sccc2C1 24749348 GZRJKGLKRZJLHR-GFCCVEGCSA-N 316.426 3.586 0 40 DHAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(C)=O)c[nH]1 26861594 SKCBYEJSLQGAAI-UHFFFAOYSA-N 310.806 3.595 0 40 DHAB O=C(c1ccc(Cl)cc1F)N1CCO[C@H](c2ccccc2)C1 27908461 FNNQVFVNRXCCLM-INIZCTEOSA-N 319.763 3.693 0 40 DHAB Cc1cc(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)no1 32841324 AILTVIQVWCKJPK-NSHDSACASA-N 323.805 3.995 0 40 DHAB CCC[C@@H](NC(=O)c1ccc(C(=O)OC)s1)c1ccccc1 32906556 BOEMIEDWLQHKTI-CYBMUJFWSA-N 317.410 3.806 0 40 DHAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)c1ccc[nH]1 35355454 NLWLGFODQDNBTP-LJQANCHMSA-N 322.433 3.907 0 40 DHAB O=C(O)c1ccc2nc(-c3cccc(Br)c3)[nH]c2c1 37400859 LJFGIZCBKLQFLY-UHFFFAOYSA-N 317.142 3.691 0 40 DHAB N[C@H](CC(=O)O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 44216759 NALUAFBDJSUGSD-SNVBAGLBSA-N 300.141 3.728 0 40 DHAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(F)cc1Cl 44253621 MGEDMUPXHYCEKS-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB C[C@@H](C(=O)N[C@@H](c1cccs1)C1CCCC1)n1ccnc1 48333351 KJGZGQWPECOTKO-SWLSCSKDSA-N 303.431 3.553 0 40 DHAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(F)c(Cl)c1 48962820 GNOFPCQGONMIJP-ZCFIWIBFSA-N 301.152 3.678 0 40 DHAB COc1ccccc1Nc1cc(N)nc(-c2ccc(F)cc2)n1 49467991 OKACYFXKNNRLTM-UHFFFAOYSA-N 310.332 3.617 0 40 DHAB Cc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1 57354760 WCEITPGRROAFKD-UHFFFAOYSA-N 303.321 3.554 0 40 DHAB Cc1ccc2c(c1)c(=O)c(-c1nc(-c3ccccc3)no1)cn2C 57354789 YHJPYMHGJJWNIO-UHFFFAOYSA-N 317.348 3.564 0 40 DHAB Cc1cccc(C)c1NC(=O)CNCc1ccc(Cl)cc1 58160394 QPVUHVCMAOTXLF-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB Cc1ccc(-n2nnnc2SCCc2cccs2)c(C)c1 58162792 HMKPZOVWIXWMIB-UHFFFAOYSA-N 316.455 3.675 0 40 DHAB CCCC[C@@H](CC)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 60802847 BXFUJECZVYCZDB-KUHUBIRLSA-N 314.429 3.596 0 40 DHAB CC(C)[C@@H](C)NC(=O)C1(c2ccccc2Cl)CCOCC1 69652780 BWMZNISOPPSZQV-CYBMUJFWSA-N 309.837 3.549 0 40 DHAB COCc1nc(C(=O)N2CCC[C@H]2c2ccccc2C)cs1 71830958 WNNKFUUYEKKYAJ-HNNXBMFYSA-N 316.426 3.575 0 40 DHAB COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)C(C)C)cc12 71877716 CRMIATOEFFFHMW-UHFFFAOYSA-N 315.369 3.633 0 40 DHAB CC(C)c1csc([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1 72297272 PWSDRRNDCXJIIH-UONOGXRCSA-N 322.474 3.542 0 40 DHAB O=C(NCc1cccs1)N(CCc1cccs1)C1CC1 75154829 XCSJFSSAUDKLDR-UHFFFAOYSA-N 306.456 3.726 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)CSCc2csc(C)n2)c1C 75584433 LRSZRYROBZATDW-UHFFFAOYSA-N 322.455 3.715 0 40 DHAB C[C@@H](CNC(=O)N[C@@H](C)c1ccncc1)Sc1ccccc1 76085222 REZIAJMVTLGKSA-KBPBESRZSA-N 315.442 3.623 0 40 DHAB CCN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@H](C)COC 78780330 NFHFSTYUQAOGBO-CQSZACIVSA-N 309.409 3.755 0 40 DHAB COc1ccc(CNc2ccccc2C(=O)N(C)C)c(Cl)c1 84491293 DLLYMBMRMXAGQF-UHFFFAOYSA-N 318.804 3.663 0 40 DHAB O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cccnc1 89878979 LXHRUGFDZQPBHI-QGZVFWFLSA-N 323.783 3.649 0 40 DHAB Cc1ccc(CCC(=O)N(C)[C@@H](c2cccnc2)C(C)C)o1 95405768 YWOCPVRBDNSXQD-GOSISDBHSA-N 300.402 3.771 0 40 DHAB Cc1nc([C@H](N[C@@H]2CCCc3sccc32)c2ccccc2)n[nH]1 95421726 KCQFDRQMUZYEPX-NVXWUHKLSA-N 324.453 3.931 0 40 DHAB C[C@H](NCCCO)c1nc(-c2ccc(F)c(Cl)c2)cs1 96014121 DSWGQZXWQWRYCO-VIFPVBQESA-N 314.813 3.636 0 40 DHAB CO[C@](C)(CNC(=O)c1ccccc1C)c1cccc(Cl)c1 96392331 CDNLLPJIIGIBIP-GOSISDBHSA-N 317.816 3.940 0 40 DHAB C[C@@H](NC(=O)c1ccc2ncsc2c1)[C@H]1C[C@H]2CC[C@H]1C2 102203872 NHYRPZHPNZYKLN-OWTLIXCDSA-N 300.427 3.851 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 107135365 MSOCYLCMSPAEGT-NJZAAPMLSA-N 324.852 3.996 0 40 DHAB Cn1c(-c2ccccc2)cn2cc(-c3ccc4c(c3)OCO4)nc12 199415140 VFWOAJVRFGEQBB-UHFFFAOYSA-N 317.348 3.736 0 40 DHAB CNC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 212184137 ATBKSQCHBDEDGI-UHFFFAOYSA-N 310.184 3.679 0 40 DHAB CC[C@@H](NC(=O)Cc1cccs1)c1ccc(OC)c(C)c1 223131788 VQYOAYSSSXEMIO-OAHLLOKOSA-N 303.427 3.875 0 40 DHAB COc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)cc1C 224607734 BOMWMWSFGVYGCQ-CYBMUJFWSA-N 301.361 3.563 0 40 DHAB CCc1ccccc1N(CC)S(=O)(=O)c1ccc(C)cc1 224682289 MXHCXDYJEWFSCG-UHFFFAOYSA-N 303.427 3.773 0 40 DHAB O=C(Nc1ccn2nccc2c1)c1cc(Cl)sc1Cl 225595901 AXCFFPISHMVELZ-UHFFFAOYSA-N 312.181 3.955 0 40 DHAB CCN(CC)c1ccc(N)cc1NC(=O)/C=C/c1ccccc1 226260440 IMKOPQLAKHFAFI-JLHYYAGUSA-N 309.413 3.767 0 40 DHAB COc1ccc(CCNC(=S)c2cccc(Cl)c2)cc1 408573704 JYDWELJZYQYXIB-UHFFFAOYSA-N 305.830 3.856 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(CC)c2C)C1=O 409019292 IOHBWFRSOUTCSL-GMROUXNLSA-N 306.431 3.960 0 40 DHAB COc1ccc([C@H](C)CN2CCc3nc(C4CC4)ncc3C2)cc1 528740754 IIFKMLGXZYUIGP-CQSZACIVSA-N 323.440 3.524 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1c(C)cc(Br)cc1C 575362481 POMOJZHONNGUPO-UHFFFAOYSA-N 313.191 3.590 0 40 DHAB Cc1nnc(CN(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)s1 585094493 QYIRACFTSHVAOS-QMMMGPOBSA-N 321.837 3.569 0 40 DHAB CC(C)N(C)CCOC(=O)[C@H](c1ccccc1)C1CCCC1 1641391 RGWSLNIQOSVCQW-GOSISDBHSA-N 303.446 3.844 0 40 DHAB O=C(O)[C@]1(Br)CC12c1ccccc1-c1ccccc12 1705751 XAXOSYPNKFMSGC-MRXNPFEDSA-N 315.166 3.575 0 40 DHAB CSc1ccc(CCOC(=O)c2ccccc2C(=O)O)cc1 1720936 KDVMQNZXKPWOJG-UHFFFAOYSA-N 316.378 3.506 0 40 DHAB CC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)nc(C)n2)c1C 2182958 GSIYXQRWRBHOOD-UHFFFAOYSA-N 322.368 3.582 0 40 DHAB Cc1ccc(C[C@H](Sc2nc3ccccc3[nH]2)C(=O)O)cc1 2797482 QATPKVVHVNKVMB-HNNXBMFYSA-N 312.394 3.659 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2ccc(F)cc2Cl)cc1 3241306 DKHOOOXXPITNBD-UHFFFAOYSA-N 306.720 3.827 0 40 DHAB COc1ccc(Nc2ssc(=O)c2Cl)cc1OC 3324732 HLVIKMRBSJUDNA-UHFFFAOYSA-N 303.792 3.584 0 40 DHAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(Cl)c2)c1 4523777 ZBCKYHMNVUKSLZ-UHFFFAOYSA-N 302.757 3.997 0 40 DHAB Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(F)cc2)C(=O)N1 4852922 OWLCXSOAPCDYRZ-CRAIPNDOSA-N 312.344 3.904 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1cccs1 4923388 BLGNYUIODLVIML-UHFFFAOYSA-N 311.410 3.732 0 40 DHAB CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 6440133 MNDHHXNRWCXHNR-RDDDGLTNSA-N 319.188 3.614 0 40 DHAB CCN1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c(Cl)c1 6583929 WWCFMRNUFNYICJ-NSHDSACASA-N 316.232 3.599 0 40 DHAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1 6850996 VEWZSUWXBOWEHM-NHYWBVRUSA-N 320.845 3.749 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)CCC1CCCCC1 7814316 ASTGMECDVNEIJM-UHFFFAOYSA-N 318.417 3.953 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccccc1 8041284 LDEATQHKFAHJHI-CJNGLKHVSA-N 301.361 3.861 0 40 DHAB O=C(NCc1cccnc1)c1ccccc1Nc1ccccc1 9645539 OCHWAZPTFDGFCB-UHFFFAOYSA-N 303.365 3.755 0 40 DHAB C[C@H](Nc1ccc2c(c1)OCO2)c1nnc(-c2ccccc2)o1 9944346 BDNAUVXIFVZGPT-NSHDSACASA-N 309.325 3.638 0 40 DHAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 12144506 DVOPRKZTGKARBK-PMSBKCLSSA-N 323.436 3.710 0 40 DHAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1 14162007 ZEVZSPLWOPXMPY-JTQLQIEISA-N 314.414 3.773 0 40 DHAB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(C)c(C)c1 14216772 TYWFGYMJKRWBGD-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB CC(C)[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 15550254 DWWAMDAYFHIACP-PMACEKPBSA-N 322.452 3.993 0 40 DHAB Cc1ccc2oc(=O)c(-c3nc(-c4ccccc4)no3)cc2c1 15678951 NRHOXBKLAVYFJO-UHFFFAOYSA-N 304.305 3.818 0 40 DHAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 15860007 GSVAVLALCYHGIF-QGZVFWFLSA-N 312.413 3.545 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(F)c(F)c1 20030307 JOCPSKAUCVCROX-VQHVLOKHSA-N 319.307 3.634 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 20048639 CIKVHDWPRMOSBV-SJCJKPOMSA-N 319.351 4.000 0 40 DHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccn1 20460574 ISGDGJQCRWMSEH-SFHVURJKSA-N 320.392 3.709 0 40 DHAB CN(C(=O)c1cc2c(nc3sccn32)s1)c1ccccc1 22739385 GSKLKJKDRLGJDS-UHFFFAOYSA-N 313.407 3.887 0 40 DHAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(NC(=O)C2CC2)cc1 27294071 ORQLDEOGIGMQGB-KGLIPLIRSA-N 312.413 3.569 0 40 DHAB CC(C)CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27662153 ZVEFNYPLAVTPDN-INIZCTEOSA-N 308.853 3.639 0 40 DHAB Cc1ccc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)cc1 32754835 LUMGYUYHIXCOTB-QGZVFWFLSA-N 305.381 3.849 0 40 DHAB C[C@H]1CCc2c(sc3nc(C4CC4)n4c(S)nnc4c23)C1 35312169 VHUSWHWLUROSPD-ZETCQYMHSA-N 316.455 3.630 0 40 DHAB CC(=O)Nc1ccc(OC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 36718026 RWQZBGTZMQYQNR-UHFFFAOYSA-N 322.364 3.962 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOc2ccccc21 36763830 BQIYJDYMEVQPTK-LBPRGKRZSA-N 317.772 3.533 0 40 DHAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccn1 39517187 UYQFZCLZXJNFRQ-LBPRGKRZSA-N 309.394 3.696 0 40 DHAB O=C(c1cccs1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40817606 QZKQXVHZIUUIAN-LBPRGKRZSA-N 311.410 3.644 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1cccs1 44086978 XGZAFFCHCPVGCT-SNVBAGLBSA-N 314.370 3.681 0 40 DHAB C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)[C@H]1CCCO1 49674861 UKQLMAPXERGLPT-DNVCBOLYSA-N 324.424 3.752 0 40 DHAB COc1cccc(CC(=O)N2CCCCC[C@H]2c2ccncc2)c1 49764639 NXKKULUZLAWQEZ-IBGZPJMESA-N 324.424 3.777 0 40 DHAB C[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1 57722110 NURBNWLPVWCXFH-DYVFJYSZSA-N 316.832 3.820 0 40 DHAB CC(C)NC(=O)CSCc1ccc(Cl)c2cccnc12 60514657 JAGIBYUIEUIENZ-UHFFFAOYSA-N 308.834 3.646 0 40 DHAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCCc1ccccn1 65589119 IAXZSLKJPIYAJX-MRXNPFEDSA-N 323.440 3.634 0 40 DHAB O=C(O)c1nsc2c1N=C(O)C[C@H]2c1ccccc1Cl 71281189 FTKAQOLRHVMRGL-ZETCQYMHSA-N 308.746 3.618 0 40 DHAB O=C(NCc1ccncc1)N[C@@H](c1ccc(F)cc1)C1CCC1 75127695 IKKZCJQLSMMOIO-QGZVFWFLSA-N 313.376 3.561 0 40 DHAB CC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 75903243 FIDMIHDEZKAYFN-UHFFFAOYSA-N 310.806 3.929 0 40 DHAB C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(SC(F)F)cc1 77658119 ZVBSKTJSCMOLMD-NXEZZACHSA-N 318.389 3.530 0 40 DHAB O=c1ccn(CCOc2cc(Cl)cc(Cl)c2)c(Cl)c1 78991267 ATEAGXJKKBPXHF-UHFFFAOYSA-N 318.587 3.888 0 40 DHAB CN(C(=O)Cc1ccccc1O)[C@@H](c1ccc(F)cc1)C1CC1 83843902 GEFIVXZFMQODEC-LJQANCHMSA-N 313.372 3.684 0 40 DHAB O=C(CC1=CCCCC1)N1CCC[C@@H]1c1noc(C2CC2)n1 84137134 IMORTKNCHODOGU-CQSZACIVSA-N 301.390 3.501 0 40 DHAB O=C(NCC1CCCCCCC1)c1cc(=O)c2ccccc2o1 84585448 KIUADAAXKYIPBH-UHFFFAOYSA-N 313.397 3.883 0 40 DHAB C[C@@H](CC(=O)OCc1ccc(-n2cccn2)cc1)c1ccncc1 84636949 YANQCWCTACVDJE-HNNXBMFYSA-N 321.380 3.504 0 40 DHAB CCc1noc([C@H](C)SCc2ccc(C(=O)OC)c(F)c2)n1 95410973 RVHXIKXXIFDZOG-VIFPVBQESA-N 324.377 3.552 0 40 DHAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)c1 95915156 MABHEVIOUKQMLD-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB Cc1ncc(C(=O)N2CC(C)(C)Sc3ccccc32)c(C)n1 95991280 FQJSIUMQKUIFRP-UHFFFAOYSA-N 313.426 3.625 0 40 DHAB CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(C(C)C)no2)CCO1 95994007 BREFPWNBMFRLEH-ZFWWWQNUSA-N 308.422 3.512 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl 96319090 JMUUHRKIGSTBOI-SECBINFHSA-N 311.168 3.794 0 40 DHAB O=C(NCc1ccc(-c2cccnc2)cc1)[C@@H]1CC1(Cl)Cl 96433310 UWNSVOMMPHYERD-AWEZNQCLSA-N 321.207 3.559 0 40 DHAB O[C@H](C[C@@H]1CCCCCN1Cc1cscn1)c1ccco1 96468672 HFGVCZNETUBZOA-LSDHHAIUSA-N 306.431 3.604 0 40 DHAB C[C@H]1CCN(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 97139901 KQNOKGZITAAWRM-ZDUSSCGKSA-N 324.380 3.639 0 40 DHAB Cc1cccc(NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)n1 97378582 OFJJEPOKLFTCJV-CYBMUJFWSA-N 322.368 3.928 0 40 DHAB FC1(F)[C@@H]2c3ccccc3[C@@H]([n+]3ccncc3)c3ccccc3[C@@H]21 100031553 SNEMFWYESXXNAO-REPLKXPHSA-N 321.350 3.837 0 40 DHAB in-vitro O=C(NCCc1csc(-c2ccccc2)n1)C1[C@H]2CCC[C@H]12 101528035 HEQYNDNBQKLIHL-GJZGRUSLSA-N 312.438 3.515 0 40 DHAB CC(C)c1noc([C@@H](C)N2C[C@H](c3ccccc3)O[C@H](C)C2)n1 106831231 LLEYMRLMNXMNQX-IIAWOOMASA-N 315.417 3.716 0 40 DHAB CCc1ncc(NC(=O)N2CCC[C@](C)(c3ccccc3)C2)cn1 119263932 RMWCIRSFSSEYJE-IBGZPJMESA-N 324.428 3.625 0 40 DHAB Cc1c(C=O)c2ccccc2n1C(=O)COc1ccccc1F 218741871 LVTCHAKGVQQRQF-UHFFFAOYSA-N 311.312 3.621 0 40 DHAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cccs1 224646636 ACWVQEIRGPOFTP-UHFFFAOYSA-N 314.454 3.664 0 40 DHAB CC1(C)COc2ccc([C@H](O)c3ccccc3F)cc2OC1 225356883 PIAGHEDQDOATOZ-KRWDZBQOSA-N 302.345 3.705 0 40 DHAB CCOc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1C 225403644 FCKQJCOJBMOSBJ-UHFFFAOYSA-N 315.388 3.895 0 40 DHAB CC(C)CNC(=O)CCc1nc(-c2cccc3ccccc23)no1 225826943 SUMHJZROGXLBBZ-UHFFFAOYSA-N 323.396 3.595 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1 225858636 FFVCKVHYENMDPF-HNNXBMFYSA-N 309.409 3.649 0 40 DHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)nc1C 225885790 DYRLHGAZDNRWSX-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB Cc1oncc1C(=O)N[C@@H](c1ccsc1)c1cccs1 390826174 DRZLKNKPBIVTNK-ZDUSSCGKSA-N 304.396 3.625 0 40 DHAB O=C(/C=C/c1cccs1)NC1(c2cccs2)CCOCC1 390828668 STOFDABDGKJPBM-AATRIKPKSA-N 319.451 3.645 0 40 DHAB COc1ccc([C@@H](NCc2ccccc2CO)C2CC2)c(F)c1 578313546 NKKBGJSJPHFISL-IBGZPJMESA-N 315.388 3.568 0 40 DHAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(F)cc1 131883 WHSNDMZLGJSPSF-UHFFFAOYSA-N 315.344 3.745 0 40 DHAB C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)CC1=O 501604 DZGGDIZVBUXUFO-RKDXNWHRSA-N 315.200 3.825 0 40 DHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)cc1F 3290678 ZFKRLHQKRBQRPA-LLVKDONJSA-N 318.779 3.869 0 40 DHAB O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1cccs1 3419288 DFLQOQBVKHBNJD-VMPITWQZSA-N 309.337 3.679 0 40 DHAB O=C(Nc1ccc(C(=O)c2ccncc2)cc1)c1ccc(F)cc1 3625367 WCQZGQVWKBKSHS-UHFFFAOYSA-N 320.323 3.704 0 40 DHAB O=C(C1CCCCC1)N1CCN=C1SCc1ccc(F)cc1 4119919 OAFDAARXRFVPDS-UHFFFAOYSA-N 320.433 3.837 0 40 DHAB COc1ccccc1-c1ccc(SCc2ccccn2)nn1 4271858 QJPXGOJQVCLJNL-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB Cc1ccc(C)c(C(=O)COC(=O)c2cc3ccccc3[nH]2)c1 5492363 BDZVWXMCYRGKGF-UHFFFAOYSA-N 307.349 3.824 0 40 DHAB C[C@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(F)cc1 5862151 RIGICEJRBHDBKF-LBPRGKRZSA-N 321.779 3.605 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 7056484 ATABXAPQTMXKFH-UHFFFAOYSA-N 319.426 3.794 0 40 DHAB Cc1cc(-c2nnc(CN3c4ccccc4C[C@H]3C)o2)c(C)o1 7114915 QQMPHPLOBODZGK-LLVKDONJSA-N 309.369 3.898 0 40 DHAB N=C(N)SCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 7715632 MDPYFDLAPHLMHN-OAHLLOKOSA-N 318.373 3.560 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 7928051 BORLGKQBPMABRH-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB COCCNCc1cc(Cl)ccc1OCc1ccccc1 8469119 RGUWNPWJCDVXSE-UHFFFAOYSA-N 305.805 3.655 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 8673435 NVTGHYQJWHPELQ-UHFFFAOYSA-N 324.355 3.987 0 40 DHAB O[C@H]1CCCc2c(OCc3nnc(-c4ccccc4)o3)cccc21 9337505 JLJWGMQBMHASTA-INIZCTEOSA-N 322.364 3.685 0 40 DHAB COc1ccccc1CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 9548537 NKXAOCSZSYODIO-UHFFFAOYSA-N 322.408 3.766 0 40 DHAB Cc1ccc(C)c(OCCSC2=N[C@H]3CCCC[C@@H]3N2)c1 9691501 MGQBPZIHPKNTFB-GJZGRUSLSA-N 304.459 3.686 0 40 DHAB Cc1ccc(SCCNC(=O)NCc2ccccc2C)cc1 9873507 KFGBHQQAAGYLMT-UHFFFAOYSA-N 314.454 3.895 0 40 DHAB COc1ccc2cc([C@H]3NC(=O)c4ccccc4N3)ccc2c1 12536735 DUDNAJSTCLELTC-GOSISDBHSA-N 304.349 3.703 0 40 DHAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 14171676 LDZIBXGPLKGDGR-JKSUJKDBSA-N 300.402 3.822 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2cccc3ncccc23)cc1 14791884 UFKQIRHCGPMBSO-FMIVXFBMSA-N 304.349 3.895 0 40 DHAB biogenic O=C1C[C@@H](c2ccc(F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15084819 YHTZQWDBKGAKNY-AWEZNQCLSA-N 322.343 3.767 0 40 DHAB COc1cccc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)c1 15356867 NGZWKWHCXZBCJL-LJQANCHMSA-N 323.392 3.778 0 40 DHAB COc1cc(C(=O)Nc2ccc(F)cc2C)cc(OC)c1C 22617329 BALAPJHHBNXDFM-UHFFFAOYSA-N 303.333 3.712 0 40 DHAB COc1ccc(CC(=O)N(C)c2nc3ccccc3s2)cc1 25062344 OUYBSNFITRTOPO-UHFFFAOYSA-N 312.394 3.510 0 40 DHAB CCC(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623049 DRGSAOAIWSGXRD-UHFFFAOYSA-N 311.316 3.891 0 40 DHAB O=C(NCc1ccccc1Cl)c1csc(-n2cccc2)n1 38490401 AWSNTPAFFXOHMU-UHFFFAOYSA-N 317.801 3.517 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)[C@@H]1CC(c2ccccc2)=NO1 40090208 SXWKCOCLSNSLEK-HNNXBMFYSA-N 318.735 3.611 0 40 DHAB O=C(NCc1csc(Br)c1)c1ccc(Cl)o1 40090947 IISRCPVQMOUQTI-UHFFFAOYSA-N 320.595 3.687 0 40 DHAB CCOC(=O)c1ccoc1CN(Cc1ccc(C)o1)C1CC1 40153599 LZPOGSJDOHZNGZ-UHFFFAOYSA-N 303.358 3.522 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Nc1ccc(F)cc1 40161221 FLXSKXIESSGQLQ-LSDHHAIUSA-N 314.404 3.764 0 40 DHAB CC(=O)c1csc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 44361158 RDHVDDBIJPPDAK-BDAKNGLRSA-N 320.336 3.653 0 40 DHAB Cc1ccc(CN(C(=O)c2sc(C)nc2C)C2CC2)cc1 45435339 UFZOQCBVXZBQDB-UHFFFAOYSA-N 300.427 3.873 0 40 DHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 48331734 UFYLLASLAFWIGI-HUUCEWRRSA-N 314.429 3.644 0 40 DHAB CCN(CC)CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1 48333588 XEXRANFHEIQQDO-HZPDHXFCSA-N 322.518 3.794 0 40 DHAB CCOc1cccc(CNC(=O)c2ccc3ncsc3c2)c1 48376866 GZSMLRVWTOWQQY-UHFFFAOYSA-N 312.394 3.625 0 40 DHAB Cc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1 49342664 BZSDGWYVQODRMR-UHFFFAOYSA-N 316.198 3.960 0 40 DHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccccc1 49466818 CYRZTMVTPZWDAG-XWIAVFTESA-N 323.392 3.850 0 40 DHAB CC[C@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccccc1OC 52748786 WMDTZEVSCMPJAQ-HNNXBMFYSA-N 315.417 3.528 0 40 DHAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 58009720 JSAOTFIQNYRVHD-LBPRGKRZSA-N 313.445 3.825 0 40 DHAB CC(C)c1ccc([C@@H](C)NC(=O)c2cc(N)nc(Cl)c2)cc1 58434558 SFMKPLDUEULHBV-LLVKDONJSA-N 317.820 3.932 0 40 DHAB CCCN(C(=O)CC)[C@H](c1ccc(F)cc1)c1cccnc1 72277509 AHXWCQCQZCQTME-GOSISDBHSA-N 300.377 3.959 0 40 DHAB Cc1nc(NC(=O)c2ncoc2C(C)C)ccc1Br 72512338 XNNVNMMFQIHLQY-UHFFFAOYSA-N 324.178 3.516 0 40 DHAB Clc1ccc(CNc2cc(-n3ccnc3)ncn2)c(Cl)c1 77165134 MQQVIJCTFDUJJY-UHFFFAOYSA-N 320.183 3.581 0 40 DHAB C[C@@H](S[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N(C)C 77398937 DLTNIZMZGCHTJJ-NXEZZACHSA-N 305.365 3.976 0 40 DHAB CCCCc1ccc(-n2nc(C)c(CCC(=O)O)c2C)cc1 85398120 SXLQSTXNRHWMLM-UHFFFAOYSA-N 300.402 3.849 0 40 DHAB CCn1nc(C)c(CNc2cccc(Cl)c2COC)c1C 92174384 IMKNEZIOKRCHPL-UHFFFAOYSA-N 307.825 3.932 0 40 DHAB COc1ccccc1C(=O)c1ccc(C)c(Br)c1 95917134 IXGJFTGLZWIZKV-UHFFFAOYSA-N 305.171 3.997 0 40 DHAB COc1csc(C(=O)N2CCCC[C@H]2CCOC(C)C)c1 96446304 DXHZQFQDTPICJO-ZDUSSCGKSA-N 311.447 3.567 0 40 DHAB C[C@@H](NCc1ccnc(SC(C)(C)C)c1)c1cnn(C)c1 97234054 IKHHBGOQRHWJSW-GFCCVEGCSA-N 304.463 3.557 0 40 DHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)s1 222858700 WNKYFAUPMAKSKT-CABCVRRESA-N 317.483 3.834 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)c1ccccc1 223110203 HCFKDOPILSBAPK-OAHLLOKOSA-N 309.409 3.996 0 40 DHAB Cc1ccc(C)c(CC(=O)NCCc2ccc(Cl)cc2)c1 224391288 VMWGPXRSDNEXMI-UHFFFAOYSA-N 301.817 3.858 0 40 DHAB CC[C@H](C)NC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 225211784 IAXXMSVBIPPFRK-VIFPVBQESA-N 322.455 3.773 0 40 DHAB CCOc1ccc(NC(=O)C(C)(C)Br)cc1Cl 225596018 MLFHTMRQDQVQNH-UHFFFAOYSA-N 320.614 3.851 0 40 DHAB CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1N 226267153 MWOJXPBAVSYHRH-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB Cc1nnc2sc(-c3ccc(OCc4ccccc4)cc3)nn12 226298494 JHXKKIYMPLGEDZ-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)n1 257268216 MKSLBRLPQXVHIK-HNNXBMFYSA-N 317.820 3.668 0 40 DHAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3nc(C)c[nH]3)coc2c1 257293805 QRFXIIQHLPYKCX-INIZCTEOSA-N 323.396 3.679 0 40 DHAB C=Cc1ccc(C(=O)[C@@H](Br)CBr)cc1 382681409 BJQVDCQWBHKZPC-JTQLQIEISA-N 318.008 3.671 0 40 DHAB Cc1csc2nc(SCCOc3ccccc3)nc(O)c12 408597880 ZYSTXPIJDVUYIG-UHFFFAOYSA-N 318.423 3.876 0 40 DHAB CCCc1sc(NC(C)=O)nc1-c1ccc(OC)c(OC)c1 408824756 HPHBFTNAPSIOQY-UHFFFAOYSA-N 320.414 3.738 0 40 DHAB CCOCc1ccc(-c2noc(C3(c4cccnc4)CC3)n2)cc1 566314096 CJSTWZAIUIQTGZ-UHFFFAOYSA-N 321.380 3.748 0 40 DHAB CO[C@@H](CNc1ncc(Cl)cn1)c1ccc(Cl)s1 1775996169 YHEMZPYVPFOKFJ-QMMMGPOBSA-N 304.202 3.645 0 40 DHAB Cc1ncnc(C(=O)NC(c2ccccc2)c2ccccc2)c1C 1888944406 QPLXXHWOGXRYFT-UHFFFAOYSA-N 317.392 3.613 0 40 DHAB COc1cc(C)ccc1N1C(=O)C[C@H]([C@H](C)c2ccccc2)C1=O 32297 MHGJUSXABUQKSX-GDBMZVCRSA-N 323.392 3.687 0 40 DHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(F)cc1 382681 YZBOYPNKQVGPHZ-UHFFFAOYSA-N 320.323 3.578 0 40 DHAB Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 532765 WQDWGCFECWBRRJ-UHFFFAOYSA-N 322.393 3.697 0 40 DHAB CCC(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 1274351 XIZWBMSQZBHGLV-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB COC(=O)CCSC(=O)Nc1cccc(C(F)(F)F)c1 1580512 ZBNSNABCOCGUAA-UHFFFAOYSA-N 307.293 3.534 0 40 DHAB ClC(Cl)(Cl)COCOCC(Cl)(Cl)Cl 1684615 BLYPGOSWAVQSHO-UHFFFAOYSA-N 310.819 3.718 0 40 DHAB O=C(OCCN1CCCC1)[C@H](c1ccccc1)[C@@H]1C=CCCC1 1712582 WBSQBCKCXJYLSQ-RTBURBONSA-N 313.441 3.766 0 40 DHAB Cc1ccc(OCc2nnc(S)n2-c2ccccc2)c(C)c1 2562151 UMFNLRLNZJNHGV-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB CCN(CCC(=O)Nc1ccccc1OC)Cc1ccccc1 2783983 OBWXQHQRCOZGFU-UHFFFAOYSA-N 312.413 3.546 0 40 DHAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 3365425 OQHBYHIPBIHGMM-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)cc1 4295220 ZMQBFGCMHBTLEU-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB CCCc1nc2ccccc2n1C[C@H](O)COCc1ccccc1 4535519 MUINDDGMPRTNRA-KRWDZBQOSA-N 324.424 3.567 0 40 DHAB CC(C)c1ccc2c(c1O)CC[C@@H]1C3=C(CC[C@]21C)C(=O)OC3 6257188 KPXIBWGPZSPABK-YLJYHZDGSA-N 312.409 3.983 0 40 DHAB biogenic CC[C@@H](C)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 6307063 BOPKAHUONIEPIW-ACJLOTCBSA-N 311.381 3.979 0 40 DHAB CC[C@@H](C)c1ccc(C(=O)CSc2nnc(N)s2)cc1 6609630 IYKRHAUKNBFNIB-SECBINFHSA-N 307.444 3.609 0 40 DHAB O=C(NCc1ccccc1CN1CCCCC1)C1CCCCC1 7849899 ZEDJRHFAMRFHGY-UHFFFAOYSA-N 314.473 3.869 0 40 DHAB CCc1nnc(NC(=O)c2cc(C3CC3)nc3ccccc23)s1 8157021 GDFIIFIFSLTTJG-UHFFFAOYSA-N 324.409 3.778 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 8753970 ZXQZRSVQRRSGJN-HNNXBMFYSA-N 306.409 3.848 0 40 DHAB biogenic C[C@H]1CN(c2nc(-c3ccccc3)c3ccccc3n2)C[C@H](C)O1 9260852 NZEJGHVOBBJWMQ-GJZGRUSLSA-N 319.408 3.910 0 40 DHAB O=C(CCc1nc2ccccc2s1)NCCc1ccccc1 9366719 PHAYKKPFVYFJKN-UHFFFAOYSA-N 310.422 3.588 0 40 DHAB CC[C@H](NC(=O)c1ccoc1)c1ccc(Br)cc1 9447250 NNDHIYVEVUQWLB-ZDUSSCGKSA-N 308.175 3.923 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1cccs1)O[C@H](C)C2 9454514 VRJDPCLSTKNKLD-SNVBAGLBSA-N 303.383 3.723 0 40 DHAB Cc1c(C2=NN=C(NC3CC3)SC2)sc2ccccc12 9575493 LNAQFOKXCXNTRA-UHFFFAOYSA-N 301.440 3.769 0 40 DHAB O=C(O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 12505658 DEZNAYPQPAPVCM-UHFFFAOYSA-N 324.180 3.608 0 40 DHAB COc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccccc2)cc1 12530335 PXQKFNGMODRZDE-AWEZNQCLSA-N 307.397 3.936 0 40 DHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1 13471675 HOUVPLOZMHLJPB-OKILXGFUSA-N 309.475 3.936 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)NC1CCC(C)CC1 14137871 ZMJJRXZDQAPNER-UHFFFAOYSA-N 315.442 3.822 0 40 DHAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(Cl)s1 14176318 NMAZMSJBEHXWOP-XFFZJAGNSA-N 307.733 3.885 0 40 DHAB Cc1cccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1 19236104 KMZRBTDOSUWXCE-IBGZPJMESA-N 314.404 3.710 0 40 DHAB Cc1cccc(CS(=O)(=O)N(C)Cc2ccc(Cl)cc2)c1 20047196 QMOUNZCFNXUWBU-UHFFFAOYSA-N 323.845 3.610 0 40 DHAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NC1CCCC1 22237620 SNUHSGIROANKBJ-UHFFFAOYSA-N 315.442 3.892 0 40 DHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 23636883 GIFRIDUGWWBZLE-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB Cc1nc(-c2ccc(N[C@H](C(N)=O)c3ccccc3)cc2)cs1 26225331 CWJSTHLCCWTQPN-KRWDZBQOSA-N 323.421 3.757 0 40 DHAB COc1ccc(S[C@H](C)C(=O)N(C)C2CCCCC2)cc1 30848688 NMXPQJHJMVSJIJ-CYBMUJFWSA-N 307.459 3.967 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 32738306 DXDXNAPNMUTYKY-ZIAGYGMSSA-N 323.396 3.516 0 40 DHAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 35476335 MNIDUKOIUHHKDE-INIZCTEOSA-N 309.365 3.701 0 40 DHAB COc1ccc(C)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 38849474 OPFBWWWDINSMAT-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB OC1=NC(=S)S/C1=C/c1cnn(-c2ccc(Cl)cc2)c1 44013035 NRXAIYMSWFXNLC-VZUCSPMQSA-N 321.814 3.855 0 40 DHAB COc1ccc(-c2n[nH]cc2CNCc2ccc(C)s2)cc1 44949402 MGQUNUMABHCSLA-UHFFFAOYSA-N 313.426 3.745 0 40 DHAB COc1ncccc1NC(=O)N1CCC[C@H]1c1cccs1 44953497 NVGRYNPJKPIFBX-LBPRGKRZSA-N 303.387 3.521 0 40 DHAB C[C@H](c1cc(F)ccc1F)N(C)Cc1nnsc1Cl 44975938 HLEHYWHIZDSIGD-SSDOTTSWSA-N 303.765 3.663 0 40 DHAB O=C(Nc1ccc(OC(F)F)cc1)c1c(O)cccc1Cl 48355538 OATCJFPVXYHSMV-UHFFFAOYSA-N 313.687 3.899 0 40 DHAB CCCn1cc(NC(=O)Nc2ccccc2Cl)ccc1=O 58064594 NFKTYAXPTQOFET-UHFFFAOYSA-N 305.765 3.556 0 40 DHAB Cc1cccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)c1 66587593 ZNWBPEOBUOINMQ-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB O=C(N[C@@H]1CCC[C@H]1n1ccnc1)c1ccc2ccccc2c1 71843154 HZMOIRFFGTTYLX-QZTJIDSGSA-N 305.381 3.560 0 40 DHAB C[C@H](NCc1csc(C2CCCC2)n1)[C@@H](C)n1cccn1 71882055 DQNWDYFYRREUEE-QWHCGFSZSA-N 304.463 3.737 0 40 DHAB Cc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@@H](C)O 71921848 OOTNGGYFWROZCW-CQSZACIVSA-N 316.376 3.549 0 40 DHAB Cc1sc2ncnc(N(C)Cc3nc4ccccc4[nH]3)c2c1C 73957053 QGZUGOOZVCSMLE-UHFFFAOYSA-N 323.425 3.821 0 40 DHAB Cc1ccc(N[C@@H](C)c2ccccc2)cc1NS(C)(=O)=O 76317212 HETLETSAWUQWPI-ZDUSSCGKSA-N 304.415 3.540 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)N(CCO)Cc1ccccc1 79641764 HWTOSKCUDYJOSQ-UHFFFAOYSA-N 322.767 3.506 0 40 DHAB Cc1sc2nc(CN(C)Cc3ccccc3)nc(N)c2c1C 95469772 ISGXYNJLBFDZEY-UHFFFAOYSA-N 312.442 3.522 0 40 DHAB C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1)[C@H](N)c1ccccc1 95965543 AGSKPWPTCXZGGR-IPELMVKDSA-N 308.425 3.686 0 40 DHAB CN(CC1CCOCC1)C(=O)N[C@@H]1CCCCc2ccccc21 95981529 FPKNYTHQJBRREI-GOSISDBHSA-N 316.445 3.522 0 40 DHAB CO[C@@H](CNC(=O)c1ccccc1SC)c1ccccc1C 96104961 ARRULXDADNDRAX-INIZCTEOSA-N 315.438 3.834 0 40 DHAB COc1ccccc1C(C)(C)NCc1ccc(NC(C)=O)cc1 96403977 MNAURQNLDRMTHG-UHFFFAOYSA-N 312.413 3.679 0 40 DHAB C[C@@H](NC(=O)NC(C1CC1)C1CC1)c1csc(C2CC2)n1 96405830 COCDMFZZXAAOJR-SECBINFHSA-N 305.447 3.569 0 40 DHAB C[C@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)[C@@H]1c1ccccc1 97099375 PAMWJHBAVDXRAD-LRDDRELGSA-N 308.385 3.579 0 40 DHAB CC(=O)Oc1ccccc1C(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104220780 AKEZUIBGEWITHJ-CRFBAAHOSA-N 316.397 3.984 0 40 DHAB C[C@@H](Cc1ccccc1F)Nc1cccc(C[S@](C)=O)c1 188419744 XDUFWSVMFPTERI-ZSEKCTLFSA-N 305.418 3.747 0 40 DHAB Brc1ccc(CN[C@@H](c2nccs2)C2CC2)o1 191207361 GYRPBINOUIZLPQ-LLVKDONJSA-N 313.220 3.740 0 40 DHAB O=C(Cc1ccsc1)N1CCS[C@H](c2ccccc2)CC1 206988403 NOCUAAQFZGOHGS-INIZCTEOSA-N 317.479 3.997 0 40 DHAB CC(C)Oc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 223963955 SJXICUKWYBMIFL-UHFFFAOYSA-N 317.816 3.986 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)/C=C/c2ccc(F)cc2)c1 223976912 UMNOFHHAIMGRKI-JXMROGBWSA-N 313.372 3.651 0 40 DHAB CC(C)N1CCC[C@@H](c2cnc(-c3ccnn3C(C)C)cn2)C1 257204290 ATWBDXHALCEUOL-OAHLLOKOSA-N 313.449 3.509 0 40 DHAB CCn1cc(C(=O)Nc2ccc(C)c(C)c2)c(=O)c2ccccc21 408713433 YPHHSLWVCCXNTP-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N1C[C@H]2CCC[C@@H]21 531623597 TXOTUKDLLXPXEU-PBHICJAKSA-N 322.412 3.766 0 40 DHAB C[C@]1(C(=O)N2CCC3(CCCN3CC3CC3)CC2)CC=CCC1 1142542945 ZXMAXSINDSALGH-IBGZPJMESA-N 316.489 3.600 0 40 DHAB CC(C)Cc1ncc(C(=O)Nc2snc3ncccc23)s1 1548453721 WMSZIXMWGIBOAW-UHFFFAOYSA-N 318.427 3.599 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)nc1 1775969522 WTQJAXQOXRHMKP-IYBDPMFKSA-N 300.402 3.582 0 40 DHAB COc1cccc(CC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c1 1776008552 LCSFEMSJUIGLDQ-ROUUACIJSA-N 311.425 3.728 0 40 DHAB Cc1cc(C)n(-c2nccnc2Sc2ccccc2F)n1 1888900866 ZUTXIUMFDZKMIM-UHFFFAOYSA-N 300.362 3.569 0 40 DHAB CCOC(=O)c1nc(Nc2ccccc2OC)c2ccccc2n1 145890 HOTKJHRKMKJZDO-UHFFFAOYSA-N 323.352 3.559 0 40 DHAB CCc1cccc(CC)c1NC(=O)/C(Cl)=C(\Cl)C(=O)O 162585 JDSFJBVJTZVNIT-ZHACJKMWSA-N 316.184 3.524 0 40 DHAB Cc1ccnc(SCC(=O)n2c(C)c(C)c3ccccc32)n1 200466 QGPDTWZUOKXTBY-UHFFFAOYSA-N 311.410 3.789 0 40 DHAB Cc1ccn(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1 241022 QGUDJZHCGYSSSX-UHFFFAOYSA-N 322.393 3.589 0 40 DHAB CCc1ccc2[nH]cc(C(=O)c3ccc(C)c(C)c3)c(=O)c2c1 248771 LABSXPQPPGNCNE-UHFFFAOYSA-N 305.377 3.938 0 40 DHAB Cc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1 529655 MVCRJTYRSKOGAB-UHFFFAOYSA-N 306.394 3.612 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccccc1 1002343 TUGJPBSNPZWSOS-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CC(=O)Nc1cc2c(c(NC(C)=O)c1C)C(C)(C)CC2(C)C 1747562 CHVPHZZXDXGZQP-UHFFFAOYSA-N 302.418 3.871 0 40 DHAB Cc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)oc2n1 2503969 FTMNWCNORUCWLR-UHFFFAOYSA-N 300.745 3.911 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 4501736 YOZDSCWINRTWBD-UHFFFAOYSA-N 323.348 3.834 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 5118088 ZFSMOVDILNULST-UHFFFAOYSA-N 315.344 3.745 0 40 DHAB C[C@H]1C=CCC(C)(C)[C@@H]1C(=O)C[C@@H](C)NCc1cccnc1 5249604 YOGMQUBAEAYSMA-DAYGRLMNSA-N 300.446 3.757 0 40 DHAB O=C(CCCSc1ccccc1)Nc1cccc(CO)c1 5938097 WKFBGGMXAQVDLY-UHFFFAOYSA-N 301.411 3.690 0 40 DHAB C[C@H](c1ccc(-n2cccc2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 6275523 ZAHJMIQFVVBMOU-OLMNPRSZSA-N 322.408 3.714 0 40 DHAB CC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1 6297256 LGLAQVSDDVTJSY-UHFFFAOYSA-N 302.374 3.515 0 40 DHAB CCCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C 6308731 FKVJAWNKSDNRRH-UHFFFAOYSA-N 313.426 3.901 0 40 DHAB Cc1ccc2cccc(OCC(=O)NC3CCCCCC3)c2n1 6865725 BYYWLRVJLWLOBE-UHFFFAOYSA-N 312.413 3.761 0 40 DHAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1Cl 6915203 FFKZALFWPGVKCA-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)N(C)Cc1ccccc1 7242366 AOYRQYYBXLLWLA-HNNXBMFYSA-N 308.425 3.634 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCSc2ccccc21 7814060 JYDWSBDJJDYAEP-CJNGLKHVSA-N 313.422 3.807 0 40 DHAB COc1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1OC 8493923 MLGMRDLJPLECSJ-UHFFFAOYSA-N 315.760 3.809 0 40 DHAB CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 8516865 FFCODTNWVFVHLF-KRWDZBQOSA-N 321.417 3.891 0 40 DHAB CC[C@H](CNC(=O)c1cccc(NC(C)=O)c1)c1ccccc1 9607150 ALMZHJLVQLHZFX-OAHLLOKOSA-N 310.397 3.569 0 40 DHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(N(C)C)c1 9919087 SNRAJGCHAQSOMY-CQSZACIVSA-N 312.413 3.561 0 40 DHAB Cc1nn2c(c1-c1ccccc1)NCN(Cc1ccccc1)C2 10385227 UTRJYDJSZGXMIO-UHFFFAOYSA-N 304.397 3.701 0 40 DHAB C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCO1 11454876 WKYLXKCKTCUFEP-LLVKDONJSA-N 321.829 3.929 0 40 DHAB c1ccc2nc(CSc3nnnn3C3CCCC3)ccc2c1 12516860 WRYPADXWGXUMKB-UHFFFAOYSA-N 311.414 3.629 0 40 DHAB C[C@@H](NC(=O)CN(C)Cc1ccccc1Cl)c1cccs1 12785414 JBVUKXRCGOHVFU-GFCCVEGCSA-N 322.861 3.711 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1Cl 12935214 VTPBCWWEFTUPCO-UHFFFAOYSA-N 311.715 3.944 0 40 DHAB Cc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C(=O)O 12937307 QIJNAFFFOOGYRF-LBPRGKRZSA-N 315.394 3.813 0 40 DHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(F)cc1 12977100 NYLPVALPGPIZDN-UHFFFAOYSA-N 311.356 3.916 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)O)cc1C 13390776 ADFSNRVAGTWZLE-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB COC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F 14198790 MHYRIOQSWVMYTI-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB CC(=O)c1csc(NC(=O)c2cccc(Cl)c2Cl)n1 18232980 VYLUWLCVGWIKIQ-UHFFFAOYSA-N 315.181 3.905 0 40 DHAB O=C(Cc1ccccc1Cl)N1CCc2[nH]c3ccccc3c2C1 20744667 PCQIVFUAZWQGAX-UHFFFAOYSA-N 324.811 3.949 0 40 DHAB CC(=O)NCc1ccc(-c2csc(Nc3ccccn3)n2)cc1 22421024 VREQDIAATNNRAU-UHFFFAOYSA-N 324.409 3.585 0 40 DHAB Cc1cc(NC(=O)OCC(F)(F)F)ccc1Br 32628827 BYUMTFVBLZLSDX-UHFFFAOYSA-N 312.085 3.868 0 40 DHAB in-vitro O=C(O)c1ccccc1SC[C@@H]1CCCN2CCCC[C@@H]12 33435708 FUSMGHBUCDVHPC-ZFWWWQNUSA-N 305.443 3.741 0 40 DHAB Cc1ccc(-c2nc(C(=O)NCCc3ccsc3)cs2)o1 40090323 KEBXGMBEALZFCF-UHFFFAOYSA-N 318.423 3.746 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 44106473 ICZCCWMCMNRIRH-SWLSCSKDSA-N 303.406 3.735 0 40 DHAB CC(C)C(=O)Nc1cccc(CNCc2cc(F)ccc2F)c1 48686336 GHMVDLPRSFZIQE-UHFFFAOYSA-N 318.367 3.849 0 40 DHAB COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1OC 49750482 AZINRUBPBMBELQ-UHFFFAOYSA-N 313.397 3.911 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(OC(C)C)cc1F 52265395 HCPFTDMAGNEIGD-ZDUSSCGKSA-N 324.396 3.503 0 40 DHAB COc1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1OC 56181536 NCWYIWKJZSXPRZ-LBPRGKRZSA-N 315.369 3.663 0 40 DHAB CCCCCNC(=O)C1CCN([C@@H](C)c2cccc(F)c2)CC1 56284265 PPUVVGUZHJIPEC-HNNXBMFYSA-N 320.452 3.905 0 40 DHAB Nc1ccccc1-c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 64874550 UDDMAKLOAYJECM-UHFFFAOYSA-N 304.275 3.740 0 40 DHAB CSc1cccc(NC(=O)N2CCc3ccc(O)cc3C2)c1 69507872 YOUXUMYORIKEPT-UHFFFAOYSA-N 314.410 3.704 0 40 DHAB CC(C)c1nnc(NC(=O)c2cc3cc(F)ccc3n2C)s1 72405238 MDZHBNBTOCQTTB-UHFFFAOYSA-N 318.377 3.545 0 40 DHAB Cc1ccc(N[C@H](C)c2ccccc2)cc1NS(C)(=O)=O 76317225 HETLETSAWUQWPI-CYBMUJFWSA-N 304.415 3.540 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5[nH]ncc5C[C@@]43C)[C@@H]1CCC2=O 77271589 DWNBEZNZHITBEX-IGVQRDAMSA-N 312.457 3.936 0 40 DHAB in-vitro Cc1ccccc1C(=O)c1ccc(CN2CCSCC2)cc1 85651216 YISMXVJEKUIPBF-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB Cc1cc2ncc([C@@H](C)NCCSC(C)(C)C)c(C)n2n1 89516575 DJBRNYMSBKZIPB-GFCCVEGCSA-N 306.479 3.528 0 40 DHAB C[S@@](=O)c1ccc(CN[C@@H]2CCCc3sccc32)cc1 90220866 PUGUABGYFUOGDQ-QRWLVFNGSA-N 305.468 3.653 0 40 DHAB CCc1c(C(=O)N(C2CCCC2)C2CC2)[nH]c(C)c1C(C)=O 95364784 GEENJXBUJMANAX-UHFFFAOYSA-N 302.418 3.635 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)C12CC3CC(CC(C3)C1)C2 95947423 GZJNRZFSIIWJRW-UHFFFAOYSA-N 302.443 3.787 0 40 DHAB C[C@H](c1ccncc1)N1CCC(CN2CCc3ccccc32)CC1 95957595 JZNOIMYYVJHBNU-QGZVFWFLSA-N 321.468 3.917 0 40 DHAB Cc1cc(C(=O)N(C)C2CC2)ccc1NC(=O)OC(C)(C)C 95972191 JKKVAVOHRPGNIE-UHFFFAOYSA-N 304.390 3.576 0 40 DHAB C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccc([S@@](C)=O)cc1 95991430 FPPSDWMBNHPRFV-DMZKTXOQSA-N 317.429 3.903 0 40 DHAB CC[C@](CNC(=O)/C=C/c1ccsc1)(OC)c1ccccc1 96123731 GNPNQZKADJOYDW-QZEKMECESA-N 315.438 3.829 0 40 DHAB O=C(NCc1ccco1)c1ccc(Oc2cccc(F)c2)o1 96183909 HIIZANXSRYRSHK-UHFFFAOYSA-N 301.273 3.734 0 40 DHAB Cc1ccc(CNCc2csc(-c3cccs3)n2)cn1 96403966 AKOZYSKFEWUBJN-UHFFFAOYSA-N 301.440 3.865 0 40 DHAB O=C(C[C@H]1CCCO1)Nc1ccccc1CCC(F)(F)F 96462309 AELPNXLKFIAHHV-GFCCVEGCSA-N 301.308 3.689 0 40 DHAB CC(C)n1cc([C@H](C)Nc2cccc(Cn3cccn3)c2)cn1 97037357 CNOQNUKBZKENLR-HNNXBMFYSA-N 309.417 3.882 0 40 DHAB O=C(Nc1cccc(F)c1)c1cnn(-c2ccccc2)c1Cl 98086728 OARQICQFVZRYIV-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(F)cc2)cc1 113968819 PNMJVJUJVRGEPO-SFHVURJKSA-N 315.388 3.862 0 40 DHAB C[C@@H](C[C@H](O)c1ccco1)NC1CCC(C(F)(F)F)CC1 123475816 WIVIAKIZNNRZAZ-WTIISPKJSA-N 305.340 3.802 0 40 DHAB CCOC(=O)Cc1csc(Nc2cc(Cl)ccc2C)n1 133836025 HSJWPCRSEMCZKG-UHFFFAOYSA-N 310.806 3.954 0 40 DHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCc1ccccc1 222943959 RHUKUDSWXCPBPO-SFHVURJKSA-N 311.425 3.820 0 40 DHAB Cc1ccccc1COC(=O)c1snnc1-c1ccccc1 223834382 AZMYRUFYSKRGHZ-UHFFFAOYSA-N 310.378 3.871 0 40 DHAB Nc1cc(C(=O)NC2CC2)ccc1Nc1ccc(Cl)cc1 225423947 KJYWUCBNZPDKGE-UHFFFAOYSA-N 301.777 3.558 0 40 DHAB COc1cccc(CCCNC(=S)Nc2ccc(F)cc2)c1 225553089 UJWNUEIHMOJTAV-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCO[C@H](c2ccncc2)C1 257325254 WSCTYJKVRDOQFS-HNNXBMFYSA-N 324.405 3.510 0 40 DHAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc3ccccc3s2)n1 257341953 ZMOBLNWHFLMLSG-CYBMUJFWSA-N 311.410 3.910 0 40 DHAB c1cnnc(Oc2ccc(NCc3noc(C4CCC4)n3)cc2)c1 629201777 RNKLBAUQPSRPLI-UHFFFAOYSA-N 323.356 3.532 0 40 DHAB Cc1cc(N)n(-c2nc(C)nc3sc4c(c23)CC[C@H](C)C4)c1 90075 DMEAPKFMVIBLRO-VIFPVBQESA-N 312.442 3.806 0 40 DHAB O=S(=O)(NC1CCCCC1)c1ccc(-c2ccccc2)cc1 235801 HGECXMLEAWCDGP-UHFFFAOYSA-N 315.438 3.965 0 40 DHAB COc1cccc2c(Nc3ccccc3C(=O)O)cc(C)nc12 1279586 QNFPPJUWSSDZIO-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB C[C@H](COc1ccc(Cl)cc1)OC(=O)Cc1ccccc1 1583812 QTIFCYQKRFOZPW-CYBMUJFWSA-N 304.773 3.893 0 40 DHAB CCCCNC(=O)Nc1cccc(NC(=O)NCCCC)c1 1627367 LNUQBQVIWFFBHT-UHFFFAOYSA-N 306.410 3.530 0 40 DHAB Cc1ccc(C)c(CSc2nnc(-c3ccncc3)n2C)c1 2450010 CMHGKRWJSKFZHD-UHFFFAOYSA-N 310.426 3.786 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 2774420 LPSYBSXWCLSWJC-CVEARBPZSA-N 309.365 3.606 0 40 DHAB Cc1cccc(/C=C/c2nn3c(-c4ccco4)nnc3s2)c1 4538929 WYIGDHLIKQACJW-BQYQJAHWSA-N 308.366 3.925 0 40 DHAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccs2)N3)C1 4543282 LKIYLPRCLFRHAG-AMIZOPFISA-N 304.440 3.789 0 40 DHAB CSc1nc(C)c(CCC(=O)Nc2ccc(C)cc2)c(C)n1 5403707 NOIYAEBOHGJTLU-UHFFFAOYSA-N 315.442 3.695 0 40 DHAB O=C(Nc1ccccc1OC(F)F)C1(c2ccccc2)CC1 6949309 HLSDBGHOYDWIOL-UHFFFAOYSA-N 303.308 3.958 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1F 8041356 WDZZGIREWHPYSZ-AWEZNQCLSA-N 303.333 3.630 0 40 DHAB CCC[C@H](CC(=O)N[C@H]1CCCc2ccccc21)n1ccnc1 9467117 CNAKWJOKFULJSJ-AEFFLSMTSA-N 311.429 3.808 0 40 DHAB Cc1ccc(/N=c2\scc(-c3cccs3)n2CCO)cc1 10187284 FXGDHOAJXOIYNI-MSUUIHNZSA-N 316.451 3.811 0 40 DHAB Sc1nnc(COc2ccccc2Cl)n1C1CCCC1 11692618 OMVXVOICPIPNHV-UHFFFAOYSA-N 309.822 3.914 0 40 DHAB O=C(c1ccncc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188062 UEFYMHAYHBZGNV-GOSISDBHSA-N 317.392 3.650 0 40 DHAB O=C(O)CSc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 12346775 MINUADKIDYBZKW-UHFFFAOYSA-N 321.785 3.769 0 40 DHAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(F)cc1F 12777011 SDCWZPXRYHFKKN-UHFFFAOYSA-N 320.320 3.611 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 13938197 RFIGFAZCINTOJE-INIZCTEOSA-N 317.454 3.960 0 40 DHAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(F)cc1)CC3 15842005 LSYJWOMCVCOSBQ-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB CCCCCS[C@H]1CS(=O)(=O)C[C@H]1SCCCCC 16037477 SOBODQNMRFOUGE-OKILXGFUSA-N 324.577 3.999 0 40 DHAB COc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 16301197 DBOCULMGOYDREA-UHFFFAOYSA-N 323.314 3.573 0 40 DHAB Cc1nn(C)cc1-c1cc(C(=O)Nc2ccccc2C2CC2)on1 19584115 KTBHGXUFWBPMER-UHFFFAOYSA-N 322.368 3.513 0 40 DHAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2)cc1OC 19933217 WUYWBRYPYAZVTF-TZIYXEQSSA-N 311.381 3.594 0 40 DHAB CCC(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610531 GELWJPZAVPOKOI-UHFFFAOYSA-N 308.385 3.892 0 40 DHAB OC1=Nc2n[nH]cc2[C@@H](c2ccccc2Br)SC1 20728092 WJHSXKCODQJRGS-LLVKDONJSA-N 324.203 3.596 0 40 DHAB CCc1cc(O[C@H](CC)C(=O)Nc2cc(C)on2)ccc1Cl 21842124 LDVSWNZSJIHPJX-CQSZACIVSA-N 322.792 3.995 0 40 DHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(C3CC3)on2)n1 25014415 HDUZGBMNOAICCB-UHFFFAOYSA-N 322.368 3.607 0 40 DHAB CC(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C)cc2C)c1 28577644 DZKQPDYFDORIEW-UHFFFAOYSA-N 317.410 3.615 0 40 DHAB Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2c1 29550914 WMMFMGAOEZUWAR-GFCCVEGCSA-N 310.319 3.891 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N(C2CC2)[C@H](C)C2CC2)c1C 30337031 PNTLRIILNFYJBE-OAHLLOKOSA-N 321.486 3.872 0 40 DHAB CC(C)(C)CCNC(=O)c1cc2c(nc3sccn32)s1 31759151 INEYSXOCUHNOFM-UHFFFAOYSA-N 307.444 3.777 0 40 DHAB Nc1nc2c(s1)[C@@H](c1cccc(Br)c1)CC(O)=N2 32090704 HZKUBEKJYCYOOQ-MRVPVSSYSA-N 324.203 3.611 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 32645844 GMOZCCJXSZPVSC-SMDDNHRTSA-N 312.344 3.673 0 40 DHAB Cc1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)nc1 32914192 KCKIQEBILQDFRD-UHFFFAOYSA-N 323.421 3.998 0 40 DHAB Cc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1O 32967389 AQJNIUQSVJIMET-UHFFFAOYSA-N 319.788 3.505 0 40 DHAB CC(C)(C)CC(=O)NCc1ccc(OCc2cccnc2)cc1 36392777 ZQEKZLRJIBSMAO-UHFFFAOYSA-N 312.413 3.713 0 40 DHAB Cc1cc(C)cc(OCC(=O)N(C)Cc2ccc(Cl)cc2)c1 38757243 BYCVWJHDPGCFQP-UHFFFAOYSA-N 317.816 3.994 0 40 DHAB Cc1cccc(-c2nc(CN3CCc4sccc4C3)no2)c1 40088696 GAQDOVYGRWNDOY-UHFFFAOYSA-N 311.410 3.665 0 40 DHAB CCc1nc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)sc1C 44732464 IZNOJHRANGPNEP-CYBMUJFWSA-N 322.817 3.610 0 40 DHAB Cc1cccc(C(=O)OCc2nc(-c3cccc(F)c3)no2)c1 51315134 VRCDMIDYRWQQKK-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB COc1ccc(-c2nc(O)c3oc(-c4ccccc4)nc3n2)cc1 53993887 HXRROPDBVGGHTO-UHFFFAOYSA-N 319.320 3.666 0 40 DHAB Cc1ccc(OCCCCNC(=O)c2scnc2Cl)cc1 54079573 GQKRNIFMBPMFON-UHFFFAOYSA-N 324.833 3.694 0 40 DHAB COc1ccc2[nH]cc(C3CCN(C(=O)C4CCC4)CC3)c2c1 55680318 WPMCWJDDDAUTTM-UHFFFAOYSA-N 312.413 3.683 0 40 DHAB CCN(CC)c1ccc(C(=O)N[C@@H](C)c2ccccc2C)cn1 58136514 RXROHHHXKBYMLQ-HNNXBMFYSA-N 311.429 3.727 0 40 DHAB O=C(NC1CCCCCCC1)[C@@H](c1ccccc1)n1cccn1 58415869 QLDWQOVWFQEUHM-GOSISDBHSA-N 311.429 3.702 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OC 59351094 HCAMDSIDFYDWLO-CQSZACIVSA-N 313.397 3.812 0 40 DHAB O=C(/C=C/c1cccc(Br)c1)Nc1ccc(O)cc1 62715369 LSOQAWNDFNPTHW-RUDMXATFSA-N 318.170 3.807 0 40 DHAB O=C(Nc1cccc2ccccc12)N1CCC(c2ncc[nH]2)CC1 63990978 DVJZDAIGYGWXDO-UHFFFAOYSA-N 320.396 3.974 0 40 DHAB CSc1nnc(CN2CCC[C@@H]2CCc2ccccc2)s1 65950924 CCTUSPHDFQGYBF-CQSZACIVSA-N 319.499 3.857 0 40 DHAB CCN(Cc1csc(-c2ccccc2F)n1)C[C@H]1CCOC1 69595341 LEMFZXKIVUNZNJ-CYBMUJFWSA-N 320.433 3.808 0 40 DHAB CCc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 72328208 PRSVPLJDSFMXSW-UHFFFAOYSA-N 323.371 3.708 0 40 DHAB Cc1nc2ccccc2nc1SCc1nccn1C(F)F 73955301 HOPOTHTUCBYZGM-UHFFFAOYSA-N 306.341 3.822 0 40 DHAB C[C@@H](NC(=O)N(C)CC1CCC1)c1ccc(-c2cncnc2)cc1 74940719 ADWOHDILBRZCHI-CQSZACIVSA-N 324.428 3.646 0 40 DHAB CC(C)[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 79070390 MSPCQCUBYVRXMG-CYBMUJFWSA-N 317.820 3.644 0 40 DHAB CC(=O)c1c(F)cccc1NCc1ccc(Cn2ccnc2)cc1 80948899 ZRVSSFWDXJDFEB-UHFFFAOYSA-N 323.371 3.885 0 40 DHAB COCc1ccccc1NCc1nccn1Cc1ccccc1 83914829 XHPUJKBUQPDVPW-UHFFFAOYSA-N 307.397 3.690 0 40 DHAB CCn1c([C@H](CC(C)C)NC(=O)c2cccs2)n[nH]c1=S 85400213 RDNBIWZPCYRZLJ-JTQLQIEISA-N 324.475 3.539 0 40 DHAB Cc1occc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 91059288 WNMUIRJJZDXGGB-GJZGRUSLSA-N 323.751 3.641 0 40 DHAB O=C(c1ccc(Cl)cn1)N1CCCc2c(F)cc(F)cc21 95398754 MEXSSZQOWKPAEM-UHFFFAOYSA-N 308.715 3.606 0 40 DHAB C[C@@H](NCc1ccccc1OCCO)c1ccc(Cl)cc1 95423119 ACXANRNFUZOSLQ-CYBMUJFWSA-N 305.805 3.562 0 40 DHAB FC(F)(F)c1ccnc2c(I)cccc12 95470326 UKUOBBUMVLGNCG-UHFFFAOYSA-N 323.055 3.858 0 40 DHAB Cc1cc([C@@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c(C)s1 95968567 GIEMTTHYQUQLEW-CMPLNLGQSA-N 305.491 3.997 0 40 DHAB COc1cc(NC(C)=O)ccc1N[C@@H](C)c1cnn(C(C)C)c1 97038391 PABKDVBQOHVKCT-LBPRGKRZSA-N 316.405 3.604 0 40 DHAB COC(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 98174969 FNJDWHMLKVGQGU-UHFFFAOYSA-N 300.198 3.830 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 108869705 CFAOEUQRNMPLNQ-ZOBORPQBSA-N 307.821 3.660 0 40 DHAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)[C@@H](O)[C@@]4(C)CC[C@@H]32)C1 118931556 FTVVRNPVTQSSQO-GRHCOXQNSA-N 318.457 3.504 0 40 DHAB FC(F)(F)C1CCN(c2ccncc2Br)CC1 164072288 VJHOYNKNNHUJCH-UHFFFAOYSA-N 309.129 3.623 0 40 DHAB CC(C)(C)SCCNC(=S)Nc1ccc(F)c(F)c1 225351359 OKDWZZFJZAUBSX-UHFFFAOYSA-N 304.431 3.783 0 40 DHAB CC1(C)COc2ccc(C(=O)NC3CCCCC3)cc2OC1 225358076 WXKBFFWXWBBKNR-UHFFFAOYSA-N 303.402 3.547 0 40 DHAB COc1ccccc1CCCNC(=O)Cc1ccccc1Cl 225439039 DXTPCPXHNKMDEG-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB COc1ccc(C(=O)NCCSC2CCCC2)cc1Cl 225728547 QOCRNGXWHIBJMG-UHFFFAOYSA-N 313.850 3.754 0 40 DHAB Cc1cc(/C=C/C(=O)O)cc(C)c1OC(=O)c1ccc(F)cc1 256051544 JOSRITGQKLRNKM-FPYGCLRLSA-N 314.312 3.760 0 40 DHAB COc1cccc(C(=O)NCCSCc2ccccc2C)c1 409023990 GJGWQCDHUWMYAQ-UHFFFAOYSA-N 315.438 3.667 0 40 DHAB COC(=O)c1ccc(CSc2ccccc2NC(C)=O)cc1 409178670 NRNQOMVAQOCCFA-UHFFFAOYSA-N 315.394 3.724 0 40 DHAB O=C(NCC[C@@H]1CCCOC1)N1CCC[C@@H]1CC1CCCC1 528096552 JAVXATQQZQVFCT-DLBZAZTESA-N 308.466 3.557 0 40 DHAB CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(Cl)o2)ccn1 585125274 MIIRNWVAOCRJEW-UHFFFAOYSA-N 322.748 3.536 0 40 DHAB CC(=O)c1c(C)n(-c2ccc(N(C)C)cc2)c2ccc(O)cc12 126492 HWSYVNMDBAVEJG-UHFFFAOYSA-N 308.381 3.913 0 40 DHAB FC(F)(F)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 164364 HNKFLSVKRDEXDX-UHFFFAOYSA-N 309.078 3.941 0 40 DHAB COc1cc2c(cc1O)-c1nnc(-c3ccccc3)n1C(C)(C)C2 210922 IQVVADIDURKRBO-UHFFFAOYSA-N 321.380 3.618 0 40 DHAB Cc1cc(S(=O)(=O)n2ccnc2C(C)C)c(C)cc1Cl 384708 BBUIWUICSZCRJL-UHFFFAOYSA-N 312.822 3.514 0 40 DHAB Fc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1 385304 CDVKGLYFLXDKCS-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB Oc1ccccc1Oc1c(F)c(F)nc(N2CCCC2)c1F 552743 SADSOCDJWLWQQJ-UHFFFAOYSA-N 310.275 3.597 0 40 DHAB COc1ccc(Nc2cc(-c3ccccc3)ncn2)c(OC)c1 1286898 NHQWGJHYZIXMLX-UHFFFAOYSA-N 307.353 3.904 0 40 DHAB Cc1ccccc1CSCC(=O)Nc1ccc2c(c1)OCO2 3380453 OYAMFYMXWRWDJQ-UHFFFAOYSA-N 315.394 3.596 0 40 DHAB Cc1cccc(-c2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)c1 5164967 BJYGGWLCIFIWNO-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB Cc1ccc(-c2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 5197505 AOUHQOWTRHZMJO-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1cc(C)ccc1C 5510914 LTQITDBLHRNVIG-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(Cl)c1 5632656 GVYDJKNKDHKVCE-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB Cc1cc(NC(=O)C2CCCCC2)n(-c2nc3ccccc3[nH]2)n1 6025189 CTPFURWBGHTXHN-UHFFFAOYSA-N 323.400 3.576 0 40 DHAB COc1ccc(NC(=S)N(C)Cc2ccc(Cl)nc2)cc1 6027107 SVPILQJXQNPOLI-UHFFFAOYSA-N 321.833 3.572 0 40 DHAB CCNc1nnc(SCc2cc(Cl)ccc2OC)s1 7248869 QBDBTISYGLDIPU-UHFFFAOYSA-N 315.851 3.924 0 40 DHAB S=C(NCCSc1ccc(Cl)cc1)Nc1cccnc1 7369870 ZRZWCOHWNRJPLQ-UHFFFAOYSA-N 323.874 3.814 0 40 DHAB Cn1c(SCc2nc3ccccc3o2)nnc1-c1ccccc1 8541345 DOFZBWCQIPPXQB-UHFFFAOYSA-N 322.393 3.916 0 40 DHAB NC(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccc(F)cc1 8748413 ABLZDMMLALPSDB-CYBMUJFWSA-N 314.143 3.738 0 40 DHAB FC(F)Oc1ccc(CNc2ncnc3ccsc23)cc1 9054386 FMIDASFUEBKJAT-UHFFFAOYSA-N 307.325 3.905 0 40 DHAB Cc1cccc(CSc2nc(O)c3c(C)cc(C)nc3n2)c1 9432039 TVLAVNJEMPBEDP-UHFFFAOYSA-N 311.410 3.948 0 40 DHAB COc1ccc(SCCC(=O)Nc2ncccc2C)cc1 9834569 XDRANTYTXFZEHA-UHFFFAOYSA-N 302.399 3.520 0 40 DHAB COc1cccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)c1 12563462 GKWAMJLOTBUUQF-CYBMUJFWSA-N 321.380 3.696 0 40 DHAB O=C(CCC(=O)c1ccccc1)Nc1nc2ccccc2s1 13003085 YKXYTWIYEUFIAB-UHFFFAOYSA-N 310.378 3.898 0 40 DHAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C(C)C 13769580 XQBKUENCSYFTIH-UHFFFAOYSA-N 314.429 3.621 0 40 DHAB Brc1ccc2cc(OC[C@@H]3CCCNC3)ccc2c1 14631298 IQIPUZDCZQVKGC-GFCCVEGCSA-N 320.230 3.981 0 40 DHAB in-vitro Cc1onc(-c2ccccc2Cl)c1[C@@H](O)NCc1ccco1 16249561 ZTPFXTZWGLGSQC-MRXNPFEDSA-N 318.760 3.677 0 40 DHAB Cc1cccc(OCC(=O)N[C@H](C)CCc2ccccc2)c1C 17155547 FZIZLOFTTHNRES-MRXNPFEDSA-N 311.425 3.820 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20138804 DVOKJCJAJCVVCT-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 20450441 QRTFIFKONLVWBX-AWEZNQCLSA-N 315.438 3.973 0 40 DHAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3F)n2)cc1 27662436 DDQASKREVQWGJC-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O=C(NCc1cccc(C(F)(F)F)c1)NC(C1CC1)C1CC1 29316874 HLDJEGCJASFYLE-UHFFFAOYSA-N 312.335 3.693 0 40 DHAB COc1ccc(/C=C/c2nc(C)nc(-c3ccccc3O)n2)cc1 30781698 ZAQIJRYDBOLWCY-FMIVXFBMSA-N 319.364 3.732 0 40 DHAB CCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1ccnn1C 31876982 UKYYZSDDDWPKDK-VQHVLOKHSA-N 317.820 3.850 0 40 DHAB O=C(COC(c1ccccc1)c1ccccc1)Nc1ccncc1 32725967 RNCWVIXLNQWOAT-UHFFFAOYSA-N 318.376 3.826 0 40 DHAB COc1ccc(NC(=O)CSC[C@H]2CC2(Cl)Cl)cc1 32772156 VBYHXYICZSUAQN-SECBINFHSA-N 320.241 3.561 0 40 DHAB COc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C)cc1F 35269005 ZFMDRZKMMTYRLS-TYNCELHUSA-N 308.397 3.773 0 40 DHAB Cc1ccc(CNC(=O)c2cnn(-c3ccccc3F)c2C)cc1 40047135 APYXELOYEOVQNQ-UHFFFAOYSA-N 323.371 3.558 0 40 DHAB Cc1noc([C@@H]2CCCCN2C(=O)CCC2CCCCC2)n1 41123292 UBSHVTVDLDTSEG-HNNXBMFYSA-N 305.422 3.792 0 40 DHAB CC(=O)Oc1ccc(C(=O)c2cccc(Br)c2)cc1 43209924 RTEQVISIZXTINW-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB Cc1ccc(C)n1CCCC(=O)Nc1cccc2nsnc12 49031033 WDEFXBCJDLFGFY-UHFFFAOYSA-N 314.414 3.529 0 40 DHAB CCCc1nc(-n2cccc2)sc1C(=O)NC1CCCC1 49546026 DCCUVLWOSKJGSW-UHFFFAOYSA-N 303.431 3.559 0 40 DHAB CN(Cc1cc(=O)n2ccccc2n1)c1ccc(C(C)(C)C)cc1 59932233 VGRSZHDRIKBXRL-UHFFFAOYSA-N 321.424 3.628 0 40 DHAB Cc1ccccc1COc1ccc(CO)cc1Br 62703417 SZJHQSJXQYPWDQ-UHFFFAOYSA-N 307.187 3.829 0 40 DHAB Cc1ccccc1CC(=O)O[C@@H](c1cccnc1)C(F)(F)F 69777353 LAEFYUUEJKGVTO-HNNXBMFYSA-N 309.287 3.779 0 40 DHAB CC(C)(C)c1cnc(CNC(C)(C)c2ccc3c(c2)OCO3)o1 69808389 GDBSQMPWDMSVEQ-UHFFFAOYSA-N 316.401 3.726 0 40 DHAB O=C(Nc1cccc(-c2ccsc2)c1)N1CCC(CO)CC1 70037248 MWQNHJQMIXQBTM-UHFFFAOYSA-N 316.426 3.651 0 40 DHAB CC(C)(C)OC(=O)N(c1ccc(C2=NCCCC2)cn1)C1CC1 72215333 DTAMJWVOSBABSI-UHFFFAOYSA-N 315.417 3.959 0 40 DHAB CC(C)(C)OC(=O)N(c1ncccc1C1=NCCC1)C1CCC1 72215483 TVHOXIAVNQSNSH-UHFFFAOYSA-N 315.417 3.959 0 40 DHAB O=C(NCC[C@@H](O)c1ccccc1)Nc1ccccc1Cl 75536012 KGANPMYMWGAGAQ-OAHLLOKOSA-N 304.777 3.585 0 40 DHAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCc2cscn2)cc1 76996367 DNHCLYRTCLDGSS-SJORKVTESA-N 314.454 3.729 0 40 DHAB O=C(CC[C@H]1CCCO1)N[C@H](c1ccc(F)cc1)C(F)(F)F 96411064 HGTUXKZZRJNRHC-TZMCWYRMSA-N 319.298 3.505 0 40 DHAB Cc1ccc([C@@H]2CCCCCN2C(=O)CCCn2cccn2)o1 96414197 UKFMDWXUEOFPMQ-INIZCTEOSA-N 315.417 3.709 0 40 DHAB CC(C)(C)OC(=O)N1CCC(N)(Cc2ccccc2Cl)CC1 98213813 MKPAJGMYYUKJDE-UHFFFAOYSA-N 324.852 3.611 0 40 DHAB Cc1nccn1C[C@H](C)CN[C@H]1CCC[C@H](C(F)(F)F)C1 129715831 UXPVCZLLUGMTLH-XBFCOCLRSA-N 303.372 3.538 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCc2ccccc2)c1 219067110 RDKLYSCCJBKGBX-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)Cc1ccccc1 223766711 KDJBPWHSIRSAOC-AWEZNQCLSA-N 315.388 3.731 0 40 DHAB CCN(c1ccccc1Cl)S(=O)(=O)c1cccs1 225122379 WMODKOIOIVRJLL-UHFFFAOYSA-N 301.820 3.617 0 40 DHAB CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCCCCC2)cc1 225222651 UEZREFWQDOYHMG-MRXNPFEDSA-N 302.462 3.837 0 40 DHAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1cccc(F)c1 225248764 IQOPRQZGEVCPBT-OQLLNIDSSA-N 318.373 3.618 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2F)cc1 225640472 GOMVTHKGSYHBJJ-ZDUSSCGKSA-N 318.417 3.888 0 40 DHAB CC(C)N(C[C@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(C)C 245229073 MPYNMCRQCDYTCP-SFNKJDCFSA-N 311.510 3.698 0 40 DHAB CC(C)N(C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)C(C)C 245229476 YTCOFICLLIPGED-FAJBIJEISA-N 311.510 3.698 0 40 DHAB Cc1cnc([C@H]2CCCN(C(=O)CCc3cccs3)C2)s1 257267661 MIGQUCLRHCPUEQ-ZDUSSCGKSA-N 320.483 3.852 0 40 DHAB O=C(CCc1cccs1)N1CCC[C@@H]1CCc1ccncc1 257295060 QWUZWGBBQIFJBF-MRXNPFEDSA-N 314.454 3.700 0 40 DHAB O=C(O)c1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 409200412 LETCMNYMFOPAKA-UHFFFAOYSA-N 314.381 3.644 0 40 DHAB COCCCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 409235756 QITBTFTVCDFKJC-RVDMUPIBSA-N 319.426 3.883 0 40 DHAB CCc1nc(CN(C)[C@H](C(=O)O)c2cccc(Cl)c2)cs1 574816493 MEVIIENCPBILPW-AWEZNQCLSA-N 324.833 3.617 0 40 DHAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1cccs1 618256671 LGEDSXJUGORWNN-LBPRGKRZSA-N 303.408 3.965 0 40 DHAB COc1cc(I)c(C2CC2)cc1Cl 1535642728 YSRPIOLXQPWLQO-UHFFFAOYSA-N 308.546 3.831 0 40 DHAB Cc1ccccc1N(Cc1ccc(Cl)cc1)S(C)(=O)=O 581149 MIZNSSWNUOMKDB-UHFFFAOYSA-N 309.818 3.615 0 40 DHAB Cc1cccc(-c2nnc3sc(Cc4ccccc4F)nn23)c1 1018258 MKQNMELQZJQAOO-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB O=C(C[C@@H]1CCC[C@H]1C(=O)O)c1ccc(Br)cc1 2574433 MPWKHQPBFZKBHK-CMPLNLGQSA-N 311.175 3.523 0 40 DHAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1C 3340267 FAGKVPLXIXBAAC-UHFFFAOYSA-N 300.383 3.841 0 40 DHAB Cc1ccc(C)c(C(=O)CCC(=O)NCC2CCCCC2)c1 3434140 FVOABXYGOTZUTM-UHFFFAOYSA-N 301.430 3.963 0 40 DHAB COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 4472968 DNNZJYHHKRFMKW-UHFFFAOYSA-N 312.369 3.542 0 40 DHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3[nH]2)[C@@H]1C 4830174 TZFRQNIHXODFHA-JHJVBQTASA-N 317.458 3.596 0 40 DHAB CCc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)cc1 4894853 VATBPWSZQKLHPW-UHFFFAOYSA-N 323.421 3.805 0 40 DHAB CCOC(=O)NCCn1c2ccccc2c2c(C)cc(C)nc21 5274364 PIKFFIZGJLMXPN-UHFFFAOYSA-N 311.385 3.552 0 40 DHAB O=C(Cc1ccccc1F)Nc1cccc(Br)c1 5558305 YCKBYKZNIGUKFQ-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB COc1cc(NC(=O)c2ccc3ccccc3n2)cc(OC)c1 5681875 XQXZQDGPONFLJR-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB CSc1nc2ccccc2c(=O)n1CCCc1ccccc1 7352783 NCCIZOFJNKMUOB-UHFFFAOYSA-N 310.422 3.751 0 40 DHAB Cc1cccc(OCCOC(=O)c2cn(C)c3ccccc23)c1 7702693 LTTHNVARUYGNEH-UHFFFAOYSA-N 309.365 3.723 0 40 DHAB COc1cc(C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 7990140 FMZOTYSEMSPXHK-UHFFFAOYSA-N 313.397 3.946 0 40 DHAB Cc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 8116293 CKDPCWLILVVHAJ-UHFFFAOYSA-N 305.377 3.957 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([C@@H](C)O)c1 8382815 FKJFGXYWMKEKJF-NEPJUHHUSA-N 319.788 3.799 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCCCN2CCCCCC2)cc1 10111080 MFIMJOUQCIHGIW-UHFFFAOYSA-N 316.489 3.980 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](c1ccco1)C2 10156803 HEJLAHKUISOHNT-LBPRGKRZSA-N 310.328 3.826 0 40 DHAB O=C(COc1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CC1 11204168 RCWXUAIJHZPNJL-GOSISDBHSA-N 315.800 3.986 0 40 DHAB CCc1nn2c(O)c(Cl)c(C)nc2c1-c1ccc(OC)cc1 12115662 XOEHKOAGEJRDIR-UHFFFAOYSA-N 317.776 3.635 0 40 DHAB CCOc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12605898 QOXGVSYJWKTFND-GOSISDBHSA-N 310.397 3.517 0 40 DHAB COc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1F 12790873 ZFMDRZKMMTYRLS-SLEUVZQESA-N 308.397 3.773 0 40 DHAB O=C(CSc1nc(C2CCCC2)n[nH]1)c1ccc(F)cc1 12950332 IFKWRCIEWRQYPU-UHFFFAOYSA-N 305.378 3.576 0 40 DHAB CC1CCC(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)CC1 12973677 BIENMIHXPPSRSW-FMIVXFBMSA-N 309.413 3.580 0 40 DHAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1 13132159 CJELIFRFAHCATP-ROUUACIJSA-N 320.396 3.741 0 40 DHAB Cc1cccc(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)c1C 13249845 ZMCKYHNUSMAAAL-IBGZPJMESA-N 311.381 3.675 0 40 DHAB CCOc1ccc(C(=S)NCc2ccccc2)cc1OC 13547004 OHWITXIWWOJZJQ-UHFFFAOYSA-N 301.411 3.559 0 40 DHAB COC(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 15419939 LDPJVIOECFUBNP-UHFFFAOYSA-N 322.364 3.824 0 40 DHAB Cc1ccc(CNc2nc3ccccc3c3nnc(C)n23)cc1 16292432 YMSLFYMOEYTKOM-UHFFFAOYSA-N 303.369 3.506 0 40 DHAB CC[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(OC)cc1 18131877 QKLOYVURSKZQOG-INIZCTEOSA-N 317.360 3.724 0 40 DHAB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1cccs1 19527166 LPJQELOSUQXACF-KRWDZBQOSA-N 315.486 3.630 0 40 DHAB CN(C)CCN1C[C@H]2[C@H]3CCCCC3=C3CCCC[C@H]3[C@H]2C1 22585498 FXNFBJIRFUKCIC-FGYAAKKASA-N 302.506 3.787 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 23954813 WKJAYNNBDNQQIN-GFCCVEGCSA-N 312.413 3.590 0 40 DHAB CC(=O)NCc1ccc(-c2csc(-c3ccco3)n2)s1 25204685 GBGPOQLVXMYMDE-UHFFFAOYSA-N 304.396 3.768 0 40 DHAB COc1ccc(OC[C@H](O)CSc2ccc(Cl)cc2)cc1 28404734 GAFVNCPVTYOKMV-ZDUSSCGKSA-N 324.829 3.881 0 40 DHAB CCOCc1ccccc1CNC(=O)c1cccc2ncccc12 30177932 IVUXRTSYHMFLGK-UHFFFAOYSA-N 320.392 3.701 0 40 DHAB C[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 31719436 RUSXYSPNUUXXDR-APWZRJJASA-N 309.409 3.579 0 40 DHAB in-vitro CCC1CCC(N(C2CC2)S(=O)(=O)c2cccs2)CC1 32916453 MSTQOLPNQQVPAB-UHFFFAOYSA-N 313.488 3.870 0 40 DHAB O=C(N1CCOC12CCCCC2)C12CC3CC(CC(C3)C1)C2 35671103 SNDROKRZFMTKQL-UHFFFAOYSA-N 303.446 3.722 0 40 DHAB COc1cc(OC)c(NC(=O)N2CCC[C@H](C)C2)cc1Cl 40103517 RIDOQBGQWLYHLJ-JTQLQIEISA-N 312.797 3.621 0 40 DHAB O=C(CSC[C@@H](O)c1ccccc1)Nc1ccc(Cl)cc1 40134567 QYUJQYJMKRGIGX-OAHLLOKOSA-N 321.829 3.745 0 40 DHAB Fc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)c2ncccc12 40153605 JBLNJILUIKZBCA-DLBZAZTESA-N 300.377 3.517 0 40 DHAB CCN1CCC[C@@H]1CNC(=O)c1oc2c(Cl)cccc2c1C 44571135 XXLDMNFKSSJKEB-GFCCVEGCSA-N 320.820 3.609 0 40 DHAB CC(C)OCc1cccc(CNC(=O)c2ccccc2F)c1 48331544 CBQLCOSZSAMENB-UHFFFAOYSA-N 301.361 3.681 0 40 DHAB Cc1cc2cc(NC(=O)c3ccccc3-n3cccn3)ccc2[nH]1 48362540 JBRAKDBIQGBNAH-UHFFFAOYSA-N 316.364 3.914 0 40 DHAB COc1ccc2cccc(NC(=O)c3c[nH]c4ccccc34)c2n1 49027943 IFDBMHUFDCTRRV-UHFFFAOYSA-N 317.348 3.977 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)CCc2ccc(Cl)s2)on1 53403035 ZULYVTJNPZQEND-GFCCVEGCSA-N 324.833 3.994 0 40 DHAB CCCCc1ccc2nc(NC(=O)c3cnns3)sc2c1 54149148 XVRYZWRLTWHCES-UHFFFAOYSA-N 318.427 3.743 0 40 DHAB O=C(CCCc1cccs1)Nc1ccc2oc(=O)ccc2c1 54253415 ASZJGMZBEZKISL-UHFFFAOYSA-N 313.378 3.816 0 40 DHAB C[C@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F 58160743 WOMYCCHEVCKNIG-MNOVXSKESA-N 322.330 3.782 0 40 DHAB Cc1cnc(C(=O)N(CCc2ccccc2)c2ccccc2)cn1 58197159 PMYXDRRDQICOGS-UHFFFAOYSA-N 317.392 3.675 0 40 DHAB Cc1cc(CN(C)C(=O)NCc2csc3ccccc23)no1 58290764 JZOUJJNPZCNOLV-UHFFFAOYSA-N 315.398 3.539 0 40 DHAB CCN1CCC[C@@H]1CNC(=O)c1cc2c(s1)CCCCCC2 68711312 UUWYEOJMPVQIMQ-OAHLLOKOSA-N 320.502 3.621 0 40 DHAB CN(C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nccs1 69813738 FAHVBJWXGSGOMB-OAHLLOKOSA-N 316.426 3.806 0 40 DHAB Nc1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 72229666 LFRNTQJGVZDQHL-UHFFFAOYSA-N 309.350 3.877 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)sc1C 72297472 KPPXFJQYPNTDOB-HUUCEWRRSA-N 304.459 3.822 0 40 DHAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN2C(C)C)s1 72386993 GLLDENFCHROCJR-LBPRGKRZSA-N 303.435 3.530 0 40 DHAB COCCSc1ccc(NC(=O)c2ccncc2Cl)cc1 73094361 ODVFJRPVHXQPFD-UHFFFAOYSA-N 322.817 3.726 0 40 DHAB O=C(c1cccc2[nH]ncc12)N1CCC(c2ccccc2)CC1 75635199 YDNUJTQOUDIAHD-UHFFFAOYSA-N 305.381 3.583 0 40 DHAB CC1(C)SC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O 79061258 TVXGTHOWBUTDMR-UHFFFAOYSA-N 303.305 3.679 0 40 DHAB CC1(C)OC[C@H](CCOC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)O1 84673835 BGHRKSKSXNPMNS-ZNMIVQPWSA-N 324.804 3.528 0 40 DHAB CC(C)N(C)[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1ccccc1 96061666 VVGIGOHBWBRPNS-RTWAWAEBSA-N 323.484 3.607 0 40 DHAB O=c1c2oc3ccccc3c2[nH]c(=S)n1Cc1ccccc1 100927688 RKNJRYMLSYCRGO-UHFFFAOYSA-N 308.362 3.854 0 40 DHAB C[C@H]1[C@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccccc12 101390356 NDVTYUTYGXTXEH-XZOAIXRZSA-N 310.422 3.867 0 40 DHAB COC(=O)/C=C(/C)Nc1ccc(C(=O)C2CCCCC2)cc1 104086171 MNZHGABPIMUTJM-SEYXRHQNSA-N 301.386 3.938 0 40 DHAB CC(C)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 106148270 RUIWJDGPKKFHRA-JQFCIGGWSA-N 314.429 3.542 0 40 DHAB c1ccc(Sc2cccc3c(N4CCNCC4)ccnc23)cc1 225321760 JYHATTUVDFGHPO-UHFFFAOYSA-N 321.449 3.796 0 40 DHAB NC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225496737 UEORROIRFHTHAF-UHFFFAOYSA-N 317.392 3.569 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 225601057 VVJZKBTUBRJLFG-CYBMUJFWSA-N 321.417 3.736 0 40 DHAB COc1ccc(C(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 244914771 BDLXIITXLGKSAF-CYBMUJFWSA-N 309.365 3.802 0 40 DHAB COC(=O)c1cc(C)c(OC(=O)c2ccc(Cl)cc2)c(C)c1 256054731 XNRIFSCOFLCBLA-UHFFFAOYSA-N 318.756 3.963 0 40 DHAB O=C(O)c1cccc(N2Cc3ccc(Br)cc3C2)c1 47113 ZMABNOQEOAGXTE-UHFFFAOYSA-N 318.170 3.668 0 40 DHAB Cc1cccc(-n2ncc3c(N4C[C@@H](C)C[C@H](C)C4)ncnc32)c1 74298 DLJHKUKZXUWCQO-GJZGRUSLSA-N 321.428 3.606 0 40 DHAB CC(C)CCOC(=O)c1ccc(NC(=O)c2ccncc2)cc1 119490 ZMMDYXZTHDYLQE-UHFFFAOYSA-N 312.369 3.537 0 40 DHAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1Cl 315726 GMZDNWQXOMBEEB-ZROIWOOFSA-N 301.704 3.824 0 40 DHAB Fc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 385279 YFWINMQYLORGRQ-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB Oc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1 416836 SQXFHJAQVMSNSK-UHFFFAOYSA-N 302.330 3.874 0 40 DHAB O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1 1386431 XFABQXUSBLSPMK-UHFFFAOYSA-N 310.284 3.773 0 40 DHAB CC(C)(C)CC(C)(C)NS(=O)(=O)NC(C)(C)CC(C)(C)C 1687225 JBYKTVJYAYHAGQ-UHFFFAOYSA-N 320.543 3.840 0 40 DHAB COc1ccc([C@@H](C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1703883 NUBXMMVTSWOWED-CYBMUJFWSA-N 320.410 3.547 0 40 DHAB C[C@H](N)c1nnc(SCc2c(Cl)cccc2Cl)o1 5123750 HHGUZCASSALHIW-LURJTMIESA-N 304.202 3.688 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N[C@H](C)c2ccccc2)c1 5347477 KPKBLGNBUMGDDG-CYBMUJFWSA-N 303.789 3.905 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)NCCc2ccc(F)cc2)c1 5347506 IWYBDIOQEMJELS-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB CC1(C)CC(=O)OC/C=C\C[C@@H](Cc2ccccc2)C(=O)C1 5373852 OGKONHYBENQTGO-WLMCBFPDSA-N 300.398 3.724 0 40 DHAB COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3CC[C@H]12 5529950 BSKWXDWRTACMCC-UHOSZYNNSA-N 302.414 3.879 0 40 DHAB CC[C@@H]1CCCCN1C(=O)COc1cccc2c1OC(C)(C)C2 6934123 IUVQDLIBHBRHPN-OAHLLOKOSA-N 317.429 3.570 0 40 DHAB Cc1cccc(OCCCC(=O)Nc2nc(C)c(C)s2)c1 7685670 DQXKHZZOBKIBOH-UHFFFAOYSA-N 304.415 3.866 0 40 DHAB CC(C)[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 8002831 BOCZOUPLVKMVDZ-GOSISDBHSA-N 318.367 3.890 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)c(C)c1 8369211 PIMXXJDTXGRCMN-UHFFFAOYSA-N 317.772 3.787 0 40 DHAB COc1ccc2nc(SCCOc3ccccc3)[nH]c2c1 8710034 JNWKAWAJRFHGNU-UHFFFAOYSA-N 300.383 3.743 0 40 DHAB Cc1ccccc1-c1noc([C@H]2CC(=O)N(c3ccccc3)C2)n1 9317901 FLUFKTJEDGYDAU-AWEZNQCLSA-N 319.364 3.566 0 40 DHAB O=C(Nc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1)c1ccco1 11534623 PYAZUOJMPHAHHE-OAHLLOKOSA-N 324.380 3.504 0 40 DHAB Cc1ccc(C)n1-c1nc2cc(C(=O)NC3CC3)ccc2s1 13656115 QMQGNGKJLHZRRX-UHFFFAOYSA-N 311.410 3.596 0 40 DHAB CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1C 13660612 QJPKSUNDOYOELC-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB Cc1cc(F)ccc1NC(=S)Nc1ccc2c(c1)OCO2 13937317 XPSADNAEXTULRN-UHFFFAOYSA-N 304.346 3.672 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)n1 14304698 CQEAGVFJSHEGQW-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 14634510 PREPLKPNZDXOBT-CYBMUJFWSA-N 317.458 3.689 0 40 DHAB CSc1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 14701885 YGUCGMWUZVUOCC-UHFFFAOYSA-N 315.394 3.709 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C)c(C)c1 15471242 KGEFYZSITHFBRY-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB Cc1cnc(N2C(=O)CS[C@H]2c2cccc(Cl)c2)s1 17198011 IUMGCOBGWBQLLW-LBPRGKRZSA-N 310.831 3.884 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(Cl)c2)c1 17370434 SJGQKDFYKHHMDN-LLVKDONJSA-N 319.788 3.848 0 40 DHAB Cc1cc(NC(=O)Cc2ccccc2)ccc1-c1ccc(CO)o1 20137112 KCWRZRADWBVQQC-UHFFFAOYSA-N 321.376 3.929 0 40 DHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(C)oc1C 21708561 DHJHJLPRUVQAFO-UHFFFAOYSA-N 317.385 3.576 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)cc1 25716421 GLKXLSOPNWSSEZ-HNNXBMFYSA-N 304.777 3.654 0 40 DHAB Cc1ccc(OC[C@@H](O)CN2C(C)(C)CCCC2(C)C)cc1 27666036 PKYYEHCFPBUZQR-INIZCTEOSA-N 305.462 3.778 0 40 DHAB Cc1cccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)n1 27970778 GBYAXDXCFDFJCI-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(O)cc1 32093029 YUSQQMJYFQOWDE-UHFFFAOYSA-N 316.407 3.758 0 40 DHAB C[C@H](CNC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1 32827584 UANRPKNOEBIJJS-OAHLLOKOSA-N 321.424 3.806 0 40 DHAB CN(Cc1cccs1)c1nn2cc(C(C)(C)C)nc2s1 32908978 FELZLRUAVQWHES-UHFFFAOYSA-N 306.460 3.786 0 40 DHAB Oc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1 35606363 PXDOWORJQOOZKP-UHFFFAOYSA-N 308.385 3.847 0 40 DHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]2(C)O 36370683 SLGYIGUMKJYZLP-LHKICJQLSA-N 318.457 3.528 0 40 DHAB COc1cc(OC)cc(C(=O)c2ccc(Br)cc2)c1 37358028 VSQFZACRBGACFS-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB CC(=O)N(C(=O)COc1ccc(C(C)C)cc1)c1ccccc1 41104836 VCCHGZOMKCEKNJ-UHFFFAOYSA-N 311.381 3.769 0 40 DHAB C[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccncc1 43185824 DBWBNDZYVLWOFM-GXTWGEPZSA-N 301.415 3.751 0 40 DHAB O=C(NCc1ccc(Cl)s1)N[C@H]1C[C@H]1c1ccccc1 49053639 COTZXGZYSXNKPO-STQMWFEESA-N 306.818 3.757 0 40 DHAB CCN(C(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1 54867233 DWWJGFUTAVJOEL-UHFFFAOYSA-N 305.381 3.598 0 40 DHAB COc1ccc(CC(=O)NC(C)(C)CC(C)(C)C)cc1OC 57156182 SCFSWSIXVBJPRG-UHFFFAOYSA-N 307.434 3.577 0 40 DHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1c(C)n[nH]c1C 65446816 WKAXSZLGFDOJOK-ZDUSSCGKSA-N 316.405 3.763 0 40 DHAB Cc1cccc(NC(=O)N(C)CCCc2nc3ccccc3[nH]2)c1 65982770 QPPXMFMURNYHHF-UHFFFAOYSA-N 322.412 3.968 0 40 DHAB Cc1ccccc1[C@H]1CCN(C(=O)c2c[nH]c3ncccc23)C1 69570895 LAHRIZVKZYOVOO-AWEZNQCLSA-N 305.381 3.501 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@H]1C[C@H]1c1ccccc1F 69753534 LZVVTWAMCUYFCU-KBPBESRZSA-N 316.401 3.580 0 40 DHAB CC(C)Oc1ccc(NC(=O)C(C)(C)Br)cc1 71653592 NPRXJTKNOGVZEG-UHFFFAOYSA-N 300.196 3.586 0 40 DHAB CC[C@H]1CCCN(C(=O)c2ccc(CN3CCCCC3)s2)C1 72307018 NIGGZDINOBZLBW-HNNXBMFYSA-N 320.502 3.996 0 40 DHAB Cc1cc(-c2cnc(NCc3ccccn3)nc2C(C)(C)C)on1 72341133 QLFPFEOCSTWMGT-UHFFFAOYSA-N 323.400 3.745 0 40 DHAB Cc1csc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)n1 72406044 AOKXOIYRDNFPBO-UHFFFAOYSA-N 312.398 3.506 0 40 DHAB CC(=O)N1CC[C@H](N[C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 84714648 QJGMSJQMTNSQOO-AVYPCKFXSA-N 310.441 3.747 0 40 DHAB Cc1nc(-c2ccc(NC(=O)c3ccn(C(C)C)n3)cc2)oc1C 95396315 VHHCYHISHFCVAM-UHFFFAOYSA-N 324.384 3.988 0 40 DHAB Cc1nc(C[S@](=O)Cc2cccc(OC(F)F)c2)cs1 96404416 IFCOBRDAFTVZKA-FQEVSTJZSA-N 317.382 3.502 0 40 DHAB Cc1cc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)on1 97086521 JFMBQQZSPMQSHW-LBPRGKRZSA-N 324.302 3.632 0 40 DHAB O[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100517700 KPKKFLBYCOLRQR-XFOYTBOXSA-N 316.826 3.583 0 40 DHAB COc1ccc(C(=O)CCc2ccc(F)cc2F)cc1OC 199763211 OKGZTCIRYWLEPJ-UHFFFAOYSA-N 306.308 3.798 0 40 DHAB O=C(NC[C@@H]1CCCN1c1ccccc1)Nc1ccc(F)cc1 211119684 YCXKHDNQKFRYCB-KRWDZBQOSA-N 313.376 3.616 0 40 DHAB CCOc1ccc(C(=O)NCCOc2ccccc2C)cc1C 225130446 BSTJTDBWRNMNHD-UHFFFAOYSA-N 313.397 3.511 0 40 DHAB COc1ccc(CCCNC(=S)Nc2cccc(F)c2)cc1 225556495 XJSBFSBLCMUBBW-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB CC(C)c1cc(NC(=O)N[C@H]2CCCOc3ccccc32)no1 266403535 PNGQDBVECWBPEY-ZDUSSCGKSA-N 315.373 3.833 0 40 DHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccsc3)S2)cc1 408783983 OZHMRFRVNKKKNL-IHWMJMDHSA-N 316.451 3.910 0 40 DHAB CCCCc1nc2cc(Br)cc(C(=O)OC)c2o1 575442752 UOCKWIASEWQMPX-UHFFFAOYSA-N 312.163 3.720 0 40 DHAB c1ccc(C(CNc2ncnc3[nH]ccc23)c2ccccc2)cc1 588895569 PHDYHLXZLNZLAF-UHFFFAOYSA-N 314.392 4.202 0 40 DHAB Cc1nc2ccccc2n1C1CN(c2ccnc3ccccc23)C1 1775974580 VVXWPDYEUDSZCE-UHFFFAOYSA-N 314.392 3.954 0 40 DHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl 34432 GLDJTIBYIWYOML-LLVKDONJSA-N 314.772 3.718 0 40 DHAB O=C(c1ccc(F)cc1)c1cccc(C(=O)c2ccc(F)cc2)n1 1622912 ZWBHLMOYZNLVNU-UHFFFAOYSA-N 323.298 3.822 0 40 DHAB O=C1C[C@H](c2cccs2)Cc2nc3nc4ccccc4n3cc21 2357139 SENMHDLEQFUJPW-LLVKDONJSA-N 319.389 3.857 0 40 DHAB CC(C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778698 QAZJMNJZPOCPLI-SSDOTTSWSA-N 323.746 3.518 0 40 DHAB O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cc1 3315543 GEDGIUTWXWPONL-UHFFFAOYSA-N 309.793 3.792 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(F)cc1 3343720 PBFOLXGMIDNFMC-SNVBAGLBSA-N 307.752 3.979 0 40 DHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1 3353383 OXWACPHCWQPXQX-LLVKDONJSA-N 308.834 3.861 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 3411728 HIHXRGCDVLYIJD-NSHDSACASA-N 323.400 3.507 0 40 DHAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccn2C)N3)C1 4571590 QXCAKQZLDRSSMA-LKFCYVNXSA-N 301.415 3.640 0 40 DHAB COc1ccc(OC)c(NC(=S)N[C@H]2CCCC[C@H]2C)c1 7529403 DKVLDCUPBQERSW-YPMHNXCESA-N 308.447 3.569 0 40 DHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)C1CCC1 7758082 PVYHEXTTZLPJJO-UHFFFAOYSA-N 324.380 3.686 0 40 DHAB CCC[C@H](O)c1nc2ccccc2n1Cc1ccccc1OC 8587081 CVYALFODGUJFBA-KRWDZBQOSA-N 310.397 3.927 0 40 DHAB CNc1nn(-c2cccc(C)c2)c2c1C(=O)C[C@@H](c1ccco1)C2 9936354 PGNAIVIAHLSKGC-ZDUSSCGKSA-N 321.380 3.728 0 40 DHAB CN(CCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1 9982064 TVEZSZAKGLHZOD-UHFFFAOYSA-N 316.832 3.592 0 40 DHAB Cn1ncc2c(Nc3cccc(Nc4ccccc4)c3)ncnc21 12636410 ROKMJEJJTKOKBG-UHFFFAOYSA-N 316.368 3.851 0 40 DHAB c1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12668390 HOGAHOGKDMTKKM-UHFFFAOYSA-N 320.396 3.511 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc3ncccc23)cc1 13012649 YNBVBKLLTQNMPB-AWEZNQCLSA-N 306.365 3.949 0 40 DHAB Cc1ccc(C)c(-c2cc(-c3nc(-c4cccnc4)no3)[nH]n2)c1 16846819 AJKXFSRCSAISIF-UHFFFAOYSA-N 317.352 3.806 0 40 DHAB O=C(N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1ccccn1 19373845 ALPSQXVJYVYTNK-FPAYPSAMSA-N 306.409 3.784 0 40 DHAB COc1ccc([C@H](C)NC(=O)CSCc2ccccc2)cc1 20040491 NZRQCADFEGYQSP-AWEZNQCLSA-N 315.438 3.806 0 40 DHAB O=C(Oc1ccccc1F)C1=C(c2ccccc2)SCCO1 20725243 YMZKNKFPORXUHH-UHFFFAOYSA-N 316.353 3.863 0 40 DHAB Cc1sc2ncnc(Sc3nc(C(C)C)n[nH]3)c2c1C 22420405 YYZUSZGUMNSTOU-UHFFFAOYSA-N 305.432 3.701 0 40 DHAB Clc1ccc(CNc2nn3cnnc3c3ccccc23)cc1 27795209 ILWZSLLZKRQRIQ-UHFFFAOYSA-N 309.760 3.543 0 40 DHAB CC[C@@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccc(Cl)cc1 32904103 WZTQFZUBAZLTAJ-OAHLLOKOSA-N 318.804 3.762 0 40 DHAB O=C(/C=C/c1c(F)cccc1F)Nc1nc(C2CC2)cs1 40133078 VAFSOCHPDWEFRV-VOTSOKGWSA-N 306.337 3.951 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)C1(c2cccc(F)c2)CCC1 47644220 QNUJDTQZLJFYMV-UHFFFAOYSA-N 316.376 3.511 0 40 DHAB COc1cccc(C[S@](=O)Cc2nc3ccccc3s2)c1 48354431 WUEKDCQJTZLRAM-OAQYLSRUSA-N 317.435 3.754 0 40 DHAB Cc1ccc(C)c(CS[C@@H](C)C(=O)Nc2cc(C)on2)c1 58357715 GCKHSYHNYKODLO-ZDUSSCGKSA-N 304.415 3.860 0 40 DHAB c1ccc(-c2nc(CNCc3cc4ccccc4[nH]3)cs2)nc1 58473787 PAFGLYRLDBYXOJ-UHFFFAOYSA-N 320.421 3.976 0 40 DHAB O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCCCC1 59052451 HCRIYGZVUZJCLN-UHFFFAOYSA-N 305.381 3.856 0 40 DHAB COc1ccc2oc(/C=C/C(=O)NCc3ccccc3)cc2c1 67339877 QCDXXMPFQUHOEP-CSKARUKUSA-N 307.349 3.771 0 40 DHAB CC(=O)N[C@H]1C[C@@H](Cc2cc(CC3CCCCC3)on2)C1(C)C 67890012 KVZURYIFMMQHEA-QAPCUYQASA-N 318.461 3.891 0 40 DHAB biogenic,in-vitro O=C(CCc1cc(F)ccc1F)N1CCC[C@H]1c1ccc[nH]1 71823306 DUCBPZDZNQPPEM-INIZCTEOSA-N 304.340 3.589 0 40 DHAB CCOc1ccc(-c2nc(C(=O)N(C)C3CCC3)cs2)cc1 72296996 WLMFYFHAIIVTLC-UHFFFAOYSA-N 316.426 3.833 0 40 DHAB CCSCCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 72304851 GJHWIMNYVZVZAT-HNNXBMFYSA-N 307.459 3.738 0 40 DHAB Cc1ccc(NC(=O)NC2(CCO)CCCCC2)cc1Cl 75106558 DWPHKKSMKTUIHT-UHFFFAOYSA-N 310.825 3.855 0 40 DHAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2ccon2)n1 76042884 NZQKAYRYYPUBJC-GFCCVEGCSA-N 319.430 3.796 0 40 DHAB CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccncc1 79023099 WOARYIGUEIKZLM-NWANDNLSSA-N 307.463 3.506 0 40 DHAB Cc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 82334762 KNDQDYBIRWEIRK-UHFFFAOYSA-N 315.682 3.710 0 40 DHAB Cc1ccc([C@@H](NC(=O)c2cnc3onc(C)c3c2)C2CC2)cc1 84148673 JGCNYKHYWZAUNG-QGZVFWFLSA-N 321.380 3.721 0 40 DHAB FC(F)(F)c1nn(Cc2csc(C3CC3)n2)c2ccncc12 92918168 ZFGBSIYXNXPVTM-UHFFFAOYSA-N 324.331 3.832 0 40 DHAB COCCCn1c(CCCCC(=O)O)nc2cc(Cl)ccc21 95095657 FMSUORRYRNLJAX-UHFFFAOYSA-N 324.808 3.524 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)c1ccc2nsnc2c1 95457311 FUFYSNQLFAPHRO-UHFFFAOYSA-N 307.737 3.736 0 40 DHAB CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccccn2)c1 96433211 MSPMRWJZKDXZPG-UHFFFAOYSA-N 322.368 3.651 0 40 DHAB C[C@@H](N[C@H]1CCCn2ncnc21)c1cc2cc(Cl)ccc2o1 97034641 VWBQIEWXRWTJRA-MFKMUULPSA-N 316.792 3.863 0 40 DHAB CC[C@@H](c1ccc(F)cc1F)[S@](=O)Cc1nc(C)c(C)o1 97083629 JETVRKNUSUADIL-QKKBWIMNSA-N 313.369 3.970 0 40 DHAB CC(C)n1ccnc1CN[C@@H](C)c1ccccc1-n1cccn1 97230780 FXDJKKLGXPBPQA-HNNXBMFYSA-N 309.417 3.501 0 40 DHAB O=C(Cc1cccc(Br)c1)N1CCc2ccccc21 166062575 XQSLUUONGWIZJP-UHFFFAOYSA-N 316.198 3.581 0 40 DHAB N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 195544192 WTHPQIOYMMPMPY-ZWKOTPCHSA-N 312.388 3.579 0 40 DHAB C[Si](C)(C)c1cc(Br)ccc1Br 219787257 AHBFBOAMDRJUEO-UHFFFAOYSA-N 308.089 3.757 0 40 DHAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc2c(c1)CCC2 223225805 YWOGRDQOZXBXMA-LSDHHAIUSA-N 309.409 3.820 0 40 DHAB COc1ccccc1CCCNC(=O)Cc1cccc(Cl)c1 223760385 MZWQLCKUIWZSSY-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB CCOCc1cc(C(=O)N2CCCCCC2)ccc1OCC 224698569 RFXZRDGIVPNVFB-UHFFFAOYSA-N 305.418 3.638 0 40 DHAB CCOc1ccc(C(=O)N(CC)CC)cc1COCC(C)C 224739906 UBVDWVXLBGJNPE-UHFFFAOYSA-N 307.434 3.740 0 40 DHAB Fc1ccc(CCCNC(=S)Nc2ccc(F)cc2)cc1 225546891 PXLYOIITTKCJQX-UHFFFAOYSA-N 306.381 3.884 0 40 DHAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 225592156 UACCWOJZKMYCGJ-OAHLLOKOSA-N 318.461 3.782 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1N 226304148 FVKGFQZCHKMOQQ-BETUJISGSA-N 312.413 3.955 0 40 DHAB COCCNC(=S)Nc1ccc(Oc2ccccc2C)cc1 408586175 MGRGHVRUBKYLLG-UHFFFAOYSA-N 316.426 3.720 0 40 DHAB CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2ccccc21 408713131 LESLNEGHIFTTFU-UHFFFAOYSA-N 324.424 3.642 0 40 DHAB CCC[C@H](CCC[C@@H](C)O)COC(=O)c1ccccc1C(=O)O 504052205 KNDRVUYMYPIFIU-ZIAGYGMSSA-N 322.401 3.509 0 40 DHAB biogenic Cn1c(=O)c(CN2CCC3(CCCC3)CC2)cc2ccccc21 570825365 XUEBNGXPGINEJE-UHFFFAOYSA-N 310.441 3.695 0 40 DHAB CC(C)[C@@H](C(=O)Nc1ccc(C(F)(F)F)cn1)n1cccc1 575443965 DZJMYQUZGZEJJA-ZDUSSCGKSA-N 311.307 3.738 0 40 DHAB CCCn1c(NCc2nc3ccccc3n2C)nc2ccccc21 111506 ZSDDNBRRJXBCCF-UHFFFAOYSA-N 319.412 3.945 0 40 DHAB Cc1ccccc1NC1=C(Cl)C(=O)N(C2CCCCC2)C1=O 137997 KONUSDNJTXWEAG-UHFFFAOYSA-N 318.804 3.559 0 40 DHAB COc1cc(O)ccc1[C@@H]1Nc2ccc(C)cc2-c2cc(C)nn21 382426 QAFNARZJPXJHNS-LJQANCHMSA-N 321.380 3.854 0 40 DHAB COC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 421601 ICTBRAWGEXCUJI-UHFFFAOYSA-N 310.378 3.562 0 40 DHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 1937387 DQFPKIFYYMXOBA-VAWYXSNFSA-N 309.365 3.824 0 40 DHAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@H]1C(=O)O 2773401 RPUFBGAIJXSOAN-VHSXEESVSA-N 316.184 3.823 0 40 DHAB O=C(Oc1cc2sc(=O)oc2cc1Cl)c1ccccc1 3155594 UIADENTVXDHEEZ-UHFFFAOYSA-N 306.726 3.727 0 40 DHAB Cc1nc(-c2cc[nH]n2)cn1Cc1c(Cl)cccc1Cl 4002444 DQCJEKGHQLLZPR-UHFFFAOYSA-N 307.184 3.937 0 40 DHAB C[C@H]1CCc2nc(NC(=O)CSc3ccccc3)sc2C1 4496618 ONLOKQVDGXJEFA-NSHDSACASA-N 318.467 3.999 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C)CC2=O)cc1 4610688 YQCLIVOVHCTQIK-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB Cc1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 5557807 IJINTQSBZPFKJS-UHFFFAOYSA-N 322.386 3.545 0 40 DHAB CC1(C)CC(NC(=O)Nc2cccc(Cl)c2)CC(C)(C)N1 5839255 LPBUQMZPDURORZ-UHFFFAOYSA-N 309.841 3.771 0 40 DHAB Cc1ccc(C)c(NC(=S)NCC2(N(C)C)CCCCC2)c1 7583677 RWQSJWJZVQYLGL-UHFFFAOYSA-N 319.518 3.854 0 40 DHAB O=C(Cc1ccc(Cl)cc1)OCCOc1ccccc1F 7780051 FMZDXQUAXGOWDW-UHFFFAOYSA-N 308.736 3.644 0 40 DHAB Cc1cc(C)cc(OCC(=O)N2CCc3sccc3[C@H]2C)c1 7829695 GILLPYFFPJHFRY-CQSZACIVSA-N 315.438 3.890 0 40 DHAB COc1ccc(CNC(=O)Cc2coc3c(C)c(C)ccc23)cc1 8035443 BYQMABMVLNOHAC-UHFFFAOYSA-N 323.392 3.917 0 40 DHAB O=C1CCc2cc(-c3csc(-c4ccccn4)n3)ccc2N1 8209570 NOVBABXBAJVDHR-UHFFFAOYSA-N 307.378 3.757 0 40 DHAB Cn1cccc1[C@H]1CCCN1CC(=O)c1c[nH]c2ccccc12 8313245 RBRALQZINDIWHR-GOSISDBHSA-N 307.397 3.526 0 40 DHAB Cc1cc(-c2nn(-c3ccccc3)cc2C=O)cc2c1O[C@H](C)C2 8549122 RPDGSUSXIYHXDF-CQSZACIVSA-N 318.376 3.984 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cccn2)cc1 9156018 IZEJWVKCXQBNTB-OAHLLOKOSA-N 305.381 3.706 0 40 DHAB Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)O)c(N)c12 9302837 UAEDVHFIWBHCBC-UHFFFAOYSA-N 319.773 3.601 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1F 9364892 YAKCBKZOXKWGQM-QGZVFWFLSA-N 323.371 3.988 0 40 DHAB COc1ccc(-c2cc(COC(=O)c3cccs3)no2)cc1 11613675 SEJPSCKBDNHFNH-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB CCOc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2)cc1 11921341 IKPPXJJMOZUDMZ-UHFFFAOYSA-N 321.380 3.738 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cn(C)c2ccccc12 12143994 HSFDAADITFXNSR-QRWLVFNGSA-N 318.424 3.539 0 40 DHAB CCc1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)o1 12443883 KYWAHYXGXXGJGV-UHFFFAOYSA-N 311.316 3.690 0 40 DHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cnccn1 12950310 ZERAFQBHPZDOCH-SECBINFHSA-N 310.184 3.617 0 40 DHAB COc1ccc(-[n+]2cc(-c3ccc(C)cc3)n3c2SCC3)cc1 13496546 LUMFRFYQKACABY-UHFFFAOYSA-N 323.441 3.855 0 40 DHAB COc1ccc(OC)c(NC(=O)N2CCCc3ccccc32)c1 15934558 HDULLFSFGDAAJQ-UHFFFAOYSA-N 312.369 3.689 0 40 DHAB O=C(OCc1csc(-c2cccs2)n1)c1ccccn1 18768721 XNQMSHOYCVVGMS-UHFFFAOYSA-N 302.380 3.624 0 40 DHAB Clc1ccc(CNCCNCc2ccc(Cl)cc2)cc1 19370426 CYMQHJTXFPRIMG-UHFFFAOYSA-N 309.240 3.873 0 40 DHAB CN1CCC[C@@H]1c1cc2cccnc2n1Cc1ccc(F)cc1 19588703 JUESPYYZNLGUEB-QGZVFWFLSA-N 309.388 3.990 0 40 DHAB COc1ccccc1-c1n[nH]c(Nc2ccc(Cl)cc2)n1 20411709 ZZYSBHXBFFDWBS-UHFFFAOYSA-N 300.749 3.877 0 40 DHAB CCOC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Cl 20452332 WZCHADBQDOISOW-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB COc1ccc([C@@H](NC(=O)c2ccnc(Cl)c2)C(C)C)cc1 22469448 JTDYVTZBXMGKQO-INIZCTEOSA-N 318.804 3.871 0 40 DHAB CN(CC(=O)Nc1cc(F)ccc1F)[C@H]1CCc2ccccc21 29483643 MWMXQPUTQYFNSR-KRWDZBQOSA-N 316.351 3.523 0 40 DHAB Cc1csc(NC(=O)Cn2ccc3cc(Cl)ccc32)n1 31812781 XBTRRZNHDBKOLF-UHFFFAOYSA-N 305.790 3.698 0 40 DHAB CC[C@H](NCc1c[nH]nc1C)c1ccc(Br)cc1 37886423 OMCVDSWLSNYPJR-AWEZNQCLSA-N 308.223 3.722 0 40 DHAB Cc1ccc(-n2nc(C)cc2NC(=O)Cc2ccccc2F)cc1 40023529 OPMRPWQTKIKXEZ-UHFFFAOYSA-N 323.371 3.809 0 40 DHAB Cc1sc2ncnc(SCCC(=O)NCC(C)C)c2c1C 40266681 ITWVAGLTQDALRC-UHFFFAOYSA-N 323.487 3.563 0 40 DHAB CC(C)OCc1ccc(CNC(=O)c2ccc(F)cc2)cc1 48361802 SYVWDWIXNTWPJY-UHFFFAOYSA-N 301.361 3.681 0 40 DHAB COc1cc(OC)c(N[C@@H](C)c2nc(C3CC3)no2)cc1Cl 55151655 FDFGCPUEFUXEAY-QMMMGPOBSA-N 323.780 3.791 0 40 DHAB CNC(=O)c1ccccc1OCc1nc(-c2ccccc2)oc1C 58331960 NUAPWCIWZCNAPQ-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB CSc1ccccc1NC(=O)N[C@H](C)c1c(C)nn(C)c1C 65607357 MMTQZKUDIBJTBG-SNVBAGLBSA-N 318.446 3.642 0 40 DHAB O=C(CCSCc1ccccn1)N[C@@H]1CCc2ccccc21 69381027 ULJIKTPEYYSWMZ-QGZVFWFLSA-N 312.438 3.509 0 40 DHAB c1ccc(-c2nccc(N3CCC[C@@H]3c3ccccn3)n2)cc1 69538973 NGIKJBOSPUOIFA-QGZVFWFLSA-N 302.381 3.880 0 40 DHAB COc1cc(-c2nc3c(C)cc(C)cc3[nH]2)cc(OC)c1OC 70462784 CXLQGKYOYJKZLD-UHFFFAOYSA-N 312.369 3.873 0 40 DHAB C[C@@H](NS(=O)(=O)CC1CCCCC1)c1cc2ccccc2o1 72230435 YTVMCKAWTUHZBV-CYBMUJFWSA-N 321.442 3.994 0 40 DHAB COc1cc(Cl)ccc1C(=O)NCc1cc(F)cc(F)c1 72331753 QUANPUHQYWDQCX-UHFFFAOYSA-N 311.715 3.557 0 40 DHAB COc1ccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1F 75132236 AEHVWZXPZCSPHY-INIZCTEOSA-N 317.408 3.522 0 40 DHAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1nccs1 75476732 DCDFXDJYEMDCRA-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB COc1ccccc1-c1nnc(SCc2nc(C)cs2)o1 78879604 FPEAVTPVGLWSPU-UHFFFAOYSA-N 319.411 3.802 0 40 DHAB Cc1ccccc1[C@@H](NCc1ccc([S@@](C)=O)cc1)C1CC1 84234917 BYFYPWOTIFWCAB-UGKGYDQZSA-N 313.466 3.973 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)s1 89656619 REBFCGPWZBDJDD-LBPRGKRZSA-N 304.419 3.765 0 40 DHAB C[C@H](O)C1CCN(Cc2ccccc2OC2CCCC2)CC1 92969343 XQWWNFWUQYKERU-HNNXBMFYSA-N 303.446 3.601 0 40 DHAB Cc1c(-c2ccccc2)nn2c(-c3cc(O)ccc3O)ccnc12 95478509 HZODKSWPMWCDSS-UHFFFAOYSA-N 317.348 3.783 0 40 DHAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)c1 95915159 RLLMRWHJCSNANJ-INIZCTEOSA-N 322.408 3.664 0 40 DHAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccoc3)C[C@@H]21 96100668 PYHIBNAVBFIASU-UFYCRDLUSA-N 310.441 3.890 0 40 DHAB CCC(=O)Nc1c(NCc2ccccc2)c2ccccc2oc1=O 101094169 FMVCCWJMMARYSW-UHFFFAOYSA-N 322.364 3.754 0 40 DHAB Cc1nc(C2=C(O)CN(c3ccc(F)cc3F)C2=N)sc1C 102735286 PEZPRSAZNHUBBK-UHFFFAOYSA-N 321.352 3.805 0 40 DHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 103075271 ONTIKEHAUCIUQA-BRXULGCHSA-N 307.821 3.660 0 40 DHAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccccc2)c1 113969741 YGDBVSHXBGKGNY-GOSISDBHSA-N 313.397 3.559 0 40 DHAB CCOC(=N)c1cc(Br)cc(Br)c1 216351682 ZPQGAUFONVTPNS-UHFFFAOYSA-N 306.985 3.573 0 40 DHAB COc1ccc(OCCCC(=O)NCC2CCCCC2)cc1 224147092 MVDYFZHDBJODOY-UHFFFAOYSA-N 305.418 3.551 0 40 DHAB CCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225336915 PBORBWFCRWUIQA-UHFFFAOYSA-N 323.421 3.551 0 40 DHAB CC[C@H](NC(=S)Nc1ccc(C)cn1)c1ccc(OC)cc1 225490903 AYKKYNXMIRHSGS-HNNXBMFYSA-N 315.442 3.836 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C)c(C)cc2C)c1 225641859 NXKPKSYHZPZUTO-UHFFFAOYSA-N 311.381 3.959 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCN(Cc2cccc3cccnc23)C1 257231268 GFZLSESQACIFAB-INIZCTEOSA-N 306.413 3.646 0 40 DHAB COCOc1c(Br)cc(C)cc1Br 306269014 SGEMXXQSQUWKGX-UHFFFAOYSA-N 309.985 3.503 0 40 DHAB Cc1ccc(Cl)cc1NCc1ccccc1OCC(=O)O 409111935 ALSNOKQCJDWCBS-UHFFFAOYSA-N 305.761 3.724 0 40 DHAB COc1ccc(N(C)C(=O)c2ccc3nc(C)sc3c2)cc1 409189945 OCJHSZVKMCCETL-UHFFFAOYSA-N 312.394 3.890 0 40 DHAB COc1ccc(-c2cn3cc(Br)ccc3n2)cc1 348910 PHOOUPYIXZOYQJ-UHFFFAOYSA-N 303.159 3.772 0 40 DHAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C 360193 MOKIAAUVWBHHKQ-UHFFFAOYSA-N 303.383 3.794 0 40 DHAB Cc1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1 424467 NTVALTGQFSJJRE-UHFFFAOYSA-N 324.384 3.751 0 40 DHAB O=C(NC1CCOCC1)N1c2ccccc2CCc2ccccc21 525341 GRPOJQSHFBEQDK-UHFFFAOYSA-N 322.408 3.812 0 40 DHAB O=Cc1cn(CC(=O)Nc2cccc(Cl)c2)c2ccccc12 573930 JWMUJRXFSSKXPA-UHFFFAOYSA-N 312.756 3.746 0 40 DHAB COc1ccc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)cc1 803246 FEUAONLXNCNQGO-UHFFFAOYSA-N 318.423 3.735 0 40 DHAB CCc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1 1987231 UPVJAFWFAZMHGM-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB Cc1ccc2c(c1)[nH]c1c(=O)n(CCc3ccc(F)cc3)cnc12 2198283 VXOKMYOCBJQUFE-UHFFFAOYSA-N 321.355 3.568 0 40 DHAB FC(F)(F)c1nnc2sc(-c3cc4ccccc4o3)nn12 2340754 HEUAJHZYJQMBCN-UHFFFAOYSA-N 310.260 3.618 0 40 DHAB CC[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)c1ccccc1 3228155 YRNOVITTXLPLGP-MRXNPFEDSA-N 300.329 3.745 0 40 DHAB COc1ccccc1/C=C/C(=O)N[C@H]1CCCc2ccccc21 3608556 DEDLYOPFEIOIRR-JKGDOXCYSA-N 307.393 3.902 0 40 DHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1 5111757 AHUUMJFPVOHAIF-OAHLLOKOSA-N 305.377 3.924 0 40 DHAB COc1ccc(-c2n[nH]c(SCc3csc(C)n3)n2)cc1 6141766 JHVYRSJNMXSFEX-UHFFFAOYSA-N 318.427 3.538 0 40 DHAB O=C(NCc1ccccc1F)c1c2c(nc3ccccc13)CCC2 7755730 GXSDSZWSFTWUFT-UHFFFAOYSA-N 320.367 3.793 0 40 DHAB CCn1c2ccccc2c2cc(NC(=O)C3=COCCO3)ccc21 8776629 LPTNEXBOZDJYTP-UHFFFAOYSA-N 322.364 3.641 0 40 DHAB COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1OC 8940613 DYRPOADCWDNGTR-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB COc1ccccc1OCCC(=O)Nc1ccc(C)cc1F 9366598 RBEHRLUVDBIIBT-UHFFFAOYSA-N 303.333 3.550 0 40 DHAB Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)C3CC3)sc2c1 11066136 AOPVKOWAGLNVFD-ZDUSSCGKSA-N 316.426 3.527 0 40 DHAB Cc1ccnc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 12522935 LUWCIWVBUCEXAT-UHFFFAOYSA-N 318.380 3.705 0 40 DHAB CCCCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 12546572 FECUOHNERUZVQK-UHFFFAOYSA-N 309.369 3.994 0 40 DHAB CC(C)(C)c1ccc(OCCOc2ccccc2C(N)=O)cc1 12860159 GWWUZQFRYXHAFP-UHFFFAOYSA-N 313.397 3.541 0 40 DHAB Oc1ccc(CCCC[C@@H](O)CCc2ccc(O)cc2)cc1 13384944 UYJAYWZGEZOHRU-QGZVFWFLSA-N 300.398 3.804 0 40 DHAB biogenic,in-vitro Nc1ccc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1 13534945 DJENPWQPLJXDMH-UHFFFAOYSA-N 321.346 3.614 0 40 DHAB Cc1c(C(=O)Nc2cccc(C(C)C)c2)nnn1-c1ccccc1 19910911 ZHZMJQYRNJWQBG-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB Cc1cc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)on1 24394577 WVOBDJHBCHHQSO-UHFFFAOYSA-N 320.392 3.719 0 40 DHAB CC(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 25250574 YPRSTZAKRBEOSY-UHFFFAOYSA-N 314.288 3.617 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)CCc1nc2ccccc2[nH]1 25345150 CNHOKNPGIAUNCY-AWEZNQCLSA-N 301.434 3.827 0 40 DHAB CCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 28230596 CEPLSCGMGDTUQG-UHFFFAOYSA-N 314.168 3.915 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccccc1 32832997 AGYKUKOOKDXIJC-GFCCVEGCSA-N 310.328 3.972 0 40 DHAB COc1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1 32899925 FPXANSGQLKRUIM-ZHACJKMWSA-N 304.349 3.895 0 40 DHAB CCCCOC(=O)c1ccc(N2C=CC(C)(C)NC2=S)cc1 34926689 FFHWHSIVUHUBPG-UHFFFAOYSA-N 318.442 3.630 0 40 DHAB CN(C(=O)CNc1ccccc1OC(F)(F)F)c1ccccc1 40017915 LXXYFPDNLRQDSZ-UHFFFAOYSA-N 324.302 3.660 0 40 DHAB O=C(NCCCOCC1CC1)c1ccc(SC(F)F)cc1 40039149 VDYLARLNACIILU-UHFFFAOYSA-N 315.385 3.548 0 40 DHAB O=C(NCCCn1ccc2ccccc21)N1CCc2ccccc21 43229042 RDGCAHUEYLQNEV-UHFFFAOYSA-N 319.408 3.804 0 40 DHAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)cc1 55679485 XNDLXQSLMRRWBS-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 57718834 GWKUMBJPGVYSFM-UHFFFAOYSA-N 323.845 3.939 0 40 DHAB Cc1noc(CN2CCC[C@@H]2Cc2cccc3ccccc23)n1 60890405 ZSWPVJVOWQAUAS-QGZVFWFLSA-N 307.397 3.738 0 40 DHAB O=C(c1cccnc1-c1cccc2ncccc12)N1CCCCC1 65500766 VBHXFBYUQSEQEI-UHFFFAOYSA-N 317.392 3.923 0 40 DHAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc(F)cc1Cl 69620090 OPEZGMCXKJDKSJ-DZGCQCFKSA-N 319.763 3.774 0 40 DHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1Cl 69773809 LYMVNWQXYKGJFK-UHFFFAOYSA-N 317.772 3.731 0 40 DHAB O=c1[nH]n(C2CCCC2)c2c1[C@H](C1CCCCC1)CC(O)=N2 71283812 RLOJVDVBAJBTJN-ZDUSSCGKSA-N 303.406 3.947 0 40 DHAB Cc1cccnc1[C@@H](NC(=O)N[C@@H](C)c1nccs1)C(C)C 71909201 LEOLYXGGTQYLNM-STQMWFEESA-N 318.446 3.604 0 40 DHAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)CCC(=O)N2C)cc1 72239408 QQWRVHGCQRAGPU-IEBWSBKVSA-N 322.408 3.543 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)sc1C 72297537 AIDDGBCHELOXGZ-NSHDSACASA-N 323.849 3.761 0 40 DHAB CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@]32C 72482125 CTYBGXIPHXPWLF-UXHICEINSA-N 308.425 3.949 0 40 DHAB in-vitro CC(C)c1nc([C@H]2CCCN2Cc2nc3ccccc3o2)no1 75581750 QJJZYJUTOQNNAT-CYBMUJFWSA-N 312.373 3.671 0 40 DHAB Clc1ccc(NCC2CCOCC2)cc1Br 87152701 CTEYQZUOOCCXEH-UHFFFAOYSA-N 304.615 3.941 0 40 DHAB Cc1cc([C@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 89580466 SSQFQZADRGIFRN-KGLIPLIRSA-N 310.401 3.889 0 40 DHAB CCC/C=C/CCN1CCC(C(=O)Nc2ccc(C)cn2)CC1 89948063 NFEFYPQTTYONSW-AATRIKPKSA-N 315.461 3.787 0 40 DHAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NCC(C)(C)c1ccncc1 91842323 RHHZDEQVKUGGNC-QZTJIDSGSA-N 308.425 3.588 0 40 DHAB CCOCCn1c(CCCCC(=O)O)nc2cc(Cl)ccc21 95095655 BEUXWFOKQZOWKO-UHFFFAOYSA-N 324.808 3.524 0 40 DHAB O=C(CC1(O)CCCC1)Nc1cccc(NC2CCCC2)c1 95431887 DXDNRVQYXYEPFP-UHFFFAOYSA-N 302.418 3.675 0 40 DHAB Fc1cc(N2CCN=C2c2ccccc2)ccc1Br 95915944 GQSNFSWQQQEQCK-UHFFFAOYSA-N 319.177 3.855 0 40 DHAB Cc1cc([C@@H](C)NC(=O)NC[C@@H](O)c2cccs2)c(C)s1 95960673 COOHSUNZZSTNMX-ZWNOBZJWSA-N 324.471 3.520 0 40 DHAB COC1=C[C@H](CNC(=O)CCCC/C=C/C(C)C)CC=C1O 100051661 MKVNHBVBZJTLJG-PMGBHYCQSA-N 307.434 3.867 0 40 DHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1cccc3cccnc13)CC2=O 100936198 MBFAJMXGNCZOKK-WOJBJXKFSA-N 323.392 3.926 0 40 DHAB CC(C)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)cc1 102259291 ASPCYJVMDPAVEH-DIECFANBSA-N 313.397 3.662 0 40 DHAB CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 108087466 SWYSHFYEMCJEEY-CLCXKQKWSA-N 316.489 3.892 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1Cl 216296416 QPPBOCLMBVSNKN-UHFFFAOYSA-N 303.745 3.769 0 40 DHAB O=C(O)c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1O 216849442 TWYIURBWRCIUBZ-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224702343 YMPDREBOKWUKLL-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB COc1ccc(C[C@@H](OCc2ccccc2)C(=O)O)cc1Cl 225124790 YEJRFCDRUCLXPN-MRXNPFEDSA-N 320.772 3.561 0 40 DHAB CCCCCNC(=S)Nc1cc(C(=O)OCC)ccc1C 225378639 LPHYWYLFTUCXJQ-UHFFFAOYSA-N 308.447 3.648 0 40 DHAB Cc1cc(CC[C@H]2CCCN2Cc2scnc2C)ccn1 257233992 GRPNZYDVAANDHC-MRXNPFEDSA-N 301.459 3.752 0 40 DHAB CCn1nccc1-c1cc(C[C@H]2CCCN(C(C)C)C2)ccn1 257235495 GYCOBGCWFJBYEY-QGZVFWFLSA-N 312.461 3.628 0 40 DHAB O=C(O)c1ccc(OCc2ccccc2)cc1OC(F)(F)F 394714283 IJDDQXANBYRLDI-UHFFFAOYSA-N 312.243 3.862 0 40 DHAB Cc1cc2c(cc1-c1nc(O)c3c(C)c(C)sc3n1)OCO2 408986603 REHOJKLTBUMTQK-UHFFFAOYSA-N 314.366 3.718 0 40 DHAB CO[C@H](C(=O)NCCSC1CCCCC1)c1ccccc1 409025992 CYKDBUXZHIVBJA-INIZCTEOSA-N 307.459 3.556 0 40 DHAB O=C(NC1CC1)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 584907260 VOWUDUOCAPMTIZ-UHFFFAOYSA-N 312.316 3.721 0 40 DHAB Cc1cc(C)c2nc(N3CC(Cn4ccnc4C)C3)sc2c1 1889179226 KJXJBIYGPOEDMR-UHFFFAOYSA-N 312.442 3.554 0 40 DHAB O=C(CN1CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 43123 YIDGLBBUPVXGMT-UHFFFAOYSA-N 320.314 3.707 0 40 DHAB O=C(CN1C(=O)c2cccc3cccc1c23)NC1CCCCCC1 118739 ZTHRWUNIIRTLJQ-UHFFFAOYSA-N 322.408 3.639 0 40 DHAB Cc1cccc(Nc2ncc(F)c(N3CCCCC3)n2)c1C 205447 OXVAUPWVDQTQIV-UHFFFAOYSA-N 300.381 3.966 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 288631 SHUZKJORTRXGPW-UHFFFAOYSA-N 318.170 3.904 0 40 DHAB CC(C)CC[C@H](C[C@H](C)O)c1nnc(S)n1-c1ccccc1 2303650 UTESJULFGYSALG-UONOGXRCSA-N 319.474 3.847 0 40 DHAB CC(C)(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 2751632 PPOBKLMXTCTRSK-UHFFFAOYSA-N 321.314 3.632 0 40 DHAB COC(=O)[C@H](CCCCCCC(C)C)NC(=O)c1ccccc1 3032835 IRVSABRWYHCZEB-KRWDZBQOSA-N 319.445 3.955 0 40 DHAB biogenic,in-vitro CCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21 4059782 CWIWWCRUSCJZOB-UHFFFAOYSA-N 315.398 3.688 0 40 DHAB CC1(C)[C@]2(C(=O)NCc3ccccc3Cl)CC[C@@]1(C)C(=O)C2 4185875 AUHVLWTWBCLNGO-ZWKOTPCHSA-N 319.832 3.742 0 40 DHAB CCSc1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 5032465 ANQWPLHIYZYDCO-HNNXBMFYSA-N 315.394 3.577 0 40 DHAB Cc1ccn2cc(C(=O)OCc3ccc(Cl)cc3)nc2c1 5270718 VBPDIFAKDATHQE-UHFFFAOYSA-N 300.745 3.653 0 40 DHAB CCCCCC[C@H](CC(=O)NCCCN(C)C)c1ccco1 5347695 GWSUOLBPMUEULM-MRXNPFEDSA-N 308.466 3.792 0 40 DHAB Clc1cccc(Cl)c1COc1cccc(-n2cnnn2)c1 5474344 UOQASELBRUZOCZ-UHFFFAOYSA-N 321.167 3.548 0 40 DHAB FC(F)Oc1ccc(/C=C/c2nnc(-c3ccncc3)o2)cc1 6926214 WPNOLYKMUFSQNL-ZZXKWVIFSA-N 315.279 3.903 0 40 DHAB CCCCNC(=S)Nc1ccc(Br)cc1F 7571239 HEPORWBGMMZQJE-UHFFFAOYSA-N 305.216 3.675 0 40 DHAB C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1 7777514 XLJLZZZXBUGALJ-MEDUHNTESA-N 301.773 3.521 0 40 DHAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)c1ccc[nH]1 8072130 PHSRXUXWHNAJBK-UHFFFAOYSA-N 322.151 3.526 0 40 DHAB CCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 8586754 BEARDGLEIMVFCG-LLVKDONJSA-N 316.426 3.919 0 40 DHAB CCCCc1nnc2sc(COc3c(C)cccc3C)nn12 11278160 BZDPNHJKCZWHDS-UHFFFAOYSA-N 316.430 3.724 0 40 DHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)CCC2 12364893 MVTHRLKXYYYWAU-GFCCVEGCSA-N 310.349 3.554 0 40 DHAB Cc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCC1 12543025 WFWAIVJODBUQQJ-UHFFFAOYSA-N 319.792 3.797 0 40 DHAB Cc1ccc(-c2noc(CN3CCCc4ccccc43)n2)cc1 12608075 YVNVNVJDMOUZSA-UHFFFAOYSA-N 305.381 3.998 0 40 DHAB CC(C)n1ncc2cc(C(=O)N3c4ccccc4C[C@@H]3C)cnc21 12778178 UUHFRCZTZWXLGU-ZDUSSCGKSA-N 320.396 3.604 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1cccc(F)c1 13072784 ROEVWBKLGOXACW-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB COc1cccc(Oc2ccc3nnc(-c4ccccc4)n3n2)c1 13720809 CFPOBLODFFIZKR-UHFFFAOYSA-N 318.336 3.592 0 40 DHAB C[C@H](CNC(=O)c1ccc(Br)cc1)c1ccccc1 15744814 UDGPVSYMYJISCC-GFCCVEGCSA-N 318.214 3.983 0 40 DHAB CC(C)(C)c1ccc(O)c(NC(=O)COc2cccc(F)c2)c1 17360973 ZMZAIFIOZRGGLP-UHFFFAOYSA-N 317.360 3.846 0 40 DHAB CCN(CC)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 19202110 PCXAWLMFXNPABB-LCYFTJDESA-N 324.833 3.676 0 40 DHAB COc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1 19927613 YUPYSKJNNWAEPR-YGRLFVJLSA-N 320.439 3.627 0 40 DHAB CCn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2cc(C)ccc21 22234625 FOTDDEQDQLSWNN-UHFFFAOYSA-N 324.355 3.721 0 40 DHAB COc1ccc(Cn2nccc2NC(=O)c2ccc(C)cc2)cc1 32594208 KCMCXMSMPBSNKF-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccn(-c2ccccc2)n1 32914381 OHTSVQIUIOWKJF-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB C[C@H](SCCOc1ccccc1)C(=O)Nc1ccccc1F 36701198 ACRSWPXQSZXHFE-ZDUSSCGKSA-N 319.401 3.965 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 39994041 GBYXXIFUNXQADZ-UHFFFAOYSA-N 312.369 3.922 0 40 DHAB Cc1noc(CSc2nc(C)c(C)n2C2CCCCC2)n1 42357247 NPEYNNHUKFXNLA-UHFFFAOYSA-N 306.435 3.989 0 40 DHAB CC(C)[C@@H](NCc1ccn(C)c(=O)c1)c1ccc(Cl)cc1 48374919 DJYSXOGOMLJHKB-QGZVFWFLSA-N 304.821 3.526 0 40 DHAB Cc1cc(CNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)on1 50353764 WFDNWKSOOPVVJT-UHFFFAOYSA-N 312.413 3.629 0 40 DHAB O=C(CC(F)(F)F)Nc1cccc(-c2cn3c(n2)CCCC3)c1 54135733 SSKXNRFTTJSBQJ-UHFFFAOYSA-N 323.318 3.777 0 40 DHAB CS[C@H](C)C(=O)Nc1ncccc1OCC1CCCCC1 58171654 DRTRJFCPBOIKTI-GFCCVEGCSA-N 308.447 3.731 0 40 DHAB COc1cccc(CN2CCC[C@H]2c2nc(C(C)C)no2)c1 67350695 ZTOAMXMKZDUJOL-HNNXBMFYSA-N 301.390 3.539 0 40 DHAB Cc1c(F)cccc1CN1CCC(NC(=O)OC(C)(C)C)CC1 67801025 VTOVVQNOILQDIF-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB CCCCN1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C 72219425 XCMSHKSUDFNSKQ-SFHVURJKSA-N 317.477 3.554 0 40 DHAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)c(C)o1 72297403 ATHGQYXUPYNGSU-CQSZACIVSA-N 318.442 3.990 0 40 DHAB Cc1ccccc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 72366757 ZCIXBNJDXNNAEG-IBGZPJMESA-N 318.424 3.913 0 40 DHAB Cc1ccc(CC(=O)N(Cc2ccccc2F)C2CC2)s1 84205368 ZYCMGRLGDJQJPM-UHFFFAOYSA-N 303.402 3.929 0 40 DHAB CC(=O)c1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1C 89411973 MRAOHIHCCKIJKK-SFHVURJKSA-N 322.364 3.654 0 40 DHAB COC(=O)c1cc(CNc2ccc(-c3ncco3)cc2)oc1C 92174895 ZKPLPDHTEOJKBJ-UHFFFAOYSA-N 312.325 3.642 0 40 DHAB Cc1cc(OCCO)ccc1NCc1cnc2ccsc2c1 95437423 CUJRJOSDAJRUMB-UHFFFAOYSA-N 314.410 3.588 0 40 DHAB CC[C@H](C)[C@H](NCc1ccc(OC)cc1)C(=O)OC(C)(C)C 95467214 BNUUAWZSFYSCEG-BBRMVZONSA-N 307.434 3.541 0 40 DHAB CN(C)c1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 95916754 VZXIEQWTRTYFIU-UHFFFAOYSA-N 315.241 3.679 0 40 DHAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C4CCCCC4)cc1c32 101078603 TVPCAMJLTYLGCC-LBPRGKRZSA-N 312.413 3.602 0 40 DHAB O=C(OCc1ccccc1)N1CCc2[nH]c3ccccc3c2CC1 170278262 QSVVOQNKBQVEEC-UHFFFAOYSA-N 320.392 3.905 0 40 DHAB COc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1C 224305658 FOCVMIHMCAPUQO-UHFFFAOYSA-N 317.816 3.906 0 40 DHAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224620595 PQWCQIFVWUQVLT-INIZCTEOSA-N 323.436 3.958 0 40 DHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)nc1 225904472 PALMLCQYENNSTP-QGZVFWFLSA-N 308.422 3.650 0 40 DHAB Cc1cccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Cl)c1 226357136 DPYJRLKDRBSIKK-SOFGYWHQSA-N 315.756 3.999 0 40 DHAB CC1(C)CC(=O)[C@@H]2C(c3ccc(Cl)cc3Cl)=NN[C@H]2C1 228929556 QFJQQOZTBPMASU-WCQYABFASA-N 311.212 3.675 0 40 DHAB O=c1ccc(C2CC2)nn1Cc1c(Cl)oc2ccccc12 585114187 QAKXLWBQNGVVGD-UHFFFAOYSA-N 300.745 3.569 0 40 DHAB Cc1nc2ccccc2n1C1CN(c2nc3ccccc3o2)C1 1775974606 XJMJRRQMEXXDRH-UHFFFAOYSA-N 304.353 3.547 0 40 DHAB CC1(C)CCCC2=C1C[C@@H]1C(=O)NN(c3ccccc3)C(=O)[C@@H]1C2 171950 SEEZGBPPAWHPMP-JKSUJKDBSA-N 324.424 3.597 0 40 DHAB biogenic C[C@@H](O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1017197 RAGJLMZHMNHLCN-SNVBAGLBSA-N 320.186 3.755 0 40 DHAB Cc1ccc(N2C(=O)CCSC2=S)cc1Br 1565570 IZFQYSUBSAIVQC-UHFFFAOYSA-N 316.245 3.512 0 40 DHAB CC(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1 2663133 OGKKDLOHMNWPCS-UHFFFAOYSA-N 302.761 3.593 0 40 DHAB COc1cc2cnc3c(c(C)nn3-c3ccccc3)c2cc1OC 3127801 WSUVFNAXJXHUHX-UHFFFAOYSA-N 319.364 3.899 0 40 DHAB CCc1ccc(CN(C)CC(=O)Nc2ccc(C)c(F)c2)cc1 3323131 GFHFWTFKOIKBGN-UHFFFAOYSA-N 314.404 3.767 0 40 DHAB c1csc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 3360164 MCZFZLMJGFTZMS-LBPRGKRZSA-N 311.410 3.949 0 40 DHAB CCCCC(=O)Nc1nnc(SCc2ccccc2)s1 4681356 TVWMCISHRKPUGQ-UHFFFAOYSA-N 307.444 3.959 0 40 DHAB COc1ccc(NC(=O)c2ccccc2OC(C)=O)cc1Cl 4838439 NRXULAGFAGGXMR-UHFFFAOYSA-N 319.744 3.526 0 40 DHAB O=C(O)[C@@H]1OC1(c1ccccc1Cl)c1ccccc1Cl 4946046 FKDCFPLJHRNFNM-ZDUSSCGKSA-N 309.148 3.720 0 40 DHAB COc1ccc([C@@H]2CN=N[C@@]23CCc2ccccc2C3=O)cc1 5069213 VVWPJJSGAWNBNT-HKUYNNGSSA-N 306.365 3.813 0 40 DHAB CC(C)N(C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2)C(C)C 5442048 YGXKWCVOKQHWRC-WFRNDULYSA-N 323.521 3.699 0 40 DHAB COc1ccc(CNC(=O)COc2ccccc2C(C)C)cc1 5680783 XJMZGWAOFRWJTJ-UHFFFAOYSA-N 313.397 3.514 0 40 DHAB CCc1ccc(NC(=S)Nc2ccccc2C(=O)OC)cc1 6283940 CQWBOMBCWUUXGS-UHFFFAOYSA-N 314.410 3.845 0 40 DHAB COc1ccc(C2=NN=C(N[C@@H]3CCCC[C@H]3C)SC2)cc1 6522537 MCVOAHXIOLNFOZ-IUODEOHRSA-N 317.458 3.670 0 40 DHAB Cc1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1 6671848 KDEPPCQGJUSMMQ-UHFFFAOYSA-N 305.381 3.998 0 40 DHAB CSc1ccccc1NS(=O)(=O)c1cc(C)ccc1C 7056641 YHEOLYTYCVZSNT-UHFFFAOYSA-N 307.440 3.826 0 40 DHAB Cc1cc(NC(=O)Cc2c(C)noc2C)ccc1Br 9535836 OMWUWRGOYUWNLS-UHFFFAOYSA-N 323.190 3.544 0 40 DHAB CCOc1ccccc1CCCNC(=O)CCc1ccccc1 10110884 ULGYYKHVPCIWKO-UHFFFAOYSA-N 311.425 3.767 0 40 DHAB c1ccc(COc2cccc(CNCCCn3ccnc3)c2)cc1 10314015 DIMRDCFQDBLTCQ-UHFFFAOYSA-N 321.424 3.642 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1 10852067 WHWSYMKLLFNYTJ-MRXNPFEDSA-N 316.426 3.834 0 40 DHAB C[C@H](NC(=O)CSc1nncc2ccccc12)c1ccccc1 12139000 BIFCKOIMDPKMKF-ZDUSSCGKSA-N 323.421 3.599 0 40 DHAB CCCc1ccc(CN(C)Cc2n[nH]c3c2CCCC3)s1 12147145 UHBVZCDZFJYMCP-UHFFFAOYSA-N 303.475 3.935 0 40 DHAB O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cccnc1 15006279 HCJHNBAREGSMMV-UHFFFAOYSA-N 307.349 3.602 0 40 DHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc(F)cc(F)c1 16101609 QRQKZBNVQVWJOK-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB NC(=O)c1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1 16429730 VIBQDBGTAFQWTA-UHFFFAOYSA-N 309.756 3.563 0 40 DHAB NC(=O)c1ccc(CSC2=Nc3ccccc3CS2)cc1 16547478 YOXVZDXAMSNBTE-UHFFFAOYSA-N 314.435 3.953 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1 19736469 VUTKKAHWNQFVRQ-UHFFFAOYSA-N 304.777 3.502 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1cccc(C)c1)c1ccc(C)cc1 20048525 UWNSHXRCERTXAV-GOSISDBHSA-N 317.454 3.874 0 40 DHAB CCN(CCCNC(=O)c1ccc(Cl)o1)c1ccccc1 21407621 KSHKYECQPBIUAC-UHFFFAOYSA-N 306.793 3.579 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 22527397 DLNPFGSKPRSOMP-INIZCTEOSA-N 321.779 3.953 0 40 DHAB Cc1ccc(OCCNC(=O)[C@@H](C)Sc2ccccc2)cc1 23038745 YYWDERZEGOGKGD-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1 24706062 AXSSAWNYDNVTKG-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB Cc1cc2nc(NCCc3csc(C)n3)c3ccccc3n2n1 26701420 ZJAZMXBMDBXVGU-UHFFFAOYSA-N 323.425 3.610 0 40 DHAB Cc1cccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1C 28285188 WNPKMVOZBKCHGU-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB COC(=O)c1cc(NC(=O)c2cccc(C)c2)ccc1Cl 31054569 DWINLXACLLQQHK-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB Cc1c(Cl)cccc1NC(=O)CCc1nc(C(C)C)no1 31548435 GPOVDYHJFAOLRF-UHFFFAOYSA-N 307.781 3.726 0 40 DHAB c1ccc([C@@H](NCc2cccnc2)c2ccc3c(c2)OCO3)cc1 31815615 XXCJLFIXRLSAFZ-HXUWFJFHSA-N 318.376 3.690 0 40 DHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(F)c1 32776624 QPXAEQLNMHESSE-QGZVFWFLSA-N 315.344 3.636 0 40 DHAB Cc1cccc(/C=C/C(=O)NCc2ccc(-n3cccn3)cc2)c1 32925646 AZKFXNLRVOPVLD-DHZHZOJOSA-N 317.392 3.510 0 40 DHAB Cn1ccc2c(C(=O)NCCc3c[nH]c4ccccc34)cccc21 36369849 GQWOJWGJAIYARF-UHFFFAOYSA-N 317.392 3.632 0 40 DHAB biogenic CN(CC1CCCCC1)C(=O)c1ccc(Cn2cccn2)cc1 43980301 FFUFDWJQSJVLCA-UHFFFAOYSA-N 311.429 3.584 0 40 DHAB CC[C@H](C)NC(=O)Nc1cccc(COCc2ccco2)c1 47602478 VQPKMDCRGOTOKW-ZDUSSCGKSA-N 302.374 3.916 0 40 DHAB CN(C)c1cc(C(=O)N(C)c2ccc3ccccc3c2)ccn1 48003026 OCOFCDDQLRSCTL-UHFFFAOYSA-N 305.381 3.577 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccncc2)c1C 48196358 WWFUIMKWSUASKO-FUHWJXTLSA-N 324.424 3.829 0 40 DHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccccc1 49466773 UVYDAWWNLLEVJU-ZWKOTPCHSA-N 323.392 3.708 0 40 DHAB O=C(NC1CC1)[C@H](Nc1ccc(Cl)c(F)c1)c1ccccc1 56173989 HHSZTHWINDLZDL-MRXNPFEDSA-N 318.779 3.911 0 40 DHAB O=C(Nc1cc(F)ccc1F)[C@@H](c1ccccc1)n1cccc1 56907459 KBHJOUYZBHIMPZ-QGZVFWFLSA-N 312.319 3.994 0 40 DHAB COC(=O)c1ccc(-c2ccc(Br)cc2OC)o1 57353753 FVPPJPCGMSCAAM-UHFFFAOYSA-N 311.131 3.504 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N[C@@H]1CCc2cc(F)ccc21 58354986 KZXAFNOFRLXLMC-CQSZACIVSA-N 322.767 3.512 0 40 DHAB Cn1c(SCc2ccc(F)c(F)c2)nc2ccsc2c1=O 67259729 NVQXQJPOPUUWMD-UHFFFAOYSA-N 324.377 3.566 0 40 DHAB C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cccnc1 71884270 MUNZQVMCJDBZHH-MRXNPFEDSA-N 317.392 3.880 0 40 DHAB Cc1ccc(F)c(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1 72313538 DFCMBGAUENMKKZ-KRWDZBQOSA-N 308.397 3.587 0 40 DHAB Cc1n[nH]cc1CN1CCC[C@H](c2cc3ccccc3cn2)C1 72341801 OHFFKVJSJDUCMN-KRWDZBQOSA-N 306.413 3.646 0 40 DHAB Clc1ccc2[nH]c3c(c2c1)CN(c1ncnc2[nH]ccc12)CC3 77388425 VVFPLMJPDMBBAH-UHFFFAOYSA-N 323.787 3.655 0 40 DHAB FC(F)(F)c1ccc(NC(=S)NCc2ccncc2)cc1 78967063 GNHPRGFAJFYAAW-UHFFFAOYSA-N 311.332 3.587 0 40 DHAB C[C@@H](NC(=O)N(C)Cc1ccco1)c1csc(C2CC2)n1 79036695 GMKLDFIHRISMFM-SNVBAGLBSA-N 305.403 3.516 0 40 DHAB COC(=O)c1cc(Br)c(Sc2ccccc2)o1 85395553 ILKTWNURIOWWQF-UHFFFAOYSA-N 313.172 3.980 0 40 DHAB COc1ccc(C)nc1NCc1csc(-c2ccccn2)n1 89626873 AOMLFNYVBXLHPV-UHFFFAOYSA-N 312.398 3.529 0 40 DHAB C[C@H](O)CNc1ncnc2cc(-c3ccc(Cl)cc3)sc12 89901364 BGUZVFMKLMAJPK-VIFPVBQESA-N 319.817 3.804 0 40 DHAB CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[C@H](SC)C1 95423393 QTNIENXVWLGHLX-IMJJTQAJSA-N 320.502 3.840 0 40 DHAB O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc2ccccc2c1 95956259 ZWMFDGVWJDSXMR-GOSISDBHSA-N 304.393 3.695 0 40 DHAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccsc1 95960322 URRVQYVAZKBWQA-UHFFFAOYSA-N 301.289 3.784 0 40 DHAB CC1(C)CCC[C@@H](CNc2ccccc2CS(C)(=O)=O)C1 95973171 PSWCZGJRPJHLJE-CQSZACIVSA-N 309.475 3.860 0 40 DHAB CC(=O)c1cnc(NC(=O)[C@@H](C)SCc2ccccc2)s1 96411622 CGCBPGKVIWQREI-LLVKDONJSA-N 320.439 3.606 0 40 DHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2csc(C)n2)o1 96433137 BCOMUKSEIAOLLM-IAQYHMDHSA-N 318.442 3.895 0 40 DHAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 97017261 WPTUSCVGQBFGFQ-CVOVGHTJSA-N 315.429 3.695 0 40 DHAB Cc1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)cs1 98208121 SVHPYKNJXNVSQN-UHFFFAOYSA-N 314.332 3.801 0 40 DHAB in-vitro C[C@H](NS(=O)(=O)c1ccc(Cl)s1)[C@@H]1C[C@H]2CC[C@H]1C2 102837881 JDICAAHWQVLZSF-NAKRPEOUSA-N 319.879 3.505 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nccn1Cc1ccccc1 107335095 MYWJWXHKINJYAF-ULQDDVLXSA-N 309.413 3.696 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118927505 XLHAVSYGJGEONL-AZFOIECZSA-N 318.457 3.528 0 40 DHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)s1 222858759 WNKYFAUPMAKSKT-LSDHHAIUSA-N 317.483 3.834 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(OC)c(Cl)c2)cc1 225093515 UFGXXAZJMNJSMC-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB COc1cccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)c1 225100067 FARKPJLOCWNDOG-GOSISDBHSA-N 314.381 3.695 0 40 DHAB CO[C@H](CNC(=O)c1cc2ccccc2s1)c1ccco1 225653697 GYLNVCNTXUWYPA-CYBMUJFWSA-N 301.367 3.612 0 40 DHAB O=C(NCc1ccnc(-c2ccco2)c1)c1cccc(Cl)c1 225656423 BHLJYRQQPGBIPG-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB CCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c2ccccc12 225813275 IEHDVYZEFCJVCQ-LJQANCHMSA-N 313.397 3.992 0 40 DHAB CCc1cc(Br)cc(C)c1NC(=O)C(F)(F)F 226098163 OIDJNPUFQNBMST-UHFFFAOYSA-N 310.113 3.821 0 40 DHAB COc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1OC 257339968 ZDYGPGWLWNLPCA-VZUYIZPNSA-N 320.429 3.577 0 40 DHAB O=C(c1csc(-c2ccccc2)n1)N1CCC(CF)CC1 296037886 WQPCILJCAXGOGQ-UHFFFAOYSA-N 304.390 3.632 0 40 DHAB CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2cc(C)ccc21 408713083 JOZLSJOHBURAMR-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB Cc1ccc(CSC2=NCCN2C(=O)Cc2ccccc2)cc1 244558 HIERRHHNFAKJBZ-UHFFFAOYSA-N 324.449 3.669 0 40 DHAB Cc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)cc1C 255634 ZHRJJJHKHKQOSX-UHFFFAOYSA-N 323.421 3.859 0 40 DHAB COC(=O)c1cn(CCOc2ccccc2C)c2ccccc12 555879 ZKTCHQVWLQZJSB-UHFFFAOYSA-N 309.365 3.815 0 40 DHAB CCN[C@H](CC)CCCNc1cc(OC)cc2cccnc12 1873648 AUKDLGJCMQVKGJ-OAHLLOKOSA-N 301.434 3.824 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1CC(O)=Nc2nc3ccccc3n21 2338713 UFTIAJPNXMWDBW-OAHLLOKOSA-N 320.352 3.516 0 40 DHAB CC1(C)CC(=O)c2sc(NC(=O)C3CCCCC3)nc2C1 2482847 IVSBYTKLWXFHIO-UHFFFAOYSA-N 306.431 3.817 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1cccc(OC(F)F)c1 2629712 WPSPGUWWRUKGOZ-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB CCCCCCc1nnc(NC(=O)COc2ccccc2)s1 3109190 CDOPBGZGLIINFO-UHFFFAOYSA-N 319.430 3.678 0 40 DHAB Cc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)c(Cl)cc12 3220199 RWMGVXPEIFWKIM-UHFFFAOYSA-N 308.761 3.749 0 40 DHAB Cc1cccc2nc(CSc3nnc(-c4ccccc4)o3)cn12 4150377 NCCKLEDMYIPFAD-UHFFFAOYSA-N 322.393 3.985 0 40 DHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1 4703697 TUVSLFHPJCPDAS-OAHLLOKOSA-N 324.424 3.786 0 40 DHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1 4703698 TUVSLFHPJCPDAS-HNNXBMFYSA-N 324.424 3.786 0 40 DHAB Cc1ccc(C)c(C2(C)CC([C@H](O)CN3CCCCC3)C2)c1 5542415 LGUVWUSWYOZZAT-SKINQDTJSA-N 301.474 3.818 0 40 DHAB Cc1ccc(-n2c(S)nnc2CNc2ccc(F)cc2)cc1 6533860 WQWXKHFBDRDWKS-UHFFFAOYSA-N 314.389 3.616 0 40 DHAB CCCn1c(C)cc(-c2csc(NC(=O)C3CC3)n2)c1C 6552163 BQBYUYFCGCPAEB-UHFFFAOYSA-N 303.431 3.987 0 40 DHAB CCSc1nnc(NC(=O)c2ccc3ncsc3c2)s1 7264360 NQTMVTBFFFKTOX-UHFFFAOYSA-N 322.440 3.512 0 40 DHAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1cccs1 7444365 XLHBALXDTTZKCU-LBPRGKRZSA-N 322.861 3.711 0 40 DHAB Cc1ccccc1CNC(=O)COc1cccc2ccccc12 7892343 FDPCNQGZEQDVJJ-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc(C(C)(C)C)cc1 8295255 JYAYGACMDBQVJS-BQFCYCMXSA-N 319.489 3.987 0 40 DHAB CCC(=O)Nc1nnc(SCCCc2ccccc2)s1 9614711 QPMBDIXGLKOLQE-UHFFFAOYSA-N 307.444 3.612 0 40 DHAB COc1ccc(CNC(=O)NC2CCCCCCC2)cc1OC 9877823 SLFWCEQNXCRGTD-UHFFFAOYSA-N 320.433 3.616 0 40 DHAB Cc1ccc(-c2noc(-c3cc4ccc(O)cc4oc3=O)n2)cc1 9940947 MPGXUYJPRVUFOS-UHFFFAOYSA-N 320.304 3.524 0 40 DHAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F 12553175 VMZOXZLEGDCPIP-ZBEGNZNMSA-N 316.351 3.569 0 40 DHAB COc1cc(Cl)c(NC(=O)Cc2ccccc2)cc1OC 12824156 QZENJDJICDLHRL-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB Fc1ccccc1Nc1nnc(SC[C@H]2CCCO2)s1 14023559 ZQVNWMGUSXMGDW-SECBINFHSA-N 311.407 3.692 0 40 DHAB Cc1nn(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 16266474 KGTUXVCSPXFPNY-UHFFFAOYSA-N 308.772 3.990 0 40 DHAB O=C(Nc1ccc(F)cc1)Nc1cccc(N2CCCC2=O)c1 18176792 UOSYFMHBGBFGJN-UHFFFAOYSA-N 313.332 3.597 0 40 DHAB CCCCOc1ccccc1C(=O)Nc1cc(N)ccc1F 19736620 DPZVGYXCRVKUGE-UHFFFAOYSA-N 302.349 3.839 0 40 DHAB CCc1nc(OCC(=O)Nc2ccccc2C)c2ccccc2n1 21361156 ZHCXCTFBAZIGJW-UHFFFAOYSA-N 321.380 3.518 0 40 DHAB Cc1cccc(-n2nnnc2SCc2ccc(Cl)s2)c1 21373752 LXTSYWVFOZNEBU-UHFFFAOYSA-N 322.846 3.978 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)Nc2cc(C)ccc2C)c1 22464118 PTBSBTNXFJSDJZ-AWEZNQCLSA-N 310.397 3.945 0 40 DHAB CN(C)c1ccc(CCCNC(=O)c2ccccc2Cl)cc1 23001819 HUPMFFCJOPWIDL-UHFFFAOYSA-N 316.832 3.769 0 40 DHAB CC(C)(CNC(=O)Nc1ccccc1)N1CCc2ccccc2C1 23130130 RGUCFVSLTQFQBJ-UHFFFAOYSA-N 323.440 3.645 0 40 DHAB Cc1nc(NC(=O)c2nc(Cl)ccc2Cl)sc1C 24248310 VGYZXNOTBKJCJZ-UHFFFAOYSA-N 302.186 3.714 0 40 DHAB Cc1cc(C(=O)CCC(=O)N2CCc3ccccc32)c(C)s1 25380631 NJWNMIYTJVVSPD-UHFFFAOYSA-N 313.422 3.917 0 40 DHAB O=C(CCc1ccccc1)Nc1cnn(Cc2ccc(F)cc2)c1 27920486 UIPOHSYDJBXILV-UHFFFAOYSA-N 323.371 3.642 0 40 DHAB Cc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)c(C)n1C1CC1 29983158 TYPBDAUKEDDVNU-UHFFFAOYSA-N 324.428 3.687 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 32836308 GLHIUXSOKKVDII-IONNQARKSA-N 321.289 3.620 0 40 DHAB CCc1nc2ccc(C(=O)Nc3ccccc3O)cc2nc1CC 32855790 ZGQBYMKGIJIUCD-UHFFFAOYSA-N 321.380 3.713 0 40 DHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1ccccc1)C2 35290336 LSVPLDATEPZGPS-ALOPSCKCSA-N 301.434 3.604 0 40 DHAB O=C(Nc1ccc2cc[nH]c2c1)c1snnc1-c1ccccc1 36357104 WHZWSPQFYBNIOL-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB Fc1ccc(-c2cc(C(F)F)nc(NC[C@@H]3CCCO3)n2)cc1 36613411 RTLQHKNAPCNDJC-LBPRGKRZSA-N 323.318 3.811 0 40 DHAB O=C(c1cccc(C2OCCO2)c1)c1ccc(F)c(Cl)c1 43212564 BEPFNRFCBGIHJL-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB Cc1ncsc1C(=O)Nc1nc2ccc(Cl)cc2s1 43268876 QIFUVUQTOKGFQQ-UHFFFAOYSA-N 309.803 3.967 0 40 DHAB Cc1ccccc1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 44999348 GAIKOEDGHMXSJO-LJQANCHMSA-N 321.424 3.927 0 40 DHAB Fc1ccc2nc(-c3ccc(Cn4cnnc4)cc3)sc2c1 45920815 IOWCVKUKHGCWSN-UHFFFAOYSA-N 310.357 3.742 0 40 DHAB COCc1ccccc1NC(=O)Cc1ccc2c(c1)CCCC2 46933362 SZUFNYHPPJRKOB-UHFFFAOYSA-N 309.409 3.893 0 40 DHAB COc1cccc(NC(=O)N[C@H](C)COc2ccccc2C)c1 56516275 MQAFVYWPHMNUTA-CQSZACIVSA-N 314.385 3.593 0 40 DHAB Cc1cc(CN(C)C(=O)CCOc2ccc(C(C)C)cc2)no1 58290637 ACUAXZGDNIOSOV-UHFFFAOYSA-N 316.401 3.534 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc4nc(C)oc4c3)[nH]c2c1 58394190 DLNQQIPWXUIFFH-UHFFFAOYSA-N 321.336 3.878 0 40 DHAB CCOC(=O)c1cnc2c(CC)cccc2c1N(CC)CC 64874796 DGBYEWLZTKXPIN-UHFFFAOYSA-N 300.402 3.820 0 40 DHAB CCCCOc1ccc(C(=O)Nc2ccc(N)cc2OC)cc1 66141363 REYPLZXEGTWAST-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB Cc1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c(C)cc1Cl 70474664 JZRPCBDNEKONPC-UHFFFAOYSA-N 322.813 3.591 0 40 DHAB in-vitro Cc1nc(C2(NCc3ncc(C(C)(C)C)o3)CCCCC2)no1 71833199 GBYBXXPPSKKHIU-UHFFFAOYSA-N 318.421 3.613 0 40 DHAB C[C@H](c1cccnc1)N(C(=O)CCCc1ccccn1)C1CC1 71903577 AYKYNKQFQQFBBB-OAHLLOKOSA-N 309.413 3.552 0 40 DHAB CCOc1ccc(-c2[nH]ncc2C(=O)NCC(C)C)cc1Cl 72329306 RKEHPJOEQLBQII-UHFFFAOYSA-N 321.808 3.515 0 40 DHAB COc1ccc(Cl)cc1NCCC(=O)N1CC(C)(C)C1(C)C 76094510 SDENDCVKERDRRO-UHFFFAOYSA-N 324.852 3.798 0 40 DHAB Cc1nnc([C@@H](C)S(=O)(=O)c2cc(C(C)(C)C)ccc2C)o1 95393316 LTZFLIJCMIBXKK-LLVKDONJSA-N 322.430 3.519 0 40 DHAB C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCCc1ccccc1F 95455501 OEFKDZZTXCQPOH-KBPBESRZSA-N 324.440 3.650 0 40 DHAB CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(C)sc1C 95969195 OAOSOSPTSMPRRU-BXUZGUMPSA-N 304.463 3.705 0 40 DHAB CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ncccc2Cl)c1 97232427 CPHGVUSKWDJURN-UHFFFAOYSA-N 324.167 3.599 0 40 DHAB CC(C)c1ccccc1OCC(=O)NCCSC(C)(C)C 222806091 UTELNWMSTONLOM-UHFFFAOYSA-N 309.475 3.837 0 40 DHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(F)cc2)cc1 223373967 LKFYDGGWAISVNF-UHFFFAOYSA-N 315.388 3.932 0 40 DHAB CCOC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)c(N)c1 225434887 XRBKLFCHZTXOFY-UHFFFAOYSA-N 320.776 3.851 0 40 DHAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cn1 225889098 MIKQXRSLESVUEV-KSSFIOAISA-N 320.433 3.794 0 40 DHAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)nc1 225907947 XGEMZORLJXXOEJ-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB Cc1c(F)cccc1NC(=O)COC(=O)c1ccccc1Cl 409195414 PSPDAAUGJPIXSF-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CC(C)C[C@@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1cccc1 575443327 LOPUMQCIXSEORH-PBHICJAKSA-N 324.428 3.829 0 40 DHAB O=C(NCc1cccs1)N1CCc2sc(Cl)cc2C1 575615782 HRKPPQPRBJHNNB-UHFFFAOYSA-N 312.847 3.731 0 40 DHAB Oc1cccc2sc(CNCc3noc4c3CCCC4)cc12 585136347 BEAYWLFKMYXGAK-UHFFFAOYSA-N 314.410 3.764 0 40 DHAB Fc1cccc(Oc2ccc(I)cn2)c1 685937704 PLJLIQJKHQYUKM-UHFFFAOYSA-N 315.085 3.618 0 40 DHAB Nc1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 192821 KAGIPMHZPFSVQY-UHFFFAOYSA-N 313.165 3.806 0 40 DHAB Cc1ccc(CSc2nnc(C3CCCCC3)n2N)cc1C 530195 JUBHIYMEJCJIRG-UHFFFAOYSA-N 316.474 3.949 0 40 DHAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1 904700 RZHUYMVTMZMVDE-UHFFFAOYSA-N 324.405 4.000 0 40 DHAB c1ccc([C@@H]2Sc3cccc[n+]3O[C@@H]2c2ccccc2)cc1 1264349 RRRKGNGJOTYDIV-MOPGFXCFSA-N 306.410 3.991 0 40 DHAB CCCOc1ccc(CC(=O)Nc2ccc(F)cc2)cc1OC 2117789 KVHVWISSJSEHHI-UHFFFAOYSA-N 317.360 3.804 0 40 DHAB Cc1cccc2sc(NC(=O)COc3cccc(F)c3)nc12 3558960 KQKZYLKYQINCNN-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB CCC1(CC)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 4308284 VKHPMROBMZNKEI-UHFFFAOYSA-N 315.200 3.604 0 40 DHAB O=C(c1oc2ccccc2c1COc1ccccc1)N1CCC1 5422800 PIXMPYVEHRLQEI-UHFFFAOYSA-N 307.349 3.858 0 40 DHAB O=C(NCc1ccccc1)c1ccc(COc2ccccc2)o1 5424053 ZCPGHTDOUQXEJL-UHFFFAOYSA-N 307.349 3.789 0 40 DHAB Cc1cc(C)c(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1 6053368 QFLRWKNWLGUDDG-XOKHGSTOSA-N 303.446 3.932 0 40 DHAB COc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1 6811372 AYRNNBNYVPZLDJ-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB CCNc1c(NC(=O)c2ccccc2C)c(=O)oc2ccccc12 6823353 IIEHCCGLQDFBLZ-UHFFFAOYSA-N 322.364 3.786 0 40 DHAB COc1cc(C)ccc1OCC(=O)Nc1ccccc1SC 7990139 IKFZPXZTQPTLHK-UHFFFAOYSA-N 317.410 3.743 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCSc2ccccc2)cc1 8041226 KVGPMLJPDCRNIK-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB O=C1COc2ccc(-c3csc(-c4ccsc4)n3)cc2N1 8102543 CJLKNPDJKWRYCY-UHFFFAOYSA-N 314.391 3.870 0 40 DHAB O=C(Nn1cnc2ccccc21)c1cc2c(F)cccc2s1 9155942 UENMYVNFPOHKAS-UHFFFAOYSA-N 311.341 3.774 0 40 DHAB C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)c1c[nH]c2ccccc12 9336793 DHPPIIDFYCDVJF-VIFPVBQESA-N 316.744 3.578 0 40 DHAB C[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 11767223 WBPGVNHLDOLDNI-OAHLLOKOSA-N 307.393 3.790 0 40 DHAB COCCSc1ncnc2c1sc1nc(C)c(C)cc12 12409341 ZJIOHLKXOHWNFD-UHFFFAOYSA-N 305.428 3.595 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1Cc2ccccc2O1 12553630 VICRDGMTEABPTL-ORAYPTAESA-N 321.376 3.956 0 40 DHAB CCOc1ccc(CN(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 12790893 MREWAITYZOABTC-PBHICJAKSA-N 304.434 3.805 0 40 DHAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc2C1 13709669 QBLCLNDWJTVJIE-CYBMUJFWSA-N 315.800 3.692 0 40 DHAB Cc1ccccc1CCNCc1cc2ccc(C)c(C)c2[nH]c1=O 13999708 HUODWFDEDOBLSL-UHFFFAOYSA-N 320.436 3.786 0 40 DHAB CCc1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 14183798 RLHPSTUQGBTDMP-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB Cc1cc(OS(=O)(=O)c2cccc(F)c2)ccc1Cl 16093522 OSNMLXZYDVKIMQ-UHFFFAOYSA-N 300.738 3.555 0 40 DHAB CN1CCCCC[C@@H]2N(C(=O)CC3CCCCC3)CC[C@@]21C 19713417 VTGUYMITJBJSAY-HKUYNNGSSA-N 306.494 3.822 0 40 DHAB Cc1noc2ncc(C(=O)NC[C@@H](c3ccccc3)C(C)C)cc12 27632260 HPFGUAFIMJXBEI-QGZVFWFLSA-N 323.396 3.701 0 40 DHAB CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 27793093 GRJACNMGYWJFSY-SFHVURJKSA-N 302.462 3.684 0 40 DHAB Cc1ccc2c(CC(=O)N3CCn4cccc4[C@@H]3C)coc2c1 30265629 GWHMAPVCNVOAKS-AWEZNQCLSA-N 308.381 3.689 0 40 DHAB Cc1cccc(CNC(=O)COc2ccc3ccccc3c2)c1 31058003 VRDPQKINILWNRQ-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB C[C@@H](Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1 32760984 VGGNRZCKXXYLPH-GFCCVEGCSA-N 309.394 3.749 0 40 DHAB Cc1nc(-c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)co1 32778172 DKAUNFULDJPPCM-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB Cc1nc(C)c(C(=O)Nc2ccnn2C2CCCCC2)s1 32969265 WCTDJXOJFXUOHC-UHFFFAOYSA-N 304.419 3.714 0 40 DHAB O=C(CCCc1cccs1)Oc1ccc2ccc(=O)oc2c1 32990807 VBFUHCLZWDISIZ-UHFFFAOYSA-N 314.362 3.783 0 40 DHAB CN1C(=S)N(C2CC2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1 33591608 DABPOQNHBGVVBM-PTNGSMBKSA-N 314.454 3.546 0 40 DHAB Cc1ccccc1CN1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 35446616 JWPGYGJQCVOMJR-HNNXBMFYSA-N 309.388 4.000 0 40 DHAB biogenic,in-vitro CC[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccsc2)no1 40466445 DNZFHZKJZNXIRL-CYBMUJFWSA-N 319.430 3.522 0 40 DHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 45054409 WWJMMPSEFNOTEJ-AWEZNQCLSA-N 323.371 3.845 0 40 DHAB Clc1snnc1CSc1nnc(C2CCCCC2)o1 48309197 PKTGSBWVKATDRX-UHFFFAOYSA-N 316.839 3.915 0 40 DHAB CCCOc1ccc([C@H](C)NC(=O)C2CCCC2)cc1OC 48324419 YQFUDMUCTFPZOY-ZDUSSCGKSA-N 305.418 3.851 0 40 DHAB COC1CCN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 48374709 YTJJOCAUTQXESB-NSHDSACASA-N 321.808 3.562 0 40 DHAB Cc1ccsc1CN(C(=O)NCc1ccncc1)C(C)C 69780087 FOQRBIUSSBJHAF-UHFFFAOYSA-N 303.431 3.572 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)cc1 69813032 VJWXWAQLYXZZJP-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB CC(C)(C)c1noc(C2(c3ccc(F)cc3)CCOCC2)n1 69966751 FPGDFQOTMGIYAJ-UHFFFAOYSA-N 304.365 3.603 0 40 DHAB Cc1c(Cl)cc(NC(=O)N2CCC(CO)CC2)cc1Cl 71832939 SNKRPFBYRJOPCZ-UHFFFAOYSA-N 317.216 3.538 0 40 DHAB C[C@@H](NC(=O)Nc1ccc(Oc2ncccn2)cc1)C(C)(C)C 71902332 CTCCAJFJIHBTAD-GFCCVEGCSA-N 314.389 3.825 0 40 DHAB CC(=O)N1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 72214293 SRAITYSBLGYUBK-SFHVURJKSA-N 309.413 3.923 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1cccnc1N1CCCCCC1 72216736 JJNZWRODKCTJQJ-QGZVFWFLSA-N 301.434 3.536 0 40 DHAB CCOCCNc1ccc2cc(Br)c(F)cc2n1 72307833 SSHDBNQNWKVYOU-UHFFFAOYSA-N 313.170 3.585 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2cc[nH]c2c1 72405223 YMCZQKFNEMIINE-UHFFFAOYSA-N 304.353 3.616 0 40 DHAB Cc1cc(=O)c(C(=O)N(Cc2ccsc2)c2ccccc2)c[nH]1 73247086 ZTWVLRZRNCPRTM-UHFFFAOYSA-N 324.405 3.592 0 40 DHAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2nccs2)cc1 76959064 CTZHQKRBFHXZRI-CABCVRRESA-N 300.427 3.686 0 40 DHAB CCOCc1cccc(N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 79030456 ACGPVOMQDYGDQV-CYBMUJFWSA-N 323.396 3.633 0 40 DHAB Cc1nnc([C@@H](C)N(C)Cc2cc(Cl)cc(Cl)c2)o1 79881415 KZLZAJMFQWXMCP-MRVPVSSYSA-N 300.189 3.878 0 40 DHAB O=C(CCCc1ncc(-c2ccccc2)o1)N1C[C@H]2CCC[C@@H]2C1 84562997 KXLLHACHRXZRPO-IAGOWNOFSA-N 324.424 3.923 0 40 DHAB O=C(O)CO[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F 95096395 QHSVLUUIRLQPND-VIFPVBQESA-N 303.063 3.698 0 40 DHAB CC[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccncc1 96437453 RBNZNWKSBPEURN-BLLLJJGKSA-N 301.365 3.732 0 40 DHAB CCOCc1ccc(CNCc2c[nH]nc2C(C)(C)C)cc1 97159358 XTRNKKFUABMMLK-UHFFFAOYSA-N 301.434 3.534 0 40 DHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113950415 MZOINQQNPFQCNL-LMSBXDPUSA-N 301.430 3.766 0 40 DHAB CC(=O)Nc1cc(NC2CCN(C(C)C)CC2)ccc1Cl 195557889 NWIPITYMIMPUMF-UHFFFAOYSA-N 309.841 3.583 0 40 DHAB O=C(COc1cccc2c1CCCC2)Nc1c(F)cccc1F 225173780 GCHGYQMXHPKXNN-UHFFFAOYSA-N 317.335 3.861 0 40 DHAB Cc1oc(C(C)C)cc1C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 581435702 HVWSWOPWHZSUPJ-LBPRGKRZSA-N 315.417 4.440 0 40 DHAB FC(F)(F)c1cc(N2CC3(CC(c4ccccc4)C3)C2)ncn1 1776000930 QDLOTPGANOLRMX-UHFFFAOYSA-N 319.330 3.879 0 40 DHAB CCOC(=O)[C@H](CC)Sc1ncnc2sc(C)c(C)c12 84931 KOZUMENWZGTFCI-JTQLQIEISA-N 310.444 3.742 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cccnc1SC 515913 QYGJYLAWSFFUIL-UHFFFAOYSA-N 308.790 3.718 0 40 DHAB CCC(=O)c1cn(CC(=O)N2CCCC[C@H]2C)c2ccccc12 560778 UPBANSBHNUDHBE-CQSZACIVSA-N 312.413 3.635 0 40 DHAB CCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 2459466 KGBOKJHTYLICFD-UHFFFAOYSA-N 318.467 3.691 0 40 DHAB COc1cccc(NC(=O)COc2cc(C)ccc2Cl)c1 2625623 XGSAIOJPBQLFSK-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB COc1cccc(NC(=S)N2CCC[C@H](C(F)(F)F)C2)c1 3388566 MVXXXWSECZUNBK-JTQLQIEISA-N 318.364 3.666 0 40 DHAB CC(C)c1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4079120 QTMNWJSUMDVCEP-UHFFFAOYSA-N 315.320 3.933 0 40 DHAB CCc1nnc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)s1 4274288 RAQYKYXMPNENPE-SNVBAGLBSA-N 307.444 3.528 0 40 DHAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccco2)N3)C1 4554032 DPERDGXWKFXBOX-AWEZNQCLSA-N 317.414 3.537 0 40 DHAB CC(C)CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 4704368 RTSDDNPJCQJJPA-UHFFFAOYSA-N 309.822 3.767 0 40 DHAB COc1ccc(-c2[nH]c3c(c2O)C(=O)CC(C)(C)C3)cc1F 4785104 RICOWNUSVXZUBA-UHFFFAOYSA-N 303.333 3.690 0 40 DHAB C[C@H](SC(=S)N1CCCC1)C(=O)c1c[nH]c2ccccc12 5287049 NAKHMNSHTUBPND-NSHDSACASA-N 318.467 3.853 0 40 DHAB O=C(Nc1cccc(N2CCCCC2=O)c1)C1CCCCC1 5441691 NGZGJOGODLGPTA-UHFFFAOYSA-N 300.402 3.722 0 40 DHAB Cc1ccc2c(c1)c1ncnc(N3C[C@@H](C)C[C@H](C)C3)c1n2C 5516082 KDEYWEUFWXMZLK-KBPBESRZSA-N 308.429 3.912 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cncc(Br)c1 5658546 MRDSWSCIHQEEGJ-UHFFFAOYSA-N 319.202 3.967 0 40 DHAB CC(=O)c1cn([C@@H](C)C(=O)NC2CCCCC2)c2ccccc12 6955837 QNKYUHGTWXTVGQ-ZDUSSCGKSA-N 312.413 3.854 0 40 DHAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 7200547 ZRDNPSDUUPCZLR-RDJZCZTQSA-N 311.429 3.526 0 40 DHAB Cc1cccc(CSc2nnnn2-c2cc(C)ccc2C)c1 7591453 PZQLPMOPJGAMQL-UHFFFAOYSA-N 310.426 3.880 0 40 DHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1Cc2ccccc2O1 9364947 KUTUDZZVALDLKE-MRXNPFEDSA-N 322.389 3.752 0 40 DHAB CCCCC(=O)Nc1nnc(CCCc2ccccc2)s1 9668487 IAXNCYFHTZOLOF-UHFFFAOYSA-N 303.431 3.842 0 40 DHAB CCOc1ccccc1CCCNC(=O)c1ccc(F)cc1 10110849 XVGCAGRFAAAKJX-UHFFFAOYSA-N 301.361 3.587 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccccc2C(C)(C)C)C1 12170269 VMQLBGCPIVMCQJ-IXDOHACOSA-N 319.489 3.702 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 13669172 VJCPZMYHKDZHBI-HNNXBMFYSA-N 303.427 3.651 0 40 DHAB CCCc1cc(O)nc(S[C@H](C)C(=O)c2ccc(C)cc2)n1 14092670 UWUBSIUMQJGYOK-GFCCVEGCSA-N 316.426 3.807 0 40 DHAB Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 15860009 QQUCCLBCZXNQNG-QGZVFWFLSA-N 312.413 3.545 0 40 DHAB COc1cccc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 17069968 PSXFEMKGBHTEJC-GFCCVEGCSA-N 318.804 3.909 0 40 DHAB Cc1ccccc1C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 17208734 RGOZBNLLIDZQFB-UHFFFAOYSA-N 307.392 3.885 0 40 DHAB Cc1nc(-n2cccc2)sc1C(=O)NCCC1=CCCCC1 20865669 JYWBPUVMTVVDGE-UHFFFAOYSA-N 315.442 3.863 0 40 DHAB CC(C)N1CCC(CNC(=O)Cc2cccc3ccccc23)CC1 23127909 NHABSOROWPPMOK-UHFFFAOYSA-N 324.468 3.619 0 40 DHAB O=C(CCC1CCCC1)Nc1cnn(Cc2cccc(F)c2)c1 28303680 LFNDREUISJEYHM-UHFFFAOYSA-N 315.392 3.979 0 40 DHAB C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccc(F)cc1 28927418 HQIIYRGIWBSEEE-LBPRGKRZSA-N 309.344 3.707 0 40 DHAB CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@@H]1CCCc2ccccc21 29473970 CZRCHQBIXSUHEJ-MJGOQNOKSA-N 307.393 3.526 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Nc1ccc(F)cc1 40161223 FLXSKXIESSGQLQ-GJZGRUSLSA-N 314.404 3.764 0 40 DHAB CC(C)(C)OC(=O)N1CCCC2(CN(Cc3ccccc3)C2)C1 40449922 QBDMXAWIOLJMAS-UHFFFAOYSA-N 316.445 3.520 0 40 DHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2C)c(C)c1 41091179 VIBSUYJVDIAIEG-UHFFFAOYSA-N 307.390 3.860 0 40 DHAB Clc1ccc(OCCC2CCNCC2)c(Br)c1 42772915 XDLDEHLWNMTLSA-UHFFFAOYSA-N 318.642 3.871 0 40 DHAB COCCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(C)o1 43724029 HHCPOOVOMHUQID-ZDUSSCGKSA-N 322.430 3.569 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(NC(=O)C2CC2)c1 44103349 UEDRZWHMLQNGIU-MLGOLLRUSA-N 315.417 3.735 0 40 DHAB Cc1ccc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)s1 49071479 JDIZYFXOWTZPGF-UHFFFAOYSA-N 311.410 3.547 0 40 DHAB O[C@H]1CCCC[C@@H]1NCc1ccc(SC(F)(F)F)cc1 51991163 UDBLNKWMZORIJP-STQMWFEESA-N 305.365 3.692 0 40 DHAB Cn1c([C@H]2CCCCN2C(=O)c2ccco2)nc2ccccc21 54666080 TXQFCGPZZQWXID-OAHLLOKOSA-N 309.369 3.534 0 40 DHAB CCOC(=O)c1[nH]cc(C(=O)c2ccc3ccccc3c2)c1C 62709353 HJWWTTFEOLYHAA-UHFFFAOYSA-N 307.349 3.884 0 40 DHAB OC1=C(C2=NCCN2)CC/C1=C\c1ccc(Cl)cc1Cl 62716153 ANGZJOJQVYYTMV-JXMROGBWSA-N 309.196 3.984 0 40 DHAB CC(C)(C)CN(CC(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1cccnc1 71894147 JNICYNLABXSHNO-CHWSQXEVSA-N 314.351 3.622 0 40 DHAB COC[C@H](NC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(C)C 72295796 PRXGYLBKCGQIFD-KRWDZBQOSA-N 302.418 3.692 0 40 DHAB CC(C)(C)n1cc(CNCc2ccccc2N2CCCC2)cn1 78552881 HVVFKMNDLIBSEJ-UHFFFAOYSA-N 312.461 3.528 0 40 DHAB C[C@@H](Nc1ccnc(-c2ccccc2)n1)[C@@H](O)c1ccc(F)cc1 78620082 PWFXCELWXLVACJ-FZKQIMNGSA-N 323.371 3.817 0 40 DHAB O=C(NCc1ccc2c(c1)CCC2)[C@@H]1C[C@H]1c1cccc(F)c1 84372162 SIJMNEZUZFNHBQ-RBUKOAKNSA-N 309.384 3.734 0 40 DHAB c1cc(CN2CCC[C@@H](c3cn[nH]c3)C2)cc(-c2ccncc2)c1 92809863 SNBUGIVIYIUGLU-LJQANCHMSA-N 318.424 3.851 0 40 DHAB C[C@H]1C[C@@H](Nc2ccc(OCc3ccco3)c(Cl)c2)C(=O)O1 95395934 FFMRXFYGNQTBRU-IINYFYTJSA-N 321.760 3.628 0 40 DHAB Cn1cc(NC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cn1 96008067 UGPZCFDAJWNWFO-UHFFFAOYSA-N 324.331 3.520 0 40 DHAB CO[C@@H](CNC(=O)c1ccccc1Cl)c1ccccc1C 96104939 NESUZQOAIATLOK-INIZCTEOSA-N 303.789 3.766 0 40 DHAB CC[C@@](C)(NC(=O)CSC(C)(C)C)c1nc(C)cs1 96423348 KNYSEZKFZUYSFH-CQSZACIVSA-N 300.493 3.725 0 40 DHAB CC(C)c1nc([C@H](C)NC2CCN(CC(F)F)CC2)cs1 97033770 QTPRWRVHEOCYGA-NSHDSACASA-N 317.449 3.647 0 40 DHAB Cc1nc(C(=O)N2C[C@H](C)S[C@H](C)C2)c(-c2ccccc2)o1 97376100 IFRAZDPICQUMFB-TXEJJXNPSA-N 316.426 3.616 0 40 DHAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)CCCC1=N2 102670506 XPFCKOOCCLWQRQ-OAHLLOKOSA-N 316.311 3.536 0 40 DHAB C[C@H](NC(=O)OC(C)(C)C)c1nc(C2CCOCC2)cs1 193745451 YAGDGSYJZIRJAD-JTQLQIEISA-N 312.435 3.623 0 40 DHAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccc(C)cc2)c1 216898142 QKICHLYKERKSNW-PKNBQFBNSA-N 312.365 3.769 0 40 DHAB CC(C)c1ccccc1OCCNC(=O)Cc1ccccc1F 223836217 FJHMOUYGKGAMIU-UHFFFAOYSA-N 315.388 3.687 0 40 DHAB COc1ccc([C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1 225705703 DFBDQVQSPMDGBS-LBPRGKRZSA-N 303.789 3.769 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 225778484 CFGSKLFXCUVBPS-UXLLHSPISA-N 301.430 3.802 0 40 DHAB COc1ccc(OC)c(NC(=O)c2conc2-c2ccccc2)c1 225871590 SHRBJXWSBKFGDY-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c(C)n1 225902382 COVGVBBLCZPRQP-GOSISDBHSA-N 320.433 3.713 0 40 DHAB CCc1ccc(NC(=O)CCc2c(OC)cccc2OC)cc1 225993999 QQENGQGFKBCBKM-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1cccc(C(F)(F)F)c1 226324160 ORRDNMWUSGFQLU-UHFFFAOYSA-N 323.318 3.606 0 40 DHAB COc1cccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(C)cc2)c1 248112804 TVZOUAFEWGWMPV-RBUKOAKNSA-N 322.408 3.513 0 40 DHAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CC[C@@H](CF)C1 881678332 XTNHXHKZFVHOFE-NSHDSACASA-N 322.380 3.689 0 40 DHAB O=C(NCc1ccc(C2CC2)nc1)c1ccc(-n2cccc2)cc1 1565523388 MPPSYTNUWLOVSA-UHFFFAOYSA-N 317.392 3.680 0 40 DHAB CC(C)C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615529453 JWRNCFKSMFWXDO-PBHICJAKSA-N 318.436 3.688 0 40 DHAB CSc1ccc([C@H](O)CNc2nc3ccccc3o2)cc1 1775970233 IOXZKEMHUKLHEO-CQSZACIVSA-N 300.383 3.695 0 40 DHAB Cc1c(O[C@H](C)C(=O)O)cccc1C(=O)c1ccc(Cl)cc1 433 JQYJAGNNCNBFRM-LLVKDONJSA-N 318.756 3.731 0 40 DHAB in-man Cc1ccc2cccc(OC(=O)c3ccc4c(c3)OCCO4)c2n1 238170 OGUUUXPDVRKQID-UHFFFAOYSA-N 321.332 3.534 0 40 DHAB CCOC(=O)CSc1nc2ccc(OCC)cc2cc1C 420931 NFOIYOGSXZJVLH-UHFFFAOYSA-N 305.399 3.597 0 40 DHAB CCc1ccccc1NC(=O)/C=C/c1c(OC)cccc1OC 574330 XUEOVGWYZCKIMM-OUKQBFOZSA-N 311.381 3.918 0 40 DHAB O=C(NC/C=C/Br)Oc1cccc2ccccc12 1697822 YBQHXZYFNQJVSL-RUDMXATFSA-N 306.159 3.837 0 40 DHAB O=C(O)CCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2242953 IKUWPJFEZLVXPR-UHFFFAOYSA-N 314.181 3.772 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCCc1cccc(Cl)c1 2742747 UETPWCDDBAMBEA-UHFFFAOYSA-N 308.208 3.895 0 40 DHAB Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(F)cc1 3128606 MGQCVVPFYUSVHA-UHFFFAOYSA-N 323.367 3.923 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](NC(C)C)c2ccccc2)c1 3327452 ZVCFTISUVIHEQX-SFHVURJKSA-N 310.397 3.567 0 40 DHAB Cc1cc(C)cc(OCC(=O)NCc2ccccc2Cl)c1 3434666 DPBUDGYQPGYSHC-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1 3442999 KXAYDKXPMVBHOD-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB COc1ccc(Br)c(C(=O)NC2CCCCC2)c1 3523362 FMLCXEUOJPYARB-UHFFFAOYSA-N 312.207 3.520 0 40 DHAB COc1cccc(CC(=O)Nc2cc(Cl)ccc2OC)c1 3549950 QWKGPBDASHIVGB-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(C)C 4033055 AMLFEEIOVIRPGA-UHFFFAOYSA-N 308.385 3.689 0 40 DHAB O=C(O)[C@@H](Nc1ncnc2c1oc1ccccc12)c1ccccc1 5144261 WTPZBJWEILWBGY-AWEZNQCLSA-N 319.320 3.614 0 40 DHAB COc1ccc2[nH]c(C(=O)N(C)C3CCCCC3)c(C)c2c1 5345752 XIUONYYBMLKZLS-UHFFFAOYSA-N 300.402 3.890 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1 5610833 KJVNEWAKZITXLO-UHFFFAOYSA-N 305.333 3.583 0 40 DHAB CCOc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1 6550733 KGCSMBGAFKIILC-UHFFFAOYSA-N 319.401 3.839 0 40 DHAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccco3)s2)cc1 6669546 YGMWHQAKRLRSJR-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCCC1 7377516 BKBDTSAMMFCMSB-JTQLQIEISA-N 301.217 3.806 0 40 DHAB C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(Cl)cn1 7483824 XWRZUTGBSDSDEH-LLVKDONJSA-N 324.808 3.576 0 40 DHAB COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1 8683197 FXZNHTKAOTUVHO-UHFFFAOYSA-N 316.411 3.509 0 40 DHAB COc1ccc(C2(NCc3cc4c(cc3C)OCO4)CC2)cc1 12361913 USKZDGUGGYTQCK-UHFFFAOYSA-N 311.381 3.511 0 40 DHAB C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1c(F)cccc1F 12538996 CYGCKLVKPVTHNW-SECBINFHSA-N 323.368 3.616 0 40 DHAB C[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc23)CCO1 12899018 QBGZOUCGRDFLDS-GFCCVEGCSA-N 311.410 3.583 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1 14180846 FMDZOGGWEQIMIP-FMIVXFBMSA-N 322.408 3.657 0 40 DHAB O=C(OCc1ccccn1)c1cccnc1Oc1ccccc1 14897496 XFDOSXGXVZHTJR-UHFFFAOYSA-N 306.321 3.626 0 40 DHAB Cc1ccc(CN(C)CC(=O)NCCC2=CCCCC2)c(C)c1 15308758 OTPKDBKXMGZAIN-UHFFFAOYSA-N 314.473 3.742 0 40 DHAB O=c1c(Cl)c(N2CCc3ccccc32)cnn1-c1ccccc1 15346376 OJGCBYCRQXOGEC-UHFFFAOYSA-N 323.783 3.580 0 40 DHAB CC(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 15628520 RWIIZMSHWFOBPZ-UHFFFAOYSA-N 322.412 3.817 0 40 DHAB Cc1cc(S(=O)(=O)NC2CCCCCC2)c(C)c(C)c1C 16780114 GGGWMZIBWXQAOC-UHFFFAOYSA-N 309.475 3.921 0 40 DHAB Cc1nc(C)c(C(=O)OCc2cc(-c3cccs3)on2)s1 18358090 YRCQZZWNHYVNAM-UHFFFAOYSA-N 320.395 3.833 0 40 DHAB CC(C)(C)c1ccc2c(c1)O[C@](N)(C(Cl)(Cl)Cl)O2 19314145 MRCKVZPVLJSTCC-LBPRGKRZSA-N 310.608 3.738 0 40 DHAB CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 20107411 MVXBYZAINQZIBY-AWEZNQCLSA-N 313.397 3.975 0 40 DHAB CCCCC(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 20609939 TZKGMRUSPRNWCS-UHFFFAOYSA-N 308.385 3.858 0 40 DHAB Cc1cc(Br)ccc1Nc1ncccc1C(=O)O 21520606 WWTQUNFRGSHJQF-UHFFFAOYSA-N 307.147 3.594 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2ccco2)N2CCCCC2)cc1 27581750 UVGKCTGQNQDXEZ-KRWDZBQOSA-N 312.413 3.545 0 40 DHAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1ccco1 27989318 QEZLFSBTYMWHTC-CQSZACIVSA-N 318.442 3.688 0 40 DHAB COP(=O)(OC)[C@H](/C=C(\Cl)c1ccc(C)cc1)N(C)C 32237376 DHUGUSHZSVRSKS-QLKUMGTLSA-N 317.753 3.948 0 40 DHAB O=C(NOCc1ccccc1)N[C@@H]1CCSc2ccccc21 32795278 KTMUHUCSELSNQO-OAHLLOKOSA-N 314.410 3.655 0 40 DHAB CC(C)c1ccc(-n2nc3oc4cc(O)ccc4cc-3c2=O)cc1 33020968 PWZOVZGHCPKJKP-UHFFFAOYSA-N 320.348 3.913 0 40 DHAB CC(C)=CCC/C(C)=C/CC/C(C)=C\[C@H](O)P(=O)(O)O 38315282 MONZTFSZTWQCKH-WVTFAKGBSA-N 302.351 3.902 0 40 DHAB Fc1ccc(C2=C[C@@H](c3ccc(F)cc3)NC(=S)N2)cc1 51329838 FJTBHCRDQBCHIF-AWEZNQCLSA-N 302.349 3.525 0 40 DHAB COc1cc(NC(=O)Nc2cc(F)ccc2F)cc(OC)c1 51354401 RFCMJCHSJDXDCI-UHFFFAOYSA-N 308.284 3.626 0 40 DHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CC(C)(C)C 60847805 RLPJXNQNQYXKHE-WBVHZDCISA-N 300.446 3.566 0 40 DHAB COc1ccc(CCCNC(=O)Cc2cccc(Cl)c2)cc1 67818226 LAVWZKUAOUFOCJ-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB CN1CCC(Nc2ccccc2NC(=O)c2cccs2)CC1 69570184 YSFULVZMNHTJLF-UHFFFAOYSA-N 315.442 3.507 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1C 71796717 BAZLMZOEQBZFAC-GBESFXJTSA-N 323.440 3.504 0 40 DHAB CCn1c(SCCc2ccccc2)nnc1-c1ccncc1 75331261 HYEDMWGMVZBMQE-UHFFFAOYSA-N 310.426 3.695 0 40 DHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc2ncccc12 76384555 WBCBAEOIIPKXRC-KSSFIOAISA-N 312.413 3.560 0 40 DHAB CCn1cnnc1-c1cccc(NC(=O)c2cc(F)ccc2C)c1 78454908 RJVIFIDECVAYNR-UHFFFAOYSA-N 324.359 3.665 0 40 DHAB Cc1nccc(C(=O)N(C)c2ccccc2Oc2ccccc2)n1 79336504 QETYBSZNYFTVEY-UHFFFAOYSA-N 319.364 3.854 0 40 DHAB CN(Cc1cscn1)C(=O)c1ccc(OC(C)(C)C)cc1 79439510 BTRVRMCXFUUSLZ-UHFFFAOYSA-N 304.415 3.593 0 40 DHAB CC(=O)Nc1c(C)ccc(NCCCOCC(F)(F)F)c1C 86202655 KGPLXRZNGUACPH-UHFFFAOYSA-N 318.339 3.643 0 40 DHAB CCc1ccsc1C(=O)Nc1cnn(-c2ccccc2F)c1 88232179 SDTGBYAJPGGDFR-UHFFFAOYSA-N 315.373 3.888 0 40 DHAB CC(C)(C)[S@](=O)CCNCc1cc(Cl)cc2cccnc12 89694428 DPQOLIFDGCBXSD-NRFANRHFSA-N 324.877 3.525 0 40 DHAB Cc1cc(-c2noc([C@@H]3CCCCN3)n2)cc(C)c1OC(C)C 95095401 OUQOQKHALJADRV-HNNXBMFYSA-N 315.417 3.955 0 40 DHAB CCCC[C@@H](CC)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 95350383 BXFUJECZVYCZDB-AUUYWEPGSA-N 314.429 3.596 0 40 DHAB C[C@H]1OCC[C@H]1NCc1ccccc1-c1ccc(CN(C)C)cc1 95431674 SYGSCHKZLMANNY-IIBYNOLFSA-N 324.468 3.682 0 40 DHAB CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(C(C)(C)C)cc2)C1 95752101 YIWWHBLNPHYESE-MRXNPFEDSA-N 318.461 3.866 0 40 DHAB CO[C@H](CNC(=O)c1cccc(Cl)c1)c1cccc(F)c1 96388006 QFKWARWUTBQZQP-OAHLLOKOSA-N 307.752 3.597 0 40 DHAB CC[C@@H](NC(=O)Nc1cc(F)c(OC)c(F)c1)c1ccncc1 96434179 POARGWWRCQNQKU-CQSZACIVSA-N 321.327 3.641 0 40 DHAB C[C@H](C(=O)N(Cc1cccs1)C1CC1)[C@@H](N)c1ccccc1 96467581 AWRBBEVNXAUPRZ-SUMWQHHRSA-N 314.454 3.575 0 40 DHAB CCO[C@H]1C[C@@H](NCc2nc3ccccc3o2)C1(CC)CC 97164319 LLMUKIKUYXFHMS-CVEARBPZSA-N 302.418 3.901 0 40 DHAB C[C@H]1CCCN([C@H](C)CNC(=O)Nc2ccccc2Cl)C1 105673405 NUMRBBIMQWTPNK-QWHCGFSZSA-N 309.841 3.582 0 40 DHAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1F 126144523 ITPUWOSWYBACKV-UHFFFAOYSA-N 307.752 3.760 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1ccccc1 216495513 IMIIEBADMUKXRV-GOSISDBHSA-N 313.397 3.511 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 224295988 VSSGGLGEASWYKF-OAHLLOKOSA-N 313.397 3.856 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2cccc(F)c2)c(C)c1 224957959 FDDYDXJGCKYVIP-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB COc1cccc([C@H](O)c2ccc3c(c2)OCC(C)(C)CO3)c1 225357052 NOROUHZBORNQLP-SFHVURJKSA-N 314.381 3.574 0 40 DHAB O=C(Cc1cccs1)NCc1ccnc(-c2cccs2)c1 225650077 PKPSHJVHEBJBSB-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB CCCS(=O)(=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1 225658456 ZWYUGCOGSUJNHP-AWEZNQCLSA-N 315.866 3.649 0 40 DHAB CCC1(NC(=S)Nc2ccc(OC)cc2OC)CCCC1 225848989 BNMGFHZHFXGLDO-UHFFFAOYSA-N 308.447 3.713 0 40 DHAB O=C(O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 247352698 CLXDJBAJUMQHKI-KRWDZBQOSA-N 321.376 3.828 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)C1 253476767 BGMMDRMBSMZBJT-ZJNNMKFESA-N 323.521 3.557 0 40 DHAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257204581 AVHPWHNSLSOEDS-FXJWEYNDSA-N 319.420 3.987 0 40 DHAB O=C(c1ccc(Br)s1)C(F)(F)Br 306901114 NCCLRSIHCXEVRK-UHFFFAOYSA-N 319.952 3.681 0 40 DHAB Cc1cc(O)cc(=O)n1CC[C@@H](Cc1ccccc1)c1ccco1 1547139394 PFLHPVRBWNKYEJ-KRWDZBQOSA-N 323.392 3.872 0 40 DHAB FC(F)(F)c1cccc(OCC2CCN(CC3CC3)CC2)n1 1775995360 PZPYRNGVWKFRPV-UHFFFAOYSA-N 314.351 3.601 0 40 DHAB COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)C[C@@H]12 22837 MABBDZWYIBJBFO-QRQLOZEOSA-N 316.397 3.519 0 40 DHAB COc1cccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c1 430386 YMLADJNCOIDUPY-GDNBJRDFSA-N 313.740 3.693 0 40 DHAB Cc1ccccc1OCC(=O)OCc1c(F)cccc1Cl 559144 JAEIUKOKHXCHAG-UHFFFAOYSA-N 308.736 3.910 0 40 DHAB COc1ccccc1CNC(=O)[C@@H](C)SCc1ccccc1 566374 DNHAWHNCFHBVFM-CQSZACIVSA-N 315.438 3.633 0 40 DHAB CC[C@@H](C)c1ccc(C(=O)COc2ccccc2C(N)=O)cc1 2629359 QLKPOHKJLWNZTJ-CYBMUJFWSA-N 311.381 3.561 0 40 DHAB COC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 3897522 HTOJAFYOXFUNPA-UHFFFAOYSA-N 304.733 3.771 0 40 DHAB O=C(CN1CCCc2ccccc21)Nc1ccccc1Cl 6080191 ZAJRBMSEUCDEBX-UHFFFAOYSA-N 300.789 3.731 0 40 DHAB CSc1cccc(NC(=O)COc2cccc3cccnc23)c1 6128022 GXSILUFZSUOUHZ-UHFFFAOYSA-N 324.405 3.974 0 40 DHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 6226781 LJANJGCDCZIOID-NCQICXCDSA-N 319.832 3.507 0 40 DHAB COc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 6493796 DRDGYCFFJKXYEA-UHFFFAOYSA-N 312.394 3.855 0 40 DHAB Cc1cc(C)c2c(n1)sc1c(NCc3cccnc3)ncnc12 6719338 ZPLFFOPAPTVGRU-UHFFFAOYSA-N 321.409 3.863 0 40 DHAB CSc1ccc(Cl)c(C(=O)N[C@H](C)c2ccncc2)c1 7183997 HTPDUOCOTMBPPO-SNVBAGLBSA-N 306.818 3.948 0 40 DHAB Ic1ccccc1CNC1CCCCC1 7736211 FJIUFGQFCLZJOQ-UHFFFAOYSA-N 315.198 3.714 0 40 DHAB O=C(NCc1ccncc1)c1ccccc1OCc1ccccc1 7986487 GIOBGCNOSDVISD-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CCCNC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 8734184 VVOTUENMCRYSIL-UHFFFAOYSA-N 310.806 3.613 0 40 DHAB O=C(NOCc1ccccc1)C1(c2ccc(Cl)cc2)CC1 8982877 UKEMNQDEMLDOBU-UHFFFAOYSA-N 301.773 3.620 0 40 DHAB O=C(Nc1nnc(-c2ccco2)s1)c1cccc(Cl)c1 9087306 NUTONGQPDRSGFC-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB C/C=C/c1cc(C(=O)Nc2ncccc2C)cc(OC)c1OC 9118336 XJMZBSGJJIMHCP-FNORWQNLSA-N 312.369 3.693 0 40 DHAB COc1ccc(NC(=O)/C=C/c2ccc(C)s2)c(OC)c1 9643739 BFBQSRHUJWGUPA-VQHVLOKHSA-N 303.383 3.726 0 40 DHAB COc1ccc(NC(=O)CCC(=O)c2ccc(C)s2)cc1 10029718 FZRVKWRGKLNDQX-UHFFFAOYSA-N 303.383 3.667 0 40 DHAB CC[C@@H](C)NC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)CC)c1 10036561 BVJQSIPGIHWZLD-CHWSQXEVSA-N 320.437 3.835 0 40 DHAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccccc1Cl 10677494 OVZRQAVIFBTRBN-MRXNPFEDSA-N 321.829 3.770 0 40 DHAB Cc1cc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)ccc1Cl 11847322 HWEKXNATKPHZJB-RBSFLKMASA-N 311.853 3.651 0 40 DHAB COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2ccccn2)c1 12085264 YBKLQPLDFPGHIL-XAUMDUMWSA-N 324.424 3.522 0 40 DHAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2cccnc2)cc1 12085384 AWCDBPOHAKXSBK-FUHIMQAGSA-N 324.424 3.522 0 40 DHAB CN(C)c1ccc(-c2nc3cnccn3c2NC(C)(C)C)cc1 12113811 VDASWTIKNSISHK-UHFFFAOYSA-N 309.417 3.673 0 40 DHAB CCCCOc1ccc(C(=O)NCc2cccs2)cc1OC 12758980 XVWGVVGBNZEYDE-UHFFFAOYSA-N 319.426 3.866 0 40 DHAB C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)c1ccccc1 12868708 ONSWYFXLDRWKGH-SECBINFHSA-N 324.163 3.817 0 40 DHAB CCOc1cccc(C(=O)N(Cc2ccco2)c2ccccn2)c1 15669847 YQYBXZYYQWAGGY-UHFFFAOYSA-N 322.364 3.920 0 40 DHAB COc1ccc(CN2C(=O)CS[C@H]2c2ccccc2F)cc1 19927306 ZMPWUKBCFVFIMZ-KRWDZBQOSA-N 317.385 3.609 0 40 DHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)c2ccccc12 20247820 NCCSVEACSMWHAL-UHFFFAOYSA-N 317.344 3.645 0 40 DHAB CC(C)(C)C(=O)N1CCN(Cc2cccc3ccccc23)CC1 20312915 OVTMURFBMGODRJ-UHFFFAOYSA-N 310.441 3.530 0 40 DHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(C)c(C)c1 21299618 DJBODTCDCWDELI-OAHLLOKOSA-N 320.392 3.757 0 40 DHAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 21559661 HAVRDEZSFHBDDS-QGZVFWFLSA-N 324.424 3.710 0 40 DHAB C[C@H](Nc1ccc2c(c1)CCO2)c1nc(-c2cccs2)no1 26995335 ZLNRYBZEAINURK-JTQLQIEISA-N 313.382 3.906 0 40 DHAB CNC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 27036868 JPXMNJLBQYGMMQ-UHFFFAOYSA-N 324.163 3.572 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CN(C)[C@@H](C)C(C)(C)C)cc1C 27134462 NXNUNTBCTJCGTI-CVEARBPZSA-N 304.478 3.847 0 40 DHAB CCCOc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 27663661 JKHLQMPACBRCQQ-UHFFFAOYSA-N 318.398 3.695 0 40 DHAB CC(C)c1ccc(OCC(=O)N2CCOC23CCCCC3)cc1 28293082 PGHFJWUFAUJNCD-UHFFFAOYSA-N 317.429 3.708 0 40 DHAB O=C(Nc1cccc2c1CCCC2)c1cc(-c2cccnc2)on1 33250618 OWUKXYFHLBNKBF-UHFFFAOYSA-N 319.364 3.868 0 40 DHAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1NC1CCCC1 35479399 PNGTZVGPWOEXFR-UHFFFAOYSA-N 313.401 3.778 0 40 DHAB Cc1cc(NC(=O)c2cc3occc3n2Cc2ccccc2)no1 36354263 GELGXJMQSZUEQI-UHFFFAOYSA-N 321.336 3.831 0 40 DHAB CCCCOc1ccc(CCNC(=O)c2ccc(C)nc2)cc1 40122380 QDMSAWBLNGITSZ-UHFFFAOYSA-N 312.413 3.541 0 40 DHAB Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 48655927 KMFWEKJCGDJKFT-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C)c1cccnc1 57030744 KANXXTMBVVOREA-GDBMZVCRSA-N 324.424 3.778 0 40 DHAB O=C(NCc1ccco1)Nc1cccnc1Oc1ccccc1 58158303 ZMMUKSQXHKBPSR-UHFFFAOYSA-N 309.325 3.789 0 40 DHAB COc1ncccc1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 60205365 VFCBIXJWXARGJZ-INIZCTEOSA-N 310.397 3.633 0 40 DHAB CCC[C@H]1CCCN(C(=O)c2cc3c(C)nn(C)c3s2)CC1 65513939 KCQREMQGOYAIJS-ZDUSSCGKSA-N 319.474 3.986 0 40 DHAB Cc1ccoc1-c1nnc(CN(C)Cc2sccc2C)o1 65592273 MBNBPMWCJULDLI-UHFFFAOYSA-N 303.387 3.640 0 40 DHAB COc1cc(CSc2nncn2C2CC2)ccc1SC 68045043 VVAYBQHWJQECLY-UHFFFAOYSA-N 307.444 3.636 0 40 DHAB O=C(CCC1CCCCC1)N1CCC(Nc2cccnc2)CC1 69453114 IIEVQESQRWFOMT-UHFFFAOYSA-N 315.461 3.845 0 40 DHAB CCCCS(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 69455185 CRQWTVMOPVUJDB-UHFFFAOYSA-N 313.419 3.664 0 40 DHAB Cc1cc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)no1 69515744 AWPIHYBZHKSHCW-ZDUSSCGKSA-N 323.352 3.770 0 40 DHAB O=C(c1ncoc1-c1cccs1)N1CC[C@H]2CCCC[C@@H]21 69670248 BQOIKFAFYOZFIW-NEPJUHHUSA-N 302.399 3.808 0 40 DHAB Fc1cccc(C2(c3nc(C4CCCC4)no3)CCOCC2)c1 69951950 SUVLLKYYQIQHAO-UHFFFAOYSA-N 316.376 3.963 0 40 DHAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)C2 71818763 UQYOUMNQGQJWAL-RDJZCZTQSA-N 312.438 3.704 0 40 DHAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1cccnc1 96451163 GMBPPORUHZHZLA-CYBMUJFWSA-N 308.337 3.958 0 40 DHAB C[C@H](CC(=O)c1cccs1)NC(=O)C1CCC(F)(F)CC1 96487249 OUWBGSKYEWUPMI-SNVBAGLBSA-N 315.385 3.651 0 40 DHAB CCOc1ncccc1-c1nnc(Cc2ccc(Cl)cc2)o1 216616413 SILNNPSOAVAOII-UHFFFAOYSA-N 315.760 3.775 0 40 DHAB Cc1nc(NC(=S)NCc2ccco2)c(Cl)cc1Cl 223900465 KFJBWOUZIKEQTA-UHFFFAOYSA-N 316.213 3.776 0 40 DHAB CCOc1ccc(C(=O)NCC(C)C)cc1COCC(C)C 224733920 OYBDDLJMUCGJTN-UHFFFAOYSA-N 307.434 3.644 0 40 DHAB CCOC(=O)c1cccc(NC(=O)c2cccc(F)c2)c1C 224957834 VYVICIJWDDBTMI-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB O=C(c1snnc1-c1ccc(Cl)cc1)N1CCCCCC1 225771089 AIQKSYNCQWYGOV-UHFFFAOYSA-N 321.833 3.875 0 40 DHAB CC(C)(C)c1ccc2c(c1)[C@H]1O[C@H]3CCN[C@H]3C[C@@H]1C(C)(C)O2 257209890 BSHJMZPPWRVUKN-UOVPBQLFSA-N 315.457 3.963 0 40 DHAB C/C(O)=C1\C[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 390822404 TUGDEWADZKLGJL-IGPVLCEISA-N 322.408 3.649 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(OC(F)(F)F)c(F)c1 575360896 RHGSUMFMIGNYNY-UHFFFAOYSA-N 322.254 3.640 0 40 DHAB CC(C)C[C@@H](C(=O)NC1CC(C)(C)NC(C)(C)C1)n1cccc1 575443177 MXKHQRHVIJGLAC-INIZCTEOSA-N 319.493 3.501 0 40 DHAB CC(C)c1ccc(CN2CCC[C@]3(CCC(=O)N3C)CC2)cc1 585100058 DMNCDFGRNQTLRG-FQEVSTJZSA-N 314.473 3.787 0 40 DHAB O=C(Nc1ccc(NCc2ccon2)cc1)N1CCCCCC1 585140917 LIROUAUPIZOFMV-UHFFFAOYSA-N 314.389 3.695 0 40 DHAB COc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 35616 MBPTYMXDDQFXDI-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB CC1=NN(C(=S)c2ccc(C)cc2)[C@](C)(O)[C@H]1CC(C)C 133923 MXJQIHAUIOISPO-DOTOQJQBSA-N 304.459 3.733 0 40 DHAB COc1ccc2[nH]c3c(NCc4ccccc4)ncnc3c2c1 327038 PWJADDHEMZGOSQ-UHFFFAOYSA-N 304.353 3.732 0 40 DHAB O=C(Nc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 386707 FPIDEIVDMUBZSS-UHFFFAOYSA-N 315.804 3.694 0 40 DHAB O=c1c2ccc(Cl)cc2[nH]c(=S)n1CCc1ccccc1 425263 DIUZPNITKSZUOY-UHFFFAOYSA-N 316.813 3.955 0 40 DHAB Brc1cc2c(cc1C1SCCS1)OCO2 1630476 SRCWKQMODRURGL-UHFFFAOYSA-N 305.218 3.656 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)cc2)cc1 1977359 SIGJTQVBHFOZGU-CQSZACIVSA-N 311.381 3.741 0 40 DHAB CCCCCC(=O)NC(=S)Nc1ccc(F)c(Cl)c1 2145476 QKRSJCOOLIDDPR-UHFFFAOYSA-N 302.802 3.872 0 40 DHAB Oc1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1 2440774 XNLAUPBGVJGJPG-UHFFFAOYSA-N 322.393 3.590 0 40 DHAB CCCC[C@@]1(c2ccccc2)NC(=S)N(c2ccccc2)N1 2945366 CLFIQYANMBHRKN-GOSISDBHSA-N 311.454 3.929 0 40 DHAB Cc1ccc2nc(NC(=O)CNc3ccc(F)cc3)sc2c1 3221524 MFOAJPWXPGPEAR-UHFFFAOYSA-N 315.373 3.794 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)CSc1ncccn1 3474870 HZLAXOSGOCGQPF-UHFFFAOYSA-N 301.415 3.639 0 40 DHAB O=C(Cc1ccc(F)cc1)OCC(=O)c1cc2ccccc2o1 3515783 ZYBYYHVLUVVJMS-UHFFFAOYSA-N 312.296 3.541 0 40 DHAB CC(=O)CCc1ccc(CC[C@H](C)NC(=O)c2ccccc2)cc1 3844791 XMCSCGWUFYRLTF-INIZCTEOSA-N 323.436 3.959 0 40 DHAB biogenic COc1ccc(C(=O)c2cccc(Br)c2)cc1OC 3850627 GXJWCGOCTKMLQU-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB biogenic O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 4019331 DBXPNVANMQOOSH-OZVVPTBGSA-N 310.180 3.529 0 40 DHAB O=C(Cc1cccs1)Nc1ccc(Br)cc1F 4524398 SAPFHCNUMSGPCF-UHFFFAOYSA-N 314.179 3.831 0 40 DHAB O=C(CCCCCCCC(=O)N1CCCCC1)N1CCCCC1 4742784 SYWXRKWSURBLGZ-UHFFFAOYSA-N 322.493 3.742 0 40 DHAB O=C(COc1ccc(F)cc1)Nc1ccc(Br)cc1 5866939 JTXQBQHRUHXSJF-UHFFFAOYSA-N 324.149 3.606 0 40 DHAB Cc1cc2nc(N3CCc4ccccc43)c3ccccc3n2n1 7779326 LJEMNZOXRORXQB-UHFFFAOYSA-N 300.365 3.885 0 40 DHAB c1nc(SC[C@H]2CCCCO2)c2c3c(sc2n1)CCC3 7779797 RSTALMYFCHHYDT-SNVBAGLBSA-N 306.456 3.841 0 40 DHAB C[C@H]1c2ccsc2CCN1C(=O)COc1ccc(Cl)cc1 7829487 ZQLDCZHVBZAQFU-NSHDSACASA-N 321.829 3.926 0 40 DHAB Cc1ccsc1CN(C)C(=O)c1cc(Cl)c2c(c1)OCO2 7898265 PLMCXEINYWJPEL-UHFFFAOYSA-N 323.801 3.711 0 40 DHAB Cc1nc(Nc2cccc(CO)c2)c2c3c(sc2n1)CCC3 7981416 GCZOWJYFFJGXHG-UHFFFAOYSA-N 311.410 3.724 0 40 DHAB O=C(NCc1cccc(Cl)c1)[C@H]1Cc2cc(Cl)ccc2O1 8274055 AUNQXNSJMLPRAP-OAHLLOKOSA-N 322.191 3.613 0 40 DHAB O=C1CCCN1c1ccc(-c2csc(-c3ccccn3)n2)cc1 8297229 SKOWMUFIIZDEGJ-UHFFFAOYSA-N 321.405 3.999 0 40 DHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC 8691258 GHUNMSMWUMHIJJ-UHFFFAOYSA-N 320.439 3.508 0 40 DHAB CCc1ccc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)cc1 9315915 VXLXVSKVUKHPDY-VAWYXSNFSA-N 308.381 3.859 0 40 DHAB Cc1cccc(-n2[nH]c3nccc(-c4ccc(F)cc4)c3c2=O)c1 10157176 IEPFFJWHFZFILD-UHFFFAOYSA-N 319.339 3.828 0 40 DHAB Oc1ccc(-c2nc3cnccn3c2NC2CCCCC2)c(O)c1 12113805 YAOVWQYICOOOGY-UHFFFAOYSA-N 324.384 3.552 0 40 DHAB COc1ccc(CNC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 12997281 NBFLFKBWBCQIAD-SFHVURJKSA-N 310.397 3.646 0 40 DHAB Cc1ccc(-c2nnc(SCc3c(C)noc3C)o2)cc1 13135464 ANMCBAUOVFWUFV-UHFFFAOYSA-N 301.371 3.942 0 40 DHAB C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1cnc2ccccc2c1 13578890 WJDIHHDBWYMKOW-GFCCVEGCSA-N 323.421 3.936 0 40 DHAB COc1cc(CN[C@H](C)c2ccccc2C)cc2c1OCCO2 14137399 BYKUARXRNNQKTR-CQSZACIVSA-N 313.397 3.626 0 40 DHAB COc1cccc2cc([C@@H](C)NC(=O)c3cccs3)oc12 25139607 QNEFVIQXUPUJTN-SNVBAGLBSA-N 301.367 3.994 0 40 DHAB CCc1sc(C(=O)NCc2cccc(CN(C)C)c2)cc1C 32818612 DSQVXYGIFBOEJL-UHFFFAOYSA-N 316.470 3.611 0 40 DHAB C[C@@H]1CCCCN1C(=O)COc1cc(Cl)ccc1Cl 40159013 RKKOKISMOZIXGI-SNVBAGLBSA-N 302.201 3.773 0 40 DHAB CC(C)(C)OC(=O)N1CCC(n2ccc3cccnc32)CC1 40442666 WRVJPQOJARXCBQ-UHFFFAOYSA-N 301.390 3.608 0 40 DHAB in-vitro Cc1ccc(-c2cc(C(=O)N(C)c3cccc(C)c3)n[nH]2)cc1 44837855 XDBRSPCLHHGTAC-UHFFFAOYSA-N 305.381 3.970 0 40 DHAB O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1 47324853 HQXLRNZHOADDBB-UHFFFAOYSA-N 321.852 3.822 0 40 DHAB COc1cccc(-c2cc(C(=O)Nc3cccc(C)c3)n[nH]2)c1 51315571 SVLPIUOPZRFENA-UHFFFAOYSA-N 307.353 3.646 0 40 DHAB COc1c(CN[C@H](C)c2oc3ccccc3c2C)c(C)nn1C 58434021 WDTCOEXVMVTNHX-CYBMUJFWSA-N 313.401 3.643 0 40 DHAB COc1ccc2c(CC(=O)N3CCC[C@@H](C)CC3)coc2c1 65474295 ZISAPXRKBYGYST-CYBMUJFWSA-N 301.386 3.633 0 40 DHAB O=C(Nc1ccccc1NCC(F)(F)F)c1cccs1 66452299 JGYRDNXJQXEAET-UHFFFAOYSA-N 300.305 3.975 0 40 DHAB FC(F)(F)Cn1ccnc1CN1CCC[C@@H]1Cc1ccccc1 69591887 CGEZWSUBTDEMQH-OAHLLOKOSA-N 323.362 3.653 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)on1 71820950 KNMOYCIFRSDFDB-LBPRGKRZSA-N 302.399 3.511 0 40 DHAB O=C(Nc1ccccn1)N1CCC(c2c[nH]c3ccccc23)CC1 79718767 WRKXSHHOULWKCG-UHFFFAOYSA-N 320.396 3.974 0 40 DHAB Cc1c(CS(C)(=O)=O)cccc1NCCCC1CCCC1 84041431 NCZIGPRUGXPQSS-UHFFFAOYSA-N 309.475 3.922 0 40 DHAB FC(F)(F)[C@@H]1CCCn2c(CNC3CCCCCC3)nnc21 89818913 WJPJXKXVDLIUOF-GFCCVEGCSA-N 316.371 3.530 0 40 DHAB CSC1(CN[C@H](C)c2cc3ccccc3o2)CCOCC1 90113116 SSCYXXBXNPWKLU-CYBMUJFWSA-N 305.443 3.996 0 40 DHAB c1cncc(CNc2cccc(OCCN3CCCCC3)c2)c1 95429060 MKSQZXZAGCXQST-UHFFFAOYSA-N 311.429 3.558 0 40 DHAB C[C@@H](OC1CCCC1)C(=O)Nc1ccc(Br)cc1 95959403 HBWMHXJGHZBKQE-SNVBAGLBSA-N 312.207 3.735 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)N(C)CC2 96012326 BKDISCYVBLDTFH-GFCCVEGCSA-N 300.427 3.574 0 40 DHAB O=C(CC1CCOCC1)Nc1cccc(Oc2ccccn2)c1 96433212 SUUKKNYWWDHXEX-UHFFFAOYSA-N 312.369 3.629 0 40 DHAB O=C(Cc1cccs1)N1CCS[C@H](c2ccccc2)CC1 211142541 PAMUFTPVOFZTTN-INIZCTEOSA-N 317.479 3.997 0 40 DHAB CCOCCCNC(=O)[C@H](CC)Oc1cccc2ccccc12 216394257 ZWNVPWMWKILHGC-KRWDZBQOSA-N 315.413 3.540 0 40 DHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 222903559 IUMFZIOFESBUSW-GJZGRUSLSA-N 317.483 3.772 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 224294169 HYTZJYCPWHOYCK-OAHLLOKOSA-N 315.388 3.569 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 224418951 HSRZUJOLLFXDIG-HOTGVXAUSA-N 311.425 3.936 0 40 DHAB CC(C)(C)CNC(=S)Nc1ccc(Oc2ccccc2)nn1 225221484 TVTOFLVNOAQUCI-UHFFFAOYSA-N 316.430 3.601 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccccc2Cl)cc1 225439786 FYUDGMGQFSDVAH-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB CCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1Cl 225726051 PDJGIUUKGDKNKA-INIZCTEOSA-N 311.809 3.882 0 40 DHAB Cc1cccc(NC(=S)N[C@H](C)COc2ccccc2)c1 225781161 BSGVRGPITNNVSF-CQSZACIVSA-N 300.427 3.749 0 40 DHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1 225896384 MTOFLPQOTRVKBC-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@H]2C)cc1 226284981 MIVZUFICAOUDEG-GFCCVEGCSA-N 314.351 3.981 0 40 DHAB CCOC(=O)c1cn2cc(-c3ccccc3Cl)sc2n1 228971530 DCBIZOFQMMUDPE-UHFFFAOYSA-N 306.774 3.893 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)n1 257212553 CDXYYUXYFZAVQJ-GFCCVEGCSA-N 321.783 3.530 0 40 DHAB Cc1ccc(CC(=O)N2CCC[C@H]2CCc2ccncc2)s1 257300166 RTEGWEPUASAZSK-INIZCTEOSA-N 314.454 3.618 0 40 DHAB O=C(c1cccc(C(F)(F)F)c1)C(F)(F)Br 382715163 JPLJLEOBNIREOG-UHFFFAOYSA-N 303.024 3.876 0 40 DHAB O=C(c1cc2cc(F)ccc2s1)N1CC[C@H](OCC2CC2)C1 390831968 WISRBODDFSJDTP-AWEZNQCLSA-N 319.401 3.682 0 40 DHAB C[C@H]1CN(C[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H](C)O1 575421942 DDYRRJSHTGELEI-CQJJVWNLSA-N 324.262 3.662 0 40 DHAB Cc1nc(CN2CCC(CCc3ccc(F)cc3F)CC2)no1 653805135 CYXIRLUJPQHXKD-UHFFFAOYSA-N 321.371 3.501 0 40 DHAB O=C(NCCc1cccnc1)c1cc2c(s1)CCCCCC2 32349044 JUUUTNREPYKMEK-UHFFFAOYSA-N 314.454 3.775 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1 365122 BPPSKNAPHRLTSB-NSHDSACASA-N 305.761 3.760 0 40 DHAB O=Cc1c(-c2cccnc2)[nH]c2ccc(Br)cc12 6269298 HSBBAAFOCONXNF-UHFFFAOYSA-N 301.143 3.805 0 40 DHAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C 6362163 NHIUUHTZGJASGY-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB Cc1ccc(N2C(=O)C[C@@H]([C@H](C)c3ccccc3)C2=O)cc1C 101984465 DYOCAVFNXZPCON-QAPCUYQASA-N 307.393 3.987 0 40 DHAB CCc1ccccc1NC(=O)COc1cccc2cccnc12 6960111 NWIQXCBOOZRIKX-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB Cn1ccs/c1=N\C(=O)c1ccc(Oc2ccccc2)cc1 7974129 BCSGJCVMMDUCJY-ZCXUNETKSA-N 310.378 3.620 0 40 DHAB O=C(NC1CCCCC1)c1ccccc1OCc1ccncc1 29958167 XUZAWNRLHZFAIZ-UHFFFAOYSA-N 310.397 3.723 0 40 DHAB O=C(NCc1ccccc1)c1cccc(OCc2cscn2)c1 16202615 MGLHQOHWANFRKX-UHFFFAOYSA-N 324.405 3.652 0 40 DHAB Cn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 32738548 WSHKKNGZOWLLMK-UHFFFAOYSA-N 308.425 3.877 0 40 DHAB Cc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 12042857 FYHKSVPOXOTFDL-UHFFFAOYSA-N 308.425 3.574 0 40 DHAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(F)cc2)c1 8097789 LGTYASOFCVWCBA-UHFFFAOYSA-N 315.344 3.574 0 40 DHAB CCN(CC)c1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1 424227 CPVJWBWVJUAOMV-UHFFFAOYSA-N 321.376 3.870 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)c(C)c1 20461423 LWVBPDJNYGGLBT-AWEZNQCLSA-N 321.417 3.623 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1 28303521 YQEQSMRJDXWPCT-UHFFFAOYSA-N 321.380 3.832 0 40 DHAB CC(C)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 570393 VEJRWTSNMRCFSU-UHFFFAOYSA-N 314.776 3.668 0 40 DHAB C[C@H](NC[C@H](O)COCC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 104492833 LPUMTQRKKILSNT-MSJBJCGKSA-N 317.473 3.541 0 40 DHAB C[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1cccs1 58289819 CWNLOUXNNBYYSK-GFCCVEGCSA-N 319.451 3.541 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2F)cc1 28308088 VNEDRPHSRRAQFN-QGZVFWFLSA-N 317.335 3.951 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3ccccc32)on1 45305640 KHEWNLPXPMDSOR-CVEARBPZSA-N 311.385 3.517 0 40 DHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 3549254 AEMGWUQFVDCXOM-INIZCTEOSA-N 316.788 3.546 0 40 DHAB Cc1cccc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1 14093717 VBXKUIPQRUYITR-UHFFFAOYSA-N 315.241 3.872 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccn2)cc1Cl 14124646 DHELOWWIGPXHLI-UHFFFAOYSA-N 324.167 3.599 0 40 DHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2[nH]1 69520743 CNBSLKWWBWNNMT-UHFFFAOYSA-N 304.305 3.527 0 40 DHAB COc1ccc2ccccc2c1[S@](=O)NCc1ccccc1 5703822 DXDKKWKQKPQVPW-JOCHJYFZSA-N 311.406 3.661 0 40 DHAB COc1ccc(OC)c(NC(=O)c2cc3c(s2)CCCC3)c1 5701668 LETBYKHQXKJADL-UHFFFAOYSA-N 317.410 3.896 0 40 DHAB CCOc1ccc2nc(C)c(CN3CCC[C@@H](C)C3)c(O)c2c1 8713988 UQPLCFSKTZPBLJ-CYBMUJFWSA-N 314.429 3.879 0 40 DHAB O=C(Nc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 15554458 MVCGKKJJEWKUTE-GOSISDBHSA-N 310.397 3.664 0 40 DHAB Cc1cc(C(=O)OCc2cc3ccccc3nc2Cl)on1 7226657 WONWUNQLHXVYMG-UHFFFAOYSA-N 302.717 3.542 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2ccccc2)N2CCCCC2)o1 15860157 QJPNITKGWNAZOL-KRWDZBQOSA-N 312.413 3.545 0 40 DHAB Cc1cc2c(nc1C)oc1c(NCc3ccccc3)ncnc12 71281689 FJHVVRFPOXDTTQ-UHFFFAOYSA-N 304.353 4.000 0 40 DHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1Cc1ccc(Cl)cc1 9547852 UFVYZCLSYOVFKB-UHFFFAOYSA-N 316.763 3.857 0 40 DHAB O=C(CCCOc1ccc(F)cc1)N1CCC[C@H]1c1ccc[nH]1 71818767 OQICOXMNNZYLEI-KRWDZBQOSA-N 316.376 3.677 0 40 DHAB CC(C)c1nn(C)c(Cl)c1CNCc1ccc([C@@H](C)O)cc1 71825316 ZVDVMBHQKWOMRL-GFCCVEGCSA-N 321.852 3.540 0 40 DHAB Cc1nc(C)c(CN[C@@H]2CCCc3c2cnn3C(C)(C)C)s1 76018127 MEFBHUNLNUVQFR-CQSZACIVSA-N 318.490 3.879 0 40 DHAB c1ccc2c(CN3CCO[C@@H](c4nccs4)C3)cccc2c1 97203935 AOXVWNVBGHQGIZ-QGZVFWFLSA-N 310.422 3.870 0 40 DHAB Cc1[nH]ccc1C(=O)N1CCC(Oc2ccccc2Cl)CC1 95436381 VUMBZHJWNUZINU-UHFFFAOYSA-N 318.804 3.660 0 40 DHAB CC[C@@H](c1ccccc1)N(C)Cc1nc(-c2cccnc2)no1 78716758 BSSRQQAUMHWMTG-INIZCTEOSA-N 308.385 3.715 0 40 DHAB Cc1noc(C)c1-c1nc2ccc(Br)cc2n1C 89582524 SATSWSIDKPYYQL-UHFFFAOYSA-N 306.163 3.608 0 40 DHAB CSc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 71761509 AFDRJPZPEYEDMV-UHFFFAOYSA-N 318.423 3.946 0 40 DHAB CCc1cccc2c1N(C(=O)c1cc(O)nc(C(C)C)c1)CC2 537171379 CWSILLNRTPFLOQ-UHFFFAOYSA-N 310.397 3.676 0 40 DHAB CC(C)CCNC(=O)c1cc(Br)ccc1Cl 37975184 YRXLAORTSXYOLJ-UHFFFAOYSA-N 304.615 3.878 0 40 DHAB CCOc1ccc(NC(=O)NCCSc2ccccc2)cc1 40095543 PKKQXFNXQPIOKL-UHFFFAOYSA-N 316.426 3.999 0 40 DHAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2ccccc2Cl)C1 228911199 FYZLLCBDFIWOAX-ZDUSSCGKSA-N 323.820 3.709 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(C)cc1C 223144550 WIEDKVDZICMHSX-QGZVFWFLSA-N 302.462 3.688 0 40 DHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccccc1 49466811 CYRZTMVTPZWDAG-FSPWUOQZSA-N 323.392 3.850 0 40 DHAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 224907678 QQDBNKIRQQGXGY-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB C[C@@H](OC(=O)Oc1ccccc1)[Si](C)(C)c1ccccc1 195760897 LNPSDOXJCCLFHA-AWEZNQCLSA-N 300.430 3.745 0 40 DHAB Cc1ccc(-n2nc(C)cc2NC(=O)/C=C/c2ccco2)cc1 40023522 HETMYGVQEGULEW-MDZDMXLPSA-N 307.353 3.734 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccc(F)cc2)cc1C 222994521 KITRCZAZROEIQL-HNNXBMFYSA-N 315.388 3.569 0 40 DHAB COc1cccc(Oc2ncccc2CNc2nccc(C)n2)c1 96421041 PKIYSDZQHOCDFX-UHFFFAOYSA-N 322.368 3.593 0 40 DHAB CO[C@@](C)(CNC(=O)c1cc(C)oc1C)c1cccc(Cl)c1 96392344 JCGGOMCGTOUPHT-KRWDZBQOSA-N 321.804 3.841 0 40 DHAB O=C(c1ccc(Cc2ccccc2)nc1)N1CCC(F)(F)CC1 257337195 YRVJDHHWTWFLCY-UHFFFAOYSA-N 316.351 3.544 0 40 DHAB Cn1ncc2c1CCC[C@H]2NCc1oc2ccccc2c1Cl 585118554 TZAXBFOMPVBCBU-CYBMUJFWSA-N 315.804 3.987 0 40 DHAB Cc1ccc([C@H]2C[C@@H](NC(=O)C(C)C)[C@@H]3CCC[C@H]3O2)cc1 257266428 MCZGVEIWIHFWPG-BSDSXHPESA-N 301.430 3.766 0 40 DHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1CCc1ccccc1 55485180 NIABNKWRDAVKGJ-QGZVFWFLSA-N 323.392 3.653 0 40 DHAB COc1cc(C(=O)N(CC(C)C)C2CC2)cc(Cl)c1OC 65551106 BOMZIQYUMXDNAX-UHFFFAOYSA-N 311.809 3.618 0 40 DHAB CC(C)(O)C(C)(C)NC(=O)Nc1ccc(Cl)c(Cl)c1 95462221 ALWUBZVSCRHGNX-UHFFFAOYSA-N 305.205 3.664 0 40 DHAB Fc1ccc(NCc2cccc3c2OCO3)cc1Br 95445303 JARBYENMBPFUOJ-UHFFFAOYSA-N 324.149 3.929 0 40 DHAB COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C=C[C@H]21 5004458 WWHOUZIYZYQBEU-BHIYHBOVSA-N 300.398 3.959 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)c(C)c1 18150993 NKEDJJPSMQBUPO-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB O=C(COc1ccccc1Cl)Nc1ccc(F)c(F)c1F 3514943 WDUDKMCOZXEBDU-UHFFFAOYSA-N 315.678 3.775 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 35312874 ZNSKVKACXPEACF-KRWDZBQOSA-N 323.396 3.630 0 40 DHAB COc1ccc(OC)c([C@H]2Nc3ccccc3-c3cc(C)nn32)c1 817641 XCRXYNVNIQWWIL-IBGZPJMESA-N 321.380 3.848 0 40 DHAB COc1cccc2sc(NC(=O)Cc3ccc(F)cc3)nc12 5268265 NAIPUCKQAYRATB-UHFFFAOYSA-N 316.357 3.625 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2C)o1 40050485 QATVADORLCVRCR-OAHLLOKOSA-N 301.386 3.933 0 40 DHAB C[C@H](NC(=O)C1CCCC1)c1ccc(OC(F)(F)F)cc1 40074325 ZOHJMSMWGIHKLJ-JTQLQIEISA-N 301.308 3.953 0 40 DHAB CC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 311496 ZFTOUALUILKSLZ-UHFFFAOYSA-N 318.170 3.904 0 40 DHAB CCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C)c1CC 369181 LPZRVPXYTJOYCW-UHFFFAOYSA-N 321.398 3.949 0 40 DHAB CCOc1ccc2[nH]c3c(N4CCC[C@H](C)C4)ncnc3c2c1 543371 VEZBCYVSGHDUJG-LBPRGKRZSA-N 310.401 3.746 0 40 DHAB Cc1ccc(OCCNC(=O)Nc2ccc(Cl)cc2)cc1 1906236 BMFOILFNJUMYBF-UHFFFAOYSA-N 304.777 3.849 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 2632269 DEQSLPVLUAONHE-CHWSQXEVSA-N 303.789 3.985 0 40 DHAB Cc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1 2713194 KDDOTONNQSNXPZ-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCCO1 3179191 HYJLLJGMPLCREO-LBPRGKRZSA-N 308.790 3.581 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)n1 3504398 YZVIXYJPQCIOIR-LBPRGKRZSA-N 318.467 3.517 0 40 DHAB CCc1cc2c(=O)n(Cc3ccccc3)c(=S)[nH]c2s1 3887742 HRNKNWRDAIPEIA-UHFFFAOYSA-N 302.424 3.731 0 40 DHAB COc1cc(C(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O 4073859 KTOAGBIQQPGNIR-DWQUBVKVSA-N 304.386 3.772 0 40 DHAB Cn1c(N)c(-c2cccc3ccccc23)c(=O)c2ccccc21 5021841 KWEXDWRPEGGMDF-UHFFFAOYSA-N 300.361 3.941 0 40 DHAB Cc1csc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 5101602 LOOCYWBNHFSVOE-UHFFFAOYSA-N 322.499 3.629 0 40 DHAB CNC(=O)c1c(NC(=O)c2ccc(C)cc2C)sc(C)c1C 5144989 SKXKKRIRNBDNRR-UHFFFAOYSA-N 316.426 3.594 0 40 DHAB COC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 5674645 VHTXOTZZWSVINU-CQSZACIVSA-N 320.392 3.667 0 40 DHAB COCCNc1nc(C)nc2scc(-c3cccs3)c12 5937397 AFPKFAIOBAOBLC-UHFFFAOYSA-N 305.428 3.787 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1cccc([C@H](C)O)c1 8383024 DWFFJKDSXXUYOK-JTQLQIEISA-N 305.761 3.654 0 40 DHAB CCOC(=O)c1sc(NC(=O)c2sc(C)nc2C)cc1C 8918816 XTMVUBJBAJNUIU-UHFFFAOYSA-N 324.427 3.559 0 40 DHAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)O)cc1 8939740 XLUUZCZMTANOOE-UHFFFAOYSA-N 313.328 4.000 0 40 DHAB O=c1[nH]c(CSC/C=C/c2ccccc2)nc2ccsc12 9585650 IICSTVVIMISDII-QPJJXVBHSA-N 314.435 3.931 0 40 DHAB COc1ccccc1C(=O)NCCSCc1cccc(C)c1 10040705 WYARMWSGHJUQLC-UHFFFAOYSA-N 315.438 3.667 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)n1 11916765 RYEPHYGCUDRCFW-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB O=C(c1ccncc1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188064 UEFYMHAYHBZGNV-SFHVURJKSA-N 317.392 3.650 0 40 DHAB O=C(NC1CC1)c1cccnc1Sc1ccc(Cl)cc1 12814084 HAQQHTVJAGIABM-UHFFFAOYSA-N 304.802 3.778 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3cc(F)ccc3F)cnc21 12992776 WRRNJVQETGRTTG-UHFFFAOYSA-N 316.311 3.543 0 40 DHAB CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 13012876 BPJNWCNVTJLBKW-CYBMUJFWSA-N 313.372 3.975 0 40 DHAB COCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 13030777 YNKYGJOLTSOMET-UHFFFAOYSA-N 316.788 3.915 0 40 DHAB Cc1[nH]c(=S)[nH]c(=O)c1Cc1ccc(Cl)c(Cl)c1 13468393 QPHYMRZMYBHBSX-UHFFFAOYSA-N 301.198 3.639 0 40 DHAB O=C(NCc1ccccn1)c1ccccc1OCc1ccccc1 13687064 PJMXSXJUOCMURB-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CC(C)c1n[nH]c(S[C@@H](C)c2nnc(-c3cccs3)o2)n1 14117684 NGDKNILGGSPTLN-QMMMGPOBSA-N 321.431 3.893 0 40 DHAB CCc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1 14258088 XNXQFPHOKKLTEN-UHFFFAOYSA-N 308.385 3.577 0 40 DHAB CC[C@H](CNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 18153083 UHCSPJLRAJURET-CQSZACIVSA-N 313.397 3.627 0 40 DHAB COc1ccc(CSCC(=O)Nc2ccccc2F)cc1 20237815 SEFOVEICUXHSHN-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 20485580 KTDFSMQQCDZXIO-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB O=C(O)C1CCC(CNc2nc(=S)[nH]c3ccccc23)CC1 20646009 UYAPHQMKDCGFOH-UHFFFAOYSA-N 317.414 3.595 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2)on1 25470339 XEHBGPVNYJMHQV-ZDUSSCGKSA-N 304.349 3.933 0 40 DHAB Cc1cccc(NCc2cc(=O)n3cc(Cl)ccc3n2)c1C 25596646 AWGKLEZFJKJFMT-UHFFFAOYSA-N 313.788 3.577 0 40 DHAB c1ccc(-n2cc(CN3CCSc4ccccc43)cn2)cc1 25808071 RQFCDWPRXIFUFA-UHFFFAOYSA-N 307.422 3.985 0 40 DHAB COc1cccc(-n2ccnc2S[C@@H]2CCCCCC2=O)c1 26045339 XEZWKPOPLNQDDH-MRXNPFEDSA-N 316.426 3.875 0 40 DHAB COc1ccc(Cl)cc1Nc1oc(C)cc(=O)c1C(C)=O 27300162 LUQPAFOJNKNTOZ-UHFFFAOYSA-N 307.733 3.556 0 40 DHAB CCn1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc2ccccc21 27923493 CPXXGNZCEDRJPC-HUUCEWRRSA-N 305.381 3.798 0 40 DHAB Cc1cccc(CN[C@@H](c2ccccc2F)c2nccn2C)c1 30645901 IWVLJYKIVJPZAG-SFHVURJKSA-N 309.388 3.747 0 40 DHAB CCCn1nc(C)cc1NC(=O)c1ccc(Br)cc1 32609919 BAYCMXMMZGIYEU-UHFFFAOYSA-N 322.206 3.616 0 40 DHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)N[C@@H]1CCCC[C@H]1C 32863319 JZERMIODQOLRJD-CZUORRHYSA-N 322.424 3.945 0 40 DHAB CCCc1nc(CNC(=O)c2ccc(-c3ccccc3)cc2)no1 33879589 UZENEQFNYFJXRS-UHFFFAOYSA-N 321.380 3.619 0 40 DHAB COCc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 40095595 OTXAFDUKUBOXDN-UHFFFAOYSA-N 304.777 3.808 0 40 DHAB Fc1ccc(NCc2nc(-c3ccsc3)no2)c(F)c1F 40473274 CKQKDSYRXKHHQT-UHFFFAOYSA-N 311.288 3.828 0 40 DHAB O=C(/C=C/c1cccs1)Nc1ccc(Oc2cnccn2)cc1 40529499 CAZQVAPZENEQQD-BQYQJAHWSA-N 323.377 3.982 0 40 DHAB Cc1noc(C)c1CN(C)C(=S)Nc1ccc2c(c1)CCC2 53518938 HRWJIRBVWUGIKL-UHFFFAOYSA-N 315.442 3.609 0 40 DHAB O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCCCC1 58326504 PSDDHHFONWRMEI-UONOGXRCSA-N 308.219 3.565 0 40 DHAB Cc1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2cccc(O)c2)s1 69462185 GBZQOENPULBXHF-LSDHHAIUSA-N 301.411 3.524 0 40 DHAB COc1cc(F)ccc1NC(=O)N1CCC(n2cccc2)CC1 69561067 IGFNZELMTYNNER-UHFFFAOYSA-N 317.364 3.505 0 40 DHAB Cc1cnn([C@H](C)[C@H](C)NCCCc2nc3ccccc3o2)c1 69655253 VAOQJDSUQCONNZ-LSDHHAIUSA-N 312.417 3.505 0 40 DHAB N[C@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1 72225817 KROXTSGXUOBERP-HXUWFJFHSA-N 301.393 3.824 0 40 DHAB CCCc1ccc(S(=O)(=O)Nc2sc(C)nc2C)cc1 75106841 IHHJGJJSMYCXAW-UHFFFAOYSA-N 310.444 3.513 0 40 DHAB CCSc1ccc(C(=O)N(C)c2ccc(Cl)cn2)cn1 76347152 CVJVUJYKSKGHNZ-UHFFFAOYSA-N 307.806 3.519 0 40 DHAB COc1cccc(C(=O)Nc2ccc3nc(C4CC4)[nH]c3c2)c1 79475794 ZLUFNIOLVQGMQZ-UHFFFAOYSA-N 307.353 3.701 0 40 DHAB CCCc1noc(COC(=O)c2cc3c(s2)CCCCC3)n1 84759058 WVNSHLSLNNGPAN-UHFFFAOYSA-N 320.414 3.710 0 40 DHAB Cc1ccc(CN(C)Cc2ccc([S@@](C)=O)cc2)cc1F 93713214 IMISNWBWAPIZQV-NRFANRHFSA-N 305.418 3.504 0 40 DHAB CN(Cc1cnn(-c2ccccc2)c1)c1ccnc(C(C)(C)C)n1 95962923 WYNINUIFGBHZHI-UHFFFAOYSA-N 321.428 3.596 0 40 DHAB COc1ccc(Br)c(NCc2nccn2C(C)C)c1 95965282 VMXWJSVNEBFIBA-UHFFFAOYSA-N 324.222 3.847 0 40 DHAB Cc1ccc(CN2CCC3(CC2)C[C@H](c2cccnc2)CO3)o1 96047776 DHBSYDMVSYDHAA-KRWDZBQOSA-N 312.413 3.522 0 40 DHAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(O)CCCC1=N2 101589138 WAHMAFPGCLVVII-GFCCVEGCSA-N 318.427 3.733 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc(-c3ccco3)on1)C2 102192389 CQLXCMFCGMURHQ-POHZPAGDSA-N 314.385 3.879 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccc(C)cc1)c1ccc(C)cc1 216417253 LXTNKAMVYJCWHQ-SFHVURJKSA-N 317.454 3.874 0 40 DHAB O=C(COc1ccccc1Cl)NCCCc1ccc(F)cc1 218847596 CHRXOAXYWRDUSH-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB CCCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)N[C@@H](C)CC 225490937 VTVLMQCEQYBMCG-DOTOQJQBSA-N 318.461 3.509 0 40 DHAB Cc1cc2c(SCCO[C@H]3CCCCO3)ncnc2s1 225640127 IHYLDMAXIYYWSC-LBPRGKRZSA-N 310.444 3.635 0 40 DHAB C[C@H](NC(=O)c1ccc2nc(Cl)oc2c1)c1ccccc1 225977491 QISPTSFYNZXNBF-JTQLQIEISA-N 300.745 3.972 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 226284990 IFDYYWMBZZVBBU-UHFFFAOYSA-N 318.314 3.731 0 40 DHAB Cc1cccc(-c2nc(CO[C@@H]3CCCC[C@H]3C)no2)c1O 333111030 XOOQNRKCQDLWGW-BXUZGUMPSA-N 302.374 3.846 0 40 DHAB CO[C@@H](CNc1ncnc2cnccc12)c1ccc(Cl)s1 1775971864 WCRUCZXTHPTXQZ-NSHDSACASA-N 320.805 3.539 0 40 DHAB CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1775972251 FHIQNNIHQWJCGF-OALUTQOASA-N 324.424 3.893 0 40 DHAB c1csc(CCNc2ncnc3sc4c(c23)CCC4)c1 137111 REEVVLOFPWRATD-UHFFFAOYSA-N 301.440 3.896 0 40 DHAB Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)C(C)(C)C 1352557 HMDVHNKRINKUHG-UHFFFAOYSA-N 311.385 3.627 0 40 DHAB CSc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 2630781 FVMIWXDZSJZGQO-UHFFFAOYSA-N 311.362 3.767 0 40 DHAB CN(CC(=O)c1cccc(Br)c1)C1CCCCC1 3293106 QQJNSIGQCSQFHE-UHFFFAOYSA-N 310.235 3.896 0 40 DHAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3501270 YSSXZZAIEKLCBF-MQQKCMAXSA-N 314.168 3.607 0 40 DHAB COc1cc2ccccc2cc1C(=O)NCc1ccc(F)cc1 3613569 BNSXHGDGEPROEB-UHFFFAOYSA-N 309.340 3.918 0 40 DHAB CC(C)Sc1nnc(NC(=O)CCc2ccccc2)s1 4087990 FVLYEXNILLYJMC-UHFFFAOYSA-N 307.444 3.610 0 40 DHAB c1ccc(COC(CN2CCCCC2)CN2CCCCC2)cc1 4832887 RRXQYXZOUWQYKR-UHFFFAOYSA-N 316.489 3.544 0 40 DHAB CCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 5218241 CSFSBBSLGDYJQJ-NEWSRXKRSA-N 319.420 3.821 0 40 DHAB CC1=C[C@H](Cc2ccccc2)NN=C2C=Cc3ccccc3N12 5261096 GEZPTRPWWTWZRY-GOSISDBHSA-N 301.393 3.952 0 40 DHAB CC(=O)c1cn(CC(=O)N(C)c2ccccc2)c2ccccc12 6298056 UTWYJSBUOQQZHL-UHFFFAOYSA-N 306.365 3.507 0 40 DHAB COC(=O)c1ccccc1NC(=O)Cc1coc2cc(C)ccc12 6809909 SUOFOYBVFIZJOZ-UHFFFAOYSA-N 323.348 3.709 0 40 DHAB CCN(C(=O)CSc1nc2ccccc2[nH]1)C1CCCCC1 6907459 OWEIYHGLRAESHI-UHFFFAOYSA-N 317.458 3.836 0 40 DHAB Cc1cccc(C(=O)OCc2ncc(-c3ccccc3)o2)c1O 7701293 HRCCSFYPMJNGCO-UHFFFAOYSA-N 309.321 3.713 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1F 7988932 ROQPHRZOXLXYTF-UHFFFAOYSA-N 324.355 3.655 0 40 DHAB CCc1ccc(NC(=O)Nc2ccc(OC)cc2OC)cc1 8086643 OGRKTRQIVVLUNK-UHFFFAOYSA-N 300.358 3.910 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1C 8329025 NAGWCPLWIKYGOY-GFCCVEGCSA-N 316.376 3.806 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 8612350 RETBEZOCVIXDBR-UHFFFAOYSA-N 308.337 3.993 0 40 DHAB COc1ccccc1-c1nnc2sc(-c3cccc(C)c3)nn12 8706341 UZDKLFIQERKVND-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB COc1ccccc1[C@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21 9110461 DMYXDUJDPBOQAZ-CQSZACIVSA-N 319.364 3.559 0 40 DHAB Fc1cccc(-c2nnn(Cc3cccc(C(F)(F)F)c3)n2)c1 9337504 NWYKFVKMDUSULE-UHFFFAOYSA-N 322.265 3.546 0 40 DHAB CCOc1ccc(CNC(=O)CSc2ccc(C)cc2)cc1 10448463 KHAJGMFFXHFXHJ-UHFFFAOYSA-N 315.438 3.802 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccs1 12571361 IABIYTOOSMENMY-MCIONIFRSA-N 324.442 3.909 0 40 DHAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 12621399 RQMUKPKZZSHPIL-GFCCVEGCSA-N 322.364 3.882 0 40 DHAB O=C(Cc1ccc(F)cc1)N1CCCSc2ccccc21 12899740 CVSDEPSAJSRUQL-UHFFFAOYSA-N 301.386 3.897 0 40 DHAB COc1ccc(OC)c(NC(=O)CCCc2cccs2)c1 12904747 OLZIZFDPPOZUGD-UHFFFAOYSA-N 305.399 3.727 0 40 DHAB CC(C)c1n[nH]c(S[C@H](C)c2nnc(-c3cccs3)o2)n1 14117687 NGDKNILGGSPTLN-MRVPVSSYSA-N 321.431 3.893 0 40 DHAB O[C@@H](CNc1ccccn1)COc1ccc(-c2ccccc2)cc1 16780237 OIQNAQQMADINQQ-SFHVURJKSA-N 320.392 3.600 0 40 DHAB COc1ccc(-c2cn(Cc3ccccc3C)c3[n+]2CCC3)cc1 17015848 PSHJYNSYCZRCQL-UHFFFAOYSA-N 319.428 3.754 0 40 DHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)C1CCCC1 19372881 RLKFRMBCFYLWSA-SFHVURJKSA-N 323.440 3.615 0 40 DHAB Cc1ccccc1NC(=O)c1cn(-c2ccc(C(C)C)cc2)nn1 19814233 VQZLTGIMCVESPR-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB Cc1nc2cc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)ccc2o1 22131572 XZFBDNUJTTVVMH-UHFFFAOYSA-N 323.352 3.544 0 40 DHAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 22525250 GGVAJBZQIAFWDK-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)c[nH]3)o2)cs1 28728955 HYXUKXNWHITZBZ-UHFFFAOYSA-N 321.789 3.623 0 40 DHAB O=C(Nc1noc2ncccc12)c1ccc(Cl)cc1Cl 31903714 SSZCPIGOAYMENP-UHFFFAOYSA-N 308.124 3.782 0 40 DHAB COc1ccc(CNCc2cccnc2)cc1OC1CCCC1 32228128 YCFVUBCOCYKNAZ-UHFFFAOYSA-N 312.413 3.701 0 40 DHAB CCOc1ccc(OCC)c(NC(=O)c2cc(C3CC3)on2)c1 32871988 HWSWTQKUIOWDHW-UHFFFAOYSA-N 316.357 3.602 0 40 DHAB CSc1ccccc1C(=O)NCCO[C@@H]1CCCC[C@@H]1C 32931258 USHQAAZWYSHCKN-DZGCQCFKSA-N 307.459 3.734 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)CNc1cc(F)ccc1F 40007966 UXJLRFAWMGKMGS-GFCCVEGCSA-N 304.340 3.563 0 40 DHAB Cc1nn(Cc2ncc(C(C)(C)C)o2)c(C)c1Br 41367486 ZOYQCRRPHYSTCC-UHFFFAOYSA-N 312.211 3.596 0 40 DHAB Nc1nc(Cl)cc(Nc2ccc(N3CCCCCC3)cc2)n1 65562412 PLLVMSIRAPARPY-UHFFFAOYSA-N 317.824 3.836 0 40 DHAB C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC[C@@H](C)N1Cc1ccccc1 68593061 IBDBUXNMQVARBX-HLLBOEOZSA-N 318.461 3.953 0 40 DHAB C[C@H](NCc1cnc(-c2ccccc2)s1)[C@@H](C)n1cccn1 69418065 ZLZVEJZFASRVEB-UONOGXRCSA-N 312.442 3.746 0 40 DHAB COCc1nc(C(=O)N(c2cc(C)ccc2C)C(C)C)cs1 69532279 LFCNCDWTQBQDKJ-UHFFFAOYSA-N 318.442 3.962 0 40 DHAB CCN1CCC[C@@H]1CNC(=O)c1cc2c(ccc3ccccc32)[nH]1 71796256 MTAHNHWUQCRPBV-OAHLLOKOSA-N 321.424 3.535 0 40 DHAB CC(C)Oc1ccc(Cl)cc1-c1noc([C@H]2CCCN2)n1 72209133 GTSBJHPAHFFQHP-GFCCVEGCSA-N 307.781 3.602 0 40 DHAB Cc1cc(CS[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)on1 78555629 ORMXDCVXZZSFIS-NEPJUHHUSA-N 322.405 3.621 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 78883136 MBQUHLSRVOYWDI-QWHCGFSZSA-N 323.318 3.788 0 40 DHAB O=C1CCCN1C1CCN([C@H]2CCCCc3ccccc32)CC1 78972652 YBKPAWFILVJLJG-IBGZPJMESA-N 312.457 3.541 0 40 DHAB CC(C)n1cc(CCC(=O)NCc2ccccn2)c2ccccc21 79489257 RCVBEAOZKWOPAF-UHFFFAOYSA-N 321.424 3.866 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(CN(C)C(C)C)CC2)C1(C)C 84575478 WVGWJHYRHCAOQV-ZWKOTPCHSA-N 320.521 3.804 0 40 DHAB Cc1noc(C)c1CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 89529354 UKFCSWBTBKAHNL-WBVHZDCISA-N 318.417 3.753 0 40 DHAB C[C@H]1CN(c2ccc(Br)cc2Cl)C[C@@H](C)O1 95915823 WGLIRYCILMKXIC-DTORHVGOSA-N 304.615 3.716 0 40 DHAB Cc1ccccc1CN1CC2(CCN(Cc3ccccc3)C2)C1 96070804 MXTSBTZEIQKUQL-UHFFFAOYSA-N 306.453 3.703 0 40 DHAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]21 96100368 NLLYNHQOELVISD-FHWLQOOXSA-N 324.424 3.530 0 40 DHAB Cc1nc(CN2C[C@@H]3CCC[C@H](C2)C3OCC(C)C)cs1 96252713 MAAXRXITVLCTCI-FKEKPDDDSA-N 308.491 3.725 0 40 DHAB C[C@@H](Cc1ccsc1)NC(=O)N[C@H](c1nccs1)C1CC1 96439356 TUIMFSCRMFFITI-GWCFXTLKSA-N 321.471 3.586 0 40 DHAB CC(C)c1nnc(CCC(=O)N2CC[C@@H](C)CC[C@H]2C(C)C)o1 96446326 UCTZMJBLZZJEKB-GJZGRUSLSA-N 321.465 3.799 0 40 DHAB CC(C)(C(=O)O)c1ccc(NC(=O)CCc2cccs2)cc1 96467593 PAZOHUUJWYCLQE-UHFFFAOYSA-N 317.410 3.682 0 40 DHAB FC(F)(F)Oc1ccc(-n2cnc(Br)c2)cc1 115613315 JDDSQGPWIJFHKD-UHFFFAOYSA-N 307.069 3.533 0 40 DHAB CC(C)CCNC(=O)CSCc1ccc(Cl)cc1F 225438967 AMTVCVLMWMWTQF-UHFFFAOYSA-N 303.830 3.875 0 40 DHAB CCCO[C@@](C)(C(=O)Nc1cc(C)c(OC)c(C)c1)C1CC1 225673900 ZTBJCCRBVAYZHX-GOSISDBHSA-N 305.418 3.846 0 40 DHAB CCOC(=O)[C@@H]1CN[C@@H](c2ccccc2)C[C@H]1c1ccccc1 245240967 VRGSYPCBWQRFQZ-IPMKNSEASA-N 309.409 3.684 0 40 DHAB CCCn1nccc1-c1ccc(C[C@@H]2CCN(C(C)C)C2)cn1 257267050 MFTGGDYXLHGJHC-KRWDZBQOSA-N 312.461 3.628 0 40 DHAB O=C(NCc1ccc(Cl)cc1)NCc1cncc(C2CC2)c1 575606778 SNLTVSCOTOOUJF-UHFFFAOYSA-N 315.804 3.612 0 40 DHAB Cc1noc(C)c1C[C@@H](C)NC(=O)OCc1ccc(Cl)cc1 583651253 HWNCMFMVHLJJGG-SNVBAGLBSA-N 322.792 3.802 0 40 DHAB COc1cc(C)cnc1C(=O)N1CCC(C)(C)c2ccccc21 585084114 RULCLSZJKURJRN-UHFFFAOYSA-N 310.397 3.727 0 40 DHAB COc1ccc(-c2cccc([C@@H](O)c3cccc(F)c3)c2)cn1 1527290856 NMNKKVFVBANTIP-LJQANCHMSA-N 309.340 3.978 0 40 DHAB O=C1C(Cl)=C(Cl)C(=O)N1c1cccc(Cl)c1Cl 114954 DBXKSJKUFMJLAM-UHFFFAOYSA-N 310.951 3.556 0 40 DHAB COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 353651 BKLDGHUZASRCPX-UHFFFAOYSA-N 319.426 3.794 0 40 DHAB Cc1cccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c1 385354 ALGASVRZQCYQQI-UHFFFAOYSA-N 305.381 3.766 0 40 DHAB CC(C)Oc1ccc([C@H](CCN2C(=O)CCC2=O)C(C)C)cc1 488807 UOXRIYDHORAUPX-QGZVFWFLSA-N 317.429 3.753 0 40 DHAB biogenic Cn1c(SCc2ccccc2F)nnc1-c1cccs1 527679 QMCUBWLFDGDILP-UHFFFAOYSA-N 305.403 3.975 0 40 DHAB Cc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 582146 ZNFWNWCZZJGOHZ-UHFFFAOYSA-N 309.818 3.615 0 40 DHAB Clc1ccc2c(Cl)ncnc2c1I 1632576 HYTRTTAFHASZOE-UHFFFAOYSA-N 324.936 3.541 0 40 DHAB CCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C 2228874 LRTZQXXWFYSUTG-UHFFFAOYSA-N 312.394 3.616 0 40 DHAB Nc1nn2cc(-c3ccc(Cl)s3)nc2c2ccccc12 3299694 ZJKMPHYUVJSMLJ-UHFFFAOYSA-N 300.774 3.847 0 40 DHAB CCc1ccc2[nH]c(C)c(CC(=O)NCc3ccc(C)o3)c2c1 4671953 CZIGFKBRDZIOGQ-UHFFFAOYSA-N 310.397 3.799 0 40 DHAB CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 5072611 WCZICFAQRFQPAP-UHFFFAOYSA-N 311.307 3.876 0 40 DHAB CCCc1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)cc1 5360344 QTUZFWABLOJGNO-UHFFFAOYSA-N 322.364 3.555 0 40 DHAB COc1cc(OC)cc(C(=O)N(C)Cc2ccccc2Cl)c1 5458634 XOPRSAXFWKVCLT-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 5513272 SAYACEKUFKZYCD-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB COc1ccc(SCCCn2c(=O)[nH]c3ccccc32)cc1 6586966 DYTUAELOQLBFAU-UHFFFAOYSA-N 314.410 3.521 0 40 DHAB COc1ccc(CNC(=O)Cc2coc3ccc(C)cc23)cc1 6809742 VCSMFHVNBURXIU-UHFFFAOYSA-N 309.365 3.609 0 40 DHAB CN1[C@H]2CC[C@@H]1CC(OC(=O)c1ccc(-c3ccccc3)o1)C2 6995550 ZWBZWJPGCVOBFD-XYPWUTKMSA-N 311.381 3.729 0 40 DHAB Cc1occc1-c1nnc(SC[C@@H]2CC2(Cl)Cl)n1C 7217255 KVZUCTHIIVNZRE-QMMMGPOBSA-N 318.229 3.669 0 40 DHAB O=C(NCc1ccco1)c1ccc(SC(F)(F)F)cc1 7752608 BAJQFFVJZXKOGG-UHFFFAOYSA-N 301.289 3.822 0 40 DHAB Cc1csc(SCC(=O)N(C)Cc2ccccc2C)n1 7779234 IVPIZGSBXOPWDL-UHFFFAOYSA-N 306.456 3.511 0 40 DHAB O=C(CCC(=O)c1ccc(F)cc1)NCc1cccc(Cl)c1 8034670 VKMINQJFENUVNL-UHFFFAOYSA-N 319.763 3.758 0 40 DHAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cccs1 8293632 RAVRJHBWPYLPGZ-UHFFFAOYSA-N 320.757 3.809 0 40 DHAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c[nH]nc12 8615303 NLDGHLGLNVFXFH-JMCXLBPQSA-N 312.457 3.747 0 40 DHAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1cccs1)N3 9549862 RAISXUPLKZSPNI-CYBMUJFWSA-N 315.423 3.829 0 40 DHAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)Nc1ccccc1 12355573 PGVWOJHAEYVEPT-INIZCTEOSA-N 315.442 3.707 0 40 DHAB O=P(O)(O)[C@@H](Nc1ccc2c(c1)CCC2)c1ccsc1 12523580 AGMLEJKHHSILQD-CQSZACIVSA-N 309.327 3.525 0 40 DHAB CC(=O)c1ccc(NC(=O)c2ccc(Br)s2)cc1 13017439 JTMJSGHIHOQLNJ-UHFFFAOYSA-N 324.199 3.966 0 40 DHAB CCOc1ccc(OCCC(=O)Nc2cc(F)ccc2C)cc1 14190619 DTBMUJFUEACUQZ-UHFFFAOYSA-N 317.360 3.940 0 40 DHAB c1nc(SCc2ccc3c(c2)OCO3)c2ccsc2n1 14200734 CIFUUPYCXNMCCB-UHFFFAOYSA-N 302.380 3.712 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2)cc1 14738046 ZRFZLDFJKQTMJF-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB C[C@@H]1CN1P(=O)(Oc1cccc2ccccc12)N1C[C@H]1C 16991413 VHFHHVZUPGCQJK-RMYDXBPQSA-N 302.314 3.735 0 40 DHAB Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 18106732 CKQYFMVYWHXHJL-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB O=c1[nH]c(-c2ccncc2)nc2scc(-c3cccs3)c12 20369845 BYYPBAPWKFZTIO-UHFFFAOYSA-N 311.391 3.775 0 40 DHAB CC(C)n1c(=O)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 27534036 PZGCLVMSDFFVMQ-UHFFFAOYSA-N 324.424 3.543 0 40 DHAB CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 27581892 IFEKPPILQYZJHT-SFHVURJKSA-N 302.462 3.828 0 40 DHAB CC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 28879198 RIMJDRLTCDMEEI-GOSISDBHSA-N 321.424 3.502 0 40 DHAB c1ccc(CCN2CCC[C@H](c3nc4ccccc4o3)C2)nc1 29824806 OMWGKTVSDVNEQO-HNNXBMFYSA-N 307.397 3.645 0 40 DHAB CC[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1 30515496 KJCDKPDEAVBBSO-INIZCTEOSA-N 319.408 3.796 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 32109881 OJFXQKVYFHRGRT-OCCSQVGLSA-N 305.418 3.648 0 40 DHAB O=C(NC1CC1)c1cc(NCc2cccs2)nc2ccccc12 32837501 CAUBSJIMSJOOJI-UHFFFAOYSA-N 323.421 3.801 0 40 DHAB O=C(NCc1ccc(Cl)s1)N1CCC[C@H]1c1ccncc1 44971181 UZVQWDDBKWCHNM-ZDUSSCGKSA-N 321.833 3.843 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c(F)c1 49244085 MABJTYRFHMABKB-UHFFFAOYSA-N 304.708 3.802 0 40 DHAB C[C@H](O)c1ccc(CNC(=O)Nc2ccccc2Cl)cc1 53755854 QLWLCQRMRWQJRY-NSHDSACASA-N 304.777 3.715 0 40 DHAB Cc1ncsc1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 58113834 GZZLUHUWKBBWNP-UHFFFAOYSA-N 318.789 3.543 0 40 DHAB O=C(Nc1cc(F)cc(N2CCCC2)c1)c1c(F)cccc1F 58283331 CSDKJJVWEPZHEM-UHFFFAOYSA-N 320.314 3.956 0 40 DHAB Cc1ccc(NC(=S)NCCOc2cc(C)cc(C)c2)cc1 63674559 VXDGCOKYZRDSMO-UHFFFAOYSA-N 314.454 3.977 0 40 DHAB CC(=O)c1sc(C2(NC(=O)OC(C)(C)C)CCCC2)nc1C 65547772 MLSHLOYGSNVPKZ-UHFFFAOYSA-N 324.446 3.948 0 40 DHAB C[C@@H](CCNC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccccc1 69668319 XILOBYQJJLFRCN-KBXCAEBGSA-N 323.392 3.598 0 40 DHAB O=C(Nc1c(F)cccc1Oc1ccccc1)c1cnccn1 69893640 AQMRLWQJQGHTIK-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB CCc1ccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 72331281 OVVHTOICXYWSCE-UHFFFAOYSA-N 322.452 3.828 0 40 DHAB Cc1cc(-c2cnc(NCc3cccnc3)nc2C(C)(C)C)on1 72341128 NRLVVOQTJKCPIH-UHFFFAOYSA-N 323.400 3.745 0 40 DHAB C[S@](=O)Cc1cc(NC(=O)C[C@H]2C=CCC2)ccc1Cl 79361153 SOYWLCMFAANCJG-PRWKNARSSA-N 311.834 3.513 0 40 DHAB Cc1ccccc1CCCOC(=O)c1ncoc1[C@@H]1CCCO1 89689330 FRCAROZXIVTMBO-HNNXBMFYSA-N 315.369 3.624 0 40 DHAB CCCN(CCc1ccccn1)C(=O)c1scnc1C1CC1 89782621 CKUWGYJFDZKCAK-UHFFFAOYSA-N 315.442 3.510 0 40 DHAB CCOc1ccc(F)c(C(=O)N2CCc3ccc(F)cc32)c1F 89784789 AWDIUVWCZBFZGI-UHFFFAOYSA-N 321.298 3.706 0 40 DHAB Cc1cc(Br)c(NC(=O)NC(C)C)cc1Cl 95943103 NBFZZCWFPOWFDR-UHFFFAOYSA-N 305.603 3.941 0 40 DHAB CNCc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 95971502 GJVIRSGHYCISFZ-HOTGVXAUSA-N 314.816 3.802 0 40 DHAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(F)c2)no1 95998869 IWGDQVWPYKPGBS-AWEZNQCLSA-N 318.352 3.666 0 40 DHAB CCCc1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)ccn1 96232562 YTTLNXNYPGIFGT-UHFFFAOYSA-N 315.442 3.702 0 40 DHAB CC(C)(C)c1ccc(-c2csc(CS(C)(=O)=O)n2)cc1 96417540 DLJVNMSSWKBLPP-UHFFFAOYSA-N 309.456 3.652 0 40 DHAB CC[C@H](NC(=O)CCc1cscn1)c1cc(F)ccc1F 96419077 WMDQGFGCUTZURU-AWEZNQCLSA-N 310.369 3.621 0 40 DHAB Cc1nc(Oc2cncc(Cl)c2)c2cnn(C(C)(C)C)c2n1 96473884 WIJMWSIAQYSXEM-UHFFFAOYSA-N 317.780 3.730 0 40 DHAB c1csc(-c2nc(CN3CCOC4(CCCC4)C3)co2)c1 96478172 DJYBXGJMCNEKKA-UHFFFAOYSA-N 304.415 3.548 0 40 DHAB O=C(O)c1cccc(Nc2ccnc(Nc3cccc(F)c3)n2)c1 96693902 JMVYSPRBUDZNFO-UHFFFAOYSA-N 324.315 3.801 0 40 DHAB O=C(N1CCC[C@H](c2nccs2)C1)C1(c2ccccc2)CC1 171647347 APDXTHUVGRJFGC-AWEZNQCLSA-N 312.438 3.581 0 40 DHAB CCCOCc1cc(C(=O)N2CCCCCC2)ccc1OC 224417089 PVEWJYOQONEHMV-UHFFFAOYSA-N 305.418 3.638 0 40 DHAB COc1cccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)c1 225100350 CTMXNXWEMPWSFT-IBGZPJMESA-N 322.360 3.923 0 40 DHAB CC[C@H]1N=C(C2CC2)c2cccn2-c2cc3c(cc21)OCCO3 225375320 ZSEBSTQEICVHGQ-CQSZACIVSA-N 308.381 3.912 0 40 DHAB O=C(Nc1ccc(F)cc1F)c1snnc1-c1ccccc1 225759502 OXOCSLRLFMIEPZ-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB COc1ccc2[nH]c(CN3CCC[C@@H](c4nc(C)c[nH]4)C3)cc2c1 257207746 BJBCZLMOALORBA-CQSZACIVSA-N 324.428 3.588 0 40 DHAB COC(=O)c1cc(Cl)ccc1C(=O)C(Cl)(Cl)Cl 575361701 HPUZAVAFKQZEOM-UHFFFAOYSA-N 315.967 3.680 0 40 DHAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ncccn1 585133157 XQDRIMKGULSGJD-GFCCVEGCSA-N 323.425 3.788 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)c(OC)c1 147252 PKCCFUFVEKSNNG-SOFGYWHQSA-N 311.381 3.973 0 40 DHAB CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccccc1Cl 385459 OJKZOAVBTIVAIE-MRXNPFEDSA-N 318.735 3.718 0 40 DHAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 477913 KBIAXNFZLJUXNY-UHFFFAOYSA-N 313.378 3.649 0 40 DHAB COc1ccccc1[C@@H](CC(=O)N1CCCCC1)c1ccco1 487632 IEGKXIUUVLFKLT-MRXNPFEDSA-N 313.397 3.823 0 40 DHAB biogenic CCc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 505949 KMSVJXSSOICPQR-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB O=C1C[C@@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1ccc(Cl)c(Cl)c1 509308 OMEDDFSSTSLOIY-KCWFYHRYSA-N 322.191 3.839 0 40 DHAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3)nc1-2 792528 ZBBQJWOAWRRPPL-UHFFFAOYSA-N 322.389 3.975 0 40 DHAB Fc1ccc(C2(N3CCC4(CC3)OCCO4)CCCCC2)cc1 1688550 YJZBIKKKRXJYEY-UHFFFAOYSA-N 319.420 3.824 0 40 DHAB COC(=O)[C@@H](CCCCCCC(C)C)NC(=O)c1ccccc1 3032836 IRVSABRWYHCZEB-QGZVFWFLSA-N 319.445 3.955 0 40 DHAB biogenic,in-vitro CC(C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccco1 3388497 BEBNWKWNIZGCJI-MDZDMXLPSA-N 313.353 3.598 0 40 DHAB Cc1cccc(Nc2nnc(S[C@H]3CCCC3=O)s2)c1 3561308 LWQPLUPTRGQIGX-LBPRGKRZSA-N 305.428 3.804 0 40 DHAB COc1cc2nc(-c3ccccc3)nc(Cl)c2cc1OC 4218770 NXUAKKINLOJPBS-UHFFFAOYSA-N 300.745 3.967 0 40 DHAB C[C@@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCC1 4416229 KMIMUNJWKNUUOF-YTQUADARSA-N 313.441 3.764 0 40 DHAB CCCSc1nc2sc3c(c2c(=O)n1CC)CCCC3 4903026 GWAFFSODFJDPBR-UHFFFAOYSA-N 308.472 3.859 0 40 DHAB COCc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 7398430 COJIRWKCZRHSKC-UHFFFAOYSA-N 305.761 3.747 0 40 DHAB CCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1 7437439 USVPQPOBXWEVCZ-UHFFFAOYSA-N 308.425 3.636 0 40 DHAB COc1ccccc1NC(=O)c1ccc(NC(=O)C=C(C)C)cc1 8114475 BHASJUGQKCXWRZ-UHFFFAOYSA-N 324.380 3.852 0 40 DHAB CC(C)C(=O)Nc1cccc(C(=O)N2c3ccccc3C[C@@H]2C)c1 9196872 CWGZLCMQLVQWNY-AWEZNQCLSA-N 322.408 3.873 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccccc2Cl)c(C)c1 9888506 JGDNGWGQWIFVHB-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB Cc1c(C(=O)NCCCc2ccccn2)oc2c(C)cccc12 12148601 ZETNFXSACSACOP-UHFFFAOYSA-N 308.381 3.807 0 40 DHAB Cc1cc(C)c2[nH]c(C(=O)NCCC[C@@H]3CCOC3)c(C)c2c1 12204058 RTSGVZISURIDPO-OAHLLOKOSA-N 314.429 3.640 0 40 DHAB O=C(NCCCn1cnc2ccccc21)c1cccc(Cl)c1 12559665 GKUSAZCHARPNIX-UHFFFAOYSA-N 313.788 3.510 0 40 DHAB CCOc1ccc(CNC(=O)CCSc2ccccc2)cc1 13612958 LVPNGVLGZQGKGP-UHFFFAOYSA-N 315.438 3.884 0 40 DHAB O=C(O)c1cccc(-c2ccc(CNCc3ccccc3)o2)c1 13691959 QEOPIKGKTSOCTI-UHFFFAOYSA-N 307.349 3.935 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCOc2ccccc21 14108601 MJVWTPWMBPIOLQ-GOSISDBHSA-N 320.392 3.741 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1ccccc1 14396738 JLITXOQCNGONIM-GOSISDBHSA-N 313.397 3.511 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(N2CCCC2=O)c(Cl)c1 14802665 TXXCDNQISLZGDI-GFCCVEGCSA-N 318.804 3.762 0 40 DHAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)n1 17054505 NNWPKTDQBKEACR-UHFFFAOYSA-N 318.302 3.965 0 40 DHAB CCc1c(C(=O)Nc2cc(C)cc(C)c2)cnn1-c1ccccn1 19910838 QMYKJCNFTPXQAU-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB CSc1ccc([C@@H](C)NC(=O)COc2ccccc2)cc1 20025439 BMNCOOGGYAWVGL-CYBMUJFWSA-N 301.411 3.665 0 40 DHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)NCC2 20028884 YMMCFCFPDSAPLT-QGZVFWFLSA-N 303.789 3.592 0 40 DHAB biogenic Cc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 20520932 LFFVQQCLLAFUQH-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Clc1cc(Br)ccc1OCCCNC1CC1 20524976 VQIXJAPQBZJHDP-UHFFFAOYSA-N 304.615 3.623 0 40 DHAB CC(C)CC(=O)NC[C@H](c1cccs1)N1CCCCCC1 27662522 FLXUPPSIEPRNGJ-OAHLLOKOSA-N 308.491 3.828 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCCC2)o1 27984582 JBHNIHUHOAATOW-SFHVURJKSA-N 324.424 3.683 0 40 DHAB Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1 30847731 XSRRGPISDLXTPK-MRXNPFEDSA-N 317.454 3.792 0 40 DHAB O=C(NCc1csc(Br)c1)Nc1ccccc1 31099709 NEROYTLYJLAYPI-UHFFFAOYSA-N 311.204 3.832 0 40 DHAB CC(=O)CSc1nc(-c2ccccc2)c2nc(C)sc2n1 35682695 FGLSHJKBERNWAS-UHFFFAOYSA-N 315.423 3.743 0 40 DHAB CCOc1ccc(C(=O)NCc2ccccc2C)cc1OCC 36773867 VCLXMHZOOMCELR-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB O=C(C[C@H]1C=CCC1)NC1(c2ccc(Br)cc2)CC1 48206616 INNTUXQFWLGECR-LBPRGKRZSA-N 320.230 3.911 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@@H](C)CC)cc1 48324604 YPPKPIZURXQWGF-KBPBESRZSA-N 305.418 3.599 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)CCc2cc(F)ccc2F)on1 53088764 BHIYSRVEXAANDU-HNNXBMFYSA-N 320.339 3.558 0 40 DHAB O=c1[nH]c(Cc2ccccc2)nc2sc3c(c12)CCCCC3 60486265 XMZDRVVDEKXTRX-UHFFFAOYSA-N 310.422 3.844 0 40 DHAB CC(C)Cc1noc2nc(-c3cccs3)cc(C(=O)O)c12 62710631 WJLRWOGASZKWMW-UHFFFAOYSA-N 302.355 3.848 0 40 DHAB Cc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cn1 69381299 GHLAFERISIZBBH-UHFFFAOYSA-N 319.408 3.891 0 40 DHAB Cc1cccc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 69442722 OQQBAQWXNXHTSB-OAHLLOKOSA-N 317.454 3.592 0 40 DHAB O=C(c1ccoc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 69514518 VEWWTWLJMLFTFT-HNNXBMFYSA-N 323.352 3.697 0 40 DHAB Cc1sc2ncnc(SCC(=O)OC[C@H]3C[C@H]3C)c2c1C 71827957 PHFYALGTPBROQG-LDYMZIIASA-N 322.455 3.599 0 40 DHAB C[C@@H](Nc1cncc(Cl)n1)c1ccc(-c2cncnc2)cc1 75064380 LRGJPNHSBGGPAQ-LLVKDONJSA-N 311.776 3.760 0 40 DHAB CC(C)(Oc1ccc(C(=O)c2ccccc2Cl)cc1)C(=O)O 77285618 OTLZAXXVHHHGDU-UHFFFAOYSA-N 318.756 3.813 0 40 DHAB in-vitro O=C(C[C@@H](O)c1ccccc1)N[C@@H]1CCc2c(Cl)cccc21 91172539 GHWUJDMZUVXOAH-IAGOWNOFSA-N 315.800 3.567 0 40 DHAB C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@H]1c1ccncc1 95414604 FTXKCIOZKCNOMR-YJBOKZPZSA-N 316.445 3.873 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)cc1 96222953 MPUKEBXCPVKDAD-GOSISDBHSA-N 320.392 3.984 0 40 DHAB O=C(NCc1ccncc1)Nc1cc(-c2ccco2)ccc1F 96435478 XYKNSNMRTKKHOW-UHFFFAOYSA-N 311.316 3.802 0 40 DHAB Cc1cnc([C@H](C)NC(=O)N[C@@H](C)Cc2ccsc2)s1 96456304 NEHFENJIZXHTEO-ONGXEEELSA-N 309.460 3.504 0 40 DHAB CC[C@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96519543 YWJJZWUUUUAZFU-MSOLQXFVSA-N 318.438 3.600 0 40 DHAB COc1cc(/C=C2/N=C(C(C)(C)C)OC2=O)cc(Cl)c1OC 96939748 MGPUCBKVMDXQAH-YRNVUSSQSA-N 323.776 3.700 0 40 DHAB CN(C)CC(C)(C)NC(=O)NCc1cccc(OCc2ccccn2)c1 97360566 ZHXOJJXRSFFNTM-UHFFFAOYSA-N 356.470 2.800 0 40 DHAB CN(C)C(=S)/N=c1/ssc(=S)n1C1CCCCC1 104277180 ABWAJSDROQUJFX-ZRDIBKRKSA-N 319.546 3.593 0 40 DHAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccoc2C)c1 131527972 DNINQCNFRRXCBB-LLVKDONJSA-N 318.398 3.666 0 40 DHAB CCc1onc(C)c1NC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 195552999 ODYLYHYTIKBPHV-UKRRQHHQSA-N 323.437 3.651 0 40 DHAB COc1ccc(Cl)cc1C[C@H](Oc1cccc(C)c1)C(=O)O 225119824 BESOQHJQQUTLKB-INIZCTEOSA-N 320.772 3.732 0 40 DHAB Fc1ccc(CCCNC(=S)Nc2cccc(F)c2)cc1 225547207 VIOGPIOTTHRBDX-UHFFFAOYSA-N 306.381 3.884 0 40 DHAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cn1 225899939 CFXVBFSXKUWWLO-KDOFPFPSSA-N 320.433 3.794 0 40 DHAB Cc1cc(-c2nc(C)cs2)nc([C@@H]2CCCN(C(C)C)C2)n1 257332368 XWZARYMOXQQPLU-CQSZACIVSA-N 316.474 3.805 0 40 DHAB COc1ccccc1-c1nnc(CO[C@@H]2CCC[C@H](C)C2)o1 521393850 XVONGWYEGAKBDE-QWHCGFSZSA-N 302.374 3.841 0 40 DHAB COc1cccc2ncnc(Oc3ccc(-n4cccn4)cc3)c12 541190424 RRIVYNSKMFVHFX-UHFFFAOYSA-N 318.336 3.616 0 40 DHAB O=C(O)c1ccc(-c2cn3cccc(C(F)(F)F)c3n2)cc1 575442738 QDYUJNPFIKGZFI-UHFFFAOYSA-N 306.243 3.718 0 40 DHAB O=C(COc1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776009102 VEZRXBBRVBRDJP-HOTGVXAUSA-N 317.816 3.963 0 40 DHAB C[C@H](C(=O)O)c1nc(-c2ccc(Br)cc2)cs1 91 JGQKYWPSFPCKLW-ZETCQYMHSA-N 312.188 3.761 0 40 DHAB in-man CC(C)(Oc1ccc([C@H](O)c2ccc(Cl)cc2)cc1)C(=O)O 297 ASDCLYXOQCGHNT-OAHLLOKOSA-N 320.772 3.664 0 40 DHAB in-man O=C(CSc1ccccn1)Nc1ccccc1Br 31465 UALPYGISOQPJQA-UHFFFAOYSA-N 323.215 3.575 0 40 DHAB COc1ccc([C@H]2CCCC[C@H]2SCC(=O)O)cc1OC 1715782 OIZZURHKYIZIGQ-IUODEOHRSA-N 310.415 3.548 0 40 DHAB CCCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21 1927054 TVIMCGLEZDJDOW-UHFFFAOYSA-N 301.434 3.889 0 40 DHAB CC(C)c1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 2649831 CIIGDULSVYGBRQ-GJZGRUSLSA-N 317.429 3.756 0 40 DHAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1 2692826 QJSZUOPAABTPJM-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB CCn1cc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)c(C)n1 2802959 WFNBGMSBQOPGER-UHFFFAOYSA-N 322.290 3.947 0 40 DHAB CCc1cccc(CC)c1NC(=O)[C@H]1COc2ccccc2O1 4570190 HLFPHAWVGRGJMA-QGZVFWFLSA-N 311.381 3.590 0 40 DHAB Cc1ccc(-c2nc3c(s2)CN(C(=O)c2ccco2)CC3)cc1 5452261 MDNDDNZWYOGKGS-UHFFFAOYSA-N 324.405 3.910 0 40 DHAB CC(C)OCCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 6307130 OLCDVGPGARYDGS-GFCCVEGCSA-N 315.866 3.752 0 40 DHAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccccc1 6436922 HKXGCBWKPJHYSK-UHFFFAOYSA-N 315.394 3.579 0 40 DHAB O=C(NCc1cccs1)c1cc(Cl)nc2ccccc12 6608621 JUIRUXXIAVQBIF-UHFFFAOYSA-N 302.786 3.880 0 40 DHAB Cc1nnsc1C(=O)OCc1c(Cl)cccc1Cl 6940693 ONODGYZKEKDKFF-UHFFFAOYSA-N 303.170 3.510 0 40 DHAB COc1ccc(OC)c(CSc2ncnc3ccccc23)c1 7151912 UATBZNYYGNVOAM-UHFFFAOYSA-N 312.394 3.939 0 40 DHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)c(Cl)c1 7409044 BHOOVIBCTYVYIP-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB O=C(Nc1ccnn1C1CCCC1)c1ccccc1OC(F)F 8429202 RVFDQHHXCBNOHF-UHFFFAOYSA-N 321.327 3.852 0 40 DHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1O 8762853 QKNGNDBRVOUHCT-UHFFFAOYSA-N 316.407 3.758 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)c1 8944380 AGUASBCDDPTOBT-NWDGAFQWSA-N 324.380 3.782 0 40 DHAB CCCCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 9063241 BQUBOEDQOXKHOX-UHFFFAOYSA-N 322.880 3.858 0 40 DHAB O=S(=O)(Nc1cccc(Cl)c1)c1ccccc1Cl 9513855 HUWIJZFNWDKPBW-UHFFFAOYSA-N 302.182 3.794 0 40 DHAB O=C(CCSc1ccccc1)NCCCN1CCCCCC1 10111106 CJNAWXYWHKWASL-UHFFFAOYSA-N 320.502 3.551 0 40 DHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1 10135144 RNCYXMFCFOXIRW-UHFFFAOYSA-N 313.445 3.906 0 40 DHAB CC(C)(C)C(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 12088209 HPDYQJFXMPCQKF-UHFFFAOYSA-N 319.408 3.937 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2Cc2ccccc2)c1C 12746426 JVSOGTDNXPCTEM-KRWDZBQOSA-N 324.424 3.681 0 40 DHAB CCOC(=O)[C@@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 13629820 WHYIQHUTPUWFFS-RBUKOAKNSA-N 310.397 3.522 0 40 DHAB C[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccccc1 15744813 UDGPVSYMYJISCC-LBPRGKRZSA-N 318.214 3.983 0 40 DHAB O=C(NC1CCCC1)N(Cc1ccco1)Cc1cccs1 17698086 GGAHQKCLABOYJZ-UHFFFAOYSA-N 304.415 3.996 0 40 DHAB O=C(Nc1cccc2ncccc12)c1ccc2c(c1)OCCCO2 19598330 YFGRWRPFJMQJSI-UHFFFAOYSA-N 320.348 3.648 0 40 DHAB CC(C)Oc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1 20733669 AENPWSWTFUXLTA-CQSZACIVSA-N 303.387 3.621 0 40 DHAB Clc1cc(Cn2cnc3ccccc32)cc2c1OCCO2 21997341 VREHDJGCZPFLCY-UHFFFAOYSA-N 300.745 3.509 0 40 DHAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccccc1 24247788 AUBHCFYSJCDUEP-UHFFFAOYSA-N 320.348 3.891 0 40 DHAB Cc1ccc2c(Cl)c(C(=O)Nc3nonc3C)sc2c1 27664116 UZPKTCYWWSRQRN-UHFFFAOYSA-N 307.762 3.807 0 40 DHAB O=C(OCc1cc2ccccc2nc1Cl)C1(O)CCCCC1 29620236 CTSOLVGBIDVEBQ-UHFFFAOYSA-N 319.788 3.627 0 40 DHAB O=C(NOCc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 29728589 GTMUFYKRDDDVAY-STQMWFEESA-N 316.323 3.539 0 40 DHAB CC(=O)Nc1cccc(OC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 32996075 REEQEPQVFFIQPZ-UHFFFAOYSA-N 322.364 3.962 0 40 DHAB CC(C)Oc1ccc(C(=O)N2CCOC23CCCCC3)cc1 35671118 KFIVCCKTDWCPOH-UHFFFAOYSA-N 303.402 3.607 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)c(OC)c1 40473834 UJESKAGWSGNCBV-YOEHRIQHSA-N 315.413 3.724 0 40 DHAB O=C(NCc1cccs1)c1cc(-c2ccc(F)cc2)c[nH]1 42384308 YMSYMYIGHJFREH-UHFFFAOYSA-N 300.358 3.812 0 40 DHAB COc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1F 46663318 VFPJSTWILHLZAU-UHFFFAOYSA-N 317.360 3.552 0 40 DHAB COCc1cccc(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)c1 48300426 KESGMBGIXUOIKM-UHFFFAOYSA-N 322.408 3.861 0 40 DHAB COCCCc1nc2sc(-c3ccccc3)c(C)c2c(=O)[nH]1 50186605 NAAMESYCQJRLSH-UHFFFAOYSA-N 314.410 3.539 0 40 DHAB C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@@H](C)O1 54675193 AXOXDGJSSWQIOC-NXEZZACHSA-N 324.833 3.646 0 40 DHAB O=C(Nc1cn[nH]c1)N1CCc2sccc2[C@H]1c1ccccc1 57029776 RXYGXOFZNNCIDG-MRXNPFEDSA-N 324.409 3.651 0 40 DHAB C/C(=C\C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)C1CC1 57072342 QYPVKVGVLRNVRU-HFBDAHEESA-N 310.397 3.890 0 40 DHAB O=C(CC1CCCC1)NCC1(c2ccc(F)cc2)CCOCC1 58197852 MWLAYZUGNYMCLN-UHFFFAOYSA-N 319.420 3.570 0 40 DHAB CCCCS[C@@H](C)C(=O)Nc1ccccc1-c1nc(C)n[nH]1 58316233 LMNGHPBPPWRBQN-NSHDSACASA-N 318.446 3.640 0 40 DHAB Cc1ccc([C@@H](O)C(=O)c2ccc(Br)cc2)cc1 60222920 KWCNRDXQMJLJFH-CQSZACIVSA-N 305.171 3.674 0 40 DHAB COc1ccc(C)c(NC(=S)Nc2ccc(OC)c(F)c2)c1 71325890 PENPYZUOCJLLBJ-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cc1cnn([C@H](C)[C@@H](C)NCc2nc3ccccc3s2)c1 72269834 CKVKDJOPQLRVIX-CHWSQXEVSA-N 300.431 3.541 0 40 DHAB Cc1ncc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)s1 72288144 WBPXZPKZEFMCBE-UHFFFAOYSA-N 300.387 3.634 0 40 DHAB CCOCCCNc1ncc(-c2cc(C)no2)c(C(C)(C)C)n1 72341137 RIAUTEOBPXODOF-UHFFFAOYSA-N 318.421 3.576 0 40 DHAB COc1ccc(NCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 72396078 QSMXGEWOLFTKHE-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB CC[C@H](c1ccccc1)N(C)Cc1nc(-c2cccnc2)no1 78716761 BSSRQQAUMHWMTG-MRXNPFEDSA-N 308.385 3.715 0 40 DHAB O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H]1C1CCC1 84444901 OBZITHBKXWDHBX-AWEZNQCLSA-N 316.426 3.737 0 40 DHAB Cc1cc(CC(=O)N[C@@H](c2ccccc2F)C2CCCC2)no1 88251097 GAHJCLPNLFWQSI-GOSISDBHSA-N 316.376 3.712 0 40 DHAB Cc1ccc(-c2noc(COc3ccc(C=O)cc3)n2)cc1C 89262925 MMAFTMSUYTTXCQ-UHFFFAOYSA-N 308.337 3.745 0 40 DHAB CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(C(C)(C)C)cc2)C1 95752099 YIWWHBLNPHYESE-INIZCTEOSA-N 318.461 3.866 0 40 DHAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(C(C)C)C1CC1 95944976 WUNVQZABYCPPNZ-LBPRGKRZSA-N 306.454 3.590 0 40 DHAB CCC(CC)n1nc(C(=O)N(CC)c2ccncc2)cc1C 95988889 CAMLDTJGVLYVKN-UHFFFAOYSA-N 300.406 3.614 0 40 DHAB CN(Cc1cccnc1)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 95995188 VCMRYUWELCYTNN-GFCCVEGCSA-N 317.355 3.590 0 40 DHAB CSc1ccc([C@@H](O)CNC(=O)Nc2ccccc2C)cc1 96103292 FOMARDZAGYTOHX-INIZCTEOSA-N 316.426 3.572 0 40 DHAB O=C(NCCc1ccccn1)[C@@H]1C[C@@H]1c1cccc2ccccc12 96404782 XHUPBAUHPCJXNU-WOJBJXKFSA-N 316.404 3.697 0 40 DHAB Fc1ccc(Br)c(NCc2nnsc2Cl)c1 96462624 HYJXACNRWYKQNA-UHFFFAOYSA-N 322.590 3.705 0 40 DHAB CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccncc1 107151199 WOARYIGUEIKZLM-BPLDGKMQSA-N 307.463 3.506 0 40 DHAB C[C@H](OC(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1C 108320402 HTNKJHFZLVXDDT-SLEUVZQESA-N 323.820 3.580 0 40 DHAB Cc1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc1C 218738233 OMGOJSAYQYVSNT-UHFFFAOYSA-N 323.348 3.676 0 40 DHAB Cc1ccc(CNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219851825 CPOHJYBGXQHNDB-UHFFFAOYSA-N 322.452 3.836 0 40 DHAB S=C(NCCCc1ccccc1)Nc1ccc(Cl)cn1 223960468 IIECYNUGVHQTKL-UHFFFAOYSA-N 305.834 3.654 0 40 DHAB CCOc1ccc(C(=O)NC)cc1COc1ccccc1Cl 224474164 YVPDIDUIJXCCIR-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB COc1ccc(N)cc1-c1ccc(C(=O)N(C)c2ccccc2)o1 226304080 NMBZRGACVVFEDI-UHFFFAOYSA-N 322.364 3.814 0 40 DHAB CCCCC(=O)Nc1cc(OC)ccc1-c1ccc(C(=O)O)o1 226351864 JTEKBINSBKOXCI-UHFFFAOYSA-N 317.341 3.782 0 40 DHAB CCC[C@@H]1O[C@@H]2c3c(O)cccc3OC(C)(C)[C@H]2C[C@H]1C(=O)O 257279277 OFWNHOKTTKCVHS-IZBNFRDHSA-N 320.385 3.510 0 40 DHAB C[C@H](C(=O)NCc1c(F)cc(F)cc1F)c1cccc(F)c1 511017475 RAUSTEUGRKUHIT-VIFPVBQESA-N 311.278 3.663 0 40 DHAB COc1ccccc1[C@H]1CCCN1Cc1cc(C)c(C(=O)O)o1 563726019 WXHDQEFDEHPNNI-OAHLLOKOSA-N 315.369 3.632 0 40 DHAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccsc1 585146691 CTFMHSIHICJBTP-LBPRGKRZSA-N 303.408 3.965 0 40 DHAB O=C(NCc1ccccc1)c1ccc(N2CCCCCC2)cc1 1530029055 NQDIZFBUQXCTJU-UHFFFAOYSA-N 308.425 3.997 0 40 DHAB Cc1ccc(C)c(NC2=CC(=O)N(c3cc(C)ccc3C)C2=O)c1 149905 URWVWTHJWHDABI-UHFFFAOYSA-N 320.392 3.789 0 40 DHAB COc1ccc(C2=C(C)C[C@@H](c3ccccc3)NC2=O)cc1OC 503646 MTWREUXOFYVNPI-INIZCTEOSA-N 323.392 3.739 0 40 DHAB COc1cccc(-c2nn3c(-c4ccccc4C)nnc3s2)c1 532354 FWCZUVXLDYPARY-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1COc2ccccc2O1 563658 SBTKJRXGVZQUHF-CQSZACIVSA-N 324.163 3.772 0 40 DHAB COC(=O)c1oc2c(c1C)-c1nc3ccccc3nc1C(C)(C)C2 1430729 LTUOJWPPNXUGHQ-UHFFFAOYSA-N 322.364 3.819 0 40 DHAB biogenic O=C(CSc1ccccc1C(=O)O)NC1CCCCCCC1 3223087 WJCIEXIEFPHIGF-UHFFFAOYSA-N 321.442 3.706 0 40 DHAB CCC(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 3256712 FPSBJSXTAGEDNL-AWEZNQCLSA-N 323.392 3.636 0 40 DHAB O=C(OCc1ccc(F)cc1Cl)c1ccc2c(c1)OCCO2 3414564 LSHZNZBXEVSZJF-UHFFFAOYSA-N 322.719 3.607 0 40 DHAB Cc1cc(N2CCN(c3ccccn3)CC2)nc2c(C)cccc12 3434988 VYRFHBTZUNUSKW-UHFFFAOYSA-N 318.424 3.573 0 40 DHAB CCc1nnc(NC(=O)c2cc3c(s2)CCCCC3)s1 3477307 GHQJXEBIEMYWEU-UHFFFAOYSA-N 307.444 3.683 0 40 DHAB O=C(Cc1ccccc1)Nc1ccc(Br)cc1F 4666149 RLXRSCSPGXSHPS-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(F)cc3)C2=O)cc1 5234439 KYKYJWIRVQJLMD-CQSZACIVSA-N 316.357 3.772 0 40 DHAB Cc1cc(N)n(-c2cc(-c3ccccc3)c3ccccc3n2)n1 5570690 ZGGRZYBGVXYFKS-UHFFFAOYSA-N 300.365 3.978 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccco1 5858261 AVQLFZCIXHNSGO-LBPRGKRZSA-N 301.342 3.589 0 40 DHAB CC(C)NC1=NN=C(c2ccc(Cl)c(Cl)c2)CS1 5861158 JJBFYJBFVBZYLJ-UHFFFAOYSA-N 302.230 3.798 0 40 DHAB CC(C)c1nnc(SCC(=O)Nc2ccccc2Cl)o1 6050103 MIOREDOWKHUAGV-UHFFFAOYSA-N 311.794 3.577 0 40 DHAB S=C(NCc1ccccc1)N1CCC(c2ccccc2)CC1 6282159 NAMSOZBDNLVHAM-UHFFFAOYSA-N 310.466 3.941 0 40 DHAB CC(C)OCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl 6307077 HNPDWSUIZVMQGC-FNORWQNLSA-N 316.228 3.938 0 40 DHAB CCOC(=O)c1ccccc1NC(=S)Nc1ccccc1 6630729 ZOPVGJLCXRPXGY-UHFFFAOYSA-N 300.383 3.672 0 40 DHAB CC1CCC(NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 7213500 RZSDTGWUGPGYOI-UHFFFAOYSA-N 322.257 3.850 0 40 DHAB Cc1cc(CN2C(=O)c3ccccc3C2=O)c2[nH]c(C)c(C)c2c1 7636347 SBYNUKPARJDXAC-UHFFFAOYSA-N 318.376 3.889 0 40 DHAB CC(C)Oc1ccc(C(=O)OCCOc2ccccc2F)cc1 8036316 KPHNJFDNEBPGCH-UHFFFAOYSA-N 318.344 3.849 0 40 DHAB CC(C)[C@@H](CC(=O)N(C)[C@@H]1CCOC(C)(C)C1)c1ccco1 9547316 WVZVDSQHFZNLSC-HUUCEWRRSA-N 307.434 3.825 0 40 DHAB CCOC(=O)c1oc2cc(NC(=O)c3cccnc3)ccc2c1C 9659888 OBOHXNSGIMBVRN-UHFFFAOYSA-N 324.336 3.565 0 40 DHAB biogenic CCC(CC)(CC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)O 11254733 AITBTGISSHVIOO-UHFFFAOYSA-N 313.781 3.568 0 40 DHAB Cc1cccc(NCC(=O)N2CCSc3ccccc32)c1C 12553338 RHNLMYOLLPFRBY-UHFFFAOYSA-N 312.438 3.854 0 40 DHAB C[C@@H](NC(=O)NCCc1ccc(F)cc1)c1ccc(F)c(F)c1 12582146 YJIBZJIRELTIPM-LLVKDONJSA-N 322.330 3.707 0 40 DHAB CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccsc1 12751412 GXZVINPCQCESCM-GFCCVEGCSA-N 320.483 3.929 0 40 DHAB O=C(Cc1cccs1)Nc1ccccc1OCC(F)(F)F 14127406 SNBKSPDWRSQVOZ-UHFFFAOYSA-N 315.316 3.870 0 40 DHAB CN(Cc1cccc(I)c1)c1ccccc1 16123591 GQRHQVTWIFPTDR-UHFFFAOYSA-N 323.177 3.928 0 40 DHAB COc1ccc(/C=C\C(=O)OCCc2ccccc2)cc1OC 17250859 OHBFHJOQNCVEOU-LUAWRHEFSA-N 312.365 3.503 0 40 DHAB CC(C)(C)c1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1 19910513 GQNYGGUFQQOCGN-UHFFFAOYSA-N 320.396 3.817 0 40 DHAB Cc1cc(CSCCC(=O)Nc2cccc(Cl)c2)no1 27191320 MMVCCMQULJEGHE-UHFFFAOYSA-N 310.806 3.898 0 40 DHAB Cc1ccc(-n2cnnc2SCc2cccnc2)cc1Cl 27810009 CKBLDHDJMWTQAP-UHFFFAOYSA-N 316.817 3.916 0 40 DHAB CC(C)[C@H](NC(=O)CN1C[C@H](C)C[C@@H](C)C1)c1cccs1 29596994 GHQSAUPEWUARBG-CPUCHLNUSA-N 308.491 3.539 0 40 DHAB Cc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1 30873237 YOAURDVPKIGHRZ-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB O=C(Nc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 32787429 MWLILCKUIIAVMY-UHFFFAOYSA-N 307.271 3.893 0 40 DHAB Cc1ccc2c(c1)S[C@H](C(=O)N(C)Cc1ccsc1)C2 32879951 BJRVHSGLSKVPSI-HNNXBMFYSA-N 303.452 3.732 0 40 DHAB CC(C)CCC[C@@H](C)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 32901209 IMUCCNGYPHZXOZ-DOMZBBRYSA-N 320.408 3.583 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2cc[nH]c2c1 33227984 XJCPZMVCXVWRQO-UHFFFAOYSA-N 319.364 3.547 0 40 DHAB Cc1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 38833260 PHPNGASGRHILGN-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB O=C(CSCc1ccccc1)NCCSC1CCCC1 46450466 JZUCRQWNIIJIFP-UHFFFAOYSA-N 309.500 3.712 0 40 DHAB O=C(c1cc2ccccc2[nH]1)N1CCC(Oc2ccccc2)CC1 52797988 OAWJTKCOIYNFJB-UHFFFAOYSA-N 320.392 3.852 0 40 DHAB Fc1ccc2c(c1)[C@@H](NC(=S)NC1CCCCC1)CCCO2 53534053 PRIJJTBYBBGPRR-HNNXBMFYSA-N 322.449 3.836 0 40 DHAB Cc1noc([C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)n1 54661164 PYJSIQXDHOOXRC-HNNXBMFYSA-N 321.380 3.551 0 40 DHAB CCc1c(-c2cc3cccc(OC)c3oc2=O)nc2ccccn12 57523638 HJULLANWJVBTNR-UHFFFAOYSA-N 320.348 3.679 0 40 DHAB C[C@@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1 57722124 NURBNWLPVWCXFH-CXAGYDPISA-N 316.832 3.820 0 40 DHAB C[C@H](Nc1ccc(NC(=O)c2cnsn2)cc1)c1ccccc1 58420584 SJHIGULTAVNHQS-LBPRGKRZSA-N 324.409 3.964 0 40 DHAB O=C(NCCc1nc2c(s1)CCCC2)c1ccccc1Cl 69327049 MBVTVGGKACHPBT-UHFFFAOYSA-N 320.845 3.648 0 40 DHAB CCn1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cn1 69462716 PKCFMTRUAMACSZ-KRWDZBQOSA-N 313.401 3.542 0 40 DHAB CCCOc1ccc(Cl)cc1-c1noc(C2CCNCC2)n1 72209134 XIGYCPUPPXEHLE-UHFFFAOYSA-N 321.808 3.646 0 40 DHAB COc1ncc([C@@H]2CCCCN2C(=O)c2ccccc2)cc1C 72217757 WWDPOLLZNUABCD-KRWDZBQOSA-N 310.397 3.766 0 40 DHAB Cc1cc(N2CCCCCC2)ncc1CNC(=O)OC(C)(C)C 72223521 VXKRPFFNUAZNJY-UHFFFAOYSA-N 319.449 3.795 0 40 DHAB CC(=O)Nc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1 72331667 IBFGYIJXWDNBMC-UHFFFAOYSA-N 310.397 3.698 0 40 DHAB CC[C@H](NC(=O)NCc1csc(C(C)C)n1)c1nccs1 76018533 XDNJDYKKRGHRQI-NSHDSACASA-N 324.475 3.674 0 40 DHAB C[C@@H](C(=O)Nc1ccc(CCN(C)C)cc1)c1cccs1 78109321 FQDZHIBTTBEKRU-CYBMUJFWSA-N 302.443 3.594 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1 79361170 BJWXOWQRFGOSPM-NRFANRHFSA-N 321.829 3.779 0 40 DHAB O=C(O)c1cnc2cc(C(F)(F)F)ccc2c1Br 85386521 SJGGIRYPNFGMTC-UHFFFAOYSA-N 320.064 3.714 0 40 DHAB CC(=O)Nc1ccc(NCCCOCC(F)(F)F)c(Cl)c1 86205607 PGJIDXQMHSQURM-UHFFFAOYSA-N 324.730 3.679 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccccc2F)C1 89212723 WSHIXPRCKVXCHM-AWEZNQCLSA-N 322.424 3.562 0 40 DHAB Cc1nc(S[C@@H](C)c2cn(-c3ccccc3)nn2)oc1C 89558663 UFKDLWDOSSTLNJ-LBPRGKRZSA-N 300.387 3.725 0 40 DHAB C[C@@H](O)CC(C)(C)CNC(=O)c1ccccc1-c1ccccc1 89894773 OMLADRXDYUSGKS-OAHLLOKOSA-N 311.425 3.881 0 40 DHAB Cc1cnc(COC(=O)c2nc(C)sc2-c2ccccc2)o1 95466122 PGUJRVPPIHGVAA-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB Cc1cccc2c1N[C@@H](c1ccc3c(c1)CC(C)(C)O3)NC2=O 95948565 FYPPWCGUUUYAFO-QGZVFWFLSA-N 308.381 3.563 0 40 DHAB COc1ccc(C(=O)Nc2ccnc(C3CCCC3)n2)c(F)c1 96006625 DYAYCYIHDLEKRX-UHFFFAOYSA-N 315.348 3.534 0 40 DHAB CSC[C@@H](C)N(C)C(=O)Nc1cccc(N2CCCCC2)c1 96413377 UVYKNXAYNHXNEP-CQSZACIVSA-N 321.490 3.892 0 40 DHAB CC(C)Cn1ccnc1CN[C@@H]1CSCCc2ccccc21 96478396 VWKPJFGBBDOWPG-QGZVFWFLSA-N 315.486 3.659 0 40 DHAB COc1ccc(-c2c(C)nn3c(O)cc(C(C)(C)C)nc23)cc1 100163333 BXANADLHINFBBV-UHFFFAOYSA-N 311.385 3.716 0 40 DHAB Cc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1F 101084769 TUUPFRMOZOQJLW-QAPCUYQASA-N 312.344 3.904 0 40 DHAB CC1(C)CCCC(C)(C)N1C[C@H](O)COC[C@H]1C[C@@H]2CC[C@@H]1C2 101244204 CDWNVYOEAWOXCA-TVFCKZIOSA-N 323.521 3.843 0 40 DHAB COc1ccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)cc1 225102808 SOKDUDZNIZPEAC-IBGZPJMESA-N 322.360 3.923 0 40 DHAB CCCO[C@](C)(C(=O)Nc1ccc(OC)c(Cl)c1)C1CC1 225674577 BGWJDGGBOVBLFO-INIZCTEOSA-N 311.809 3.882 0 40 DHAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)c[nH]c12 409136106 SCDCDHSXTVTULO-JYRVWZFOSA-N 300.383 3.787 0 40 DHAB CC1(C)CC[C@H](Sc2nncn2CCc2ccccn2)C1 577279359 MQIWLQBGMNJHJL-AWEZNQCLSA-N 302.447 3.587 0 40 DHAB C[C@@H]1C[C@@H](OC(=O)CCSc2ccccc2)c2nccn21 585136169 UNOWNAGWGPVRKM-TZMCWYRMSA-N 302.399 3.615 0 40 DHAB O=C1OC(C(F)(F)F)(C(F)(F)F)CN1Cc1ccccc1 604221808 ODWYYAOKVJPSAK-UHFFFAOYSA-N 313.197 3.502 0 40 DHAB O=C(NCC(c1ccco1)c1ccco1)c1cc2ccccc2[nH]1 675007739 MGPRWVGUDIYDRR-UHFFFAOYSA-N 320.348 3.916 0 40 DHAB Cc1ccc(C2=NN=C(N3CCCCC3)[C@H]3C=CC=C[C@H]23)cc1 1465511 LMRZANAIQNLWBF-ROUUACIJSA-N 305.425 3.956 0 40 DHAB COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccccc1 1685326 ZEKCBTQHDTUHRJ-UHFFFAOYSA-N 309.365 3.634 0 40 DHAB in-vivo CCCOc1ccc(-c2csc3ncn(CC)c(=O)c23)cc1 1911978 QHFMHRZWFDJCFP-UHFFFAOYSA-N 314.410 3.934 0 40 DHAB COc1ccc(S(=O)(=O)Oc2cc(C)ccc2C(C)C)cc1 2069536 IIIWTQJIMRDDAM-UHFFFAOYSA-N 320.410 3.895 0 40 DHAB O=C(COc1cccc(Cl)c1Cl)NCc1cccs1 2632296 SSSXQARBBLITHI-UHFFFAOYSA-N 316.209 3.750 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)on2)cc1 2794453 JNRKOWOIKFAGBL-CYBMUJFWSA-N 322.364 3.841 0 40 DHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncnc2ccccc12 3263565 VYWPWDJDNVEWIM-STQMWFEESA-N 315.442 3.511 0 40 DHAB C[C@@H](CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 4028055 XTBMRTNKDDLAMA-YTQUADARSA-N 315.457 3.988 0 40 DHAB biogenic Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12 4165447 ZOUZSYLRQPADOJ-UHFFFAOYSA-N 319.320 3.687 0 40 DHAB CC(C)C(=O)N1CCCc2cc(NC(=O)C(C)(C)C)ccc21 5374119 WZKOVVHYFDUSLU-UHFFFAOYSA-N 302.418 3.606 0 40 DHAB CCCCCCNC(=O)CCCCC(=O)NCCCCCC 5417991 BJRDIUUDPYIWGK-UHFFFAOYSA-N 312.498 3.940 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCCC[C@@H]2C)c1 5559851 RPLRJQNMFZPNEH-DLBZAZTESA-N 305.462 3.733 0 40 DHAB COc1cccc(NC(=O)CSc2ccc(F)c(F)c2)c1 5565024 KKCXJCJSYQEIHD-UHFFFAOYSA-N 309.337 3.704 0 40 DHAB C[C@](O)(c1cccc(OCc2ccccc2)c1)c1ccccn1 5930187 YIAMFHATNLIDAO-FQEVSTJZSA-N 305.377 3.916 0 40 DHAB CCc1ccc(OCC(=O)NCc2ccccc2Cl)cc1 5954383 RVHFSDHZWOPPPO-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB CC(C)OCCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 6328072 XSVHNCIETMXOMR-FMIVXFBMSA-N 303.446 3.929 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1 7657865 FNWLAXKCAZTUSP-INIZCTEOSA-N 323.392 3.570 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)no1 8747001 WSNQQCQNYUCGMC-NSHDSACASA-N 313.382 3.651 0 40 DHAB O=C(Nc1ccc(F)cc1Cl)c1cnn(-c2ccccc2)c1 8984038 LKHVYUMDBXXYSF-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccccc1 9420164 GXNIBEAXTPWDQI-UHFFFAOYSA-N 319.364 3.868 0 40 DHAB CCCCn1c(C)c(C)c2c(NCc3ccccn3)ncnc21 9423574 UXBKKJLQYHMMHL-UHFFFAOYSA-N 309.417 3.855 0 40 DHAB COc1ccc(Cl)cc1CSC1=N[C@H]2CCCC[C@@H]2N1 9722574 ODDKGRZCRWWFJM-STQMWFEESA-N 310.850 3.852 0 40 DHAB Cc1ccc(C(=O)NCc2coc(-c3cccs3)n2)c(C)c1 10876557 FRPUZLBUOHBSGM-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB Cc1c(C(=O)NCCC[C@H]2CCOC2)oc2c(C)cccc12 12204114 JPXPHLNFDXSATF-AWEZNQCLSA-N 301.386 3.596 0 40 DHAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 13647122 JXNYKUHIZSNCFE-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB COCc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 14247112 NXZKCZDQZLAQEB-NSHDSACASA-N 305.324 3.602 0 40 DHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(F)cc2Cl)c1 15009759 LKDYFPMIXUBNKO-UHFFFAOYSA-N 321.735 3.699 0 40 DHAB Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(F)cc2)s1 19927619 KIHDROLSTULVNE-RNCFNFMXSA-N 308.403 3.758 0 40 DHAB CC(=O)Nc1cc(C(=O)N[C@H]2C[C@@H](C)CC[C@@H]2C)ccc1C 20395599 QFBYVEDMPNEUNS-MKBNYLNASA-N 302.418 3.508 0 40 DHAB CCCCOC(=O)c1ccc2nc(NC(=O)CCC)sc2c1 20411449 KFQFPVPLRABXBW-UHFFFAOYSA-N 320.414 3.992 0 40 DHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc2ccccc12 21932595 MXPUGJJQZNPMSK-UHFFFAOYSA-N 319.360 3.841 0 40 DHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)NC1CCCCC1 23077511 CWGWWDYLNYLWPV-UHFFFAOYSA-N 318.417 3.941 0 40 DHAB CCC[C@@H](C)NC(=O)c1csc(COc2ccc(C)cc2)n1 24471223 ANUMXYWVAHPHTH-CYBMUJFWSA-N 318.442 3.949 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1 30232246 KAHPNBPSRJXSNQ-CYBMUJFWSA-N 302.399 3.511 0 40 DHAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccccc2C)c1 30847241 YDTKFDZTYNHZHW-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB COCCNc1nc(-c2ccc(C)s2)cc(C(F)(F)F)n1 36613297 DNUYUFRRGUHFJL-UHFFFAOYSA-N 317.336 3.591 0 40 DHAB Cc1nc(C)c(C(=O)N(C)Cc2nc3ccccc3s2)s1 44869863 MTDWGYPWSGJUOQ-UHFFFAOYSA-N 317.439 3.642 0 40 DHAB O=C(NCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 54376358 LJSOAOUVZPTTCP-KRWDZBQOSA-N 320.396 3.610 0 40 DHAB CN(C)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 60318467 XZPOZSNFXMFXNO-UHFFFAOYSA-N 314.385 3.889 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCCCCC2)c(C)c1 61247034 AHXDWOXBMLMNIT-UHFFFAOYSA-N 319.518 3.856 0 40 DHAB Cc1nn(C)c2c1[C@H](c1cccc3cccnc13)SCC(O)=N2 61720319 XTPUMUCKGSHYNR-INIZCTEOSA-N 324.409 3.701 0 40 DHAB Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(C)n1C1CC1 64324763 WNNPIVTUKHRALJ-UHFFFAOYSA-N 312.417 3.780 0 40 DHAB CC(C)(C)N1CCC(N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 69382009 CALJSIWKZMXBSZ-OCCSQVGLSA-N 306.416 3.960 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 72232500 ZWDAWRYPPLAOTD-HNNXBMFYSA-N 318.417 3.887 0 40 DHAB CCN(C)c1ccc(C(=O)Nc2ccc3ncccc3c2)cc1 72278441 JOZNILIRISUXID-UHFFFAOYSA-N 305.381 3.943 0 40 DHAB C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cccc(F)c2)C1 72305934 DEDGLWDAROWTIX-YVEFUNNKSA-N 308.397 3.525 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCc2cnn3ccccc23)cc1 75162723 YHLONWWPBWOGCI-UHFFFAOYSA-N 307.397 3.562 0 40 DHAB O=C(/C=C/c1ccco1)Nc1cnc(Oc2ccccc2)nc1 75172115 FZSKIEKFVPNYBM-CMDGGOBGSA-N 307.309 3.514 0 40 DHAB O=C(c1cccc(-n2cccc2)c1)N1CCOc2ccccc21 75567761 FNGXLOFQBBOKSW-UHFFFAOYSA-N 304.349 3.517 0 40 DHAB Cc1nc(CN(C)C(=O)NC[C@H](C)Cc2cccs2)cs1 76087275 FTZQPXJWWMQQSA-LLVKDONJSA-N 323.487 3.533 0 40 DHAB CS(=O)(=O)Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1 78869090 QVIBSHPOVLGRLG-UHFFFAOYSA-N 322.238 3.662 0 40 DHAB Cc1csc(CSc2nnc(C)n2Cc2ccccc2)n1 78879598 CDEFXLOKRZMBLF-UHFFFAOYSA-N 316.455 3.692 0 40 DHAB CCC(=O)N1CC[C@H](NCc2ccc3ccccc3c2)[C@H](C)C1 78897184 WUUXTDPQBHAPPB-BEFAXECRSA-N 310.441 3.576 0 40 DHAB O=c1[nH]c2ccccc2cc1C1=CCN(Cc2ccccc2)CC1 90646353 GQHUAFYOFQRHRS-UHFFFAOYSA-N 316.404 3.817 0 40 DHAB c1ccc2c(c1)SCC[C@H]2NCc1cn2ccsc2n1 95421018 GPFFAXHLVUKIMF-CYBMUJFWSA-N 301.440 3.723 0 40 DHAB CCOC(=O)c1cccc([C@H]2CCCN2C(=O)OC(C)(C)C)c1 95635294 ZWRTWRRZEZUJSL-OAHLLOKOSA-N 319.401 3.935 0 40 DHAB in-vitro CCN(CC(C)(C)O)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 95963182 FKEZQGVFLMDWAE-ROUUACIJSA-N 311.425 3.563 0 40 DHAB C[C@@H](Cc1ccsc1)NC(=O)N[C@@H](c1nccs1)C1CC1 96439354 TUIMFSCRMFFITI-GXFFZTMASA-N 321.471 3.586 0 40 DHAB C[C@H]1C[C@@H](C)n2nccc2N1C(=O)c1cccc(F)c1Cl 96443096 RFXFPEJNZPIYAK-VHSXEESVSA-N 307.756 3.676 0 40 DHAB CC(C)c1cc(NC(=O)N2CCc3c(F)ccc(F)c3C2)no1 96460453 XQPIIEPGJZSVJW-UHFFFAOYSA-N 321.327 3.666 0 40 DHAB Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2cc(C)oc2C)n1 97110436 JVBIFXMVWKJKQS-CABZTGNLSA-N 321.446 3.825 0 40 DHAB CCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)c1cccnc1 104401514 QUZJVIAMMPXGGL-CYBMUJFWSA-N 316.426 3.624 0 40 DHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113950412 MZOINQQNPFQCNL-JOCBIADPSA-N 301.430 3.766 0 40 DHAB COc1ccc(CCCNC(=O)c2cc3ccccc3o2)cc1 219945738 AOKVJOOWYHBVFR-UHFFFAOYSA-N 309.365 3.804 0 40 DHAB C[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)C1 222654963 QEZVPWKWXKCDKR-GJZGRUSLSA-N 301.430 3.591 0 40 DHAB Cc1cccc(OCCNC(=O)CCc2ccc(C)c(C)c2)c1 225123399 KYPHUANZSJQRDQ-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1C 225177712 YIQHFGYLJOWJSQ-UHFFFAOYSA-N 321.779 3.905 0 40 DHAB CN(CCCNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 225634036 MVHXFMNEWLGUEE-UHFFFAOYSA-N 322.452 3.822 0 40 DHAB CCCN(C(=O)c1ccco1)[C@@H](C)CC(=O)Nc1ccccc1 225717650 PBXFAUAPCDDNBC-AWEZNQCLSA-N 314.385 3.549 0 40 DHAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 248380752 RCEYFYWIRNYBBS-ILXVDBEPSA-N 309.409 3.912 0 40 DHAB C[C@H]1C[C@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)CC(C)(C)C1 255189408 PQDWJCQALFHMLQ-YUMQZZPRSA-N 304.221 3.661 0 40 DHAB O=C(C1CCC(F)(F)CC1)N1CCC[C@H](Cc2ccccn2)C1 257304013 SJSGUPCGWIDRTR-CQSZACIVSA-N 322.399 3.688 0 40 DHAB CC(=O)c1cn([C@H](C)C(=O)NCc2ccccc2)c2ccccc12 409206385 NQEDBFVRXNHDNR-CQSZACIVSA-N 320.392 3.721 0 40 DHAB NC(=O)/C=C\c1ccc(OCc2ccc(F)cc2Cl)cc1 409416240 NZBBPLABQMQXNS-BAQGIRSFSA-N 305.736 3.557 0 40 DHAB CCOc1ccc(O[C@H](C)c2nnc([C@H]3CCCCO3)o2)cc1 521393796 DZPSQJSRHSFCNA-IUODEOHRSA-N 318.373 3.850 0 40 DHAB O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)[C@@H]1CC=CCC1 521396235 ACONGWBHKICUPJ-CQSZACIVSA-N 318.442 3.875 0 40 DHAB COc1ccc(NC(=O)c2cc(C)nc(C3CC3)n2)cc1Cl 1888863730 CGQMJZGPESKNBJ-UHFFFAOYSA-N 317.776 3.577 0 40 DHAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 222033 FZGCRWCWZAPWNW-IAGOWNOFSA-N 324.359 3.572 0 40 DHAB Cc1nc2n(CC(=O)c3ccc(Cl)cc3)c3ccccc3n2n1 268657 FKQOOOBDVVJZJP-UHFFFAOYSA-N 324.771 3.529 0 40 DHAB CCOc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1 530997 GISWTJZNEYSOHD-UHFFFAOYSA-N 322.393 3.919 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)cc1 580028 CSTZNXJNQTVXNP-MRXNPFEDSA-N 303.789 3.814 0 40 DHAB O=C(Nc1c(Cl)cccc1Cl)[C@@H]1COc2ccccc2O1 2358349 URPDBNAKKXGUEG-ZDUSSCGKSA-N 324.163 3.772 0 40 DHAB Cc1ccc(OC[C@@H](O)CNC(C)(C)CC(C)(C)C)c(C)c1 2476188 SEPJUGHASWFWPQ-INIZCTEOSA-N 307.478 3.848 0 40 DHAB C[C@H]1CCCN(Cn2nc3sc4ccccc4n3c2=S)C1 3314792 QBYHBBXKGAHSMS-NSHDSACASA-N 318.471 3.769 0 40 DHAB OCCn1c(CSc2ccccc2)nc2ccc(Cl)cc21 3334656 BSJSRUPIEALOTO-UHFFFAOYSA-N 318.829 3.974 0 40 DHAB CCc1cccc(C)c1NC(=O)CN(C)Cc1cccc(F)c1 3415584 SJNWHWAKVAFGNY-UHFFFAOYSA-N 314.404 3.767 0 40 DHAB CC(=O)Nc1cccc(C(=O)OCc2ccc(Cl)cc2)c1 3461721 CHDMXFOMTOVOFX-UHFFFAOYSA-N 303.745 3.655 0 40 DHAB Cc1c(C(=O)OCC(=O)Nc2ccccc2)oc2ccccc12 3537300 WKLVJUDRWKRYCO-UHFFFAOYSA-N 309.321 3.537 0 40 DHAB CC(=O)OC[C@]12CO[C@H](c3cccnc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 3999237 LANFJOBBEPUSIU-MFVLPEOLSA-N 315.413 3.551 0 40 DHAB Cc1ccc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2)cc1 5546316 JTHZYSCEWYXKHQ-MRXNPFEDSA-N 304.349 3.540 0 40 DHAB Cc1nnc(CSc2ncnc3sc4c(c23)CCCC4)o1 6111797 BTDCQBQWMZFAHV-UHFFFAOYSA-N 318.427 3.554 0 40 DHAB Cc1cccc(CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 7004569 AEOLFYUEIQGKSV-IFXJQAMLSA-N 314.429 3.632 0 40 DHAB CCn1c(SC[C@@H]2CCCCO2)nnc1-c1cccs1 7062126 WEZQJFQTWBKGFX-NSHDSACASA-N 309.460 3.688 0 40 DHAB C[C@H](Sc1nnc2ccccn12)C(=O)c1ccc(Cl)cc1 7427624 SVLQZKIHVAOASF-JTQLQIEISA-N 317.801 3.746 0 40 DHAB CCC[C@@H](CC(=O)N[C@H]1CCCc2ccccc21)n1ccnc1 9467114 CNAKWJOKFULJSJ-WMZOPIPTSA-N 311.429 3.808 0 40 DHAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC(C)C 11614129 FYTAKJVDWVJVQK-UHFFFAOYSA-N 313.463 3.559 0 40 DHAB Cc1ccc(-c2cc(CNC(=O)c3ccc(F)cc3)no2)cc1 12235552 DKSWNSKTWUNTRY-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB CCOC(=O)CCSc1cc(C)nc2c(OC)cccc12 12557684 CGYGOZCDNIODCY-UHFFFAOYSA-N 305.399 3.597 0 40 DHAB CCc1ccc2[nH]c(=O)c(CNc3cccc(OC)c3)cc2c1 12566064 YAEYHMAWGIHVHP-UHFFFAOYSA-N 308.381 3.711 0 40 DHAB CCOc1ccccc1N[C@H](C)C(=O)Nc1cc(F)ccc1F 12606508 PJDQZKOBKHJXGQ-LLVKDONJSA-N 320.339 3.803 0 40 DHAB Cc1nc(CC(=O)NCc2ccco2)sc1-c1ccccc1 12985189 OZNVWSXOWGAHPW-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)cs1 14022003 QCAHZUOIQMMEAB-UHFFFAOYSA-N 313.382 3.921 0 40 DHAB COc1cccc(NC(=O)c2ccc(Br)cc2F)c1 14182184 NPBFRGSXRRDTLR-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)ccc2C)cc1 14219074 YGCJCISZQMRPIF-OAHLLOKOSA-N 317.454 3.905 0 40 DHAB CCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1 18135056 JJWIKSNDYLETNK-SFHVURJKSA-N 310.397 3.916 0 40 DHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C[C@@H](O)c1cccs1 19498295 XUVWJJQEZLOFGT-BLLLJJGKSA-N 312.438 3.882 0 40 DHAB CN(C)CCNCc1cccc(OCc2ccccc2Cl)c1 19691200 NPYXWOFYAZTRIR-UHFFFAOYSA-N 318.848 3.570 0 40 DHAB C[C@H]1CNc2ccccc2N(Cc2ccccc2Cl)C1=O 21793405 WRUYWUZCEXHLHL-LBPRGKRZSA-N 300.789 3.935 0 40 DHAB O=C(c1cccc2cccnc12)N1CCC[C@H](C(F)(F)F)C1 24183891 PSICVQPZGFMQCS-LBPRGKRZSA-N 308.303 3.649 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2ccc[nH]2)cs1 29351672 WCZDSEWOCNUWSO-UHFFFAOYSA-N 322.393 3.801 0 40 DHAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccccc1 31456107 WFQGUQNMQKNSQN-UHFFFAOYSA-N 304.349 3.913 0 40 DHAB Cc1ccc(CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 33806911 MMIASOFLAAAYIE-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB CCOc1ncccc1CNC(=O)Nc1cc(Cl)ccc1C 40099229 WKLMQNJJZBCYDH-UHFFFAOYSA-N 319.792 3.764 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 40540587 SDVUOHQGPNXSPI-UHFFFAOYSA-N 305.378 3.663 0 40 DHAB CC(C)Cc1noc([C@@H]2CCCCN2C(=O)C2CCCC2)n1 41123424 GRAGLFWRPXWQTP-AWEZNQCLSA-N 305.422 3.512 0 40 DHAB Cc1cc2cc(NC(=O)c3cnc4onc(C)c4c3)ccc2[nH]1 46374262 VKGKNHJULPBWLT-UHFFFAOYSA-N 306.325 3.573 0 40 DHAB Cc1cccc(-n2ccnc2SCc2cccc(C(N)=O)c2)c1 47438793 KXTQLMHNFDJKBF-UHFFFAOYSA-N 323.421 3.572 0 40 DHAB Cc1nnc([C@H](C)Sc2nc3ccccc3n2C(F)F)o1 48188798 GSIISEZKKVJFPC-ZETCQYMHSA-N 310.329 3.976 0 40 DHAB CCCc1nc(CSc2nnc(-c3cccnc3)o2)cs1 48312161 XQJJLXKGDHDCON-UHFFFAOYSA-N 318.427 3.833 0 40 DHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccco2)c1 49890973 FLZJYHMFEFXFSW-CQSZACIVSA-N 301.386 3.795 0 40 DHAB COc1cc(N)cc2sc(Nc3nc4ccccc4o3)nc12 57352541 ILVCBQWQSNYIKS-UHFFFAOYSA-N 312.354 3.772 0 40 DHAB CCCN(CCC)C(=O)CN1CCc2sccc2[C@H]1CC 57625637 QCKIDDWCVFPHNR-OAHLLOKOSA-N 308.491 3.706 0 40 DHAB C[C@@H]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 68820971 WOLCOVWIJWVKMS-CYBMUJFWSA-N 315.442 3.797 0 40 DHAB COc1cccc(-c2nc(CSc3cnccn3)cs2)c1 76042560 CLYRGWLZEWSGFV-UHFFFAOYSA-N 315.423 3.901 0 40 DHAB C[C@H](NCCc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 95419225 OHRUTGSIIFNKHU-AWEZNQCLSA-N 308.425 3.810 0 40 DHAB C[C@H](CCO)C1(CNC(=O)c2csc3ccccc23)CCC1 95463255 UAFVTPNZAPHISI-CYBMUJFWSA-N 317.454 3.820 0 40 DHAB CC(C)N(CCc1nccs1)c1cc(Cl)nc(C2CC2)n1 95945005 MMOXFHFAKYSKTN-UHFFFAOYSA-N 322.865 3.921 0 40 DHAB C[C@H]1CCO[C@H]1C(=O)N1CCCSc2ccc(Cl)cc21 95971638 FSGXRBVGOHVBSD-IINYFYTJSA-N 311.834 3.594 0 40 DHAB CO[C@](C)(CNC(=O)Cc1ccsc1)c1cccc(Cl)c1 96392730 HCJICVDBAMVIAF-MRXNPFEDSA-N 323.845 3.622 0 40 DHAB C[C@]12CC3CC(C(=O)NCCN4CCCCC4)(C1)C[C@](C)(C3)C2 100799508 FDCYMUCMJNOQSZ-CGIJZDBUSA-N 318.505 3.585 0 40 DHAB COCCCNCc1cccn1-c1cccc(C(F)(F)F)c1 113704063 NVWNQASZWXTIET-UHFFFAOYSA-N 312.335 3.622 0 40 DHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113950707 TWZNQAAHFWEOAF-CZPYZCIJSA-N 307.821 3.802 0 40 DHAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccco1 187087133 DTESCOFXJBIZAU-ABAIWWIYSA-N 305.761 3.535 0 40 DHAB O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)N1CCCC1 225147852 WKQOLZQUOAJUQW-SFHVURJKSA-N 311.381 3.570 0 40 DHAB O=S(=O)(NC1CCCCC1)c1ccc2c3c(cccc13)CC2 226862367 GCELBHKDQURDBC-UHFFFAOYSA-N 315.438 3.549 0 40 DHAB FC(F)(F)[C@@H]1CCC[C@H](N[C@H]2CCO[C@@]3(CCSC3)C2)C1 249276163 MBRAPPMKHXNEQR-RFGFWPKPSA-N 323.424 3.752 0 40 DHAB C[C@H](NC(=O)N1CC[C@H](C2CCCC2)C1)c1cccc(O)c1 333786475 VLPOENQXPDSAEB-BBRMVZONSA-N 302.418 3.675 0 40 DHAB Clc1ccc2ncc(-c3cccc([C@@H]4CCCNC4)n3)n2c1 585262907 DDUBMHGIDJINBH-GFCCVEGCSA-N 312.804 3.517 0 40 DHAB CC[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O 76958 RIESFNLXSIWHHP-CQSZACIVSA-N 307.353 3.572 0 40 DHAB C[C@H](CN1CCCC1)[C@](O)(Cc1ccccc1)c1ccccc1 1726854 HAHXIOSXBVTRRT-WIYYLYMNSA-N 309.453 3.849 0 40 DHAB COc1ccc([C@@H](CC(=O)c2ccccc2)SCCO)cc1 1793588 LYYZUIUOVASCPA-GOSISDBHSA-N 316.422 3.735 0 40 DHAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccco5)nc4c23)C1 2223652 MJECKCJCSOBWCR-VIFPVBQESA-N 310.382 3.724 0 40 DHAB O=C(Nc1nnc(-c2ccccc2)o1)Nc1ccc(F)cc1F 2663430 NIEKNKQCMWGFLA-UHFFFAOYSA-N 316.267 3.659 0 40 DHAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(Cl)cc1 3071136 YAHGMDZGPSKPIW-LBPRGKRZSA-N 303.855 3.835 0 40 DHAB CN(C(=O)COC(=O)c1cccc2ccccc12)c1ccccc1 3217603 VNNRLKKHIXTFOW-UHFFFAOYSA-N 319.360 3.660 0 40 DHAB O=C(COC(=O)c1ccccc1)Nc1cccc2ccccc12 3398666 VFLSGNWMKXGSBK-UHFFFAOYSA-N 305.333 3.635 0 40 DHAB CCOc1ccccc1NC(=O)CSc1nc(C)cs1 3413873 GYGSDGHZBVSUQR-UHFFFAOYSA-N 308.428 3.581 0 40 DHAB CCCCc1ccc(NC(=O)N[C@H](C(=O)O)[C@@H](C)CC)cc1 4301507 UGTCQNZJDLMHSO-WFASDCNBSA-N 306.406 3.650 0 40 DHAB CC(C)(C)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 4433437 VQRZKFMEKJDJOT-UHFFFAOYSA-N 321.808 3.627 0 40 DHAB CCOc1ccc(NCc2cc3ccc(C)cc3[nH]c2=O)cc1 5054460 ZYBRULJMMSGMPD-UHFFFAOYSA-N 308.381 3.847 0 40 DHAB Cc1c(C)n(-c2cccnc2)c2ncnc(Nc3ccccn3)c12 5345625 FDRCCDYNRILHFW-UHFFFAOYSA-N 316.368 3.571 0 40 DHAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccccc3)no2)c1 5576571 FRSVNMJZRHAWLD-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB CCCOP(=O)(OCCC)[C@H](O)C(Cl)(Cl)Cl 5785232 PLRCDCWUOQDVNO-ZETCQYMHSA-N 313.545 3.721 0 40 DHAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1 6426572 UVIKGWNOYPUGKU-UHFFFAOYSA-N 315.800 3.928 0 40 DHAB COc1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 7504900 HCHOLQORHOKCNF-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB COc1cccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 7584004 GMQXELOEKBQMCW-NSHDSACASA-N 304.390 3.882 0 40 DHAB COCCNCc1ccccc1OCc1ccc(Cl)cc1 8469247 PWVCVERSTMREOE-UHFFFAOYSA-N 305.805 3.655 0 40 DHAB O=C(Nc1nc(-c2cccc(Br)c2)cs1)C1CC1 8718274 TWFXVEINELRKNH-UHFFFAOYSA-N 323.215 3.921 0 40 DHAB Cc1cc(C)cc(NC(=O)CSc2nccn2C2CC2)c1 11891497 QEJZSECJRWSIEY-UHFFFAOYSA-N 301.415 3.566 0 40 DHAB COc1cccc(C(=O)Nc2nc(-c3cccs3)ns2)c1 11914417 RYPPXEYXJHASLE-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB C[C@H](O)c1cccc(NC(=O)CSCc2ccc(F)cc2)c1 12824544 IBQBRIPJILMYAB-LBPRGKRZSA-N 319.401 3.751 0 40 DHAB O=C(COc1cccc(Cl)c1)N[C@@H]1CCc2ccccc21 12886981 BOKPZRAKLGTYIY-MRXNPFEDSA-N 301.773 3.523 0 40 DHAB C[C@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccc(Cl)cc1 12938905 NAHUOMXFOGTLLB-SWLSCSKDSA-N 315.800 3.769 0 40 DHAB COc1cc2[nH]c(=S)nc(NCCC(C)C)c2cc1OC 13660104 YALOTVIHYAFCNM-UHFFFAOYSA-N 307.419 3.768 0 40 DHAB O=C(COc1ccc(Cl)c2ccccc12)Nc1cccnc1 15096987 JLFJIURUBWSESP-UHFFFAOYSA-N 312.756 3.906 0 40 DHAB COc1ccccc1N[C@H](SCC(=O)O)c1ccccc1 16758463 DTYJMISKGZBSIG-MRXNPFEDSA-N 303.383 3.624 0 40 DHAB Cc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(C)s1 21689611 JKEOPFDZXULADC-UHFFFAOYSA-N 314.410 3.966 0 40 DHAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(C)c(C)s1 24742183 XFESKULTLUAZPW-UHFFFAOYSA-N 315.320 3.734 0 40 DHAB COc1cccc2cc([C@H](C)NC(=O)CCc3cccnc3)oc12 25140623 VSIWKNZVYXECFQ-ZDUSSCGKSA-N 324.380 3.646 0 40 DHAB CON(C)C(=O)CCN1c2ccccc2Sc2ccccc21 27069733 HTDWANGNIRPFGO-UHFFFAOYSA-N 314.410 3.699 0 40 DHAB CCCC[C@H](CC)CNC(=O)c1cc(C)nc2c1c(C)nn2C 29431510 TTZVWYYYHIFOBR-AWEZNQCLSA-N 316.449 3.531 0 40 DHAB CCCCNC(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C 29723195 UNJWBKYSOVMDGE-AWEZNQCLSA-N 314.433 3.649 0 40 DHAB CC(C)c1noc(CCC(=O)Nc2ccc(F)cc2Cl)n1 33147517 ZQQYXSJAGMTZPI-UHFFFAOYSA-N 311.744 3.557 0 40 DHAB CC(=O)Oc1cccc(C(=O)c2ccccc2Br)c1 43209854 WEJIBCDQSQAPQC-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 46798473 FLISHRVXIYGNGD-INIZCTEOSA-N 318.804 3.851 0 40 DHAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(F)c1 56340453 QHSRDTJACZPLGE-UHFFFAOYSA-N 314.360 3.560 0 40 DHAB Cc1nc(C(=O)Oc2ccc(C)c3c2C(=O)C[C@@H]3C)cs1 58018335 BTKQLKDAAIBGKW-VIFPVBQESA-N 301.367 3.669 0 40 DHAB Cc1c([C@@H](C)NCc2cccnc2)cnn1-c1ccc(F)cc1 67504637 TWXRHQPVISYILP-CYBMUJFWSA-N 310.376 3.566 0 40 DHAB C[C@H]1CCN(C(=O)Cc2n[nH]c3ccccc23)[C@H](c2ccco2)C1 75386846 SAUUZCWZTHFDQB-GUYCJALGSA-N 323.396 3.698 0 40 DHAB Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc(F)cc2)c(C)c1 75772036 DWARNBDEIYEZLP-UHFFFAOYSA-N 310.328 3.993 0 40 DHAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccnc2ccccc12 89930443 DGYVGRUQCPNQAI-QGZVFWFLSA-N 321.405 3.994 0 40 DHAB CC[C@@H](NC(=O)c1ccccc1SC(F)F)[C@@H]1CCCO1 89942881 OLPWFWUIMHWBPH-NEPJUHHUSA-N 315.385 3.689 0 40 DHAB COc1ccccc1-c1noc(-c2ccnc(OC3CCC3)c2)n1 93888418 DIMWACPFCUVAND-UHFFFAOYSA-N 323.352 3.739 0 40 DHAB Cc1ccoc1C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95418216 VKEGPLRWUMRVPO-HUUCEWRRSA-N 317.385 3.690 0 40 DHAB c1ccc(CCN2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)cc1 96046052 NKUYKADTKZPLDH-GVDBMIGSSA-N 314.454 3.538 0 40 DHAB O=C(Nc1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 96435669 QZBSPZFKSFQFTH-ZWKOTPCHSA-N 310.397 3.807 0 40 DHAB C[C@H]1C[C@H](C)n2nccc2N1C(=O)c1cccc(F)c1Cl 96443097 RFXFPEJNZPIYAK-UWVGGRQHSA-N 307.756 3.676 0 40 DHAB Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccncc1F)CCC2 97135692 FFPZVCHYXYUWDL-ZDUSSCGKSA-N 320.393 3.527 0 40 DHAB Fc1ccc(Cl)cc1CNc1nnc(-c2ccncc2)o1 97142114 SIZGBXZAEVGHCM-UHFFFAOYSA-N 304.712 3.536 0 40 DHAB O=c1[nH]c2c(s1)[C@@H](c1ccco1)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 102001011 PGOHYRVPWXTGJJ-PPJKGSGRSA-N 305.424 3.682 0 40 DHAB Cc1ccc(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1 171446920 MEBPHHLHWIYKIG-UHFFFAOYSA-N 309.369 3.914 0 40 DHAB CCNC(=O)c1ccc(Nc2cccc(Cl)c2C)c(N)c1 212690275 NSBBROLEPHXYOV-UHFFFAOYSA-N 303.793 3.724 0 40 DHAB CCOc1ccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225107900 QQDPPQGTIYRTPS-GOSISDBHSA-N 314.381 3.777 0 40 DHAB CCc1cc(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)[nH]n1 225791286 HXZSMZGNIFHJNL-LBPRGKRZSA-N 313.401 3.553 0 40 DHAB Cc1ccnc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225873520 IRAHYKPMKQLJON-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c(C)n1 225900298 ZBSBKBCTQSHWHH-UGSOOPFHSA-N 320.433 3.713 0 40 DHAB Cc1nnc(NC(=O)CSc2cccc3ccccc23)s1 408542291 IFFZWKAQKMARGX-UHFFFAOYSA-N 315.423 3.731 0 40 DHAB Brc1cc(I)c2occc2c1 1503351721 UEHBZOMLTKPZIN-UHFFFAOYSA-N 322.927 3.800 0 40 DHAB CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 96479 ACTAZHXDFCXOKE-UHFFFAOYSA-N 311.366 3.507 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)c(OC)c1 147250 ZVOYDDILGHBWCS-JXMROGBWSA-N 311.381 3.973 0 40 DHAB Cc1ccc(-c2nnc3sc(-c4ccccc4F)nn23)cc1 384984 QFPXLOOFWKPCFT-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)cc1)CO2 1391491 MEVJUCDTNDQOBP-UHFFFAOYSA-N 315.756 3.763 0 40 DHAB O=C(Oc1ccc(/C=C/[n+]2ccccc2)cc1)c1ccccc1 1609527 RTJBWOBVMDMWBC-DTQAZKPQSA-N 302.353 3.821 0 40 DHAB CCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 2275485 TVLZIXOWGIIIOY-UHFFFAOYSA-N 305.399 3.585 0 40 DHAB CCN(C(=O)CSc1ncccn1)c1cccc2ccccc12 3263632 FORZQBORIVEUGZ-UHFFFAOYSA-N 323.421 3.775 0 40 DHAB COc1ccc(C(C)=O)cc1COc1c(C)cc(C=O)cc1C 3352491 FNZYSCGGGKVCEE-UHFFFAOYSA-N 312.365 3.906 0 40 DHAB CSCc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 3407227 HBQXZFFMBLHZJW-UHFFFAOYSA-N 314.410 3.760 0 40 DHAB Cc1c(C(=O)OCC(=O)N(C)c2ccccc2)oc2ccccc12 3537268 PJRCJOWWNDQNQG-UHFFFAOYSA-N 323.348 3.561 0 40 DHAB COc1ccccc1CNC(=O)Cc1cccc(C(F)(F)F)c1 3614979 UFHWZKGYHQLEBN-UHFFFAOYSA-N 323.314 3.573 0 40 DHAB O=C1NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1 4891152 ADTDORFIXBSLNK-UHFFFAOYSA-N 311.212 3.963 0 40 DHAB O=C1c2ccccc2[C@@]2(c3ccccc3)C=NN[C@]12c1ccccc1 5052005 CNUBOASBXXWUIX-FCHUYYIVSA-N 324.383 3.654 0 40 DHAB C[C@H]1C[C@@H](C)CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 5186281 KXPRFOGIFRLJDK-OKILXGFUSA-N 311.425 3.760 0 40 DHAB biogenic CCCCS(=O)(=O)Nc1cc(-c2ccccc2)ccc1O 5259974 YHPULENTLIIYDI-UHFFFAOYSA-N 305.399 3.601 0 40 DHAB O=C(CSC1=NCCS1)Nc1ccc(Cl)c(Cl)c1 6240664 ZWXHZEWBGPVKME-UHFFFAOYSA-N 321.254 3.768 0 40 DHAB O=C1CCCC[C@H]1Sc1nc(C2CC2)n(-c2ccccc2)n1 6549804 BWDJJZAZCLNJBW-OAHLLOKOSA-N 313.426 3.749 0 40 DHAB COc1ccc(CCC(=O)Nc2ccccc2N2CCCC2)cc1 7107146 WKHXWTKIGUFGHW-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)sc1C 7762830 DZDDCEIGJQIFLA-UHFFFAOYSA-N 318.394 3.933 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 7882136 KFHMEAUNMXFCRG-RDJZCZTQSA-N 322.408 3.543 0 40 DHAB Cn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc21 8808381 LCKQYRCJUJJKKM-UHFFFAOYSA-N 322.393 3.916 0 40 DHAB COc1ccc(C)cc1NC(=O)CN(C)[C@@H](C)c1ccccc1 9387750 VXGVWCWVJNWLHN-HNNXBMFYSA-N 312.413 3.635 0 40 DHAB C[C@@H](NC(=O)Cc1cccs1)c1ccccc1Br 9484263 WLWCZLOBMJUEPO-SNVBAGLBSA-N 324.243 3.931 0 40 DHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 9919089 ICWXKNNZZQLSEH-CQSZACIVSA-N 312.413 3.561 0 40 DHAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(C(=O)O)cc1 13166516 JOUGPSQJSJTRPT-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(Cl)nn1 15021725 YUGWLPWVAXTKRX-AWEZNQCLSA-N 317.776 3.604 0 40 DHAB COc1cccc(C(=O)N2CCc3cc4cccc(C)c4nc32)c1 15842014 JKQZGZJQACWDHJ-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc2c1CCCC2 16130702 KBMAJNGNZMRTDS-BUHFOSPRSA-N 313.422 3.978 0 40 DHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 18114941 ZCMJMAUCIIWFBR-UHFFFAOYSA-N 315.344 3.574 0 40 DHAB CCc1ccc(CN2CCN([C@H]3CCCC[C@@H]3C)CC2)cc1 19359628 IOSGVSNXYJVSHE-PXNSSMCTSA-N 300.490 3.945 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1C 20025580 QTOIKXOBTTWURZ-AWEZNQCLSA-N 313.397 3.893 0 40 DHAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(F)cc1 20138179 OBZJUBJXMZFRQX-UHFFFAOYSA-N 311.312 3.830 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 20485616 MIMTZFYZZJANBE-UONOGXRCSA-N 301.361 3.779 0 40 DHAB CCc1n[nH]c(SCc2ccc(NC(=O)CC(C)C)cc2)n1 20611418 RPYYLXSDYWSDFQ-UHFFFAOYSA-N 318.446 3.644 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)Nc1cnc2ccccc2c1 21136301 KAFYHWKVKSYIIB-UHFFFAOYSA-N 318.376 3.741 0 40 DHAB COCCCNC(=O)c1ccccc1Nc1cccc(C)c1C 21896257 HLDUEBBHCWFBSA-UHFFFAOYSA-N 312.413 3.813 0 40 DHAB CC[C@@H]1CCc2sc(C(=O)Nc3ncccc3O)cc2C1 21901721 HEUKFHQICAKYLA-SNVBAGLBSA-N 302.399 3.616 0 40 DHAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@@H](C)C(C)C)c(C)c12 22977354 KNAZQGLFXWBIRS-JTQLQIEISA-N 317.458 3.960 0 40 DHAB CCCc1ccccc1NC(=O)c1ccc(CCNC(C)=O)cc1 24503872 ZJSHSXBAZFLGJU-UHFFFAOYSA-N 324.424 3.570 0 40 DHAB c1ccc2oc([C@@H]3CCCN(CCc4ccncc4)C3)nc2c1 29824831 VLDDXDKGTNRGOK-MRXNPFEDSA-N 307.397 3.645 0 40 DHAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Cl)cn1 32759337 AEBMEZMVUVGYNE-LBPRGKRZSA-N 315.804 3.515 0 40 DHAB Cc1ccc(-c2nc(C(=O)Nc3nc4ccccc4[nH]3)cs2)o1 32922693 GRIYUQQWNXOOBH-UHFFFAOYSA-N 324.365 3.840 0 40 DHAB Nc1c(N)c(Br)c2ccccc2c1Br 34743973 NRCXHDSPXUZKBE-UHFFFAOYSA-N 315.996 3.529 0 40 DHAB COc1ccc(F)cc1C(=O)c1cccc(Br)c1 36944195 ZOVWNKFPJDHOIN-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB C[C@H](CCc1ccco1)NC(=O)NCCCc1ccccc1 40067905 LWYGADAZUXTODX-OAHLLOKOSA-N 300.402 3.533 0 40 DHAB Cn1ncc(C(=O)Nc2cccc3ccccc23)c1-n1cccc1 44903101 YZFFOWJGGDJGGY-UHFFFAOYSA-N 316.364 3.616 0 40 DHAB CCCc1nc(CSc2nnc(CSC)o2)cs1 45002898 ZWHADISJWGGFBS-UHFFFAOYSA-N 301.462 3.634 0 40 DHAB COC(=O)c1oc(CN2CCC[C@H]2c2ccsc2)cc1C 46089418 DATIQHJEEMJPII-AWEZNQCLSA-N 305.399 3.773 0 40 DHAB CCOC(=O)c1ccc(N[C@@H](C)c2cc(F)ccc2OC)nc1 48368799 IWNVBFWBHNKLLB-NSHDSACASA-N 318.348 3.579 0 40 DHAB CCOc1ccccc1NC(=O)c1cc2cc(OC)ccc2n1C 48512700 VLABRUORDLIJEZ-UHFFFAOYSA-N 324.380 3.838 0 40 DHAB CCSc1cc(C(=O)N(Cc2ccccn2)C(C)C)ccn1 56097855 CMPBSPCJNWACQU-UHFFFAOYSA-N 315.442 3.639 0 40 DHAB CC(C)(C)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 60504236 JDHHREAZOOCAHC-UHFFFAOYSA-N 323.436 3.948 0 40 DHAB Cc1nn(C)c2sc(C(=O)Nc3ccc4ncccc4c3)cc12 65512941 ZFGQVLOOOVKXQT-UHFFFAOYSA-N 322.393 3.744 0 40 DHAB COCc1ccccc1NC(=O)N[C@H]1CCc2ccccc2C1 69388017 JDZJMVFTBHFPKO-KRWDZBQOSA-N 310.397 3.512 0 40 DHAB COc1ccc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)c(OC)c1 71800820 VXYWIWXKSNETFY-CQSZACIVSA-N 313.397 3.845 0 40 DHAB Cc1nc(N2CCN(C(C)C)CC2)ccc1SC(C)(C)C 72224764 VAWHZMWTGDNIBT-UHFFFAOYSA-N 307.507 3.811 0 40 DHAB CC(C)n1c([C@@H]2CCCN(C(=O)C3CC3)C2)nc2ccccc21 72283717 MPSIEFXIMNKGLC-OAHLLOKOSA-N 311.429 3.733 0 40 DHAB CS[C@H]1CCC[C@@H](NC(=O)CNc2ccccc2Cl)C1 76016962 WBUDKMAMECZSHU-NEPJUHHUSA-N 312.866 3.542 0 40 DHAB C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccncc1 76648950 MXYQHSQIZDHNTM-AWEZNQCLSA-N 316.832 3.757 0 40 DHAB O=C(NCc1ccncc1)[C@H]1C[C@H]1c1cccc2ccccc12 89873209 BSDZZDIITXMLDZ-OALUTQOASA-N 302.377 3.655 0 40 DHAB Cc1nc(CSc2nc(O)c3ccccc3n2)sc1C 95410300 AYTCTDMLRNQHAF-UHFFFAOYSA-N 303.412 3.701 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)Nc2cc3c(cc2C)OCO3)o1 96004910 CKWHJDHZSGPYDG-LLVKDONJSA-N 302.330 3.508 0 40 DHAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 97372410 LZYILCQQIVOTQQ-DYZYQPBXSA-N 315.392 3.537 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@@H]3C[C@]13CC[C@@H]2C[C@@H]1CCCC[C@]13O4 100151206 NYWUQKFITQFOEY-WHZXTZRYSA-N 304.430 3.741 0 40 DHAB COC(=O)[C@@H]1C[C@@H]2C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104132695 RMGMMNIDJJIAOL-ZPLJKJSBSA-N 324.418 3.650 0 40 DHAB Cc1ccccc1N(Cc1ccccc1Cl)S(C)(=O)=O 107895445 CIUMGTUHDAYNQS-UHFFFAOYSA-N 309.818 3.615 0 40 DHAB Cc1oncc1-c1csc(-c2ccc(N3CCCC3)nc2)n1 194941904 MBWIBVOAQGPUOP-UHFFFAOYSA-N 312.398 3.769 0 40 DHAB COc1ccc([C@H](C)NC(=O)CCc2ccc(F)cc2)cc1 223020760 HDIIQDORNSATGL-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 223970159 JZHSFXSHQWLVQQ-LLVKDONJSA-N 321.779 3.908 0 40 DHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccccc1 224153721 ARZMFJYOTVDJAS-SJORKVTESA-N 320.421 3.587 0 40 DHAB CCCc1ccc(OCCNC(=O)Cc2ccc(C)cc2)cc1 224391228 UALIWZBBOMTTCY-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB Cc1cc(C)cc(Nc2ccc(C(=O)N3CCCC3)cc2N)c1 225419829 MGNNRRXXLYHHPN-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB CCOc1ccccc1NC(=S)NCc1cccc(F)c1 225836568 SVGYKPGUWUGQOV-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB O=C(CSc1nc2ccccc2s1)N[C@@H]1C[C@H]2CC[C@H]1C2 408545860 ATNDVWLGAWZWJK-GMXVVIOVSA-N 318.467 3.693 0 40 DHAB CCN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 409064928 JGGUUVHFFHRQGU-GXDHUFHOSA-N 316.357 3.673 0 40 DHAB CCc1ccc([C@H](NCc2nc(C3CC3)nn2C)C(C)C)cc1 572515102 LYPXEGBITJMJGJ-GOSISDBHSA-N 312.461 3.742 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1cc(C(F)(F)F)ccc1Cl 575360983 XVAWYDWZCFMSFA-UHFFFAOYSA-N 308.683 3.883 0 40 DHAB Cn1cc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@H]32)cn1 575410722 CHFCTMPBKHIQNO-RCBQFDQVSA-N 303.793 3.708 0 40 DHAB CCN1CCC[C@H](CNC2CC(c3cc(F)cc(F)c3)C2)C1 581455349 FSYAUFHJBSKBLC-MJJDPTRDSA-N 308.416 3.532 0 40 DHAB Cc1c(C(=O)Nc2cc(F)cc(F)c2)cnn1-c1ccccc1 385345 JZYSTFXSYMBXHB-UHFFFAOYSA-N 313.307 3.711 0 40 DHAB CCN(C(=O)c1c(C)cc(Cl)nc1OC)c1ccccc1 1446063 NKDDGTNBPFFVHO-UHFFFAOYSA-N 304.777 3.719 0 40 DHAB CCOC(=O)CC(C(=O)O)=C(c1ccccc1)c1ccccc1 1674596 ZESSIJOQUZYQAV-UHFFFAOYSA-N 310.349 3.526 0 40 DHAB O=C(O)[C@H]1O[C@]1(c1cccc(Cl)c1)c1ccccc1Cl 1700873 ZLEYYNBRZZXPFX-UKRRQHHQSA-N 309.148 3.720 0 40 DHAB C/C=C/c1ccc(OCCOCCNC2CCCC2)c(OC)c1 2191199 DGIJXXIRCQKQTN-ZZXKWVIFSA-N 319.445 3.656 0 40 DHAB O=c1c2[nH]c3ccccc3c2ncn1Cc1ccccc1Cl 2334382 VTHNYVMKFHDUIR-UHFFFAOYSA-N 309.756 3.580 0 40 DHAB CCOC(=O)/C=C/CSc1ncnc2c1oc1ccccc12 2432424 JKJPQBJDVKSZQG-VMPITWQZSA-N 314.366 3.587 0 40 DHAB C1=C(N2CCCC2)c2cccc3cccc(c23)C1=[N+]1CCCC1 2557544 KJRLPFBRBKFXBF-UHFFFAOYSA-N 303.429 3.886 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccccn3)cs2)o1 3399640 FZPSXNADYYSMDT-BQYQJAHWSA-N 311.366 3.758 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C=O)c1Cc1cccc(Cl)c1 3416115 QDPYBCKZIWKMTO-UHFFFAOYSA-N 305.761 3.557 0 40 DHAB Cn1ncc2c(Nc3ccc(-c4ccccc4)cc3)ncnc21 4093331 YSRVELYBIYJWRF-UHFFFAOYSA-N 301.353 3.774 0 40 DHAB CCCCCC(=O)OCCCOCCCOc1ccccc1 4410512 ZPFCAOBJBWAELV-UHFFFAOYSA-N 308.418 3.986 0 40 DHAB CCOc1ccc2c(c1)sc1ncc(-c3ccccc3)c(=O)n12 4975147 NHVSKUSLFZYYPA-UHFFFAOYSA-N 322.389 3.975 0 40 DHAB Cc1ccc2cccc(OCC(=O)N(C)c3ccccc3)c2n1 6865710 JCQSXWAERKCLAK-UHFFFAOYSA-N 306.365 3.585 0 40 DHAB O=C(Nc1onc2c1CCC2)C(c1ccccc1)c1ccccc1 8976417 DXYNYWFCTCUVBR-UHFFFAOYSA-N 318.376 3.934 0 40 DHAB Sc1nnc(Cc2cccs2)n1-c1cccc2ncccc12 8993347 BYKCGRQOYBCEIU-UHFFFAOYSA-N 324.434 3.757 0 40 DHAB CN(C)[C@H](CNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 10329607 SWMWGOHOJPAEKC-MRXNPFEDSA-N 320.795 3.512 0 40 DHAB O=C(Nc1cccc2cccnc12)c1cc(-c2ccccc2)[nH]n1 10425798 MFJNNEAPHVCOCV-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB CCCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 11914190 XLBXBHJBEZNFIV-UHFFFAOYSA-N 300.358 3.595 0 40 DHAB CC(=O)c1c(C)[nH]c(-c2csc(NC[C@H]3CCCO3)n2)c1C 12601644 YGFLEHLCYNSULG-GFCCVEGCSA-N 319.430 3.549 0 40 DHAB COc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1OC 13534184 ZTGJVEWQUBETBR-UHFFFAOYSA-N 309.409 3.993 0 40 DHAB CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 14050227 BDBWKUYQIRJTBX-UHFFFAOYSA-N 303.793 3.602 0 40 DHAB Cc1cccc2nc(C(=O)Nc3cccc4c3CCCC4)cn12 15302628 PDMPCSDPDMXUQP-UHFFFAOYSA-N 305.381 3.774 0 40 DHAB O=C(CSCc1ccccc1F)Nc1ccc(F)c(F)c1 23410861 ZRFCUVBBIIWMAU-UHFFFAOYSA-N 311.328 3.976 0 40 DHAB Cc1ccn(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)n1 28241970 HXTKWCPTYQEYIW-RTBURBONSA-N 317.392 3.923 0 40 DHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)NCc3ccco3)c2C1 29899195 QFZHFXSTXSSCBH-CYBMUJFWSA-N 320.392 3.883 0 40 DHAB CN(C)c1ccccc1NC(=O)c1ccccc1OC(F)F 30573891 OWWLCSPXGXAGIW-UHFFFAOYSA-N 306.312 3.606 0 40 DHAB Cc1ncsc1CCOC(=O)C(C)(C)Oc1ccc(F)cc1 32675815 DVGYWSLJCPWFDN-UHFFFAOYSA-N 323.389 3.534 0 40 DHAB CC(C)(C)OC(=O)N1CCC(Cn2cnc3ccccc32)CC1 36657670 JCQFJSDMYSFYCH-UHFFFAOYSA-N 315.417 3.683 0 40 DHAB Cc1nc(C)c2c(C)c(C(=O)N[C@@H](C)c3ccco3)sc2n1 39549315 IYYJQTFSKADHKU-VIFPVBQESA-N 315.398 3.701 0 40 DHAB O=C(Nc1nnc(-c2ccccc2)s1)C(Cl)(Cl)Cl 39745493 RTGNWLOJGOMWBK-UHFFFAOYSA-N 322.604 3.514 0 40 DHAB c1ccc(CN(Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 40051437 INRLZHUSWABUKT-UHFFFAOYSA-N 305.381 3.901 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1 41306751 KJJACBWBJGJZKM-UHFFFAOYSA-N 308.337 3.952 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(Br)cc2)cc1F 48817169 ZSROYUQNVSDCOU-UHFFFAOYSA-N 322.177 3.827 0 40 DHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1nccs1 54105169 FZYVSEKTHNBLJR-UHFFFAOYSA-N 323.443 3.750 0 40 DHAB Cc1ccc(-c2cc(-c3nc(-c4ccccn4)no3)[nH]n2)cc1C 57510965 ZBTCPTRJYWUHIV-UHFFFAOYSA-N 317.352 3.806 0 40 DHAB CCOc1ccc(NC(=S)NCCCOC2CCCC2)cc1 57815649 CKHOHICPJGGCSQ-UHFFFAOYSA-N 322.474 3.721 0 40 DHAB Cc1ccc(C)n1C1CCN(C(=O)c2cc(F)ccc2F)CC1 58141252 YALCNNGEYZOPTF-UHFFFAOYSA-N 318.367 3.860 0 40 DHAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 59227308 DQLWIBXWEJENDK-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB C[C@H]1CCN(C(=O)CN(C)c2ccccc2)[C@H]2CCCC[C@H]12 59371421 ZZYOEGPAVVOFKS-JQHSSLGASA-N 300.446 3.550 0 40 DHAB Cn1cccc1CN(C(=O)Nc1ccccc1Cl)C1CC1 62018343 HPZZOYIKVLZIQN-UHFFFAOYSA-N 303.793 3.875 0 40 DHAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1Cl 69620085 OPEZGMCXKJDKSJ-ZFWWWQNUSA-N 319.763 3.774 0 40 DHAB Cc1noc(C)c1NC(=O)c1cccc(Oc2ccncc2)c1 71903035 WGWQVQJAIQBHRS-UHFFFAOYSA-N 309.325 3.731 0 40 DHAB CC(C)Nc1cccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1 71910832 CRCQAFGLDJASPZ-UHFFFAOYSA-N 321.384 3.544 0 40 DHAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1C 72228944 CMYHZELXPDCEEW-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB Cc1nc(C)c(C(=O)N2CC[C@H](C)Sc3ccccc32)o1 84061279 ACPZGCXTVRBEJP-JTQLQIEISA-N 302.399 3.823 0 40 DHAB Nc1c(Cl)cc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1Cl 84422134 SZFIJRCVESPJND-QWRGUYRKSA-N 322.195 3.713 0 40 DHAB O=C(c1ccccc1-c1cncnc1)N1CCC2(CCCCC2)C1 89821270 KQDZVQUOWRGLFS-UHFFFAOYSA-N 321.424 3.940 0 40 DHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccncc1Cl 91455290 DZVZXRXBMATZNB-QMMMGPOBSA-N 306.715 3.538 0 40 DHAB C[C@H](NCCCc1ccccc1)c1ccc([S@](C)=O)cc1 95419171 FWNXXRRWMUETGI-YCRPNKLZSA-N 301.455 3.707 0 40 DHAB C[C@@H](NC1CCN(C(=O)C2CCCCC2)CC1)c1ccsc1 95420259 WMSWDAJLFIDGHE-CQSZACIVSA-N 320.502 3.970 0 40 DHAB O=C(CCCCCNc1ncccn1)Nc1ccc2cc[nH]c2c1 95473372 FFSBGSQDMFUTMG-UHFFFAOYSA-N 323.400 3.569 0 40 DHAB Nc1nc(Cl)cc(N[C@H]2CCSc3c(F)cccc32)n1 95948524 GZHFROZNJHCRPC-VIFPVBQESA-N 310.785 3.500 0 40 DHAB COC(=O)c1ccc(NCc2cccc(C)c2OC(F)F)cc1 95997208 XCQZSLZRLVYAFY-UHFFFAOYSA-N 321.323 3.995 0 40 DHAB C[C@H]1CCCN(C(=O)CCOC2CCOCC2)c2ccccc21 96013979 HPEKEGBHJVORDH-HNNXBMFYSA-N 317.429 3.503 0 40 DHAB CC(C)N(C(=O)[C@H](C)OC1CCCCCC1)C1CCOCC1 96472538 TZNDDVCNEOLAFX-HNNXBMFYSA-N 311.466 3.530 0 40 DHAB O=C(NCCc1ccc(F)cc1)C1(c2ccccc2)CCCC1 96648263 SXOHGDXSALFILB-UHFFFAOYSA-N 311.400 3.996 0 40 DHAB Fc1ccc2c(c1)ncn1nc(C3C4CC5CC(C4)CC3C5)nc21 97105472 YRBGVMXXYXTOEH-UHFFFAOYSA-N 322.387 3.956 0 40 DHAB CC(=O)N1CCC(NCc2ccc(-c3cccc(C)c3)cc2)CC1 97235428 CWULLGSWXCZDJU-UHFFFAOYSA-N 322.452 3.763 0 40 DHAB C[C@H](N[C@H](C)c1nc(-c2cccs2)no1)c1ccncc1 97370701 YOOJAUVNNRCMJE-WDEREUQCSA-N 300.387 3.605 0 40 DHAB Cc1cc(C)nc(N2CCC(Oc3c(C)cccc3C)CC2)n1 97476673 BPGUCJNGUPHCQZ-UHFFFAOYSA-N 311.429 3.758 0 40 DHAB CCCc1cc(=O)n2nc(C(F)(F)F)c(-c3ccccc3)c2[nH]1 100232448 GZVYTVAPZRBRDQ-UHFFFAOYSA-N 321.302 3.661 0 40 DHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2C1 102592355 BTTQZUYLTAOLGJ-KXUCPTDWSA-N 312.196 3.919 0 40 DHAB CC1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 102841560 GOJANQILHWLMMS-INDMIFKZSA-N 311.510 3.557 0 40 DHAB O=C(COc1cccc(Cl)c1)NCCSC1CCCC1 223292766 QCGQUGWQGKPWMV-UHFFFAOYSA-N 313.850 3.511 0 40 DHAB COc1cccc(O[C@@H](Cc2ccc(Cl)cc2C)C(=O)O)c1 225074840 NNFGFQGJLDPCAZ-INIZCTEOSA-N 320.772 3.732 0 40 DHAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[C@H](N)c1ccccc1 225443885 SDJLWMHAPFDCMV-SJCJKPOMSA-N 318.367 3.574 0 40 DHAB COc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1Cl 225641925 XLZBGXIYFLVAGT-UHFFFAOYSA-N 311.809 3.882 0 40 DHAB C[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc3c2CCCC3)C1 225855773 BSSFHXIWHZBOMI-HUUCEWRRSA-N 301.430 3.591 0 40 DHAB CCCCOc1ncc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C 225902556 SXKFLIXQVIQZOB-SFHVURJKSA-N 320.433 3.713 0 40 DHAB CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCCN(C)C2)s1 257321566 WCEVAGSOBRGBTH-CYBMUJFWSA-N 316.474 3.608 0 40 DHAB CC(C)C[C@@H](c1nc(CC2=CCCC2)no1)N1CCCCC1=O 273776172 RUYJARNCVRLKMZ-HNNXBMFYSA-N 317.433 3.822 0 40 DHAB CC(=O)n1nc(-c2ccccc2)nc1SCc1ccccc1 350085 VZZGZMXMSCMELI-UHFFFAOYSA-N 309.394 3.898 0 40 DHAB CC(C)CC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 488065 RIASDQLUHLNSFP-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB biogenic Cc1oc2cc(OC(=O)N(C)C)ccc2c(=O)c1-c1ccccc1 491160 MRGNWNPKQIOMEQ-UHFFFAOYSA-N 323.348 3.829 0 40 DHAB biogenic Cc1ccsc1[C@@H]1NC(=O)c2c(sc3c2CCCC3)N1 565702 TVEWWDBZDFOADQ-CYBMUJFWSA-N 304.440 3.851 0 40 DHAB COc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 1268529 KFMXAKKMDGEOOB-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB CC1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 3538708 FARYZDGDIKLWME-UHFFFAOYSA-N 301.217 3.664 0 40 DHAB COc1ccc2cc(-c3nc4ccc(C)cc4[nH]3)c(=O)oc2c1 4386882 RUHUVKHSXCGAFE-UHFFFAOYSA-N 306.321 3.653 0 40 DHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5n[nH]cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 4625584 GZCJWTCFQKPYQN-XLXYOEISSA-N 314.473 3.728 0 40 DHAB CC(=O)Oc1ccccc1C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 5707320 AKEZUIBGEWITHJ-NRXGSXMXSA-N 316.397 3.984 0 40 DHAB O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccco1)CCCC3 5928476 UZNIXIMNLQKJLE-UHFFFAOYSA-N 318.423 3.641 0 40 DHAB CCOc1ccc(NC(=S)N(C)Cc2cccs2)cc1 6335825 ZHYSACWWTIHELX-UHFFFAOYSA-N 306.456 3.976 0 40 DHAB O=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccc1 6567098 GNHHPZSPBVGHFH-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB CC[C@H](O)c1nc2ccccc2n1CCOc1ccccc1C 6745801 LLUNIYQKWMSZIS-KRWDZBQOSA-N 310.397 3.867 0 40 DHAB CC[C@@H]1CCCCN1C[C@H](O)CO[C@@H]1CCCc2ccccc21 6936291 WNOXUDZNUVFWLM-WSTZPKSXSA-N 317.473 3.706 0 40 DHAB Cc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)o1 8586621 QTTUFQUKFHENTK-UHFFFAOYSA-N 310.328 3.969 0 40 DHAB O=C(Nc1ccncc1)c1ccc2nc(-n3cccc3)sc2c1 8993142 KSFCRVRGWXUACH-UHFFFAOYSA-N 320.377 3.734 0 40 DHAB Cc1cc(-c2cnc(N3CCCCC3)nc2-c2ccoc2)on1 12252287 OUSKWDATWUHMFU-UHFFFAOYSA-N 310.357 3.690 0 40 DHAB CCc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1 12493236 BDTAFTVTECIWHE-UHFFFAOYSA-N 308.381 3.711 0 40 DHAB CCn1c2ccccc2c2cc(N[C@@H]3CCCCNC3=O)ccc21 12526773 UUMIWZGDXRIAAJ-QGZVFWFLSA-N 321.424 3.895 0 40 DHAB Cc1cc(C)c(NC(=O)c2cc(=O)[nH]c3ccccc23)c(C)c1 12776776 BLODSQNLCQQXJH-UHFFFAOYSA-N 306.365 3.706 0 40 DHAB CC(C)c1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1 12880169 RUHMDYKEXBIYMB-UHFFFAOYSA-N 314.385 3.552 0 40 DHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(O)c(Cl)c1 12922046 WFLIATQCJNFBFW-UHFFFAOYSA-N 310.180 3.672 0 40 DHAB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1ccc3c(c1)OCO3)N2 13123874 JLELGLQRUQDDHL-LJQANCHMSA-N 319.364 3.868 0 40 DHAB COc1cc(/C=C/C(=O)NC2CCCCC2)cc(Cl)c1OC 13140875 XYDNYRJPOCSXIQ-CMDGGOBGSA-N 323.820 3.819 0 40 DHAB COc1ccc(NC(=S)Nc2cc(F)ccc2C)cc1OC 13840395 ZLZBQKXOZNAIND-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CC[C@H](NC(=O)c1cccnc1SC)c1ccc(C)cc1 14602627 QKXWMOMQBYQXOT-HNNXBMFYSA-N 300.427 3.993 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccco1 15831417 SUHSXEWFJBGEPW-INIZCTEOSA-N 314.429 3.610 0 40 DHAB CCc1c(C)nc(Nc2nc(-c3ccccc3)cs2)[nH]c1=O 16884206 PIXJWAHVXUHHSR-UHFFFAOYSA-N 312.398 3.508 0 40 DHAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCCC1 16971365 OTCHUIWWELXLFG-UHFFFAOYSA-N 319.420 3.570 0 40 DHAB CC(C)(C)C(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19081105 PKUCKAUOUKMEPE-UHFFFAOYSA-N 319.430 3.550 0 40 DHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)C1CCCC1 19372880 RLKFRMBCFYLWSA-GOSISDBHSA-N 323.440 3.615 0 40 DHAB CCn1cc(CN2CCCCC[C@@H]2c2cc(C)on2)c(C)n1 19524548 KTKXNONDYYRDGG-QGZVFWFLSA-N 302.422 3.625 0 40 DHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N3CCCC3)c(C)c12 23055223 GNZFFUULFWMISK-UHFFFAOYSA-N 317.458 3.842 0 40 DHAB COc1ccc(C)cc1CCNC(=O)c1c(F)cccc1Cl 25828826 XILKBCSLLHHRGW-UHFFFAOYSA-N 321.779 3.769 0 40 DHAB CCn1c(SCc2ccccc2F)nc2ccsc2c1=O 27818021 KECYFHSHKFHKHU-UHFFFAOYSA-N 320.414 3.909 0 40 DHAB COc1ccc(OC[C@H](O)CNc2ccc(Cl)cc2)c(C)c1 28580838 XZULTPXNBRNUHX-OAHLLOKOSA-N 321.804 3.509 0 40 DHAB COc1ccc(OC)c([C@H](C)Nc2ncnc3ccsc23)c1 28624900 CUBMLXHEXQNPRB-JTQLQIEISA-N 315.398 3.882 0 40 DHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)SC(F)(F)F 33145825 RUOJZLBUKWISIH-LURJTMIESA-N 313.728 3.929 0 40 DHAB COC(=O)C(C)(C)[C@@H]1c2ccccc2C=C[C@@H]1C(=O)C(C)C 38337866 BUFRYSGUOPRCSR-JKSUJKDBSA-N 300.398 3.838 0 40 DHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1sccc1C 40112238 RTLBOXDVFANWCF-UHFFFAOYSA-N 314.410 3.966 0 40 DHAB Cc1ccsc1C(=O)NCc1ccc(COC(C)C)cc1 40122255 OZEFOSIYGUFFKC-UHFFFAOYSA-N 303.427 3.912 0 40 DHAB COc1ccc([C@H](O)c2ccc(Br)cc2)cc1C 40262271 HOLUPBGZVKLXRJ-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB COC(=O)c1ccc(Nc2cccc(Br)c2)c(N)c1 41081548 KRAMKARALRDMCH-UHFFFAOYSA-N 321.174 3.562 0 40 DHAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccoc3C)cc2F)n1 47409209 XKGIOFYCLUADSD-UHFFFAOYSA-N 313.332 3.782 0 40 DHAB CC(C)Oc1ccc([C@@H](C)Nc2cc(Cl)nc(N)n2)cc1 52356141 HLSYFWUOGDUZOQ-SNVBAGLBSA-N 306.797 3.673 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 57412746 IQIVXQYEKNWVMX-UHFFFAOYSA-N 323.327 3.671 0 40 DHAB O=C(COc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1O 57974239 FPSGOWTYFUMZRB-UHFFFAOYSA-N 313.136 3.666 0 40 DHAB CC(C)N(C(=O)CN1CCC[C@H]1c1ccc[nH]1)c1ccccc1 58101875 LJKHQIOGQZXVQP-SFHVURJKSA-N 311.429 3.593 0 40 DHAB CC[C@@H](C(=O)Nc1cccc(COC)c1)c1c(C)noc1C 58201621 CTKDPSLOFSAAPH-OAHLLOKOSA-N 302.374 3.570 0 40 DHAB Cc1cc2n(n1)C[C@H](CN[C@H](C)c1oc3ccccc3c1C)CN2 58308399 CEQFVOVFSWDWSY-HUUCEWRRSA-N 324.428 3.639 0 40 DHAB Cc1cc(NC(=O)C(C)C)cc(C)c1I 59294139 KWHIJQAVJMXRBT-UHFFFAOYSA-N 317.170 3.503 0 40 DHAB Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)no1 66602266 SHILLPQVQJJKQL-UHFFFAOYSA-N 310.275 3.672 0 40 DHAB Cc1nc(CC(=O)N2CCCCC[C@@H]2c2ccncc2)cs1 71798126 WFENYDDTNJWDJG-MRXNPFEDSA-N 315.442 3.533 0 40 DHAB COc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72211717 ZRXYPWDEDCZTEY-MRXNPFEDSA-N 312.369 3.564 0 40 DHAB COc1ccc(CN[C@H](C)c2ccccn2)c(Cl)c1OC 78603725 NNNXHUQAPASPGG-LLVKDONJSA-N 306.793 3.603 0 40 DHAB CCc1ccc([C@@H]2CCCCCN2C(=O)c2cnc(C)cn2)o1 78850091 OBJDRGLAVYFPHY-INIZCTEOSA-N 313.401 3.698 0 40 DHAB COc1ccc(C(=O)N2CCCC2)cc1NCc1ccccc1 78920493 TYFHAZQVEBWPFL-UHFFFAOYSA-N 310.397 3.543 0 40 DHAB O=C(NCc1ccccn1)[C@H]1C[C@H]1c1cccc2ccccc12 89873201 MJZPHCHYUDKFQM-OALUTQOASA-N 302.377 3.655 0 40 DHAB Cc1ccc([C@H]2CN(Cc3ccc(-c4cccnc4)o3)CCO2)o1 93864672 XMLXNACAVVGONC-LJQANCHMSA-N 324.380 3.817 0 40 DHAB Cc1cc(C)c2c(c1)N(C(=O)C1C[C@H](C)O[C@@H](C)C1)CCC2 94099711 SGGKMPSPZMPLHK-GJZGRUSLSA-N 301.430 3.786 0 40 DHAB CCCC[C@H](CC)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 95350382 BXFUJECZVYCZDB-LIRRHRJNSA-N 314.429 3.596 0 40 DHAB CC(C)c1nc2ccc(NC(=O)c3ccc(N[N+]#N)nc3)cc2[nH]1 95474999 NPQNJBUFRJGOLK-UHFFFAOYSA-O 322.352 3.514 0 40 DHAB Cc1occc1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 96417241 XQMRUAFJWMWEBD-CYBMUJFWSA-N 318.348 3.570 0 40 DHAB Cc1oc(-c2ccccc2)nc1COc1ccc(CC(=O)O)cc1 96997610 SLKJBXYDOUKCBF-UHFFFAOYSA-N 323.348 3.856 0 40 DHAB COc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)cc1 101084818 BXVXTPNKOBMPNX-HNAYVOBHSA-N 324.380 3.773 0 40 DHAB CCCN(CCC)C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213677 WLHJRBJPHRKJAX-BMFAXAFESA-N 311.510 3.701 0 40 DHAB Cc1ccc(C)c([C@@H]2C=C(c3ccccc3)Nc3ncnn32)c1 102157069 IMTDRMUSHSUGJF-SFHVURJKSA-N 302.381 3.951 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccccc2OC(C)C)c1 219737260 VGLWBTOKZRQDDQ-UHFFFAOYSA-N 313.353 3.513 0 40 DHAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 222941962 WXAXLXRILGHDPZ-UHFFFAOYSA-N 323.392 3.842 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2F)cc1 223286571 DLITUOFBGWVRBY-CYBMUJFWSA-N 321.417 3.569 0 40 DHAB CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccs1 225139077 NOMLAQGOMNQQDV-UHFFFAOYSA-N 322.238 3.880 0 40 DHAB CC(C)(C)c1ccc(NC(=O)Nc2cnc3ccnn3c2)cc1 225575172 YYEFPXQHWDVPCP-UHFFFAOYSA-N 309.373 3.671 0 40 DHAB CCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)cc1)C1CC1 225722429 SCQWWZVHXASYRC-GOSISDBHSA-N 305.418 3.865 0 40 DHAB CC(C)CN1CCCc2cc(I)ccc21 256052220 MLEKKIZSVCWZLV-UHFFFAOYSA-N 315.198 3.700 0 40 DHAB Cc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408707033 ILOQDNUZRXWMAK-UHFFFAOYSA-N 316.445 3.655 0 40 DHAB O[C@H](c1nc(-c2ccc(Oc3ccccc3)nc2)no1)C1CCC1 585133818 WMYMKDMRWVBHIV-INIZCTEOSA-N 323.352 3.757 0 40 DHAB CCN(CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 1563812542 OJMWNEKBOUJQRM-HRCADAONSA-N 311.514 3.573 0 40 DHAB O=C1O[C@@H](C(=O)Nc2cccc3ccccc23)Cc2ccccc21 536638 PWRWAEVQRKOSBO-GOSISDBHSA-N 317.344 3.560 0 40 DHAB Cc1ccc(NC(=O)NC(C)(C)C)cc1NC(=O)NC(C)(C)C 1512379 DFBASGUQMXMKRR-UHFFFAOYSA-N 320.437 3.835 0 40 DHAB O=S(=O)(C(c1ccccc1)c1ccccc1)N1CCCCC1 1656335 ZYQKBBLPSKPPQH-UHFFFAOYSA-N 315.438 3.592 0 40 DHAB CC(C)CC[C@@]1(CCN2C(=O)CCC2=O)CCOC(C)(C)C1 2112073 CEHGAKFXTIQVPW-GOSISDBHSA-N 309.450 3.537 0 40 DHAB biogenic CCOC(=O)[C@H](CC(=O)c1ccc2ccccc2c1)C(=O)CC 2187189 IVMLWTRUYLHZPW-MRXNPFEDSA-N 312.365 3.571 0 40 DHAB O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccs1 3132967 KIWRFBMYXOFTFQ-UHFFFAOYSA-N 307.378 3.556 0 40 DHAB CCOc1ccc(Oc2ccc(NC(=S)NC)cc2)cc1 3335603 RNAJGZFDOYGMFN-UHFFFAOYSA-N 302.399 3.794 0 40 DHAB C(=C1/Cn2c(nc3ccccc32)S1)\c1ccc2c(c1)OCO2 5635582 YZGQLSNHJGSPMI-GHXNOFRVSA-N 308.362 3.912 0 40 DHAB Cc1cccc(N2C[C@@H](c3nc4ccc(C)cc4[nH]3)CC2=O)c1 5818502 WHQREXARRQGGNL-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 5873663 YIGDHXYOSZKHNH-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC(F)F 5937525 BVYJUNFRSWYFSL-XYOKQWHBSA-N 317.291 3.789 0 40 DHAB Cc1ccc(CNCCCSc2nc(C)cc(C)n2)cc1 6678425 YNXBCWSDWLTDEL-UHFFFAOYSA-N 301.459 3.674 0 40 DHAB COc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 6831304 SAEHMSNLVNOAKI-JTQLQIEISA-N 322.767 3.927 0 40 DHAB COc1ccccc1N[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7115946 MNDILFFVCDJTTG-GFCCVEGCSA-N 314.385 3.526 0 40 DHAB CC1CCN(CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 7446885 DDVDJWNVLHISBM-MRXNPFEDSA-N 310.441 3.749 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1ccccc1Cl 8274642 VOGQNIHMRDQZJD-SOFGYWHQSA-N 315.756 3.763 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCc3ccccc32)c(C)c1 10752289 KRUJVMBPGWFCKH-QGZVFWFLSA-N 315.438 3.578 0 40 DHAB COc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C)cc2)cc1 11801839 KFCHEYZMCXGTHC-UHFFFAOYSA-N 308.337 3.555 0 40 DHAB Cc1cc(NC(=O)CSc2ccccc2)n(-c2ccccc2)n1 13701191 WLVSOQDAHYCTOT-UHFFFAOYSA-N 323.421 3.912 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)c1 22524783 UVHHJLHDGSWHHH-CABCVRRESA-N 313.397 3.648 0 40 DHAB Cc1ccc([C@H](C)NCc2cc(Cl)c3c(c2)OCCO3)o1 22794466 RLKDXZHWFMQTFG-NSHDSACASA-N 307.777 3.863 0 40 DHAB CCc1cc(C(=O)NCc2ccc(CN(C)C)cc2)sc1C 23962186 WUVSYTIJHUDVPB-UHFFFAOYSA-N 316.470 3.611 0 40 DHAB Cc1cccc(OCCNC(=O)CCc2ccccc2Cl)c1 24580497 TZRIAJFGMTYDFI-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB COP(=O)(OC)[C@@H](/C=C(/Cl)c1ccc(C)cc1)N(C)C 32237375 DHUGUSHZSVRSKS-UELRPHRMSA-N 317.753 3.948 0 40 DHAB CCn1nc(C)c2c(C(=O)Nc3ccccc3C)cc(C)nc21 32648423 LAKGMWZMEDMFHB-UHFFFAOYSA-N 308.385 3.629 0 40 DHAB Cc1cc(Br)ccc1NC(=O)CC[C@H]1CCCO1 32816078 CLKUCDXWAROXDI-GFCCVEGCSA-N 312.207 3.655 0 40 DHAB C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1ccccc1 36398289 OFISFXLMPFQBOE-NSHDSACASA-N 308.834 3.656 0 40 DHAB COc1ccc([C@@H](O)c2cccc(Br)c2)c(OC)c1 40248066 BKPQEPUVXRDKJO-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB CC(C)(C)c1nnc(SCc2nc(-c3cccs3)no2)o1 42570326 BZIYWFGSSQMDCJ-UHFFFAOYSA-N 322.415 3.771 0 40 DHAB O=c1ccc(-c2ccccc2Cl)nn1Cc1cccc(F)c1 44900771 KNWZVMZYOSUFSZ-UHFFFAOYSA-N 314.747 3.751 0 40 DHAB O=C(NCC1CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 45458966 ADVPPCDDTRTBPQ-LJQANCHMSA-N 306.409 3.754 0 40 DHAB COCc1ccccc1CNC(=O)Nc1ccc(F)c(F)c1F 48332923 BBVPUBFTXBDAEC-UHFFFAOYSA-N 324.302 3.572 0 40 DHAB CC(C)Oc1ccccc1NC(=O)NCCc1ccccc1F 48354142 XFAYJMYCZOFHBN-UHFFFAOYSA-N 316.376 3.977 0 40 DHAB COc1ncccc1NC(=O)c1oc2ccc(F)cc2c1C 49056177 OLCWGIOVSKMDGM-UHFFFAOYSA-N 300.289 3.536 0 40 DHAB CCSCCC(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 55654036 HBCUKFZUTIIXLG-AWEZNQCLSA-N 323.458 3.635 0 40 DHAB Fc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)cc1 57617658 KRJFJZWDVNQAGB-UHFFFAOYSA-N 321.399 3.696 0 40 DHAB Cc1nccc(C(=O)NCc2cccc(Oc3ccccc3)c2)n1 58392075 CQSFUWDVFQCSFP-UHFFFAOYSA-N 319.364 3.507 0 40 DHAB C[C@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)n1ccnc1 69443184 ONIFCTRDBRFBAD-MRXNPFEDSA-N 319.408 3.770 0 40 DHAB O=C(CCN1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1Cl 69489808 ZCDOTDFLIKKUMY-INIZCTEOSA-N 317.820 3.834 0 40 DHAB Cc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 72227783 BTDVEIHAOLRLFE-GJZGRUSLSA-N 321.207 3.717 0 40 DHAB CCOc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)cc1C 72283382 CSXVIVFQERZCDY-LLVKDONJSA-N 317.389 3.881 0 40 DHAB Cc1ncsc1CNC(=O)N1CC=C(c2cccs2)CC1 76017046 RNNDNWPBJZCBGT-UHFFFAOYSA-N 319.455 3.512 0 40 DHAB Cc1nc(C(C)(C)NC(=O)CSC(C)(C)C)sc1C 76475902 YWJJGAVSHRLTBM-UHFFFAOYSA-N 300.493 3.643 0 40 DHAB Cc1noc(C)c1CS(=O)(=O)CCC1C[C@@H](C)C[C@H](C)C1 89099549 VIQUUGZOICLNJP-RYUDHWBXSA-N 313.463 3.669 0 40 DHAB C[C@H](Sc1ccccn1)c1nc(COc2ccccc2)no1 89913654 FXXQXLXLPHBWAQ-LBPRGKRZSA-N 313.382 3.897 0 40 DHAB Cc1cc(C)c(C(=O)N[C@@H](C)Cc2c(C)noc2C)c(C)c1 90602630 FYLCPSVRZQKCAG-ZDUSSCGKSA-N 300.402 3.578 0 40 DHAB Cc1nccn1-c1ccc(CN[C@H]2CCCc3sccc32)cn1 95420608 GXBZOERRARGRIN-INIZCTEOSA-N 324.453 3.804 0 40 DHAB CCc1cccc(N(C#N)Cc2noc(-c3ccccc3)n2)c1 95964361 AUQSJSXTZMYOLU-UHFFFAOYSA-N 304.353 3.787 0 40 DHAB Cc1nc(Nc2ccc(C)c(C)c2)cc(C(=O)N2CCCCC2)n1 96182780 WOSNWIZAAGXVMW-UHFFFAOYSA-N 324.428 3.772 0 40 DHAB CS[C@@H]1CCC[C@H](NC(=O)c2c(F)cccc2Cl)C1 96409379 NJBUSDVSTCTTFU-VHSXEESVSA-N 301.814 3.883 0 40 DHAB CCSCc1cccc(NC(=O)N[C@H](C)c2cnn(C)c2)c1 96435248 KPMSKTUENLFDCN-GFCCVEGCSA-N 318.446 3.556 0 40 DHAB c1csc(-c2nnc(NCc3cccc4cccnc34)o2)c1 97114547 BRGWKBGMPKMOSQ-UHFFFAOYSA-N 308.366 3.958 0 40 DHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCCCCCC1 102158265 KBKOGNNERVBDDK-JYJNAYRXSA-N 321.461 3.585 0 40 DHAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCC[C@@H](c2nc3ccccc3o2)C1 102798809 KKUPGGATJAVMQL-FPCVCCKLSA-N 324.424 3.970 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(Cl)c2)cc1 114426877 GPNODRDZNZKQRH-NSHDSACASA-N 319.788 3.848 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)Cc2ccc(OC)c(C)c2)cc1 224039283 HVDOHLOTNZZHIH-OAHLLOKOSA-N 311.425 3.986 0 40 DHAB CC(C)NC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 225410513 CJSYQBKEQRKCNM-UHFFFAOYSA-N 301.434 3.709 0 40 DHAB CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)C1=CCOCC1 225422596 HCJNOPBIGHKBQV-MRXNPFEDSA-N 319.470 3.637 0 40 DHAB CCOc1ccc(CNC(=S)Nc2cccc(OC)c2)cc1 225429550 NLKCFFXTJHDFOG-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB CCc1nc2cc(C(=O)Nc3cc(C)ccc3OC)ccc2n1C 225896892 ROAZFGIFAPJOTD-UHFFFAOYSA-N 323.396 3.705 0 40 DHAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cn1 225908981 FIMWDFIBDHIATP-UHFFFAOYSA-N 320.433 3.938 0 40 DHAB Cc1ccc(NC(=O)C(C)(C)C)cc1-c1ccc(C(=O)O)o1 226352411 AMIGBHVGQLCLEU-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB CCCc1nnc(CN2Cc3ccccc3OC(C)(C)C2)s1 585083904 XZQPEZQWDCUSTM-UHFFFAOYSA-N 317.458 3.664 0 40 DHAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(C2CC2)nc1 585150085 APCYGQSURKQCRA-UHFFFAOYSA-N 315.804 3.612 0 40 DHAB c1ccc(-c2ccc(OCc3cn4cccnc4n3)cc2)cc1 90369 KXELZOKDQOPEJD-UHFFFAOYSA-N 301.349 3.975 0 40 DHAB Cc1ccc([C@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 222165 CULKHJRCHPFENE-SJORKVTESA-N 308.360 3.872 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(OC)cc3)cc2c1 421130 FZQODEGDKPKESS-UHFFFAOYSA-N 324.380 3.548 0 40 DHAB Cc1cc2c(=O)oc(-c3ccc(Br)cc3)nc2s1 503730 WJMGQAOPSIONSR-UHFFFAOYSA-N 322.183 3.987 0 40 DHAB CC(=O)Oc1ccc2c(=O)c(Oc3ccc(C)cc3)coc2c1 518196 WIZXGOPTWBZLCR-UHFFFAOYSA-N 310.305 3.819 0 40 DHAB biogenic Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1 778515 JDCNSSZDAWXYKI-UHFFFAOYSA-N 315.423 3.519 0 40 DHAB CC(=O)c1sc(N)c(C(=O)Nc2ccc(C)cc2C)c1C 792521 LKYTYLKLMGXTTN-UHFFFAOYSA-N 302.399 3.710 0 40 DHAB CSc1nnc(-c2sccc2OCc2ccccc2)n1C 1395876 DFYSZSPQYOIVAT-UHFFFAOYSA-N 317.439 3.845 0 40 DHAB CN(CC[C@]1(C)C(=O)CCc2ccccc21)Cc1ccccc1 1581099 ZMKGNTPUJWEYCT-NRFANRHFSA-N 307.437 3.982 0 40 DHAB Cc1cccc(N2C(=O)S[C@H](Nc3ccccc3F)C2=O)c1 2416787 QLNPFRFNBDAEHX-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB CCOC(=O)c1cccc(C(=O)CCc2ccc(OC)cc2)c1 2516551 PWLCWLCFPAFYDD-UHFFFAOYSA-N 312.365 3.687 0 40 DHAB O=C(COc1cccc2cccnc12)Nc1cccc(Cl)c1 3257277 HJRUESVNRSJAQZ-UHFFFAOYSA-N 312.756 3.906 0 40 DHAB Cc1cc(=O)[nH]c(SCCSc2ccc(Cl)cc2)n1 4625651 MBSCUFPNATVMIR-UHFFFAOYSA-N 312.847 3.616 0 40 DHAB O=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 5506363 VCLHSKXQQGFNQN-UHFFFAOYSA-N 318.376 3.993 0 40 DHAB COC(=O)c1ccccc1C[C@H]1Cc2c(C)ccc(C)c2C1=O 5539893 UFCRTEPYKAXNSP-HNNXBMFYSA-N 308.377 3.688 0 40 DHAB Clc1ccc(SCc2n[nH]c(-c3ccncc3)n2)cc1 6472476 HWONWQLQPGMRLG-UHFFFAOYSA-N 302.790 3.812 0 40 DHAB Cc1cc(COc2ccccc2C(=O)Nc2ccccc2)no1 7896191 KXQNNFFSGKLBPE-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB Cc1cc(C2=NN=C(N[C@H]3CCCC[C@H]3C)SC2)c(C)n1C 8327604 GGQLAEFRGGZPEF-ABAIWWIYSA-N 318.490 3.617 0 40 DHAB Cc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1C 8583064 OAPCJBMBKSJNLM-UHFFFAOYSA-N 321.428 3.813 0 40 DHAB O=C(Nc1nc2c(ccc3ccccc32)s1)C1CCOCC1 8855586 IEGGFITWGZSMFX-UHFFFAOYSA-N 312.394 3.815 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc3ncsc3c2)cc1 8936087 LYVFWLSEKSLURS-UHFFFAOYSA-N 312.394 3.577 0 40 DHAB CCCCCc1c(C)nc(Nc2ccccc2OC)[nH]c1=O 9014244 OUHQEEFVCDQAAS-UHFFFAOYSA-N 301.390 3.563 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 9053728 AEGLXNOHTUDGOO-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB Cc1ccc(OCCCC(=O)NCCCc2ccccc2)cc1 10110351 SCSYANDGXNELBB-UHFFFAOYSA-N 311.425 3.903 0 40 DHAB Cc1oc(C)c(C(=O)NCc2ccccc2OC(F)F)c1C 10115062 DWRCQXAZRGQHIU-UHFFFAOYSA-N 309.312 3.736 0 40 DHAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1nccs1 10508393 SGRPOLCHGIIPRA-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB COCc1nc2ccccc2n1CCCOc1cccc(C)c1 12462859 UNRKJPWETNDJDV-UHFFFAOYSA-N 310.397 3.960 0 40 DHAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Cl)cc1 12749276 ZCVOTGIUOFLEKX-UHFFFAOYSA-N 322.817 3.550 0 40 DHAB O=C(/C=C/c1ccc(Cl)s1)NCCc1ccccc1F 14494842 CDBMQDNKDMVJBX-SOFGYWHQSA-N 309.793 3.913 0 40 DHAB C[C@H](NC(=O)CSCc1ccccc1)c1ccc(F)cc1 15403889 XRIHBHCUPDFPSM-ZDUSSCGKSA-N 303.402 3.936 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1c(Cl)cccc1Cl 16545626 JVHIKIXAMNXMKI-UHFFFAOYSA-N 320.179 3.982 0 40 DHAB O=C(CC1CCCC1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 19346882 YLHAFTCVLSBMGP-INIZCTEOSA-N 311.429 3.849 0 40 DHAB O=C(CC[C@@H]1CCCO1)N1CCCC[C@H]1CCc1ccccc1 19371004 YASBZADDGJVEHM-OALUTQOASA-N 315.457 3.960 0 40 DHAB C[C@@H]1C[C@@H](C)CN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1 19462609 DYFNFGPTQJSGTM-CPUCHLNUSA-N 313.445 3.892 0 40 DHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C[C@@H](O)c1cccs1 19498296 XUVWJJQEZLOFGT-MLGOLLRUSA-N 312.438 3.882 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1C 20025583 QTOIKXOBTTWURZ-CQSZACIVSA-N 313.397 3.893 0 40 DHAB CCCCSCC(=O)Nc1cccc(N2CCCCC2=O)c1 24943080 NRKLQAKZJRDTGC-UHFFFAOYSA-N 320.458 3.675 0 40 DHAB Cc1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 25364516 XEWPRUCKISEGNZ-INIZCTEOSA-N 306.413 3.735 0 40 DHAB O=C(NC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 26329959 NYEFIBNYAUYJKF-UHFFFAOYSA-N 324.258 3.547 0 40 DHAB Cc1nccn1-c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 28245136 BJYXWUFILFJLLD-MOPGFXCFSA-N 317.392 3.923 0 40 DHAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccco1 32610018 LGKLFGQJBVDJKM-UHFFFAOYSA-N 319.723 3.569 0 40 DHAB CN(CCCNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 32755008 CTNGIIMDOMJZGN-HXUWFJFHSA-N 322.452 3.749 0 40 DHAB O=C(CSCCOc1ccccc1)Nc1ccc(F)c(F)c1 32794062 WZMGYYLXLKLFNB-UHFFFAOYSA-N 323.364 3.716 0 40 DHAB COC(=O)c1ccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1 32865751 VRAIOGIRWTUJNK-SFHVURJKSA-N 323.392 3.663 0 40 DHAB CC(C)(C)CC(=O)NCC1CCN(Cc2cccs2)CC1 38584347 WAWOPFCOEPWDNE-UHFFFAOYSA-N 308.491 3.513 0 40 DHAB CCCCOc1cccc(CNC(=O)COc2ccccc2)c1 40122174 AASBGSNSCVNTCM-UHFFFAOYSA-N 313.397 3.561 0 40 DHAB C[C@@H](SCc1ccccc1)C(=O)NCCOc1ccccc1 44311812 OIXDACLSVCZQBH-OAHLLOKOSA-N 315.438 3.504 0 40 DHAB CN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CCCC1 44904714 BDZGNYCLIQGBSS-UHFFFAOYSA-N 300.446 3.687 0 40 DHAB NC1CCC(Oc2ccc(Cl)cc2Br)CC1 55144036 BJLILVAILUADPE-UHFFFAOYSA-N 304.615 3.751 0 40 DHAB CC(C)c1nc(CC(=O)N2CCC[C@H]2c2ccccn2)cs1 55523612 SYEFGMXHYRTMHJ-HNNXBMFYSA-N 315.442 3.568 0 40 DHAB O=C(c1cnccn1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 57303277 JCAQMQDJFTXBHM-AWEZNQCLSA-N 322.195 3.761 0 40 DHAB COCc1ccccc1C(=O)NCCc1c(C)[nH]c2ccccc12 58323133 SUJGFJDLMAOXQL-UHFFFAOYSA-N 322.408 3.595 0 40 DHAB CC[C@H]1Oc2ccc(OCc3cccc(F)c3)cc2NC1=O 61997482 HNYNNXFMJHSELS-OAHLLOKOSA-N 301.317 3.514 0 40 DHAB CC[C@H](C)NC(=O)Nc1cccc(COCCOC(C)C)c1 62416884 PSBZDXFKWGCKQH-AWEZNQCLSA-N 308.422 3.548 0 40 DHAB CCc1ccc(CNC(=O)c2cn[nH]c2-c2cccs2)cc1 72329443 IZTLSMAGTYHORR-UHFFFAOYSA-N 311.410 3.631 0 40 DHAB Cc1cc(-c2cnc(NCc3cccs3)nc2C2CC2)on1 72340343 SCZKSLURTFYZRZ-UHFFFAOYSA-N 312.398 3.991 0 40 DHAB C[C@H](O)C[C@@H](C)CNC(=O)Nc1ccc(SC(F)F)cc1 77658123 ZVBSKTJSCMOLMD-ZJUUUORDSA-N 318.389 3.530 0 40 DHAB Cc1noc(CCCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 78970998 WHNBNJYPCKYWTM-BLLLJJGKSA-N 315.417 3.692 0 40 DHAB CC(C)(C)OC(=O)n1cc(O)c2cc(Br)ccc21 80443804 UYKJMKACHJGPMV-UHFFFAOYSA-N 312.163 3.893 0 40 DHAB Cc1ccc(NCc2cccc3cn[nH]c23)cc1O[C@@H]1CCOC1 84050987 FQYCJAJAPFGFKP-QGZVFWFLSA-N 323.396 3.651 0 40 DHAB Cc1cccc(NC(=O)c2c(F)cccc2Br)c1O 88403531 OMZKSGDFGIRWGY-UHFFFAOYSA-N 324.149 3.855 0 40 DHAB COc1cc(F)c(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1F 89420801 ANFYUCZNGVZKMP-HZMBPMFUSA-N 310.344 3.770 0 40 DHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cccc(O)c1 90624709 JTTUNBLUEYWTRZ-UHFFFAOYSA-N 317.388 3.918 0 40 DHAB C[C@H](Cc1ccsc1)N(C)Cc1ccc([S@](C)=O)cc1 93705848 QXRXJSRWRGQYQC-ZUOKHONESA-N 307.484 3.549 0 40 DHAB COCc1cc(CN[C@H](C)c2ccc(OC)c(F)c2)ccc1F 95422706 AHKPRDRNVIIADE-GFCCVEGCSA-N 321.367 3.971 0 40 DHAB COc1ccc2c(c1)c(C(=O)NCc1cccnc1)cn2C(C)C 95473363 WPTQLFCVXHUWBR-UHFFFAOYSA-N 323.396 3.556 0 40 DHAB CNC(=S)N1N=C(c2cccc(F)c2)C[C@@H]1c1cccs1 95946215 BZUOTJLFNBAGCZ-CYBMUJFWSA-N 319.430 3.543 0 40 DHAB COc1ccc([C@H](NC(=O)N2CC[C@@H](C)[C@H]2C)C2CC2)cc1 95963557 MEUAZUNYMFFOFQ-PBFPGSCMSA-N 302.418 3.586 0 40 DHAB CCS[C@@H]1CC[C@@H](N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 95979110 IQKCPKRVDUUXCB-CHWSQXEVSA-N 309.479 3.588 0 40 DHAB CCc1ccc([C@H](C)NCc2nccn2Cc2ccccc2)o1 96478707 AVZFUYKVDMABMT-HNNXBMFYSA-N 309.413 3.938 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(CN(C)C(C)C)CC2)C1(C)C 107339121 WVGWJHYRHCAOQV-MSOLQXFVSA-N 320.521 3.804 0 40 DHAB CCOC(=O)c1cnc(-c2ccccc2Br)s1 199552688 FJPKBYSJDRSUNJ-UHFFFAOYSA-N 312.188 3.749 0 40 DHAB CC[C@@H](C(=O)OC)N1c2cc(OC)ccc2C(C)=CC1(C)C 223199436 IITVVCBXJRILHY-HNNXBMFYSA-N 303.402 3.649 0 40 DHAB Cc1ccccc1CNC(=O)COc1ccc2c(c1)CCCC2 223405650 WGCLPMYENQABDN-UHFFFAOYSA-N 309.409 3.569 0 40 DHAB COCc1cc(C(=O)Nc2cccc(SC)c2)ccc1OC 224399358 JWFGOXLAYYRDNH-UHFFFAOYSA-N 317.410 3.816 0 40 DHAB Cc1ccc(Cl)cc1C[C@H](OCc1ccccc1)C(=O)O 225079025 SQCZFQQFPHTWAK-INIZCTEOSA-N 304.773 3.861 0 40 DHAB CCOc1cc(CNC[C@@H]2CCCO2)ccc1OC1CCCC1 225158053 AWPLRKNXUDOROE-KRWDZBQOSA-N 319.445 3.675 0 40 DHAB CCOc1cccc(NC(=S)NCCCc2ccco2)c1 225805209 KHDPBXBHDIHXHS-UHFFFAOYSA-N 304.415 3.598 0 40 DHAB CCN(C(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 252491461 LMXUXYXCQXIPQU-VXGBXAGGSA-N 315.335 3.873 0 40 DHAB Cc1ccc2c(c1)[C@H](NC(=O)c1cc(O)c3ccccc3c1)CO2 525926369 DNDKYDIBWVBYRJ-QGZVFWFLSA-N 319.360 3.717 0 40 DHAB CC1CCC(C(=O)N2CCC([C@H]3CCCCN3C)CC2)CC1 1614947809 NNUYANLTXYPQBE-VMWRSERWSA-N 306.494 3.536 0 40 DHAB O=C(COCc1ccccc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008666 LOLWUYIDJJOJSD-OALUTQOASA-N 311.425 3.693 0 40 DHAB Cc1cc(C)n2nc(SCc3ccc(F)cc3Cl)nc2n1 217119 ZLZQQOCFBZXLOG-UHFFFAOYSA-N 322.796 3.826 0 40 DHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 1930532 DQSGNMOMMDOAPO-DHZHZOJOSA-N 313.328 3.654 0 40 DHAB O=C(/C=C/c1cccs1)Nc1nnc(-c2cccs2)o1 2641531 BEDKUUKZYAKKIU-AATRIKPKSA-N 303.368 3.512 0 40 DHAB O=C(OCc1ccc(Br)cc1)c1ccc(O)cc1 3294409 UVYGIBXHJTVMAX-UHFFFAOYSA-N 307.143 3.512 0 40 DHAB CC(C)c1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3300959 JIRKLFDAHYJOQL-UHFFFAOYSA-N 321.380 3.771 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 3606648 CHKQIKGCFNLUCB-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB O=C(Nc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 4276211 BQTPYGFVIPEAIV-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB COc1cccc(C(=O)Nc2nc3c(F)cccc3s2)c1 4331535 PXNBMWVIOWAVTP-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccco2)N3)C1 4543285 SPSULWZFEMMPFP-AUZMMHNKSA-N 314.410 3.661 0 40 DHAB CCCN1C(=O)N/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 4698904 BXMWMLLELSODAA-GHRIWEEISA-N 306.365 3.656 0 40 DHAB CCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 5236202 MGIPGTMJZXGQIZ-UHFFFAOYSA-N 318.756 3.778 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSC1=NCCS1 5445676 HIMNLMQMSZFMPO-FRRDWIJNSA-N 315.504 3.826 0 40 DHAB COc1ccc([C@@H](CCC(C)C)CCN2C(=O)CCC2=O)cc1 5500311 OIVGETYHRFSPPW-INIZCTEOSA-N 317.429 3.754 0 40 DHAB Cc1cc2occ(CC(=O)O[C@H]3CCCCC3=O)c2cc1C 5628191 HHCLBICIXVRZCN-INIZCTEOSA-N 300.354 3.647 0 40 DHAB COc1ccc(C(=O)Nc2cccc3ncccc23)cc1OC 6170730 IDDDTFAGPWHHKG-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB COc1ccc(Cl)cc1C(=O)Oc1ccccc1C(C)=O 6515281 RFNVOYBLFYCCEB-UHFFFAOYSA-N 304.729 3.770 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC(F)F)cc2)c1C 6901560 KLXSNKRETZVTRJ-UHFFFAOYSA-N 322.311 3.688 0 40 DHAB CCOc1ncccc1C(=O)Nc1nc2c(C)cccc2s1 7007538 CQSXUCKBRHVBCK-UHFFFAOYSA-N 313.382 3.651 0 40 DHAB O=C(Nc1nc(-c2cccnc2)cs1)Nc1ccccc1F 8429375 APNOJMLWPVKXDT-UHFFFAOYSA-N 314.345 3.988 0 40 DHAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)N1CCCCCC1 8714298 AXDJKMGTCBJZHE-UHFFFAOYSA-N 323.245 3.526 0 40 DHAB Cc1ccccc1CNC(=O)CCC(=O)c1ccc(Cl)s1 9501057 BHVMBTAIYKNKOR-UHFFFAOYSA-N 321.829 3.989 0 40 DHAB Cc1ccc(C)c(NC(=O)Nc2ccc(Cn3cncn3)cc2)c1 9875135 ZGNBZDAUQRJKSP-UHFFFAOYSA-N 321.384 3.587 0 40 DHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)s1 9959150 ULNYCOINDNPNHW-CQSZACIVSA-N 314.410 3.684 0 40 DHAB CCc1ccc(CCC(=O)NCCc2ccc(OC)cc2)cc1 10338010 VHBWQBULZAGPEW-UHFFFAOYSA-N 311.425 3.549 0 40 DHAB O=c1oc2ccccc2n1[C@H]1CCCN(CC2CCCCC2)C1 12336913 LYBDSSYXELFUKU-INIZCTEOSA-N 314.429 3.812 0 40 DHAB COc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1 12422249 UHNNLGMHGDPALW-UHFFFAOYSA-N 314.366 3.593 0 40 DHAB Cc1cccc(NC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 12538831 AOZOGRNDEJVEPN-KRWDZBQOSA-N 320.396 3.640 0 40 DHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Nc2cccc(C)c2C)cc1 12554859 GSXGSACQXJDKTF-CQSZACIVSA-N 310.397 3.945 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)SCc2cccc(F)c2F)no1 12569147 BCINIQBAQFSYEB-SECBINFHSA-N 312.341 3.522 0 40 DHAB COC(=O)c1ccc(NC(=O)c2cc(C)c(C)s2)c(C)c1 13012849 GILFDTCLQHBELA-UHFFFAOYSA-N 303.383 3.712 0 40 DHAB O=C(CSc1ccccc1)NC12CC3CC(CC(C3)C1)C2 15318435 VNVLSUBRMZOHED-UHFFFAOYSA-N 301.455 3.864 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5[nH]ncc5C[C@@]43C)[C@@H]1CC[C@@H]2O 15321140 GZCJWTCFQKPYQN-SIFAYJNMSA-N 314.473 3.728 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736479 AJULWDWAAUAJSU-NSHDSACASA-N 304.777 3.637 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1C 20045305 ZEAKTUADEHLZSN-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB O=C(CCc1ncc(-c2ccccc2)o1)NC(C1CC1)C1CC1 22503491 RESOWFBHHPZJQZ-UHFFFAOYSA-N 310.397 3.579 0 40 DHAB Cc1cc2cc(C)c(SCCN3CCOCC3)nc2cc1C 26440387 CNGJTCHERVZNMJ-UHFFFAOYSA-N 316.470 3.584 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)c1cn[nH]c1-c1ccccc1 29001320 TXHHWSKDLWBUHD-HNNXBMFYSA-N 319.408 3.828 0 40 DHAB Cc1cccc(Cn2nccc2NC(=O)/C=C/c2ccsc2)c1 30527252 JWXFTUDQVZIIEM-AATRIKPKSA-N 323.421 3.953 0 40 DHAB CC(C)OCCCNC(=O)N(C)Cc1ccc2ccccc2c1 36396084 KQULKEGUDLROMA-UHFFFAOYSA-N 314.429 3.796 0 40 DHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(F)cc1 38754976 CBABDTVJEQZYDF-QGZVFWFLSA-N 315.388 3.916 0 40 DHAB Cc1ccc(C(C)C)c(OCCN2C(=O)C(=O)c3ccccc32)c1 39842022 ANCRIMZAVBUAJY-UHFFFAOYSA-N 323.392 3.727 0 40 DHAB CCCCNC(=O)NCc1cccnc1Oc1cccc(F)c1 40119856 LUVHBUBJRPBXBC-UHFFFAOYSA-N 317.364 3.612 0 40 DHAB CSCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 40151923 GZBLWUJUKDYFCT-OAHLLOKOSA-N 314.410 3.629 0 40 DHAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2cccc(F)c2)C1 40284049 OIBCCDGGMLBAJZ-CQSZACIVSA-N 308.316 3.530 0 40 DHAB CCc1cc(=O)n2c3ccccc3n(Cc3ccccc3C)c2n1 40484643 HTQSTRGWWWLUIS-UHFFFAOYSA-N 317.392 3.568 0 40 DHAB C[C@@H](Nc1ccc(NC(=O)c2cnn(C)c2)cc1)c1ccccc1 50005602 MCFVJPCMLLIYCL-CQSZACIVSA-N 320.396 3.846 0 40 DHAB CCCn1cc(NC(=O)c2cccc3c(C)c(C)[nH]c23)ccc1=O 57144268 HXTSOHNHYRKZRA-UHFFFAOYSA-N 323.396 3.609 0 40 DHAB O=C(Nc1ccccc1SC1CCCC1)c1cccc[n+]1[O-] 58103825 ZBIPHKONNUFMDG-UHFFFAOYSA-N 314.410 3.607 0 40 DHAB Cc1cccc(OCCNC(=O)CCSc2ccccc2)c1 60612474 YESQAWIYRRRDSI-UHFFFAOYSA-N 315.438 3.672 0 40 DHAB Cc1cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)n[nH]1 69561706 LOMSHHKSDQHXQW-UHFFFAOYSA-N 319.324 3.622 0 40 DHAB CSc1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 71761301 CWHZAVONGZRBPJ-UHFFFAOYSA-N 318.423 3.946 0 40 DHAB O=C(Nc1ncccc1O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 73407346 XINAGVMBRPGMPT-QWRGUYRKSA-N 322.286 3.548 0 40 DHAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc2ccccc2c1 76057848 BOUPWRCEYDKMBK-FOIQADDNSA-N 322.452 3.576 0 40 DHAB CSc1ncccc1C(=O)N1CCC(c2cccs2)CC1 77103366 YCUCSLKMKGJUHF-UHFFFAOYSA-N 318.467 3.885 0 40 DHAB Cc1noc(Cl)c1CC(=O)NCc1oc2ccccc2c1C 79361880 ZDCARSSLZMCIEJ-UHFFFAOYSA-N 318.760 3.550 0 40 DHAB O=C(C=C(C1CC1)C1CC1)OCc1cncc(Br)c1 84338580 VBJZQRCSWYUUCT-UHFFFAOYSA-N 322.202 3.634 0 40 DHAB COc1ccc(-c2ccc3c(Cl)nccc3n2)cc1OC 95097399 YLKJZHQKGZBUIC-UHFFFAOYSA-N 300.745 3.967 0 40 DHAB Cc1ccc([C@H](O)CN[C@@H](c2ccccc2)c2ccccn2)cc1 95405109 AVBKAYDJQCFQQT-RTWAWAEBSA-N 318.420 3.803 0 40 DHAB CC(=O)c1cccc(OS(=O)(=O)C2CCC(C)(C)CC2)c1 95432006 PPNHSLOBJFTUPE-UHFFFAOYSA-N 310.415 3.567 0 40 DHAB CN(C)c1ccccc1COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 95458444 BYVNJGQKMDIVQO-IRXDYDNUSA-N 313.372 3.739 0 40 DHAB CS[C@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)C(C)(C)C 96010708 OMLJKUTYOBNJOY-CQSZACIVSA-N 308.422 3.815 0 40 DHAB c1sc([C@@H]2C[C@@H]3CCN(CC4CC4)C[C@H]3O2)nc1C1CC1 96070695 NGOCNTWOTYVHMW-CWRNSKLLSA-N 304.459 3.582 0 40 DHAB C[C@@H](c1ccco1)N(C)C(=O)Nc1cnn(-c2ccccc2)c1 96422003 XOUQYVHIHYSCEV-ZDUSSCGKSA-N 310.357 3.690 0 40 DHAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)n2ccnc2)o1 96433286 PPBJXTHUINBKFI-FMKPAKJESA-N 315.417 3.599 0 40 DHAB CCN(C(=O)N1CCC(OCc2ccccc2F)CC1)C(C)C 97377836 XECQNBJKKMPFHD-UHFFFAOYSA-N 322.424 3.657 0 40 DHAB Cc1csc(-c2cccc(OC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)c2)n1 107050105 VUNWQDDYSIFIBU-RBSFLKMASA-N 315.394 3.591 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 113954818 WRMMKKLGHXNWQL-QBPKDAKJSA-N 301.430 3.684 0 40 DHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)s1 222813928 SHGAWPDJKNDGGW-GJZGRUSLSA-N 317.483 3.832 0 40 DHAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2cccs2)cc1C 223493140 XYWZOXSNANKIFR-CYBMUJFWSA-N 309.456 3.713 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccco1)c1ccc(Cl)s1 225700141 VYZCFMLUXJXISU-ZPMKCOPCSA-N 311.790 3.512 0 40 DHAB CCCCNC(=O)CCc1nc(-c2cccc3ccccc23)no1 225826922 DJBYAMPALUAVEK-UHFFFAOYSA-N 323.396 3.739 0 40 DHAB Cc1cccc2cc(C(=O)NCCC3=CCCCC3)c(=O)oc12 226034148 XDNMFXCUCUSZRH-UHFFFAOYSA-N 311.381 3.722 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1cccc2ccccc12 226211692 ATEILRMMIZTFGE-KNCCTNLNSA-N 303.361 3.541 0 40 DHAB CCc1ccc(C(=O)Nc2c(Cl)cc(N)cc2OC)cc1 227146330 PFAVVCIQXAEVGS-UHFFFAOYSA-N 304.777 3.746 0 40 DHAB CCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccccc1 515571358 HHLHNOPEWXIDLW-UHFFFAOYSA-N 322.364 3.628 0 40 DHAB CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13 402995 HSIBGVUMFOSJPD-CFDPKNGZSA-N 310.441 3.937 0 40 DHAB COC(=O)c1cccc(NC(=O)CSc2ccccc2)c1C 563852 QYDWCKUUGKNFBD-UHFFFAOYSA-N 315.394 3.512 0 40 DHAB Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2cc1Cl 2240899 DITCHXSBVQFUCR-UHFFFAOYSA-N 305.805 3.987 0 40 DHAB biogenic O=c1c(-c2ccccc2)c[nH]n1-c1cccc(C(F)(F)F)c1 3133797 FBTJYTULYPXLMT-UHFFFAOYSA-N 304.271 3.851 0 40 DHAB O=C(COC(=O)c1ccccc1)Nc1ccccc1C(F)(F)F 3398837 ZIACCSWQOZIMII-UHFFFAOYSA-N 323.270 3.501 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CNc1ccc(F)cc1C 3411950 HPVZYRQVCFSVQG-UHFFFAOYSA-N 322.767 3.847 0 40 DHAB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCCC1 3491086 FRAVPKGKOUNVSD-MRXNPFEDSA-N 324.424 3.688 0 40 DHAB COc1ccc([C@@H]2CN=N[C@]23CCc2ccccc2C3=O)cc1 5069225 VVWPJJSGAWNBNT-PKOBYXMFSA-N 306.365 3.813 0 40 DHAB CN(C)c1ccc(SC(=S)NCc2ccccc2)cc1 5549651 KFBGWQWBGZVEKE-UHFFFAOYSA-N 302.468 3.919 0 40 DHAB Cc1cc(O)ccc1NC(=O)c1ccc(Br)cc1 5697831 UAUSVDRLIMZOPL-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB COc1ccc2oc(C(=O)Nc3cccc(C(C)=O)c3)cc2c1 6297820 JXHREKGBTHOBEL-UHFFFAOYSA-N 309.321 3.896 0 40 DHAB CC(C)(C)Cc1nnc(NC(=O)CCc2ccccc2)s1 6667676 VBDRDBIMDGRFTG-UHFFFAOYSA-N 303.431 3.698 0 40 DHAB Cc1cc(C)cc(OCCOC(=O)Cc2c[nH]c3ccccc23)c1 7091179 KRSQNQKMIKVLRK-UHFFFAOYSA-N 323.392 3.949 0 40 DHAB CC(C)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 7209753 HRIWUCKCITURQI-SECBINFHSA-N 308.472 3.858 0 40 DHAB COc1ccc(NC(=S)NCCSCc2ccco2)cc1 7582896 BERZGJBKBRRDEX-UHFFFAOYSA-N 322.455 3.508 0 40 DHAB CC(=O)c1sc(N)c(C(=O)Nc2ccc(Cl)cc2)c1C 8536137 DRROSHJKNSVYEB-UHFFFAOYSA-N 308.790 3.747 0 40 DHAB COc1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 8728926 SPRSEZAGUYUOEQ-UHFFFAOYSA-N 322.364 3.922 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2n1 8728972 FRPYZNUNFYUMIF-UHFFFAOYSA-N 320.348 3.648 0 40 DHAB COc1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)c1 9322232 PROIGGYYAJXZPG-UHFFFAOYSA-N 314.366 3.974 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)NCCCN1CCCCCC1 10111092 SPRVBKAEYCDSPR-DHZHZOJOSA-N 320.864 3.736 0 40 DHAB COc1ccc2cc(C(=O)NOCc3ccccc3)ccc2c1 10319039 FFTXCKQRAAGVKD-UHFFFAOYSA-N 307.349 3.710 0 40 DHAB COc1ccccc1-c1nc(CSc2nc(C)n[nH]2)cs1 11701751 XEMDJWULNBCOBQ-UHFFFAOYSA-N 318.427 3.538 0 40 DHAB c1ccc2c(c1)N[C@@H](c1cccc3cccnc13)N1CCCN=C21 12144189 BVEKBIFVUXRGMC-HXUWFJFHSA-N 314.392 3.811 0 40 DHAB O=C(Nc1ccccc1)[C@H]1CCCN1Cc1cccc(F)c1F 12813366 WZNDQVBLLIQLRB-MRXNPFEDSA-N 316.351 3.568 0 40 DHAB O=C(c1ccc(Cl)cc1)N1CCO[C@H](c2ccccc2)C1 13011667 IYGFAANHOAXYFN-INIZCTEOSA-N 301.773 3.554 0 40 DHAB C[C@H]1C[C@H](C)CN(Cc2nc(-c3cccc(Cl)c3)no2)C1 16335342 RKTAVHHFLGLJFQ-RYUDHWBXSA-N 305.809 3.868 0 40 DHAB CCn1ncc(CN2CCCCC[C@@H]2c2cc(C)on2)c1C 19523956 OEZWWMATZITGOW-QGZVFWFLSA-N 302.422 3.625 0 40 DHAB CCOc1ccccc1NC(=S)NCCSC(C)(C)C 34262874 ZBSBZOGDDKDXQM-UHFFFAOYSA-N 312.504 3.903 0 40 DHAB C[C@H](CNC(=O)c1ccccc1Cl)N(C)c1ccccc1 36390594 PSOBAINPEKCPIV-CYBMUJFWSA-N 302.805 3.595 0 40 DHAB CC(C)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)o1 36682838 HCWSBSQAANSQQN-UHFFFAOYSA-N 300.145 3.638 0 40 DHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(F)cc1 38754975 CBABDTVJEQZYDF-KRWDZBQOSA-N 315.388 3.916 0 40 DHAB CCN(c1ccc(NC(=O)CCc2cscn2)cc1)C(C)C 58159055 DDYRFCVOSNKGGF-UHFFFAOYSA-N 317.458 3.949 0 40 DHAB Cc1noc(C)c1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 58323602 KZRRZMAWNPECCQ-UHFFFAOYSA-N 322.324 3.680 0 40 DHAB O=C1NCCCC[C@@H]1Sc1nc(-c2ccccc2)cs1 58366692 LXSWLJASPOTWAJ-ZDUSSCGKSA-N 304.440 3.571 0 40 DHAB Cc1cc(-c2nc3sc(C(=O)O)c(C)n3c2C)ccc1F 62493487 NMVODWQGUQBJLC-UHFFFAOYSA-N 304.346 3.825 0 40 DHAB COc1ccc(-c2nc(-c3cccc(Cl)c3)n[nH]2)cc1OC 62718891 WLBUSGUTMVYJDX-UHFFFAOYSA-N 315.760 3.809 0 40 DHAB CCc1noc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 64580054 VPJBFQBVYHGQGU-UHFFFAOYSA-N 311.316 3.690 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)CSc1ccccc1 65720556 SEBRADLZOKDFGV-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB O=C(Nc1cccc(C(F)F)c1)c1ccc(N2CCCC2)nc1 69657345 VRPSUHQRWQMQGB-UHFFFAOYSA-N 317.339 3.872 0 40 DHAB Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc2ccnn12 72165208 ULHGDSCIFQOYIC-KRWDZBQOSA-N 305.381 3.620 0 40 DHAB CCOCc1cccc(N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 79030452 ACGPVOMQDYGDQV-ZDUSSCGKSA-N 323.396 3.633 0 40 DHAB Cc1ccsc1C(=O)N(C)Cc1nc2c(s1)CCCC2 83010842 BFMYMHXCAGGVPM-UHFFFAOYSA-N 306.456 3.664 0 40 DHAB O=C(CCCc1ccccn1)Nc1ccc(-c2ccccc2)nn1 84562694 STWUHZIIWMNTRW-UHFFFAOYSA-N 318.380 3.500 0 40 DHAB CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CCc2ccccc2C1 84622402 ZNACLXOVMHQUSC-OAHLLOKOSA-N 317.864 3.844 0 40 DHAB Cc1nc(Cl)ccc1COC(=O)c1ccc(OC(C)C)nc1 89536935 BYSCIDMQIPVXPF-UHFFFAOYSA-N 320.776 3.583 0 40 DHAB CC[C@H](NC1CCN(Cc2ccccc2)CC1)c1ccncc1 95423138 MWNBNBQKNRXTND-FQEVSTJZSA-N 309.457 3.787 0 40 DHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C(C)C)C1CCC1 96418778 SJSLMZCHOZXGRB-UHFFFAOYSA-N 320.458 3.808 0 40 DHAB CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2 101164087 MNJNPLVXBISNSX-BTTYYORXSA-N 314.212 3.775 0 40 DHAB in-man CSc1ccc(CN2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 103717702 LUWOIMACUYDCNE-LMMKCTJWSA-N 316.514 3.715 0 40 DHAB CC1(C)CCCC(C)(C)N1C[C@H](O)COC[C@H]1C[C@H]2CC[C@H]1C2 106219680 CDWNVYOEAWOXCA-FJIDUMEYSA-N 323.521 3.843 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 107343270 NYMYVMDNKKTICZ-GASQSECBSA-N 310.825 3.510 0 40 DHAB CCc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1OC 113971320 XRHQPZFTSYQIJM-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB O=C(OCc1cnc(-c2ccco2)o1)c1scnc1C1CC1 126043997 CIXBRYIVAUKSFU-UHFFFAOYSA-N 316.338 3.626 0 40 DHAB O=C(Nc1ccc(OC2CCCC2)nc1)c1ccncc1Cl 174281851 YBJLFOVHNHJBDP-UHFFFAOYSA-N 317.776 3.704 0 40 DHAB Nc1nnc(-c2cccc(OCc3ccc(Cl)cc3)c2)o1 216800840 CUTGVJYKWSFVDI-UHFFFAOYSA-N 301.733 3.551 0 40 DHAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCCCC1 216866569 PJBVNZQSRHHTFG-UHFFFAOYSA-N 309.413 3.820 0 40 DHAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccccc3C)c2c1 225754225 RPHPKFYSGKCXTC-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB NC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 226332806 PQOHQTXTIMBUHI-JLHYYAGUSA-N 303.361 3.917 0 40 DHAB CC(C)CCC(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 227164688 SDCUVECULOEMSZ-UHFFFAOYSA-N 303.406 3.735 0 40 DHAB O=C(NCc1ccnc(-c2ccco2)c1)c1c(F)cccc1F 238921665 UAELCIYSZMJXIT-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB Cc1cc([C@@H]2c3ccccc3CCCN2[C@H]2CCOC2)ccn1 248104088 OPOOVEDFDNTLAZ-AZUAARDMSA-N 308.425 3.517 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 364797 CWLINTWAQYPVBU-GOSISDBHSA-N 309.409 3.876 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 471598 JUNHKRAFRZZKIX-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1F 530133 SXNMXUCLAKUXAZ-UHFFFAOYSA-N 320.323 3.578 0 40 DHAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2)c1 570035 HEISHYRASLBIDO-UHFFFAOYSA-N 312.369 3.686 0 40 DHAB CC1(C)CC(=O)c2sc3nc(C(F)(F)F)nc(O)c3c2C1 1273333 FAPSCDWNMMHREQ-UHFFFAOYSA-N 316.304 3.571 0 40 DHAB COc1ccccc1C(=O)Nc1ccc(-c2noc(C)n2)cc1C 1428889 LUBDMHIAMMBGIC-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCCN(CCNc1cc(OC)cc2cccnc12)C(C)C 1656139 UKYCPYRUGLSQNA-UHFFFAOYSA-N 301.434 3.776 0 40 DHAB Cc1ccc2[nH]c(SCC(=O)NC3CCCCCC3)nc2c1 2226912 CFDDBWZJBUVQPC-UHFFFAOYSA-N 317.458 3.802 0 40 DHAB O=C(Nc1ccc(Cl)cc1F)c1cc2ccccc2oc1=O 2772897 VYMUZNDJGUIJLS-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 3196025 FNPVFOCEIIRAID-LBPRGKRZSA-N 317.772 3.832 0 40 DHAB Cc1ccc(SCCC(=O)NCCc2ccc(F)cc2)cc1 3231107 OUTGJLDQNVXQCE-UHFFFAOYSA-N 317.429 3.975 0 40 DHAB O=Cc1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 4201582 QMWGIXQYAVUTGG-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 4783129 PWVLZAWWMIOCEB-BAUWWDCUSA-N 317.473 3.726 0 40 DHAB in-vitro COc1ccc(Cl)cc1NC(=O)COc1cc(C)cc(C)c1 5292639 FGNUTDQVOUOCRK-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB O=C(CSc1ccc2ccccc2n1)N1CCc2ccccc21 5627395 VMJHDSAIVDOLHN-UHFFFAOYSA-N 320.417 3.916 0 40 DHAB Cc1oc2c(C)c(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 5955541 INFPCDUSXYSBCJ-UHFFFAOYSA-N 324.332 3.554 0 40 DHAB biogenic O=C(Nc1ccc(CN2CCCC2)cc1)C(Cl)(Cl)Cl 5996860 AVROCAHFDIYXCO-UHFFFAOYSA-N 321.635 3.591 0 40 DHAB O=C(COc1ccccc1Cl)Nc1nc2c(s1)CCCC2 6342622 PNSBFVZCWOPIRS-UHFFFAOYSA-N 322.817 3.693 0 40 DHAB CCn1c(SCCOc2ccccc2)nnc1-c1ccco1 6356662 TTXUTKALPSNVFR-UHFFFAOYSA-N 315.398 3.729 0 40 DHAB CCCN1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O 6654752 ANUQBDLUMBPWMR-GQLYJEGOSA-N 303.383 3.698 0 40 DHAB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)O)cc1 8371816 QIMVDTQCJFKGBU-GIJQJNRQSA-N 303.745 3.862 0 40 DHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccnc2Cl)cc1 9141883 ZJTOCRCFPKXCJF-UHFFFAOYSA-N 317.776 3.582 0 40 DHAB O=C(NCCCOCC1CC1)c1ccccc1Nc1ccccc1 12738018 RCPHOOJTVCZKPK-UHFFFAOYSA-N 324.424 3.977 0 40 DHAB COc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 12979838 IGSUQBGGXMXJTQ-UHFFFAOYSA-N 321.376 3.657 0 40 DHAB O=C(Nc1cnccn1)Nc1cc(C(F)(F)F)ccc1Cl 13320493 VPIWINXCXGSUCT-UHFFFAOYSA-N 316.670 3.793 0 40 DHAB CC(C)=C[C@@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 13374352 VNADFOGBKXRWGC-FCONWMNKSA-N 314.381 3.835 0 40 DHAB biogenic,in-vivo Cc1cc2c(nc1C)sc1c(=O)n(CCC(C)C)cnc12 13720192 CDNNAXIJLPFDKD-UHFFFAOYSA-N 301.415 3.669 0 40 DHAB C1=CC[C@H](CN(CCCn2ccnc2)Cc2ccncc2)CC1 13991184 GDXZNXRJJUYZGU-SFHVURJKSA-N 310.445 3.527 0 40 DHAB COc1cc(C(=O)NCc2ccc(OC(F)F)cc2)ccc1C 14253679 RNDUDMCHHITEHE-UHFFFAOYSA-N 321.323 3.535 0 40 DHAB COc1ccc2c(CC(=O)N[C@@H]3CCc4ccccc43)coc2c1 16471986 PPJMPVPFZFJCNI-GOSISDBHSA-N 321.376 3.788 0 40 DHAB Cc1ccc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 20104684 XVRLGXSBMHLTOO-UHFFFAOYSA-N 317.454 3.741 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 22088255 NMHJEMULVWDAJX-RYUDHWBXSA-N 306.456 3.810 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)o1 23686705 MXFDNCUEIJFLKR-UHFFFAOYSA-N 320.186 3.944 0 40 DHAB CCn1cnnc1SCc1csc(Nc2ccccc2)n1 25678603 KZKZTSROHDBLTF-UHFFFAOYSA-N 317.443 3.790 0 40 DHAB COc1ccc(CNC(=O)N[C@@H](C)c2cc(C)sc2C)cc1 31662766 OOXYPJRJLXJIRL-LBPRGKRZSA-N 318.442 3.934 0 40 DHAB CN(C)c1ncccc1C(=O)Oc1cccc(Cl)c1Cl 31675873 CLQHRJOFCCRXQS-UHFFFAOYSA-N 311.168 3.674 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)N(C)CCOc1cccc(Cl)c1 32863327 ATTBTYYOSHUGCQ-CZUORRHYSA-N 324.852 3.939 0 40 DHAB CN(C)c1ccc(CCNC(=O)Nc2ccccc2Cl)cc1 38585593 RXDRXRJSLHPHTC-UHFFFAOYSA-N 317.820 3.770 0 40 DHAB C#C[C@@]1(O)C=C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@]21CC 43574003 SIGSPDASOTUPFS-XHCJJCCMSA-N 310.437 3.659 0 40 DHAB CCN(C(C)=O)c1nc(-c2nc3ccccc3n2CC)cs1 44974010 YRUMMFMHUZPBFX-UHFFFAOYSA-N 314.414 3.553 0 40 DHAB CN(C)[C@@H](CNC(=O)CCC1CCCCC1)c1ccsc1 45443910 KDRLIQSTRYJIKD-INIZCTEOSA-N 308.491 3.828 0 40 DHAB Cc1ccccc1CNC(=O)Nc1ccn(Cc2ccccc2)n1 48341457 ZTIAOGRRPHBKFC-UHFFFAOYSA-N 320.396 3.562 0 40 DHAB COc1ccccc1CC(=O)N1CCCCC[C@@H]1c1ccncc1 49765748 CESFZNSLSSIUQM-GOSISDBHSA-N 324.424 3.777 0 40 DHAB Cc1nn(C)c(C)c1CCC(=O)N(C)c1cccc2ccccc12 56225462 NXITYAIWWZKNTI-UHFFFAOYSA-N 321.424 3.786 0 40 DHAB CCCCC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 58111062 IDQMEQXCMLZHOC-UHFFFAOYSA-N 321.424 3.891 0 40 DHAB O=C(OC1CCCCC1)c1nn(-c2ccccc2)c2c1CCC2 58378591 XCXZORLGCBYBFE-UHFFFAOYSA-N 310.397 3.851 0 40 DHAB C[C@H](Sc1nccn1C1CC1)C(=O)c1cc(F)ccc1F 69600533 RYGZNBBHJOIPRH-VIFPVBQESA-N 308.353 3.860 0 40 DHAB COc1ccc(CC(=O)NCc2cccc3ccccc23)cc1 74376535 MCXMLQRUPNAETK-UHFFFAOYSA-N 305.377 3.707 0 40 DHAB Fc1ccccc1NCc1cn2cc(Br)ccc2n1 75093228 JACVXWNTGZXPST-UHFFFAOYSA-N 320.165 3.848 0 40 DHAB COC[C@@H](C)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 76070717 PEYCLENAMINRKV-GFCCVEGCSA-N 317.389 3.621 0 40 DHAB COc1ccc(C)c2c(Nc3cccc(C(=O)O)c3)ccnc12 78401536 NCDXEWVSSHTJLA-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB CC(C)C[C@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1 79104759 PZZDEJOAAYWWGM-OAHLLOKOSA-N 304.434 3.767 0 40 DHAB CC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)c1 79331138 DVDUARNORKRFKA-SFHVURJKSA-N 324.380 3.964 0 40 DHAB C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(-c2cccnc2)cc1 81018053 OUDCNALDOGUFNN-HNAYVOBHSA-N 324.424 3.885 0 40 DHAB C[C@@H]1CCC[C@H](N2CCC(N[C@@H]3CCCCC[C@@H]3CO)CC2)C1 90390746 SVLKZJVEULNRGK-IZBJGVDFSA-N 322.537 3.560 0 40 DHAB CCCOc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C 95095418 KBOMOUWNUBDYLU-CQSZACIVSA-N 301.390 3.567 0 40 DHAB CN(C)C[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 95396811 FBIQGFFGJXSQOW-INIZCTEOSA-N 324.424 3.503 0 40 DHAB COc1cc(OC)c([C@H](C)NCCc2ccccn2)cc1Cl 95419164 IOEGCWWQINLBEV-LBPRGKRZSA-N 320.820 3.646 0 40 DHAB CCc1sc([C@@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1C 95440052 OYGPIQPSILSWJL-QWHCGFSZSA-N 309.475 3.859 0 40 DHAB CCN1CCC2(CC1)C[C@H](NCc1ccncc1)c1ccccc12 96090456 RZPKUFLFLMNXFY-FQEVSTJZSA-N 321.468 3.670 0 40 DHAB COc1ccccc1[C@H](CNC(=O)Nc1cccc(C)c1)OC 96385309 WMKFXJILPZFOAF-KRWDZBQOSA-N 314.385 3.513 0 40 DHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCn2ccnc2)o1 96433200 UQSKYLBHNJUIFC-ZBFHGGJFSA-N 315.417 3.565 0 40 DHAB C[C@@H](C(=O)N(Cc1ccccn1)c1ccncc1)c1ccccc1 97100921 OKTLOGAPQMDXFM-MRXNPFEDSA-N 317.392 3.814 0 40 DHAB O=C(NC12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)c1cccnc1 97238669 IYHXOZMXOJXWFO-RJAIZQQDSA-N 324.346 3.713 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 100537921 DBXPNVANMQOOSH-QQXRRDQMSA-N 310.180 3.529 0 40 DHAB O=C(CCc1ccc(F)cc1)NCCCc1ccc(F)cc1 165644535 BRBQIVNUGCDHSY-UHFFFAOYSA-N 303.352 3.646 0 40 DHAB O=C(Cc1cccc(Cl)c1)NCCSc1ccccc1 223959434 QZKBWGOCZOWRHG-UHFFFAOYSA-N 305.830 3.791 0 40 DHAB Cc1cnc(NC(=S)NCCCc2ccccc2)c(Cl)c1 223961243 AZMLAJMPANQVPC-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1cccs1 225122664 KDBFIUKEQQJMSI-UHFFFAOYSA-N 301.820 3.617 0 40 DHAB CCOC(=O)c1ccc(Nc2cc(Cl)ccc2OC)c(N)c1 225434401 OLANZWTUYMQFDJ-UHFFFAOYSA-N 320.776 3.851 0 40 DHAB CC1CCN(CCOc2ccc(NC(=O)C(C)(C)C)cc2)CC1 225592114 UUNDHQBOTMWVJN-UHFFFAOYSA-N 318.461 3.782 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)NC2CCCCC2)cc1C 225758336 VDCWIYRLRYFCTI-OAHLLOKOSA-N 304.434 3.703 0 40 DHAB CC(C)C(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226352009 KQBWSMDPQUDWFL-UHFFFAOYSA-N 307.733 3.893 0 40 DHAB Cc1cn(C)c([C@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)n1 257220300 DKHXYHFKDQLUGA-AWEZNQCLSA-N 323.362 3.737 0 40 DHAB CCN(C(=O)c1cccc(C(=O)O)c1)[C@H](C)Cc1ccsc1 263133498 XXSRDOYGZHZNOL-GFCCVEGCSA-N 317.410 3.540 0 40 DHAB Nc1nc(Br)cnc1-c1cccc(Cl)c1Cl 675082858 RDEXSHZJPXAHTO-UHFFFAOYSA-N 318.989 3.795 0 40 DHAB CCOC(=O)N1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc13 1569999066 GNZVOMHQLAKDAV-SZVBFZGTSA-N 315.413 3.607 0 40 DHAB C[C@H]1CN(C(=S)Nc2cccc(C(F)(F)F)c2)C[C@H](C)O1 79443 BYHXGPOWQFEEGT-UWVGGRQHSA-N 318.364 3.511 0 40 DHAB CCc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 175124 SOUFEGUOIOLNCN-UHFFFAOYSA-N 302.186 3.660 0 40 DHAB O=C(c1ccc(O)cc1)c1ccc(C(=O)c2ccc(O)cc2)cc1 332365 ADUODNZKKNUWBZ-UHFFFAOYSA-N 318.328 3.560 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCCC2)c1 569757 AXFXXLYQCCXXCG-UHFFFAOYSA-N 324.424 3.921 0 40 DHAB Cc1c(C)n(C[C@H](O)CN[C@H](C)c2ccccc2)c2ccccc12 811133 RJMNRFYYYWPFQK-VQIMIIECSA-N 322.452 3.970 0 40 DHAB C[C@@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 3898789 MBMQEIFVQACCCH-QDBLGGKGSA-N 318.369 3.580 0 40 DHAB endogenous,in-man O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C(F)(F)F 4062973 FLENCJIIDIVCSJ-UHFFFAOYSA-N 323.299 3.859 0 40 DHAB N=c1oc2ccc(Br)cc2cc1-c1ccccn1 4869096 CVCZNIWHLGAKEH-UHFFFAOYSA-N 301.143 3.737 0 40 DHAB CCN(C(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 4871527 RBUYKPDKUMMESO-UHFFFAOYSA-N 309.409 3.788 0 40 DHAB O=C(COc1ccc(Oc2ccccc2)cc1)NC1CCCC1 5292907 MIEQVDLZVQMYPA-UHFFFAOYSA-N 311.381 3.917 0 40 DHAB c1ccc(NNN2N[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 5846784 UEVZHRAFNXLDOE-VQTJNVASSA-N 316.408 3.821 0 40 DHAB O=c1[nH]c(/C=C/c2ccccc2OC(F)F)nc2ccccc12 6909207 LIHGMBGJCVMIKH-MDZDMXLPSA-N 314.291 3.695 0 40 DHAB C[C@H]1C[C@H](Sc2nc3ccccc3n2-c2ccccc2)C(=O)O1 8135340 QFUITNJESBWXPH-LRDDRELGSA-N 324.405 3.822 0 40 DHAB Cn1ncc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc21 9532056 VOLWFHVBNPXYLW-UHFFFAOYSA-N 317.352 3.899 0 40 DHAB COC(=O)c1cccc(COC(=O)c2ccc(Cl)s2)c1 9638404 RVSYLZLAEIQQQZ-UHFFFAOYSA-N 310.758 3.545 0 40 DHAB COc1ccc(SCCCC(=O)NCc2ccccc2)cc1 10218022 UQBSHIPOLOTVFA-UHFFFAOYSA-N 315.438 3.884 0 40 DHAB CCn1/c(=N\C(=O)c2ccccc2F)sc2ccccc21 12180880 PVWNXQXLYXBALF-FBMGVBCBSA-N 300.358 3.603 0 40 DHAB C[C@@H](NCc1cccc(C(F)(F)F)c1)c1nnc2ccccn12 12803309 RUDHIKDQGCUTJC-LLVKDONJSA-N 320.318 3.599 0 40 DHAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12813974 COHUATLWCLXFNR-KRWDZBQOSA-N 323.392 3.825 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1 16705214 DZNROYBQXXAZOC-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB Cc1ccc(-c2cc3[nH]c(Cc4ccccc4)cc(=O)n3n2)cc1 18179262 IQDCQVYGRQJJJN-UHFFFAOYSA-N 315.376 3.589 0 40 DHAB CCCc1nnc(SCc2nnc(-c3cccc(C)c3)o2)o1 20033886 BWVMGTQEKMBNFD-UHFFFAOYSA-N 316.386 3.673 0 40 DHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1 20107634 WYELWOPPKXIBSR-INIZCTEOSA-N 303.789 3.814 0 40 DHAB Cc1c(C(=O)N2CCCCCC2)cnn1-c1cccc(Cl)c1 24478244 BGIKSAXJZSAKMC-UHFFFAOYSA-N 317.820 3.850 0 40 DHAB C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCCC1 25418796 IAMYJZLYBHNNIY-MRXNPFEDSA-N 308.425 3.700 0 40 DHAB CC(C)N(CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1 25820409 WFMUCBBWOXIGFD-UHFFFAOYSA-N 318.367 3.814 0 40 DHAB CSc1ccc(Cl)c(C(=O)Nc2c(C)nn(C)c2C)c1 28229777 AHPVJQLDYNYERZ-UHFFFAOYSA-N 309.822 3.665 0 40 DHAB CSc1cccc(NC(=O)c2cccc(C[S@](C)=O)c2)c1 32865814 WXVZIGXBBDUOQS-OAQYLSRUSA-N 319.451 3.539 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@H](SCCO)c2ccccc2)c1 33045867 XTCFHVKBPMZOGR-QGZVFWFLSA-N 315.438 3.709 0 40 DHAB CCC[C@H](CC(=O)O)c1cc(Br)ccc1OC 36178856 OUFKCUDWVWMBHK-SECBINFHSA-N 301.180 3.816 0 40 DHAB COCCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 36613205 PXCOSBVNKFLQIZ-UHFFFAOYSA-N 311.307 3.529 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2onc(C)c12 36614070 KIDBBJOICNQHCI-UHFFFAOYSA-N 321.380 3.741 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@H]2COc3ccccc3C2)c(C)c1 39998430 QMRNCIPAMZPZSJ-GOSISDBHSA-N 309.409 3.513 0 40 DHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)Cc1ccco1 40159920 NPCAOVVNZLWKDB-LBPRGKRZSA-N 307.777 3.667 0 40 DHAB Cc1noc([C@@H](C)S(=O)(=O)c2cc(C(C)(C)C)ccc2C)n1 44946960 OVKUQUHAFJHXNB-LLVKDONJSA-N 322.430 3.519 0 40 DHAB COC(=O)Cc1ccccc1-c1nc2ccc(F)cc2s1 45923272 JHXDXUDRBLNBJO-UHFFFAOYSA-N 301.342 3.818 0 40 DHAB CCc1c(C(=O)NCc2cccc(Cl)c2)[nH]c(C)c1C(C)=O 48209517 KHTPXNJKROZWBI-UHFFFAOYSA-N 318.804 3.672 0 40 DHAB Cc1nnc(SCCOc2ccccc2)n1-c1ccccc1 49582794 GXRRRDDQJFUGKH-UHFFFAOYSA-N 311.410 3.747 0 40 DHAB CC(C)CC[C@@]1(CCN2CCOCC2)CCO[C@@H](C(C)C)C1 49762650 WJJUOFFEYGAKBZ-RTBURBONSA-N 311.510 3.966 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)CCc1c(C)noc1C 52567651 BCQRMPOTIRXAID-HNNXBMFYSA-N 318.442 3.822 0 40 DHAB c1cc(CNc2ncnc3sccc23)cc(Cn2cccn2)c1 54837002 RTVQDJLTUYUCKQ-UHFFFAOYSA-N 321.409 3.548 0 40 DHAB COc1cc(CN(C)C(=O)N[C@@H](C)C(C)C)ccc1SC 58229166 YEJYTXNRGMIBGX-LBPRGKRZSA-N 310.463 3.603 0 40 DHAB C[C@@H]1CCCCN1[C@H](C)CNC(=O)Nc1ccccc1Cl 58520798 ABHNPODXJCZBLA-CHWSQXEVSA-N 309.841 3.724 0 40 DHAB Cc1[nH]c2ccccc2c1CSc1nnnn1-c1ccccc1 59417497 ULAZPHSAPHCEMG-UHFFFAOYSA-N 321.409 3.744 0 40 DHAB CCOCCC(=O)Nc1ccccc1CN(C)C1CCCCC1 62640009 APZNVAFVAGFNPD-UHFFFAOYSA-N 318.461 3.816 0 40 DHAB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)Nc2ccccc2)C1 64461514 CYAZDZCKJXCXFN-UXLLHSPISA-N 301.434 3.556 0 40 DHAB COc1ccc(Cl)c2c(OCC(=O)OC(C)C)cc(C)nc12 64874727 RMWUPCIMFWITKU-UHFFFAOYSA-N 323.776 3.536 0 40 DHAB CC[C@@H]1C[C@@H]1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 71908197 SGJXELGYECNKNN-RISCZKNCSA-N 318.804 3.842 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1N1CCCC1 72215980 TVMYWRZUKDUKQM-HNNXBMFYSA-N 317.433 3.754 0 40 DHAB CC(C)c1nc([C@@H]2CCCN(c3cnc4ccccc4n3)C2)no1 72279263 LCVOGLCBDIVTBW-CYBMUJFWSA-N 323.400 3.520 0 40 DHAB Cc1ccc(CO)cc1NC(=O)Nc1cccc2cccnc12 72305904 RPTBSQJXNGRYKA-UHFFFAOYSA-N 307.353 3.680 0 40 DHAB COc1ccccc1-c1cccc(CC2CCN(C(C)=O)CC2)n1 72360723 PJHHWSJUOUGAPT-UHFFFAOYSA-N 324.424 3.558 0 40 DHAB C[C@H](Sc1nnc(C2CC2)s1)C(=O)Nc1ccccc1 74795311 CYXLVDNERVHZAJ-VIFPVBQESA-N 305.428 3.535 0 40 DHAB COc1cccc(F)c1[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccco1 76088692 DKESAMLEJHRKHH-NEPJUHHUSA-N 320.364 3.891 0 40 DHAB O=C(NCc1ccccn1)Nc1cc(-c2ccco2)ccc1F 84610066 TXKQFHYMORRSHG-UHFFFAOYSA-N 311.316 3.802 0 40 DHAB CC(C)[C@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 89530412 ZMBHAEVZEHAXOQ-MRXNPFEDSA-N 302.418 3.664 0 40 DHAB Cc1cccc(C(NC(=O)C2CCOCC2)c2cccc(C)c2)c1 89669180 ZRUGCSXYDHCCBY-UHFFFAOYSA-N 323.436 3.936 0 40 DHAB CC(C)(C)CC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21 96156946 WPKJWJUZVQNOTA-UHFFFAOYSA-N 320.864 3.744 0 40 DHAB Cc1ccc(SC2(CNC(=O)[C@H]3CCOC3)CCCC2)cc1 97012506 JTKJSYWHEXGBFR-HNNXBMFYSA-N 319.470 3.553 0 40 DHAB O=C1[C@@H](Sc2nncc3ccccc23)CCN1c1ccccc1 97141653 LKHXSCFGTUZEJU-INIZCTEOSA-N 321.405 3.527 0 40 DHAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccc2cc[nH]c12 98020535 JWRFFGFASPOASK-OAHLLOKOSA-N 312.413 3.780 0 40 DHAB Cc1ccc(S(=O)(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 101004703 LTMJUKDTJBCEMN-WMLDXEAASA-N 307.459 3.584 0 40 DHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccccc1 101291495 CYRZTMVTPZWDAG-BVGQSLNGSA-N 323.392 3.850 0 40 DHAB Cc1cc(Cl)ncc1NC(=O)c1cc(-c2ccccc2)[nH]n1 135867340 OMRBYKRYNKDWNB-UHFFFAOYSA-N 312.760 3.686 0 40 DHAB Cc1noc(C)c1C(=O)N1CCS[C@@H](c2cccs2)CC1 219507757 SMWRVHQIURHREZ-CYBMUJFWSA-N 322.455 3.673 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(OC)cc1 222859356 FIKBPUDJKAFWAE-GOSISDBHSA-N 313.397 3.511 0 40 DHAB CCOc1ccc(C(=O)NCc2cccnc2-c2ccco2)cc1 225659797 QHMCLGOIMKETSL-UHFFFAOYSA-N 322.364 3.670 0 40 DHAB O=C(Nc1cccc(F)c1)c1snnc1-c1cccs1 225788049 AXJOJAPISQNJSI-UHFFFAOYSA-N 305.359 3.658 0 40 DHAB O=C1CC[C@H](O)[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 257257967 KRVASIHAWQYHEM-FUHWJXTLSA-N 315.800 3.565 0 40 DHAB CCc1nc(N)c2c(n1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O 408712670 GFESTPVLHSGRTL-CYBMUJFWSA-N 323.440 3.831 0 40 DHAB CCOC(=O)[C@H]1C(=N)c2cc(OC)ccc2[C@@H]1Cc1ccccc1 524735315 RHSZUNZXRSUSGK-FUHWJXTLSA-N 323.392 3.582 0 40 DHAB COC(=O)CCCCC(=O)c1cccc(C(F)(F)F)c1C 575361375 ZIEDOBRWJXTLHK-UHFFFAOYSA-N 302.292 3.930 0 40 DHAB C[C@H](CC(=O)Nc1c[nH]nc1C1CC1)Cc1cccc(F)c1 585127256 VIXRQWOHWOAZHB-NSHDSACASA-N 301.365 3.634 0 40 DHAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1cccs1 585146693 CVPGPUPDBKYZKT-NSHDSACASA-N 303.408 3.965 0 40 DHAB O=C(NCc1cc(C2CC2)ncn1)c1cc(Cl)cc(Cl)c1 585360728 QBZPGNYJMVGADI-UHFFFAOYSA-N 322.195 3.591 0 40 DHAB COc1cc(C(=O)NC(C)(C)CC(C)(C)C)cc(OC)c1OC 74904 CKCOXXLEAZHIAC-UHFFFAOYSA-N 323.433 3.657 0 40 DHAB CN(C1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1 155296 BFGHGFVWGCHZQR-UHFFFAOYSA-N 303.427 3.793 0 40 DHAB COc1ccccc1NC(=O)c1c2c(nc3ccccc13)CCC2 264479 AMPOHGLMFXETLB-UHFFFAOYSA-N 318.376 3.984 0 40 DHAB Cc1cc(SCC(=O)NC2CCCC2)nc2ccccc12 417925 BWBMGTRLLWTXGB-UHFFFAOYSA-N 300.427 3.694 0 40 DHAB CC(C)(NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 550062 SFQMTARSDVFNNS-UHFFFAOYSA-N 313.788 3.881 0 40 DHAB CCCCN1CCC(COC(=O)c2cccc3cc[nH]c23)CC1 1886912 NQMDYRXSHPAJKM-UHFFFAOYSA-N 314.429 3.837 0 40 DHAB CN(C)c1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1 2621832 BAZFNQAKBRHIRL-UHFFFAOYSA-N 323.348 3.539 0 40 DHAB CSc1ccccc1C(=O)Nc1nnc(CC(C)C)s1 2624799 RWRGJPUPZYTBFK-UHFFFAOYSA-N 307.444 3.711 0 40 DHAB CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(CC)c3n2)cn1 2732354 QKXJKHFKVQKRJF-UHFFFAOYSA-N 323.322 3.662 0 40 DHAB CCN(CC)CCCNC(=O)c1ccc(-c2ccccc2)cc1 2795863 VCNQOEOESSSEOA-UHFFFAOYSA-N 310.441 3.815 0 40 DHAB COc1ccc(Cl)cc1NC(=O)COc1ccc(C)cc1C 4699016 MDPNRRKUUJGRRJ-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB CCCOc1ccc(/C=C2\SC(=O)N(CCC)C2=O)cc1 6323873 FNEIVNCVHWEUFI-KAMYIIQDSA-N 305.399 3.922 0 40 DHAB COc1cc2c(cc1[C@@H](C)c1ccc(OC(C)=O)cc1)OCO2 6437387 XUNWJVZDBRUJDH-NSHDSACASA-N 314.337 3.501 0 40 DHAB COc1ccc(CNC(=O)Cc2coc3cc(C)cc(C)c23)cc1 6809790 RXSJWWJQIGYLHQ-UHFFFAOYSA-N 323.392 3.917 0 40 DHAB O=c1c2cc(Cl)ccc2nc(-c2ccc(Cl)cc2)n1O 6883677 AOFZHKXJYADZEA-UHFFFAOYSA-N 307.136 3.608 0 40 DHAB CC(C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 8559110 TWUKGXGCLCMKHD-UHFFFAOYSA-N 307.353 3.998 0 40 DHAB O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1Cl 8708745 XXKDGMXXIUQDQH-SNVBAGLBSA-N 320.742 3.553 0 40 DHAB C[C@H](CCc1ccco1)NC(=O)c1ccccc1Br 9500896 XBBKZMJIYVSVSW-LLVKDONJSA-N 322.202 3.793 0 40 DHAB CCOC(=O)c1sc(Nc2ccccc2OCC)nc1C 12394350 FHICHAZTZXYUNL-UHFFFAOYSA-N 306.387 3.771 0 40 DHAB CCNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 12848307 YONQVFDOWCQAFJ-UHFFFAOYSA-N 314.332 3.887 0 40 DHAB c1ccc(CNc2nnc(CCOc3ccccc3)s2)cc1 12863175 YROWWQXBUHRKGX-UHFFFAOYSA-N 311.410 3.772 0 40 DHAB Cc1cc(F)ccc1S(=O)(=O)N(C)[C@@H](C)c1ccccc1 12882990 XZEXLCPOBYAGGN-ZDUSSCGKSA-N 307.390 3.516 0 40 DHAB O=c1ccc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2o1 12970778 YRQNHHNNLMKXHC-UHFFFAOYSA-N 307.227 3.999 0 40 DHAB Cc1cc(C)cc(NC(=O)CCCNC(=O)c2ccsc2)c1 12998212 BSOWUXMJNJKXMO-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1cccc2c1CCCC2 13466631 LBIBFRGXMQNACO-QGZVFWFLSA-N 323.392 3.762 0 40 DHAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 13669191 ZYYDCDULBPKYDX-GFCCVEGCSA-N 303.333 3.630 0 40 DHAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccccc2)c1 13795887 UYGJZWQVHWTADB-GFCCVEGCSA-N 314.410 3.521 0 40 DHAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 14009252 VZXDFVCMNKJHGD-UHFFFAOYSA-N 316.788 3.731 0 40 DHAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 14398574 IFKGBVFGTXFJEC-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB O=C1C[C@H](c2cccnc2)c2sc(Nc3ccccc3)nc2N1 15110075 LXIHFKYRIBYCPQ-CYBMUJFWSA-N 322.393 3.756 0 40 DHAB CCc1nc2ccccc2n1C[C@H](O)COc1cccc(C)c1C 15860731 BINQCUMCRPUQFK-INIZCTEOSA-N 324.424 3.655 0 40 DHAB CC[C@H]1CCc2sc(C(=O)N[C@@H](C)[C@@H]3CCCO3)cc2C1 16605535 SZSDGYOOFLKRNZ-OBJOEFQTSA-N 307.459 3.560 0 40 DHAB O=C(Nc1cccc(Br)c1)c1ccnc(Cl)c1 19813482 BLXXLCWYPOMTHV-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB O=C(O)c1cc(NC(=O)c2ccccc2Cl)ccc1Cl 20137759 LVFQGJKDNKJYLA-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cn1 22411787 NGUHQMJJFRLOQH-LLVKDONJSA-N 308.303 3.900 0 40 DHAB Cc1nc(-c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)no1 24054560 UBBIWKCNSWXWNP-UHFFFAOYSA-N 322.246 3.646 0 40 DHAB Cc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)c(C)c1 25443461 RUILGCSVWDQWRJ-UHFFFAOYSA-N 302.462 3.688 0 40 DHAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc2cn[nH]c12 25585032 NUHORIFDRQLETB-UHFFFAOYSA-N 323.396 3.878 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCC2)cc1 27793174 DORSJNADSFCFJJ-LJQANCHMSA-N 308.425 3.562 0 40 DHAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N(C)C)cc1 30009387 DWLRZAIBRMRWJK-GFCCVEGCSA-N 317.820 3.845 0 40 DHAB CO[C@@](Nc1ccccn1)(C(=O)c1ccccc1)c1ccccc1 31772278 IAQPNUKRXSJVPX-HXUWFJFHSA-N 318.376 3.876 0 40 DHAB COc1cccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1 32070154 LUJNIRXPCXNRTF-UHFFFAOYSA-N 320.392 3.981 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)sc1C 32731870 WXFKOVWOZHJJEB-NSHDSACASA-N 317.410 3.627 0 40 DHAB CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21 33359101 MAQRNFMOCRQXAB-UHFFFAOYSA-N 313.195 3.532 0 40 DHAB C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(S)nnc4c23)C1 35312168 VHUSWHWLUROSPD-SSDOTTSWSA-N 316.455 3.630 0 40 DHAB CC(C)n1cccc1C(=O)Nc1cc(Cl)ccc1C(=O)O 36856078 UXQIZHLVVGMBSL-UHFFFAOYSA-N 306.749 3.673 0 40 DHAB in-vitro CCc1ccc([C@@H](C)NC(=O)c2cc(-c3cccnc3)on2)cc1 40130311 YXFIHSQNHIRMDS-CYBMUJFWSA-N 321.380 3.790 0 40 DHAB OCCCc1nc2cc(Cl)ccc2n1Cc1ccccc1 40417830 CMSATGHUCFBHGW-UHFFFAOYSA-N 300.789 3.663 0 40 DHAB Cc1noc(C)c1C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 45509670 VYQKWHHMEFFVIM-QGZVFWFLSA-N 310.397 3.974 0 40 DHAB Cc1noc(C)c1CN1CCO[C@H](c2ccc(Cl)cc2)C1 52248144 JASTZBTWLZYCLK-INIZCTEOSA-N 306.793 3.518 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2NC1CCCCCCC1 54172780 YIEMRGCHQSRBRA-KRWDZBQOSA-N 319.401 3.575 0 40 DHAB CCN1C(=O)C(C)(C)c2cc(NC(=O)c3cccs3)ccc21 57280423 ZNRXKMYVIJSTRO-UHFFFAOYSA-N 314.410 3.645 0 40 DHAB O=C(COc1ccc(Cl)cc1)N1CCCc2ccc(F)cc21 59017373 LNBGLYYAXNTMOV-UHFFFAOYSA-N 319.763 3.837 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)N(CC)[C@H](C)C(C)C)c1 65360736 VIEKDIPPKXYLPX-CYBMUJFWSA-N 305.422 3.933 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC2CC2)nc1 72213775 HRZDQWLEYXZRTR-CQSZACIVSA-N 303.406 3.728 0 40 DHAB CCc1csc([C@H]2CCCN(C(=O)c3occc3C)C2)n1 72282155 RCDOLHZIQAPNFJ-LBPRGKRZSA-N 304.415 3.627 0 40 DHAB O=C(/C=C/SCc1ccco1)NCc1ccccc1Cl 75109528 NIJUHJBXHGXZOL-VQHVLOKHSA-N 307.802 3.996 0 40 DHAB Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)cn1 75127267 HIXMTXGPSDODCD-AWEZNQCLSA-N 308.303 3.766 0 40 DHAB C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(-c2cccnc2)cc1 81018051 OUDCNALDOGUFNN-BEFAXECRSA-N 324.424 3.885 0 40 DHAB C[C@H](CC(=O)OCc1ccc(-n2cccn2)cc1)c1ccncc1 84636951 YANQCWCTACVDJE-OAHLLOKOSA-N 321.380 3.504 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)OCc2nc(C(C)(C)C)no2)C1(C)C 84671200 RSEWSAMISPPMLN-DGCLKSJQSA-N 306.406 3.649 0 40 DHAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1C[C@@H](C)C[C@H](C)C1 85432456 GNXKVWAKDKEQPL-NVGCLXPQSA-N 300.402 3.580 0 40 DHAB CCO/C=C1\C(=O)N(c2cc(C)cc(C)c2)C(=O)c2ccccc21 96343700 YUCQKGVLFCBYLE-PDGQHHTCSA-N 321.376 3.868 0 40 DHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(Oc2cccnc2)c(F)c1 96422438 FVPQTRHDRYPKQQ-SLEUVZQESA-N 314.360 3.846 0 40 DHAB CCOc1cccc([C@H](C)NC(=O)Nc2ccncc2F)c1 97135532 RLDPPEATEXXGFE-NSHDSACASA-N 303.337 3.502 0 40 DHAB CSC1(CNC2CC(c3ccc(F)cc3)C2)CCOCC1 97371148 UGHBILSRFILNDG-UHFFFAOYSA-N 309.450 3.574 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nn1-c1ccccc1 107134708 HOUAGHYITOSSBT-NBOOPKSLSA-N 323.440 3.735 0 40 DHAB C[C@H]1C[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 108854226 HMTMJPKOYIKJIV-SXMVTHIZSA-N 316.184 3.520 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)NC1CCCCCCC1 198913800 TZXFVSVXOPVFPN-UHFFFAOYSA-N 303.402 3.577 0 40 DHAB CCOc1ccccc1CNC(=O)c1ccccc1OC(C)C 219741575 CBTHWPDXXJXGRB-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)nc1 225907934 XGEMZORLJXXOEJ-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB COc1cccc(OC)c1CCC(=O)NCCC1=CCCCC1 225993699 YMBRNMZMSANDOJ-UHFFFAOYSA-N 317.429 3.643 0 40 DHAB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 564649426 QRGAEWUNXZTFLB-YRGRVCCFSA-N 317.385 3.547 0 40 DHAB Cc1cccc(-c2cccc(CO[C@H]3CCOC3)c2)c1C(=O)O 568533458 STZDBXUOFPYTTC-INIZCTEOSA-N 312.365 3.666 0 40 DHAB Cc1oncc1C(=O)N[C@H](C)Cc1csc2ccccc12 575621828 VGJGKKFUETZLLN-SNVBAGLBSA-N 300.383 3.559 0 40 DHAB O=C(O)c1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1F 579259636 YXSOIECNLFYPPU-GFCCVEGCSA-N 316.328 3.606 0 40 DHAB Cc1ccc(Nc2ncnc(C3CCOCC3)c2F)c(C)c1 1888856576 YONFHGHFLBIBQK-UHFFFAOYSA-N 301.365 3.870 0 40 DHAB COc1ccc2nc(NC(=O)Oc3ccccc3)sc2c1 144535 CVBDOCQXYLTRHB-UHFFFAOYSA-N 300.339 3.916 0 40 DHAB O=C(CSCc1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 454386 SVRBVAGZOMOUJS-YWPYICTPSA-N 309.862 3.878 0 40 DHAB Cc1c(Cl)cccc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O 499959 JQAQHDAWEYPENH-CQSZACIVSA-N 313.784 3.771 0 40 DHAB CC(C)(C)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 510748 BRBUOVYCXZNHOT-UHFFFAOYSA-N 309.409 3.952 0 40 DHAB CCOc1cccc(C(=O)Nc2ccc(CN3CCCC3)cc2)c1 514874 YJYGLGGGLUXIHQ-UHFFFAOYSA-N 324.424 3.933 0 40 DHAB O=C(CSc1ccc(Cl)cc1)NCCc1ccccc1 2543671 NCCZLEPHKLKOJV-UHFFFAOYSA-N 305.830 3.791 0 40 DHAB CC(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 3198638 FPWRZWQGZWETSM-UHFFFAOYSA-N 302.399 3.896 0 40 DHAB COc1ccc(C)cc1C(=O)[C@H]1C[C@@H](C(=O)O)C(C)(C)[C@@H]1C 4197578 KRNMUMVLRVSPQF-DYEKYZERSA-N 304.386 3.569 0 40 DHAB Cc1cc(C)c(C)c(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)c1 4346945 OVTQEYBWPTYCTQ-JZXOWHBKSA-N 305.462 3.614 0 40 DHAB Cc1cc(C)cc(NC(=O)CCN2CCc3ccccc3C2)c1 4744700 YHFOPPVJYAHVRA-UHFFFAOYSA-N 308.425 3.690 0 40 DHAB Cc1csc(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1 4938671 LOYXADWSGFUSCJ-UHFFFAOYSA-N 323.468 3.659 0 40 DHAB Cc1ccc(S(=O)(=O)[C@@]23N=NC(C)(C)[C@H]2[C@H]2CC[C@@H]3C2)cc1 5766447 IPYMFJUSQDLQNW-TZDHZFECSA-N 318.442 3.756 0 40 DHAB FC(F)(F)c1ccccc1-n1c(S)nnc1-c1ccncc1 5927285 BCDWBJGZUVTRGB-UHFFFAOYSA-N 322.315 3.637 0 40 DHAB Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)o1 6207652 UEGZEFPMQMRYBU-UHFFFAOYSA-N 305.403 3.541 0 40 DHAB Cc1nnc(SCc2cc(=O)oc3cc(C)c(C)cc23)s1 7192862 IECWTROTTZEGQK-UHFFFAOYSA-N 318.423 3.862 0 40 DHAB C[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(Cl)cc1 7829485 ZQLDCZHVBZAQFU-LLVKDONJSA-N 321.829 3.926 0 40 DHAB c1cnn(Cc2ccc(CNc3ncnc4sccc34)cc2)c1 8324645 ZUUAULCKJRUCOC-UHFFFAOYSA-N 321.409 3.548 0 40 DHAB COCCNCc1cccc(OCc2ccc(Cl)cc2)c1 8469223 ASWGJVVKUGYAGU-UHFFFAOYSA-N 305.805 3.655 0 40 DHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CCC1 9465788 DLMQOHDYNWQSKX-UHFFFAOYSA-N 309.291 3.630 0 40 DHAB COc1ccc(OCCC(=O)Nc2cccc3ncccc23)cc1 9478669 OECODSRZXMTNBQ-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 10110348 FVDWFMLWPUYADL-AWEZNQCLSA-N 317.816 3.856 0 40 DHAB Fc1ccccc1-c1nn2c(CCc3ccccc3)nnc2s1 10311865 MXFGTXCYMFLWJN-UHFFFAOYSA-N 324.384 3.777 0 40 DHAB Cc1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1C 12852242 LSQJMZNRXGUBKG-UHFFFAOYSA-N 315.442 3.596 0 40 DHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C(=O)O 12937301 QIJNAFFFOOGYRF-GFCCVEGCSA-N 315.394 3.813 0 40 DHAB Cc1nc2ccc(C(=O)N3CCc4sccc4C3)cc2nc1C 13003065 MAXRXMDUBCZMRA-UHFFFAOYSA-N 323.421 3.507 0 40 DHAB Cc1ccccc1-c1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 13322581 DWKWOUORGYJLMO-KBPBESRZSA-N 302.443 3.728 0 40 DHAB O=c1c2[nH]cc(-c3ccccc3)c2ncn1CCc1ccccc1 15829502 IAFXNCMEOICPDL-UHFFFAOYSA-N 315.376 3.634 0 40 DHAB CC(C)c1cc(C(=O)N2CCCCC2)c2cnn(C(C)C)c2n1 21897358 ZPYQTKXTXNVPDF-UHFFFAOYSA-N 314.433 3.762 0 40 DHAB Cc1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1C 22236228 DXVSONAPHNCBSD-UHFFFAOYSA-N 324.355 3.547 0 40 DHAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C 22863754 UYXFEZBYKGIZJI-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc2c(c1)CCC2 31819697 LOYJOXSXYYSZCV-UHFFFAOYSA-N 318.376 3.786 0 40 DHAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cccs3)[nH]n2)cc1 32878995 LZKMUGZHHHKVEP-GFCCVEGCSA-N 311.410 3.938 0 40 DHAB O=C(O)Cc1csc(Nc2cc(Cl)ccc2Cl)n1 33507648 XKMQWSCEOOTUFS-UHFFFAOYSA-N 303.170 3.821 0 40 DHAB C[C@@H](CNC(=O)c1ccccc1Cl)N(C)c1ccccc1 36390593 PSOBAINPEKCPIV-ZDUSSCGKSA-N 302.805 3.595 0 40 DHAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ccccc2)C1 38567178 NGYPAEXMFPNOIA-AWEZNQCLSA-N 315.800 3.978 0 40 DHAB CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2C)cc1 41793780 CEGSXJGDKJTFGA-JLHYYAGUSA-N 322.408 3.625 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 48202304 UEULLXIQJRDNCD-UHFFFAOYSA-N 319.364 3.759 0 40 DHAB C[C@@H](c1ccncc1)N(C)C(=O)c1cc(-c2ccccc2)no1 58367614 ORQBVXHUKAVWJQ-ZDUSSCGKSA-N 307.353 3.570 0 40 DHAB CCCn1ccc2cc(NC(=O)c3cn4ccccc4n3)ccc21 58433703 MBHKGEFRNGMMLC-UHFFFAOYSA-N 318.380 3.951 0 40 DHAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)NCc1ccccn1 65607523 BPIQBNFJNDWZRK-HNNXBMFYSA-N 309.413 3.764 0 40 DHAB O=C(O)CCC[C@H](O)/C=C/C=C\CCCCCCCCCO 65740408 RPFAXJQGBOULPA-CQLUAUNVSA-N 312.450 3.828 0 40 DHAB in-vitro Cc1cnn([C@H]2CCCN(C(=O)c3sccc3C3CC3)C2)c1 69415577 QTRSXVXFEXXHHI-AWEZNQCLSA-N 315.442 3.608 0 40 DHAB CCN(C(=O)Cc1cn2ccsc2n1)c1ccc(C)cc1C 75445003 SALRLWWEYIKQEF-UHFFFAOYSA-N 313.426 3.608 0 40 DHAB C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 78966628 VTEJOMZVGODZSE-AWEZNQCLSA-N 310.441 3.934 0 40 DHAB COCCn1ccc2c(C(=O)NC3CCCCCC3)cccc21 79473537 QFDRFSMYDBBYEI-UHFFFAOYSA-N 314.429 3.740 0 40 DHAB CC(C)c1ocnc1CSc1nccn1Cc1ccccn1 92263937 LJBSVENUOIOQKR-UHFFFAOYSA-N 314.414 3.730 0 40 DHAB CCc1cnc(CSCc2ccc(C(=O)OC)c(F)c2)o1 95414562 IEHHZAZZODGNQW-UHFFFAOYSA-N 309.362 3.596 0 40 DHAB Cc1noc(C)c1[C@H](C)CC(=O)N1CCc2cccc(F)c21 95436258 VPEMQGCVTINKMI-SNVBAGLBSA-N 302.349 3.513 0 40 DHAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1[nH]nc2c1CCCC2 95957413 DPXAWIWJMTUELF-AWEZNQCLSA-N 323.440 3.729 0 40 DHAB C[C@H]1OCC[C@H]1C(=O)N(c1cccc2cccnc12)C1CCC1 95983284 OYHFCSFEJARONG-CZUORRHYSA-N 310.397 3.545 0 40 DHAB CCN(C(=O)c1cnc(-c2ccccc2)nc1)c1nc(C)cs1 96416476 YHJLUQXFUWUFJZ-UHFFFAOYSA-N 324.409 3.575 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)cc1C 96659198 GLQSNYHQIYREJT-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB C[C@@H](N[C@@H]1CCCn2ncnc21)c1cc2cc(Cl)ccc2o1 97034639 VWBQIEWXRWTJRA-ZWNOBZJWSA-N 316.792 3.863 0 40 DHAB c1cnn(-c2ccc(CN3CCC[C@H]3c3ccncc3)cc2)c1 97109561 NMTYGWVWRDMNRL-IBGZPJMESA-N 304.397 3.604 0 40 DHAB Cc1ccc(NC(=O)[C@]23CC[C@@](C)([C@H](O)C2)C3(C)C)cc1C 100961971 NBKTZKPRHJRMLH-MNEFBYGVSA-N 301.430 3.819 0 40 DHAB FC(F)(F)c1ccnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 185505323 DWTXRYIDNOPGMX-QWHCGFSZSA-N 323.318 3.828 0 40 DHAB COc1ccc(-c2ccncc2)cc1CNc1cccc(CO)c1 191945940 JBCMBYCIYTZOTN-UHFFFAOYSA-N 320.392 3.862 0 40 DHAB NC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 216815003 SHRUYKODYQRNFV-UHFFFAOYSA-N 314.143 3.810 0 40 DHAB COc1cccc(CCCNC(=S)Nc2ccccc2F)c1 225553041 HQSWQAVMOGSIMI-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB CCOc1nn(C)c2ccc(NC(=O)c3ccc(C)s3)cc12 227166666 QMGXQGKWWIJKRM-UHFFFAOYSA-N 315.398 3.594 0 40 DHAB Cc1oncc1CNC(=O)c1ccc(Oc2ccccc2)cc1 575609610 YYYHWWZKUVGDFY-UHFFFAOYSA-N 308.337 3.705 0 40 DHAB FC(F)c1nnc2ccc(N3CCCC[C@H]3CC3CCC3)nn12 585099543 SOLOCTKXQVSRFE-LBPRGKRZSA-N 321.375 3.611 0 40 DHAB CC(C)c1cc(N2C[C@H](C)O[C@H](C)C2)nc2c(O)cccc12 685938587 WUOASZHNGDJSBY-BETUJISGSA-N 300.402 3.677 0 40 DHAB Nc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1 124082 HVPDAHDCOOJUMW-UHFFFAOYSA-N 307.140 3.688 0 40 DHAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)OC(=O)C2 207155 KYWVTUZLEGHSQS-IBGZPJMESA-N 312.365 3.673 0 40 DHAB biogenic COc1ccc(-c2c[n+](CCc3ccccc3)c3n2CCC3)cc1 544220 FGYIOWBHKWJERN-UHFFFAOYSA-N 319.428 3.640 0 40 DHAB OC(Cc1ccccc1)(Cc1ccccc1)[C@H]1CN2CCC1CC2 1258251 KUXOALQEVYJOAF-NRFANRHFSA-N 321.464 3.545 0 40 DHAB O=C1CS[C@@H](c2ccccc2)C(=O)N1c1ccc(Cl)cc1 1400563 PBKBLAONALFJIB-HNNXBMFYSA-N 317.797 3.688 0 40 DHAB C[C@@H](CCN(C)C)OC(=O)c1ccc([C@H](C)c2ccccc2)o1 1817505 UQKRKNYMJLVFPM-LSDHHAIUSA-N 315.413 3.928 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1Cl 1972438 DPYSPAHOVYQEEW-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB O=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 3196897 UABXYLZCYFPJFH-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB c1cncc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1 4511781 FYSYJLOHUHUDKI-UHFFFAOYSA-N 319.349 3.661 0 40 DHAB CCc1c(C)sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1C(=O)OC 4646428 QSTBODVXYSWBJW-LOWVWBTDSA-N 321.442 3.780 0 40 DHAB CN1CCC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C 5029549 BSKUDKXKAISNDJ-HKUYMTLNSA-N 301.474 3.914 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)o2)C1=O 5175776 CLEGIRLZJZFOGR-BVRAVYJCSA-N 322.430 3.961 0 40 DHAB C[C@@H]1CCCCN1Cc1csc(-c2ccc3c(c2)OCO3)n1 6007627 YMZSVKVMWNOVCN-GFCCVEGCSA-N 316.426 3.913 0 40 DHAB CCCCn1nc(C)c(C(=O)N2CCc3ccccc32)c1Cl 6849872 QJXOAAMRFQPBSK-UHFFFAOYSA-N 317.820 3.848 0 40 DHAB O=C(N[C@@H]1CCOc2ccccc21)C12CC3CC(CC(C3)C1)C2 7214760 IMVQXOTUWVVAGP-SJFHUFEGSA-N 311.425 3.843 0 40 DHAB Cc1ccc(CN(C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 7674424 MYZVPILQCCXMTC-HNNXBMFYSA-N 321.424 3.733 0 40 DHAB O=C(NCc1ccc(F)cc1)c1csc(-c2ccccc2)n1 8061240 NYWQXTNDWIVJJV-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB CCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2)o1 8339307 KDWYJVLSKFYCPA-UHFFFAOYSA-N 300.387 3.507 0 40 DHAB Cc1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)no1 8937892 ZJHPKFWGMYBROV-UHFFFAOYSA-N 317.345 3.582 0 40 DHAB Fc1ccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)cc1 9421591 GAOPOHSUDMCUOA-UHFFFAOYSA-N 308.316 3.537 0 40 DHAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 9691858 PEHUCPITWHFLNE-LBPRGKRZSA-N 317.772 3.949 0 40 DHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)NC1CCCCC1 10684209 ORTORUMDBKGXSA-ZDUSSCGKSA-N 317.433 3.669 0 40 DHAB Nc1nc(CSc2ncccc2Cl)nc2ccccc12 11034045 AIFGETFDCVFGBB-UHFFFAOYSA-N 302.790 3.553 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 12133116 OQUPCCDKMMSHIN-UHFFFAOYSA-N 314.772 3.501 0 40 DHAB CN(C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccsc1 13011262 MAPPXDKCJSKEDF-GOSISDBHSA-N 324.449 3.934 0 40 DHAB CCc1cccc2c(C(=O)C(=O)N3CCc4ccccc43)c[nH]c12 13843005 XYLFUVNIGIEIQP-UHFFFAOYSA-N 318.376 3.502 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1C 15357615 LRTVULVJUYKNOW-AWEZNQCLSA-N 301.361 3.526 0 40 DHAB Cc1csc([C@@H](Cc2ccsc2)NCc2cccnc2)n1 19240255 ZDCUGWSRZJUVEF-OAHLLOKOSA-N 315.467 3.982 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)Nc1cccc2nonc12 20535287 WSUWJJIMHUJBQR-UHFFFAOYSA-N 306.684 3.659 0 40 DHAB CC(C)CC[C@]1(CCNCCN(C)C)CCO[C@H](C(C)C)C1 20649290 SDZRWKJHFVQPCS-OALUTQOASA-N 312.542 3.785 0 40 DHAB CC[C@@H](C(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 27837204 SQUGVPLRLRZKIQ-FXAWDEMLSA-N 322.452 3.823 0 40 DHAB Cc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)no1 31658605 JFSBRURSDKKGHI-UHFFFAOYSA-N 320.392 3.774 0 40 DHAB O=C1CCc2cc(-c3csc(Nc4ccccn4)n3)ccc2N1 32899521 GTYYFJTYZIPEHW-UHFFFAOYSA-N 322.393 3.833 0 40 DHAB Clc1ccccc1CNc1ccccc1N1CCOCC1 35039338 ULDDCHYTDSVNJU-UHFFFAOYSA-N 302.805 3.789 0 40 DHAB COc1ccccc1C(=O)Nc1ccccc1-n1nc(C)cc1C 40090322 XAMZLKOYANDGRR-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB O=C1C(=O)N(Cc2ccccc2Cl)c2c(Cl)cccc21 42111360 FUPSJKIGDSYJEB-UHFFFAOYSA-N 306.148 3.723 0 40 DHAB O=c1ccc(-c2ccccc2F)nn1C/C=C/c1ccccc1 44917027 JRKRDBTUNNOKSZ-RMKNXTFCSA-N 306.340 3.763 0 40 DHAB COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OC 44928750 PNDCRAMTQYEPKM-YBEGLDIGSA-N 313.378 3.789 0 40 DHAB Cc1ccccc1CN1CC[C@H](c2nc3ccccc3n2C)C1 49171202 UQGBRXRRCBJETP-KRWDZBQOSA-N 305.425 3.871 0 40 DHAB biogenic,in-vitro O=C(CCCn1cccn1)N1CCC[C@H]1c1cccc(Cl)c1 51469197 UWXLIOMYOWGXII-INIZCTEOSA-N 317.820 3.680 0 40 DHAB O=C(NC1CCCCCCC1)c1cnc(-c2ccccc2)nc1 58414414 DISCGYRHILDVSC-UHFFFAOYSA-N 309.413 3.986 0 40 DHAB COc1ccc(OC)c(C(=O)Nc2cnc3ccccc3c2)c1 58441671 ABDNNGVIUKEVSY-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB Fc1cccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)c1 71889760 JUEAJUVVTKNJQA-UHFFFAOYSA-N 324.355 3.972 0 40 DHAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2)cn1)C1CC1 72215335 AOQUQDNUUBTKBP-OAHLLOKOSA-N 317.433 3.800 0 40 DHAB C1=CC[C@@H](CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)CC1 72395192 JGSZVWCSZFRMMG-NZSAHSFTSA-N 307.441 3.949 0 40 DHAB COc1ccc(-c2ccnc3nc(-c4cccs4)nn23)cc1 72451434 KDZAPQIKAXJRPY-UHFFFAOYSA-N 308.366 3.528 0 40 DHAB Nc1ccc(Cl)c(-c2nnc(-c3cc(N)ccc3Cl)o2)c1 73634546 RPTNSTAYUKTLGK-UHFFFAOYSA-N 321.167 3.875 0 40 DHAB Cc1ccc2nc(-c3cc(N)cc(Br)c3O)oc2c1 73634583 GONHWVBFALVNIV-UHFFFAOYSA-N 319.158 3.854 0 40 DHAB C[C@@H]1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1 78669575 WEDYEUSBVUJKRS-MRXNPFEDSA-N 323.440 3.638 0 40 DHAB CC[C@H](C)NC(=O)NC[C@@H](CC(C)C)N[C@@H](C)c1ccccc1 78822604 PRMXUEOOCRAFFI-XYJFISCASA-N 319.493 3.850 0 40 DHAB Cc1cc(C(N)=O)ccc1NCCOc1ccc2ccccc2c1 79159462 JYDCVUKGHYAZOF-UHFFFAOYSA-N 320.392 3.738 0 40 DHAB Fc1ccc2ncnc(N3CCc4c(F)ccc(F)c4C3)c2c1 84489149 ZBRWWRRLUUQMDM-UHFFFAOYSA-N 315.298 3.610 0 40 DHAB c1ccc2c(CN3CCCC[C@@H]3CN3CCOCC3)cccc2c1 84598427 DEKYQXPVZGGDOO-HXUWFJFHSA-N 324.468 3.527 0 40 DHAB COc1cc(F)ccc1NC(=O)c1ncoc1-c1cccs1 89426813 GUPNEIXYFFSVHE-UHFFFAOYSA-N 318.329 3.803 0 40 DHAB Fc1cccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)c1 89774846 CEBWAENNPFGPAS-GFCCVEGCSA-N 302.349 3.573 0 40 DHAB Oc1ccccc1SCc1nnc(-c2ccccc2F)o1 89821288 XVXIWMMFCICNQM-UHFFFAOYSA-N 302.330 3.874 0 40 DHAB CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1c(C)noc1C 90887426 FZUXCABVHGZIBJ-IINYFYTJSA-N 302.374 3.822 0 40 DHAB C[S@](=O)Cc1cccc(NCc2csc(C(C)(C)C)n2)c1 95429176 ZABMIBXSBKDEAT-OAQYLSRUSA-N 322.499 3.931 0 40 DHAB Cc1ocnc1CNC(=O)Nc1cccc(CSC(C)C)c1 95984809 PECZNFSSBHONMG-UHFFFAOYSA-N 319.430 3.946 0 40 DHAB CC(C)n1cnnc1SCc1ncc(Cl)cc1Cl 95990708 FASAAGYPVKGKSI-UHFFFAOYSA-N 303.218 3.853 0 40 DHAB Cc1noc(C)c1N(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12 96448297 BORQCNUMQNSUGT-UHFFFAOYSA-N 317.776 3.632 0 40 DHAB COCC1CCN(C(=O)c2ccc(-c3ccc(C)o3)s2)CC1 97081270 HYCRGDHTYAYJEC-UHFFFAOYSA-N 319.426 3.815 0 40 DHAB COc1cccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2Cc2cccnc2)c1 100112342 XAGFKPXRNZMYRL-HLIPFELVSA-N 324.424 3.522 0 40 DHAB COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)CCc2ccco2)cc1 106581126 DHMJNNWDQOBUAB-BVGQSLNGSA-N 313.397 3.529 0 40 DHAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@H](C)c1cccnc1 107048886 VVDFTDQEXFYOQX-TZMCWYRMSA-N 304.825 3.675 0 40 DHAB O=C(O)c1cnc(OCC(F)(F)F)c(C2CCCCC2)c1 145967216 FWXFKNMQSPQETB-UHFFFAOYSA-N 303.280 3.769 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]2CCCC[C@H]21 167106824 QRNACKXLZPQDKE-SWLSCSKDSA-N 313.850 3.683 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1Cl 206849149 UFPJCFBQYQTCMA-FLVLSHQESA-N 315.800 3.857 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 219484483 PPRFLIKOUSVANA-CQSZACIVSA-N 317.816 3.856 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSC1CCCC1 223298812 SNXAXAJGQGJLJG-KRWDZBQOSA-N 321.486 3.944 0 40 DHAB CSc1ccccc1C(=O)NCCOc1ccccc1Cl 223452749 HNNSQMKZWXXMES-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB COCCCNCc1cc(C)n(Cc2ccccc2C)c1C 223662449 MNPRWWAWYQBVJQ-UHFFFAOYSA-N 300.446 3.588 0 40 DHAB CCc1ccc(OCCNC(=O)CCc2ccc(C)cc2)cc1 224038595 DLJIHDQNOLUCKA-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB Cc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1 225452183 KKGMIYNGIQZDPI-UHFFFAOYSA-N 322.437 3.667 0 40 DHAB Cc1cccc(CNC(=O)Cc2cccc(Br)c2)c1 225617241 AFAKZUIDBNIJQF-UHFFFAOYSA-N 318.214 3.616 0 40 DHAB Cc1ccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)c(C)c1 225820410 VMQQSRKBNCLJBZ-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB CCCCOc1ncc(NC(=O)[C@](C)(CC)OCC)cc1C 225893288 MXRNXRMNTDYLLY-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CN1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 248084142 AXBXJEBMMWIAMQ-RTBURBONSA-N 312.482 3.596 0 40 DHAB CCCn1nccc1-c1cccc([C@H]2CCCN(C(C)C)C2)n1 257200874 AFEVSIWSGCWKTQ-INIZCTEOSA-N 312.461 3.943 0 40 DHAB COC(=O)CCc1ccc2c(c1)[C@H]1O[C@@H](C)CC[C@@H]1C(C)(C)O2 257294196 QSZZTFRYYARAGT-XLWVJDPXSA-N 318.413 3.819 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)s1 257311722 UKTKPHCGZHSVRP-HNNXBMFYSA-N 300.427 3.546 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nocc5C[C@@]43C)[C@@H]1CC[C@@H]2O 299817366 YYWMPTGXJBPRND-YNZDMMAESA-N 315.457 3.993 0 40 DHAB in-vitro Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1C 408714037 HCICSUMXYCQPST-UHFFFAOYSA-N 321.380 3.626 0 40 DHAB CCCCOCc1c(Br)cnn1CC(F)(F)F 408715657 CDSWXQJTULPXPW-UHFFFAOYSA-N 315.133 3.525 0 40 DHAB CC1(C)C[C@]2(C)C[C@H]1C[C@H]2OC(=O)c1ccccc1C(=O)O 2133115 ZSKLSZZSGZABIR-OMPKRAJASA-N 302.370 3.756 0 40 DHAB S=C(NCCCN1CCCCC1)Nc1ccc(Cl)cc1 2727761 SSGWOVOSFASACE-UHFFFAOYSA-N 311.882 3.502 0 40 DHAB O=c1c(-c2ccc(F)cc2)coc2c3c(ccc12)OCCCO3 3187081 OCDZUZPQDUWBLM-UHFFFAOYSA-N 312.296 3.760 0 40 DHAB Cc1ccc(SCC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 3499469 WYVVIULAYPGRIM-UHFFFAOYSA-N 315.394 3.763 0 40 DHAB COc1ccc([C@@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 4026999 RJYHUHMMBLCXKJ-AQQQZIQISA-N 302.414 3.594 0 40 DHAB biogenic C[S@@](=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 5377753 BQUZSLPVXJROTR-NRFANRHFSA-N 318.785 3.794 0 40 DHAB O=C1CSC2=NC(c3ccccc3)=C[C@H](c3ccccc3)N12 5604364 NXEFSEGOAGGXJX-MRXNPFEDSA-N 306.390 3.714 0 40 DHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc[nH]1 8278099 AURZFTYFLBWYKQ-UHFFFAOYSA-N 308.366 3.643 0 40 DHAB O=C(CN(C1=NCCCS1)c1ccccc1)c1ccccc1 8435933 YZAAEAWPAWLCJG-UHFFFAOYSA-N 310.422 3.869 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c(C)c1 8498611 BOQBJBBNHUSJLQ-INIZCTEOSA-N 309.409 3.656 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1 10641841 WPMFEWVMVKBCBN-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB Cc1nc2cc(NC(=O)CCC(=O)c3ccccc3)ccc2o1 13005666 UVLJTTBCVDATPJ-UHFFFAOYSA-N 308.337 3.738 0 40 DHAB COc1ccc(OC)c(NC(=S)Nc2cc(F)ccc2C)c1 13840399 YHBPGBCWQNYWTL-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CCCC(=O)Nc1cccc(NC(=O)c2cccnc2Cl)c1 14258445 HMOREQALEWTXTF-UHFFFAOYSA-N 317.776 3.726 0 40 DHAB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 14806811 KJSGAMITXFBSOT-JTQLQIEISA-N 320.172 3.644 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)Cc1ccccc1Cl 15966667 FYMFUCJYTACBME-LBPRGKRZSA-N 303.789 3.769 0 40 DHAB Cc1ccc(Cl)cc1-n1ncc2c(NC(C)C)ncnc21 17121525 PTLBJQDOSHHWDS-UHFFFAOYSA-N 301.781 3.598 0 40 DHAB CN(CCCNC(=O)c1ccccc1Cl)c1ccccc1 17826740 QAVPDEIHMWPJQL-UHFFFAOYSA-N 302.805 3.596 0 40 DHAB COc1ccccc1CCNC(=O)Nc1ccc(Cl)cc1 18180564 AFUMORCVIQBUAQ-UHFFFAOYSA-N 304.777 3.713 0 40 DHAB Cn1ccc([C@H]2CCCCCN2Cc2c(F)cccc2F)n1 19291049 DGFSKLCEHYYFAY-QGZVFWFLSA-N 305.372 3.816 0 40 DHAB Cc1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 20050822 SDPCEXAXMOYTFV-DHZHZOJOSA-N 317.392 3.510 0 40 DHAB CCOc1ccc(C(=O)NCC2(c3cccs3)CC2)cc1 22680204 XDEABUSVDJBPKT-UHFFFAOYSA-N 301.411 3.608 0 40 DHAB Cc1ccc(CN(C(=O)c2ccc(N(C)C)cc2)C2CC2)cc1 25292976 GEZHOJGJEONLOV-UHFFFAOYSA-N 308.425 3.866 0 40 DHAB C[C@H](NC(=O)COc1ccccc1)c1ccc(-n2cccc2)cc1 28303995 GIZMGSCINJVIOQ-INIZCTEOSA-N 320.392 3.734 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2cccc(N3CCCC3)c2)c1 30828945 RJQWLNFIVQRLQT-UHFFFAOYSA-N 324.424 3.921 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3sccc3C2)o1 32883752 DDMJDDLSYJAUHP-DOMZBBRYSA-N 315.438 3.982 0 40 DHAB Cc1ccc(C)c(OCCn2c([C@@H](C)O)nc3ccccc32)c1 40224857 MEDLDUJXJMJXRX-OAHLLOKOSA-N 310.397 3.785 0 40 DHAB Cc1ccc(C)c(OC2CCN(C(=O)CC(F)(F)F)CC2)c1 55709208 QBZVFMVVQCZKOF-UHFFFAOYSA-N 315.335 3.626 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 58264923 WEJGXHSGJWEHCX-ONGXEEELSA-N 308.353 3.767 0 40 DHAB CCc1ccc2nc(NC(=O)OCC(F)(F)F)sc2c1 68585035 CIWZFJTZZCLCMM-UHFFFAOYSA-N 304.293 3.970 0 40 DHAB in-vitro CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1c(C)noc1C 71853517 UHIZAIDJJZQELC-TVQRCGJNSA-N 322.355 3.941 0 40 DHAB CC(C)Cc1nnc([C@H](C)Sc2ncc3ccccn23)o1 71893922 SMJNUHSAYHDWMO-NSHDSACASA-N 302.403 3.769 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)NCc1ccc2ccccc2c1 75584043 LHDQOVDPYREPAP-UHFFFAOYSA-N 323.396 3.786 0 40 DHAB C[C@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 76988325 MUOOOORKZRJDPL-BEFAXECRSA-N 323.440 3.805 0 40 DHAB Cc1ccoc1C(=O)N(Cc1ccccc1)CC1CCOCC1 78879387 UMPDBUDGIFTVCW-UHFFFAOYSA-N 313.397 3.657 0 40 DHAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1Cl 78896925 NMPUDUNWAMLGKL-DCGLDWPTSA-N 320.864 3.638 0 40 DHAB C[C@@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1nccs1 78973570 IARABCGAMJUHLU-LLVKDONJSA-N 315.398 3.792 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 80344672 DSSMSQLNKGTJJP-JKSUJKDBSA-N 309.365 3.508 0 40 DHAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccccc1Cl 89895027 DQKOFKBKPIPTGW-BLLLJJGKSA-N 303.789 3.582 0 40 DHAB COc1ccccc1CN[C@@H](C)c1c(Cl)nc2ccccn12 89904512 AQPLEKGHSCUSDX-LBPRGKRZSA-N 315.804 3.847 0 40 DHAB CCOCCCn1c(CCCC(=O)O)nc2cc(Cl)ccc21 95095659 CNZYSWAHNFKUJI-UHFFFAOYSA-N 324.808 3.524 0 40 DHAB COCCSc1ccc(NC(=O)N2CCC(C)(C)C2)cc1 95403931 PSZFWTAGLGKCRJ-UHFFFAOYSA-N 308.447 3.689 0 40 DHAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cccc2cc[nH]c12 95430462 MYVLRLRPYZTIFH-CYBMUJFWSA-N 308.381 3.577 0 40 DHAB CC[C@H](c1ccc(F)cc1F)[S@@](=O)CC1CCOCC1 95439190 SYKZMCYVMUYRRV-FOIQADDNSA-N 302.386 3.591 0 40 DHAB C[C@H](OC1CCCC1)C(=O)Nc1ccc(Br)cc1 95959402 HBWMHXJGHZBKQE-JTQLQIEISA-N 312.207 3.735 0 40 DHAB O=C(CCc1ccc(C(F)(F)F)cc1)NCCc1ccoc1 96120583 JWOSQHUCGJEFJU-UHFFFAOYSA-N 311.303 3.590 0 40 DHAB Cc1ccc(CN2CCc3nc(NC(C)C)nc(C)c3C2)s1 96253903 JVZIXVFTOHALNR-UHFFFAOYSA-N 316.474 3.534 0 40 DHAB Cc1ccc(CNC(=O)N(C)C[C@H](C)c2nccs2)cc1F 96501907 NSUYYTLIPKCVDM-LBPRGKRZSA-N 321.421 3.536 0 40 DHAB Cc1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)cc1 100909160 LFZMEUUJHYCDTP-MNDPQUGUSA-N 318.348 3.568 0 40 DHAB C[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)C1 222654763 QEZVPWKWXKCDKR-HUUCEWRRSA-N 301.430 3.591 0 40 DHAB COc1ccccc1O[C@@H](Cc1cccc2ccccc12)C(=O)O 225048809 DGOSVBBJKQVVKS-IBGZPJMESA-N 322.360 3.923 0 40 DHAB Cc1cc(C(F)(F)F)nc(Oc2ccc([N+](=O)[O-])c(F)c2)n1 390834349 WWKSRMKWKCDEPB-UHFFFAOYSA-N 317.198 3.643 0 40 DHAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(F)c1 408701218 ULTPFFHPSMKTFC-UHFFFAOYSA-N 323.389 3.759 0 40 DHAB CCOC(=O)[C@@H]1C(=N)c2cc(OC)ccc2[C@@H]1Cc1ccccc1 524735317 RHSZUNZXRSUSGK-WMZOPIPTSA-N 323.392 3.582 0 40 DHAB C[C@]12CC[C@@H](CC1=O)[C@@]2(C)CCC(=O)Nc1ccc(F)cc1 1740818998 ZINZEJXSKOKQDR-RZAIGCCYSA-N 303.377 3.940 0 40 DHAB Cc1ccc2c(c1)CCCN2c1ncnc2c1ncn2C1CC1 2087047202 PIIQCIVBOGWLPA-UHFFFAOYSA-N 305.385 3.554 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)cc1 26230 RMZAYRXUTNJSDZ-HNNXBMFYSA-N 307.440 3.582 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nccs1 73484 RHKFJQSZLZUIMQ-SSDOTTSWSA-N 317.197 3.856 0 40 DHAB C[C@H]1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)[C@H]1C 106081 BQFAPGKABHKJDF-KBPBESRZSA-N 317.392 3.945 0 40 DHAB Cc1ccccc1N(Cc1cccc(Cl)c1)S(C)(=O)=O 366601 ZHEBDGNNLUGGFQ-UHFFFAOYSA-N 309.818 3.615 0 40 DHAB Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCc2ccccc2C1 490718 ANYPRKAJTIFCTK-IBGZPJMESA-N 306.409 3.568 0 40 DHAB biogenic COc1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 1001777 BNISUIMQGJAAAZ-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB COc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3 2230733 GXPYGECJGBUBOD-UHFFFAOYSA-N 311.385 3.857 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccccc1Cl 2639438 UVUKPXZDDUJVEL-AWEZNQCLSA-N 317.816 3.856 0 40 DHAB c1ccc(-c2nnc(SCc3cn4ccsc4n3)o2)cc1 3306880 HKQGGJVGZUFBJJ-UHFFFAOYSA-N 314.395 3.738 0 40 DHAB CC(=O)c1ccc(NC(=O)COc2cc(C)ccc2Cl)cc1 3494308 NMPDXINLGOAPLP-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB Cc1cc(C)cc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1 4163692 IXBJRCBPZUURKT-UHFFFAOYSA-N 306.365 3.915 0 40 DHAB CCCCOCCCNC(=O)c1c(-c2ccccc2)noc1C 4265032 ZDOVPZMGTAQDRO-UHFFFAOYSA-N 316.401 3.587 0 40 DHAB Cc1ccc(-n2c(C)cs/c2=N\C(=O)c2ccccc2)cc1 5127450 MTAZAGTXGIVAMO-HNENSFHCSA-N 308.406 3.897 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1 5264478 ZCGKOXUHGRFJHG-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB COc1ccc2c(c1)N[C@H](c1ccccc1C(=O)O)c1cccn1-2 5390427 LLBTWCNJQATOFI-GOSISDBHSA-N 320.348 3.699 0 40 DHAB Cc1nnc2n1N=C(c1ccccc1)[C@H](c1ccccc1)S2 5837509 PMBPAOOWWJLTGA-INIZCTEOSA-N 306.394 3.686 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1 7242250 YMHLNQSGLOBFQJ-ZDUSSCGKSA-N 322.408 3.817 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 8050115 DKPZQIQZWMTQNU-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB C[C@@H](C(=O)Nc1cccnc1Cl)N1CCCc2ccccc21 8119094 WVKOUJSOIQSLSJ-LBPRGKRZSA-N 315.804 3.515 0 40 DHAB Cc1nnc(SC[C@@H]2CC2(Cl)Cl)n1-c1ccccc1 9142907 KRHOTDWAOOVLJA-JTQLQIEISA-N 314.241 3.862 0 40 DHAB C[C@H]1CCc2sc3ncn4c(-c5ccncc5)nnc4c3c2C1 9303368 AKBDDSSTNOSTJR-JTQLQIEISA-N 321.409 3.526 0 40 DHAB COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c(OC)c1 9315299 FITHILFBFUBBOR-KGLIPLIRSA-N 315.344 3.585 0 40 DHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc2c(c1)CCC2 9450870 JKFWGAVXHMLIDE-UHFFFAOYSA-N 320.392 3.554 0 40 DHAB Cc1ccccc1OCC(=O)N[C@H](c1cccs1)C(C)C 10852302 GHORBDBLNQBDQV-KRWDZBQOSA-N 303.427 3.949 0 40 DHAB O=C(COc1ccccc1)OCc1cc(-c2cccs2)on1 12236720 RZFBUFSZSDMBRX-UHFFFAOYSA-N 315.350 3.525 0 40 DHAB Cc1ccccc1CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 12436044 FMVWZXQTVVLEEQ-UHFFFAOYSA-N 308.381 3.525 0 40 DHAB COc1ccc(-c2nc(COC(=O)c3ccsc3)co2)cc1 12768342 QVMHGWBWZKYAKX-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB C[C@@H]1CCCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)C1 13008944 VLOMPVOXNJRKNJ-CQSZACIVSA-N 309.413 3.622 0 40 DHAB CC[C@@H](NC(=O)CN(C)Cc1ccc(C)o1)c1ccc(C)cc1 15296539 MHGPPZLDLUTXKV-GOSISDBHSA-N 314.429 3.596 0 40 DHAB CC(C)c1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 16129176 QNLIUXSXKFRTOV-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB Cn1ccc([C@@H]2CCCCCN2Cc2cc(F)ccc2F)n1 19291060 XPKHDHIBTRDOGF-KRWDZBQOSA-N 305.372 3.816 0 40 DHAB Cc1ccc(C)c(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c1 19910142 VDOFLADZEANMKL-UHFFFAOYSA-N 308.385 3.997 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(=O)O)c1 20137122 SCQZGZQGPCLNKR-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB Cc1cn2c(=O)cc(COc3ccc(C(C)C)cc3)nc2s1 21368848 TUSOCJCSIXRQJE-UHFFFAOYSA-N 314.410 3.767 0 40 DHAB CCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)ccc1O 23745544 XWROBNDYSSEMET-UHFFFAOYSA-N 307.752 3.847 0 40 DHAB C[C@H](Nc1ccc2c(c1)OCCO2)c1nnc(-c2ccccc2)o1 24515084 XYCFYIQZPICXIG-LBPRGKRZSA-N 323.352 3.681 0 40 DHAB CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 32601742 PQQVLVFBILSWGE-UHFFFAOYSA-N 316.637 3.724 0 40 DHAB Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)c(C)n1C1CC1 32738192 XEULOADRJCVPPS-KRWDZBQOSA-N 310.397 3.693 0 40 DHAB C[C@]1(C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1(Cl)Cl 32894288 QXPJKGBMPUBWKD-OAHLLOKOSA-N 323.223 3.637 0 40 DHAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1 45890240 BSEIVUCNXUUVMO-UHFFFAOYSA-N 318.804 3.811 0 40 DHAB O=C(CCc1ccccc1O)N1CCC[C@@H]1c1ccsc1 47166058 DFGBMTKLGPACGC-OAHLLOKOSA-N 301.411 3.750 0 40 DHAB Cc1nc(C)c(C(=O)N2CCC(Cc3ccccc3)CC2)s1 48325899 WLOWXAPHZCCDPF-UHFFFAOYSA-N 314.454 3.855 0 40 DHAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccccc1 49466803 GVMBGGUZFSEUBM-ZWKOTPCHSA-N 323.392 3.852 0 40 DHAB FC(F)Oc1cccc(CNc2ncnc3ccccc23)c1 50932272 DSYJNILEAYYMAV-UHFFFAOYSA-N 301.296 3.843 0 40 DHAB CCCN(CCC)CP12(O[C@@H](C)[C@@H](C)O1)O[C@H](C)[C@@H](C)O2 57292223 RXAWBXAKAOSLAY-TUVASFSCSA-N 321.398 3.927 0 40 DHAB CC[C@@H](OC(=O)c1csc(NC(C)=O)n1)c1ccc(F)cc1 57750045 FLGLEKSNZYSUFF-CYBMUJFWSA-N 322.361 3.549 0 40 DHAB Cc1ccc(-c2nsc(C(=O)N3CCC[C@@H](C)C3)c2N)cc1 62007072 KYOJJUUHDYZEBS-GFCCVEGCSA-N 315.442 3.573 0 40 DHAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CC(C)C)c(C)c1 62411927 NVNIIEHEZTXUSR-CQSZACIVSA-N 319.449 3.643 0 40 DHAB Cc1noc(C)c1CSCc1csc(-c2cnn(C)c2)n1 65947818 YCNWHOIZGJRBKP-UHFFFAOYSA-N 320.443 3.582 0 40 DHAB O=C(Cc1ccccc1)N1CCc2cc(Br)ccc21 69361102 YIOGOBYCEZTHTF-UHFFFAOYSA-N 316.198 3.581 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(C)c1 69430602 BKGJAQIGAWSMPG-CQSZACIVSA-N 311.381 3.566 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1O 71792665 XYUNAMBNNOWACF-GFCCVEGCSA-N 303.789 3.808 0 40 DHAB Cc1nc2ccccc2nc1N1CCO[C@H](c2ccccc2)C1 71797885 HMAKMRVHIDPTJD-SFHVURJKSA-N 305.381 3.516 0 40 DHAB CCc1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)n2)s1 71854075 XHTJWQHIHORMQT-UHFFFAOYSA-N 315.320 3.680 0 40 DHAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc3ccccc3o2)c1 71865652 YJHWUCKGWGEATE-MRXNPFEDSA-N 323.396 3.633 0 40 DHAB CCNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213103 PTQBSVDEBVNJFT-CQSZACIVSA-N 305.422 3.976 0 40 DHAB CCNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72213110 RJISIDMAISVALM-KRWDZBQOSA-N 309.413 3.881 0 40 DHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCC2)nc1 72215929 HNNPQYQUVFBZLR-GOSISDBHSA-N 321.424 3.659 0 40 DHAB CC(=O)Nc1cccc(CSc2nnc(C3CC3)s2)c1 74796866 GTKMSKIAPOHSEG-UHFFFAOYSA-N 305.428 3.666 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)c1 78542933 YRAXGDHGQCSCKB-UKPHBRMFSA-N 320.433 3.577 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 78579380 NGKRQVSETJDXLO-CQSZACIVSA-N 317.816 3.775 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)N1CC[C@@H](c2ccccc2)C1 84525515 MIMQGASIEZXKID-GOSISDBHSA-N 320.436 3.917 0 40 DHAB Cc1c(COC(C)C)cccc1NC(=O)N(C)[C@@H]1CCSC1 89540398 MDIGPZXBVDDGSL-OAHLLOKOSA-N 322.474 3.889 0 40 DHAB COc1cc(Cl)cc(Cl)c1I 91690863 QAVIKJDKZDNHRJ-UHFFFAOYSA-N 302.926 3.607 0 40 DHAB Cc1ccc(-c2ncc(CN(C)CCc3nccs3)s2)o1 93844099 FKWMVBMNUZMMEX-UHFFFAOYSA-N 319.455 3.843 0 40 DHAB CC[C@H](C)[C@H](NCc1ccc(COC)cc1)C(=O)OC(C)(C)C 95467213 MOEGYCOWCOCQKA-YOEHRIQHSA-N 321.461 3.679 0 40 DHAB FC(F)(F)Cn1cc2c(n1)[C@@H](NCc1ccccc1)CCC2 96002737 WIJUXBWXEPGDCE-AWEZNQCLSA-N 309.335 3.613 0 40 DHAB CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1 96014071 GKPVULCXVIFSHT-UHFFFAOYSA-N 311.809 3.534 0 40 DHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccco1 96232139 KKUJJBZIBASEAW-HNNXBMFYSA-N 310.353 3.577 0 40 DHAB O=C(COc1ccccc1)N[C@@H]1CCCc2c1[nH]c1ccccc21 96232535 MSBUEUJYWGCJMK-GOSISDBHSA-N 320.392 3.741 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@H]1C=C[C@H]2C1 105409684 POIZLOBITIUNSS-CAMMJAKZSA-N 315.372 3.665 0 40 DHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113951569 SSVZZSXNBFNIRC-NCOADZHNSA-N 301.430 3.766 0 40 DHAB C[C@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2C[C@@H]1O 118929788 GKHMLMUXODLNKN-PEACWCRISA-N 306.490 3.997 0 40 DHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1sccc1C 222858497 OKRTVEZRODNHQU-KBPBESRZSA-N 317.483 3.834 0 40 DHAB COc1ccc(C)cc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225117451 ZPUALXNFRBRSAB-INIZCTEOSA-N 320.772 3.732 0 40 DHAB COC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1 225428954 DUZFJTBNUQFGII-UHFFFAOYSA-N 310.275 3.818 0 40 DHAB COc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cn1 225538991 UQDXEBALIJIEBN-ZDUSSCGKSA-N 315.442 3.755 0 40 DHAB Fc1cccc(NC(=S)NCCCOC2CCCCC2)c1 225617336 SMRXAXAQLDXMPI-UHFFFAOYSA-N 310.438 3.852 0 40 DHAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(F)c(F)c1 225783117 RUQPLBZZMWNGFK-LLVKDONJSA-N 322.380 3.719 0 40 DHAB Cc1nc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2n1C 225894514 MFBANTREXJSCHL-AWEZNQCLSA-N 321.424 3.633 0 40 DHAB CN(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N 226267070 CVUODXUEALLIAW-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260743718 QDGHNKMRLFRVHL-OAOQPFQOSA-N 313.441 3.638 0 40 DHAB O=C1CCC[C@H]2CC3(CC[C@]12Cc1ccccc1)OCCO3 1547139900 YHNPNGQPFVRVNG-FUHWJXTLSA-N 300.398 3.512 0 40 DHAB COc1ccc(NC(=O)CCC(=O)OC2CCC(C)CC2)cc1 136032 RBTBJPSHSVLQDM-UHFFFAOYSA-N 319.401 3.536 0 40 DHAB Fc1cccc(-c2nnc3sc(Cc4cccs4)nn23)c1 385537 MENMXIZCXHSUQG-UHFFFAOYSA-N 316.386 3.644 0 40 DHAB CN(C)c1ncc2c(n1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O 538221 FQVIVDHLNNQSOM-CQSZACIVSA-N 323.440 3.753 0 40 DHAB O=C1N(c2ccc(Cl)cc2)[C@@H](c2ccccc2)N2CCCN12 545757 HMGQLPXMYWDKTK-INIZCTEOSA-N 313.788 3.902 0 40 DHAB CC(=O)Nc1ccc(Cc2ccc(Br)cc2)cc1 1701631 SKMZUESQKPWBBX-UHFFFAOYSA-N 304.187 3.998 0 40 DHAB COc1ccc(-c2c(C)c3cc(F)ccc3oc2=O)cc1OC 2243260 PNMOEDQKHRDUHO-UHFFFAOYSA-N 314.312 3.925 0 40 DHAB O=C(c1cc(F)cc(F)c1)c1cccc(CN2CCCC2)c1 2515091 GXPQFCCEPZNKFJ-UHFFFAOYSA-N 301.336 3.792 0 40 DHAB COc1ccccc1CCC(=O)Nc1nc2ccccc2s1 2626240 DMIBWBPPVYOBPQ-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1 5527781 FJHBRXOGZWKUSQ-AWEZNQCLSA-N 317.816 3.856 0 40 DHAB Fc1ccc(-n2c(S)nnc2-c2c[nH]c3ccccc23)cc1 5906458 RMHFLCQJVFOYAA-UHFFFAOYSA-N 310.357 3.843 0 40 DHAB CC(=O)c1cn([C@H](C)C(=O)NC2CCCCC2)c2ccccc12 6957479 QNKYUHGTWXTVGQ-CYBMUJFWSA-N 312.413 3.854 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)CN[C@@H]1CCC[C@@H](C)[C@H]1C 7141010 QLYHNZAWWXYRRP-ZHALLVOQSA-N 316.489 3.838 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Cl)cc2)c1C 7168236 DYXHOTOZPPSPGM-UHFFFAOYSA-N 305.761 3.749 0 40 DHAB O=c1[nH]c(SCc2cccc(Cl)c2)nc2c1CCCC2 8606926 NHOJQCBLFUKOTJ-UHFFFAOYSA-N 306.818 3.594 0 40 DHAB CC(=O)Nc1ccc(CNCCc2ccc(Cl)cc2)cc1 8751345 CFRJJZLNPPRXSD-UHFFFAOYSA-N 302.805 3.631 0 40 DHAB Oc1cc(CSc2ccccn2)nn1-c1ccc(Cl)cc1 9937267 YRTGFNSJNODWFI-UHFFFAOYSA-N 317.801 3.919 0 40 DHAB COc1ccc(C)cc1NC(=O)/C=C/c1cnc2ccccc2n1 12600761 HTEMCCFHVUQZMP-CSKARUKUSA-N 319.364 3.599 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1Cc2ccccc2S1 12617180 BKGCOXPBRLIRCI-DUKHMXAISA-N 313.466 3.788 0 40 DHAB Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1C 12760544 KKFREOMOEWERDD-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB Cc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 13000928 JXVCLIDYGZOXPZ-CQSZACIVSA-N 309.365 3.997 0 40 DHAB Cc1ccc(NC(=O)CN[C@H](C)c2ccccc2Cl)cc1 13040163 GRRUGEWMLQESET-CYBMUJFWSA-N 302.805 3.938 0 40 DHAB C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 13790796 MNMCTUKIYBUPTC-LBPRGKRZSA-N 314.410 3.505 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C(=O)c2cc3ccccc3o2)c1C 15215839 FWAQTBHVVNWWHC-UHFFFAOYSA-N 311.337 3.785 0 40 DHAB CC1(C)CC(=O)CC(C)(C)C1NC(=O)Nc1ccc(F)cc1 16577694 CKOOEOKRVFMHPT-UHFFFAOYSA-N 306.381 3.731 0 40 DHAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1NCc1ccccc1 20130088 QQRWELYHLOUREG-LJQANCHMSA-N 308.425 3.977 0 40 DHAB CSc1nc(C)c(CC(=O)Nc2ccc(C)cc2C)s1 22883188 BFYODLWJFXQEFA-UHFFFAOYSA-N 306.456 3.971 0 40 DHAB Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3ccccc3)c2C)cc1 24758291 MXCSLKIROBFXBI-OAHLLOKOSA-N 319.408 3.980 0 40 DHAB CC(=O)c1sc(NC(=O)Nc2cc(C)ccc2C)nc1C 27925371 KGQDZGWNTYNPQO-UHFFFAOYSA-N 303.387 3.915 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc3cnccc23)c1 28248574 DZGQRKJEYFOXIX-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1C 29482393 NMPWYYBEJKVLME-IBGZPJMESA-N 308.425 3.861 0 40 DHAB Cc1nc(OCC(=O)Nc2cccc(C)c2C)c2ccccc2n1 33287275 HMSFPFKBSVAPHQ-UHFFFAOYSA-N 321.380 3.573 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc(C)cc3C)c(=O)oc2c1 33809462 PEKPCPMLHWFRGF-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)o1 48346822 BTYKPCQVESKOKG-SWLSCSKDSA-N 311.385 3.995 0 40 DHAB CCOc1cccc(NC(=S)NCc2ccc(OC)cc2)c1 54971783 ZCQOWBKDNPBZDK-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB Fc1ccc(C[C@H]2CCCN2Cc2nnsc2Cl)cc1 55908471 IFTPJBBBEVDMMF-GFCCVEGCSA-N 311.813 3.538 0 40 DHAB CCN(C)c1cccc(NC(=O)N2CCc3ccccc3C2)c1 58313757 YOIOKMGRCWZXAM-UHFFFAOYSA-N 309.413 3.733 0 40 DHAB O=C(Nc1ccc(O)cc1)c1ccc(COc2ccccc2)o1 60795346 OIYFOFVWOHZLSJ-UHFFFAOYSA-N 309.321 3.817 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1 64476779 ABSVEVPXFVWOHJ-UHFFFAOYSA-N 321.467 3.850 0 40 DHAB Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2C)cc1 64664137 WGPMSDBMCGPWCQ-UHFFFAOYSA-N 317.392 3.690 0 40 DHAB Cc1cc(NC(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)no1 65514992 ZZFSHEMVEXWGTC-GFCCVEGCSA-N 313.279 3.750 0 40 DHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C)nn1C 69351282 YAKUJQDOSZNSOC-DLBZAZTESA-N 311.429 3.527 0 40 DHAB CC(C)(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccs1 71800102 SSGMUSNWEMXPLC-OAHLLOKOSA-N 317.410 3.994 0 40 DHAB CCc1csc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 72282200 KAYGOYRMFZACJN-UONOGXRCSA-N 304.459 3.768 0 40 DHAB Cc1nc(CSCc2noc(-c3cccs3)n2)cs1 78555732 QUIVAYBTPVDLEW-UHFFFAOYSA-N 309.441 3.996 0 40 DHAB Cc1noc(C)c1CCNC(=O)c1c(Cl)cccc1Cl 78986360 RRLNGNLNZJNIEC-UHFFFAOYSA-N 313.184 3.571 0 40 DHAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(F)cc1F 79100255 NJZOVFQJHMBSGM-NSHDSACASA-N 320.339 3.765 0 40 DHAB Cc1ccc([C@H](O)CN[C@@H](C)c2ccccc2-n2cccn2)cc1 84148697 QYBFIDPEFVGDFE-OXJNMPFZSA-N 321.424 3.565 0 40 DHAB O=C(O)c1cc(Br)c2nc(-c3ccccc3)[nH]c2c1 84751666 KIIKLJQKFMQDCI-UHFFFAOYSA-N 317.142 3.691 0 40 DHAB Cc1ccc(Cl)c2c(Br)c(C(=O)O)cnc12 85386473 WBUHGCYAPDKVKE-UHFFFAOYSA-N 300.539 3.657 0 40 DHAB CC(C)[C@@H](C)N(C(=O)N[C@@H](c1nccs1)C1CC1)C1CC1 86424639 WQHCPYZSAFVAAT-BXUZGUMPSA-N 307.463 3.813 0 40 DHAB Cc1ccoc1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 95418214 VKEGPLRWUMRVPO-CABCVRRESA-N 317.385 3.690 0 40 DHAB CSC(C)(C)CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 95423530 NVBUNBBXVRDICB-GFCCVEGCSA-N 321.490 3.763 0 40 DHAB Cc1nc(-c2cccc(F)c2)nc2c1CN(CCC(C)C)CC2 96253956 SPLSJCQLOCEZTK-UHFFFAOYSA-N 313.420 3.995 0 40 DHAB C[C@H](NC(=O)Nc1cccnc1)c1nc(C(C)(C)C)cs1 106503035 DJCGRIOVWSZHCB-JTQLQIEISA-N 304.419 3.718 0 40 DHAB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)c2ccccc21 142757048 AGNDTHPDQAGMRY-WJDWOHSUSA-N 309.365 3.611 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 216256770 KXACRYAAIBLLHZ-HUUCEWRRSA-N 309.409 3.994 0 40 DHAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(SC)cc1 223984073 NDTCYGYHWLSEET-CYBMUJFWSA-N 315.504 3.903 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccc(C)cc2C)cc1 224764749 PZEIXHNEYOXYTQ-KRWDZBQOSA-N 311.425 3.738 0 40 DHAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 224848983 FMNLPVFMWYZWPL-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB C[C@H](COc1ccccc1)NC(=S)Nc1c(F)cccc1F 225783060 ATZJJRUPWSYWMF-LLVKDONJSA-N 322.380 3.719 0 40 DHAB CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c(C)n1 225899038 JVRBSXURXLAIAQ-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCC1 226266991 WIQLUKGRAGDBAQ-UHFFFAOYSA-N 315.804 3.775 0 40 DHAB Cc1cc(Br)ccc1CNC(=O)OC(C)(C)C 253496199 VHEPLPABOPCNNP-UHFFFAOYSA-N 300.196 3.782 0 40 DHAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2ccsc2)ccn1 257230745 GDSDPUJTBGQURK-INIZCTEOSA-N 300.427 3.689 0 40 DHAB COC(=O)[C@@H](C(C)C)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260625433 ZQQPMXRHTNQWET-CZUORRHYSA-N 319.445 3.985 0 40 DHAB Cc1cc(Cl)ccc1NC(=S)NC(=O)c1ccccc1F 408596925 WDFZSIBAVZFFCY-UHFFFAOYSA-N 322.792 3.914 0 40 DHAB CCOc1cc(C=O)c(Br)cc1O[C@H](C)CC 408845533 GJZNOBJXFGECCS-SECBINFHSA-N 301.180 3.838 0 40 DHAB CCOC(=O)CCCC(=O)c1cccc(OC(F)(F)F)c1 575359056 NXANKGPLUXMVHZ-UHFFFAOYSA-N 304.264 3.501 0 40 DHAB CCc1cc2c(=O)n(Cc3cccc(Cl)c3)cnc2s1 148865 KKDXFCOMLLLNMH-UHFFFAOYSA-N 304.802 3.722 0 40 DHAB COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(C)c1 422940 HPOVCLPLUYIJNC-KXBFYZLASA-N 324.380 3.773 0 40 DHAB Cc1cccc(NC(=O)O[C@H](C)c2sc3ncnn3c2C)c1 1405012 FGKNXFAXRBPBEH-LLVKDONJSA-N 316.386 3.717 0 40 DHAB O[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 1769008 KPKKFLBYCOLRQR-LOHQWYEISA-N 316.826 3.583 0 40 DHAB CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 3472834 UDMATNXERNCUNN-SNVBAGLBSA-N 324.446 3.956 0 40 DHAB CCc1cccc(CC)c1NC(=O)COc1ccc(OC)cc1 3606975 KGKLFBOZMGNDGA-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1 4090386 YBWDBPXTVLUGQJ-UHFFFAOYSA-N 314.410 3.521 0 40 DHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1cccs1 4910115 YDUVULDAIBSUHI-HNNXBMFYSA-N 313.382 3.686 0 40 DHAB CCCc1cc(O)nc(SCc2nc3cc(C)ccc3[nH]2)n1 4938259 VFZXVVVFCFXCAS-UHFFFAOYSA-N 314.414 3.612 0 40 DHAB Cc1ccc(NC(=O)c2cccs2)cc1N1CCCCC1=O 5441780 DVNPWRLKKQHZKC-UHFFFAOYSA-N 314.410 3.826 0 40 DHAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccc(F)cc1 5980270 GLSUCGDSOPOUKE-UXBLZVDNSA-N 316.328 3.901 0 40 DHAB O=C(O)/C(=C\c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 6221024 JHJXVROQNKPWSR-QPEQYQDCSA-N 302.713 3.694 0 40 DHAB C1=C(c2ccccc2)CCN(Cc2nnc(-c3ccco3)o2)C1 6880858 CWVQVRUBJRQMGY-UHFFFAOYSA-N 307.353 3.619 0 40 DHAB O[C@@H](c1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1 7778684 PWXVGGIRINRFAX-ZDUSSCGKSA-N 320.270 3.837 0 40 DHAB CCCOc1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 8844092 DUIOOQMMCZXBQO-UHFFFAOYSA-N 321.380 3.969 0 40 DHAB CSc1ccccc1-c1nnc(NC(=O)c2ccccc2)o1 9707570 ASDBJFWZVQDUDP-UHFFFAOYSA-N 311.366 3.711 0 40 DHAB Cc1cc(NC(=O)CSc2c(C)c(C)cc(C)c2C)on1 12772440 IFZKJHUZWGBECA-UHFFFAOYSA-N 304.415 3.948 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)N[C@@H]1CCCC[C@H]1C 12790908 PAYRGPZQBXTLPV-GDBMZVCRSA-N 304.434 3.594 0 40 DHAB CCOc1cc2c(cc1NC(=O)[C@@H]1CC=CCC1)O[C@H](C)C2 13012272 MTGUZEXKZWUBGX-CHWSQXEVSA-N 301.386 3.704 0 40 DHAB COc1ccc(-c2cc(C(=O)Oc3ccccc3F)no2)cc1 15669818 WXUBPLZYDPUSKN-UHFFFAOYSA-N 313.284 3.709 0 40 DHAB CCc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 19842630 QPFKHTYJIPXONE-UHFFFAOYSA-N 324.493 3.742 0 40 DHAB CCOc1cccc(CNC(=O)[C@@H](C)Sc2ccccc2)c1 20457429 SLGNYPBFVZSHDF-CQSZACIVSA-N 315.438 3.882 0 40 DHAB CN(C(=O)COc1ccc(Cl)cc1Cl)C1CCCC1 22513013 YTNQZDROGUAISF-UHFFFAOYSA-N 302.201 3.773 0 40 DHAB Cc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cn1 22837294 CVHJWSVGCWPMRE-GFCCVEGCSA-N 311.410 3.833 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(F)cc2F)c1 25216115 XJEILXLKOQYHAR-UHFFFAOYSA-N 305.324 3.908 0 40 DHAB O=C(NC1CCCCCCC1)C1(c2ccccc2)CCOCC1 32656426 LGPPDCSNMPUAQQ-UHFFFAOYSA-N 315.457 3.964 0 40 DHAB CSCc1nnc(SCC(=O)c2cc(C)sc2C)o1 32865474 GAERRTVHGMMSLH-UHFFFAOYSA-N 314.457 3.586 0 40 DHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@]1(C)CC1(Cl)Cl 32931247 REZQBCQQVAOHRP-NOZJJQNGSA-N 320.647 3.971 0 40 DHAB CC(C)c1nc2sc3c(c2c2nnc(S)n12)CC[C@H](C)C3 35312167 AUQFTNDXIDOZGG-QMMMGPOBSA-N 318.471 3.876 0 40 DHAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)s1 36391255 JLPPJIBKWBYTSO-GFCCVEGCSA-N 305.424 3.990 0 40 DHAB CC(C)[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1cccs1 37031196 FHQXRTLBKQJZHF-PBHICJAKSA-N 302.443 3.652 0 40 DHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 48331735 UFYLLASLAFWIGI-LSDHHAIUSA-N 314.429 3.644 0 40 DHAB O=C(NOCc1ccccc1)N1CCC[C@@H]1c1cccs1 50096811 OFTVKSAFJFNQHK-CQSZACIVSA-N 302.399 3.726 0 40 DHAB O=C(C=C1CCCCC1)NCc1ccccc1CN1CCCC1 55980525 UQFHZGKWJAIWFE-UHFFFAOYSA-N 312.457 3.789 0 40 DHAB CC(C)N1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214317 NCJXSRCIXZWBJY-CQSZACIVSA-N 305.422 3.974 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 72331676 DRLDRVZLHNFLAM-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB Cc1ccc(-c2cc(C(=O)NCc3cccc(F)c3)no2)cc1 72427593 FXVSEZIJCWLUBL-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB Cc1cnc(CN(C)C2CCN(c3ccc(Cl)cc3)CC2)o1 72801581 KHHFXWNJGPCFKO-UHFFFAOYSA-N 319.836 3.737 0 40 DHAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCCCc1nccs1 76988485 BLJLYARSZVUWES-JKSUJKDBSA-N 314.454 3.694 0 40 DHAB CN(C)c1cccc(CNCc2csc(-c3ccco3)n2)c1 78552604 YFHDURODKKFFOH-UHFFFAOYSA-N 313.426 3.759 0 40 DHAB COc1cc(C(=O)c2ccccc2OC(F)(F)F)ccc1F 95917432 QIGZWTQQLONCOA-UHFFFAOYSA-N 314.234 3.964 0 40 DHAB NC(=S)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 95929424 FCVUIAOJAFFBAA-UHFFFAOYSA-N 313.304 3.548 0 40 DHAB CCCn1c(CNc2cnc3onc(C)c3c2)nc2ccccc21 95943685 VYCASKRGSLYBLB-UHFFFAOYSA-N 321.384 3.903 0 40 DHAB O=C(CCc1nccs1)Oc1cccc(C(F)(F)F)c1 95954843 HBWJGDRRBQMFSQ-UHFFFAOYSA-N 301.289 3.700 0 40 DHAB CS[C@@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)C(C)(C)C 96010709 OMLJKUTYOBNJOY-AWEZNQCLSA-N 308.422 3.815 0 40 DHAB CC(=O)Nc1cccc(COC(=O)C(C)(C)c2cccs2)c1 96406941 BOJJGYBMPAVOKT-UHFFFAOYSA-N 317.410 3.728 0 40 DHAB Cc1ccc(Cl)c(NC(=O)N2CC[C@H](CN3CCCC3)C2)c1 96491516 AUCNKYMJRVVRFD-CQSZACIVSA-N 321.852 3.598 0 40 DHAB Cc1ncccc1CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 97032588 FFQPJZBUPVSNPV-INIZCTEOSA-N 306.413 3.646 0 40 DHAB Cc1ccc2s/c(=N/C(=O)c3ccccc3F)n(C)c2c1C 100878911 VQCDKALSPLXSRP-HTXNQAPBSA-N 314.385 3.737 0 40 DHAB Cc1c(Cl)cccc1NC(=O)CN1Cc2ccccc2C1 106303760 IASHKZKAMREMPD-UHFFFAOYSA-N 300.789 3.603 0 40 DHAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nn1-c1ccccc1 107134705 HOUAGHYITOSSBT-CVYDXHPNSA-N 323.440 3.735 0 40 DHAB Cc1nc(CN[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cs1 110669345 PMLMDPDPFAPKBN-YOEHRIQHSA-N 315.486 3.594 0 40 DHAB Cc1ccccc1NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225364003 LGVSGPPYAHKINC-UHFFFAOYSA-N 309.365 3.799 0 40 DHAB Cc1ccccc1CNC(=O)Cc1cccc(Br)c1 225612959 SAJIDZSQDFNSIW-UHFFFAOYSA-N 318.214 3.616 0 40 DHAB COc1ccc(NC(=O)C2(OC)CCCC2)cc1C(F)(F)F 225803611 QPTSXHKBCGMUBO-UHFFFAOYSA-N 317.307 3.612 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN(C(C)C)C(C)C 245228806 FVWVHROWEIKEIH-MKXGPGLRSA-N 313.526 3.944 0 40 DHAB Cc1nc(C(C)C)oc1C(=O)N1CCCc2c(F)cccc21 551700867 UBQSAIRZVCFGQA-UHFFFAOYSA-N 302.349 3.839 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(Cl)cc(Cl)n1 606303116 FMHYTFLQTBJQTO-QMMMGPOBSA-N 318.204 3.855 0 40 DHAB CC(C)c1ccc(OC[C@@H](O)CN(C)C2CCCCC2)cc1 1475496 WYGPQADPOSNBCU-SFHVURJKSA-N 305.462 3.814 0 40 DHAB COc1ccc2c(c1)OCCN(C)O[C@H]2c1cccc(Cl)c1 1582531 PFZGKMHQHBIQJU-KRWDZBQOSA-N 319.788 3.694 0 40 DHAB CCNc1nc(NCC)c(Cl)c(C(Cl)(Cl)Cl)n1 1757474 ZNWHXIIZDMZHKS-UHFFFAOYSA-N 318.035 3.820 0 40 DHAB CC(C)CC[C@@]1(CCN2C(=O)CCC2=O)CCO[C@H](C(C)C)C1 2111815 ANCPIMCKINDVSO-QFBILLFUSA-N 323.477 3.783 0 40 DHAB biogenic Cc1ccc(C)c(SCC(=O)NCc2ccc(F)cc2)c1 2621634 KTWVSTMBPMAISW-UHFFFAOYSA-N 303.402 3.851 0 40 DHAB CCOc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 3605862 IKQYGTMFSMRXKX-UHFFFAOYSA-N 323.751 3.895 0 40 DHAB Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)[C@H](C)O2 4475788 ZHWLXJAAVIQDSW-LBPRGKRZSA-N 301.773 3.963 0 40 DHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc[nH]1 5213500 DZSNXQLOQDALMG-UHFFFAOYSA-N 319.773 3.693 0 40 DHAB CCCCC1CCC(C(=O)NN2Cc3ccccc3C2=N)CC1 5304471 CKSIPSDZTSTDBN-UHFFFAOYSA-N 313.445 3.855 0 40 DHAB COc1ccc(NC(=O)Cc2coc3cc(OC)ccc23)cc1 5559930 QCFBLAPLCGEIAL-UHFFFAOYSA-N 311.337 3.631 0 40 DHAB Cc1csc(NC(=O)Cc2coc3cc4c(cc23)CCC4)n1 5938565 ZSVICNPIBRDESQ-UHFFFAOYSA-N 312.394 3.868 0 40 DHAB COc1cc(OC)cc(C(=O)Sc2nc3ccccc3o2)c1 6229660 BUYQVVKUFSGWEV-UHFFFAOYSA-N 315.350 3.778 0 40 DHAB COc1ccc(CNC(=O)c2cccs2)c(C(C)(C)C)c1 6262668 DOFAIZSTUQZSEF-UHFFFAOYSA-N 303.427 3.984 0 40 DHAB O=C(NC1CCCCCC1)[C@H]1COc2ccc(Cl)cc2C1 7954990 WZBKCNAIOTYHMQ-CYBMUJFWSA-N 307.821 3.730 0 40 DHAB COc1cccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 8428787 GOHJCMOUVTWDBY-UHFFFAOYSA-N 313.441 3.870 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1cc(F)ccc1C 9417778 INMHXIJXKWWJHE-UHFFFAOYSA-N 311.360 3.685 0 40 DHAB O=C(Nc1ccncc1)c1cc(-c2ccc3c(c2)CCCC3)on1 9422734 PSSWVEZUBSDQHG-UHFFFAOYSA-N 319.364 3.868 0 40 DHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)NC1CCCC1 9874352 GVFAKUWTGJGNNI-UHFFFAOYSA-N 305.809 3.606 0 40 DHAB COc1ccc2nc(C(=O)Nc3ccccc3OC)ccc2c1 9953236 BIWTZBCZVQSWAE-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB Cc1c(CN(Cc2ccc(F)cc2)Cc2ccco2)cnn1C 12186678 OZOIXLACKZUSDW-UHFFFAOYSA-N 313.376 3.663 0 40 DHAB COc1ccccc1-c1noc(CN2c3ccccc3C[C@H]2C)n1 12555351 YWTZZWRJTMNNGN-CYBMUJFWSA-N 321.380 3.696 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 12979936 WWFIAXDMGLNXHU-IBGZPJMESA-N 323.440 3.954 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1ccoc1C)O[C@@H](C)C2 13006489 CLOFQTBHPSWWEI-JTQLQIEISA-N 301.342 3.562 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(F)cc2C)c(OC)c1 13937315 SMINOMFNZXEDPM-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB O=C(NCCSc1ccccc1)c1cccc2cccnc12 15136993 OJNNPTCBTUVLFT-UHFFFAOYSA-N 308.406 3.757 0 40 DHAB Cc1cccnc1NC(=O)c1cc(F)ccc1Br 19814936 HTKSKDMLAZTPJI-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB Cc1cc(C)cc(NC(=O)COc2nc(C)nc3ccccc23)c1 21361065 SOUPLIVVRRIUTA-UHFFFAOYSA-N 321.380 3.573 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1cnc2ccccc2n1 21898116 MXMJKLHBHJVELN-UHFFFAOYSA-N 303.365 3.531 0 40 DHAB O=Cc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 22120856 IFYTZCHEIAERAR-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB CC(C)Cc1noc(Cn2c(C(F)(F)F)nc3ccccc32)n1 23107760 RXPPXHGWCZUILD-UHFFFAOYSA-N 324.306 3.685 0 40 DHAB CCN1CCCc2cc(CCNC(=O)Nc3ccccc3)ccc21 23144046 NUZHHGRVVILCST-UHFFFAOYSA-N 323.440 3.823 0 40 DHAB CC(=O)c1sc(NC(=O)c2ccoc2)nc1-c1ccccc1 24470316 QSPGDQOKNDYLIF-UHFFFAOYSA-N 312.350 3.858 0 40 DHAB CN(C)Cc1ccccc1NC(=O)c1cc2ccccc2cc1O 24811915 FWUWEFXZLYLVBQ-UHFFFAOYSA-N 320.392 3.859 0 40 DHAB Cc1ccc(OC[C@H](O)CN2CCCCC2)c(C(C)(C)C)c1 26781083 VJCMXUCBOXMTLY-MRXNPFEDSA-N 305.462 3.518 0 40 DHAB CCn1ccc(NC(=O)C(c2ccccc2)c2ccccc2)n1 27929961 FCPXIVGLJRDGNZ-UHFFFAOYSA-N 305.381 3.674 0 40 DHAB CC(C)CCC[C@@H](C)NC(=O)Cc1csc(-n2cccc2)n1 30819444 ZQLXFPKSILOHEQ-CQSZACIVSA-N 319.474 3.807 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(OC(F)F)cc1 32764620 ZHWHVJKXKOVOQE-ANYFNZRUSA-N 307.296 3.772 0 40 DHAB Cc1cc([C@@H]2CCCN2Cc2coc(-c3ccccc3)n2)on1 44975780 GQVNTKYRMQONLG-INIZCTEOSA-N 309.369 3.975 0 40 DHAB Cc1noc(C)c1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccccc1 49546601 IZCGXAARCAUZKG-CQSZACIVSA-N 322.368 3.660 0 40 DHAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)cc1 55675402 XMDXKAGXJNFYDB-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB COc1ccccc1S[C@@H](C(=O)NC1CC1)c1ccccc1 58249510 DSOYHWZUDZUHJP-QGZVFWFLSA-N 313.422 3.807 0 40 DHAB C#CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 65997175 IPMNRCQHODJEGY-UFFVCSGVSA-N 319.286 3.558 0 40 DHAB Cc1nn(C)cc1-c1csc(C[C@H](C)n2cc(Cl)cn2)n1 70007694 XDJJKJNVCNYLLA-VIFPVBQESA-N 321.837 3.506 0 40 DHAB Cc1cc(F)ccc1NC(=O)N[C@H](CCCO)c1ccccc1 71921087 JXEOWYDMAPEFDW-QGZVFWFLSA-N 316.376 3.769 0 40 DHAB CCO[C@@H](C)C(=O)Nc1ccccc1N1CCc2ccccc21 72010880 SMAZGSXRPCKQNM-AWEZNQCLSA-N 310.397 3.744 0 40 DHAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ncc(C(C)(C)C)o1 72253572 QAJXZFNKPRZJID-CQSZACIVSA-N 316.449 3.660 0 40 DHAB COc1ccc(C(=O)N2CCC(c3cccs3)CC2)cc1 75157013 ZFOODRSFLLUNFH-UHFFFAOYSA-N 301.411 3.777 0 40 DHAB Cc1nc(CSCc2nc(-c3cccs3)no2)cs1 78555673 SRPFUINJKNJBCE-UHFFFAOYSA-N 309.441 3.996 0 40 DHAB Cn1c(SCC(=O)O)c2c3c(cccc31)C(=O)c1ccccc1-2 85409609 CISUFUHABIDKMD-UHFFFAOYSA-N 323.373 3.566 0 40 DHAB CN1CCC[C@H]1CCN1CCC[C@@H]1Cc1ccccc1Cl 89375358 BVZYSOXWRMOXCQ-DLBZAZTESA-N 306.881 3.831 0 40 DHAB COc1ccc(NC(C)=O)c(NCc2csc(C(C)C)n2)c1 89893562 IQPYPPMZKHFBFP-UHFFFAOYSA-N 319.430 3.846 0 40 DHAB Cc1occc1C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95418204 IPLGWZSFLSGKSH-GDBMZVCRSA-N 317.385 3.690 0 40 DHAB COc1ccc([C@@H](C)[C@@H](C)NCCc2ncc(C)s2)cc1 95423298 VRDJJHUMCQFDFW-UONOGXRCSA-N 304.459 3.784 0 40 DHAB Cc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)ncn1 95439133 VTBYSHMWQFNQCA-UHFFFAOYSA-N 324.409 3.778 0 40 DHAB CN(Cc1ccco1)[C@H]1CCC12CCN(Cc1ccoc1)CC2 96051549 YSJOEEVONOSNIU-SFHVURJKSA-N 314.429 3.749 0 40 DHAB CC[C@H](NC(=O)Nc1cc(F)c(OC)c(F)c1)c1ccncc1 96434178 POARGWWRCQNQKU-AWEZNQCLSA-N 321.327 3.641 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 100625694 FARHPXZIPDYPBO-KQTLUZQSSA-N 321.848 3.968 0 40 DHAB CC(C)Oc1cccc(NC(=O)COc2ccccc2F)c1 222774969 VCUCIVMBXWNXDW-UHFFFAOYSA-N 303.333 3.630 0 40 DHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)s1 222813797 SHGAWPDJKNDGGW-CABCVRRESA-N 317.483 3.832 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)cc2C)cc1 224691086 YFBIZZTYGOEYQW-UHFFFAOYSA-N 303.427 3.745 0 40 DHAB CCOCc1cc(C(=O)NCc2ccccc2)ccc1OCC 224692569 VMWNZVZWPMUJBV-UHFFFAOYSA-N 313.397 3.552 0 40 DHAB Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(F)cc1 224913179 WEQRCPFBMUPZPE-UHFFFAOYSA-N 313.781 3.613 0 40 DHAB CC(C)c1ccoc1C(=O)NCc1cccc(-c2cnn(C)c2)c1 225811458 HICGUAVACIBCKX-UHFFFAOYSA-N 323.396 3.734 0 40 DHAB Cc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)nc1 225872575 HZQZYVZRFBCVTQ-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB Cc1csc(NC(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)n1 227165998 RVNDQRHYGJLMOV-GFCCVEGCSA-N 312.398 3.515 0 40 DHAB COC(=O)CCCC(=O)c1cc(OC(F)(F)F)ccc1Cl 575361543 QAZGKOOBZXQMNN-UHFFFAOYSA-N 324.682 3.765 0 40 DHAB Cc1cnc(C)c(OC2CCN([C@@H](C)c3ccccc3)CC2)n1 2087136710 LDTPLMGSBNRUPL-INIZCTEOSA-N 311.429 3.698 0 40 DHAB c1ccc(CC2CCN(Cn3cnc4ccccc43)CC2)cc1 193710 STEIURKEUZAMPH-UHFFFAOYSA-N 305.425 3.949 0 40 DHAB O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccccc1 210056 QDYMHZHYDQJVLN-UHFFFAOYSA-N 315.394 3.968 0 40 DHAB Cc1cccc(C)c1NC(=S)NC(=O)c1cccc(F)c1 361269 AHEOIVMTQVXTQW-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB CCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1O 496259 QAZSBLMMDOZCIP-UHFFFAOYSA-N 315.398 3.791 0 40 DHAB C[C@@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 1922170 SSYLFLPFSBWWAA-SNVBAGLBSA-N 321.735 3.663 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)c(C)c1 1993306 GNGOVQBHWQYZRL-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Clc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1 3016347 ARLGKYKTCGLUHU-UHFFFAOYSA-N 324.815 3.610 0 40 DHAB C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C 3830796 CHNXZKVNWQUJIB-FLNLFJTMSA-N 312.453 3.883 0 40 DHAB Cc1ccc(CSC2=NCCN2C(=O)c2cccs2)cc1 4120416 SWAHOWXZIZHKGD-UHFFFAOYSA-N 316.451 3.802 0 40 DHAB O=C(Nc1cc(Cl)ccn1)c1c(F)c(F)c(F)c(F)c1F 4652598 MVQXZPAJSTVTLT-UHFFFAOYSA-N 322.620 3.683 0 40 DHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(C)cc1 4909969 MFCJLLURRMXQPZ-SFHVURJKSA-N 321.380 3.933 0 40 DHAB Cc1nc(SCc2cccc(C(F)(F)F)c2)[nH]c(=O)c1C 5155305 GXHLTHJDGVSOCQ-UHFFFAOYSA-N 314.332 3.698 0 40 DHAB Cc1c(C(=O)Nc2ccccc2F)oc2c1[C@@H](O)CC(C)(C)C2 5305310 BZMOCODERMXTSV-ZDUSSCGKSA-N 317.360 3.985 0 40 DHAB COc1cccc(/C=C/C(=O)Nc2ccccc2OC(F)F)c1 5512289 SKEPHVHQSCHNQZ-MDZDMXLPSA-N 319.307 3.949 0 40 DHAB COC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(C)c1 5795935 FYIBMEDFKTXCAT-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB Cc1cccc(OCCSc2nnc3[nH]c4ccccc4n23)c1 6506647 UHRPWDGEORWLBK-UHFFFAOYSA-N 324.409 3.690 0 40 DHAB CCOc1ccccc1CCC(=O)Nc1ccc(F)cc1F 7134645 KUWJSNXOLRABHR-UHFFFAOYSA-N 305.324 3.935 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)CCCC3)s1 7145070 BZLCGUVXQCIITQ-UHFFFAOYSA-N 314.406 3.975 0 40 DHAB Cc1c(Cl)cccc1NC(=S)NCC(C)(C)CN(C)C 7526607 RURNEPIKOWLJGC-UHFFFAOYSA-N 313.898 3.523 0 40 DHAB O=C(NCCSCc1ccccc1)c1ccc2ccccc2n1 7642392 FGZJRLCSRHMVNB-UHFFFAOYSA-N 322.433 3.898 0 40 DHAB CC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)c(F)c1 7643721 HYSXCWQKDXTDMK-UHFFFAOYSA-N 305.378 3.508 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1ccccc1SC 8168700 DTDHZTLSVYNTPZ-UHFFFAOYSA-N 303.383 3.678 0 40 DHAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)C1CCC1 9466867 GUSIWAPGKRUMJM-UHFFFAOYSA-N 315.373 3.941 0 40 DHAB COc1ccc(OC)c(NC(=O)c2ccccc2OC(F)F)c1 9602973 FUNKYIWJXLEVJS-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1ccccc1C(F)(F)F 12849435 FRIDMCJMNIBEGV-UHFFFAOYSA-N 312.316 3.903 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1cccc(C)c1)O[C@H](C)C2 12972158 BYVIVIGKKDNYFA-CYBMUJFWSA-N 311.381 3.969 0 40 DHAB COc1ccccc1CN(C)C(=O)c1cc2ccccc2cc1O 12996394 YIMIAGDQVPXBJS-UHFFFAOYSA-N 321.376 3.826 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccccc1OC 15966588 OIODHXXMQHNZQJ-WMLDXEAASA-N 313.397 3.730 0 40 DHAB CC(C)(C)OC(=O)NCCC(=O)Nc1ccc2ccccc2c1 16598936 JZOKSFSUHVFKCA-UHFFFAOYSA-N 314.385 3.693 0 40 DHAB Cc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1C 16985178 OXXWZFNFQHYHRG-UHFFFAOYSA-N 309.409 3.990 0 40 DHAB CCC[C@@H](NC(=O)[C@H](C)Sc1ncccn1)c1ccccc1 21174262 UUNZHLLBYHWZLV-DZGCQCFKSA-N 315.442 3.615 0 40 DHAB Cc1ccc(C(=O)Nc2cnn(Cc3ccccc3C)c2)s1 27920373 BUUMQQSEGRESIJ-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB CC(C)c1nc(COc2ccc(Cl)cc2C(N)=O)cs1 31653764 OFLGFWHYESIQAK-UHFFFAOYSA-N 310.806 3.598 0 40 DHAB CN(C)c1ncccc1C(=O)Nc1cc(Cl)cc(Cl)c1 31664717 MYACTUPZNWOFFR-UHFFFAOYSA-N 310.184 3.707 0 40 DHAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)c1ccccc1 31788033 NBYAJIIHQYOVRS-SECBINFHSA-N 315.423 3.637 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1 32754254 WCMPEGINHWPHGY-UHFFFAOYSA-N 320.751 3.619 0 40 DHAB C[C@@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)C 32883826 UVXWZAALQARZGF-SECBINFHSA-N 310.806 3.564 0 40 DHAB COc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1C 33418549 DBAADACCVRDGCG-UHFFFAOYSA-N 316.382 3.695 0 40 DHAB Brc1cc(NCc2ccccc2)cc2nonc12 35323606 CNRJMPIFLVNQKK-UHFFFAOYSA-N 304.147 3.597 0 40 DHAB CCCNc1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 36614157 LEJZMMWYBAVYPK-UHFFFAOYSA-N 311.307 3.993 0 40 DHAB CN(Cc1ccc(F)cc1)C(=O)Cc1ccc(-n2cccc2)cc1 40079522 IIHKYTAODDNWNL-UHFFFAOYSA-N 322.383 3.818 0 40 DHAB Clc1ccc(OC[C@H]2CCNC2)c(Cc2ccccc2)c1 42773750 GRQYWKPTPRCABS-HNNXBMFYSA-N 301.817 3.919 0 40 DHAB COc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 71831367 WEFCMMMGVBFCMX-HNNXBMFYSA-N 324.424 3.673 0 40 DHAB Cc1cc(=S)[nH]cc1C(=O)CCCCNC(=O)OC(C)(C)C 72218360 NLKZOFWVRYLMBD-UHFFFAOYSA-N 324.446 3.930 0 40 DHAB c1csc(-c2nc(N3CCCCC3)ncc2-c2cnccn2)c1 72340278 JQSARPVVVJZKSU-UHFFFAOYSA-N 323.425 3.652 0 40 DHAB CC(C)Cc1noc(CNc2ccccc2OCC2CC2)n1 77246911 ISIYZGVCLMTZON-UHFFFAOYSA-N 301.390 3.669 0 40 DHAB CCn1cc(CNCc2ccc(C)cc2OC(C)(C)C)cn1 83843580 OMKAKTAJLULAJA-UHFFFAOYSA-N 301.434 3.679 0 40 DHAB Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)n1Cc1cccs1 84080241 SZFOLHBYWFUMHD-GFCCVEGCSA-N 302.443 3.743 0 40 DHAB O=C(Nc1cnc2ccccc2n1)c1cccc(F)c1Cl 84605633 JCFXTAHAIUHPBC-UHFFFAOYSA-N 301.708 3.675 0 40 DHAB CC(C)COc1ccc(CC(=O)N[C@@H](C)c2ccncc2)cc1 89840309 CDUBVNYEQKKJDC-HNNXBMFYSA-N 312.413 3.536 0 40 DHAB C[C@@H](CSc1ccc(F)cc1)C(=O)N1C[C@H]2CC=CC[C@H]2C1 95964766 PYVQELVYBABQAQ-SOUVJXGZSA-N 319.445 3.979 0 40 DHAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](C(C)C)S1 96118039 SEOCZJVLWDBOQT-DGCLKSJQSA-N 323.462 3.800 0 40 DHAB COc1ccc(NC(C)=O)c(NCc2ccc(Cl)s2)c1 96453405 UGQYLFUYUHXKJR-UHFFFAOYSA-N 310.806 3.981 0 40 DHAB CC1CCC(CN(C)C(=O)NC[C@H]2CCO[C@@H]2C(C)C)CC1 97012054 OOGQGRLYLLMNAG-BHUNQDJPSA-N 310.482 3.515 0 40 DHAB CC(C)(C)C(=O)N1CCC(Nc2cnc3ccccc3c2)CC1 97140130 PDTYFTHUOCIOQD-UHFFFAOYSA-N 311.429 3.684 0 40 DHAB Oc1cc(Cc2ccccc2)nn1-c1nc2ccccc2s1 101345802 CLNWXTBDTYXFJH-UHFFFAOYSA-N 307.378 3.778 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987011 WWTOWJSXIYROPR-XNDJQWLSSA-N 313.228 3.943 0 40 DHAB O=C(c1ccsc1)N(Cc1cccs1)C1CCOCC1 206674269 UDKQCUWMDVPASB-UHFFFAOYSA-N 307.440 3.631 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2)cc1C 219511975 HXPLKZDATVUSHA-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB O=C(Cc1ccc(Cl)cc1F)NCc1ccccc1Cl 223796587 FGJXPQZAFQFLRM-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB COc1ccccc1O[C@H](Cc1ccc(C(C)C)cc1)C(=O)O 225046032 FSUXBTCJJFRWQM-GOSISDBHSA-N 314.381 3.893 0 40 DHAB CC[C@@H](C)NC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 225211751 IAXXMSVBIPPFRK-SECBINFHSA-N 322.455 3.773 0 40 DHAB CCOC(=O)c1ccc(Nc2cc(C)ccc2OC)c(N)c1 225433858 ZKBNEANSOJKWDU-UHFFFAOYSA-N 300.358 3.506 0 40 DHAB O=C(NCc1ccc(Oc2nccs2)cc1)[C@@H]1CC=CCC1 225647309 AOYXMSFRTLCLQZ-CQSZACIVSA-N 314.410 3.908 0 40 DHAB COc1ccccc1NC(=O)Nc1nnc(SC(C)C)s1 225770908 GXIUYQNSFGLHGU-UHFFFAOYSA-N 324.431 3.691 0 40 DHAB CO[C@H](CNC(=O)c1cccs1)c1cc2ccccc2o1 253472234 KLUQNHRFUUHVPR-CQSZACIVSA-N 301.367 3.612 0 40 DHAB CC(C)c1cc(C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)cs1 257267714 MIMYPMRLKPPHDK-UNEWFSDZSA-N 307.459 3.637 0 40 DHAB CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2)O[C@@H]2CCCC[C@@H]12 257289608 PZKQLIJAQMOTCV-YLFCFFPRSA-N 307.821 3.865 0 40 DHAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 408619129 GEUVDFWVCSZRAL-RBJBARPLSA-N 322.191 3.695 0 40 DHAB O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)n1ccnc1 408734328 NSXJVKPGQITTFR-INIZCTEOSA-N 311.772 3.765 0 40 DHAB CC(C)(C)O[C@@H](C(=O)NC/C=C/c1cccnc1)c1ccccc1 521394300 HVPJZTDCIUHSMP-XSFOEPMVSA-N 324.424 3.767 0 40 DHAB OCc1cc2ccccc2nc1NCCc1cc2ccccc2o1 583089018 GTFVBXYIHOJHJA-UHFFFAOYSA-N 318.376 4.128 0 40 DHAB O=C(CCN1CCCC1)Nc1ccc(OCc2ccccc2)cc1 380730 WVACRQSIDOGFRJ-UHFFFAOYSA-N 324.424 3.690 0 40 DHAB CCSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 507967 UOXPJRIDRYECIL-MRVPVSSYSA-N 304.444 3.576 0 40 DHAB CCc1cccc2c(C(=O)COC(=O)c3ccccc3)c[nH]c12 2661103 UGNRNQBDZWLGRU-UHFFFAOYSA-N 307.349 3.770 0 40 DHAB CC(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1 3288862 SJOXDCSPACMBMD-UHFFFAOYSA-N 301.367 3.552 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1C 3443234 KFCFLJUBMDKTEH-UHFFFAOYSA-N 315.344 3.546 0 40 DHAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1F 3503620 ITBRTTSMIBETMU-SNVBAGLBSA-N 315.373 3.821 0 40 DHAB Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 3552170 RAVWARDHUGOPBH-UHFFFAOYSA-N 308.425 3.574 0 40 DHAB Cc1c(C(=O)C(=O)NC2CCCCCC2)c2ccccc2n1C 4062518 MTKYHZMZOIRKOU-UHFFFAOYSA-N 312.413 3.508 0 40 DHAB CSc1ccccc1-c1nnc(NC(=O)c2cccs2)o1 5240171 SRCQLKRVBHDEDH-UHFFFAOYSA-N 317.395 3.772 0 40 DHAB COC(=O)CCCCCCCCCCC(=O)CCCCO 5320126 WYKLZIYLCPIUBK-UHFFFAOYSA-N 300.439 3.792 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1 5528762 FJHBRXOGZWKUSQ-CQSZACIVSA-N 317.816 3.856 0 40 DHAB CCCCOC(=O)c1ccc(NC(=O)Cc2cccs2)cc1 6274389 JVFQDOMVLVSZGJ-UHFFFAOYSA-N 317.410 3.886 0 40 DHAB CC(C)c1c(C(=O)NC2CC2)cnn1-c1ccc(Cl)cc1 6696579 GOAFFKJOMBEIBJ-UHFFFAOYSA-N 303.793 3.541 0 40 DHAB CCc1ccc(NC(=S)NCCCN2CCC(C)CC2)cc1 7027253 JJFHQWBRWQKELH-UHFFFAOYSA-N 319.518 3.657 0 40 DHAB O=S(=O)(Nc1ccc2ccccc2c1)c1cccc(F)c1 7053599 XZSNFLNTURUKRC-UHFFFAOYSA-N 301.342 3.780 0 40 DHAB COc1ccc2cc(C(=O)N[C@@H](C)c3ccccn3)ccc2c1 7736028 CQIOVYKMVIOWSO-ZDUSSCGKSA-N 306.365 3.734 0 40 DHAB CC(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2Cl)cc1 7952925 DHYOCKHFVRZXST-UHFFFAOYSA-N 316.788 3.902 0 40 DHAB CC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1F 11723805 LEAYRQPIQANRAN-UHFFFAOYSA-N 320.751 3.732 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 12348113 GLLDWAGGOTYUJU-UHFFFAOYSA-N 303.745 3.528 0 40 DHAB C[C@H](NC(=O)N[C@H](C)c1ccccn1)c1cccc(Cl)c1 12545861 OBNRBYRQHFGOAV-NWDGAFQWSA-N 303.793 3.856 0 40 DHAB CC1CCN(c2nc(-c3ccccc3)nc(Cl)c2N)CC1 12739703 LIPZRIJVWMXXTN-UHFFFAOYSA-N 302.809 3.616 0 40 DHAB COc1ccc2cc(C(=O)NCCc3cccs3)ccc2c1 12924510 QFBQYJMQNJKPRB-UHFFFAOYSA-N 311.406 3.882 0 40 DHAB Cc1nc2cc(NC(=O)COc3cccc(Cl)c3)ccc2o1 12997887 DMQOFJKHNLTBHP-UHFFFAOYSA-N 316.744 3.807 0 40 DHAB COc1cccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2)c1 13131743 GOKQIVPYTRFBLZ-ZWKOTPCHSA-N 320.396 3.741 0 40 DHAB COc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cn1 15658632 BNOKOEZSWGGPQZ-UHFFFAOYSA-N 315.131 3.788 0 40 DHAB CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 16130200 NBYRYVPOYQMTKZ-UHFFFAOYSA-N 313.781 3.842 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1 21596405 XCPYVSLTYJTTIY-UHFFFAOYSA-N 302.374 3.515 0 40 DHAB O=C(Nc1ccc(Cl)cn1)c1csc(-c2ccco2)n1 29600372 IWPNJXLUDBRLHY-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB Clc1ccc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 30824109 IWGLVWZGOLHCQE-UHFFFAOYSA-N 314.728 3.828 0 40 DHAB CCCCC/C=C\C/C=C\[C@@H](O)C[C@H](O)CCCCC(=O)O 31159413 JEJFTAIQLBEZLI-VUTPYUAWSA-N 312.450 3.826 0 40 DHAB biogenic,in-vitro Cc1ccc2nc(NC(=O)[C@H](C)OCC(F)(F)F)sc2c1 31675524 HUMCQKBABXTNEQ-QMMMGPOBSA-N 318.320 3.511 0 40 DHAB Cc1ccccc1OCC(=O)NCc1ccccc1C(F)(F)F 32610980 YBSJJEBNBVZOOL-UHFFFAOYSA-N 323.314 3.709 0 40 DHAB CCCCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39762816 FRDFOKHUTWEVRM-UHFFFAOYSA-N 322.880 3.858 0 40 DHAB C[C@H](NC(=O)COCc1ccccc1Cl)c1ccccc1F 40141144 ZBMSKRBDYVANFR-LBPRGKRZSA-N 321.779 3.873 0 40 DHAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@@H]1c1ccsc1 48355897 FAABAIREPQWXPS-SWLSCSKDSA-N 304.415 3.819 0 40 DHAB O=C(Nc1nccs1)N1CCC[C@H]1Cc1ccc(F)cc1 52460469 AWYJURFXOMSDLQ-ZDUSSCGKSA-N 305.378 3.521 0 40 DHAB CCOCCOc1c(Cl)cccc1NCc1cc(C)on1 60186518 GAYVBPXZYMHAJP-UHFFFAOYSA-N 310.781 3.664 0 40 DHAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccccc1F 62093907 WGCDJGSNSUCIDS-UHFFFAOYSA-N 324.355 3.762 0 40 DHAB Cc1ccc2c(cnn2C(=O)OC(C)(C)C)c1Br 66322799 GQRYROVGFBSASA-UHFFFAOYSA-N 311.179 3.890 0 40 DHAB Cc1cnc(-c2cccc(NC(=O)COCc3ccccc3)c2)o1 66812453 HXEVXLOYASDZJE-UHFFFAOYSA-N 322.364 3.805 0 40 DHAB CSc1ccc(C)c(C(=O)Nc2cccc([S@](C)=O)c2)c1 71893530 CCVMFZXLSDNKKR-OAQYLSRUSA-N 319.451 3.707 0 40 DHAB CCCN1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214320 NFLSYUTZKQRFTB-AWEZNQCLSA-N 305.422 3.976 0 40 DHAB C[C@@H]1CCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 72292858 KVEPKZOURQZPEW-FZKQIMNGSA-N 324.465 3.519 0 40 DHAB Cc1ccc(S(=O)(=O)N2C[C@H](C)Sc3ccccc32)cc1 79073701 XZUMBONGXRCRMR-ZDUSSCGKSA-N 319.451 3.685 0 40 DHAB c1ccc2c(c1)SCC[C@H]2NCc1ccnc(-n2cccn2)c1 95420076 FHLWWHHLXFSYMM-MRXNPFEDSA-N 322.437 3.594 0 40 DHAB CCOC(=O)CC[C@H]1CCCCN1c1nc2cc(C)ccc2o1 95437238 KTGPPGKSNJCLPN-CQSZACIVSA-N 316.401 3.838 0 40 DHAB CCCC(=O)c1ccc(OCC(=O)OCC)c(Cl)c1Cl 95864722 PBVGBFWAEFWKMK-UHFFFAOYSA-N 319.184 3.918 0 40 DHAB in-vitro O=C1C[C@H](c2ccc(Cl)cc2)c2c(ccc3nsnc23)O1 96231118 BJFKXQPKYVXCRO-SNVBAGLBSA-N 316.769 3.786 0 40 DHAB CCSc1ccccc1OCC(=O)N[C@@H](C)c1ccco1 96484708 YMADVJOZLZJQIE-LBPRGKRZSA-N 305.399 3.648 0 40 DHAB O=C(OCc1cncs1)c1ccc(Oc2cccnc2)cc1 97050208 FBFHFHPUQVTKDP-UHFFFAOYSA-N 312.350 3.687 0 40 DHAB O=C(c1cscn1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166476 YGJXXOKCXKOVOJ-HUUCEWRRSA-N 316.401 3.833 0 40 DHAB C[C@@H]1[C@@H]2CC[C@@H]([C@@H]1OC[C@H](O)CSc1ccccn1)C2(C)C 101247594 TWDXDPVWDPRXGY-JLHDYFKBSA-N 321.486 3.622 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)NCCCc1ccccc1Cl 219484306 AABHWZZKUCRSPC-CQSZACIVSA-N 317.816 3.856 0 40 DHAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCC1(CC1)CO2 225366477 VCKWGYRYJDAULX-UHFFFAOYSA-N 323.392 3.510 0 40 DHAB Cc1ccc2cc(CNc3cccc([S@@](C)=O)c3)ccc2n1 225465109 JTAKZDHKJIUAPG-JOCHJYFZSA-N 310.422 3.893 0 40 DHAB O=C(NCc1ccc(-c2ccco2)nc1)c1ccccc1Cl 225751976 CWBFRGWJWUNQFS-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB CCOc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)cc1 226754466 QBBGDLKFBXOZKZ-UHFFFAOYSA-N 321.380 3.832 0 40 DHAB CC[C@@H]1C[C@H](Cc2nc(COc3ccccc3F)no2)CCO1 252507466 WMNIBLFOTYPBFB-CHWSQXEVSA-N 320.364 3.535 0 40 DHAB O=C(N[C@@H]1CCC[C@@H](F)C1)[C@H]1CCN(c2ccccc2Cl)C1 582063972 OAVBZJCZSYUIMG-BFHYXJOUSA-N 324.827 3.563 0 40 DHAB CCN(CC)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 364273 VRSDWHXUZQJOKF-UHFFFAOYSA-N 318.442 3.642 0 40 DHAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1 383056 YWFIXCGNWMHCTQ-CQSZACIVSA-N 301.361 3.503 0 40 DHAB O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCCC1 386112 ZEVBOEDJZZOGNS-UHFFFAOYSA-N 310.806 3.586 0 40 DHAB O=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 1453066 ITKCHXKCMQGZJP-CQSZACIVSA-N 301.342 3.637 0 40 DHAB C[C@@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)C1CCCC1 1683409 CNFNVXPDSNSPKW-QFBILLFUSA-N 315.457 3.988 0 40 DHAB Cn1c2ccccc2c2ncn(CCC3=CCCCC3)c(=O)c21 2334356 HSEJDGIXLGYDCJ-UHFFFAOYSA-N 307.397 3.779 0 40 DHAB CCC(=O)c1ccccc1OCC(=O)Nc1c(C)cccc1C 3217562 YTIJOOYFAIEBHO-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 3551666 JRTRSCOXVLKQCT-LLVKDONJSA-N 307.752 3.563 0 40 DHAB CCOC(=O)[C@H]1CN[C@H](c2ccccc2)C[C@@H]1c1ccccc1 3845405 VRGSYPCBWQRFQZ-QYZOEREBSA-N 309.409 3.684 0 40 DHAB Cc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4070352 SGGWYDUJTLEOJO-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O=C(CSc1ncnc2sccc12)Nc1ccccc1F 4313395 MNUWVXWVMNKTQR-UHFFFAOYSA-N 319.386 3.561 0 40 DHAB C[C@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 4416228 KMIMUNJWKNUUOF-NEWSRXKRSA-N 313.441 3.764 0 40 DHAB Cc1cccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 5169639 RQIRMEKQZHARQM-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(C)c(OC)c2)cc1OC 7435615 RRXKVSNFYMHUOL-UHFFFAOYSA-N 315.369 3.663 0 40 DHAB Cc1ccc(CNC(=O)CCC(=O)c2ccc(Cl)s2)cc1 9882347 WWPBPCVCXOSMKE-UHFFFAOYSA-N 321.829 3.989 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@H]1c1cc2cccnc2[nH]1 12236398 GUWPFAWPUBIUGD-INIZCTEOSA-N 309.344 3.679 0 40 DHAB O=C1CSC(/C(=C/c2ccccc2)c2nc3ccccc3[nH]2)=N1 12948822 NNMKULLTADOZFY-JLHYYAGUSA-N 319.389 3.775 0 40 DHAB CCc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)cc1 13132141 LZSJKABBTONJNC-IAGOWNOFSA-N 319.412 3.569 0 40 DHAB Cc1cc(=O)oc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 16266750 ACXUIYHSMHNIHH-UHFFFAOYSA-N 308.259 3.614 0 40 DHAB CCn1cc(CN2CCCCC[C@@H]2c2cc(C)no2)c(C)n1 19524542 CIYNPUNMHSDXSO-MRXNPFEDSA-N 302.422 3.625 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1c(F)cccc1Cl 20836777 OGMFGHWJFZHCFR-LLVKDONJSA-N 303.764 3.999 0 40 DHAB COCc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 23387324 IOJZGVDZNFQTQR-KGLIPLIRSA-N 315.335 3.684 0 40 DHAB CCOC(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12 26840036 RKFYYMREZGSLPU-UHFFFAOYSA-N 308.381 3.724 0 40 DHAB Brc1c(COc2ccccc2)nc2ccccn12 27093265 GDEBBAZPJQTKMS-UHFFFAOYSA-N 303.159 3.676 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(NC(=O)C2CC2)cc1 27305208 DTUHDQZZYJDMLS-NHAQELONSA-N 324.380 3.519 0 40 DHAB COc1ccc(OC[C@@H](O)CNc2ccc(Cl)cc2)c(C)c1 28580836 XZULTPXNBRNUHX-HNNXBMFYSA-N 321.804 3.509 0 40 DHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc2ncsc2c1 32722147 SEZLTABPYWWKRV-CYBMUJFWSA-N 310.378 3.550 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)N[C@@H](C)c1cccc(F)c1 40067887 VROKXFAUNDPBGI-STQMWFEESA-N 304.365 3.800 0 40 DHAB CC(C)(C)c1ccc(OCc2n[nH]c(-c3ccncc3)n2)cc1 40169617 RBBZVMVWRMDGQA-UHFFFAOYSA-N 308.385 3.743 0 40 DHAB Cc1ccc([C@H](O)CNC(=O)Nc2c(C)cc(C)cc2C)cc1 40525450 BGVFWCKSIXGZFT-QGZVFWFLSA-N 312.413 3.775 0 40 DHAB Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1Cl 41091868 CJHRRQYVKVTQSC-YGRLFVJLSA-N 301.839 3.505 0 40 DHAB NC(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl 41127240 ZVOBEAFWAOLONG-UHFFFAOYSA-N 321.163 3.829 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 43875124 LHBZWLPDUZKIKB-CYBMUJFWSA-N 317.433 3.525 0 40 DHAB CCc1ccc2oc(-c3ccc(OC)c(-n4cnnc4)c3)nc2c1 45920704 BADJJJSUVQNPFP-UHFFFAOYSA-N 320.352 3.647 0 40 DHAB Cc1ccccc1[C@@H]1CCCN1CC(=O)N(C)c1ccccc1 52212599 NVTGRPWDXDGODU-IBGZPJMESA-N 308.425 3.795 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2ccccc2Cn2ccnc2)c1 58050870 DJFGURAQJRDIOJ-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB COc1ccc(NC(=O)c2ccccc2OC(C)C)cc1OC 66197861 IKOPAAVQEYSKQC-UHFFFAOYSA-N 315.369 3.743 0 40 DHAB CC(C)(C)n1cc(NC(=O)c2ncoc2-c2cccs2)cn1 71886402 VSBPUJXARMWRFH-UHFFFAOYSA-N 316.386 3.607 0 40 DHAB CCN(CC1CC1)c1nc(C(C)C)nc2c(C)nn(CC)c12 72238362 MIUYWDUFUGKBFZ-UHFFFAOYSA-N 301.438 3.514 0 40 DHAB O=C(Nc1ccc(Br)cc1F)N1C[C@@H]2CCC[C@@H]21 75110192 NXFNZAGHQTVHKC-UFBFGSQYSA-N 313.170 3.604 0 40 DHAB NC(=O)[C@@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1 76083932 NUMNUZXLDRYEQG-SFHVURJKSA-N 319.364 3.512 0 40 DHAB C[C@H](c1ccco1)N(C)C(=O)Nc1cccc(-c2nccn2C)c1 77446161 VWWPTXRHEYYOFE-CYBMUJFWSA-N 324.384 3.905 0 40 DHAB Cc1ccsc1[C@@H]1SCC(O)=Nc2c1c(O)nn2C(C)C 79490593 LEXYWPPRIKJAMO-GFCCVEGCSA-N 323.443 3.964 0 40 DHAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 84651712 VUKISEOFLRYWCN-VIFPVBQESA-N 323.801 3.664 0 40 DHAB COc1ccc2c(c1)[C@@H](NCc1ccc(O)c(F)c1)CCCO2 95422886 QCSBOGZHVZDIJQ-INIZCTEOSA-N 317.360 3.543 0 40 DHAB O=c1cc(NCc2csc3ccccc23)nc2ccccn12 95951821 WNEMSVAQNMGQHY-UHFFFAOYSA-N 307.378 3.521 0 40 DHAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1nc(C)c(C)o1 95961161 RAEPBLQCNFYILE-CABZTGNLSA-N 322.434 3.578 0 40 DHAB C[C@H](NC[C@](C)(O)c1ccsc1)c1nc2ccccc2s1 95968350 RFEAHHHXQUKTMJ-ZBEGNZNMSA-N 318.467 3.916 0 40 DHAB O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cccs1 96417235 HIONRNKNEGPHFV-GFCCVEGCSA-N 320.389 3.730 0 40 DHAB C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)c1cccc(F)c1Cl 96443098 RFXFPEJNZPIYAK-NXEZZACHSA-N 307.756 3.676 0 40 DHAB C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1csc2ccccc12 108105625 UFXWALSGDLIUJM-RBDSIQFVSA-N 316.426 3.581 0 40 DHAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@H](C)CSC(C)(C)C)C1 110688805 YXAPHSUDXGTWLZ-QJNYJZHLSA-N 305.553 3.576 0 40 DHAB CC1=CCC[C@H](C)[C@H]1CNC1CCN(C(=O)CC(C)C)CC1 191096318 QJYXBDCTBAXQDV-WMZOPIPTSA-N 306.494 3.606 0 40 DHAB O=[S@](CC[C@H]1CCCO1)Cc1ncc(-c2ccccc2)s1 195577213 AKWGLMLVLHPBEA-SPLOXXLWSA-N 321.467 3.628 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(C2CC2)nc1 222595753 GECKMOWJXWURSV-UHFFFAOYSA-N 308.168 3.913 0 40 DHAB O=C(Cc1ccc(Cl)cc1F)NCCSC1CCCC1 223341948 YSUIBXUOGXSXMN-UHFFFAOYSA-N 315.841 3.814 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 223723258 ZKVZGXJQOUTQAH-UHFFFAOYSA-N 317.454 3.939 0 40 DHAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1ccccc1F 225248709 BROQRCHODOAFSI-OQLLNIDSSA-N 318.373 3.618 0 40 DHAB Cc1cn(C)c([C@@H]2CCCN2Cc2cccc3cccnc23)n1 257296994 RFHVQPLAOYYWRW-KRWDZBQOSA-N 306.413 3.614 0 40 DHAB O=C(NC1CCC(F)(F)CC1)c1cccc(Br)c1 341520901 CELZIJFQKPYZCS-UHFFFAOYSA-N 318.161 3.757 0 40 DHAB O=C(Cc1cccs1)N[C@@H](c1cccs1)C1CCOCC1 618255349 BJTIJOIGNUIMJO-MRXNPFEDSA-N 321.467 3.636 0 40 DHAB Cc1cc(F)ccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618256778 MMZREJDDIRCAMQ-HOTGVXAUSA-N 321.417 3.540 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1cc(Cl)ccc1C 560072 QRDXXJVOIQNMDS-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB C[C@H]1C=C(COC(=O)Nc2ccccc2)ON1c1ccccc1 1564385 QVAXQKCAISITGO-AWEZNQCLSA-N 310.353 3.959 0 40 DHAB CCOP(=O)(OCC)[C@@H]1[C@@H](C)N1C(=O)Nc1ccccc1 1655554 KDAFSJFRCHBLIE-BXKKICEVSA-N 312.306 3.515 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1Cl 1961888 JJVCWEMZNMXHEW-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB C[C@@H](CCOC(=O)CN1CCCCC1)CCc1ccccc1 2250642 QNJCZOKHCOOSPU-QGZVFWFLSA-N 303.446 3.675 0 40 DHAB Cc1ccccc1C(=O)NCC1(N2CCCCC2)CCCCC1 3344323 DQXBJOOBELKOOT-UHFFFAOYSA-N 314.473 3.914 0 40 DHAB COc1ccc(Nc2nnc(SC[C@@H]3CCCO3)s2)cc1 3422422 ZMCQAFTVQZUFGZ-LBPRGKRZSA-N 323.443 3.561 0 40 DHAB CCC[C@H](C)NC[C@@H](O)COc1ccc(OC)cc1C(C)(C)C 3434374 VHMWXAMSFWEUEL-LSDHHAIUSA-N 323.477 3.511 0 40 DHAB CCOC(=O)[C@H]1CC[C@@](C)(C(=O)Oc2ccccc2)C1(C)C 3845990 XCRWGOGPEPOQEN-KDOFPFPSSA-N 304.386 3.598 0 40 DHAB biogenic CCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1C 4163185 CDFCOZYUXHOKDA-UHFFFAOYSA-N 306.365 3.712 0 40 DHAB Cc1cc(C(=O)OCC(=O)c2ccccc2)c2cccc(C)c2n1 4507263 SDQTYMMLNXPBOJ-UHFFFAOYSA-N 319.360 3.891 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2F)cc1 5117799 HVUJRDSHFKTADO-GFCCVEGCSA-N 315.344 3.572 0 40 DHAB Cc1c2c(nn1-c1nc(-c3cccc(O)c3)cs1)CCCC2 5274968 RFWMAGIBVPHQOX-UHFFFAOYSA-N 311.410 3.889 0 40 DHAB CCOc1nc(-c2ccc(Cl)cc2Cl)ccc1C(N)=O 6783963 FUVRDIUPYGUHRY-UHFFFAOYSA-N 311.168 3.553 0 40 DHAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(Cl)s1 6820397 USPMBVWGDCQLNB-UHFFFAOYSA-N 313.831 3.691 0 40 DHAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 6852986 VEWZSUWXBOWEHM-IAQYHMDHSA-N 320.845 3.749 0 40 DHAB O=C(NCc1cccnc1)c1ccc2c(c1)-c1ccccc1C2 8721428 CWRVQVDMYGIOJT-UHFFFAOYSA-N 300.361 3.583 0 40 DHAB COc1cc(C(=O)N[C@H](C)c2cc(C)ccc2OC)ccc1C 9919281 DHFGEVFDJBWLBN-CQSZACIVSA-N 313.397 3.812 0 40 DHAB O=C(NC1CC1)[C@H](Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 11160328 LINLKNUQYKVRAS-LJQANCHMSA-N 324.399 3.746 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)Nc2onc3c2CCCC3)c1C 11914760 MWVSRLJIJLKXDX-ZDUSSCGKSA-N 314.385 3.576 0 40 DHAB Cc1ccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1 12112959 KJFWVVFDNNZPHC-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 12601407 JJFVWDFJIVYGNS-CYBMUJFWSA-N 307.397 3.862 0 40 DHAB Cc1cccc(NC(=O)NCc2ccc(Cn3ccnc3)cc2)c1 12629458 JWGBHLLOQWBDEH-UHFFFAOYSA-N 320.396 3.562 0 40 DHAB COc1ccccc1/N=c1\scc(C)n1Cc1ccccn1 12826988 PSEQUTLQWYVHNS-ZPHPHTNESA-N 311.410 3.542 0 40 DHAB O=C(CCC1CCCCC1)Nc1cccc(C(=O)NC2CC2)c1 12880922 OUMLNDRQJJYPIX-UHFFFAOYSA-N 314.429 3.878 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3ccc(F)c(F)c3)cnc21 13001852 YWGXULBOWREUFA-UHFFFAOYSA-N 316.311 3.543 0 40 DHAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)Nc2ncnn21 13127459 LMXKCNNGJAXAPZ-IRXDYDNUSA-N 320.396 3.741 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)CSc1ccccc1 15471272 JXEVYZDSLLVISB-CYBMUJFWSA-N 301.411 3.665 0 40 DHAB CCCOc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 19736532 QDXLMRZZFPNKTI-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB COC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2s1 20025428 FGWJRKQWSUNOMV-UHFFFAOYSA-N 301.323 3.533 0 40 DHAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2)cc1OC 20455691 QUOACVUBXBPJHW-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB CCN(CC)CCNCc1cccc(OCc2ccccc2)c1 22075428 CMJMYSVEXWEAEY-UHFFFAOYSA-N 312.457 3.697 0 40 DHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccsc1 23880678 JAEFGRZXLRDULN-UHFFFAOYSA-N 321.352 3.765 0 40 DHAB CC(C)=CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 24748970 OLEJKAPZZVPANB-GOSISDBHSA-N 319.408 3.929 0 40 DHAB Cc1n[nH]c(C)c1SCC(=O)Nc1cccc(Cl)c1C 27756585 PAUBHXRSZXMCNZ-UHFFFAOYSA-N 309.822 3.719 0 40 DHAB Cc1cccc(OCC(=O)NCc2c(Cl)cccc2Cl)c1 28539680 NTVXIJPQYOUMLK-UHFFFAOYSA-N 324.207 3.997 0 40 DHAB C[C@H]1c2cccn2CCN1C(=O)Cc1ccc2ccccc2c1 30264623 PPHQDUDOSNKCTQ-HNNXBMFYSA-N 304.393 3.787 0 40 DHAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2)c(C)c1 30555792 DNWJFXJTKKUAOP-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB Cc1csc(CNC(=O)CCc2ccc(C)c(Cl)c2)n1 32882257 BOEYTKGIYZWJPU-UHFFFAOYSA-N 308.834 3.662 0 40 DHAB CCOC(=O)c1cnc2c(Cl)cccc2c1N(CC)CC 34925903 GZYVXPFTAMUPSK-UHFFFAOYSA-N 306.793 3.911 0 40 DHAB CCOC(=O)c1ccc(Oc2cnc(-c3ccccc3)nc2)nc1 40091206 ATQIIKRUTFVEMZ-UHFFFAOYSA-N 321.336 3.508 0 40 DHAB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1ccco1 40323901 DBSVVFRKRYWHOW-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1Cl 40526887 MJLFYLMIKSSYTM-JTQLQIEISA-N 309.797 3.562 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1ccc(O)c(Cl)c1)SCC(O)=N2 44901268 AZWNYJXMUJYVKX-GFCCVEGCSA-N 309.778 3.501 0 40 DHAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)C1CCC1 47371804 JNJOREFFBUQKOS-UHFFFAOYSA-N 318.380 3.877 0 40 DHAB CCCC(=O)NC1(c2noc(C(F)(F)F)n2)CCCCCC1 47897899 CDKSFEPQCSIYLL-UHFFFAOYSA-N 319.327 3.554 0 40 DHAB O=C(O)c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1 55174996 RZVGCCLWWWZBQN-UHFFFAOYSA-N 309.321 3.816 0 40 DHAB Cc1cccc(-c2noc(-c3c[nH]c4ccc(F)cc4c3=O)n2)c1 57354798 HJIAOOZZMSXASW-UHFFFAOYSA-N 321.311 3.693 0 40 DHAB c1ccc(OCCSc2nnc(Cc3cccs3)o2)cc1 66262064 QNCFRYDOQYRBGR-UHFFFAOYSA-N 318.423 3.893 0 40 DHAB Cc1ccccc1CC(=O)O[C@H](c1cccnc1)C(F)(F)F 69777355 LAEFYUUEJKGVTO-OAHLLOKOSA-N 309.287 3.779 0 40 DHAB CC[C@@](C)(CCCNC(=O)c1ccc(C)c(C)c1)C1OCCO1 72306324 ORQAKKARLVXDSD-IBGZPJMESA-N 319.445 3.603 0 40 DHAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2nccs2)cc1 76959066 CTZHQKRBFHXZRI-HUUCEWRRSA-N 300.427 3.686 0 40 DHAB Cc1ccc(-c2nc(C)c(C(=O)N3C[C@@H]4CCC[C@H]4C3)s2)o1 79093683 BRXYQKLJDXTVCS-STQMWFEESA-N 316.426 3.892 0 40 DHAB O=C(OCc1ccccc1)N1CCCC[C@H]1COC(F)(F)F 91252516 SOAOMTDOARIVIF-ZDUSSCGKSA-N 317.307 3.714 0 40 DHAB Cc1csc([C@H](NCc2ccccc2N(C)C)C2CC2)n1 95403013 PCLCPOPNXISMOW-MRXNPFEDSA-N 301.459 3.758 0 40 DHAB CNCc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 95971500 GJVIRSGHYCISFZ-CVEARBPZSA-N 314.816 3.802 0 40 DHAB COc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1C 224022265 RBTAQHVRMRKEGJ-OAHLLOKOSA-N 313.397 3.509 0 40 DHAB Nc1ccc(Nc2ccccc2Cl)c(C(=O)N2CCCC2)c1 225470045 IIRQGWAPROGBRI-UHFFFAOYSA-N 315.804 3.902 0 40 DHAB CCCCOc1ncc(NC(=O)C2(OC)CCCCC2)cc1C 225888219 LXFAUPNAWOPPGR-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB CCc1nn(Cc2ccccc2)c(C(N)=O)c1-c1cccc(C)c1 228947301 ZJKWPVCJPKUSLN-UHFFFAOYSA-N 319.408 3.568 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](SC1=NN[C@@H]3CCCC[C@H]13)C2=O 253592581 XJRJIPQHVKZMKW-HGZBYPFFSA-N 306.475 3.589 0 40 DHAB Cc1noc(NC(=O)N2CCCCC[C@H]2c2ccccc2)n1 297001552 YZCWMXICCYTXDO-AWEZNQCLSA-N 300.362 3.527 0 40 DHAB O[C@H](c1cccc(-c2ccc(OC3CC3)cc2)n1)C(F)(F)F 527587040 CLPNBZIBQSBZCG-OAHLLOKOSA-N 309.287 3.886 0 40 DHAB Cc1ccccc1[C@H]1CN(C(=O)C2CC(C)(C)C2)[C@H](C)CO1 552255932 ZVGLVXULIJDBKX-RHSMWYFYSA-N 301.430 3.720 0 40 DHAB Cc1cc(C)c(NC(=O)c2cc3ccccc3c(=O)o2)c(C)c1 204864 ZYJVQIMQTTUSNW-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB NC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCC2 483987 IEBKRRGJLLQDFZ-UHFFFAOYSA-N 320.458 3.635 0 40 DHAB CC(=O)N(c1nnc(-c2ccc(C)cc2)s1)C1CCCC1 1345451 OBUWUUILLPXIIQ-UHFFFAOYSA-N 301.415 3.809 0 40 DHAB COc1ccccc1OS(=O)(=O)c1ccc(C(C)(C)C)cc1 2069693 UWOLISWZIUKKAI-UHFFFAOYSA-N 320.410 3.760 0 40 DHAB Cc1cccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)c1 2401933 HKXUXOGJKNZHTK-OAHLLOKOSA-N 312.394 3.941 0 40 DHAB CCOc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 2622278 YPKALLXODURCLE-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2o1 3301800 UZXNCRXUCPHCIJ-VXGBXAGGSA-N 304.415 3.709 0 40 DHAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1cccc(F)c1 3314825 SWTLROFEBUFYHZ-AWEZNQCLSA-N 301.361 3.503 0 40 DHAB COc1ccc(CC(=O)NCc2ccc(Cl)cc2Cl)cc1 3603124 HIEBDIQEVXRKTO-UHFFFAOYSA-N 324.207 3.861 0 40 DHAB C[C@]12CC=C3C4=C(CC[C@@H]3[C@@H]1CCC2=O)CC1(CC4)OCCO1 4026275 XUOQKQRMICQUQC-LNLFQRSKSA-N 314.425 3.936 0 40 DHAB biogenic CCCC(=O)NCCc1sc(-c2ccc(F)cc2)nc1C 5136966 ZQYLAQXAAKKZLX-UHFFFAOYSA-N 306.406 3.716 0 40 DHAB CCOC(=O)c1c(-n2c(C)cc(C=O)c2C)sc(C)c1C 5598412 RYHYEXYCEWTHIH-UHFFFAOYSA-N 305.399 3.762 0 40 DHAB Cc1c(Cl)cccc1NC(=O)CN1CCc2ccccc21 5638223 SPICZULJYKAPJV-UHFFFAOYSA-N 300.789 3.650 0 40 DHAB C[C@H](Sc1nc2ccccc2o1)C(=O)NC1CCCCC1 6061005 QZSKIEIALQSLHY-NSHDSACASA-N 304.415 3.757 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cccc(Cl)c2)c1 6314518 VXJXPJAAQAXPHR-UHFFFAOYSA-N 323.845 3.778 0 40 DHAB CC[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C)on1 9112497 WQMHQQJIUCXKAD-NSHDSACASA-N 312.728 3.572 0 40 DHAB O=Cc1ccc2cc(Br)cc(C(F)(F)F)c2n1 11804104 CRRYIMOYSBYZPJ-UHFFFAOYSA-N 304.065 3.829 0 40 DHAB CCn1c(C)cc2cc(NC(=O)c3cnc(C)nc3C)ccc21 12148377 FCQSKTXWTGCADV-UHFFFAOYSA-N 308.385 3.629 0 40 DHAB c1ccc2c(NC[C@H]3CCCO3)nc(-c3ccsc3)nc2c1 13008320 GGSINBWWWPMDCH-CYBMUJFWSA-N 311.410 3.949 0 40 DHAB CC(C)c1nc2sc3c(c2c2nnc(S)n12)CCCC3 13535014 DMDGPCYDENLKMQ-UHFFFAOYSA-N 304.444 3.630 0 40 DHAB CC(=O)c1sc(NC(=O)c2ccccn2)nc1-c1ccccc1 14658066 RHZMSPWPWQOALX-UHFFFAOYSA-N 323.377 3.660 0 40 DHAB Cn1c(=O)sc2cc(NC(=O)c3ccccc3Cl)ccc21 15865031 OCGBICCQXUCUMW-UHFFFAOYSA-N 318.785 3.506 0 40 DHAB Cc1cc2sc(NC(=O)c3cncnc3C)nc2cc1Cl 19125832 HQGUBQRMFAGTCW-UHFFFAOYSA-N 318.789 3.609 0 40 DHAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1C[C@@H](C)C[C@@H](C)C1 20733820 GNXKVWAKDKEQPL-JKDFXYPNSA-N 300.402 3.580 0 40 DHAB CC(C)c1n[nH]c(SCc2ccccc2Br)n1 21242769 IQMGOEOVVCKHNZ-UHFFFAOYSA-N 312.236 3.983 0 40 DHAB CC(=O)c1cccc(OCc2nnc(-c3ccc(F)cc3)o2)c1 24990863 RBUWAPMYZNXQNA-UHFFFAOYSA-N 312.300 3.657 0 40 DHAB Cc1ccc(C(=O)NCCc2ccc(OC(C)C)cc2)s1 25894118 VZMAUQZNWZMNBP-UHFFFAOYSA-N 303.427 3.816 0 40 DHAB CCC[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 27223910 FMJKVIRMWOHOBA-GOSISDBHSA-N 324.424 3.911 0 40 DHAB CC(=O)Nc1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1 32726936 BHTMYCSOYRZSIE-UHFFFAOYSA-N 312.413 3.656 0 40 DHAB C[C@H]1[C@@H](OC[C@H](O)CSc2ccccn2)[C@@H]2CC[C@H]1C2(C)C 36597090 TWDXDPVWDPRXGY-LBKYZSNHSA-N 321.486 3.622 0 40 DHAB CC1CCC(NC(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 44103319 MRBKKTSCMHWAOQ-UHFFFAOYSA-N 315.417 3.735 0 40 DHAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)C)n2)cn1 44902254 WQQXGVWLNPCPRB-UHFFFAOYSA-N 322.368 3.702 0 40 DHAB C[C@@H](Nc1ncnc2sccc12)c1ccc2c(c1)CCC(=O)N2 44976442 XJLGAMGJJNWBFC-SNVBAGLBSA-N 324.409 3.749 0 40 DHAB O=C(NCc1cccc(OCC(F)(F)F)c1)Nc1ccccc1 45948960 PHUIIBMZJZVUNC-UHFFFAOYSA-N 324.302 3.949 0 40 DHAB CN(CC(=O)NC(C)(C)C)C1c2ccccc2-c2ccccc21 49974456 SWBXGPFPJXKVGA-UHFFFAOYSA-N 308.425 3.603 0 40 DHAB O=C(c1ccc(-c2cnco2)cc1)N(Cc1ccco1)C1CC1 54724888 DDKVKDVXJBDWLA-UHFFFAOYSA-N 308.337 3.739 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]1C1CCCC1 56034003 ZBDZBMMEYDJGOH-QGZVFWFLSA-N 311.429 3.677 0 40 DHAB O=c1cc(CNCc2cccs2)c2cc3c(cc2o1)CCC3 58121270 LQSWWYLDDKJJTG-UHFFFAOYSA-N 311.406 3.633 0 40 DHAB O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCCCc2ccccc21 59251920 NDVCVYLYVAUQTR-IBGZPJMESA-N 320.392 3.549 0 40 DHAB O=C1N(c2ccccc2)CC[C@]12CCCN(Cc1ccccc1)C2 59711459 NBNIVFPKFYATOR-NRFANRHFSA-N 320.436 3.706 0 40 DHAB CCC(CC)N(C)C(=O)Cc1nc(-c2ccccc2)oc1C 60817553 WMNOJSIZLZGPHR-UHFFFAOYSA-N 300.402 3.840 0 40 DHAB Cc1nnc(SCC(C)CSc2nnc(C)s2)s1 69743645 RBUAHGUYIAGYDT-UHFFFAOYSA-N 318.518 3.527 0 40 DHAB O=C(NCCCn1ncc2c(Cl)cccc21)c1ccccc1 71196111 XIBUEFJAJWIOLE-UHFFFAOYSA-N 313.788 3.510 0 40 DHAB Cc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 72227782 BTDVEIHAOLRLFE-LSDHHAIUSA-N 321.207 3.717 0 40 DHAB C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 78966632 VTEJOMZVGODZSE-CQSZACIVSA-N 310.441 3.934 0 40 DHAB CN(C(=O)C1CC1)c1ccccc1C(=O)OC1CCCCCC1 83869734 ZMGQIJQAZDZXHU-UHFFFAOYSA-N 315.413 3.939 0 40 DHAB CCOc1ccc(-c2nc(-c3ccc(F)cc3)n[nH]2)cc1OC 85384305 GMOIMMCZHWKLKY-UHFFFAOYSA-N 313.332 3.685 0 40 DHAB O=C(CSCC(F)(F)F)N1CCCCc2ccccc21 90508961 VIJQESHNRKRMFA-UHFFFAOYSA-N 303.349 3.651 0 40 DHAB Cc1cccc([C@@H]2CCCCCN2C(=O)c2csnn2)c1 96410258 UGAPQZBTKLXFDO-HNNXBMFYSA-N 301.415 3.604 0 40 DHAB C[C@@]12C(=O)N(c3cccc4ccccc34)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 102593484 HKAXBQPMEDMGQT-ZEWMMAHBSA-N 303.361 3.541 0 40 DHAB COc1ccc(CNC(=O)c2ccc(C)cc2Cl)cc1OC 192294965 KKMHBWXBKWYHBL-UHFFFAOYSA-N 319.788 3.596 0 40 DHAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccccn1 223970343 GDOQZOJLMCILBV-UHFFFAOYSA-N 311.454 3.880 0 40 DHAB CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 224666779 VQGCSQJCWZYFFE-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251206282 IHLZCRDMLLYZEF-NZBPQXDJSA-N 307.821 3.802 0 40 DHAB Cc1noc(C)c1-c1noc(-c2cccc3c2OCC3(C)C)n1 333281482 XYJHRBPFFBZQEN-UHFFFAOYSA-N 311.341 3.678 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCCC2)cc1 408680511 MVBKWRMFIWSURC-HNNXBMFYSA-N 321.486 3.944 0 40 DHAB CCCN1C(=O)N/C(=C/c2ccc(OCC)c3ccccc23)C1=O 409223866 GEDHWWJLEPSIMP-FOWTUZBSSA-N 324.380 3.541 0 40 DHAB C[C@@H]1CCCN(C2CCN(C(=O)OCc3ccccc3)CC2)C1 1565505382 UJGPEINZDOGLKR-MRXNPFEDSA-N 316.445 3.520 0 40 DHAB FC(F)(F)c1cccc(OCC2CCN(C3CCC3)CC2)n1 1775995366 QKWRWTNSUYKKJF-UHFFFAOYSA-N 314.351 3.744 0 40 DHAB O[C@H](CNC1CCCCC1)COc1ccc(Cl)cc1Cl 74213 NPMXYYJBTJOJIW-CYBMUJFWSA-N 318.244 3.655 0 40 DHAB Cc1cc(Cl)ccc1OC(=O)c1cc2ccccc2oc1=O 122544 JOSHIGCMBZVQCP-UHFFFAOYSA-N 314.724 3.974 0 40 DHAB biogenic CCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OCC 147456 CSKILGRKNGMLDB-SOFGYWHQSA-N 318.398 3.592 0 40 DHAB CC(=O)Nc1cc(C(C)C)c(I)cc1C 1678796 DYWIYDZAPJGQCW-UHFFFAOYSA-N 317.170 3.681 0 40 DHAB COc1ccc(OCCSc2nc3ccccc3n2C)cc1 2462683 PFXZMFSNIMPSTN-UHFFFAOYSA-N 314.410 3.753 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(O)c1 2634583 LLFAXBBNAPSCFY-UHFFFAOYSA-N 305.761 3.680 0 40 DHAB CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)cs1 3436120 FEQATDVHAQWOSZ-UHFFFAOYSA-N 306.456 3.817 0 40 DHAB COc1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 6339671 ALWFTEZNXGJBDC-UHFFFAOYSA-N 311.259 3.846 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccccc1 7913919 PKWKGMGWROVBBU-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB c1ccc(-n2c(SCc3cscn3)nnc2C2CC2)cc1 8188600 WQHCVAZQOIIOLR-UHFFFAOYSA-N 314.439 3.894 0 40 DHAB Cc1ccc(CNC(=O)COc2ccccc2C(C)(C)C)cc1 8497044 KINDXCIMMYSQCD-UHFFFAOYSA-N 311.425 3.988 0 40 DHAB Cc1ccnc(NC(=O)c2ccc(COc3ccccc3)o2)c1 8780500 LXUTUXQFXDZKJA-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB O=C(Cc1ccccc1)Nc1nonc1-c1ccc(Cl)cc1 8915666 KQOAJBBXEIHHLA-UHFFFAOYSA-N 313.744 3.571 0 40 DHAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1 9359446 PHMMQPPXUBOLHR-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1cccc(F)c1 9387365 YOXGNXCMWJPMOF-NSHDSACASA-N 322.330 3.563 0 40 DHAB COc1ccc(CN(C)C(=O)Nc2ccccc2F)c(OC)c1 9512056 IVKQNGRNXBQIAU-UHFFFAOYSA-N 318.348 3.507 0 40 DHAB COc1ccccc1NC(=O)c1cc(C)nc2c1cnn2C(C)C 9954631 WXAQOIUPBPEUHM-UHFFFAOYSA-N 324.384 3.582 0 40 DHAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCc2ccccc21 12861425 ARZFXVPDUSZENX-OAHLLOKOSA-N 309.365 3.532 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2ccccc2N2CCCC2=O)c1 12887727 ZCTTZACMHIKXTK-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB Fc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)c(F)c1 15082893 FUQAOZSQOREGQO-UHFFFAOYSA-N 314.320 3.798 0 40 DHAB CCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC 15257088 FBIPGCRLBUAKTF-INIZCTEOSA-N 308.418 3.888 0 40 DHAB biogenic,in-vitro COc1ccccc1NC(=O)NCCCOC1CCCCC1 18177307 QFCPRAPDQYMDJM-UHFFFAOYSA-N 306.406 3.556 0 40 DHAB CC(=O)c1cccc(NCC(=O)N2c3ccccc3CC[C@@H]2C)c1 22695001 IHVXUKNKQCGLJL-AWEZNQCLSA-N 322.408 3.669 0 40 DHAB O=C(Nc1ccccn1)c1cccc(OCc2ccccc2)c1 27652596 NSPORXBUVIOGII-UHFFFAOYSA-N 304.349 3.913 0 40 DHAB Cc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 31491166 QTRSFQHIVXPFHP-UHFFFAOYSA-N 323.314 3.709 0 40 DHAB CC(C)(C)OC(=O)c1cc(Cl)cc(C(=O)OC(C)(C)C)n1 35653861 UYWBESJGMBTLJH-UHFFFAOYSA-N 313.781 3.646 0 40 DHAB O=C(CNc1ccc(F)c(F)c1F)NCCC1=CCCCC1 36395713 ZQXMLQINQTVLPR-UHFFFAOYSA-N 312.335 3.523 0 40 DHAB CCc1cc2c(=O)[nH]c(Cc3c[nH]c4ccccc34)nc2s1 53843833 IUIHXPMDMPGNKI-UHFFFAOYSA-N 309.394 3.619 0 40 DHAB Cn1c([C@H]2CCCCN2C(=O)C[C@@H]2C=CCC2)nc2ccccc21 54666734 DQTDIPIOMVOPFT-CRAIPNDOSA-N 323.440 3.983 0 40 DHAB O=C(c1csc(-c2ccccn2)n1)N1CCCCCCC1 58413062 PVFWKWDXVDNUBB-UHFFFAOYSA-N 301.415 3.611 0 40 DHAB Cc1ccc(-c2noc(C[S@](=O)CC3CCCCC3)n2)cc1 69847295 DWAHXLFWXJJFTK-QFIPXVFZSA-N 318.442 3.874 0 40 DHAB Cn1c([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)nc2ccccc21 71839183 KSPUAIWBYFDURB-RHSMWYFYSA-N 309.413 3.593 0 40 DHAB Cc1ccc(CCCC(=O)N[C@H](c2nc(C)no2)C(C)C)cc1 72280786 OGUPVMJGBBZGGH-KRWDZBQOSA-N 315.417 3.523 0 40 DHAB O=c1ccn(Cc2ccc(F)c3cccnc23)c2ccccc12 75142122 POGGLVAFSKWKFV-UHFFFAOYSA-N 304.324 3.737 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)CCO[C@H](C)CC(C)C)c1 87061524 LOKZCLOOWDVFNK-CQSZACIVSA-N 320.433 3.815 0 40 DHAB CC(C)[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccccc1 89801781 PCAIFJUIJXCDFA-HXUWFJFHSA-N 320.440 3.813 0 40 DHAB C[C@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)CO1 91088554 TZXGUFGXHSCVIA-LBPRGKRZSA-N 320.820 3.994 0 40 DHAB Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CCOC1 96409215 XNGFBILOTRSAJG-MRXNPFEDSA-N 311.381 3.549 0 40 DHAB Cc1cc2cc(C(=O)N[C@H](C)c3cn(C)nc3C)oc2cc1C 96430875 TUJSILLIPWROLN-GFCCVEGCSA-N 311.385 3.583 0 40 DHAB CC(C)(C)OC(=O)N1CCC/C1=C\C(=O)OCc1ccccc1 96528442 SRIXSNHHHFUDCR-NTCAYCPXSA-N 317.385 3.645 0 40 DHAB CC(C)Cn1ncnc1CSc1nnc(C2CCCCC2)o1 97047698 TYJDCMRFILSTJU-UHFFFAOYSA-N 321.450 3.657 0 40 DHAB O=C(c1ccccn1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166320 VDGSZCNWIVMSDQ-IRXDYDNUSA-N 310.372 3.772 0 40 DHAB C[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12 118932134 VFQOKWWMUFPWLL-ULBFBDQBSA-N 306.490 3.997 0 40 DHAB COc1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1 223341117 OKNGCXUQODUMNB-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB O=C(OCc1ccc(F)cc1)c1snnc1-c1ccccc1 223833351 LZMJLFZZKZJVNJ-UHFFFAOYSA-N 314.341 3.701 0 40 DHAB Cc1ccc(NC(=S)NCCOc2cc(C)ccc2C)cc1 224051079 KQUOUXXOIQMMOC-UHFFFAOYSA-N 314.454 3.977 0 40 DHAB CCOc1ccc(NC(=O)[C@](C)(CC)OCC)c2cccnc12 225893463 DUNYHTLXDHNVTM-SFHVURJKSA-N 316.401 3.777 0 40 DHAB CC1CCN(c2ccc(NC(=O)c3cccs3)cc2N)CC1 226263164 GZBGMXXOTPQRFH-UHFFFAOYSA-N 315.442 3.819 0 40 DHAB COc1ccc(-c2ccc(C(=O)N(C)c3ccccc3)o2)c(N)c1 226303799 RIQIYACMPHNPKS-UHFFFAOYSA-N 322.364 3.814 0 40 DHAB C[C@H](NC(=O)N1C[C@H]2CC[C@H]1C2)c1cccc(N2CCCC2)c1 245358625 ZXEIJCGFVAMMDI-MPGHIAIKSA-N 313.445 3.542 0 40 DHAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251206277 IHLZCRDMLLYZEF-JURCDPSOSA-N 307.821 3.802 0 40 DHAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cnccn2)cs1 257319841 VUGISKOVELELRY-CQSZACIVSA-N 301.415 3.639 0 40 DHAB O=C(COCc1ccccc1)c1ccc(Br)c(F)c1 309803585 STPNRUYUKSFFSV-UHFFFAOYSA-N 323.161 3.988 0 40 DHAB CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 409075793 UGOSPFFIRJTHIH-WEVVVXLNSA-N 318.181 3.755 0 40 DHAB CC(C)N(C)CC1CCN(C/C=C/c2ccc(F)cc2)CC1 535813099 BOJQZODYDLADPF-SNAWJCMRSA-N 304.453 3.891 0 40 DHAB Brc1ccc([C@H]2C[C@@H]2CN2CCSCC2)cc1 575424336 ZFJMTEABFKBRAP-TZMCWYRMSA-N 312.276 3.601 0 40 DHAB O=C(NCc1cncc(-c2ccoc2)c1)c1ccc(Cl)s1 575620477 NKJLHBTZWOMXTQ-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB Cc1cc(N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)nc(C)n1 585090466 PYSFEMHWJYERNQ-BZSNNMDCSA-N 309.413 3.592 0 40 DHAB Cc1cccc(O[C@@H]2CCC[C@H](N3CCCCCCC3)[C@H]2O)c1 585288713 INTANTKBFGJORU-XUVXKRRUSA-N 317.473 3.922 0 40 DHAB Cc1nccc([C@@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 1848353865 QIWZRXBWAUPNNB-MRXNPFEDSA-N 306.413 3.646 0 40 DHAB Clc1ncnc2scc([C@@H]3COc4ccccc4O3)c12 93049 BYXYOOUBQILWGZ-NSHDSACASA-N 304.758 3.857 0 40 DHAB O=C(Nc1nccs1)c1cc(Br)ccc1Cl 177914 HQMWNLQPNICEDN-UHFFFAOYSA-N 317.595 3.811 0 40 DHAB Cc1cc2ccccc2n1CCNC(=O)/C=C/c1ccccc1 250341 WWGIKJAWNSBDCD-VAWYXSNFSA-N 304.393 3.779 0 40 DHAB CC(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)OCO2 364490 RZYSRRQSIYSDOY-UHFFFAOYSA-N 303.358 3.527 0 40 DHAB Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(Cl)n1 1403190 XGKFNVJGJWBCCT-UHFFFAOYSA-N 309.818 3.801 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1[C@H]1NC=Cc2ccccc21 1577830 AJSRKSMZXNELTH-VQTJNVASSA-N 302.377 3.876 0 40 DHAB O=C(O)c1cccnc1Sc1ccc(Br)cc1 2661409 VEGJCWLQSIOCCF-UHFFFAOYSA-N 310.172 3.694 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 2742916 JLTFDFOEECRADN-LLVKDONJSA-N 307.752 3.563 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 3608652 XWNZXAFVHBGYTL-UHFFFAOYSA-N 317.772 3.950 0 40 DHAB CC(=O)c1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1 4163669 MHEKHLPACZEAFN-UHFFFAOYSA-N 320.348 3.500 0 40 DHAB Cc1nc(SCC(=O)NC(C)C)sc1Cc1ccccc1 5032128 YMIULDYVXZYEFY-UHFFFAOYSA-N 320.483 3.659 0 40 DHAB O=C1COc2ccc(Cl)cc2N1Cc1cccc(Cl)c1 5749810 WRGCNTBQGOYPAD-UHFFFAOYSA-N 308.164 3.919 0 40 DHAB CCOC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 6046953 XMXXIQBTFNDQQU-VIFPVBQESA-N 324.446 3.566 0 40 DHAB Cc1ccc(-c2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1 6052176 RRKDUGQWDIRABS-UHFFFAOYSA-N 304.349 3.980 0 40 DHAB COc1ccc(C2=NO[C@@]3(C2)N(C)c2ccccc2C3(C)C)cc1 6962157 HACSKTSDWBTXLT-HXUWFJFHSA-N 322.408 3.944 0 40 DHAB O=C(CCSc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 7597825 JDPOWBUKESDQAR-UHFFFAOYSA-N 319.357 3.675 0 40 DHAB O=C(c1ccc(F)cc1)c1ccc(OCC(=O)c2ccc[nH]2)cc1 7652857 KLZMAVQRLVEANY-UHFFFAOYSA-N 323.323 3.647 0 40 DHAB CSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C(C)(C)C)CC3 8738176 PJLNKCNSUWGDRY-QMMMGPOBSA-N 308.472 3.858 0 40 DHAB COc1cccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)c1 9353840 NOBULEPDOVKVJO-OAHLLOKOSA-N 319.364 3.559 0 40 DHAB CCCCOc1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 11614021 IZJOXVJFBUQKFB-UHFFFAOYSA-N 319.854 3.596 0 40 DHAB O=C(O)[C@H](Oc1ccccc1Br)c1ccccc1 11887829 ZQWOGBQVPWTKDG-CYBMUJFWSA-N 307.143 3.654 0 40 DHAB Cc1ccc2c(N)c(C(=O)N3CCCc4ccccc43)sc2n1 12249678 NWKZWHCGIWAFEU-UHFFFAOYSA-N 323.421 3.780 0 40 DHAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 12781867 XCAWNIFHVRALET-INIZCTEOSA-N 308.381 3.875 0 40 DHAB O=C(Nc1ccc(SC(F)F)cc1)[C@H]1Cc2ccccc2O1 13017631 ZORICWUQFYBJRB-CQSZACIVSA-N 321.348 3.944 0 40 DHAB CC(C)c1ccc(CCC(=O)NCCCN2CCCCC2)cc1 13668375 SKIFUURQSDKTOV-UHFFFAOYSA-N 316.489 3.735 0 40 DHAB CC(C)c1nnc2sc(-c3ccccc3Br)nn12 13945085 BDNKSFZSLMHTAO-UHFFFAOYSA-N 323.219 3.739 0 40 DHAB CC(=O)c1ccc(C(=O)N[C@H](C)CCc2ccccc2)s1 14245270 YTOYPGYRMIWFKQ-GFCCVEGCSA-N 301.411 3.702 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1Cl 14396651 CINKSXXUFURHQC-LLVKDONJSA-N 307.752 3.563 0 40 DHAB CCSc1nnc(SCC(=O)c2cc(C)[nH]c2C)s1 22412992 INUSEZWUHUJQJP-UHFFFAOYSA-N 313.473 3.570 0 40 DHAB CC(=O)c1c(Nc2nc3ccccc3s2)oc(C)cc1=O 26506201 NUOGTXCYPKPBSH-UHFFFAOYSA-N 300.339 3.504 0 40 DHAB Cc1ccccc1CN[C@H](c1cccc(F)c1)c1nccn1C 30645422 WSYIJOHOAYLYLO-GOSISDBHSA-N 309.388 3.747 0 40 DHAB CCCCSCC(=O)N[C@@H](C)c1ccc(NC(=O)CC)cc1 31826773 XILMASVDLBVOIC-ZDUSSCGKSA-N 322.474 3.746 0 40 DHAB CCn1cc(CN(C)C(=O)C2CCC(C(C)(C)C)CC2)cn1 32648406 UXNAVFJSIOIIJW-UHFFFAOYSA-N 305.466 3.714 0 40 DHAB COc1ccc([C@H]2CCCN2Cc2c(C)noc2C)c(OC)c1 32751530 LYCTYTMDSVDXRJ-QGZVFWFLSA-N 316.401 3.646 0 40 DHAB Cc1cc(NCc2ccc(F)cc2)n2c(n1)nc1ccccc12 35311008 YGYADNJEQPQQRJ-UHFFFAOYSA-N 306.344 3.942 0 40 DHAB CN(Cc1cccs1)C(=O)NCC1(c2ccccc2)CC1 40038961 REIQVCBBZVBFAA-UHFFFAOYSA-N 300.427 3.621 0 40 DHAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1C 41091160 FLHXRXGQBFYPAA-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CCC[C@@H](C)NC(=O)CN(C)Cc1csc2ccccc12 46089532 GUOMTOGQOZAPKK-CYBMUJFWSA-N 304.459 3.638 0 40 DHAB O=C(CC[C@@H]1CCCO1)Nc1nc2ccc(Cl)cc2s1 46126866 RVFIZVDSQXDXRC-JTQLQIEISA-N 310.806 3.847 0 40 DHAB COc1cccc(-c2cc(C(=O)Nc3ccccc3C)n[nH]2)c1 51315569 XKQAAKGNYJJWTG-UHFFFAOYSA-N 307.353 3.646 0 40 DHAB COc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(Cl)c1 65921463 PALCMZKUHGSIDL-UHFFFAOYSA-N 317.732 3.584 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2ccc(C)cc2)ccc1F 66489662 FZALMIRLJLVAEC-UHFFFAOYSA-N 302.305 3.565 0 40 DHAB C[C@@H](NC(=O)c1snc(-c2ccccc2)c1N)c1ccccc1 67334749 FTNHWJRPEBTUTK-GFCCVEGCSA-N 323.421 3.883 0 40 DHAB O=C(c1cscn1)N1CCC[C@@H]1c1nc2ccccc2s1 68919008 JHVIAWGWGYMFSP-GFCCVEGCSA-N 315.423 3.730 0 40 DHAB CC(C)c1csc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)n1 72297263 AKDSMUBQWQQNPQ-CYBMUJFWSA-N 320.458 3.667 0 40 DHAB Cc1cc(C)nc([C@@H]2CCN(Cc3ccc4ncccc4c3)C2)n1 72369683 OOXUUHKKYCPNNK-GOSISDBHSA-N 318.424 3.631 0 40 DHAB CC(C)[C@@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1 79473633 INOPJZBOGCIHDA-HNNXBMFYSA-N 301.415 3.963 0 40 DHAB CCc1c(C(=O)N2C[C@@H](C)c3ccccc32)[nH]c(C)c1C(C)=O 80082771 XDYHKBJCDHBNKM-LLVKDONJSA-N 310.397 3.852 0 40 DHAB COC(=O)c1ccc([C@@H](C)N(C)Cc2ccc(Cl)s2)o1 84651701 TWRLNSUYMZVCJS-SECBINFHSA-N 313.806 3.974 0 40 DHAB COc1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1 91302993 PFDCGHVOXGGTGC-UHFFFAOYSA-N 315.413 3.991 0 40 DHAB O=C(CCc1ccccn1)N[C@H]1CC2(CCC2)Oc2ccccc21 96466184 JLWAEPUORSYZCT-KRWDZBQOSA-N 322.408 3.577 0 40 DHAB COCCSc1ccc([C@H](C)NC(=O)NC2CC=CC2)cc1 96469911 TZRUETRJSRAALE-ZDUSSCGKSA-N 320.458 3.504 0 40 DHAB CC(C)[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccncc1 97212500 DWEKJSKYMRXZNL-IAGOWNOFSA-N 301.434 3.753 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(C)o1 97234625 TXRXNWVZIAYZPT-WBMJQRKESA-N 316.405 3.617 0 40 DHAB C[C@H](Sc1nc2ccccc2o1)C(=O)N1C[C@H](C)C[C@@H](C)C1 106539070 AVADOSFEEMNSNO-UPJWGTAASA-N 318.442 3.813 0 40 DHAB COc1ccc([C@H](C)C(=O)N2CCCc3ccc(F)cc32)cc1 107452006 GMIRBCAGXZRUNI-ZDUSSCGKSA-N 313.372 3.917 0 40 DHAB CC(C)(C)OC(=O)NCC12CCC(Br)(CC1)CC2 167367262 JUTMVEJMIVSFAX-UHFFFAOYSA-N 318.255 3.999 0 40 DHAB O=C(CC(F)(F)F)N1CCCC[C@H](c2ccc(F)cc2)C1 206874887 IMCAUMOOQBNBCW-LBPRGKRZSA-N 303.299 3.874 0 40 DHAB Cc1ccc(CC(=O)NCc2cccc(OC(C)C)c2)cc1C 218803695 RKYWTOHTZMDELC-UHFFFAOYSA-N 311.425 3.950 0 40 DHAB Cc1cccc(OCCNC(=O)/C=C/c2ccc(F)cc2)c1C 223897768 XPRBBUGFCIRAHM-DHZHZOJOSA-N 313.372 3.651 0 40 DHAB CCNC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224141497 XEBFGQJOUGKLQE-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB CCOc1ccc(C(=O)NC)cc1COc1cccc(Cl)c1 224484938 IOCKQGLYVQKMHI-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB CC(C)n1c(=O)sc2cc(NC(=O)C3CCCC3)ccc21 225178071 JVTWINYKQVAWNF-UHFFFAOYSA-N 304.415 3.773 0 40 DHAB CO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c(C)c1)C1CC1 225645420 VFQOXJIPXKLBMB-SFHVURJKSA-N 305.418 3.783 0 40 DHAB CCOc1ccccc1NC(=S)NCCCc1ccco1 225804482 KNRGCPHSIONDJP-UHFFFAOYSA-N 304.415 3.598 0 40 DHAB Cc1c(NC(=O)C(C)(C)C)cccc1-c1ccc(C(=O)O)o1 226352228 JYTILZUSWGAFEZ-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB Cn1ncc2c(=O)ccn(Cc3ccc(C4CCCCC4)cc3)c21 569972361 BPWLFBWDFKESBS-UHFFFAOYSA-N 321.424 3.831 0 40 DHAB CCC/C=C(/CC)[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 1505840588 DMZJJDDAKLEIIG-VHDZQUKYSA-N 312.413 3.944 0 40 DHAB Cc1ccccc1C(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1 117219 VBXADSYAHBDMSY-OAHLLOKOSA-N 317.772 3.594 0 40 DHAB Cc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3[C@H]1C[C@H]2C 377039 FWIJUQKNNLLVQY-IAQYHMDHSA-N 307.349 3.902 0 40 DHAB biogenic O=C1c2ccccc2N[C@H](c2ccccn2)N1Cc1ccccc1 384389 JJHVWYUFGKMROZ-IBGZPJMESA-N 315.376 3.848 0 40 DHAB CCCc1nc(SCC(=O)N(CC)CC)c2ccccc2n1 1342692 IQXTWPNKDFFSPX-UHFFFAOYSA-N 317.458 3.543 0 40 DHAB COc1ccc(CCNCc2ccc3ccccc3n2)cc1OC 1718157 WHQBOHYVTSHKSR-UHFFFAOYSA-N 322.408 3.584 0 40 DHAB COc1cc(OC)c(OC)cc1CNC1CCCCCCC1 1730320 AGFSUAUWVXBSMV-UHFFFAOYSA-N 307.434 3.915 0 40 DHAB Cc1ccc(N2N[C@@]3(C[C@@H](C)CC(C)(C)C3)NC2=S)cc1 1754989 QMRFFSCJFCEJQN-SUMWQHHRSA-N 303.475 3.737 0 40 DHAB O=C1O[C@@H](C(=O)Nc2ccc3ccccc3c2)Cc2ccccc21 1887402 IBXVTKHQWODPLR-GOSISDBHSA-N 317.344 3.560 0 40 DHAB CCOc1cccc(N2C(=O)c3ccc(Cl)cc3C2=O)c1 3099616 JKZBSUKZNYAQDP-UHFFFAOYSA-N 301.729 3.539 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N2CCCc3ccccc32)n1 3391674 WCOKCUJIRUFWAG-GFCCVEGCSA-N 318.467 3.912 0 40 DHAB Cc1cccc2sc(NC(=O)Cc3ccc(F)cc3)nc12 3524010 GRYMMCHYABDSDB-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB CCCCCc1nnc2n1N=C(c1ccc(F)cc1)CS2 4280265 KVHPTXZOCJTKIK-UHFFFAOYSA-N 304.394 3.508 0 40 DHAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1C1CCCCC1)CC3 4838372 ZNFDGFBOIRSODW-UHFFFAOYSA-N 305.377 3.867 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)F)cc1 5862485 XHTMRWYSXPEWFG-UHFFFAOYSA-N 321.367 3.987 0 40 DHAB CCC(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 7016163 ODFFIYDNJZFVGS-SFHVURJKSA-N 316.328 3.887 0 40 DHAB Cc1csc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)n1 7039107 INFZXYQQWIRBHZ-UHFFFAOYSA-N 312.826 3.518 0 40 DHAB C[C@H]1CCCN(CC(=O)N[C@@H](C)c2cccc3ccccc23)C1 7340727 PMKGCAPOHFZFLU-HOTGVXAUSA-N 310.441 3.749 0 40 DHAB Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccc(F)cc1 7763020 JDESPBNTWOVBGX-UHFFFAOYSA-N 301.390 3.998 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 8041683 XBDVXOFCXRRCAN-INIZCTEOSA-N 309.409 3.656 0 40 DHAB CC(C)Sc1nnc(NC(=O)c2cccc(Cl)c2)s1 8792847 ORTQDSGEPGYBFY-UHFFFAOYSA-N 313.835 3.944 0 40 DHAB COc1cc(C)ccc1OCC(=O)Nc1cccc(Cl)c1F 9314602 SSFJKSIZHVCQMC-UHFFFAOYSA-N 323.751 3.814 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1 9684211 QMFIJVDBUDOEQL-UHFFFAOYSA-N 307.397 3.854 0 40 DHAB COc1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1C 10402187 MWYPWGSZCXINHB-UHFFFAOYSA-N 313.441 3.631 0 40 DHAB CCCOc1cccc(C(=O)Nc2onc3c2C[C@H](C)CC3)c1 11915445 FAYXGZFAXCOEGI-GFCCVEGCSA-N 314.385 3.841 0 40 DHAB Cc1noc(-c2cnc(N3CCCCC3)nc2-c2ccco2)c1C 12186850 QETISMYRUOHIAT-UHFFFAOYSA-N 324.384 3.999 0 40 DHAB C[C@]1(C(=O)Nc2nc3c(s2)CCCCC3)CC1(Cl)Cl 12402167 VENCLMSGLBIZEK-GFCCVEGCSA-N 319.257 3.934 0 40 DHAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCCC1 20108288 PQNJRFVDVRMUCR-UHFFFAOYSA-N 320.436 3.875 0 40 DHAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(Cl)cc1 21524030 RWQSSHDAFBJQNB-UHFFFAOYSA-N 317.732 3.554 0 40 DHAB C[C@H](OCC(F)(F)F)C(=O)N[C@@H](C)c1cc2ccccc2o1 31705838 QESXKBVIOLIDSQ-UWVGGRQHSA-N 315.291 3.577 0 40 DHAB Cc1c(Cl)cccc1NC(=O)CCc1nc(C(C)(C)C)no1 32645869 ZAVLQSAWWISIKS-UHFFFAOYSA-N 321.808 3.900 0 40 DHAB CCCCCN(C(=O)c1cc(C)nc2c1c(C)nn2C)C(C)C 40074128 HCWZLQNZYQAFHU-UHFFFAOYSA-N 316.449 3.626 0 40 DHAB Cc1cc(Oc2ccc(C(=O)O)cn2)ccc1Br 40451280 KMGJXPXHWSHAGN-UHFFFAOYSA-N 308.131 3.643 0 40 DHAB O=C1c2cccc3cccc(c23)N1C[C@@H](O)c1ccccc1F 40501838 UMVWNSNQUJTDME-QGZVFWFLSA-N 307.324 3.673 0 40 DHAB O=C(C[C@H]1CCCO1)N[C@@H](c1ccccc1)c1cccs1 44939639 VBMOGSUTQFQNIY-PBHICJAKSA-N 301.411 3.523 0 40 DHAB O=C(Nc1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 45030394 OGONLIDWBGUGKN-MRXNPFEDSA-N 318.323 3.570 0 40 DHAB CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@@H]1c1ccccc1 50128883 XQBBRDUZCXRARK-OAHLLOKOSA-N 314.410 3.845 0 40 DHAB O=c1[nH]c(Cc2nc(-c3ccccc3)cs2)nc2ccccc12 53846179 FOOZGYAVDCRXPJ-UHFFFAOYSA-N 319.389 3.637 0 40 DHAB CC(C)c1ccc2nc(CC(=O)c3ccccc3F)[nH]c(=O)c2c1 57771647 QQRFIZDTLPZEOC-UHFFFAOYSA-N 324.355 3.611 0 40 DHAB Cc1cc([C@H](C)NC(=O)CCc2nc3ccccc3[nH]2)c(C)o1 58283074 PMZBLZSKBXEJHG-LBPRGKRZSA-N 311.385 3.583 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1OC 59351095 HCAMDSIDFYDWLO-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB CC(C)Cn1ccnc1NC(=O)c1cnc(C(C)(C)C)s1 64658785 NNXSWNXQVWASKV-UHFFFAOYSA-N 306.435 3.545 0 40 DHAB CCn1c([C@H](C)NC(=O)Cc2cccs2)nc2ccccc21 65825606 KRLHDGHSGNKXBC-LBPRGKRZSA-N 313.426 3.538 0 40 DHAB CCc1nnc([C@H](C)N(C)Cc2ccc(SC)c(OC)c2)o1 69979167 PDWJQRPNTNSACX-NSHDSACASA-N 321.446 3.556 0 40 DHAB Cc1csc(-c2cccc(NC(=O)NCc3ccccn3)c2)n1 71855076 JNYWISRHODPSOJ-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1noc(C)n1 72309284 SLTZOGSCAWQINQ-NSHDSACASA-N 314.172 3.566 0 40 DHAB CCOCCC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)CC1 77003175 OTIWRMZYOPRKCU-MOPGFXCFSA-N 315.457 3.764 0 40 DHAB CCC(CC)(CC(=O)OC)NCc1ccccc1C(F)(F)F 79068527 RAPIXOXRYLHKGW-UHFFFAOYSA-N 317.351 3.917 0 40 DHAB c1csc(-c2cc(COc3ccccc3-c3nc[nH]n3)no2)c1 89821229 LLDQJWFMLNAUHC-UHFFFAOYSA-N 324.365 3.767 0 40 DHAB O=C(O)CO[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F 95096399 SDHZUCHJDTVHGE-VIFPVBQESA-N 303.063 3.698 0 40 DHAB Cc1c([C@H](C)NCCc2ccccn2)cnn1-c1ccc(F)cc1 95419170 YDQHERKJRIYOAH-AWEZNQCLSA-N 324.403 3.608 0 40 DHAB C[C@@H]1OCC[C@@H]1SCCOc1ccccc1Br 95982660 HBFXBCXHXUIOFG-GWCFXTLKSA-N 317.248 3.739 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)cc1 96100814 LEUGZQRMWKYALT-UHFFFAOYSA-N 323.352 3.776 0 40 DHAB Fc1cccc(Cc2noc(-c3nc(-c4ccccc4)no3)n2)c1 98212367 AIGPGRZDQTWKHS-UHFFFAOYSA-N 322.299 3.517 0 40 DHAB O=c1[nH]nc2c3ccc(Cl)cc3n(-c3ccc(F)cc3)cc1-2 100032703 HTMAWMAEROVECV-UHFFFAOYSA-N 313.719 3.611 0 40 DHAB CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1ccc(-c3ccccc3)o1)C2 100691028 ZWBZWJPGCVOBFD-HUUCEWRRSA-N 311.381 3.729 0 40 DHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 101359418 CZORMLIIFXZLBC-SDADXPQNSA-N 313.784 3.598 0 40 DHAB C[C@@]1(O)C[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4(COC5=O)[C@@H]2CC[C@H]1C3 136833951 KLMZPLYXGZZBCX-XGRAKDAMSA-N 318.457 3.687 0 40 DHAB biogenic,in-vitro Cc1ncc(C(=O)Nc2ccc3c(c2)CCCN3)c(C(C)C)n1 179040093 PMKIAFBGLNZKRO-UHFFFAOYSA-N 310.401 3.519 0 40 DHAB CCOc1ccc(C(=O)O)cc1COc1ccc(C)c(C)c1 224616973 ONHUJFXCUOSUDJ-UHFFFAOYSA-N 300.354 3.979 0 40 DHAB CCOc1ccc(C(=O)NCC2=CCCCC2)cc1OCC 225065709 HOSUEPANMRPZRQ-UHFFFAOYSA-N 303.402 3.714 0 40 DHAB CCCO[C@]1(C(=O)Nc2cnc(OC)c(C)c2)CCC[C@H](C)C1 225911402 FYGBOQABAFRGAP-SCLBCKFNSA-N 320.433 3.713 0 40 DHAB CC(C)(C)OC(=O)Nc1cc(Br)ccc1C=O 238201870 VOSQLARVKWAAEN-UHFFFAOYSA-N 300.152 3.609 0 40 DHAB COC(=O)[C@@H]1[C@@H](C[C@@H](O)c2ccccc2)[C@H]2CC[C@@]1(C)C2(C)C 245239662 LLZXMKJMTYWIHO-HAJKQMQPSA-N 316.441 3.972 0 40 DHAB C[C@H]1CCN(S(=O)(=O)c2cccs2)[C@@H](c2ccco2)C1 247346876 AQBMYWVQNNBJBP-NWDGAFQWSA-N 311.428 3.503 0 40 DHAB C[C@H](C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2)cn1 257173705 VHTIPHNOZGENHR-CYBMUJFWSA-N 309.344 3.889 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(F)c(C(F)(F)F)c1 575361219 TULDJMUSVVMWTG-UHFFFAOYSA-N 306.255 3.761 0 40 DHAB Cc1ccccc1O[C@@H]1CCC[C@H](N2CCCCCCC2)[C@H]1O 585288450 AVXBDENEPIATAE-DFQSSKMNSA-N 317.473 3.922 0 40 DHAB CO[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1cccc(F)c1 643913781 GWMVVYRKUAQQBT-IRXDYDNUSA-N 320.433 3.504 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC(=C3CCC3)CC2)cc1C 1775966488 HHPMDZUWILHKHI-UHFFFAOYSA-N 305.443 3.568 0 40 DHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc(F)c1 131944 FFGIDBNYERDGHH-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1 480430 QWZQANGBKADEPT-UHFFFAOYSA-N 300.333 3.817 0 40 DHAB CCCN1C(=O)N(c2ccc(Cl)cc2)[C@@](C)(O)CC1(C)C 500627 COWYPPAGRLDNNP-INIZCTEOSA-N 310.825 3.869 0 40 DHAB Cc1cccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1C 571626 UXIBINCPQRDIAU-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB Cc1ccc2oc(-c3ccc(Br)o3)c(O)c(=O)c2c1 950328 OSDKYYUWYOOPPT-UHFFFAOYSA-N 321.126 3.830 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 1934381 JBWLLIUCHAVJBX-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB O=C(/C=C/c1c[nH]c2ccccc12)OCC(=O)c1ccccc1 3152057 HRIDXPHVKICRAM-ZHACJKMWSA-N 305.333 3.607 0 40 DHAB Cc1cc(NC(=O)CSc2cccc(C(F)(F)F)c2)no1 3473818 FOPBEPJSKGVMDE-UHFFFAOYSA-N 316.304 3.733 0 40 DHAB Cc1ccc(NC(=O)COc2cccc3ccccc23)c(O)c1 3518771 NRAOKXFXPBZCNW-UHFFFAOYSA-N 307.349 3.871 0 40 DHAB Cc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 4722453 IIEXWYQKPGREPZ-UHFFFAOYSA-N 302.281 3.509 0 40 DHAB CC1=C[C@H](C)[C@@H](C(=O)OCC(C)C)[C@H](C(=O)OCC(C)C)C1 4803894 HTQRIGKYTISTRY-ARFHVFGLSA-N 310.434 3.603 0 40 DHAB Cc1noc(C)c1COC(=O)/C=C/c1ccc2ccccc2n1 4895240 UVOMCYFRGSSUTG-MDZDMXLPSA-N 308.337 3.596 0 40 DHAB COc1ccccc1CNC(=O)Cc1coc2cc(C)c(C)cc12 5459561 WBVAJJLOVWEBBS-UHFFFAOYSA-N 323.392 3.917 0 40 DHAB CCN(CC)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 6205162 FUYUNMAFXRIFQX-UHFFFAOYSA-N 318.248 3.847 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(Cl)cc2)cc1 6639660 JXFGXPAILULBBQ-NSHDSACASA-N 316.788 3.982 0 40 DHAB Brc1ccc(N2CCN=C2c2ccccc2)cc1 6756924 OUQVCKOJPBAYBG-UHFFFAOYSA-N 301.187 3.716 0 40 DHAB S=C(NCc1ccc(Cl)nc1)Nc1ccc(Cl)cc1 6926427 QNQLFBHQTOUHKU-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB CC[C@@H](C)NS(=O)(=O)c1ccc(Oc2ccc(C)cc2)cc1 6934978 YEXNFBBNQFLJDL-CQSZACIVSA-N 319.426 3.864 0 40 DHAB O[C@@H](CNC1CCCCCC1)COCc1ccc(Cl)cc1 6937348 VDUBQYXWVHZJPG-KRWDZBQOSA-N 311.853 3.530 0 40 DHAB Cn1cc(C(=O)OCc2nc3ccccc3o2)c2ccccc21 7703418 KPYBHFKAYWNBJZ-UHFFFAOYSA-N 306.321 3.677 0 40 DHAB Cc1ccc(NC(=O)c2cc(C)n(C)c2C)c(Br)c1 8051845 YBDVQAYFYMXTRZ-UHFFFAOYSA-N 321.218 3.965 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)C1CCCC1 8755933 COAPQGJRVAGHNW-UHFFFAOYSA-N 306.793 3.596 0 40 DHAB CC(C)(C)C(=O)NCC(=O)Nc1ccc2oc3ccccc3c2c1 8937069 MBNPBINLDLRLLU-UHFFFAOYSA-N 324.380 3.687 0 40 DHAB Cc1noc(C(C)C)c1C(=O)Nc1nc2c(s1)CCCC2 9913933 MQOYPJBOXOQKMP-UHFFFAOYSA-N 305.403 3.694 0 40 DHAB Cc1csc(NC(=O)c2ccc(Br)cc2F)n1 10555377 SCCTUQCDWHBFPV-UHFFFAOYSA-N 315.167 3.605 0 40 DHAB CC(C)n1ncc2cc(C(=O)Nc3ccc(F)cc3F)cnc21 11772239 ZBJPLMLKIUKGFK-UHFFFAOYSA-N 316.311 3.543 0 40 DHAB Cc1ccccc1N[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O 12112961 WAPNZKAJVWILOU-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB CC(C)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)n(C)n1 12194777 KVNOHVVDPNLICL-CYBMUJFWSA-N 311.429 3.523 0 40 DHAB CN(Cc1nccn1C(F)F)C(=O)Nc1ccc(Cl)cc1 12520387 GERROPJEHDLSLU-UHFFFAOYSA-N 314.723 3.596 0 40 DHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N(C)C)cc1 12556044 QMLZFOSOWBFBBB-AWEZNQCLSA-N 323.440 3.680 0 40 DHAB COc1ccc(-[n+]2c(-c3ccccc3)cn3ccccc32)cc1 12558280 LBGMIBSJGUQDMZ-UHFFFAOYSA-N 301.369 3.892 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 12622131 KSGKMCBPCQFQIH-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB C[C@@H]1CCc2c(sc3ncnc(NN4CCCCC4)c23)C1 13071184 UWNXKBZHEFBPNJ-LLVKDONJSA-N 302.447 3.629 0 40 DHAB Cc1cccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)c1 13131387 LVWREOUVEGWRIV-SJORKVTESA-N 308.360 3.872 0 40 DHAB aggregator C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H](C)O1 14093795 LKVKAYUOSLMJRV-IYBDPMFKSA-N 324.424 3.548 0 40 DHAB C[C@H]1CCc2sc(C(=O)Nn3cnc4ccccc43)cc2C1 14196531 OVIPAAUOFSLWIK-NSHDSACASA-N 311.410 3.607 0 40 DHAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)c(C)c1 16968899 LTJFHBGMRKESJF-UHFFFAOYSA-N 323.436 3.782 0 40 DHAB Cc1ccccc1-c1nn2c(CCc3ccccc3)nnc2s1 19796867 GTSZYOOBEGFXNU-UHFFFAOYSA-N 320.421 3.946 0 40 DHAB COc1ccc(-c2nc(CCNC(=O)CC(C)C)cs2)cc1 27994487 UHVGHBSEKAQNKK-UHFFFAOYSA-N 318.442 3.524 0 40 DHAB O=C(NCC[C@@H]1CCCO1)c1ccccc1Nc1ccccc1 29653231 SDPLIWLSIFYCOE-INIZCTEOSA-N 310.397 3.729 0 40 DHAB O=C(NCCOc1ccc(F)cc1)c1csc2c1CCCC2 30132708 XMMWELPLIHETSR-UHFFFAOYSA-N 319.401 3.575 0 40 DHAB COc1ccc(NC(=O)Nc2cc(C)nn2C2CCCC2)cc1 32609639 VWLDHFQDKBTYLQ-UHFFFAOYSA-N 314.389 3.959 0 40 DHAB Cc1ccc2[nH]cc(C(=O)CN3CCc4ccccc4C3)c2c1 34764048 VRAPMIXOXZTORF-UHFFFAOYSA-N 304.393 3.717 0 40 DHAB Cc1nc(NC2CC2)sc1C(=O)NCc1ccccc1Cl 36366821 GDYFRKAEEQLYJE-UHFFFAOYSA-N 321.833 3.609 0 40 DHAB CC(C)Oc1cccc([C@H](C)NC(=O)CCc2ccco2)c1 36392714 BUFMSOMBFKXHHL-AWEZNQCLSA-N 301.386 3.877 0 40 DHAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 38832813 WRNMXHAPFJPEKZ-FXAWDEMLSA-N 322.452 3.776 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccs2)on1 43290568 SZKSAOQFFATBIF-NWDGAFQWSA-N 305.403 3.652 0 40 DHAB Cc1nc(C(F)(F)F)ccc1NC(=O)NCc1ccccc1 44676291 YCDFMUAMKSYFQS-UHFFFAOYSA-N 309.291 3.731 0 40 DHAB Cc1noc(-c2ccc(C(=O)N(C3CC3)[C@H](C)C(C)C)cc2)n1 46445615 NVGQWRLVTWOLBC-GFCCVEGCSA-N 313.401 3.694 0 40 DHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC[C@@H](C)C1 48256141 MGACOMNSTJGYMC-CYBMUJFWSA-N 317.433 3.853 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2noc(C(C)(C)C)n2)o1 48302899 FVOMCYOBYSTLAV-AAEUAGOBSA-N 303.406 3.716 0 40 DHAB CCC[C@@H]1CCCN(C(=O)Cc2sc(S)nc2C)CC1 61596396 KXJSCEBGPJZYFV-GFCCVEGCSA-N 312.504 3.712 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)CCc2ccccc2F)c1 65700413 HXRRCDXJXZYPQT-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB C[C@H](SC[C@H](O)c1ccccc1)c1nc(C(C)(C)C)no1 69290617 QSQICFOPRXNGHQ-AAEUAGOBSA-N 306.431 3.895 0 40 DHAB Clc1ccc(C2(NCc3noc(C4CC4)n3)CCC2)cc1 69809148 NAJOYYKOJQQVEJ-UHFFFAOYSA-N 303.793 3.769 0 40 DHAB CN(C)C(C)(C)CNCc1ccc(-c2ccccc2F)s1 71853266 CMMFWHKRFMDVHG-UHFFFAOYSA-N 306.450 3.984 0 40 DHAB O=C(NCCCc1ccccc1)c1cn[nH]c1-c1cccs1 72329471 KXVKGZLDDBNAHQ-UHFFFAOYSA-N 311.410 3.501 0 40 DHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CC(C)(C)C 72672990 RLPJXNQNQYXKHE-RDJZCZTQSA-N 300.446 3.566 0 40 DHAB C[C@@H](OC(=O)c1cc2cc(F)ccc2s1)c1cnccn1 75092157 AMKLVMDKAKIFEN-SECBINFHSA-N 302.330 3.748 0 40 DHAB O=C(CC1=CCCCC1)N(Cc1ccncc1)Cc1cccnc1 75138054 UEASWWWEWGYYPQ-UHFFFAOYSA-N 321.424 3.896 0 40 DHAB O=C(C[C@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccco1 84578918 CVAYIXFWHQDWSX-ZBFHGGJFSA-N 311.381 3.900 0 40 DHAB Cc1cccc(C)c1NC(=O)CN[C@H](C)Cc1ccsc1 95419324 JYLDHIHPOQQMMP-CQSZACIVSA-N 302.443 3.524 0 40 DHAB CC1(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CCC1 95437795 OJQPOLILRRYHGD-UHFFFAOYSA-N 318.804 3.986 0 40 DHAB Cc1nc2c(s1)[C@H](NC1CC(C)(C)NC(C)(C)C1)CCC2 95967161 UAZBAKHXBSZLSP-CQSZACIVSA-N 307.507 3.728 0 40 DHAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]1c1cccc2ccccc12 96404780 XHUPBAUHPCJXNU-UXHICEINSA-N 316.404 3.697 0 40 DHAB CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2COC)C1 96432334 QJBIQXSEAKAQPA-LSDHHAIUSA-N 307.459 3.579 0 40 DHAB CC[C@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccncc1 96434459 NIXBFAZUMFTZJK-INIZCTEOSA-N 311.385 3.679 0 40 DHAB CCc1ccc(CN(Cc2ccc(O)c(OC)c2)C2CC2)o1 97165662 UBSLYNFPEAVKSW-UHFFFAOYSA-N 301.386 3.721 0 40 DHAB Cc1ccc(CN[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 100809707 WDFCCTDHLGCQLU-CALCHBBNSA-N 318.461 3.921 0 40 DHAB CCOCOc1ccc(COC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 101957343 FZNSVUWAPAGXDU-HZPDHXFCSA-N 304.386 3.539 0 40 DHAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc2ccccc2c1 102127050 GIDIEUDYRSCPEQ-DIECFANBSA-N 309.365 3.525 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104803826 FPZOOMMOUIQVJK-LAQRGFTBSA-N 313.441 3.899 0 40 DHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 107489091 RXEHSKKJKXPXAL-CUSZFKRNSA-N 300.446 3.905 0 40 DHAB COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)C(C)C 191765446 BFBBZCTZYIHLJC-NSHDSACASA-N 314.813 3.626 0 40 DHAB CCOc1cc(C(N)=O)ccc1OCc1ccc(F)cc1Cl 216822448 SSEXYNYIUHIQDI-UHFFFAOYSA-N 323.751 3.556 0 40 DHAB CCNC(=O)c1ccc(OCC)c(COc2ccc(C)cc2)c1 224463402 CIGWTXLNOYLBLH-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB C[C@H](CNC(=O)CCc1nc2ccccc2o1)c1ccccc1 224948449 ZSTOCFUSLALIDP-CQSZACIVSA-N 308.381 3.680 0 40 DHAB Cc1ccc(N2N[C@@](C)(c3ccc(Cl)cc3)NC2=S)cc1 225341994 DDNKDZIRZBHZPX-INIZCTEOSA-N 317.845 3.720 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@@H](O)CNC1CCCC1)C2 230111420 ZBNAUCQADSOPHS-WFEDQXDTSA-N 309.494 3.501 0 40 DHAB O=C(CCc1cccs1)N1CCC[C@H]1CCc1ccncc1 257295059 QWUZWGBBQIFJBF-INIZCTEOSA-N 314.454 3.700 0 40 DHAB O=C(C[C@@H]1C=CCC1)N1CCC(OCCc2ccccc2)CC1 390834285 VTJJEXMRGUZVLU-GOSISDBHSA-N 313.441 3.593 0 40 DHAB Cc1nc(C2(NC(=O)[C@H](C)CC3CCCC3)CCCCC2)no1 523679697 QEGOFRVYLJIMSL-CYBMUJFWSA-N 319.449 3.870 0 40 DHAB Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cncc3ccccc13)CO2 547437202 TWSVDEJAXRQUQH-KRWDZBQOSA-N 318.376 3.966 0 40 DHAB Cc1cc(O)ccc1CC(=O)N1CCC=C(c2ccccc2)C1 1520162945 DKNGEXRNBWYKMH-UHFFFAOYSA-N 307.393 3.559 0 40 DHAB O=C(NCc1cccnc1)c1cc2c(ccc3ccccc32)o1 237588 XURRESLVFGSBKR-UHFFFAOYSA-N 302.333 3.911 0 40 DHAB CCO/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 2071035 TVUWMRNEJNELGL-ATVHPVEESA-N 307.349 3.559 0 40 DHAB COc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1 2387605 CDHPITZHHSXQSW-RVDMUPIBSA-N 311.362 3.936 0 40 DHAB COCc1c(C(=O)OCc2c(C)noc2C)oc2ccccc12 3450345 NGZWUSJQQYSXPC-UHFFFAOYSA-N 315.325 3.541 0 40 DHAB Cc1ccc(-c2csc3nc(C(F)(F)F)cc(=O)n23)cc1 3849192 OBNISPCFXUCLRQ-UHFFFAOYSA-N 310.300 3.750 0 40 DHAB biogenic FCCCOc1ccc(-c2nccc(-c3ccccn3)n2)cc1 4060615 NOTGKSZWXLCMRT-UHFFFAOYSA-N 309.344 3.944 0 40 DHAB Cc1cccc2c1N(Cc1ccccc1OC(C)C)C(=O)C2=O 4475992 LLIOPTRKUDJCRK-UHFFFAOYSA-N 309.365 3.512 0 40 DHAB CCCCOc1ccccc1CN1C(=O)C(=O)c2cc(C)ccc21 4537620 RLTMAFKMBSWQIR-UHFFFAOYSA-N 323.392 3.903 0 40 DHAB O=C(Oc1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 5577264 RAOMXIWCECZUSG-UHFFFAOYSA-N 300.354 3.537 0 40 DHAB NC[C@@H](O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 5933427 BHQZWHNQMWUCQP-QGZVFWFLSA-N 313.788 3.624 0 40 DHAB CCCCCNC(=O)CSc1ncnc2sc(C)c(C)c12 8428499 OWDOVGYEVGUBJX-UHFFFAOYSA-N 323.487 3.707 0 40 DHAB C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 8535064 HEYYIYIRJMJLED-GFCCVEGCSA-N 323.795 3.529 0 40 DHAB Cc1cccc2nc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cn12 8751599 RRPBKSSSZNXWEY-UHFFFAOYSA-N 323.371 3.587 0 40 DHAB O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCC1 8753946 GZWZYUWSTJBWHK-UHFFFAOYSA-N 321.355 3.524 0 40 DHAB CCc1ccccc1NC(=O)C(=O)NCc1ccc(C(C)C)cc1 9235574 RMPKOWVBRDRISN-UHFFFAOYSA-N 324.424 3.627 0 40 DHAB Cc1ccc(-n2ncc3c(NC(C)C)ncnc32)cc1Cl 10386321 RCQNDXOAPZRAMG-UHFFFAOYSA-N 301.781 3.598 0 40 DHAB CN(C)[C@@H](CNC(=O)Nc1cccc2ccccc12)c1ccco1 11004385 AOLDNGLXZVCIGD-KRWDZBQOSA-N 323.396 3.857 0 40 DHAB CC(C)=CC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 11583089 GTYINWGSKHPWAP-UHFFFAOYSA-N 306.361 3.950 0 40 DHAB COc1ccc([C@@H](NC(=O)Cc2ccsc2)C2CC2)cc1 12745798 USBQCLBMWIBKKQ-KRWDZBQOSA-N 301.411 3.567 0 40 DHAB CC(C)c1ccccc1NC(=O)CCNC(=O)c1cccs1 12975520 FDQONBWJPLNEJS-UHFFFAOYSA-N 316.426 3.630 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 14206268 SDBIICXOTJJAGE-INIZCTEOSA-N 322.408 3.603 0 40 DHAB O=C(/C=C/c1ccc(Br)s1)Nc1cccnc1 15435836 OKANXHGGCOPPTA-GQCTYLIASA-N 309.188 3.558 0 40 DHAB COc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1 15832326 RYIALMBQKVGMOC-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB CC(C)(C)C(=O)Cn1cc(-c2ccc(Cl)cc2)[n+]2c1CCC2 17014546 PRQFFQQBOMXXRY-UHFFFAOYSA-N 317.840 3.657 0 40 DHAB Cc1ccn2cc(C(=O)N[C@H](C)c3cc4ccccc4o3)nc2c1 17369323 FFWLYDRAZLHTDU-CYBMUJFWSA-N 319.364 3.880 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 20455738 ILNQYTKEHSRJNL-JTQLQIEISA-N 323.751 3.894 0 40 DHAB COc1ccc(OCCCC(=O)N(C)C2CCCCC2)cc1 20462391 NPJLZBRXSCFHCM-UHFFFAOYSA-N 305.418 3.645 0 40 DHAB CC[C@@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237611 CEAMHLOINWOZPH-LLVKDONJSA-N 303.431 3.748 0 40 DHAB O=C(Cc1cccs1)NCc1ccccc1OC(F)(F)F 24866057 VVSMWMDUYPDSLE-UHFFFAOYSA-N 315.316 3.506 0 40 DHAB C[C@@H](c1nc(-c2cccs2)no1)N1CCc2ccccc2C1 26807466 QUCSUVGKKNYXFT-LBPRGKRZSA-N 311.410 3.917 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F 27927224 GOKGHNPZIZSZNV-UHFFFAOYSA-N 312.295 3.700 0 40 DHAB CCn1nc(C)c2c(C(=O)N[C@H](C)c3ccccc3)cc(C)nc21 28240870 KAYYCGYEPOFEIE-CYBMUJFWSA-N 322.412 3.559 0 40 DHAB CCC[C@@H](C)NC(=O)CSCc1csc(-c2ccco2)n1 31420607 YIEJTOWPBYOUEC-LLVKDONJSA-N 324.471 3.941 0 40 DHAB CCc1cc2c(=O)n(Cc3csc(C(C)C)n3)cnc2s1 31653644 MPZCISOWTWGVHL-UHFFFAOYSA-N 319.455 3.649 0 40 DHAB O=C(Cn1ccc2ccc(F)cc21)Nc1ccc2cc[nH]c2c1 32087488 JJMOQEODGYZMES-UHFFFAOYSA-N 307.328 3.900 0 40 DHAB COc1ccc(NC(=O)Cn2ccc3c(Cl)cccc32)cc1 32088724 HMGNZOPJTRJESV-UHFFFAOYSA-N 314.772 3.942 0 40 DHAB Cc1nc(-c2ccc(CCNC(=O)C3CCC3)cc2)cs1 32810835 FAOGHFOYDRUIEM-UHFFFAOYSA-N 300.427 3.577 0 40 DHAB Cc1ccc2c(Cn3cnc(Cl)c3Cl)cc(=O)oc2c1 36047712 GNHNMHFEJRWVPW-UHFFFAOYSA-N 309.152 3.653 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)[C@H]1Oc2ccccc2O[C@H]1C 36661294 XZRYDMSCDVGIAZ-ZQIUZPCESA-N 305.418 3.546 0 40 DHAB Cc1ccc(C(=O)NCc2nc(-c3ccccc3C)no2)cc1C 41152387 XYNCYVLLIWLTGO-UHFFFAOYSA-N 321.380 3.592 0 40 DHAB Cn1ccnc1[C@H](NCc1ccc(F)cc1F)c1ccccc1 42203559 KVBLZFWGUABOLK-QGZVFWFLSA-N 313.351 3.578 0 40 DHAB O[C@H](Cn1c([C@@H]2CCCO2)nc2ccccc21)c1ccccc1 65005823 PUEOZVNZXIRZHP-MSOLQXFVSA-N 308.381 3.621 0 40 DHAB O=C1C[C@H](C(F)(F)F)c2cnn(-c3ccccc3Cl)c2N1 66089612 GQMXUAYWIMRXGG-QMMMGPOBSA-N 315.682 3.514 0 40 DHAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc2nccnc12 71282560 WMNZQJNGWOJRLY-GFCCVEGCSA-N 307.357 3.531 0 40 DHAB Cc1ccccc1OCCNC(=O)/C=C/c1ccc(Cl)cc1 71989132 OLEBZMKCUJSUNC-DHZHZOJOSA-N 315.800 3.857 0 40 DHAB COc1cccc(CN(C)C(=O)c2ccc(-c3ccccc3)[nH]2)c1 72275485 TYLUXKRUIOFVIY-UHFFFAOYSA-N 320.392 3.963 0 40 DHAB COc1ccc([C@@H]2CCCN2Cc2nccn2C(F)F)cc1 73136035 PCCBPSQIQGMXOM-AWEZNQCLSA-N 307.344 3.624 0 40 DHAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc2ccccc2o1 75129984 TWNZGHSZRHMCPD-HNNXBMFYSA-N 323.396 3.760 0 40 DHAB CN(C)c1ccccc1CNCc1cccn1Cc1ccccc1 76020657 RAAXGBUQDGDHIB-UHFFFAOYSA-N 319.452 3.892 0 40 DHAB COc1cc(Nc2nc3ccccc3o2)ccc1N1CCCC1=O 76575310 OEZAAVJLABLOJP-UHFFFAOYSA-N 323.352 3.707 0 40 DHAB Cc1ncsc1CCSc1nnc(Cc2ccccc2)o1 77907083 XBZBFPUASAVDFV-UHFFFAOYSA-N 317.439 3.760 0 40 DHAB O=C(C1CCOCC1)N1CCCCC[C@H]1/C=C/c1ccccc1 84839191 LRAOKTNZEGJBDB-VYENPZKTSA-N 313.441 3.898 0 40 DHAB Cc1cccnc1[C@@H](NCc1c(C)nn(C)c1Cl)C(C)C 89700494 NYEZJLZTBLPLIG-AWEZNQCLSA-N 306.841 3.572 0 40 DHAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccccc1Cl 89895024 DQKOFKBKPIPTGW-LRDDRELGSA-N 303.789 3.582 0 40 DHAB c1ccc([C@@H](NCc2cccc(-c3nc[nH]n3)c2)C2CC2)cc1 91374789 KFORDNLSQFPQSQ-GOSISDBHSA-N 304.397 3.713 0 40 DHAB O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc2c(c1)COC2 91681618 DPLVKVQTEMOVNF-ZDUSSCGKSA-N 309.365 3.612 0 40 DHAB c1cncc(-c2cccc(CN3CC[C@H]4OCCC[C@@H]4C3)c2)c1 93505915 FWHWKMMKKANTJE-WOJBJXKFSA-N 308.425 3.750 0 40 DHAB O=C(/C=C/c1ccccn1)O[C@@H](c1ccccc1)c1ccccn1 95364779 YIJOFQCRSDYQCH-SJFMBGHLSA-N 316.360 3.823 0 40 DHAB Cc1cccc([C@H](C)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1 96437023 KEMKSPONGWJJQA-AWEZNQCLSA-N 318.442 3.848 0 40 DHAB CCOc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1CO 97011513 XFXZBXDEXPNHSI-KRWDZBQOSA-N 301.361 3.816 0 40 DHAB CCOc1ncccc1-c1nnc(-c2ccccc2Cl)o1 216609199 WJRGPNCLCROORL-UHFFFAOYSA-N 301.733 3.851 0 40 DHAB COc1cc(OC)cc(C(=O)NCc2cccc3ccccc23)c1 222931560 FHGQFHBQSCSHBD-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB C[C@H]1CCCCN1c1ccc(NC(=S)NC2CCCC2)cn1 224035082 ZXCCPBFSHDCMJO-ZDUSSCGKSA-N 318.490 3.689 0 40 DHAB CCN(Cc1ccccc1)C(=O)COc1cccc2c1CCCC2 224652879 VABAYAFSSQRVSW-UHFFFAOYSA-N 323.436 3.993 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)cn1 225894896 SSAUKQKQCXILHJ-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB Cc1cc(NC(=O)c2ccc(F)cc2)cc2sc(N)nc12 226310396 VAQCWRXBCYMOJL-UHFFFAOYSA-N 301.346 3.578 0 40 DHAB Cc1ccc(C[C@@H]2CCCN(C(=O)C3CCCCC3)C2)cn1 257240886 HVOZIFJSTOTEDT-KRWDZBQOSA-N 300.446 3.751 0 40 DHAB CCc1cc(C(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)on1 409412819 MHSGUBMFDOXCLV-JOCBIADPSA-N 310.397 3.549 0 40 DHAB Cc1cc([C@H](C)N2CC=C(C(F)(F)F)CC2)oc1C(=O)O 565599977 GSUBUWLCCYFLRN-VIFPVBQESA-N 303.280 3.542 0 40 DHAB Cc1c[nH]cc1C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 566093699 IEYZVACVDJEFEH-JTQLQIEISA-N 316.792 3.686 0 40 DHAB c1cncc([C@H]2CCN(Cc3csc(-c4ccco4)n3)C2)c1 573483248 JTNZLKPBIACPDA-AWEZNQCLSA-N 311.410 3.788 0 40 DHAB O=C(c1cc2ccccc2c(=O)o1)N1CC=CC12CCCCC2 585127458 AOJGFJNEUGPTQH-UHFFFAOYSA-N 309.365 3.508 0 40 DHAB COc1ccc(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)cc1 585283751 CHLOUBWJFGESSM-HNAYVOBHSA-N 317.429 3.505 0 40 DHAB O=C(c1ccc(F)cc1)c1cc2cc(Cl)ccc2oc1=O 952963708 YBESCBUWBSKRPK-UHFFFAOYSA-N 302.688 3.817 0 40 DHAB Cc1cccn2c(CNCc3ccc(F)c(Cl)c3)cnc12 1560303868 IEQQSMWNHBVSGS-UHFFFAOYSA-N 303.768 3.725 0 40 DHAB CCOc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 187738 PNNUBWKIHOHFFY-LFIBNONCSA-N 311.312 3.569 0 40 DHAB COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccccc1 250395 OIQILTOIIMBXGU-UHFFFAOYSA-N 304.733 3.771 0 40 DHAB O=C(Nc1cccc(F)c1)N(Cc1ccco1)C[C@@H]1CCCO1 257662 MCDKTGVDUNMRBR-INIZCTEOSA-N 318.348 3.632 0 40 DHAB COc1cccc(C=O)c1OC(=O)c1ccc2ccccc2c1 1163773 LPQYOQZLKXAJDM-UHFFFAOYSA-N 306.317 3.880 0 40 DHAB CCOC(=O)[C@@H](C)Sc1ncc(-c2cccc(Cl)c2)cn1 1397671 DSHQBGBKAJRFHI-SNVBAGLBSA-N 322.817 3.841 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc(C)c1C 3309336 WQWHOBKESKSMFX-UHFFFAOYSA-N 312.365 3.872 0 40 DHAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)s1 3389235 RJTXGQXPHRNDAT-ZETCQYMHSA-N 313.835 3.619 0 40 DHAB COc1ccc(/C=C/c2cc[n+](C)cc2)cc1CN1CCCCC1 5002268 WZVICSFMUMGMEG-VOTSOKGWSA-N 323.460 3.676 0 40 DHAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1F 5441206 BYHDDRDKRUWYKK-UHFFFAOYSA-N 312.344 3.595 0 40 DHAB Fc1cc2c(-c3nnnn3-c3ccccc3)c[nH]c2cc1Cl 5948177 BWPZRUCMQOGTDU-UHFFFAOYSA-N 313.723 3.603 0 40 DHAB CCCOc1ccc(C(=O)Nc2cccc(O)c2)cc1OCC 6891112 CQOOJPFKFIQAHQ-UHFFFAOYSA-N 315.369 3.832 0 40 DHAB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 6960324 XQGBSOPGRHDZAL-DEYYWGMASA-N 306.365 3.915 0 40 DHAB CC(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 6977488 JIFOUTVWXBXNGN-UHFFFAOYSA-N 307.349 3.591 0 40 DHAB NC(=O)c1ccc(OCc2csc(-c3ccsc3)n2)cc1 7822153 JSBNEPVXGDJACN-UHFFFAOYSA-N 316.407 3.550 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)CSCc1ccc(Cl)cc1 8293270 JXBWXTQHYGFFSC-UHFFFAOYSA-N 323.849 3.562 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCSC(C)(C)C)cc1C 8558449 CALWRLPPPUFWPV-AWEZNQCLSA-N 309.475 3.719 0 40 DHAB C[C@@H](NC(=O)CSc1ncccc1Cl)c1cccs1 8706042 SWELBYFYRNTAKS-SECBINFHSA-N 312.847 3.766 0 40 DHAB O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1nc2ccccc2s1 9313668 DSZNNXPJQRUMBY-KGLIPLIRSA-N 316.426 3.529 0 40 DHAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1 10332844 JPNOHXDLZWZNNT-UHFFFAOYSA-N 324.424 3.654 0 40 DHAB COc1ccc(OC)c(NC(=O)C2=Cc3ccccc3OC=C2)c1 12274552 KWJIBNSWVWTWDY-UHFFFAOYSA-N 323.348 3.632 0 40 DHAB Cc1ccc(-n2ccnc2SCC(=O)c2ccc[nH]2)c(C)c1 12540790 NYIFKLBQQICIAI-UHFFFAOYSA-N 311.410 3.792 0 40 DHAB CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1 14602604 IQUQCHLGZUKUDP-GOSISDBHSA-N 313.397 3.893 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)CSC[C@H]1CCCCO1 25119264 YYAWVDILWYQYIS-CYBMUJFWSA-N 303.427 3.961 0 40 DHAB CC(C)[C@@H](C)N(CC(=O)Nc1ccc(F)cc1Cl)C1CC1 26670116 URVBNQAKOGENGQ-LLVKDONJSA-N 312.816 3.927 0 40 DHAB N=C1S[C@@H](c2ccc(F)cc2)CC(=O)N1c1ccccc1 28296497 XBMWSNFITQQPPF-CQSZACIVSA-N 300.358 3.972 0 40 DHAB Cc1ccccc1N(CC(=O)c1ccccc1)C1=NCCS1 28527453 YZQXCBVAIJPDAC-UHFFFAOYSA-N 310.422 3.787 0 40 DHAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1O 29672868 SECFROHRBYESHD-UHFFFAOYSA-N 311.312 3.721 0 40 DHAB O=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1 32097163 OMNLCKRECVUWCY-UHFFFAOYSA-N 314.366 3.506 0 40 DHAB CSc1nc(C)cc(C(=O)Nc2ccc(Cl)cc2F)n1 32935237 NAYKUWSZBCRIKE-UHFFFAOYSA-N 311.769 3.552 0 40 DHAB C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 36392628 QPLLSSNCJQAQQC-MRXNPFEDSA-N 304.393 3.897 0 40 DHAB O=C(/C=C/c1cccnc1)NCCc1cccc2ccccc12 40090823 XEFKWNSYIVHFGH-ZHACJKMWSA-N 302.377 3.607 0 40 DHAB O=C(NCCSc1ccccc1)Nc1cc(F)ccc1F 40097410 KMNOHDMZVHTXRK-UHFFFAOYSA-N 308.353 3.879 0 40 DHAB COc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1OC 40097651 KJLKDBWPHXIIBG-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB COc1ccccc1CNC(=O)Nc1ccc(C)c2ncccc12 40104667 IUDLGDMWTQDHOL-UHFFFAOYSA-N 321.380 3.874 0 40 DHAB CC(C)OCc1ccc(CNC(=O)c2cc(F)ccc2F)cc1 40122262 NSBZBIVNLBKQGM-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccoc1 40555994 CPDSLGZQHJPARN-UHFFFAOYSA-N 307.353 3.732 0 40 DHAB O=C(NCc1cccc(Br)c1)c1cccc(F)c1 42238977 WIPSCIWVHJPJMA-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB CC(C)c1ccccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 42646488 BDHANEQUMXECBC-HNNXBMFYSA-N 324.424 3.668 0 40 DHAB Cc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)c(Cl)n1 44505562 RQJBOOYPQFHLPE-UHFFFAOYSA-N 322.742 3.915 0 40 DHAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1cccnc1 47465233 RYEYCZNEHLAMHG-UHFFFAOYSA-N 319.364 3.843 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(F)c(F)c1 48264383 PXVUXNAPXPDQJA-IAQYHMDHSA-N 312.360 3.682 0 40 DHAB CCn1c(CN[C@H]2CCOc3ccccc32)nc2ccccc21 54041126 DWIZOKZOSWEQIP-HNNXBMFYSA-N 307.397 3.670 0 40 DHAB C[C@H]1CCCC[C@@H]1OCCSc1nnc(C(F)(F)F)n1C 58245198 BJQUIFSDNUOHNE-UWVGGRQHSA-N 323.384 3.521 0 40 DHAB CCc1nc(CN(C)C(=O)[C@H]2C[C@H]2c2cccc(C)c2)cs1 69366919 MIKMPBAFGQYEMH-HOTGVXAUSA-N 314.454 3.776 0 40 DHAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1C 71796719 BAZLMZOEQBZFAC-IPMKNSEASA-N 323.440 3.504 0 40 DHAB CNc1ncc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1C 72219008 PAPYIOYNNYUPJJ-AWEZNQCLSA-N 305.422 3.894 0 40 DHAB O=C(NCC[C@@H](O)c1ccco1)c1ccc(-c2ccccc2)cc1 77111164 DUAVNSHOSVIMIU-GOSISDBHSA-N 321.376 3.800 0 40 DHAB C[C@H](Sc1cc(-n2ccnc2)ncn1)c1ccccc1F 77214126 CEZTWSXBPJOCHU-NSHDSACASA-N 300.362 3.655 0 40 DHAB Cc1ncc(C[S@](=O)[C@@H](C)c2ncc(C(C)(C)C)o2)s1 85225323 RGILLMGDOWZJGD-GWNMQOMSSA-N 312.460 3.747 0 40 DHAB NNc1cc(-c2nc(-c3ccccc3Cl)cs2)ccn1 89263544 YKWUEPTVLZIIHS-UHFFFAOYSA-N 302.790 3.811 0 40 DHAB CCc1ccc(-n2c(N)c(C(=O)NC(C)C)sc2=S)cc1 94992830 SBQBPDHGDBSZJD-UHFFFAOYSA-N 321.471 3.551 0 40 DHAB c1ccc2c(c1)CCSC[C@@H]2NCc1cn2ccsc2n1 95421032 RQICCPXNZCEZRG-HNNXBMFYSA-N 315.467 3.516 0 40 DHAB COC(=O)CC1(NC[C@@H]2C[C@H]2c2ccccc2)CCCCC1 95453403 ZNWCPXSYALLPKP-IRXDYDNUSA-N 301.430 3.646 0 40 DHAB COc1cc(C)c([S@@](=O)Cc2c(C)cccc2C)cc1OC 95960725 VEIKAGJIVQKAPH-JOCHJYFZSA-N 318.438 3.937 0 40 DHAB COC[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccco1 96478945 QZIKCHLVTQDXGC-FZMZJTMJSA-N 302.399 3.928 0 40 DHAB CCc1ccsc1CN[C@H](C)c1ccc([S@](C)=O)cc1 96479221 XXFCVBOWKNWSQX-MPBGBICISA-N 307.484 3.899 0 40 DHAB CS[C@@H]1CC[C@@H](NCc2c(C3CC3)nc3sccn23)C1 96494370 KZVRWVVVBBOMBH-VXGBXAGGSA-N 307.488 3.647 0 40 DHAB C[C@H](NC(=O)c1ccc(Br)o1)[C@H]1C[C@@H]2CC[C@@H]1C2 100625676 OSTCUPUZPHLOBB-LNFKQOIKSA-N 312.207 3.597 0 40 DHAB C[C@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1cccnc1 127974302 DJHZIJJMSLELOZ-GWCFXTLKSA-N 315.339 3.563 0 40 DHAB COC(=O)CCc1c[nH]c2cccc(OCc3ccccc3)c12 167639663 SPWDDJQHGZZWAV-UHFFFAOYSA-N 309.365 3.853 0 40 DHAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COCC(C)C)c1 224454036 ZJUBWPUSZKZYEW-CQSZACIVSA-N 307.434 3.786 0 40 DHAB CCOc1ccc(C(=O)NCCSC2CCCC2)cc1C 224653851 YGECCFLIPRRDPA-UHFFFAOYSA-N 307.459 3.799 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@@H](c2ccncn2)C1 257229262 FXJRWDPWDSBVGV-CQSZACIVSA-N 323.421 3.711 0 40 DHAB CC(C)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 408709421 SPJIKMQTSJSRDY-UHFFFAOYSA-N 316.445 3.835 0 40 DHAB Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(C(C)(C)C)o1 409206910 RDAKWNKZMWQMHS-UHFFFAOYSA-N 301.342 3.836 0 40 DHAB C[C@@H]1CN(C[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H](C)O1 575421951 DDYRRJSHTGELEI-UNIGVISCSA-N 324.262 3.662 0 40 DHAB CCCC1(O)CCN(C(=O)CC(C)(C)c2ccc(C)cc2)CC1 585083294 NZOVVUGOTFQDTC-UHFFFAOYSA-N 317.473 3.816 0 40 DHAB O=C(/C=C/c1ccco1)NC[C@@H](c1ccsc1)c1ccco1 675007786 PKVUPVJZBUIWMN-NFAHFFEMSA-N 313.378 3.896 0 40 DHAB NC(=O)c1c(C(F)(F)F)cc(-c2cccs2)nc1Cl 162943 ZKAHMMFRFHJEIJ-UHFFFAOYSA-N 306.696 3.581 0 40 DHAB CCOC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 165908 MZVGKOLXAQXCPL-UHFFFAOYSA-N 315.316 3.935 0 40 DHAB in-vitro CCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 176684 GTMMFYVEJWCVHT-YBEGLDIGSA-N 311.312 3.569 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nsnc2c1 267879 QSCVMONONLQIGT-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB COC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1Cl 563076 TZJVQIHEUBEQEW-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB CCCOc1cc2c(cc1Cc1ccc3c(c1)OCO3)OCO2 1582411 NPAWUTKQIOBBSN-UHFFFAOYSA-N 314.337 3.524 0 40 DHAB O=C(O)c1ccccc1C(=O)OC[C@@H]1CCCc2ccccc21 1599602 YDQXWAJRUNXAKE-AWEZNQCLSA-N 310.349 3.662 0 40 DHAB COc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 2378481 RDSGYZWFHYHMCG-UHFFFAOYSA-N 302.198 3.622 0 40 DHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2Cl)c1 2648702 IPAZGRKNSHCSGA-UHFFFAOYSA-N 302.761 3.859 0 40 DHAB COc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 3229494 NMMKWZPBPOAMAG-UHFFFAOYSA-N 323.441 3.936 0 40 DHAB Cc1ccc(Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 3566509 KHJGFBIZOGSEIJ-UHFFFAOYSA-N 311.772 3.938 0 40 DHAB Cc1ccccc1OC[C@@H](O)CN1C(C)(C)CCCC1(C)C 3615137 SEUANAVITZNMPH-INIZCTEOSA-N 305.462 3.778 0 40 DHAB O=C1[C@H]2CC=C(Cl)C[C@H]2[C@@H]2c3[nH]c4ccccc4c3CCN12 4025913 CQKQDDPDUJFJHB-JJRVBVJISA-N 312.800 3.756 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCCC[C@@H]1C 4169096 VTDUMFHAAHMNGU-MAUKXSAKSA-N 314.473 3.802 0 40 DHAB Cc1sc(N)nc1-c1ccc2c(c1)CCN2C(=O)C(C)(C)C 4929749 UGCSQNYHCGSUPG-UHFFFAOYSA-N 315.442 3.636 0 40 DHAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)C(C)(C)C)c2n1 5274362 PQRUUKJYRRYMHD-UHFFFAOYSA-N 323.440 3.969 0 40 DHAB O=c1cc2c(nn1Cc1cccc(Cl)c1)-c1ccccc1CC2 6243035 FIFZSZJEABPAAQ-UHFFFAOYSA-N 322.795 3.711 0 40 DHAB Cc1ccc(NC(=S)NC(=O)c2ccccc2F)c(C)c1 6400343 IVENBOJNGFLKPW-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB Cc1ccc2nc(SCC(=O)N3[C@H](C)CCC[C@H]3C)[nH]c2c1 6694387 ULIDUSJEAUCJSY-CHWSQXEVSA-N 317.458 3.753 0 40 DHAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)o1 7113327 FIBUWSHQVJNNSC-ZDUSSCGKSA-N 310.275 3.717 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)N2CCc3ccccc32)cc1 7790359 INMLDZAKVBVDMM-ZDUSSCGKSA-N 313.422 3.765 0 40 DHAB Cc1cc(NC(=O)C(F)(F)F)ccc1NC(=O)c1ccccc1 8071193 AJTWSCPKMDMJSY-UHFFFAOYSA-N 322.286 3.748 0 40 DHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCC1CCCC1 8293009 WXFDZVDRVWERSL-UHFFFAOYSA-N 322.836 3.707 0 40 DHAB CCOc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1 12527605 GTWPVBBDMDGFAU-NSHDSACASA-N 319.792 3.573 0 40 DHAB O=C(NCCCn1cnc2ccccc21)c1ccccc1Cl 12554812 WVYTZQDRFFZJKH-UHFFFAOYSA-N 313.788 3.510 0 40 DHAB COc1ccccc1CNC(=O)N[C@@H](C)CCc1ccccc1 12916044 TVXIRQXEOZGTSF-HNNXBMFYSA-N 312.413 3.516 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)on1 13985124 XABFZHYRJGPYEZ-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc(C)cc1 14021712 DEXRYUAJNYVNDS-DHZHZOJOSA-N 324.380 3.614 0 40 DHAB COc1cc(OC)c(NC(=O)Cc2cccc(F)c2)cc1Cl 14236481 HPQXJJOAYJPYIR-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccccc1 14396324 PHBSERFVWOLHRD-KDOFPFPSSA-N 313.397 3.730 0 40 DHAB Cc1nc(-c2cccs2)c(CC(=O)Nc2nccs2)s1 15840217 KGSLOQHOGXJHFO-UHFFFAOYSA-N 321.452 3.818 0 40 DHAB CCOC(=O)c1[nH]c2ccc(Br)cc2c1Cl 19770079 CMGCJTFXYGLJBM-UHFFFAOYSA-N 302.555 3.761 0 40 DHAB CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)c(N)c1 20484495 ACMPNAGPDJRRLR-UHFFFAOYSA-N 318.870 3.513 0 40 DHAB Cc1nc(-c2c[nH]c(C(=O)N(C)Cc3ccccc3)c2)cs1 21002677 ZBYJIFLEXXBWNJ-UHFFFAOYSA-N 311.410 3.719 0 40 DHAB CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OC)cc1 21836469 WTFMPWJUDAXNIX-QGZVFWFLSA-N 301.361 3.644 0 40 DHAB O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cccc(Cl)c1 22115075 NMPJFFWYEIIGFW-UHFFFAOYSA-N 312.678 3.991 0 40 DHAB in-vitro O=C(/C=C/c1ccco1)Nc1cccc(OCc2ccccn2)c1 26254706 VYHNCACGVPRKAP-MDZDMXLPSA-N 320.348 3.906 0 40 DHAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccccc1 31096898 ZYHALSRLDIBEAT-UHFFFAOYSA-N 311.385 3.725 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](C)C[C@H](C)C1 32870695 OWZRFNQQJWYJSP-STQMWFEESA-N 324.852 3.655 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1 35311696 UHLGHQWLEBOISN-QGZVFWFLSA-N 323.396 3.630 0 40 DHAB C[C@H]1CN(C(=O)/C=C/c2cccc(Cl)c2Cl)[C@H](C)CO1 36395332 KPDZZCIWAPVQEJ-JNQBIPAQSA-N 314.212 3.642 0 40 DHAB CN(C(=O)NC1CCCC1)[C@@H](c1ccccc1)c1ccccn1 36397083 JRNWEDSFKIQQSC-SFHVURJKSA-N 309.413 3.755 0 40 DHAB C[C@@H](CNC(=O)c1ccccc1F)Oc1ccc(Cl)cc1 41155700 LSCRYKVMPMRUPS-NSHDSACASA-N 307.752 3.676 0 40 DHAB COc1ccc([C@@H](O)c2ccc(Br)cc2)cc1OC 42268239 DGNNFTUOIOMNAX-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB Cc1ccccc1C(=O)c1ccccc1I 43210201 TXQMIDCLTZTGPJ-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB CCSc1nnc(SCC[C@H]2CCCCN2C)s1 44865559 UJEPMFGTYUSYAE-SNVBAGLBSA-N 303.522 3.617 0 40 DHAB O=C(CCc1ccccc1F)NCCc1ccc(Cl)cc1 47220838 DNXABELOWLEGHT-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(COC(C)C)c2)cc1F 48361699 RLWPHSOBIYMYBQ-UHFFFAOYSA-N 315.388 3.989 0 40 DHAB Cc1noc(C)c1CC(=O)NC1(c2ccc(Cl)cc2)CCC1 56378622 UZHZZJVPHQURRU-UHFFFAOYSA-N 318.804 3.683 0 40 DHAB Fc1ccc(COc2ccc(CSc3ncn[nH]3)cc2)cc1 58158261 LRCOWLFGDKQBIV-UHFFFAOYSA-N 315.373 3.815 0 40 DHAB CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccsc1 58581449 HZBZDYJCDBNHFG-CVEARBPZSA-N 306.475 3.676 0 40 DHAB Clc1ccc(CSc2nnnn2-c2ccccc2)s1 68846561 BYHIFCQPXXFHCL-UHFFFAOYSA-N 308.819 3.670 0 40 DHAB Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2ccc(F)cc2)n1 69218433 VPCVJVXHBAWZSO-GHMZBOCLSA-N 307.394 3.712 0 40 DHAB O=C(CCCOCc1ccccc1)N1CCC[C@@H]1c1ccccn1 69440411 PCYIHESKAIHKBV-LJQANCHMSA-N 324.424 3.742 0 40 DHAB CN(Cc1ccccn1)C(=O)Cc1cc(Cl)ccc1Cl 69492473 OGGDTZRDKPKYBU-UHFFFAOYSA-N 309.196 3.590 0 40 DHAB CC(C)OCCC(=O)Nc1ccc(F)cc1OCC(F)(F)F 70868215 IJVOLBIMMYQNEN-UHFFFAOYSA-N 323.286 3.520 0 40 DHAB CCCC(=O)Nc1ccc2nc(-n3nc(C)cc3C)sc2c1 72229628 RXVPMLVWNZCYHR-UHFFFAOYSA-N 314.414 3.837 0 40 DHAB O=S(=O)(CC1CCCCC1)N[C@H]1CCCc2ccccc21 72230350 OXLFUQQDFFOHSI-KRWDZBQOSA-N 307.459 3.564 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccco3)o2)cc1 72243285 FSSQPCBHKFWZSK-UHFFFAOYSA-N 310.309 3.750 0 40 DHAB Cc1ccc2oc(-c3cc(N)cc(Br)c3O)nc2c1 73634557 IWVNOTKIWXTBQY-UHFFFAOYSA-N 319.158 3.854 0 40 DHAB CC(C)[C@@H](CCO)NC(=O)Nc1ccc(-c2ccccc2)cc1 76068698 YAFDLJRGNUYEIL-GOSISDBHSA-N 312.413 3.882 0 40 DHAB O=C(Cc1cccnc1)N1CCC[C@@H]1c1cccc(Cl)c1 78927055 DUUUVHYMVHDMOT-MRXNPFEDSA-N 300.789 3.641 0 40 DHAB Cc1noc(C)c1N(C)C(=O)c1cccc(Br)c1C 78992091 GROKFUNKGHDHIE-UHFFFAOYSA-N 323.190 3.639 0 40 DHAB O=C(NCc1cc2ccccc2o1)N1CCc2sccc2C1 79557191 XLSVQZUPEPKIMQ-UHFFFAOYSA-N 312.394 3.762 0 40 DHAB CC(C)Cn1ccnc(S[C@@H](C)c2ccc(F)cc2)c1=O 94151304 ZHXIVYVTIFOWCV-LBPRGKRZSA-N 306.406 3.892 0 40 DHAB CC(C)[C@@H](NC(=O)N(C)C[C@H]1CCOC1)c1ccc(Cl)cc1 95964001 WEXDZBRWGNMWNT-CZUORRHYSA-N 324.852 3.715 0 40 DHAB Cc1nc(-c2cccc(C(=O)OCc3cncs3)c2)cs1 95997318 HDWMSVUWFHUTHX-UHFFFAOYSA-N 316.407 3.932 0 40 DHAB CCc1ncc(C(=O)Nc2c(F)cccc2NC2CC2)s1 96468169 SVJFQYPNVLVDAW-UHFFFAOYSA-N 305.378 3.671 0 40 DHAB O=C(Nc1cncc2ccccc12)c1cc(F)c(F)c(O)c1F 97112969 VIROQYPMMQNIQG-UHFFFAOYSA-N 318.254 3.610 0 40 DHAB Cc1ccc(C2=C[C@H](c3ccccc3)n3nc(C)nc3N2)cc1 100131717 CWUSRBONXABKAK-GOSISDBHSA-N 302.381 3.951 0 40 DHAB Cc1cccc(OCCNC(=O)c2cc3ccccc3o2)c1C 223951637 HDMWGLWDFVKCDT-UHFFFAOYSA-N 309.365 3.858 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)NCCc1ccc(F)cc1 224418581 WRNUHQNVLOOYNR-AWEZNQCLSA-N 315.388 3.514 0 40 DHAB CCCCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225378411 QKODJQXEFNPPRL-UHFFFAOYSA-N 314.838 3.603 0 40 DHAB CCCOC(=O)c1cc(N)ccc1Nc1cc(C)ccc1OC 225481783 KROBCZOKABDDNQ-UHFFFAOYSA-N 314.385 3.896 0 40 DHAB COc1ccc(CCCNC(=S)Nc2ccccc2F)cc1 225556120 ZZGBSIXMPWSXHW-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cccc(C)c1C 225744007 QLXUJQDAJSMNMJ-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB Cc1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C 226275769 RLCXKSYGYIXPEU-NSHDSACASA-N 300.324 3.875 0 40 DHAB O=S(=O)(NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2c1 247355269 XMNUTAZIQGENFZ-RRQGHBQHSA-N 315.438 3.554 0 40 DHAB Cc1ncsc1C(=O)N1CCCC[C@@H](c2ccccc2)C1 390829459 YZQDKONKLVWQEP-OAHLLOKOSA-N 300.427 3.861 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1ccc(C(F)(F)F)c(Cl)c1 575360558 JWRCYRKGYZQGHZ-UHFFFAOYSA-N 308.683 3.883 0 40 DHAB Cc1ccc(CN2C(=O)C[C@H]3[C@@H]2CCN3CCC(C)C)cc1C 585108972 JAAPVDRFPXVOLN-OALUTQOASA-N 314.473 3.525 0 40 DHAB C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1ccns1 585116885 LKYQIZQMUALEEV-SECBINFHSA-N 306.822 3.866 0 40 DHAB CN1CCC[C@@H](Cc2cccc(-n3cnc4ccccc43)n2)CC1 585263457 ZRZXYORSBPGCBI-MRXNPFEDSA-N 320.440 3.695 0 40 DHAB Cc1ccc(Nc2nnc(-c3csnn3)s2)c(Cl)c1 1775968211 NCJPBXZPVKZIQF-UHFFFAOYSA-N 309.807 3.762 0 40 DHAB c1coc([C@@H](CNc2ncnc3cnccc23)c2ccsc2)c1 1775971228 KZBXORBBOOLFFG-AWEZNQCLSA-N 322.393 3.923 0 40 DHAB Cc1ncnc(C(=O)Nc2cccc(C(F)(F)F)c2F)c1C 1889125183 GHJGLFXCWXXRDF-UHFFFAOYSA-N 313.254 3.504 0 40 DHAB Cc1nnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1 364214 ITMYVGBVWNHRNL-LLVKDONJSA-N 303.431 3.787 0 40 DHAB CCC(=O)Nc1nc(C)c(C(=O)Nc2cccc(Cl)c2)s1 412872 IIHVUMONYYRMLV-UHFFFAOYSA-N 323.805 3.706 0 40 DHAB COc1cc2c(cc1OC)/C(=C\c1ccc(C)cc1)C(=O)OC2 2111448 YIDGLCMYDHLEBC-LZYBPNLTSA-N 310.349 3.610 0 40 DHAB biogenic Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1 3608071 SXCOEWUNFSJWLC-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB CCOc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OC 4681064 AFBTVQIRRKXBBS-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB O=C1NC(=O)/C(=C/c2ccc3noc(-c4ccccc4)c3c2)S1 5013233 DDNDABHHWFQPBA-ZROIWOOFSA-N 322.345 3.819 0 40 DHAB Cc1nc2ccc(NC(=O)c3cc(Cl)ccn3)cc2s1 5269648 NMSMPALYUGTDRO-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB O=C(OCc1nc2ccccc2s1)c1ccc2nccnc2c1 5419722 RTONANJAADFHFK-UHFFFAOYSA-N 321.361 3.597 0 40 DHAB CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2Cl)c1 5421826 AVTMRLGAVDQIRO-UHFFFAOYSA-N 316.788 3.571 0 40 DHAB Cc1cc(=O)oc2cc(Oc3ncnc4ccccc34)ccc12 5697457 YYBWPPTZCYIXTP-UHFFFAOYSA-N 304.305 3.837 0 40 DHAB O=C(COCc1nc2ccccc2s1)NC1CCCCCC1 6789321 DZSYVLRGRXYFBV-UHFFFAOYSA-N 318.442 3.652 0 40 DHAB CC(C)OC(=O)c1cccc(OCCOc2ccccc2)c1 6884096 VKFUYFDKLXCWJD-UHFFFAOYSA-N 300.354 3.710 0 40 DHAB O=C(Oc1ccc2sc(=O)oc2c1)c1ccc(Cl)cc1 7062596 MSEHZJDIJIQEBK-UHFFFAOYSA-N 306.726 3.727 0 40 DHAB COc1ccc(OC)c(C(=O)Nc2nc3ccccc3s2)c1 7473314 ROUDTTUUUDXUPK-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB Cc1cc(C)cc(C(=O)OCC(=O)c2ccc(F)c(F)c2)c1 7814555 ABKNZDXANJNMRI-UHFFFAOYSA-N 304.292 3.621 0 40 DHAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NCCC(C)C)s1 7983786 GZIZFTSVRZYJPQ-UHFFFAOYSA-N 320.433 3.962 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2c[nH]c3ccccc23)cc1 8982339 OZMKCTHLXBCUJJ-UHFFFAOYSA-N 322.408 3.604 0 40 DHAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1cc(C)ccc1C 9250267 OMZWLWOYNSMVQI-UHFFFAOYSA-N 321.424 3.680 0 40 DHAB CC(C)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1 10928439 QSOVXDWCNGLMLQ-UHFFFAOYSA-N 318.367 3.814 0 40 DHAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)Nc1ccc(F)cc1 12759180 SRFNPRHSWNNIOL-SNVBAGLBSA-N 319.357 3.643 0 40 DHAB CCc1cccc(C)c1NC(=S)NC(=O)c1cccc(C)c1 14001471 GJTHIACVPYMQCG-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB COc1ccc(C)cc1NC(=O)CNc1cccc2c1CCCC2 15123145 OHHRKLSIJNOIBM-UHFFFAOYSA-N 324.424 3.933 0 40 DHAB C[C@H]1C[C@H](C)CN(Cc2nnc(-c3ccccc3Cl)o2)C1 15257916 DTKCMYBIRBVHBW-RYUDHWBXSA-N 305.809 3.868 0 40 DHAB C[C@@H](Nc1ccc2c(c1)OCCO2)c1nnc(-c2ccccc2)o1 24515081 XYCFYIQZPICXIG-GFCCVEGCSA-N 323.352 3.681 0 40 DHAB COc1cccc(NC(=O)Nc2ccc(-n3ccnc3C)cc2)c1 28305313 GHOJBACJGORFHG-UHFFFAOYSA-N 322.368 3.833 0 40 DHAB CN(Cc1cccs1)C(=O)/C=C/c1cccc2cccnc12 32900170 IJRXSSBWOWZEPB-MDZDMXLPSA-N 308.406 3.968 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)cc1 32930929 MHOGLKQNUWIIOC-UHFFFAOYSA-N 319.408 3.979 0 40 DHAB CCOc1ccc(CN(C)C(=O)c2cc(Cl)ccc2O)cc1 36147332 IABJNNRUZPWAQJ-UHFFFAOYSA-N 319.788 3.717 0 40 DHAB C[C@H](Cc1ccccc1Cl)NC(=O)[C@@]1(C)CC1(Cl)Cl 36393971 VPYGOURQJVQYOU-NOZJJQNGSA-N 320.647 3.971 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)cc1OC 40487954 NERYXMVZVCBGIF-GOEBONIOSA-N 315.413 3.724 0 40 DHAB Cc1cccnc1NC(=O)N[C@@H]1CCSc2ccc(F)cc21 45234034 BRGZGXKGPGHFDL-CYBMUJFWSA-N 317.389 3.888 0 40 DHAB CN(C)[C@H](CNC(=O)CCC1CCCCC1)c1ccsc1 45443911 KDRLIQSTRYJIKD-MRXNPFEDSA-N 308.491 3.828 0 40 DHAB O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2F)c1 58644542 CUOXTLWFHULUEC-UHFFFAOYSA-N 317.270 3.542 0 40 DHAB COc1cccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 65467037 AWKDUMKNYUHFOY-HNNXBMFYSA-N 324.424 3.673 0 40 DHAB CC(C)[C@H](NC(=O)CC1CCCCC1)c1nc(C2CC2)no1 68051024 ZNHDTXDKDMOIBS-HNNXBMFYSA-N 305.422 3.731 0 40 DHAB Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72218708 RAGIZQPKTTXRSL-HNNXBMFYSA-N 319.449 3.918 0 40 DHAB Cc1cccc(-c2noc(C[S@@](=O)CC3CCCCC3)n2)c1 72242466 LDBCAVUXOWXDFW-JOCHJYFZSA-N 318.442 3.874 0 40 DHAB Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)O 72293299 IWHYAUQGNPZERJ-UHFFFAOYSA-N 306.159 3.881 0 40 DHAB C[C@H](NC(=O)N1CCC2(CCOCC2)C1)c1cccc(Cl)c1 76084549 DMTVAQKDRZSGRG-ZDUSSCGKSA-N 322.836 3.613 0 40 DHAB O=[S@](CCc1ccccc1)Cc1csc(-c2ccco2)n1 78602620 RPOYFODRHROLEZ-NRFANRHFSA-N 317.435 3.895 0 40 DHAB CC[C@@H](CC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1 78703427 LPXRAPNPYRPNHR-ZDUSSCGKSA-N 308.381 3.704 0 40 DHAB CCOC(=O)c1oc2ccc(Br)c(OC)c2c1C 85395619 ZOUPJFLWEQUKDH-UHFFFAOYSA-N 313.147 3.689 0 40 DHAB CCn1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cn1 89305735 OLYYRXKDIKMNKU-GFCCVEGCSA-N 320.462 3.625 0 40 DHAB c1csc(-c2nnc(Cn3ccc(-c4ccsc4)n3)o2)c1 89800103 PIMVLMDQEHCGGU-UHFFFAOYSA-N 314.395 3.771 0 40 DHAB CC(C)[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccn1 89801817 PYOAZLPTVHSORK-SJORKVTESA-N 301.434 3.753 0 40 DHAB c1ccc(C2(NCc3ccc(N4CCCC4)nc3)CCC2)cc1 89827731 UKFQDKQNMVTSNO-UHFFFAOYSA-N 307.441 3.851 0 40 DHAB Cc1cc(OCc2ccccc2)c2[nH]nc(Br)c2n1 91305965 QEWZPTZHWSIBOB-UHFFFAOYSA-N 318.174 3.608 0 40 DHAB Cn1ccnc1C[C@@H](Nc1ccncc1Cl)c1ccccc1 95408656 WMZDIVAFLQHPPN-MRXNPFEDSA-N 312.804 3.864 0 40 DHAB Brc1ccccc1OCCn1ccc(C2CC2)n1 95982544 SJEJNYUKMSGKED-UHFFFAOYSA-N 307.191 3.602 0 40 DHAB CCN(Cc1ccoc1)C(=O)Nc1ccc2c(c1)CCCO2 96403203 KAVJONNLEODFOU-UHFFFAOYSA-N 300.358 3.659 0 40 DHAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)n2ccnc2)o1 96433288 PPBJXTHUINBKFI-LZWOXQAQSA-N 315.417 3.599 0 40 DHAB CC[C@H](c1ccccc1)[S@](=O)Cc1nnc(C(C)(C)C)o1 97083489 MEARQZRGIPEEDO-ASSNKEHSSA-N 306.431 3.767 0 40 DHAB Cc1n[nH]c(C)c1CNc1ncc(C(F)(F)F)cc1Cl 97160210 LQMHBXGTLMKXKA-UHFFFAOYSA-N 304.703 3.706 0 40 DHAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccco3)C2=C(O)C1 102736473 WSAFZNGBGLLJJX-LBPRGKRZSA-N 300.318 3.534 0 40 DHAB CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(C)cc1 225486695 POPFRMNXIFZJKY-CQSZACIVSA-N 315.442 3.836 0 40 DHAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCC(C)C)n1 225892878 QVATXLQSUIVYIR-UHFFFAOYSA-N 316.430 3.520 0 40 DHAB CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cn1 225908964 CTOCHVQFETWYLU-UHFFFAOYSA-N 306.406 3.548 0 40 DHAB C[C@H](NC[C@@H](O)COCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 252505362 LPUMTQRKKILSNT-FLFBIERCSA-N 317.473 3.541 0 40 DHAB Cc1ncsc1-c1ncccc1C(=O)N(C)Cc1ccccc1 257334868 YHSOKPCFPURBCS-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB Cc1cccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)c1 408526723 AMIYRIUCCBCHIK-UHFFFAOYSA-N 308.312 3.810 0 40 DHAB Fc1ccc([C@H](NCCCn2cccn2)C2CCCC2)cc1 536951815 UFZAKSQZVKQNQL-GOSISDBHSA-N 301.409 3.933 0 40 DHAB CO[C@H]1CCC[C@H](Sc2nnc(-c3cccs3)n2C)C1 585118911 HRRBEFLXJPALDW-QWRGUYRKSA-N 309.460 3.593 0 40 DHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1cccs1 1775967080 DRSVIROOUUDTNL-SNVBAGLBSA-N 319.407 3.533 0 40 DHAB Cn1cc([C@@H]2CCCCN2c2nc3c(F)cccc3s2)cn1 1775975798 OEVLEMXYDXDSTJ-ZDUSSCGKSA-N 316.405 3.901 0 40 DHAB CCOc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 38169 GPEFVBWQQBDXEM-ROUUACIJSA-N 320.396 3.823 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1C 51894 KJSMSDYDEHVRQC-OAHLLOKOSA-N 318.417 3.641 0 40 DHAB CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1 136115 TYGPEXZRJYGQCT-PVAVHDDUSA-N 315.413 3.858 0 40 DHAB CCc1ccc(C(=O)c2c[nH]c3ccc(CC)cc3c2=O)cc1 248787 KZQSUPYALPYDIG-UHFFFAOYSA-N 305.377 3.884 0 40 DHAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3)NC(=O)CN21 540185 FNIOOKBXGRMMLD-VIOKTNGOSA-N 318.420 3.632 0 40 DHAB biogenic CCC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O 1708537 PNUYKJTZJOTASG-UHFFFAOYSA-N 308.333 3.965 0 40 DHAB Cc1ccc(C[C@](C)(O)C[C@@](C)(O)Cc2ccc(C)cc2)cc1 1723845 FLVGBGPUWNPAGH-SFTDATJTSA-N 312.453 3.981 0 40 DHAB Cc1ccc(Nc2nnc(-c3nn(C)cc3Cl)s2)cc1 2749234 PRRHDKOXVBTZGX-UHFFFAOYSA-N 305.794 3.644 0 40 DHAB Cc1sc2ncnc(OCCOc3ccccc3)c2c1C 3360680 QJKGRDKNHBKCDW-UHFFFAOYSA-N 300.383 3.766 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1ccc(C)o1 3431686 IZHHQGXVALIDRL-VQHVLOKHSA-N 314.337 3.556 0 40 DHAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccc1F 4331588 BSTMSISRQUKEPI-UHFFFAOYSA-N 308.284 3.966 0 40 DHAB COc1ccc2[nH]c(C)c(C(=O)CN3[C@@H](C)CCC[C@H]3C)c2c1 5119000 QUHNCOFYZXPAOI-BETUJISGSA-N 314.429 3.931 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(Cl)cc1 5510829 VHNREVVMXZZVBH-LBPRGKRZSA-N 319.788 3.605 0 40 DHAB COc1ccc(C(=O)CSc2nc3ccccc3nc2C)cc1 5724551 MEQYPZKTVIUMTO-UHFFFAOYSA-N 324.405 3.922 0 40 DHAB COc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1 6747330 OPKJKDVASHHZKL-UHFFFAOYSA-N 311.337 3.724 0 40 DHAB Cn1c(SCCOc2ccccc2)nnc1-c1cccs1 7078625 QKKLLIZGSZDFLC-UHFFFAOYSA-N 317.439 3.715 0 40 DHAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 7214736 CNDRDLNUDPYERN-AWEZNQCLSA-N 321.298 3.959 0 40 DHAB CCc1ccc2c(CC(=O)Nc3nnc(CC)s3)coc2c1 7347057 PISYCYRLAXPPGQ-UHFFFAOYSA-N 315.398 3.590 0 40 DHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccc[nH]1 7735989 NPGYTVVAGHWRTQ-UHFFFAOYSA-N 317.772 3.516 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 8856507 LEQYWQZDRATZMI-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CCCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9107388 DBXVCZRTXZCZAP-UHFFFAOYSA-N 322.408 3.905 0 40 DHAB CCCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 9164691 VCIIUTFUTQRSFF-UHFFFAOYSA-N 302.418 3.751 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)no1 9499456 YVXHGPGMBFTDJS-QMMMGPOBSA-N 315.156 3.696 0 40 DHAB CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 11922048 SXJFPIDEUZHKMI-UHFFFAOYSA-N 319.408 3.737 0 40 DHAB CC[C@@H]1CCc2sc(C(=O)NCCc3ccccn3)cc2C1 12645062 FLOVZCHLCWUSGM-CYBMUJFWSA-N 314.454 3.631 0 40 DHAB CC(C)c1ccccc1OC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCO1 13331585 FHMSCWHMBGXZSC-HOCLYGCPSA-N 319.445 3.651 0 40 DHAB C[C@@H]1CCc2c(sc3nc(CCc4ccccc4)[nH]c(=O)c23)C1 13998040 VUNNQMLLRKWWEL-GFCCVEGCSA-N 324.449 3.895 0 40 DHAB Cc1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)c1C 14181555 QRDZBSYXBCMXEH-UHFFFAOYSA-N 311.381 3.646 0 40 DHAB Cc1ccc(CNCc2ccc(N3CCCC3=O)cc2)c(C)c1 15580804 OHMBPLGFHXKJJC-UHFFFAOYSA-N 308.425 3.720 0 40 DHAB Cc1nc2ccccc2nc1-c1nnc(-c2ccncc2)s1 16265719 RXVCFLPWDZNVBV-UHFFFAOYSA-N 305.366 3.519 0 40 DHAB COc1cc(C(=O)Nc2cccc3cccnc23)cc(OC)c1C 21551673 TVLSTAOMLBVYOI-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1C 28464205 RRLXNGJNWPIHON-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB Clc1cccc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)c1 30824028 WLXCIAUBBAPUAS-UHFFFAOYSA-N 314.728 3.828 0 40 DHAB CCC[C@H](C)NC(=O)CSCc1csc(-c2ccco2)n1 31420610 YIEJTOWPBYOUEC-NSHDSACASA-N 324.471 3.941 0 40 DHAB CC(C)(C)OC(=O)N(CCC(=O)O)Cc1ccccc1Cl 32231744 XKQVBTHWANHZEG-UHFFFAOYSA-N 313.781 3.552 0 40 DHAB CC(C)(C)c1nc(-c2cc3c4c(c2)CC(=O)N4CCC3)cs1 32911924 NDSYVBGKWOTRMK-UHFFFAOYSA-N 312.438 3.943 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc(Cl)ccc1F 32931292 QRXBNTPMUXXPPV-IAQYHMDHSA-N 313.800 3.804 0 40 DHAB CC(C)c1cccc(OCC(=O)Nc2cccc3cn[nH]c23)c1 40087608 ONIPENOEIFPMSN-UHFFFAOYSA-N 309.369 3.704 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 40112875 HMSKLNMCTFAJQQ-NSHDSACASA-N 302.374 3.570 0 40 DHAB O=C(Cc1noc2ccccc12)N1CC=C(c2ccccc2)CC1 40465359 UWGGQTGLEDFVCB-UHFFFAOYSA-N 318.376 3.686 0 40 DHAB CN(CC1CCOCC1)c1ncc(C(F)(F)F)cc1Cl 42783544 MPROCLVEFOAPRU-UHFFFAOYSA-N 308.731 3.617 0 40 DHAB CSc1ncccc1C(=O)N(Cc1ccsc1)C1CC1 44446548 WQMGWRRUIDLCDJ-UHFFFAOYSA-N 304.440 3.670 0 40 DHAB O=C(Cc1noc2ccccc12)N1CCC[C@@H]1c1ccsc1 44940630 YYKQMNAVIKGZHK-OAHLLOKOSA-N 312.394 3.796 0 40 DHAB O=C(CCc1ccccc1F)Nc1ccc(Cn2cccn2)cc1 47176934 ZMFFHZGEIGZUEL-UHFFFAOYSA-N 323.371 3.642 0 40 DHAB O[C@H](CNc1ncnc2c1oc1ccccc12)c1ccccc1 48326891 FDQNBAZRAAWJCR-CQSZACIVSA-N 305.337 3.522 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nc1cc(N)ccc1C 57340152 VVCGUSZZMSZZKH-UHFFFAOYSA-N 306.365 3.991 0 40 DHAB CCCc1cc(NCc2c(C)cc(C)cc2C)n2ncnc2n1 63736288 NFXXKIRRLMKKSU-UHFFFAOYSA-N 309.417 3.614 0 40 DHAB Cc1noc([C@@H](C)NC(=O)Nc2ccc3c4c(cccc24)CC3)n1 69738171 TVWYLVPVOMSTBF-SNVBAGLBSA-N 322.368 3.513 0 40 DHAB CC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 71914747 LBYIJBCQFCKNFR-UHFFFAOYSA-N 322.364 3.663 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)C[C@@H](C)n2cccc2)n1 72286824 DWKKCCIXPLXXBS-HUUCEWRRSA-N 317.458 3.958 0 40 DHAB CC(C)c1nnc(CN(CCc2cccc(F)c2)C2CC2)o1 72978032 FHPWUYJBJRFAAI-UHFFFAOYSA-N 303.381 3.539 0 40 DHAB CC[C@@H](OC(=O)C1CCN(C(C)=O)CC1)c1cccc(Cl)c1 79014796 NLUDSXNCLYHUOG-MRXNPFEDSA-N 323.820 3.593 0 40 DHAB CCc1nc2cc(NC(=O)c3cnc4ccccc4n3)ccc2o1 83830572 MUNJPEDWKZPDFX-UHFFFAOYSA-N 318.336 3.586 0 40 DHAB COc1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)c(O)c1 83927861 VWTHPQJGLKPIFO-UHFFFAOYSA-N 323.348 3.591 0 40 DHAB Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1COc2ccccc21 84077357 VXFBCQPBDLDXAT-OAHLLOKOSA-N 311.381 3.939 0 40 DHAB Cc1ccc(-c2noc(CSC3=NCCS3)n2)cc1F 84185436 POBRDVIHLRTMHP-UHFFFAOYSA-N 309.391 3.520 0 40 DHAB CC(C)(C)c1nnnn1Cc1cccc(OCc2ccccc2)c1 84325453 XYFGRUJCXTZPAA-UHFFFAOYSA-N 322.412 3.598 0 40 DHAB O=C(c1ccccc1Oc1cccnc1)N1C[C@@H]2CCC[C@H]2C1 84497897 NXOAGNMAFQOJMA-GJZGRUSLSA-N 308.381 3.746 0 40 DHAB CCO[C@@H](C)c1nccn1Cc1nc(-c2ccccc2)oc1C 89521739 ATZNEGOGKDWYKK-AWEZNQCLSA-N 311.385 3.992 0 40 DHAB C[C@H]1C[C@H](N[C@@H]2CCc3[nH]ncc3C2)c2ccsc2S1 90455476 QXLKQBXMTODBIX-PXWWUCIGSA-N 305.472 3.544 0 40 DHAB c1csc(-c2nnc(CN3CCCc4sccc4C3)o2)c1 95398400 AUKWDPDCXWGTMG-UHFFFAOYSA-N 317.439 3.808 0 40 DHAB Cc1ccc(CCC(=O)N(C)[C@H](c2cccnc2)C(C)C)o1 95405769 YWOCPVRBDNSXQD-SFHVURJKSA-N 300.402 3.771 0 40 DHAB O=C(OCc1nc2ccccc2o1)C1(c2ccccc2F)CC1 95960523 UDLHJKNEFYHYKX-UHFFFAOYSA-N 311.312 3.742 0 40 DHAB c1ccc(N2CCC(Nc3cccc(-c4nc[nH]n4)c3)CC2)cc1 95983193 VTBKVQZWEMLZSO-UHFFFAOYSA-N 319.412 3.553 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 98211003 LESQEPMPGAJYER-CYBMUJFWSA-N 315.373 3.809 0 40 DHAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCC[C@H](c2nc3ccccc3o2)C1 102798812 KKUPGGATJAVMQL-WCVJEAGWSA-N 324.424 3.970 0 40 DHAB CCN(CC)C(=O)CSCc1ccccc1Br 185334584 YTDMXOQPHWUPLP-UHFFFAOYSA-N 316.264 3.551 0 40 DHAB CCOC(=O)c1ncc(-c2ccccc2Br)s1 199567279 TXZTYUYYOGIJAD-UHFFFAOYSA-N 312.188 3.749 0 40 DHAB COc1ccc(C(N)=O)cc1COc1ccccc1C(C)(C)C 224165289 OMXIXNSWLDVNEW-UHFFFAOYSA-N 313.397 3.671 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCCCCC1 224178300 KMNKDVHWYOXMRG-HNNXBMFYSA-N 301.430 3.735 0 40 DHAB CN(C)CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225597096 DTCNNDGMAZEAFY-UHFFFAOYSA-N 304.434 3.536 0 40 DHAB COc1cccnc1NC(=S)N[C@H](C)c1ccc(C)c(C)c1 225708952 KRVLEHBKQNKCOI-CYBMUJFWSA-N 315.442 3.755 0 40 DHAB CCCOc1ncc(NC(=O)C2(OCCC)CCCC2)cc1C 225909229 RIUCKXOSDXJXRZ-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB CC1(C)CC(=O)[C@@H]2C(c3cc(Cl)cc(Cl)c3)=NN[C@@H]2C1 228930480 AFVOKJASULFNCN-DGCLKSJQSA-N 311.212 3.675 0 40 DHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251242140 TWZNQAAHFWEOAF-APYUEPQZSA-N 307.821 3.802 0 40 DHAB O=C(Cn1cnc2ccccc21)N(CC1CC1)C1CCCCC1 542821095 XDDMISKMPJTSGI-UHFFFAOYSA-N 311.429 3.608 0 40 DHAB O=C(NCc1cncc(C2CC2)c1)C12CC3CC(CC(C3)C1)C2 575619247 JUWNPVGWEARKEI-UHFFFAOYSA-N 310.441 3.792 0 40 DHAB C[C@H](NCc1nc(Cl)cs1)[C@@H](c1ccccc1)N(C)C 585117202 URNSCCQITJBQFG-NHYWBVRUSA-N 309.866 3.578 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C)ccc1C 50365 JWVSKPGPYOGHGP-QGZVFWFLSA-N 313.353 3.602 0 40 DHAB O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1cccnc1 287051 RZSGJPAOJCLIKG-UHFFFAOYSA-N 311.128 3.551 0 40 DHAB CCOC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 348006 XHXKEAFSADRBAM-UHFFFAOYSA-N 306.365 3.775 0 40 DHAB COc1ccc(NC(=O)c2ccccc2)cc1Br 570565 NSURPSIMQRQEMS-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB O=C(CSc1ncccn1)Nc1cccc(Cl)c1Cl 581232 WVKHWLBREVANGS-UHFFFAOYSA-N 314.197 3.514 0 40 DHAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Cl)c(C)c1 1401761 XBQJJRAWHLNBPX-UHFFFAOYSA-N 309.818 3.801 0 40 DHAB CN(C)C(=O)c1cc(Br)cc(-c2ccccc2)c1O 1683544 OBBBMXXAGYJLCF-UHFFFAOYSA-N 320.186 3.524 0 40 DHAB Cc1cccc(N2CCN(C(=S)Cc3ccccc3)CC2)c1 1730971 SGZOVXZXWMCYNA-UHFFFAOYSA-N 310.466 3.687 0 40 DHAB CCCC[C@H](C[C@H](C)O)c1nnc(S)n1-c1ccccc1 2261970 KLIVYBXUYVJJHP-QWHCGFSZSA-N 305.447 3.601 0 40 DHAB CCCCCn1c(CCCNC(=O)CC)nc2ccccc21 2601791 LCIFOUZGFWVIFN-UHFFFAOYSA-N 301.434 3.685 0 40 DHAB Cc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c(C)c1 2713228 YYNQUSMWJBPWMP-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Oc2c(C)cccc2C)c(C)c1 3098848 WIYCTBCTXZGKSY-UHFFFAOYSA-N 304.411 3.996 0 40 DHAB C[C@@H]1CC(=O)c2sc(NC(=O)/C=C/c3ccccc3)nc2C1 3135693 BECDVWHGKFPJNO-AEZGRPFRSA-N 312.394 3.560 0 40 DHAB COc1cccc(C(=O)CSc2ncnc3ccccc23)c1 3333326 FQTAPVALGAXISY-UHFFFAOYSA-N 310.378 3.613 0 40 DHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 3411200 WDWNETUSTMWIQT-UHFFFAOYSA-N 306.724 3.690 0 40 DHAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)s1 3447708 ZCHFUMHRQSKXTB-UHFFFAOYSA-N 305.783 3.650 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3c(c2)CCC3)c1 3556182 XYXACIWXEXGNOO-YRNVUSSQSA-N 323.392 3.844 0 40 DHAB CSc1cccc(NC(=O)COc2ccc(C(C)=O)cc2)c1 3608056 ZQHAABLYFNPLLB-UHFFFAOYSA-N 315.394 3.629 0 40 DHAB CC1(C)C[C@H]2c3cccc(C(=O)O)c3C(=O)N2Cc2ccccc21 3881801 IWHFLGWVCGKJJO-INIZCTEOSA-N 321.376 3.763 0 40 DHAB biogenic O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1cccnc1 4329777 NMKDMMAYTLKYLZ-SFHVURJKSA-N 318.380 3.520 0 40 DHAB CCN(CC)c1ncnc2c1cnn2-c1cc(Cl)ccc1C 4354798 HIHODKVOJUEGEK-UHFFFAOYSA-N 315.808 3.624 0 40 DHAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)c(F)c1)c1ccccc1O2 4852737 MWJNVTDHVRIJIT-RHSMWYFYSA-N 316.307 3.734 0 40 DHAB CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 8709462 CFJVGDCHIRIMNS-UHFFFAOYSA-N 321.417 3.653 0 40 DHAB Cc1[nH]c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2c1C 9592889 OYMSWPXMQGIOEB-UHFFFAOYSA-N 308.337 3.766 0 40 DHAB CC(C)c1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1 13079765 CBKTWAKWOPEVIC-UHFFFAOYSA-N 313.353 3.526 0 40 DHAB O=c1[nH]c2ccc(-c3csc(Cc4ccccc4)n3)cc2[nH]1 14075805 ZEAKLZNHRFJKGH-UHFFFAOYSA-N 307.378 3.571 0 40 DHAB Clc1nc(N2CCN(C3CCCC3)CC2)cc2ccccc12 23079850 FVFLYILIQAUZBE-UHFFFAOYSA-N 315.848 3.953 0 40 DHAB Cc1c(C(=O)NCc2cccnc2)sc2cccc(F)c12 24769556 IHRSWGZWYXAAPX-UHFFFAOYSA-N 300.358 3.674 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 25250165 ILYHVRIYTXSMSD-OAHLLOKOSA-N 307.397 3.535 0 40 DHAB CCn1nc(C)c(C(=O)Nc2cc(C)nc3ccccc23)c1C 27983162 BFMUTGGMJSAGSJ-UHFFFAOYSA-N 308.385 3.629 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2ccc(Cl)cc2)cc1 31357377 YWTXMNBQADTTGS-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB COc1cccc2c1N(CC(=O)Nc1cc(C)ccc1C)CCC2 31581055 KVRQIJWTIFQBMA-UHFFFAOYSA-N 324.424 3.703 0 40 DHAB O=C(NC1CCCCC1)c1ccc(OCc2cccnc2)cc1 32034261 WSLQBVYFFOJQPX-UHFFFAOYSA-N 310.397 3.723 0 40 DHAB COc1ccc2nc(SCc3cn4c(C)cccc4n3)[nH]c2c1 32778920 KKAWNTVPBHHXKI-UHFFFAOYSA-N 324.409 3.820 0 40 DHAB Cc1ccsc1/C=C1/N=C(S)N(c2ccccc2)C1=O 34927079 KSKNANMBXPZWTL-FMIVXFBMSA-N 300.408 3.730 0 40 DHAB C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)C[C@H](C)O1 36022440 LKWNBNQTKONFGF-STQMWFEESA-N 301.411 3.665 0 40 DHAB CCCC[C@H](CC)CNC(=O)Nc1cccc(C(=O)N(C)C)c1 43993116 QYXYGKGGZVUMJX-AWEZNQCLSA-N 319.449 3.726 0 40 DHAB O=C(CCC(=O)c1cccs1)N[C@H]1CCc2cc(F)ccc21 55655349 IYGSWGHVSCZJTD-AWEZNQCLSA-N 317.385 3.654 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1cccc(F)c1 55863083 CBWCFUCRGTVSJO-KRWDZBQOSA-N 316.376 3.727 0 40 DHAB COc1ccc([C@H](C)NC(=O)CCc2cccs2)cc1OC 58699673 GCRBQPYTUKSILZ-LBPRGKRZSA-N 319.426 3.575 0 40 DHAB CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1Br 66338808 BRYNCODUELVAGI-UHFFFAOYSA-N 320.545 3.900 0 40 DHAB CCOC1CCN(C(=O)Nc2ccc(CCSC)cc2)CC1 69683494 XSVJDXNZFRONNT-UHFFFAOYSA-N 322.474 3.625 0 40 DHAB Cn1cc([C@H]2CCCN2Cc2csc(-c3ccccc3)n2)cn1 69740435 XAHUAMLQZNBALL-QGZVFWFLSA-N 324.453 3.881 0 40 DHAB COCCn1c(C(=O)Nc2ccc(OC)cc2)cc2ccccc21 72302632 CKKMKPNKKIOXHF-UHFFFAOYSA-N 324.380 3.549 0 40 DHAB Cc1ccccc1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330111 LKFGTAILKLBNKQ-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB c1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 72378658 ARYAAYBLDYTALS-GOSISDBHSA-N 318.424 3.647 0 40 DHAB CN1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 74713439 CNKMIEGSAQVYFT-UHFFFAOYSA-N 310.397 3.759 0 40 DHAB Cc1cnc([C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C2CC2)s1 75147733 JZKSVSIWHJJTRL-BZUAXINKSA-N 312.438 3.823 0 40 DHAB CSc1ccc(N2Cc3cc(Cl)ccc3OCC2=O)cc1 75165445 KOXNJMPREXRYKF-UHFFFAOYSA-N 319.813 3.988 0 40 DHAB CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(C)ccc2C)C1 76068741 OJUOBLSTJBTCCS-JKSUJKDBSA-N 320.502 3.848 0 40 DHAB CCC(CC)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 79361030 BODJALMZSGFOEX-LJQANCHMSA-N 301.839 3.593 0 40 DHAB Cc1cc(CC(=O)N2CCC[C@H]2c2ccccc2Cl)no1 84116990 YEWORCSEFXFMFN-HNNXBMFYSA-N 304.777 3.543 0 40 DHAB CCn1c([C@H]2CCCN2Cc2ccccn2)nc2ccccc21 84131218 XMAZGNJJDOEIJH-GOSISDBHSA-N 306.413 3.788 0 40 DHAB COc1cccc(-c2nc(C(=O)Nc3cccc(C)c3)c(C)[nH]2)c1 89672827 DMSYGEWUAOPFHC-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB O=C(NCc1ccncc1)[C@H]1C[C@@H]1c1cccc2ccccc12 89873210 BSDZZDIITXMLDZ-MOPGFXCFSA-N 302.377 3.655 0 40 DHAB COc1ccccc1/C=C/CN1CCN(C)CC12CCCCC2 93872023 QEOPDIFLYQYRTQ-CSKARUKUSA-N 314.473 3.659 0 40 DHAB C[C@H]1C[C@H](Nc2ccc(OCc3ccco3)c(Cl)c2)C(=O)O1 95395932 FFMRXFYGNQTBRU-HZMBPMFUSA-N 321.760 3.628 0 40 DHAB Clc1cccc(CNc2cnn(CCN3CCCCC3)c2)c1 95462163 DNHKPGXGNXTIPI-UHFFFAOYSA-N 318.852 3.635 0 40 DHAB Cc1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)cc1 96296231 XQQRFXSBQYURJL-INIZCTEOSA-N 314.429 3.854 0 40 DHAB biogenic,in-vitro CC(C)c1nc(CSCc2nnc(-c3ccccc3)o2)no1 96433437 HPCWEZFCVONNFT-UHFFFAOYSA-N 316.386 3.676 0 40 DHAB c1ccc(Oc2ccc(CN3CCC(c4nc[nH]n4)CC3)o2)cc1 97057388 GBLYZSXIGDPNNN-UHFFFAOYSA-N 324.384 3.570 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3CCOCC[C@H]3C)s2)o1 97081481 RFUJWOUOVMHGQT-LLVKDONJSA-N 305.399 3.568 0 40 DHAB Cc1csc([C@H](C)CNC(=O)N[C@@H](C)c2cc(C)oc2C)n1 97110432 JVBIFXMVWKJKQS-SKDRFNHKSA-N 321.446 3.825 0 40 DHAB CC[C@@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccs1 97234557 DOGQEFKLVUFHED-ZIAGYGMSSA-N 318.446 3.859 0 40 DHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 139628171 RLMGBYSIIULZOC-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1cccc(Cl)c1 199524668 DLBMUBXGPWDWIU-GFCCVEGCSA-N 320.709 3.820 0 40 DHAB Cc1cccc(CSCC(=O)NCCSC(C)(C)C)c1 222736841 UIKSJKWHFIFXRD-UHFFFAOYSA-N 311.516 3.876 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccccc2F)C(=O)O)c1 225052173 JLHLOPODMPKZRK-KRWDZBQOSA-N 302.345 3.826 0 40 DHAB CCC[C@H](C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225383900 UYJNTIIECNRJTE-ZDUSSCGKSA-N 319.474 3.597 0 40 DHAB Cc1ccccc1NC(=O)N[C@@H](C)Cc1ccc2c(c1)CCO2 225604089 IUGFNHSTCNKJKX-AWEZNQCLSA-N 310.397 3.683 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1C 225608903 YQPDEAWSXOOEFY-CQSZACIVSA-N 321.417 3.790 0 40 DHAB Cc1cccc(C(=O)Nc2c(C)cc(N)cc2Br)c1 226763043 UREPYLLJBVCRHZ-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Cc1nc2ccccn2c1CN[C@@H]1CCOC2(CCCCC2)C1 538425762 ADWLJRIIYRXFAR-MRXNPFEDSA-N 313.445 3.614 0 40 DHAB Cc1ccc(NC(=O)N2CCc3nc4ncccc4cc3C2)cc1 1890148122 HSZNDDSAQGCMCR-UHFFFAOYSA-N 318.380 3.528 0 40 DHAB COc1ccc(Cl)cc1C(=O)N1CCCc2ccccc21 30824 LKUMPECUFAVAJO-UHFFFAOYSA-N 301.773 3.942 0 40 DHAB Cc1cc2n(n1)[C@H](c1ccc(C(=O)O)cc1)Nc1c(C)cccc1-2 818099 GQUIHFVLSVGOSL-GOSISDBHSA-N 319.364 3.838 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2n1 1025913 MWSWUZHGKRTDBQ-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB CCCN(C(=O)CC)c1nnc(-c2ccc(OCC)cc2)s1 1345554 BKDJMESQQBBCNV-UHFFFAOYSA-N 319.430 3.757 0 40 DHAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 2626235 DDCVPGWIQGTRFV-UHFFFAOYSA-N 320.348 3.567 0 40 DHAB O=C(CCc1nc2ccccc2s1)NCc1ccc(F)cc1 3302412 SYDRJESTXPRSDL-UHFFFAOYSA-N 314.385 3.684 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1F 3394437 HPTQLZFMMCLMDT-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CC(C)CCC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)CS2 3450963 MUIBFMYWYSJMHZ-GFCCVEGCSA-N 320.458 3.675 0 40 DHAB C[C@@H]1CC[C@@](C)(C(=O)COC(=O)Cc2ccccc2)C1(C)C 3846156 YBVCFOOQPVLIPF-KUHUBIRLSA-N 302.414 3.804 0 40 DHAB biogenic O=c1nc(SCc2cccc(Cl)c2)c2c([nH]1)CCCC2 4317113 QFUCTLOXOIVHLL-UHFFFAOYSA-N 306.818 3.594 0 40 DHAB CCCCNC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 4680520 YHDWMQZZXSGOKY-UHFFFAOYSA-N 316.489 3.938 0 40 DHAB O=C(Nc1nnc(SCc2ccccc2)s1)C1CCCC1 5578861 PHYAJDJWOLRHAB-UHFFFAOYSA-N 319.455 3.959 0 40 DHAB COc1cc(NC(=S)Nc2ccccc2)cc(OC)c1OC 6229802 WWUSICZBNJPSDX-UHFFFAOYSA-N 318.398 3.521 0 40 DHAB CC(C)c1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 6315604 BFLIJDWICKUJGU-AWEZNQCLSA-N 315.438 3.950 0 40 DHAB O=C(Nc1cccc(Br)c1)c1cccnc1Cl 6330688 WAGSUBIHRINOTD-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB CC(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 6516289 UJTZPAZPOKXXGY-UHFFFAOYSA-N 306.365 3.904 0 40 DHAB CC[C@H](C)O[C@@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O 6934258 LRVJQCMQTQIIDZ-XOBRGWDASA-N 322.408 3.926 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2C[C@@H]1C 7114877 AIBCUUJDBNJJKX-HOTGVXAUSA-N 308.425 3.657 0 40 DHAB CC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)cc1C 9272033 OSMJDBIDTWGKBG-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB O=C(Nc1nnc(CCCc2ccccc2)s1)c1ccccc1 9698618 URSBJYBLVFVZLL-UHFFFAOYSA-N 323.421 3.966 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CNC1CCCCC1)C2 9970717 SFEWGPJTCPCSHS-KNIMUDFMSA-N 309.494 3.501 0 40 DHAB COc1ccc(OCCCCn2c(C=O)nc3ccccc32)cc1 11735029 FAVPQNSYYULHEE-UHFFFAOYSA-N 324.380 3.717 0 40 DHAB COc1ccccc1CNC(=O)C1(c2cccs2)CCCC1 12157782 ZTOQQAXPVHNHBA-UHFFFAOYSA-N 315.438 3.885 0 40 DHAB COc1ccc(NC(=S)NCCC2=CCCCC2)c(OC)c1 13817977 RBEZPPKVDCXKDR-UHFFFAOYSA-N 320.458 3.881 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c1C 15366681 YAMQUNVPHJAOOK-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB Cc1ccc(Nc2c3c(nc4ncnn24)CCCC3)cc1Cl 15786699 BQKWPINGSSNUJY-UHFFFAOYSA-N 313.792 3.709 0 40 DHAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)COc1ccccc1 15841859 RUNXHOREGDQYFZ-UHFFFAOYSA-N 318.376 3.511 0 40 DHAB CN(C)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 17112780 KAGQPWOYOQZXGZ-MRXNPFEDSA-N 307.478 3.702 0 40 DHAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCC(C)C 22237608 NUKXEIXLQLJFDU-UHFFFAOYSA-N 303.431 3.605 0 40 DHAB CN(C)c1cccc(C(=O)NCC2(c3ccccc3)CCCC2)c1 24762602 FAVIVTUJPYFDBL-UHFFFAOYSA-N 322.452 3.994 0 40 DHAB CC[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 24978852 PHRBRKTYPVZICI-ZDUSSCGKSA-N 323.845 3.812 0 40 DHAB COc1cccc2sc(NC(=O)c3cc(Cl)ccn3)nc12 28715102 LRJZIOPUGMMOPF-UHFFFAOYSA-N 319.773 3.606 0 40 DHAB Cc1cccc(CN[C@@H](c2cccc(F)c2)c2nccn2C)c1 30645411 SMEMXWBOYFKXAQ-SFHVURJKSA-N 309.388 3.747 0 40 DHAB COc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 30858419 DBUJYKQXJOFJPN-LBPRGKRZSA-N 303.789 3.769 0 40 DHAB Cc1nc(-c2ccncc2)sc1C(=O)NC1CCCCCC1 31868052 OACBRBIBQJWZNW-UHFFFAOYSA-N 315.442 3.966 0 40 DHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1CCCC1 40108476 GUIBWHVFUUWALD-NSHDSACASA-N 310.235 3.687 0 40 DHAB Cc1ccc(C)c(N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 48326221 UMTWLNMRYLNKJM-OAHLLOKOSA-N 314.404 3.902 0 40 DHAB COc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1OC 51354400 GZMRBMWAAWZSAR-UHFFFAOYSA-N 308.284 3.626 0 40 DHAB CCOc1cc([C@@H]2NCc3ccccc3-n3cccc32)ccc1O 55028073 UQNHPFXUEDWBHD-FQEVSTJZSA-N 320.392 3.774 0 40 DHAB Cc1ccc(C)c(OCCCCC(=O)Nc2cc(C)nn2C)c1 58171751 PYRLYTCWVPWVDH-UHFFFAOYSA-N 315.417 3.533 0 40 DHAB CC(C)C[C@@H](CNCc1ccc(OC(F)(F)F)cc1)N(C)C 58680533 RCZPUBWLCFOCSS-AWEZNQCLSA-N 318.383 3.651 0 40 DHAB O=C(c1cccc(C(F)(F)F)c1)N1CCCc2ncccc21 68119599 IFZCUZIKKHBFNB-UHFFFAOYSA-N 306.287 3.693 0 40 DHAB Cc1c(C(=O)N2CCC[C@@H](n3cccn3)C2)oc2c(C)cccc12 69418267 KEHRTTVQMMPZFJ-OAHLLOKOSA-N 323.396 3.723 0 40 DHAB Cc1nc([C@@H](C)NC(=O)N[C@@H]2CCc3ccc(F)cc32)cs1 71886659 MANMHWQHRAOYCO-YMTOWFKASA-N 319.405 3.638 0 40 DHAB Cc1cc(=S)[nH]cc1C(=O)CCCNC(=O)OC(C)(C)C 72218304 DLPNNCSCOVPNLW-UHFFFAOYSA-N 310.419 3.540 0 40 DHAB O=C(C/C=C/c1cccc(F)c1)N(Cc1cccnc1)C1CC1 75104143 IZUUIFRLVKYHRQ-GORDUTHDSA-N 310.372 3.815 0 40 DHAB CCN(C)c1ccc(CSc2nnc(CSC)o2)cc1 75146517 UKNVHIGKJQMZBS-UHFFFAOYSA-N 309.460 3.681 0 40 DHAB C[C@@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 79438549 CPRORZXBJYSPNC-HUUCEWRRSA-N 319.449 3.522 0 40 DHAB CN(C(=O)c1cc(-c2cccnc2)nc2ccccc12)C1CC1 83855503 KJBRCLRNJODRBZ-UHFFFAOYSA-N 303.365 3.531 0 40 DHAB COCc1ccccc1C(=O)Nc1ccc(-c2ccccc2)nn1 83914750 QVTKUUKUWUDFOR-UHFFFAOYSA-N 319.364 3.542 0 40 DHAB CCOc1ccc(-c2nc(-c3ccc(N)cc3)n[nH]2)cc1OCC 85385287 ZAJQYIIXWPTWQZ-UHFFFAOYSA-N 324.384 3.518 0 40 DHAB O=C(c1ccoc1)N(CCc1cccs1)Cc1ccoc1 90612378 SFSZQQXTGHYBRN-UHFFFAOYSA-N 301.367 3.819 0 40 DHAB CCN(C(=O)Nc1nc(C)c(C)o1)[C@H](C)c1cccc(O)c1 95955739 AIIGITWIDSMHRW-LLVKDONJSA-N 303.362 3.612 0 40 DHAB CCc1noc(C)c1NC(=O)Nc1ccc2oc(C)nc2c1 95974396 UUQSRRQMHDAXSN-UHFFFAOYSA-N 300.318 3.639 0 40 DHAB OCc1ccc(CNc2cc(F)ccc2N2CCCCC2)o1 96499637 ZMCVWHCOUPKGRL-UHFFFAOYSA-N 304.365 3.513 0 40 DHAB C[C@H](c1ccccn1)N(C)Cc1cnc(-c2cccnc2)s1 97113652 AYOOZIIJVRNMPG-CYBMUJFWSA-N 310.426 3.793 0 40 DHAB CCc1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 101029505 UNZGRXGWBHPYRL-SFHVURJKSA-N 302.381 3.897 0 40 DHAB COc1ccc2c(c1)CCC1=C2C[C@@H]2C(=O)[C@]1(C)CC[C@]2(C)O 104045862 CZAMTIBNIPMBOZ-RLLQIKCJSA-N 312.409 3.535 0 40 DHAB CC[C@H](C)NC(=O)CSCc1ccc(Br)cc1 107567808 HRRBPIXDWDRPNB-JTQLQIEISA-N 316.264 3.597 0 40 DHAB O=C(Nc1cccc(-c2ccsc2)c1)N[C@H]1C[C@H]2CC[C@H]1O2 108105189 WHIDLNDDPCOMKI-OWCLPIDISA-N 314.410 3.857 0 40 DHAB Cc1ccc(N(C)S(=O)(=O)c2cccs2)cc1Cl 113139576 NKCGPTJGMYWKIF-UHFFFAOYSA-N 301.820 3.535 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 113959672 DQFNOADMHNNLAW-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB CCOc1ccccc1C[C@@H](Oc1ccc(C)c(C)c1)C(=O)O 225105140 HJBRYCXDIZRPRF-GOSISDBHSA-N 314.381 3.777 0 40 DHAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccnc1 225432376 VIBCEJAXKSICGA-UHFFFAOYSA-N 302.333 3.565 0 40 DHAB COc1cccc(N(C)C(=O)c2cc(-c3ccccc3)on2)c1 225898277 BXPNVKBZVIQNCN-UHFFFAOYSA-N 308.337 3.627 0 40 DHAB CC1(C)CN(Cc2coc(-c3ccc(Cl)cc3)n2)CCO1 509053774 OFKLIGDULAQFAQ-UHFFFAOYSA-N 306.793 3.606 0 40 DHAB CSc1ccc([C@H](O)CNc2ncnc3ccsc23)cc1 1775972225 DKRALVCMZCHIQC-CYBMUJFWSA-N 317.439 3.559 0 40 DHAB Cc1cc(OC[C@H]2CCCN(c3ccncc3Cl)C2)ccn1 1776001456 UGCDHUREZHSNDP-AWEZNQCLSA-N 317.820 3.734 0 40 DHAB CC(C)(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 31487 RSLKMYVANZKTGF-UHFFFAOYSA-N 314.335 3.961 0 40 DHAB COc1ccc2oc(C(=O)c3ccccc3)c(NC(C)=O)c2c1 103667 ZMZXILFDAKLCAH-UHFFFAOYSA-N 309.321 3.631 0 40 DHAB COc1cc2ncnc(N[C@@H](C)c3ccccc3)c2cc1OC 116769 RJFMUYZWDLSYSX-LBPRGKRZSA-N 309.369 3.820 0 40 DHAB Fc1ccc(CCNc2ncnc3c2[nH]c2ccccc23)cc1 537316 KWXAJRLGHYMCNT-UHFFFAOYSA-N 306.344 3.905 0 40 DHAB O=c1oc2ccccc2n1CCOc1cccc2ccccc12 798153 SSBUVRGFNCPFJC-UHFFFAOYSA-N 305.333 3.827 0 40 DHAB Cc1ccc(C(=O)CSc2nc(C)ccc2C(=O)O)c(C)c1 1238805 XCUHBPRRZBXHEJ-UHFFFAOYSA-N 315.394 3.680 0 40 DHAB CC(C)OCCCNc1ncnc2c1[nH]c1ccc(Cl)cc12 2436855 GOIOZBRLYRRWQP-UHFFFAOYSA-N 318.808 3.992 0 40 DHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C1CC1)c1ccc(Cl)cc1 4882700 NQVALRZZPIFDRZ-ZXFUBFMLSA-N 318.848 3.618 0 40 DHAB Cc1ccc(-c2cc(NC(=O)COc3ccccc3)on2)cc1 5484240 KFNFYYFNJQNCGI-UHFFFAOYSA-N 308.337 3.668 0 40 DHAB CC(C)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 5632752 AECXKAALKZOVEC-UHFFFAOYSA-N 311.407 3.564 0 40 DHAB O=C(Cc1ccc(Br)cc1)n1cnc2ccccc21 5635590 FHLNDNGXIQFPEV-UHFFFAOYSA-N 315.170 3.682 0 40 DHAB CCC(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 6010868 DLSVWDOQBBLYHC-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1csc(NC(=O)c2ccc(OC(F)(F)F)cc2)n1 6888533 TZTLKYYNJHAHSD-UHFFFAOYSA-N 302.277 3.602 0 40 DHAB Cc1cc(C(=O)OCc2nc(-c3cccs3)no2)c(C)s1 7763280 XNLTVOWZWRDUIE-UHFFFAOYSA-N 320.395 3.833 0 40 DHAB COc1ccc(CN[C@H](C)c2ccccc2)c(OC)c1OC 8535330 SJXKXZOMERWMTI-CYBMUJFWSA-N 301.386 3.563 0 40 DHAB O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1cccs1 8845612 LWHBSCIWQSDSMY-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB CC(C)(C)NC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 9190511 DTAHUEJSARZAKM-UHFFFAOYSA-N 324.424 3.786 0 40 DHAB COc1cc(C)ccc1OCC(=O)N[C@@H](C)c1ccccc1C 9691433 YFDRDLOQPWHVKP-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB C[C@H](Sc1ncccn1)C(=O)Nc1ccc(C(C)(C)C)cc1 10861252 GWRFJIBZOWEXBI-LBPRGKRZSA-N 315.442 3.893 0 40 DHAB Cc1ccnc(NC(=O)CCSc2ccc(F)c(F)c2)c1 12542451 FTLMCLZFLFOKEA-UHFFFAOYSA-N 308.353 3.789 0 40 DHAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccn1 12787145 YKNFRWQGNGSTGS-GFCCVEGCSA-N 304.802 3.702 0 40 DHAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cl)c1 12994989 YVIFDUBHPVTXTK-UHFFFAOYSA-N 322.817 3.550 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1Cc2ccccc2S1 14047313 QYWHEIBSMNRKKV-GOSISDBHSA-N 322.433 3.544 0 40 DHAB COc1ccc(OC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 15833056 ZQVURQKURXDHKE-UHFFFAOYSA-N 309.321 3.878 0 40 DHAB Cc1ccccc1CCNC(=O)Cn1c(C)cc2ccccc21 16066253 BRLCKVSICOQFCJ-UHFFFAOYSA-N 306.409 3.617 0 40 DHAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1CC1 16837544 DIZMIHQVGDUUOB-UHFFFAOYSA-N 320.392 3.628 0 40 DHAB COc1cccc2c(Nc3ccc(C(=O)O)cc3)cc(C)nc12 20463434 CNFRTPSOHKRZON-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB CC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2C)c1 22905112 VGDPKRJZXKFMHT-UHFFFAOYSA-N 311.381 3.832 0 40 DHAB COc1ccccc1N[C@@H](C)c1nc(-c2cccs2)no1 27058314 NQQGAUJLMHSPJL-JTQLQIEISA-N 301.371 3.980 0 40 DHAB Cc1cc(S[C@H](C(=O)O)c2ccccc2)nc(C(C)C)n1 30822755 GUUAQCHBWTZRLJ-AWEZNQCLSA-N 302.399 3.826 0 40 DHAB O=C(Nc1cccc2cn[nH]c12)c1cc2cc(Cl)ccc2[nH]1 32760317 UTLQXWNENPBQOS-UHFFFAOYSA-N 310.744 3.950 0 40 DHAB Cc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2s1 41572274 KEUBRLULKDDSJL-UHFFFAOYSA-N 322.386 3.545 0 40 DHAB Cn1cc(C(=O)Nc2cccc(-n3ccnc3)c2)c2ccccc21 47533692 NAZTZFRTANRFFV-UHFFFAOYSA-N 316.364 3.616 0 40 DHAB CCCN(CCC)C(=O)CN1CCc2sccc2[C@@H]1CC 57625633 QCKIDDWCVFPHNR-HNNXBMFYSA-N 308.491 3.706 0 40 DHAB CCc1cccc(C)c1NC(=O)CNCc1cccc(Cl)c1 58160399 GANFEWGSISDXFK-UHFFFAOYSA-N 316.832 3.939 0 40 DHAB CC[C@@H](C)N(C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 58405887 UPGMDYHXTQQDAH-CVEARBPZSA-N 304.478 3.793 0 40 DHAB CCn1cc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cn1 58416971 DCLMYOOYWRJIQQ-ZDUSSCGKSA-N 323.396 3.807 0 40 DHAB CC(C)c1nc(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)cs1 65479253 SIBGSMCJSNMSHD-CQSZACIVSA-N 303.431 3.501 0 40 DHAB CCCCc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 68732632 BETKBXCQMKFHSI-UHFFFAOYSA-N 307.390 3.969 0 40 DHAB Cc1ccc(/C=C/C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1 69413821 JEAKQOQKPULJHX-FMQWLBJXSA-N 314.473 3.635 0 40 DHAB c1ccc2c(-c3nnc(SCc4cscn4)o3)c[nH]c2c1 69696821 ACGAANYLFLFHTC-UHFFFAOYSA-N 314.395 3.967 0 40 DHAB CCc1ccc(CNC(=O)c2cn[nH]c2-c2ccccc2)cc1 72328808 WICHKBLNGFNPQK-UHFFFAOYSA-N 305.381 3.569 0 40 DHAB COCCN(CC(F)(F)F)C(=O)c1ccc2sccc2c1 83902716 COTDTXIRFDGMJE-UHFFFAOYSA-N 317.332 3.552 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)ns2)cc1 84128909 GJCDXXSUJFWMOK-CQSZACIVSA-N 317.414 3.829 0 40 DHAB O=C(Cc1cccc(F)c1F)N1CC[C@@H](c2ccccc2)C1 87209903 RZTOJYNAWPILPM-OAHLLOKOSA-N 301.336 3.523 0 40 DHAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccc2[nH]ccc12 89774346 MCJFNUQFDCAFLC-CQSZACIVSA-N 312.413 3.780 0 40 DHAB CC(C)c1csc(NC(=O)C[C@@H]2OCCc3ccsc32)n1 89893534 XDTAHLRERIMBEW-LBPRGKRZSA-N 322.455 3.971 0 40 DHAB O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCCc3sccc32)C1 95423914 KPNPBGLPBDAABH-GOEBONIOSA-N 318.486 3.506 0 40 DHAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](C(C)C)S1 96118038 SEOCZJVLWDBOQT-AAEUAGOBSA-N 323.462 3.800 0 40 DHAB c1ccc(N2CCC[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 96216623 FNNJLNSPGQIVNU-SFHVURJKSA-N 313.470 3.636 0 40 DHAB Cc1ccc(F)cc1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 96416781 XORUDATYFCESNZ-INIZCTEOSA-N 315.344 3.554 0 40 DHAB O=C(NCc1ccncc1)Nc1ccc(CC(F)(F)F)cc1 96435240 MGHRGZHGTCXYOX-UHFFFAOYSA-N 309.291 3.508 0 40 DHAB COC(=O)c1sc(OC)c(Cl)c1OCc1ccccc1 96510975 DHNBDFACRXKMRY-UHFFFAOYSA-N 312.774 3.776 0 40 DHAB Cn1cnc(-c2ccc(NCc3ccc(Cl)c(F)c3)cc2)n1 97162141 SDLFRQMGLFYIGH-UHFFFAOYSA-N 316.767 3.887 0 40 DHAB CCCOc1cccc(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)c1 97372324 OQFHYPBGLFMCFI-NSHDSACASA-N 301.390 3.558 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 103075308 CFAOEUQRNMPLNQ-AAVRWANBSA-N 307.821 3.660 0 40 DHAB CCO[C@@H](C)c1nc(CN2CCS[C@@H](CC)C2)cs1 195531541 WHGHSJUVDVVJQZ-AAEUAGOBSA-N 300.493 3.568 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1CCCCCC1 206983088 OAJIFQKHYYFKAD-UHFFFAOYSA-N 305.418 3.543 0 40 DHAB CCc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 218954628 YLHSSKDWCFRDFX-INIZCTEOSA-N 311.425 3.765 0 40 DHAB Cc1ccccc1OCCNC(=O)[C@@H](C)Sc1ccccc1 223409684 NAPYICPVXSXQPJ-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 224175727 QTNNQTFBQHBHAD-ZDUSSCGKSA-N 323.845 3.563 0 40 DHAB COc1ccc(CCC(=O)NC[C@H](C)c2ccccc2)cc1C 225135339 YMSBLYAWRXZLJZ-INIZCTEOSA-N 311.425 3.856 0 40 DHAB Nc1cc(C(=O)NC2CC2)ccc1Nc1cccc(Cl)c1 225423527 WRVQRJMHFZBOKA-UHFFFAOYSA-N 301.777 3.558 0 40 DHAB CC(C)NC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1 225470827 APDUSQLLLLUKCM-UHFFFAOYSA-N 303.793 3.804 0 40 DHAB CCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)cc1)C1CC1 225722461 SCQWWZVHXASYRC-SFHVURJKSA-N 305.418 3.865 0 40 DHAB Cc1nn(CCNC(=O)[C@@H]2CC=CCC2)c(C)c1-c1ccccc1 238874698 NTJPCDNNYSACMG-GOSISDBHSA-N 323.440 3.639 0 40 DHAB CCCN(CCC)C[C@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 248341550 WLHJRBJPHRKJAX-SFNKJDCFSA-N 311.510 3.701 0 40 DHAB Cc1cccc(C[C@H]2CCCN(Cc3scnc3C)C2)n1 257277373 NXSOXVHHAKFKJN-OAHLLOKOSA-N 301.459 3.610 0 40 DHAB Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1 257312270 UNDJFGKIMXUGLW-KRWDZBQOSA-N 321.380 3.817 0 40 DHAB CC(C)(C)NC(=S)Nc1ccc(Oc2ccccc2)nc1 408588022 WAINZGURGWZVOJ-UHFFFAOYSA-N 301.415 3.959 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC2(CC1)C(F)(F)C2(F)F 585090262 MIGCMPREXILSLQ-SRVKXCTJSA-N 319.342 3.706 0 40 DHAB CO/C([O])=C(/NCCc1cccs1)c1ccccc1Cl 1560410867 UAOUZMSRGIIGBO-UHFFFAOYSA-N 308.810 3.937 0 40 DHAB CC(C)c1nc2sc3c(NN)ncnc3c2c2c1CCCC2 507696 YNNFTBBWYXPUDL-UHFFFAOYSA-N 313.430 3.527 0 40 DHAB CSc1nc2nc(C(F)(F)F)cc(-c3ccccc3)n2n1 1386222 JUIOZGLJKQGEPT-UHFFFAOYSA-N 310.304 3.532 0 40 DHAB Cc1cc(OC[C@H](O)CN[C@H](C)c2ccccc2)ccc1Cl 1469931 COZCCBGXWRWDCY-GDBMZVCRSA-N 319.832 3.739 0 40 DHAB O[C@H](CN1CCc2ccccc2C1)c1ccc2ccccc2c1 1600852 LVJSAEQFGSKBLO-OAQYLSRUSA-N 303.405 3.932 0 40 DHAB S=C(c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 1730962 IFHCOVSTSFDIFZ-UHFFFAOYSA-N 316.857 3.838 0 40 DHAB Cc1ccc(C[C@@H](Sc2nc3ccccc3[nH]2)C(=O)O)cc1 2797483 QATPKVVHVNKVMB-OAHLLOKOSA-N 312.394 3.659 0 40 DHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1 3361118 MKHJXYNVSZGSJY-AWEZNQCLSA-N 323.417 3.980 0 40 DHAB CCCCN(CC)c1ncnc2c1cnn2-c1ccc(C)cc1 4355048 KPFMNZLHUOGEOS-UHFFFAOYSA-N 309.417 3.750 0 40 DHAB CNC(=O)c1c(NC(=O)c2cc(C)ccc2C)sc(C)c1C 5144988 LKRGUEUVYANEHU-UHFFFAOYSA-N 316.426 3.594 0 40 DHAB CC(=O)Oc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1 5547243 OWWZORHRHPSBSF-UHFFFAOYSA-N 303.745 3.826 0 40 DHAB Cc1ccc(C)c(C(=O)CSc2nnc3n2CCCCC3)c1 6097335 MOYGJELTTACNMB-UHFFFAOYSA-N 315.442 3.596 0 40 DHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccccc3F)oc2c1C 6811349 RPUHBAHAFNPIOX-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB CCN(CC)c1ccc(-c2nnc(SC(C)C)n2C)cc1 6831362 VGPTYNNYPHPQIQ-UHFFFAOYSA-N 304.463 3.829 0 40 DHAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1 6852956 VEWZSUWXBOWEHM-ABAIWWIYSA-N 320.845 3.749 0 40 DHAB C[C@@H](Sc1ncccc1Cl)C(=O)N1CCc2ccccc21 8726222 UYXVVDOMROOEMF-LLVKDONJSA-N 318.829 3.805 0 40 DHAB Cc1ccc(C)c2sc(NC(=S)NC(=O)CC(C)C)nc12 9140741 DMSRJBXXKABGRU-UHFFFAOYSA-N 321.471 3.772 0 40 DHAB CCCCOc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1Cl 11614073 GXLLUEWPEBBHSP-NSHDSACASA-N 319.854 3.596 0 40 DHAB COc1ccccc1CN(C)C(=O)c1ccc2c(c1)CCCC2 12781099 PDHXVYLWMICNEX-UHFFFAOYSA-N 309.409 3.846 0 40 DHAB O=C(NCCc1cccc(Cl)c1)N1CCc2sccc2C1 12865858 PVRHYGUCNPFWTH-UHFFFAOYSA-N 320.845 3.712 0 40 DHAB O=c1[nH]c2ccc(-c3csc(NC4CCCCC4)n3)cc2o1 12943543 IJXJTECYFCAGPV-UHFFFAOYSA-N 315.398 3.989 0 40 DHAB Cc1ccccc1-n1ncc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 16837767 BBLZLLHUPZLXAO-OKILXGFUSA-N 321.428 3.606 0 40 DHAB CC[C@@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 18153131 JPTULZANJRJDLR-AWEZNQCLSA-N 321.376 3.717 0 40 DHAB Cc1cccnc1-c1cc(O)n2nc(-c3ccc(F)cc3)cc2n1 19237885 ZRXZBSHGPCNLSK-UHFFFAOYSA-N 320.327 3.611 0 40 DHAB Cc1cccnc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 22432358 VLHZCCUXMBAKMG-UHFFFAOYSA-N 304.777 3.840 0 40 DHAB CC(C)CNC(=O)CSCc1ccc(Cl)c(Cl)c1 22523556 DGQLEMCVSUXRNK-UHFFFAOYSA-N 306.258 3.999 0 40 DHAB C[C@@H]1CCCN(Cc2csc(NC(=O)C3CCCCC3)n2)C1 24887873 HSEHWURUCNKEBX-CYBMUJFWSA-N 321.490 3.894 0 40 DHAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1 27581059 ZLKZAIQNSYNJBT-UHFFFAOYSA-N 306.365 3.922 0 40 DHAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29482470 IFXMNTPZMWPJOE-GOSISDBHSA-N 308.425 3.861 0 40 DHAB COc1cccc2c1N(C(=O)Cc1ccccc1Cl)CCC2 30575890 QBZPIZSCVLNFTO-UHFFFAOYSA-N 315.800 3.871 0 40 DHAB CCCCC/C=C\C/C=C\[C@@H](O)C[C@@H](O)CCCCC(=O)O 31159406 JEJFTAIQLBEZLI-VTDBWWAPSA-N 312.450 3.826 0 40 DHAB biogenic,in-vitro COP(=O)(OC)[C@H](O)/C=C(/Cl)c1ccc(Cl)cc1 31910132 CNONALSSANSMRX-HUYFXPKMSA-N 311.101 3.724 0 40 DHAB O=C(OC[C@H]1CCCO1)c1cc(-c2ccco2)nc2ccccc12 32666409 WZDHJNUZGVOXMU-CYBMUJFWSA-N 323.348 3.831 0 40 DHAB Cc1cc(C)n(CCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 32906158 UGAUAVNHWLTESW-UHFFFAOYSA-N 311.307 3.548 0 40 DHAB CCC[C@H](NC(=O)c1ccc(C(=O)OC)s1)c1ccccc1 32906557 BOEMIEDWLQHKTI-ZDUSSCGKSA-N 317.410 3.806 0 40 DHAB CCc1cc(C(=O)Nc2cccnc2N2CCCC2)sc1C 32932426 KWSGVPCXERMHFW-UHFFFAOYSA-N 315.442 3.866 0 40 DHAB CCC/C=C(/CC)[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 33732301 DMZJJDDAKLEIIG-QMCCBHLPSA-N 312.413 3.944 0 40 DHAB Cc1cccc(C(=O)c2ccc(I)cc2)c1 36941480 JYRWERDOVMPFEW-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1F 39973907 AYEPZXFJGXBKSV-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Cc1nc(C)c(CC(=O)Nc2nc(-c3ccco3)cs2)s1 44451261 KDMNPFBYZNFOLT-UHFFFAOYSA-N 319.411 3.658 0 40 DHAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2SC)c1 44845261 XNFFZFGMWYUEJG-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB O=C(Nc1cccc(-n2cccn2)c1)N1CCc2sccc2C1 48554908 RRSLIYGXQLUNNG-UHFFFAOYSA-N 324.409 3.524 0 40 DHAB CN(Cc1ccccn1)C(=O)c1ccc(Cl)c2cccnc12 57229087 YWOBQUIKBFTQTE-UHFFFAOYSA-N 311.772 3.555 0 40 DHAB Cc1[nH]c2ccc(CNC(=O)N[C@@H](C)c3ccccn3)cc2c1C 58168914 NRTUDDWBPSXBKE-AWEZNQCLSA-N 322.412 3.740 0 40 DHAB O=C(c1nccc2ccccc12)N1CCC[C@@H]1c1ccncc1 58433333 VWSNBRDWPBWEMZ-QGZVFWFLSA-N 303.365 3.607 0 40 DHAB C[C@@H](c1cc(F)ccc1F)N1CCc2c(ncn2C2CC2)C1 69486175 CDMFKHJXVFXODL-NSHDSACASA-N 303.356 3.616 0 40 DHAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(C=O)cc1 72193606 QTRWGNPDTKBGGP-AAEUAGOBSA-N 313.180 3.996 0 40 DHAB CCNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72213111 RJISIDMAISVALM-QGZVFWFLSA-N 309.413 3.881 0 40 DHAB Cc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4CCC[C@H]4C3)s2)o1 79093673 BRXYQKLJDXTVCS-BETUJISGSA-N 316.426 3.892 0 40 DHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccsc2)o1 80349987 LUHKQRFWQWKACU-UHFFFAOYSA-N 322.386 3.618 0 40 DHAB Cc1nn(C)c(C)c1CCCNc1ccnc2c(C)cccc12 89265035 HMOKYDLSTSKSHN-UHFFFAOYSA-N 308.429 3.938 0 40 DHAB CCn1nc(C)c(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1C 89480840 VWXDUEQIMARMDV-LSDHHAIUSA-N 304.438 3.610 0 40 DHAB CCN(Cc1ccoc1)C(=O)Nc1ccc(OC)cc1Cl 96403200 PKJSXCYHDHDUIR-UHFFFAOYSA-N 308.765 3.996 0 40 DHAB Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](CN3CCCC3)C2)c1 96491517 AUCNKYMJRVVRFD-AWEZNQCLSA-N 321.852 3.598 0 40 DHAB COc1cc([C@@H](C)Nc2cccc(C)c2)ccc1S(C)(=O)=O 97037024 HJAVBVBKNXPEGD-CYBMUJFWSA-N 319.426 3.580 0 40 DHAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccco1 187956364 BVVJKFJHXHSLNV-UHFFFAOYSA-N 313.781 3.622 0 40 DHAB O[C@@H](CSCc1coc(-c2cccc(F)c2)n1)C(F)(F)F 191108767 WCAKGXWQDRXNHV-NSHDSACASA-N 321.295 3.637 0 40 DHAB COc1ccc(C[S@@](=O)CCc2cccs2)c(Cl)c1 195579405 ZJYYPVNCFCRCOA-IBGZPJMESA-N 314.859 3.902 0 40 DHAB CC(C)N(C[C@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)C(C)C 245229474 YTCOFICLLIPGED-BMFAXAFESA-N 311.510 3.698 0 40 DHAB Cc1c[nH]c([C@H]2CCN(C(=O)CCCC3CCCCC3)C2)n1 257203009 AOGUFXRYFQMMOZ-INIZCTEOSA-N 303.450 3.785 0 40 DHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cc2ccccc2o1 257225141 FFAIODAIVFRAGA-HKUYNNGSSA-N 312.413 3.522 0 40 DHAB CCOC(=O)CCCC(=O)c1cc(OC)c(Cl)cc1Cl 575361511 NLQGHCDHOJTJII-UHFFFAOYSA-N 319.184 3.918 0 40 DHAB COCCOc1cccc(-c2ccc(CCC(=O)O)cc2C)c1 579377777 YTYAIKZGEFAVBV-UHFFFAOYSA-N 314.381 3.704 0 40 DHAB Cc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585147903 GYSMMXNUHIASAU-SFHVURJKSA-N 321.376 3.718 0 40 DHAB OCc1cc(C(F)(F)F)ccc1-c1cnc2c(c1)CCCO2 623169570 HPCXPBCBUVCFTO-UHFFFAOYSA-N 309.287 3.585 0 40 DHAB COc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccccc3)c2c1 3346 IYDXCCUTILFHLE-JXMROGBWSA-N 320.392 3.549 0 40 DHAB biogenic Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1 994015 NBMAUUJKMSEULG-UHFFFAOYSA-N 310.309 3.686 0 40 DHAB COC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3n2C)C1(C)C 1426741 AXVQFNXCGIJSCL-XIKOKIGWSA-N 300.402 3.656 0 40 DHAB O=C1N[C@H](c2ccccc2F)Nc2sc3c(c21)CCCC3 2475846 CHQRPBMZELJAIE-AWEZNQCLSA-N 302.374 3.620 0 40 DHAB CCOC(=O)CCCCCC(=O)c1ccccc1CN1CCC1 2515649 XOYHVBYKBWZVDU-UHFFFAOYSA-N 317.429 3.589 0 40 DHAB CC(C)Oc1c(Br)cc(Br)cc1C=O 2764800 ICQMSJCTOWHBQM-UHFFFAOYSA-N 321.996 3.811 0 40 DHAB CCO/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21 3249376 UGFUJFDKZLACMS-LDADJPATSA-N 321.376 3.868 0 40 DHAB CN(CC(=O)c1ccccc1Br)C1CCCCC1 3294993 FYPBPBYWNCOALV-UHFFFAOYSA-N 310.235 3.896 0 40 DHAB Cc1cc(C)c(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1 3359395 QFLRWKNWLGUDDG-RRQGHBQHSA-N 303.446 3.932 0 40 DHAB COc1ccc(NC(=O)c2ccc3ccccc3n2)c(OC)c1 3450621 VTVIHKFJOXOTKH-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB COC(=O)c1ccc(COC(=O)c2oc3ccccc3c2C)cc1 3537264 NHGIHLYZYHBMOO-UHFFFAOYSA-N 324.332 3.885 0 40 DHAB COc1ccccc1CNC(=O)c1cc2c(s1)CCCC2 3614744 MLHUHXYGEHORLO-UHFFFAOYSA-N 301.411 3.566 0 40 DHAB COc1ccc2nc(Nc3ccc4c(c3)OCCO4)sc2c1 4232305 MXARFJYDBCQUET-UHFFFAOYSA-N 314.366 3.820 0 40 DHAB C[C@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]12 4353237 KNJHGAIWASQHSB-QSGLGXSPSA-N 312.365 3.603 0 40 DHAB COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1 5199257 GQEMLAWOCPRXFY-UHFFFAOYSA-N 320.776 3.540 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](O)c1ccccc1 6416438 SRJZGAYISXWETC-ABAIWWIYSA-N 304.777 3.584 0 40 DHAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccccc3)[nH]c2c1 6657569 RCGQASSEXBMTDU-NSHDSACASA-N 312.394 3.935 0 40 DHAB CSc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 7247441 CAALIJQMZLQHKX-UHFFFAOYSA-N 321.467 3.538 0 40 DHAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1 7541321 RXXBHQNVKODDBJ-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB CCc1ccc(NC(=S)NCCOc2ccc(C)cc2)cc1 7582745 MMJDRAXYGKGVQG-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB COC(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 7653968 YMKPRYXCZBVZIG-UHFFFAOYSA-N 305.333 3.879 0 40 DHAB COc1ccc(NC(=O)CCSCc2ccccc2)cc1 7685376 AZFOPZVPIFDNHZ-UHFFFAOYSA-N 301.411 3.957 0 40 DHAB Cc1ccc(CN(C)S(=O)(=O)/C=C/c2ccccc2)c(C)c1 7688437 GYUHPGVDILLMAD-VAWYXSNFSA-N 315.438 3.736 0 40 DHAB Cc1nc2cc(NC(=O)COc3ccc4c(c3)CCC4)ccc2o1 8131386 IUQXKPCDLQFPMG-UHFFFAOYSA-N 322.364 3.642 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1F)N1CC[C@@H]2CCCC[C@@H]2C1 8226025 OECUEFNXBZEQOJ-SOUVJXGZSA-N 304.409 3.665 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)NC(C(C)C)C(C)C 8498893 DFZPGIRQTVEOJM-CQSZACIVSA-N 307.434 3.649 0 40 DHAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cn1 8631611 PCRZAIHKXNCRHL-UHFFFAOYSA-N 311.168 3.578 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)NC12CC3CC(CC(C3)C1)C2 9967714 REXBCRQZKAOZLF-IHWZXDPASA-N 316.470 3.647 0 40 DHAB Cc1cc(-c2cnc(N3CCCCC3)nc2-c2ccoc2C)on1 12251517 RAULHQGNJRRRPY-UHFFFAOYSA-N 324.384 3.999 0 40 DHAB COc1ccc(C2(NCc3c[nH]c4cc(OC)ccc34)CC2)cc1 12361903 SOQDHXQUTLSAIQ-UHFFFAOYSA-N 322.408 3.964 0 40 DHAB O=C(Nc1ccccn1)c1cccc(NC(=O)c2cccs2)c1 12533717 MJDOPIPIGHDXLA-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB CCOc1cc2c(cc1NC(=O)Cc1cccs1)O[C@H](C)C2 12932070 CVAUCCBCWRXBHF-LLVKDONJSA-N 317.410 3.651 0 40 DHAB COc1cccc(CNC(=O)Cc2ccc3ccccc3c2)c1 12974717 BOFIJDZRRJFSIL-UHFFFAOYSA-N 305.377 3.707 0 40 DHAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccccc1F 15841846 LVVIJAHIJNZXGM-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB CC[C@H]1CCCCN1Cc1cc(=O)oc2c(C)c(O)ccc12 16445029 URMKPZLFZGJRDW-AWEZNQCLSA-N 301.386 3.572 0 40 DHAB Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 16968874 FBQFMZGBHJCNGR-UHFFFAOYSA-N 323.436 3.782 0 40 DHAB Cc1nc(NC(=O)c2ccc(OC(F)(F)F)cc2)sc1C 21359784 FGFPSJPGDWPIME-UHFFFAOYSA-N 316.304 3.911 0 40 DHAB C[C@@H]1CCc2nc(NC(=O)c3cccc(N(C)C)c3)sc2C1 21798038 GSGALCKOXAYYST-LLVKDONJSA-N 315.442 3.586 0 40 DHAB CC(C)c1cc(NC(=O)CN2CCC[C@H]2c2cccs2)on1 24232403 BILIQGANQGMWFA-ZDUSSCGKSA-N 319.430 3.635 0 40 DHAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccoc3)CC2)c(C)c1 24455068 PVSSVVVCOWALQM-UHFFFAOYSA-N 311.381 3.632 0 40 DHAB COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cn1 24604954 LCFAZBXYFLUGLY-UHFFFAOYSA-N 316.788 3.804 0 40 DHAB CNC(=O)c1ccc(Oc2ccc(-c3ccccc3)cc2)nc1 25067017 ZQDYQKAJLBLEJD-UHFFFAOYSA-N 304.349 3.901 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(C)s3)no2)cc1 27794953 SWFVLDXTAIOHDY-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB Cn1ccnc1[C@H](NCc1ccc(F)cc1)c1ccc(F)cc1 30644248 YYJXOLCJYSJXQK-QGZVFWFLSA-N 313.351 3.578 0 40 DHAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C)c1 30847238 YDTKFDZTYNHZHW-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB CC(=O)c1cc(Cl)ccc1OCc1noc(-c2ccco2)n1 31639008 CPFJYILYTVPFOP-UHFFFAOYSA-N 318.716 3.765 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)C1(c2ccccc2)CCOCC1 32689699 ZKVXSIRXCMGNRC-KRWDZBQOSA-N 323.436 3.921 0 40 DHAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1ccncc1 32726040 QFQXPSCSGXTAJZ-SNAWJCMRSA-N 318.808 3.548 0 40 DHAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccccc1 33326217 XYRWSEGFIUARRW-UHFFFAOYSA-N 324.405 3.903 0 40 DHAB CCc1ccc(NC(=O)c2cc3ccc(OC)cc3oc2=O)cc1 33809277 QTRJESFSBMTVHL-UHFFFAOYSA-N 323.348 3.616 0 40 DHAB Cc1nc(NC2CC2)sc1C(=O)NCCC1=CCCCC1 36358127 ZBHRFCYYRCIFMY-UHFFFAOYSA-N 305.447 3.646 0 40 DHAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccs1 40108874 FLERWCDVMZLKFM-UHFFFAOYSA-N 303.280 3.836 0 40 DHAB O=C(CCOCc1ccccc1)N[C@@H]1CCCc2ccccc21 40157257 UISJBYGTJNRPML-LJQANCHMSA-N 309.409 3.787 0 40 DHAB CSc1nc(C(=O)Nc2ccc(C)cc2C)c2ccccn12 40157945 LPQJCESRHAGTEJ-UHFFFAOYSA-N 311.410 3.925 0 40 DHAB CC(C)(C)C(=O)NCc1cccc(COCc2ccco2)c1 40515358 JXSMJQIXLGIYDR-UHFFFAOYSA-N 301.386 3.659 0 40 DHAB CCOc1ccc([C@@H]2OC(c3ccc(C)cc3)=NN2C(C)=O)cc1 41097594 BGZXRUVYMDJIBO-IBGZPJMESA-N 324.380 3.633 0 40 DHAB CC(=O)Oc1cccc(C(=O)c2ccc(C(F)(F)F)cc2)c1 43209847 PKBDOSQEZSSTPE-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N2CCCC2=O)cc1 43574190 GCYUXAAJMVQGKN-CZUORRHYSA-N 315.417 3.514 0 40 DHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccnc1S 47275370 ZLTQISYCSVNSDB-ZDUSSCGKSA-N 316.426 3.715 0 40 DHAB Cc1nc(C2(NC(=O)Nc3ccccc3Cl)CCCC2)no1 65515399 VUJXMFNGLPBRHB-UHFFFAOYSA-N 320.780 3.622 0 40 DHAB O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)[C@H]1CCCO1 71796414 SMTGAZPIURJEFB-MRXNPFEDSA-N 303.308 3.749 0 40 DHAB c1ccc(-c2nccn2Cc2coc(-c3cccs3)n2)nc1 71888740 UKESFSPUBCBETH-UHFFFAOYSA-N 308.366 3.710 0 40 DHAB COC(=O)c1cccc(OCc2ccc(Br)cc2)c1 72099899 MWZBDEZGVPHYDA-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cccc(F)c2)C1 72305931 DEDGLWDAROWTIX-PXAZEXFGSA-N 308.397 3.525 0 40 DHAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2ccccc2)n1 72378669 RYMWCKNZBJALRO-LJQANCHMSA-N 318.424 3.913 0 40 DHAB c1ccc(CN2CCC[C@@]3(CC2)CNCc2ccccc2O3)cc1 72394523 HGUVJQWYQSMLET-OAQYLSRUSA-N 322.452 3.594 0 40 DHAB C[C@H](NC(=O)NC[C@@H](C)Sc1ccccc1)c1ccncc1 76085226 REZIAJMVTLGKSA-KGLIPLIRSA-N 315.442 3.623 0 40 DHAB CC(C)(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Cl 89761610 YXRWVDBUCZGMLB-GFCCVEGCSA-N 317.216 3.761 0 40 DHAB O=C(CCCCCNc1ncccn1)Nc1ccc2[nH]ccc2c1 95478443 IMNYIOMCZALZAB-UHFFFAOYSA-N 323.400 3.569 0 40 DHAB CCc1nsc(N[C@H](C)c2nc3ccccc3n2CC)n1 95943712 YLBSLSYWFYPODT-SNVBAGLBSA-N 301.419 3.643 0 40 DHAB COc1ccc(C(=O)N(C)c2cc(-c3ccccc3C)[nH]n2)cc1 95961261 LMSHVTXLWKLQHD-UHFFFAOYSA-N 321.380 3.670 0 40 DHAB CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cccc(CO)c2)c1 95988795 ITIVZQKDAXNEIL-KGLIPLIRSA-N 312.413 3.549 0 40 DHAB O=C(/C=C/c1ccccc1)N(Cc1ccco1)C1CCOCC1 96025012 ACOCKOXGZJTUHB-CMDGGOBGSA-N 311.381 3.501 0 40 DHAB O=C(O)c1c2c(nc3ccccc13)N=CN(Cc1ccccc1)C2 96305912 OLZRXZGDTWAIIC-UHFFFAOYSA-N 317.348 3.609 0 40 DHAB CO[C@@](C)(CNC(=O)c1cccs1)c1cccc(Cl)c1 96392323 PIALWCMMVLYPSH-HNNXBMFYSA-N 309.818 3.693 0 40 DHAB C[C@H](NCCCc1cccc(F)c1)c1ccc([S@@](C)=O)cc1 96477400 GVABNABXBHEWNY-FPTDNZKUSA-N 319.445 3.847 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)N1CCCc2ccccc21 96586351 RWMZXLIHNKWLKY-UHFFFAOYSA-N 321.420 3.924 0 40 DHAB c1ccc(CN2C[C@H]3[C@@H](NCc4ccsc4)CC[C@H]3C2)cc1 97056998 JOLRAJSQTZKBJR-OTWHNJEPSA-N 312.482 3.748 0 40 DHAB O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1ccc(Cl)cc1 148701095 JZZMNCZCYBUDRL-UHFFFAOYSA-N 320.732 3.601 0 40 DHAB COc1ccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc2c1 197035497 ACFADGDAUGHGPC-UHFFFAOYSA-N 320.304 3.519 0 40 DHAB COc1ccccc1-c1nnc(-c2c(C)nc3cc(C)ccn23)o1 216609850 CIBBDJZNMHONOA-UHFFFAOYSA-N 320.352 3.677 0 40 DHAB COC(=O)c1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 216936607 GWGZVOGYNVARRM-UHFFFAOYSA-N 314.724 3.900 0 40 DHAB O=C(c1ccoc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219325084 GTJHOZCOCNXTNQ-OAHLLOKOSA-N 323.364 3.878 0 40 DHAB CCc1ccc(OCCNC(=O)c2ccccc2SC)cc1 223452850 KJCVJZCJAMJLKM-UHFFFAOYSA-N 315.438 3.780 0 40 DHAB CCOc1ccccc1C[C@H](Oc1ccc(C)c(C)c1)C(=O)O 225105180 HJBRYCXDIZRPRF-SFHVURJKSA-N 314.381 3.777 0 40 DHAB CC[C@@H](NC(=S)Nc1ccc(C)cn1)c1ccc(OC)cc1 225490872 AYKKYNXMIRHSGS-OAHLLOKOSA-N 315.442 3.836 0 40 DHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12 225895514 DPGNVOCSKINHQG-SFHVURJKSA-N 316.401 3.777 0 40 DHAB CCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)ncn1 253401386 MUAUNFNBJSUZBB-UHFFFAOYSA-N 319.364 3.795 0 40 DHAB CCOC(=O)c1cccc(CN(CC)C(=O)OC(C)(C)C)c1 685937479 XFUYKQOZDQNRDV-UHFFFAOYSA-N 307.390 3.620 0 40 DHAB Cc1ccccc1-c1ccccc1C(=O)N1Cc2cnn(C)c2C1 1569378847 BSPCVTCVOYVRRP-UHFFFAOYSA-N 317.392 3.552 0 40 DHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl 34431 GLDJTIBYIWYOML-NSHDSACASA-N 314.772 3.718 0 40 DHAB COc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(N)c2c1 52922 VNJATHHOCHNDFI-UHFFFAOYSA-N 301.729 3.908 0 40 DHAB COc1cccc(-c2nnc3sc(C4CCCCC4)nn23)c1 529471 DRHISYLJSSOZKF-UHFFFAOYSA-N 314.414 3.909 0 40 DHAB CCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 533107 YECLRRWRYMCKQN-OAHLLOKOSA-N 319.408 3.885 0 40 DHAB COC(=O)[C@]1(C)CCC(c2ccc(C)cc2)=C(CC(=O)O)C1 1729374 RFZTVGJNQLCFOY-GOSISDBHSA-N 302.370 3.587 0 40 DHAB in-vitro Cc1ccc(NC(=O)COC(=O)c2ccccc2F)cc1Cl 1960549 XFIOEXNPBVXDSJ-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 2499099 PCMCKCSSYOAPJI-NSHDSACASA-N 317.410 3.864 0 40 DHAB CCc1nnc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)s1 2659042 XRVYDRFNNCZVTJ-MRVPVSSYSA-N 307.444 3.539 0 40 DHAB CC(=O)c1cccc(NC(=O)c2c(Cl)nc3sccn23)c1 3235935 VHDRWAYTIOEMQP-UHFFFAOYSA-N 319.773 3.504 0 40 DHAB COc1cccc(/C=C/C(=O)Oc2cccc(Cl)c2)c1OC 3279348 TYXUKIHXXQAXMK-MDZDMXLPSA-N 318.756 3.976 0 40 DHAB CCCOc1ccc(C(=O)Nc2cccc3nsnc23)cc1 3902640 NJVVPYAGGZUPFW-UHFFFAOYSA-N 313.382 3.732 0 40 DHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(C)O 4691928 SLGYIGUMKJYZLP-ZBXKYCABSA-N 318.457 3.528 0 40 DHAB biogenic,in-vitro O=c1[nH]c(CSc2ccccc2Cl)nc2ccsc12 5171685 RSKGKPDGVOLDJY-UHFFFAOYSA-N 308.815 3.930 0 40 DHAB Cn1cc(NC(=O)NCc2c(F)cccc2F)c2ccccc21 5265736 JXRSRTGNYVUHMY-UHFFFAOYSA-N 315.323 3.778 0 40 DHAB COC(=O)N1CC(C)=C(C)CN1C(=O)Nc1cccc(Cl)c1 5415996 ZTKMIKDCZDVXGP-UHFFFAOYSA-N 323.780 3.507 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)N2c3ccccc3C[C@H]2C)c1 5899444 KYHCRSMOBUCKOW-KGLIPLIRSA-N 322.408 3.667 0 40 DHAB CCCN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O 6654753 KHLZBLOLYIYNDY-WWFUZLPXSA-N 318.354 3.597 0 40 DHAB CCCn1c(NC(=O)COc2ccc(C)cc2)nc2ccccc21 7738184 BWGYLESLYGRNOY-UHFFFAOYSA-N 323.396 3.772 0 40 DHAB C[C@H]1c2ccsc2CCN1C(=O)CCC(=O)c1cccs1 7829317 NGYKPNSLGXUDPA-NSHDSACASA-N 319.451 3.918 0 40 DHAB CCCc1nnc(NC(=O)Cc2cccc3ccccc23)s1 7981347 NXPVNLSEWSWQOO-UHFFFAOYSA-N 311.410 3.825 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(F)c1 8049121 LYBPSBUQYHHAMI-AWEZNQCLSA-N 309.287 3.900 0 40 DHAB O=c1[nH]c2ccc(-c3csc(COc4ccccc4)n3)cc2[nH]1 9450449 HNYLZWULRXOGSS-UHFFFAOYSA-N 323.377 3.559 0 40 DHAB Cc1cc2ncn(CCc3noc(-c4ccco4)n3)c2cc1C 9828035 KXLWPFYBKZYMDQ-UHFFFAOYSA-N 308.341 3.539 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)cc1 10329940 YNCLNFOZJHSSLZ-UHFFFAOYSA-N 324.424 3.706 0 40 DHAB COc1cc(SC)ccc1C(=O)N[C@@H]1CCc2ccccc21 10960290 YCSURZGNERGAQW-MRXNPFEDSA-N 313.422 3.834 0 40 DHAB Cc1cc(C)cc(OCCCn2c(C=O)nc3ccccc32)c1 11735045 LEXYWPGQARDSHX-UHFFFAOYSA-N 308.381 3.935 0 40 DHAB Cc1cccc(C(=O)Nc2nc(-c3cccs3)ns2)c1 11914414 IKNAFOIXTNUWBQ-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB CCc1ccccc1NCc1cc2cc(OC)ccc2[nH]c1=O 12493239 PMKALBWTCVOLHV-UHFFFAOYSA-N 308.381 3.711 0 40 DHAB Cc1ccc(-c2cc(COC(=O)Cc3ccccc3)no2)cc1 12725558 OVDJCYVUQZAGQF-UHFFFAOYSA-N 307.349 3.936 0 40 DHAB C[C@@H](Nc1nnnn1-c1ccccc1)c1ccc2ccccc2c1 12983445 HVZKJPAQNCCNML-CQSZACIVSA-N 315.380 3.989 0 40 DHAB O=C(CC1(C(=O)O)CCCC1)Nc1ccc(Cl)c(Cl)c1 13250083 MUZFBGUMZZOROH-UHFFFAOYSA-N 316.184 3.967 0 40 DHAB COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccccn1 13331877 FXDSKYLFTMHMFR-JTQLQIEISA-N 305.765 3.626 0 40 DHAB Cc1ccc2cc(CNCCc3ccc(F)cc3)c(=O)[nH]c2c1C 13566550 DCRZMQBMTMBLKA-UHFFFAOYSA-N 324.399 3.616 0 40 DHAB COc1cccc(NC(=O)CCn2ccc3cc(OC)ccc32)c1 13720717 JJMRQHCGYZCZFC-UHFFFAOYSA-N 324.380 3.687 0 40 DHAB Cc1cccc(NC(=O)NCC2(N(C)C)CCCCCC2)c1 14160622 IEKKDBFWKLSMGK-UHFFFAOYSA-N 303.450 3.771 0 40 DHAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1cnn(C)c1 14702575 JGDLDVBYNLAYFG-UHFFFAOYSA-N 300.402 3.691 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 15648529 JSNXPLQKHIIKME-DYVFJYSZSA-N 301.361 3.861 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccccc1Cl 15966666 FYMFUCJYTACBME-GFCCVEGCSA-N 303.789 3.769 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1 17297306 XVTHZTQWTROUJQ-CQSZACIVSA-N 317.816 3.775 0 40 DHAB CN(C)CCN(Cc1cccc(Cl)c1)Cc1cccs1 19582593 YYRBHKXQUAOACK-UHFFFAOYSA-N 308.878 3.965 0 40 DHAB O=C(Cc1cccs1)NCc1csc(-c2ccccc2)n1 20501512 PXHHAZPYFFSDKZ-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB Clc1cccc(CNC[C@H]2COc3ccccc3O2)c1Cl 21803542 ZWZBTDIUNCIXCZ-LBPRGKRZSA-N 324.207 3.923 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)cc12 22685125 KHIXPWZUJFHJDJ-FZMZJTMJSA-N 301.390 3.655 0 40 DHAB Cc1ncc(-c2ccc(NC(=O)CCc3ccccc3O)cc2)o1 29952916 VCJOSZGDYMEFIZ-UHFFFAOYSA-N 322.364 3.927 0 40 DHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Cl)o1 31266892 SWVCCQJMLKZFIJ-ZDUSSCGKSA-N 321.760 3.743 0 40 DHAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1sccc1C 44735410 BJBGGEYNGCAVIT-UHFFFAOYSA-N 314.410 3.509 0 40 DHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1C 45866125 LBUOTTBSOFQCMX-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1cc2ccccc2o1 52782532 SRZNCKGLFBXMFW-ZDUSSCGKSA-N 315.394 3.613 0 40 DHAB O=C(Nc1cccc(Cl)c1N1CCCCC1)C(F)(F)F 57316794 CKKJICNPYXQCFS-UHFFFAOYSA-N 306.715 3.831 0 40 DHAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1C 59351405 QYUVYUOIISYBPH-PPYMECGQSA-N 323.392 3.923 0 40 DHAB Cc1ncsc1CN(C)Cc1ncc(-c2cccs2)o1 67400179 RQBTTWNRLPXAMH-UHFFFAOYSA-N 305.428 3.800 0 40 DHAB CO[C@@H](C(=O)N[C@H](C)c1csc(C(C)C)n1)c1ccccc1 71907666 MZUSCJXMLYXXFT-IUODEOHRSA-N 318.442 3.831 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ccc(C2=NCCC2)cn1 72214659 RTHRGZOMZWUIOT-UHFFFAOYSA-N 303.406 3.816 0 40 DHAB CC[C@](C)(NCc1nc(-c2ccco2)no1)c1nc(C)cs1 72863913 GPRNHUGQHDJAPD-HNNXBMFYSA-N 318.402 3.510 0 40 DHAB O=C(Nc1cc(-c2ccccc2)on1)N1C[C@H]2CCCC[C@@H]2C1 85611008 LAHHYPDAIBETTG-HUUCEWRRSA-N 311.385 3.996 0 40 DHAB COc1ccc(CNCc2cc[nH]c2)c(OC2CCCC2)c1 89434904 DBFXKLQUFMZPAG-UHFFFAOYSA-N 300.402 3.635 0 40 DHAB C[C@H]1CCCCN1c1cc(C(=O)N2C[C@H](C)CC[C@H]2C)ccn1 95404766 RUDHCSFADAIWGF-OWCLPIDISA-N 315.461 3.721 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc3ccccc3c2)C1 95533126 ZIFHGHPZOZPZEN-FCEWJHQRSA-N 313.441 3.557 0 40 DHAB C[C@H](OC(=O)c1cc(F)c(O)c(F)c1)c1cc(F)ccc1F 95963493 UFBKEARLFYCLPC-ZETCQYMHSA-N 314.234 3.867 0 40 DHAB CC[C@H](Cc1ccccc1)N(C)C(=O)Cc1c[nH]c2ncccc12 96462010 KQXCNVRMTANXBZ-QGZVFWFLSA-N 321.424 3.585 0 40 DHAB CCOc1cccc([C@@H](C)NC(=O)Nc2ccncc2F)c1 97135529 RLDPPEATEXXGFE-LLVKDONJSA-N 303.337 3.502 0 40 DHAB Cc1ncccc1CNc1ccc(Cl)c(C[S@@](C)=O)c1 97371102 KVHNGPVIMOQMBZ-FQEVSTJZSA-N 308.834 3.534 0 40 DHAB CC(C)(C)OC(=O)Nc1nc(Cl)ccc1Br 98179377 BZKGLZMHGFOFSU-UHFFFAOYSA-N 307.575 3.845 0 40 DHAB C[C@]12CC3CC(NS(=O)(=O)c4ccccc4)(C1)C[C@](C)(C3)C2 100980801 CORZIRFJVYXBON-FZBQFSLMSA-N 319.470 3.714 0 40 DHAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCNCC3)cc21 107489365 IEXINQAIZGTHER-UHFFFAOYSA-N 321.428 3.541 0 40 DHAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(C(F)(F)F)cc1 222564646 OKOGNXBAJQZTHQ-UHFFFAOYSA-N 321.302 3.934 0 40 DHAB CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224631319 FHEVZZDQJLITCG-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB CCn1c(=O)sc2cc(NC(=O)/C=C/c3ccccc3)ccc21 225074507 NJIGYEXWMXFZIO-DHZHZOJOSA-N 324.405 3.735 0 40 DHAB COc1ccccc1C(=O)NCc1cccnc1-c1ccsc1 225644405 DBTRYQIUTKHQFF-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB COc1ccc(CC(=O)Sc2nc3ccc(C)cc3[nH]2)cc1 408624684 VQBIMILMIDEFPN-UHFFFAOYSA-N 312.394 3.741 0 40 DHAB O=C(CSc1ccccc1)NCCSCc1cccs1 408906895 KBCLVQBHIMOLQM-UHFFFAOYSA-N 323.508 3.890 0 40 DHAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1c1ccccc1Cl 409130986 JAWBJMPXXADDDY-WQLSENKSSA-N 304.758 3.909 0 40 DHAB C[C@H](CN(C)Cc1ccc(C(=O)O)c(Cl)c1)c1nccs1 577381196 RTVJFVMJPVPRMQ-SNVBAGLBSA-N 324.833 3.730 0 40 DHAB Cc1c[nH]c2ccc(NC(=O)N3CC[C@@]4(CCCOC4)C3)cc12 952994883 XUXFXFUKNLOQPH-SFHVURJKSA-N 313.401 3.511 0 40 DHAB COc1ccc([C@H]2Cn3ccnc3CN2C2CCCCC2)cc1 2037846596 SRTLMVGPCBEMGG-GOSISDBHSA-N 311.429 3.781 0 40 DHAB CN(C)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 177316 CXVVRJBKUNZVFX-UHFFFAOYSA-N 316.360 3.706 0 40 DHAB CC1CCN(c2nc(Cl)nc(NC3CCCCC3)n2)CC1 290800 KWRIGQZCGAHFHT-UHFFFAOYSA-N 309.845 3.506 0 40 DHAB O=C(Cc1c(F)cccc1Cl)NCCc1ccc(F)cc1 367271 MKBCWKKITVDHOA-UHFFFAOYSA-N 309.743 3.520 0 40 DHAB O=C(c1ccc(CN2CCC2)cc1)c1ccc(Cl)cc1F 2514637 KOJFDFXLDDLYPB-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB COc1cccc(CC(=O)NCc2ccc(Cl)cc2Cl)c1 3603179 YKVNZHFPHXTWFE-UHFFFAOYSA-N 324.207 3.861 0 40 DHAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1 3620194 LKNDWPPIOKWTFS-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB COc1ccc2c(c1)CN1[C@H](CC[C@H]3c4ccccc4N[C@@H]31)C2 5487727 ZCMHYIDKKDQGBL-MOXGXCLJSA-N 306.409 3.751 0 40 DHAB Cn1cc(SCC(=O)NC2CCCCC2)c2ccccc21 6422635 YRMWUSCNCYXWNE-UHFFFAOYSA-N 302.443 3.719 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)cc1C 6785249 XSYLNAGDLQIYLG-UHFFFAOYSA-N 322.364 3.580 0 40 DHAB CC(=O)Nc1ccc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 7028470 LCXNGBIYIWJTPI-BETUJISGSA-N 320.458 3.527 0 40 DHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nccs1 7401178 RQDVNAXWXXWFRL-UHFFFAOYSA-N 319.386 3.587 0 40 DHAB COc1cc(CCC(=O)Nc2ccccc2Cl)cc(OC)c1 7750014 MIJCCXFJACGAKT-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB O=C(O)c1ccc(CNc2ccc(Oc3ccccc3)nc2)o1 8702267 YWPFEXMACDABCW-UHFFFAOYSA-N 310.309 3.777 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 8705910 IULCFIYEUULYKI-KRWDZBQOSA-N 322.452 3.968 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1cc(C)ccc1C 9071051 KXBLZEUXUJVNMX-UHFFFAOYSA-N 315.417 3.951 0 40 DHAB Cc1cc([C@H]2CCCCCN2C(=O)c2ccc(F)cc2)on1 12133848 KKEGEDIWPMWMDB-OAHLLOKOSA-N 302.349 3.880 0 40 DHAB COc1cccc(C(=O)N2CCC[C@H]2c2cc3cccnc3[nH]2)c1 12236410 LPSKFBJKQFNIDP-KRWDZBQOSA-N 321.380 3.549 0 40 DHAB Cc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F 12389499 XQVVARXHVUTWAF-UHFFFAOYSA-N 301.346 3.634 0 40 DHAB O=C(Nc1ccccc1C(=O)Nc1cccc(F)c1)c1ccco1 12739537 CYFBOOCJWSSLGZ-UHFFFAOYSA-N 324.311 3.923 0 40 DHAB Cc1ccc(Sc2ncccc2C(=O)NC(C)C)cc1C 12752587 QESJCWKBJRJKPL-UHFFFAOYSA-N 300.427 3.988 0 40 DHAB CC[C@@H](C)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 12975635 CHJAFUZNJJHIMP-NEPJUHHUSA-N 303.381 3.543 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1cc(C)ccc1C 14255544 PVNYNEKLDMWMPY-UHFFFAOYSA-N 303.427 3.975 0 40 DHAB Cc1cccc2cc3c(nc12)N(C(=O)c1cccc(F)c1)CC3 15842004 IPYPMGLILDUWTO-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB CC(C)CNc1ncnc2c1cnn2-c1cccc(Cl)c1 17113274 WREVSWJXYZIUJZ-UHFFFAOYSA-N 301.781 3.537 0 40 DHAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccccc1 17167202 DEXMGNSJJLUAAL-XNTDXEJSSA-N 311.362 3.629 0 40 DHAB O=C(Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 19426543 XYGMFOPICFZDCC-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB Clc1cccc(N2CCN(c3nc4ccccc4o3)CC2)c1 22530521 PXZQVSDVGGLSBC-UHFFFAOYSA-N 313.788 3.808 0 40 DHAB Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1[C@@H](C)c1ccccc1 24768515 VOZOUBMNPJAFAP-AWEZNQCLSA-N 322.412 3.700 0 40 DHAB Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1cccc2ccccc12 31662152 AEECVZPZNCVVNC-KRWDZBQOSA-N 320.396 3.772 0 40 DHAB O=C(O)c1cccc(NCc2ccc(Br)cc2)c1 32204514 MIQRFQQEMVTPMB-UHFFFAOYSA-N 306.159 3.759 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)c1cc2c(s1)CCCCCC2 35134536 QXXUAAWBZBJLFJ-UHFFFAOYSA-N 303.431 3.999 0 40 DHAB CCCCNC(=O)N1CCCC[C@H]1c1nc([C@@H](C)CC)no1 41122864 HHFMHNLSBBFEFO-STQMWFEESA-N 308.426 3.620 0 40 DHAB CCOc1ccc(CCNC(=O)C2CCCCC2)cc1OCC 42669906 XANOCOHCWKOETR-UHFFFAOYSA-N 319.445 3.723 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)N(Cc1ccccn1)C1CC1 43390451 TUJNKGQVZWSETF-UHFFFAOYSA-N 307.397 3.767 0 40 DHAB Cc1cc(CN(C)C(=O)N[C@H](C)c2ccc(Cl)s2)no1 46597932 ZWTSULKAXHPTDY-SECBINFHSA-N 313.810 3.601 0 40 DHAB CN(CC1CC1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 47904136 SKZZKZXGSZYDEJ-UHFFFAOYSA-N 317.392 3.779 0 40 DHAB Cc1ccc(C(=O)[C@H]2CN(C)C[C@@H]2C(=O)c2ccc(C)cc2)cc1 52525323 DHOWIUDKAWCXFP-OALUTQOASA-N 321.420 3.547 0 40 DHAB CCOC(=O)c1cc2cc(NC(=O)NCC3CC3)ccc2s1 58171520 FLVYBQBQQRCWFJ-UHFFFAOYSA-N 318.398 3.610 0 40 DHAB Cc1sc2ncnc(NCc3ccc(CO)c(F)c3)c2c1C 58407551 IIASJEYGFQMYMV-UHFFFAOYSA-N 317.389 3.552 0 40 DHAB CC(C)(C)[C@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 59578275 GSOXCCXZVROLMH-HXUWFJFHSA-N 322.452 3.953 0 40 DHAB Brc1ccc2c(I)c[nH]c2c1 71186788 OJAYNNMMSFTUOG-UHFFFAOYSA-N 321.943 3.535 0 40 DHAB O=C(Nc1nncs1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 78610981 XAJAVVYDZFGWAS-JGVFFNPUSA-N 314.197 3.587 0 40 DHAB Cc1nc(CC(=O)Nc2sccc2C(=O)C(C)(C)C)cs1 78815376 YWKCLHWECOSUSI-UHFFFAOYSA-N 322.455 3.923 0 40 DHAB C[C@@H](NC(=O)NCc1nccs1)c1ccc2c(c1)CCCC2 79891171 PXCJQFJUJDDDAO-GFCCVEGCSA-N 315.442 3.582 0 40 DHAB Cc1ccc(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)cc1 84148626 DJZNTDJMWHNIFK-UHFFFAOYSA-N 306.402 3.577 0 40 DHAB Cc1ccc2c(c1)[C@H](N[C@@H](C)c1nnc3ccccn13)CCCO2 89511342 XCECHDUKHFCYOY-GOEBONIOSA-N 322.412 3.602 0 40 DHAB Cc1cc(Oc2ccc(NC(=O)c3scnc3C)cc2)n[nH]1 89599221 CRONXBVGEFSMGW-UHFFFAOYSA-N 314.370 3.528 0 40 DHAB CSC(=S)N(C)c1cc(C(F)(F)F)cc(Cl)n1 91695024 XQGYYUPCEGBDAN-UHFFFAOYSA-N 300.758 3.838 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 95377407 OCCJWPXQRZAEBU-NWDGAFQWSA-N 323.318 3.788 0 40 DHAB Oc1cccc2c1CC[C@@H]2NCc1ccc(OC(F)F)c(F)c1 95437368 FDEOKWSOTFRMSB-AWEZNQCLSA-N 323.314 3.910 0 40 DHAB CC(C)CN1CCC(N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 95967254 JXCCFADSSRXDFJ-GOSISDBHSA-N 316.489 3.999 0 40 DHAB O=C(Nc1cccc(N[C@@H]2CCCOC2)c1)c1cccs1 95983176 CHFVRJPMKONKSE-CQSZACIVSA-N 302.399 3.591 0 40 DHAB C[C@@H](Cc1ccsc1)Nc1ccc2c(c1)NC(=O)CS2 95990539 WPCNWKOCUGQEKG-JTQLQIEISA-N 304.440 3.835 0 40 DHAB Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(C)n2)cc1 95998851 JQPFTRXKSIQJJC-OAHLLOKOSA-N 314.389 3.836 0 40 DHAB c1csc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 96056998 JHDIDDVJHZMBTB-ZWKOTPCHSA-N 321.486 3.546 0 40 DHAB COc1c(Cl)cccc1NC(=O)N1CC[C@@H](CSC)C1 96418010 JDDLYAPVTXNVES-SNVBAGLBSA-N 314.838 3.565 0 40 DHAB Cc1ccnn1-c1cccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 107344153 MCSCIHZCTCNZHL-HRCADAONSA-N 309.413 3.946 0 40 DHAB CC(C)(C)OC(=O)NCCC1CCN(Cc2ccccc2)CC1 107956590 OYPYUURVQSHFKL-UHFFFAOYSA-N 318.461 3.813 0 40 DHAB C[S@](=O)C[C@@H](NCc1coc2ccccc12)c1ccccc1 154696943 LNNMUBGYCFMQJT-VGOFRKELSA-N 313.422 3.642 0 40 DHAB CCOc1ccc(C(C)=O)cc1CO[C@H]1CCCc2c[nH]nc21 190166766 LPHPKHTVMVSZMZ-KRWDZBQOSA-N 314.385 3.605 0 40 DHAB CC(C)CSc1nnc(NC(=O)c2ccc(F)cc2)s1 224251229 XFLJUAOGAZUVNP-UHFFFAOYSA-N 311.407 3.678 0 40 DHAB CCC(C)(C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225645423 ARQGPJNGASQCSS-UHFFFAOYSA-N 319.474 3.597 0 40 DHAB CCOC(=O)c1cc(NC(=O)C(C)(C)C)ccc1OC(C)C 225785061 VCZNUMYQZDPQNY-UHFFFAOYSA-N 307.390 3.635 0 40 DHAB CC[C@@H](C)NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225826969 AVKHLZLGWHMPDO-CYBMUJFWSA-N 323.396 3.737 0 40 DHAB Cc1cc2cncn2c([C@@H]2CCCCN2C(=O)CC(C)(C)C)n1 257336234 YNPWXWVICMZIBR-HNNXBMFYSA-N 314.433 3.528 0 40 DHAB O=C(COCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 382708535 VWQFYAMYQBBEJJ-UHFFFAOYSA-N 316.225 3.782 0 40 DHAB Cc1n[nH]cc1C1CCN(c2nc(C3CCCC3)ns2)CC1 563838887 HSAFNDPLBGORBU-UHFFFAOYSA-N 317.462 3.611 0 40 DHAB O=c1oc2cc(O)ccc2cc1-c1cccc(Br)c1 57817 XQBJCRXLZYNHQP-UHFFFAOYSA-N 317.138 3.928 0 40 DHAB biogenic,in-vitro COc1ccc(NC(=O)c2cccc(Br)c2)cc1 347086 HLHZEIYXWXHGCC-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB Cc1cc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c(C)o1 3332389 WXRUQRNPSVPZAS-UHFFFAOYSA-N 322.744 3.773 0 40 DHAB CC(=O)N1[C@@H](Nc2ccc(C)cc2)C[C@H](C)N1c1ccccc1 4711192 LHCPUKJQHJDUFQ-HNAYVOBHSA-N 309.413 3.795 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1ccc(Cl)c(Cl)c1 5190782 UDROKLWEAWVYCX-UHFFFAOYSA-N 320.179 3.982 0 40 DHAB COc1ccc(CC(=O)N[C@@H]2CCSc3ccccc32)cc1 5425627 NJAMLUOURIZNLL-MRXNPFEDSA-N 313.422 3.591 0 40 DHAB Cn1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)n1 7067805 UUBRMWQJQGHNIZ-UHFFFAOYSA-N 305.337 3.501 0 40 DHAB CCCSc1nnc(NC(=O)CCc2ccccc2)s1 7345360 AQTLNCNCKFUZIL-UHFFFAOYSA-N 307.444 3.612 0 40 DHAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)CCC2 7887781 LBRCZVUWDYYPCN-UHFFFAOYSA-N 320.348 3.582 0 40 DHAB O=C1O[C@](c2ccccc2)(c2ccc(O)cc2)c2ccccc21 8613263 NHXWHNLPLPWQIG-HXUWFJFHSA-N 302.329 3.855 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc2ncccc12 8746822 KSABZTNDFQTECJ-UHFFFAOYSA-N 306.409 3.933 0 40 DHAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)C3CC3)ccc1O2 9135360 QICYTNPCZQYPJS-UHFFFAOYSA-N 322.364 3.726 0 40 DHAB CSc1cccc(NC(=O)c2cccc(NC(C)=O)c2)c1 9314584 XZNXNHOOZHMGIM-UHFFFAOYSA-N 300.383 3.619 0 40 DHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C)c1 9356009 QXQRGLOVYZLBQJ-AWEZNQCLSA-N 310.397 3.776 0 40 DHAB CNc1nn(-c2cccc(C)c2)c2c1C(=O)C[C@H](c1ccco1)C2 9936346 PGNAIVIAHLSKGC-CYBMUJFWSA-N 321.380 3.728 0 40 DHAB CCc1ccc(CCC(=O)NCCSCc2ccco2)cc1 10336253 GRZIOTOASKQZLS-UHFFFAOYSA-N 317.454 3.824 0 40 DHAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 12674136 SUJAQCINCVJIIU-SCLBCKFNSA-N 312.388 3.894 0 40 DHAB CCc1cccc(C)c1NC(=O)NC[C@@H](C)N1CCC(C)CC1 13964684 FLMSTFNYUCBBIX-MRXNPFEDSA-N 317.477 3.799 0 40 DHAB CN(CCOc1ccc(Cl)cc1)c1ncnc2ccsc12 14084782 QHICHQHERINMJJ-UHFFFAOYSA-N 319.817 3.860 0 40 DHAB Cc1ccc(CSCCNC(=O)c2cc(C)oc2C)cc1 15536990 SPRHSKPOBROCKL-UHFFFAOYSA-N 303.427 3.868 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2nsnc2c1 15841320 ARMXQQQDDQCWPF-UHFFFAOYSA-N 303.774 3.526 0 40 DHAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]12C 15958412 CMRJPMODSSEAPL-UAFMIMERSA-N 312.409 3.900 0 40 DHAB biogenic CC1CCN(Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1 20458328 CRQLOPTZWLAULS-UHFFFAOYSA-N 314.473 3.981 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cccs1 25057532 ZQJWQOIIYXOQFF-SNVBAGLBSA-N 315.373 3.768 0 40 DHAB CC(C)c1cccc(NC(=O)COC(=O)Cc2ccsc2)c1 29276006 IHXVXENQVYDJAZ-UHFFFAOYSA-N 317.410 3.596 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)[C@H](C)n1cnc2ccccc21 32815146 ISELFBSRQJYEDN-HNNXBMFYSA-N 319.408 3.885 0 40 DHAB Cc1nc(Cc2nc(-c3ccc4c(c3)OCO4)cs2)cs1 32825904 FXDZKUWPEUWFCM-UHFFFAOYSA-N 316.407 3.895 0 40 DHAB C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(Cl)s1 33192571 SJYAQRYYDSHCKJ-SECBINFHSA-N 320.801 3.963 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)NCCc1cccc(Cl)c1 40088811 NJZARYXKYHNQCL-AWEZNQCLSA-N 317.816 3.604 0 40 DHAB O=C(Nc1ccccc1-n1ccnc1)c1cc2c(s1)CCC2 65520987 INTDHNJHDVJYRN-UHFFFAOYSA-N 309.394 3.675 0 40 DHAB O=C(c1ccc(-c2cnco2)cc1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65815202 IXMDWMIKHLDAHW-FLOBVVSRSA-N 322.408 3.992 0 40 DHAB O=C(Nc1cccc(C(F)F)c1)N(CCO)Cc1ccccc1 71854032 JXCBFMQXKNIAOM-UHFFFAOYSA-N 320.339 3.651 0 40 DHAB N=C(N)SCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 71980734 OOXFCPOZEGPZRJ-UHFFFAOYSA-N 302.243 3.851 0 40 DHAB Cc1cc(C(=O)CN2CCCC2)c(C)n1CCc1cccs1 72290994 FZVVVRATEOAIMW-UHFFFAOYSA-N 316.470 3.688 0 40 DHAB c1ccc(CN2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 72378657 ARYAAYBLDYTALS-SFHVURJKSA-N 318.424 3.647 0 40 DHAB COc1cc(OC)c2nccc(Nc3ccccc3C(=O)O)c2c1 78401527 SPGATISAPIDXOQ-UHFFFAOYSA-N 324.336 3.694 0 40 DHAB CC(C)n1cc(CCC(=O)NCc2cccn2C)c2ccccc21 79493164 JQXDVQSPNCPNBF-UHFFFAOYSA-N 323.440 3.810 0 40 DHAB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)O 84199219 LAXIZJYUJKOGPP-UHFFFAOYSA-N 305.252 3.751 0 40 DHAB COc1ccc(-c2ccc(CNC(=O)N(C)C(C)C)cc2)cc1 86424950 CZUZKOCYQKDQPB-UHFFFAOYSA-N 312.413 3.912 0 40 DHAB Cc1c([C@@H](C)NCc2ccco2)nnn1-c1ccc(Cl)cc1 89556318 SEMHSZZCBCWOQF-LLVKDONJSA-N 316.792 3.673 0 40 DHAB C[S@](=O)c1ccc(CN[C@@H]2CCCc3sccc32)cc1 90220867 PUGUABGYFUOGDQ-FOIQADDNSA-N 305.468 3.653 0 40 DHAB CS[C@H](C)CN[C@H](C)c1ccc(F)c(Br)c1 90726019 OEXZSQPHTPQBBX-RKDXNWHRSA-N 306.244 3.990 0 40 DHAB c1ccc2c(c1)[C@H](c1cncnc1)CC21CCN(CC2CC2)CC1 96079261 QRCBRHDAQQSDGK-IBGZPJMESA-N 319.452 3.756 0 40 DHAB CO[C@@H](CNC(=O)Nc1ccccc1C)c1ccc(C)s1 96104872 ZZODCRUGORAQEQ-AWEZNQCLSA-N 304.415 3.874 0 40 DHAB C[C@H](NC(=O)c1cccc2c1ccn2C)c1nc2ccccc2[nH]1 96118550 GFTJKTCNIBWSTO-LBPRGKRZSA-N 318.380 3.546 0 40 DHAB O=C(O)c1ccc(Nc2ccnc(Nc3cccc(F)c3)n2)cc1 96693817 KKWNSHKMQKVFLR-UHFFFAOYSA-N 324.315 3.801 0 40 DHAB O=C(O)c1ccccc1C(=O)O[C@@H]1C[C@@H]2CC3(CC3)[C@@H]1C21CC1 104429750 SPLOOJZSTBSGKD-KCPJHIHWSA-N 312.365 3.510 0 40 DHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2CCc1ccc(C)nc1 169407222 GOCKVWBQSRYQFB-CTNGQTDRSA-N 321.468 3.549 0 40 DHAB CC(=O)NC1CCC(N[C@H]2C[C@H]3CCCc4cccc2c43)CC1 195565180 QCSOGBZFFMJRGN-JIZBTBOESA-N 312.457 3.588 0 40 DHAB FC(F)c1nnc(SCc2cccc(Br)c2)[nH]1 216902785 PDHOBJWEEMBBLU-UHFFFAOYSA-N 320.162 3.797 0 40 DHAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccccc2)c2ccccc12 222626107 HBCYEIJUYIZTEA-ZDUSSCGKSA-N 323.348 3.536 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 223372070 QDGHNKMRLFRVHL-SZXPJGKVSA-N 313.441 3.638 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 224207183 ZPPLFXSFRMOTFZ-FCZZECIWSA-N 313.441 3.638 0 40 DHAB COc1cccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)c1 225100317 CTMXNXWEMPWSFT-LJQANCHMSA-N 322.360 3.923 0 40 DHAB Clc1ncnc2nc(-c3ccc(Br)cc3)cnc12 225740895 KVQBKOUQRBBSMB-UHFFFAOYSA-N 321.565 3.503 0 40 DHAB S=C(Nc1ccncc1)NC1(c2cccs2)CCCC1 225874569 TZDWXIJBOYYBIA-UHFFFAOYSA-N 303.456 3.899 0 40 DHAB CO[C@H](CNC(=O)c1ccsc1)c1cc2ccccc2o1 244983815 ISHXDQFGYPGXPS-OAHLLOKOSA-N 301.367 3.612 0 40 DHAB CC[C@@H]1C[C@@H](Cc2nc(COc3ccccc3F)no2)CCO1 252507468 WMNIBLFOTYPBFB-QWHCGFSZSA-N 320.364 3.535 0 40 DHAB CCC[C@H](CCC[C@H](C)O)COC(=O)c1ccccc1C(=O)O 504052202 KNDRVUYMYPIFIU-UONOGXRCSA-N 322.401 3.509 0 40 DHAB biogenic Cc1cc(O)c(/C=N/c2ccc(O)c(C(=O)O)c2)c(C)c1Cl 224097 CGZMQFSITOPGSI-CNHKJKLMSA-N 319.744 3.817 0 40 DHAB CC[C@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCCC3 535804 SSFGXJUQSGGKBG-HXUWFJFHSA-N 308.425 3.861 0 40 DHAB COc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1OC 1790907 YFROZXVWSJANFH-UHFFFAOYSA-N 306.745 3.714 0 40 DHAB O=C(Cc1cccc2ccccc12)NCCOc1ccccc1F 3127118 KSGXHNOIBIMFGO-UHFFFAOYSA-N 323.367 3.717 0 40 DHAB C[C@@H]1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1 3564626 FXLKDKLLSAGXGV-QGZVFWFLSA-N 322.452 3.624 0 40 DHAB CC[C@@H](Sc1ccc(C)cc1)C(=O)Nc1nnc(C)s1 4174597 MRHKOSQUHXQSJO-GFCCVEGCSA-N 307.444 3.664 0 40 DHAB O=C1CCC2=C3[C@H]4CCCC[C@H]4C(=O)[C@@H]4CCC[C@@H](O[C@H]2C1)[C@H]34 5049449 VETBAJOOAOCRGE-SPTQXUEESA-N 314.425 3.609 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1C 5401480 DXMSDGOLUJEJRI-UHFFFAOYSA-N 308.356 3.715 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc2ccccc2c1 5528084 NXCMPCZBKQUWRK-MDZRGWNJSA-N 313.441 3.842 0 40 DHAB Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 5558579 MCZRJCURENECJU-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB Cc1ccnc(NC(=S)Nc2ccc(OC(F)F)cc2)c1 5637428 XBIZLCJBYRRQJL-UHFFFAOYSA-N 309.341 3.800 0 40 DHAB Cc1cccc2sc(NC(=O)c3ccc(N(C)C)cc3)nc12 6334534 BDRWONDBRXKKHB-UHFFFAOYSA-N 311.410 3.923 0 40 DHAB COc1ccccc1CC(=O)N[C@@H](C)c1ccccc1Cl 7814278 HHDMOKBTRWZTAT-LBPRGKRZSA-N 303.789 3.769 0 40 DHAB CC(=O)Nc1ccc(CN2c3ccccc3N3CCC[C@@H]32)cc1 8185416 FVJOEHDQZKIHQS-IBGZPJMESA-N 307.397 3.592 0 40 DHAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 8304373 RRBCMSNTCKURHS-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cccs1 9051373 ICRJUPQEANNTQO-UHFFFAOYSA-N 314.410 3.673 0 40 DHAB CC(=O)Nc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 9114804 AGDSJGLYQPRBQV-LBPRGKRZSA-N 322.368 3.868 0 40 DHAB O=C(c1cc2c(s1)CCC2)N1CCC(c2ccncc2)CC1 12117372 NPHZBOVRBVRYSY-UHFFFAOYSA-N 312.438 3.652 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1F 14023185 SDGZZYQWLXNKMG-UHFFFAOYSA-N 311.259 3.688 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)CCC(=O)c1cccs1 14118839 UYUGFTSRZUXTIW-GFCCVEGCSA-N 317.410 3.597 0 40 DHAB Cn1c(SCC(=O)c2cccc3ccccc23)nnc1C1CC1 14169121 FVPIHPCWAOWOFP-UHFFFAOYSA-N 323.421 3.821 0 40 DHAB CCCCC[C@H](C)NC(=O)CCC(=O)N[C@H](C)CCCCC 17032562 WWWLIBSYIKCXEK-IYBDPMFKSA-N 312.498 3.937 0 40 DHAB O=C(CCc1ccncc1)Nc1nc2c(s1)CCCCCC2 19405092 ZUINZYUKQMNMTM-UHFFFAOYSA-N 315.442 3.768 0 40 DHAB O=C(Cc1cccs1)Nc1nnc(-c2ccccc2Cl)o1 22673176 KSXWNHRHGPZAMN-UHFFFAOYSA-N 319.773 3.633 0 40 DHAB CC(C)CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 28576716 XYZZUTHBAMLBMC-UHFFFAOYSA-N 307.777 3.898 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 30863527 PWBUVHJXVPPRCJ-MRXNPFEDSA-N 323.845 3.911 0 40 DHAB O=C(CCc1ccccc1F)Nc1ccc(N2CCCC2)cc1 31301205 IFSFBVDBNVSCRQ-UHFFFAOYSA-N 312.388 3.997 0 40 DHAB CCOc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1OC 32678685 FGEYTVHTXWQLKX-CYBMUJFWSA-N 318.200 3.616 0 40 DHAB COc1ccccc1-c1cc(CN2CCc3ccccc3C2)on1 32868750 SGHAXEYREKOGPM-UHFFFAOYSA-N 320.392 3.909 0 40 DHAB Cc1ccc2[nH]c(CCN(C)Cc3ccccc3)c(CCN)c2c1 32919468 PQHYZGPCXNVQOB-UHFFFAOYSA-N 321.468 3.652 0 40 DHAB CC(C)(C)c1noc(CCCC(=O)Nc2cccc(Cl)c2)n1 33145536 YASRWWJQVYLFQQ-UHFFFAOYSA-N 321.808 3.982 0 40 DHAB COC(=O)c1c(CCc2ccc(Cl)s2)cccc1OC 35973558 FQUHRVWIXXWKLL-UHFFFAOYSA-N 310.802 3.982 0 40 DHAB CCCCNc1nc(-c2cnn(CC)c2C)cc(C(F)F)n1 36614060 ALXOGCYDHOHVEE-UHFFFAOYSA-N 309.364 3.818 0 40 DHAB O=C(NCCc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 36620369 UTBKXPXMZFTWOX-SFHVURJKSA-N 312.388 3.915 0 40 DHAB Brc1ccc(O[C@H]2CCNC2)c(-c2ccccc2)c1 42774916 FZADDFYCHGUDIM-AWEZNQCLSA-N 318.214 3.857 0 40 DHAB Cc1noc(C)c1CCC(=O)N(C)Cc1ccc(Cl)cc1 44513667 FFEHGRNQONEBAX-UHFFFAOYSA-N 306.793 3.536 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)n[nH]2)cc1 51315543 BVVPCYPOWFONKS-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB O=C(C=C(C1CC1)C1CC1)NCc1coc(-c2cccs2)n1 55099318 WKFLUELJVRKQDJ-UHFFFAOYSA-N 314.410 3.766 0 40 DHAB Cc1cccc(NC(=O)CNCc2ccc(Cl)cc2)c1C 58160393 LIFFNGYTHDOKIR-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(Cl)o1 58433676 VHVGVNPDCJZOSS-UHFFFAOYSA-N 311.775 3.765 0 40 DHAB CCc1cc2c(NC[C@@H](C)CN3CCCCC3)ncnc2s1 59402384 MXSTUFWSEFQBFE-CYBMUJFWSA-N 318.490 3.788 0 40 DHAB Cc1cc(C(=O)OCCCOc2cccc3ccccc23)n(C)n1 62505521 QMBCHADNIBAXDL-UHFFFAOYSA-N 324.380 3.508 0 40 DHAB Cc1cccnc1NC(=O)c1ccnc(Oc2ccccc2)c1 65622984 FDWQKDXWULSTEA-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB O[C@H]1Cc2ccccc2[C@H]1NCc1cnc(-c2ccccc2)s1 66989131 YJZANFVQRQNTCI-ZWKOTPCHSA-N 322.433 3.558 0 40 DHAB CSc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 71279464 ILEJNEAERJEWAL-GFCCVEGCSA-N 317.414 3.603 0 40 DHAB C[C@H]1C[C@@H]1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889982 ZCJIXCQYTIIGJN-FZMZJTMJSA-N 318.804 3.943 0 40 DHAB Cc1csc([C@@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)n1 72298755 IPXAQKWQTFAIEB-LSDHHAIUSA-N 317.458 3.610 0 40 DHAB O=C(c1cccc(-n2cccn2)n1)N(C1CCCC1)C1CCCC1 95399019 PDFCIRCFCPZEOP-UHFFFAOYSA-N 324.428 3.595 0 40 DHAB Cc1nc(Nc2ccc(OC(F)(F)F)cc2)sc1C(=O)O 95929476 KGCVTHPGEQDPJJ-UHFFFAOYSA-N 318.276 3.792 0 40 DHAB CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc(C(C)C)no2)CCO1 95994008 BREFPWNBMFRLEH-DZGCQCFKSA-N 308.422 3.512 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccnc2-n2ccnc2C)C1(C)C 96999287 DRZKEVXJKOKCBQ-ZBFHGGJFSA-N 324.428 3.753 0 40 DHAB O=c1nc2n(c3ccccc13)CC/C2=C/c1cccc(Cl)c1 101192807 MXNOVWKCUSVLAC-RAXLEYEMSA-N 308.768 3.994 0 40 DHAB Cc1nc2ccc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2nc1C 104819789 IUTJHJBPCCEXOB-JKQORVJESA-N 323.440 3.801 0 40 DHAB COc1cccc(CCC(=O)c2ccc(OC)c(OC)c2)c1 199728942 UEKXCKYKNDOPDH-UHFFFAOYSA-N 300.354 3.528 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccc(C)c(C)c2)cc1C 224240052 GEYXAEBVNUKFBY-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB Cc1noc(C)c1/C=C1/SCCN1C(=O)C1CCCCC1 225249156 OGOLGUCBRFOHAP-XNTDXEJSSA-N 306.431 3.746 0 40 DHAB Cc1cc(Oc2ccccc2)nc(NC(=S)NC(C)(C)C)n1 225896242 USYDVYRXWZFBMB-UHFFFAOYSA-N 316.430 3.662 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 225927428 GUBIZLLKVAECKY-UHFFFAOYSA-N 303.427 3.745 0 40 DHAB Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 226254413 SQOBLASFOYHQIF-UHFFFAOYSA-N 309.413 3.820 0 40 DHAB C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 245339244 RKJBWLJWYPZXLQ-XJFOESAGSA-N 323.383 3.532 0 40 DHAB Cc1c[nH]cc1C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 566093704 IEYZVACVDJEFEH-SNVBAGLBSA-N 316.792 3.686 0 40 DHAB CCc1ccc(NC(=O)[C@@H](N)c2c(F)cccc2F)cc1CC 582492855 TZCYNIQHECBSLD-KRWDZBQOSA-N 318.367 3.728 0 40 DHAB CC(C)c1nc(Oc2cc(F)cc(Cl)c2)nc(N(C)C)n1 1559246271 HXGPPCRHKPCJLY-UHFFFAOYSA-N 310.760 3.646 0 40 DHAB O=C(c1ccc(Cl)s1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888844187 VOCFOQCQJMBLHA-QWRGUYRKSA-N 321.833 3.606 0 40 DHAB Cc1ccc(N2CC(n3c(C4CC4)nc4ccccc43)C2)nc1 2298225830 VHZJLBOKBOEOPC-UHFFFAOYSA-N 304.397 3.678 0 40 DHAB CCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 533106 YECLRRWRYMCKQN-HNNXBMFYSA-N 319.408 3.885 0 40 DHAB CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 1078858 IPUFYRQQCGWBCQ-UHFFFAOYSA-N 313.831 3.863 0 40 DHAB CCCCCc1nc(NCCO)c2c3c(sc2n1)CCCC3 2288272 XMHFSRLLUJRZNZ-UHFFFAOYSA-N 319.474 3.707 0 40 DHAB CCCCc1nc2ccccc2c(=O)n1-c1ccccc1OC 2298702 XXHYTWXIZXOQKI-UHFFFAOYSA-N 308.381 3.737 0 40 DHAB CCOc1ccc(/C=C2/SC(=S)N=C2O)cc1OCC 2536794 ATVVOJDARQFAJF-XYOKQWHBSA-N 309.412 3.813 0 40 DHAB c1csc(-c2nnc(COc3cccc4cccnc34)o2)c1 3477164 YWJHSXRLTQRYAT-UHFFFAOYSA-N 309.350 3.925 0 40 DHAB CCCC[C@H](C(=O)Nc1ccc2c(c1)C[C@H](C)O2)N(CC)CC 4063961 VCXCSUROFHCUQZ-WMLDXEAASA-N 318.461 3.849 0 40 DHAB biogenic O=C(C1CCCC1)N1CCN=C1SCc1ccccc1Cl 4120248 CMBPLGSZVOSMJG-UHFFFAOYSA-N 322.861 3.962 0 40 DHAB Cn1cc(NC(=O)NCCCc2ccccc2)c2ccccc21 5265727 AKJYSXAWLBVLBA-UHFFFAOYSA-N 307.397 3.933 0 40 DHAB CCOC(=O)/C(=C/c1ccc(C)o1)P(=O)(OCC)OCC 5828070 AQISTQMXBBBROQ-RAXLEYEMSA-N 316.290 3.758 0 40 DHAB O=C(OCc1ccccc1F)c1cnc(Cl)c(Cl)c1 6078779 ROHGXZDBIQHFJA-UHFFFAOYSA-N 300.116 3.885 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1 6336460 LONXSBLQGFOKSJ-UHFFFAOYSA-N 302.399 3.668 0 40 DHAB COc1cccc(NC(=S)NCCCc2ccccc2)c1 6954399 BGXLJNBECFYFQM-UHFFFAOYSA-N 300.427 3.614 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2C[C@H]1C 7114876 AIBCUUJDBNJJKX-CVEARBPZSA-N 308.425 3.657 0 40 DHAB O=C(CCCc1cccs1)Nc1ccc2c(c1)OCCCO2 9446130 XFVWXHDJFYPUCI-UHFFFAOYSA-N 317.410 3.871 0 40 DHAB COc1cccc(NC(=O)Nc2ccc(N3CCCC3)cc2)c1 11555862 RGFLFFVYWASPRU-UHFFFAOYSA-N 311.385 3.939 0 40 DHAB CC(C)[C@@H](CC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 12296849 JBSNRAYWNCVKRH-DLBZAZTESA-N 303.446 3.890 0 40 DHAB biogenic CC1CCN([C@@H](C)CNC(=O)Nc2ccc(Cl)cc2)CC1 13964671 XFASMQNWFHYIPS-ZDUSSCGKSA-N 309.841 3.582 0 40 DHAB COc1ccc(CCNC(=O)c2oc3ccccc3c2C)cc1 14683735 ABMCVULXKDQEBA-UHFFFAOYSA-N 309.365 3.722 0 40 DHAB CCc1nc2ccccc2c(C(=O)OCc2ccccn2)c1C 16702640 IYVUHAKJBGEHOZ-UHFFFAOYSA-N 306.365 3.858 0 40 DHAB Fc1ccc([C@H]2CN[C@@H]3CCCN(Cc4ccccc4)[C@H]23)cc1 19372038 MWYFNVCKZXTFLU-VAMGGRTRSA-N 310.416 3.546 0 40 DHAB Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 19736394 YKTLUPLVNFVSGO-LLVKDONJSA-N 304.777 3.637 0 40 DHAB Cc1ccc(OCCn2c(=N)n(C(C)C)c3ccccc32)cc1 19900374 VPDFEVLOBDEZIX-UHFFFAOYSA-N 309.413 3.891 0 40 DHAB O=c1cnc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 20031634 GGISSVYUTVMLDZ-UHFFFAOYSA-N 305.164 3.752 0 40 DHAB Cc1ccc2nc(-c3ccccc3)c(CN3CCSCC3)n2c1 20366664 XOSJREHQEMLOML-UHFFFAOYSA-N 323.465 3.859 0 40 DHAB Cc1ccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 20899396 XUHSAKYSIOAHHW-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB C[C@@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H](C)O1 20938339 DODVCGJPKJZHMA-VXGBXAGGSA-N 306.793 3.604 0 40 DHAB COc1cccc(CC(=O)N(C)[C@@H]2CCCc3ccccc32)c1 23152200 IRUCQTRMFLGUFX-LJQANCHMSA-N 309.409 3.774 0 40 DHAB O=C(COc1ccc(F)cc1F)Nc1cccc2cccnc12 24665067 DBORLXRYVXTALR-UHFFFAOYSA-N 314.291 3.531 0 40 DHAB Cc1ccsc1C(=O)NCc1ccc(Br)s1 25472081 PLPSWPOORCXCQT-UHFFFAOYSA-N 316.245 3.811 0 40 DHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3cn[nH]c3c2)cc1C 25787342 DRWPOUSLHOYPCL-ZDUSSCGKSA-N 322.364 3.608 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 27794931 DXKCTJMPJHFWFV-LBPRGKRZSA-N 314.385 3.839 0 40 DHAB Cc1cc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1F 32865086 BNYBQIXHMIVWKB-UHFFFAOYSA-N 323.371 3.624 0 40 DHAB Cc1ccsc1C(=O)Nc1cccc(Oc2cnccn2)c1 33136217 YQZLDDOMCGANMB-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB Cc1cc(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)no1 40511810 IKBAYCNJGGSTDF-ZDUSSCGKSA-N 304.415 3.860 0 40 DHAB Cc1ccc(NC(=O)N(C)Cc2c(C)noc2C)c(Cl)c1 43187380 BBPMKTZAJSFXPU-UHFFFAOYSA-N 307.781 3.917 0 40 DHAB Cn1nc(C(F)(F)F)c(C(=O)O)c1Oc1ccc(Cl)cc1 44199395 HTJWLXOHCXEICH-UHFFFAOYSA-N 320.654 3.583 0 40 DHAB COC1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 44449879 UHSLBHFTQRHPKD-UHFFFAOYSA-N 309.409 3.534 0 40 DHAB CCOc1ccccc1CNC(=O)[C@@H](C)Sc1ccccc1 44900040 QLYWECXZKDFNCP-CQSZACIVSA-N 315.438 3.882 0 40 DHAB Cc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 46407727 GYTCIWMDOLEQOK-MRXNPFEDSA-N 309.413 3.643 0 40 DHAB O=C(NC1CCCCCC1)c1ccc(-n2cc[nH]c2=S)cc1 47535503 GZXXFCXYNUOGEX-UHFFFAOYSA-N 315.442 3.987 0 40 DHAB CCCCOc1ccc2cc(C(=O)NCc3ccco3)[nH]c2c1 47703661 JWSYXRUEWYJNLA-UHFFFAOYSA-N 312.369 3.870 0 40 DHAB O=C(NCc1ccc(F)cc1)Nc1cccc(OC(F)F)c1 47908987 XDPVWAKPFUJDEU-UHFFFAOYSA-N 310.275 3.749 0 40 DHAB Cc1ccc(C)c([C@H](C)NCC(=O)NC[C@H](C)c2ccccc2)c1 49597289 URDKRSKXTKIGJA-ROUUACIJSA-N 324.468 3.874 0 40 DHAB CC[C@@H](C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 56212002 ABFITJQGCPKSNL-CYBMUJFWSA-N 309.837 3.551 0 40 DHAB C[C@H](Sc1ccc(O)cc1)C(=O)N1CCc2sccc2C1 58264159 ILIQCXCECDPOOS-NSHDSACASA-N 319.451 3.519 0 40 DHAB Cc1cc(NCc2ccc(-n3ccnc3)nc2)nc2ccccc12 58316703 CQLZQANGUWACMJ-UHFFFAOYSA-N 315.380 3.736 0 40 DHAB CC[C@@H](C)[C@H](NC(=O)CC(F)(F)F)c1nc2ccccc2[nH]1 65590620 RUOLLNNGVRSGNN-RNCFNFMXSA-N 313.323 3.719 0 40 DHAB CCN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1 66921928 HZBSHUROFFAJKQ-GOSISDBHSA-N 309.413 3.515 0 40 DHAB CCSc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cn1 68724055 AKHKKFWPDOFCFI-UHFFFAOYSA-N 324.409 3.836 0 40 DHAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)c2ccon2)n1 76042883 NZQKAYRYYPUBJC-LBPRGKRZSA-N 319.430 3.796 0 40 DHAB CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(F)cc1 80344818 SKTQIUUYDKMAKM-MRXNPFEDSA-N 301.361 3.722 0 40 DHAB CSc1ccc(NC(=O)NCc2cc(C)on2)cc1Cl 84117126 OZPKAABSNBNZRR-UHFFFAOYSA-N 311.794 3.680 0 40 DHAB CC1(C)CC(NC(=O)C(C)(C)c2ccc(F)cc2)CC(C)(C)N1 95971218 QVPDCZOXGKVIAB-UHFFFAOYSA-N 320.452 3.529 0 40 DHAB Cc1ccc2c(c1)[C@H](N[C@H]1CCN3CCC[C@@H]3C1)CCS2 95974239 YNYXFUJWEBREGC-ZMSDIMECSA-N 302.487 3.748 0 40 DHAB Cc1nnc(CN[C@H](C)c2ccccc2C(F)(F)F)s1 95985435 PSUDKKLZPRQREF-MRVPVSSYSA-N 301.337 3.716 0 40 DHAB O=C(C[C@H]1CCOC1)N(CCc1ccccc1)Cc1ccccc1 96416386 NHSMZEXPXINSDT-HXUWFJFHSA-N 323.436 3.685 0 40 DHAB Cc1csc([C@H](NC(=O)NCc2sccc2C)C2CC2)n1 96439493 KNMHMDZPQPMWQO-CYBMUJFWSA-N 321.471 3.772 0 40 DHAB CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1 96586436 RJNZIZXXJSRDJM-UHFFFAOYSA-N 323.392 3.786 0 40 DHAB COc1ccc(Cl)cc1CN[C@H](C)c1cnc(C)nc1C 97016643 PHXCMVISUWXOMG-SNVBAGLBSA-N 305.809 3.606 0 40 DHAB CCc1cccc2c3c([nH]c12)[C@@](CC(=O)O)(C(C)C)OCC3 145466788 ZYYZBAXQYNUZCT-GOSISDBHSA-N 301.386 3.629 0 40 DHAB in-vitro CCOc1ccc(C2=N/C(=C/c3cccc(F)c3)C(=O)O2)cc1 216011088 QXGFOELMRRSRMG-LFIBNONCSA-N 311.312 3.569 0 40 DHAB O=C(CSc1ccc(Cl)cc1)n1nnc2ccccc21 226359702 FWLAEDHCCVRVFF-UHFFFAOYSA-N 303.774 3.517 0 40 DHAB CC(=O)O[C@@H]1[C@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@H]1O 253388400 RRGRXDIGPVAQIW-VNTMZGSJSA-N 310.393 3.640 0 40 DHAB biogenic,in-vitro Cc1cnc([C@H]2CN(Cc3cccc4ccccc34)CCO2)cn1 257206947 BFPQLUQAMVEVPU-HXUWFJFHSA-N 319.408 3.512 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)CCc1ccccc1 306145726 OOUSHVCDMBTSCX-ZDUSSCGKSA-N 322.288 3.839 0 40 DHAB CC[C@H](NCc1nc(C2CC2)nn1C)c1ccc(Cl)s1 569451848 FFURFIFOUQCKFV-JTQLQIEISA-N 310.854 3.648 0 40 DHAB O=C(c1ccccc1OC(F)(F)F)C(F)(F)Br 575358993 MANGJNLPBNMFPJ-UHFFFAOYSA-N 319.023 3.756 0 40 DHAB C[Si](C)(C)CCOCn1cc(Cl)nc1Br 1776010765 CZGQGSVEMSHMAX-UHFFFAOYSA-N 311.683 3.611 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C)ccc1C 50366 JWVSKPGPYOGHGP-KRWDZBQOSA-N 313.353 3.602 0 40 DHAB O=C1CSc2ccc(C(=O)NC3CCCCCCC3)cc2N1 217049 IQIGDWVINGKVER-UHFFFAOYSA-N 318.442 3.574 0 40 DHAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1C 252199 RIUFEHMLDYOBHB-OAHLLOKOSA-N 319.408 3.711 0 40 DHAB CC(C)[C@H](CC(=O)NCc1ccco1)[C@H]1CCOC(C)(C)C1 490651 QDRDTGUYNYCXRZ-HOCLYGCPSA-N 307.434 3.763 0 40 DHAB biogenic Cc1ccc(C(=O)Nc2ccc(Br)cn2)c(C)c1 557877 FPRNOWSGSYPIAG-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB Cc1cc(OS(=O)(=O)c2ccc(F)cc2)cc(C)c1Cl 2182628 VKWGEZOZIRZPLG-UHFFFAOYSA-N 314.765 3.864 0 40 DHAB CCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S 2792699 OCAZUUQMQZPLDP-UHFFFAOYSA-N 321.299 3.864 0 40 DHAB C[C@@H]1CCc2sc(C(=O)NCc3ccc(F)cc3)cc2C1 3429714 ICAJRBVZZPDEHB-LLVKDONJSA-N 303.402 3.942 0 40 DHAB C[C@@H]1C[C@@H](NC(=O)C(=O)c2c[nH]c3ccccc23)CC(C)(C)C1 4163121 WZWPIRFFPJNBMH-CHWSQXEVSA-N 312.413 3.682 0 40 DHAB Cc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)s1 5356722 XSULJVZNZPSLDX-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)OC 5423803 WOGRKUFKVJMJFX-SWLSCSKDSA-N 306.406 3.519 0 40 DHAB CC(C)[C@@H]1O[C@H]([C@@H]2OCC(C)(C)[C@H](C(C)C)O2)OCC1(C)C 5539280 UELHWAGUKCPMNW-CAOSSQGBSA-N 314.466 3.834 0 40 DHAB COc1ccc(Cl)cc1C(=O)c1c(OC)cccc1OC 6019107 GJNULGBZSRQDCS-UHFFFAOYSA-N 306.745 3.597 0 40 DHAB CCCCCNCc1cc(Br)c(OC)c(OC)c1 7261221 RUDPREFSKODJFE-UHFFFAOYSA-N 316.239 3.746 0 40 DHAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 7414753 WTKRXYMJKGMWQF-UHFFFAOYSA-N 320.757 3.809 0 40 DHAB O=C(Nc1cccc(Br)c1)c1c(F)cccc1F 7609624 QHJIYYYDNYAQKE-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB O=C(OCc1nc2ccccc2s1)C1=Cc2ccccc2OC1 7637161 HUDWQHSUWAQULI-UHFFFAOYSA-N 323.373 3.816 0 40 DHAB CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1ccsc1 7926905 HGJCLBGXROCSNB-UHFFFAOYSA-N 312.797 3.611 0 40 DHAB O=C(NCc1cccc(Cl)c1)c1ccc2ncsc2c1 8389354 NVEWUNOENYNXKT-UHFFFAOYSA-N 302.786 3.880 0 40 DHAB CC(C)=CC(=O)OCc1nc(-c2ccc(C(C)C)cc2)no1 8428481 XKQPXLFANYLLSC-UHFFFAOYSA-N 300.358 3.869 0 40 DHAB Cc1cc(O)nc(SCC(=O)c2ccc(C(C)(C)C)cc2)n1 9143521 QMAHTCRPGFEJOU-UHFFFAOYSA-N 316.426 3.763 0 40 DHAB Cn1cc(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc21 9378971 PKAHZTBDGXLQJM-LFIBNONCSA-N 302.333 3.523 0 40 DHAB COc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 9722021 GVKDPHFTZWYZGM-UHFFFAOYSA-N 309.287 3.895 0 40 DHAB CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)c(C)c1 10113679 BNOOGRSUHLZAOP-UHFFFAOYSA-N 314.410 3.981 0 40 DHAB COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1C 10430424 ANAAEPBEWJGPLX-UHFFFAOYSA-N 310.397 3.856 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2onc3c2CCCC3)cc1C 11915002 SVAUFSSUNKPUOZ-CYBMUJFWSA-N 314.385 3.576 0 40 DHAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 12816619 BHIPYPHPLKCOSO-UHFFFAOYSA-N 317.392 3.922 0 40 DHAB O=C(NCCc1ccc(Cl)cc1)c1cc2cc(F)ccc2[nH]1 13957075 RCDJJHGEOMYWPF-UHFFFAOYSA-N 316.763 3.933 0 40 DHAB Cc1cc(-c2cnc(NC3CCCC3)nc2[C@H]2CCCO2)on1 19122655 AEEUPYDBMWWBCE-CQSZACIVSA-N 314.389 3.646 0 40 DHAB COc1ccc2c(C)c(C(=O)N[C@H](C)Cc3ccccn3)oc2c1 19565758 BWFFIMOCEIRVHG-GFCCVEGCSA-N 324.380 3.506 0 40 DHAB CCc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 24690002 SXHHYYGSSOJFIY-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB O=C(NCc1ccccc1)c1cccc2c3c([nH]c12)CCCC3 27605563 BVEHFPJEKNHISG-UHFFFAOYSA-N 304.393 3.977 0 40 DHAB O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1C[C@@H]1c1ccccc1 28246286 HEZQQKALHWKOSW-QZTJIDSGSA-N 303.365 3.615 0 40 DHAB Cc1ccc(C)c(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1 29483007 YBWIDZRCOYRQLD-IBGZPJMESA-N 308.425 3.861 0 40 DHAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cccc(Br)c1 30466454 MOKIMKJGJUFKEU-NWDGAFQWSA-N 308.219 3.983 0 40 DHAB O=C(Nc1ccc(F)c(F)c1F)c1ccn(-c2ccccc2)n1 32922758 DVBSBCVODFPBRW-UHFFFAOYSA-N 317.270 3.542 0 40 DHAB COP(=O)(OC)[C@H](/C=C(/Cl)c1ccccc1)N(C)C 33376627 BYTZWWDLTWSOGT-RSKUSDAESA-N 303.726 3.640 0 40 DHAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1C 36635443 CURBTCZGGRXNBY-SFHVURJKSA-N 322.408 3.664 0 40 DHAB Cc1cccc(C)c1OCC(=O)N(C)[C@H]1CCc2ccccc21 37149128 BIXHFJIAZGGUMY-SFHVURJKSA-N 309.409 3.828 0 40 DHAB c1ccc(CN(Cc2ccco2)Cc2nc(C3CC3)no2)cc1 43999721 RJRWHFUQZUJYGV-UHFFFAOYSA-N 309.369 3.742 0 40 DHAB COc1ccc(NC(=O)c2sccc2C2CC2)cc1OC 46438447 CEISMPJEIOEYFN-UHFFFAOYSA-N 303.383 3.895 0 40 DHAB CC(C)c1nc(CNCc2cn3cc(Cl)ccc3n2)cs1 48375453 LYBVBNCKWXRRFH-UHFFFAOYSA-N 320.849 3.857 0 40 DHAB Cc1nc(CSc2nccn2-c2ccc(C(C)C)cc2)no1 53224589 KTECSQOMZWTIRF-UHFFFAOYSA-N 314.414 3.979 0 40 DHAB c1ccc(-c2nnc3ccc(N4CCCCCCC4)nn23)cc1 53548882 UGWDVWOPPIBUAA-UHFFFAOYSA-N 307.401 3.562 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)N[C@@H](c1cccs1)C(C)C 65457721 BUPMOYJHFMDNKG-OAHLLOKOSA-N 321.446 3.892 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)Cc1cccc(Cl)c1 67791864 JMJPIUHTOHUQGV-LBPRGKRZSA-N 303.789 3.769 0 40 DHAB C[C@H](CCNC(=O)Cc1noc2ccccc12)c1ccccc1 69562583 KNHGCYOHUUWUIX-CQSZACIVSA-N 308.381 3.680 0 40 DHAB CC(C)(C)Sc1ccc(NC(=O)N2CCC[C@H](O)C2)cc1 69841568 OFXLOEILRZZJAG-ZDUSSCGKSA-N 308.447 3.566 0 40 DHAB Cc1ccc(-c2nc(CN[C@@H](C)[C@@H](C)n3cccn3)cs2)o1 69921815 OGXNPVGQKCTXQJ-QWHCGFSZSA-N 316.430 3.647 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1cccnc1NC1CCCCC1 72214052 KWIXBKBTZIMZSD-QGZVFWFLSA-N 301.434 3.900 0 40 DHAB Cc1nc([C@@H]2CCCN(C(C)C)C2)sc1Br 72343526 LLFMEULNCOIKMY-SNVBAGLBSA-N 303.269 3.802 0 40 DHAB CC(C)(C)c1nc(CN(CCc2cccc(F)c2)C2CC2)no1 72977966 BTWFKYUKVMKKHP-UHFFFAOYSA-N 317.408 3.713 0 40 DHAB Cn1cnc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21 74705631 DOPATMCMMFXETG-UHFFFAOYSA-N 319.286 3.844 0 40 DHAB C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C1CCOCC1 75145159 OHAFCBQTFBTSRK-HNNXBMFYSA-N 301.430 3.803 0 40 DHAB Cc1nn(C)c(C)c1[C@@H](C)NCc1ccc(OC(C)C)cc1 78553177 ZFLLQRUSPLRTHV-CYBMUJFWSA-N 301.434 3.675 0 40 DHAB Clc1ccc(OCCC2OCCCO2)c(Br)c1 89064054 FBRRKWGBOYSJMU-UHFFFAOYSA-N 321.598 3.634 0 40 DHAB COc1cc(CN2CCC[C@H]2c2ccco2)cc(OC)c1OC 93335328 KIJDPMMGSSHLMK-AWEZNQCLSA-N 317.385 3.643 0 40 DHAB C[C@H](NC[C@@H](C)c1cccs1)c1ccc(S(C)(=O)=O)cc1 95422765 FKNJFNMAMVAERV-OLZOCXBDSA-N 323.483 3.606 0 40 DHAB COc1ccc(NC(=O)N2CC[C@@H](SC(C)(C)C)C2)cc1 96120051 ZRFGEIXNSSZVPU-CQSZACIVSA-N 308.447 3.833 0 40 DHAB CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2Cl)cs1 96417554 NJNVLVGHOMJIQN-UHFFFAOYSA-N 322.238 3.662 0 40 DHAB Cn1cc(CN[C@@H]2CCCOc3c2ccc2ccccc32)cn1 96460037 HORCHTPFIMRMHE-GOSISDBHSA-N 307.397 3.577 0 40 DHAB C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108981044 BODPWXQMNACCCN-DNUAJFIVSA-N 324.424 3.825 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C(=O)O)co1 183757503 CCQCBDMTJPVGRW-JTQLQIEISA-N 313.309 3.557 0 40 DHAB COC(=O)c1ccccc1OCc1ccc(Br)cc1 215689607 JPISDACGGUNUBD-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2F)cc1 225711790 YJTYDHUESHZKTJ-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB Fc1cccc(C[n+]2cccc(-c3nc4ccccc4o3)c2)c1 226308196 OCWPRYMMYXMOTE-UHFFFAOYSA-N 305.332 3.970 0 40 DHAB Nc1nc(-c2ccccc2Cl)c2cc(Cl)ccc2nc1=O 228968575 LCFWIXDQYIEZIK-UHFFFAOYSA-N 318.163 3.546 0 40 DHAB Brc1ccc(C2(c3ccno3)CCOCC2)cc1 524732724 XCLDIYSDTGQVOV-UHFFFAOYSA-N 308.175 3.534 0 40 DHAB Cc1cccc2c1[C@@H](C)C[C@H]2Cc1nc(-c2ncccn2)no1 582451750 YDXQPTBPICVILL-STQMWFEESA-N 306.369 3.669 0 40 DHAB Cc1nc2ccc(C(=O)NCCC3=CCCCC3)cc2nc1C 216141 RKKFYYQYCIFCDH-UHFFFAOYSA-N 309.413 3.867 0 40 DHAB CCc1ccc([C@H]2C[C@H](c3ccccc3F)n3nnnc3N2)cc1 222822 NXGNDKJCZITQPP-IAGOWNOFSA-N 323.375 3.521 0 40 DHAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)cc3)ccc12 310151 HLFUNXKHPYLLSF-UHFFFAOYSA-N 314.724 3.974 0 40 DHAB COc1ccc(OC)c([C@@H]2Nc3ccccc3-c3cc(C)nn32)c1 817642 XCRXYNVNIQWWIL-LJQANCHMSA-N 321.380 3.848 0 40 DHAB CC[C@@H]1Nc2ccccc2-c2nnc(SC(C)C)nc2O1 997679 GRRNMNKDWKAZLG-GFCCVEGCSA-N 302.403 3.580 0 40 DHAB CSc1nc2nc(-c3cccc(C(F)(F)F)c3)ccn2n1 1390646 RSIORMBDMKLWLJ-UHFFFAOYSA-N 310.304 3.532 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccnc2ncnn12 1393353 CWJSGPLPYFBOGX-MRVPVSSYSA-N 309.156 3.571 0 40 DHAB CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O 1787537 YXRPKEAKGALMDS-UHFFFAOYSA-N 318.369 3.798 0 40 DHAB Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(O)c1 3340020 YOICDDKFGUJUDA-UHFFFAOYSA-N 321.380 3.755 0 40 DHAB Cc1sc2ncnc(NC[C@@H](c3ccco3)N(C)C)c2c1C 3410498 MQYLLBWQSGCGOM-LBPRGKRZSA-N 316.430 3.616 0 40 DHAB O=c1c2ccccc2nc(-c2ccc(Cl)c(Cl)c2)n1O 4059958 BVLIDGAETAXMEG-UHFFFAOYSA-N 307.136 3.608 0 40 DHAB CCc1nnc(NC(=O)[C@H](C)Sc2ccc(C)cc2)s1 4274289 RAQYKYXMPNENPE-JTQLQIEISA-N 307.444 3.528 0 40 DHAB Sc1nnc(-c2cccs2)n1-c1cccc2ncccc12 4710602 YNEFBKSERMTHHB-UHFFFAOYSA-N 310.407 3.833 0 40 DHAB CCC(=O)O[C@]1(c2ccccc2)CCN(CC2CC2)C[C@@H]1C 5046332 FGZVDOOZHOVBIL-HNAYVOBHSA-N 301.430 3.587 0 40 DHAB O=C(COc1ccccc1F)Nc1cccc(Br)c1 5558309 NJNXCJCGFGDDSM-UHFFFAOYSA-N 324.149 3.606 0 40 DHAB c1cc2nnc1SCCSCCCSCCS2 6002017 QEVNNLDUBMYMAE-UHFFFAOYSA-N 304.531 3.531 0 40 DHAB C[C@@H](Sc1nc2ccccc2o1)C(=O)NC1CCCCC1 6061006 QZSKIEIALQSLHY-LLVKDONJSA-N 304.415 3.757 0 40 DHAB O=C(CSCc1cccc(F)c1)Nc1ccc(F)cc1F 7146240 WRDGGIHFXCDSCC-UHFFFAOYSA-N 311.328 3.976 0 40 DHAB Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc(F)cc2)c1 7777727 WPOLYTVPTAYCQY-CQSZACIVSA-N 300.377 3.593 0 40 DHAB C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 9378158 ANDSXQVZUKOQTA-ZDUSSCGKSA-N 324.359 3.894 0 40 DHAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(F)c(F)c1 10221708 VFDLNPYPJYIQJX-UHFFFAOYSA-N 301.336 3.817 0 40 DHAB Cc1cccc(NC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)c1 11009166 WKWRHJNJPPGVNU-KRWDZBQOSA-N 320.396 3.824 0 40 DHAB C[C@H]1CCc2c(C(=O)Nc3ccccc3C(=O)O)csc2C1 11689779 DDRZFSOXBRPLMC-JTQLQIEISA-N 315.394 3.823 0 40 DHAB CC(C)(C)NC(=O)Cn1ccc2ccnc(-c3cccs3)c21 12231433 YUVUDUJFTMAKKN-UHFFFAOYSA-N 313.426 3.680 0 40 DHAB Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12595081 PPXSBEUHPQUTEL-LBPRGKRZSA-N 303.793 3.791 0 40 DHAB Cc1nc2cc(NC(=O)c3cccc4cccnc34)ccc2o1 12998201 KBGFOZKBUHDXBV-UHFFFAOYSA-N 303.321 3.937 0 40 DHAB CC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCCCC2)cc1 13253206 CMXLVJAMWPMMFG-UHFFFAOYSA-N 317.385 3.643 0 40 DHAB Clc1ccc(-c2cc3ncnc(-n4cnnc4)c3s2)cc1 14201380 PUCHQWOCEKBJSS-UHFFFAOYSA-N 313.773 3.592 0 40 DHAB Cc1ccccc1CC(=O)Nc1cccc(Br)c1 14562374 PWRIRMQQIAXPIJ-UHFFFAOYSA-N 304.187 3.939 0 40 DHAB CN(C)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 17112783 KAGQPWOYOQZXGZ-INIZCTEOSA-N 307.478 3.702 0 40 DHAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 17916566 PHVJODAZHOSZRV-CYBMUJFWSA-N 309.344 3.502 0 40 DHAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1 19311993 CETOBLUFNFHHJX-QGZVFWFLSA-N 315.344 3.682 0 40 DHAB CCCCC(=O)Nc1ccc(OC)c(-c2ccc(CO)o2)c1 20136593 WXQYYKYCXFPSKT-UHFFFAOYSA-N 303.358 3.576 0 40 DHAB CCc1cc(OS(=O)(=O)c2cccs2)ccc1Cl 21820560 MCBHKYTWSLFMPL-UHFFFAOYSA-N 302.804 3.732 0 40 DHAB O=C(CSC1CCCC1)N1CCc2[nH]c3ccccc3c2C1 22934493 SEJHRHQZARLICH-UHFFFAOYSA-N 314.454 3.728 0 40 DHAB CC(C)=CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 24748965 OLEJKAPZZVPANB-SFHVURJKSA-N 319.408 3.929 0 40 DHAB COc1ccc(CN(C(=O)NCc2ccccc2)C2CC2)cc1 25078401 YRZFMPCJGFSMPS-UHFFFAOYSA-N 310.397 3.569 0 40 DHAB COCc1ccccc1CNC(=O)c1c(F)cccc1Cl 25795704 BJROJWIFAITZHQ-UHFFFAOYSA-N 307.752 3.556 0 40 DHAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1 29483004 YBWIDZRCOYRQLD-LJQANCHMSA-N 308.425 3.861 0 40 DHAB C[C@@H](NC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 32809051 QIBCVKLGTSWNKP-SNVBAGLBSA-N 312.291 3.859 0 40 DHAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1 32975576 YDESBQLTNBSTFL-GQCTYLIASA-N 303.711 3.994 0 40 DHAB Cc1ccc2nc([C@H]3CCN(C(=O)C4CCCCC4)C3)[nH]c2c1 35442852 IWPLOZYWPQSRHI-HNNXBMFYSA-N 311.429 3.768 0 40 DHAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2C)cc1 38277988 KPCPWCOJCNAPSX-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB FC(F)(F)[C@@H]1CCC[C@H](NCc2c[nH]nc2-c2cccnc2)C1 42959983 DFZUBZOXCPZJDB-KGLIPLIRSA-N 324.350 3.682 0 40 DHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccccc1 44840622 BADVUSGQLDWIIT-GOSISDBHSA-N 311.425 3.820 0 40 DHAB FC(F)n1c(CN2CCO[C@H]3CCCC[C@@H]32)nc2ccccc21 51996687 UMFYDGPZFGXODT-GJZGRUSLSA-N 321.371 3.575 0 40 DHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C)nn1C 65541879 ODKAXJYPOROXDS-CQSZACIVSA-N 300.406 3.561 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1 71326129 TVLKPHGJVMFRMV-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 71870849 CPMBBYFRJYUIEL-JKSUJKDBSA-N 301.434 3.526 0 40 DHAB Cc1nc(NC(=O)c2nnsc2-c2ccccc2)sc1C 72239949 UHAVKOCOROQVMX-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2nccs2)c1 72285914 JIBOJCYCBWZKNE-HNNXBMFYSA-N 300.427 3.748 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)sc1C 72297470 KPPXFJQYPNTDOB-LSDHHAIUSA-N 304.459 3.822 0 40 DHAB CCSCCCN1C(=O)S/C(=C/c2cccs2)C1=O 75148482 PLXWYOAGHYWTQP-PKNBQFBNSA-N 313.469 3.928 0 40 DHAB C[C@H]1Oc2ccccc2CN(c2cc(Cl)ccc2F)C1=O 75165501 YLSUXIAAPTVJCV-SNVBAGLBSA-N 305.736 3.793 0 40 DHAB CCc1c(Cl)nc(C)nc1N(C)CCOc1ccccc1F 76061599 FFVRQJLIOQIKEW-UHFFFAOYSA-N 323.799 3.655 0 40 DHAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCc2cscn2)cc1 76996369 DNHCLYRTCLDGSS-DLBZAZTESA-N 314.454 3.729 0 40 DHAB C[C@H](CC(=O)Nc1ccccc1)NCC1(c2ccccc2)CC1 78355245 FFIGPJMDLZZBPJ-MRXNPFEDSA-N 308.425 3.725 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)CN(CC2CCCCC2)C2CC2)C1 84686223 BQYGAOQMYHGSMX-HZPDHXFCSA-N 306.494 3.536 0 40 DHAB CCc1ocnc1C(=O)OCc1ccc(Oc2cccnc2)cc1 95399981 WGTUZIPIDRVABQ-UHFFFAOYSA-N 324.336 3.781 0 40 DHAB CN[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95858017 LXUIGQVHABEBDW-RVFGVNAFSA-N 305.506 3.978 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccnc1Cl 95963912 IYZVQAQJOOQIBW-CQSZACIVSA-N 304.777 3.840 0 40 DHAB CC[C@@H](C)[C@@H](C(=O)NCCc1cscn1)c1ccccc1 96408456 WFAAIHOHIIQJBU-CZUORRHYSA-N 302.443 3.632 0 40 DHAB CN(C)c1ccncc1CNCc1csc(-c2ccccc2)n1 97115674 NZGQJCQXYOHZOX-UHFFFAOYSA-N 324.453 3.561 0 40 DHAB CCCC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(C)cc1 100425228 LYBYVMGPMFNGFC-RTBURBONSA-N 314.473 3.797 0 40 DHAB CNc1c(NC(=O)Nc2ccccc2C)c(=O)oc2ccccc12 101094839 RZZFXWWTEMCHHW-UHFFFAOYSA-N 323.352 3.787 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 101987016 WWTOWJSXIYROPR-DNRKLUKYSA-N 313.228 3.943 0 40 DHAB C[C@@H](NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(OC(F)F)c1 102792702 CZNYGZVUIOTWQF-CVMIBZJCSA-N 309.356 3.901 0 40 DHAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 107357090 NZUCSJYFIBNCMX-LPEHRKFASA-N 318.364 3.557 0 40 DHAB Cc1ccccc1OCC(=O)n1c(C)c(C(=O)O)c2ccccc21 216722350 SFIRDBSCULHGGX-UHFFFAOYSA-N 323.348 3.676 0 40 DHAB OCCn1c(SCc2ccc(Cl)cc2)nc2ccccc21 218825553 VQLDWWYPWAORTG-UHFFFAOYSA-N 318.829 3.974 0 40 DHAB COc1cccc(OC)c1C(=O)NCc1cccc2ccccc12 222956303 APCHFZPDPXGIKD-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCOc2cccc(C)c2C)cc1 223902038 IKPONZLDQHMFRB-VAWYXSNFSA-N 309.409 3.820 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCOc2cc(C)cc(C)c2)cc1 224056312 VYCOJMMLGLURPO-CMDGGOBGSA-N 309.409 3.820 0 40 DHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 224682016 GLHLLUSIYZESIV-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB CSc1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 225603587 HIBIEMXUMYSJTO-UHFFFAOYSA-N 311.403 3.657 0 40 DHAB CCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(OC)c1 226352737 DPEASIKDHFDLKU-UHFFFAOYSA-N 317.341 3.782 0 40 DHAB O=C(NC1CCC(F)(F)CC1)c1ccc(-n2cccc2)cc1 341482611 NUMKHLIGOZWAFI-UHFFFAOYSA-N 304.340 3.785 0 40 DHAB Cc1ccccc1-n1cc(-c2nc(Cc3ccccc3)no2)cn1 505089275 LDPPAACXNMPLAL-UHFFFAOYSA-N 316.364 3.822 0 40 DHAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ncccn1 585133158 XQDRIMKGULSGJD-LBPRGKRZSA-N 323.425 3.788 0 40 DHAB O=C(O)c1cn(Cc2ccc(Cl)cc2Cl)nc1C(F)F 685936767 XAQWNEHIILUWQV-UHFFFAOYSA-N 321.110 3.874 0 40 DHAB Clc1ccc(CSc2nnnn2-c2ccccc2)cc1 62674 WSKQXCMJGIHFBB-UHFFFAOYSA-N 302.790 3.608 0 40 DHAB COc1ccc([C@@H](C)c2cc3c(cc2OC(C)=O)OCO3)cc1 1581526 WJWZERQIBARMMW-LLVKDONJSA-N 314.337 3.501 0 40 DHAB ClN(Cl)c1nc(-c2ccccc2)nc(N(Cl)Cl)n1 1600114 BSRWAEKQHBFSBB-UHFFFAOYSA-N 324.986 3.767 0 40 DHAB Cc1ccc(C)c(C(=O)OCC(=O)NC2CCCCCCC2)c1 3345173 QCMVWWUSLCOOJW-UHFFFAOYSA-N 317.429 3.689 0 40 DHAB COc1ccc(CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 3529670 BMLIGCJBOMKOQC-UHFFFAOYSA-N 324.405 4.000 0 40 DHAB c1ccc(CSc2nnc3ccc(-c4ccco4)nn23)cc1 4376749 CTZFEDNXYXZEIM-UHFFFAOYSA-N 308.366 3.677 0 40 DHAB CCc1ccc(-c2n[nH]c(SC[C@@H]3CCCCO3)n2)cc1 5178608 YGOLPYSSHGVPDU-AWEZNQCLSA-N 303.431 3.695 0 40 DHAB C[C@H]1CCc2nc(NC(=O)Cc3ccc(F)cc3)sc2C1 5268276 FRXFKIOVASCHLK-JTQLQIEISA-N 304.390 3.588 0 40 DHAB S=C1NC(c2ccccc2Cl)=C[C@H](c2ccccc2)N1 5604365 ZJMCRNDSIWQBJM-CQSZACIVSA-N 300.814 3.900 0 40 DHAB Fc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccccc1)=N2 6534151 RJGKQEWUXOEKMT-UHFFFAOYSA-N 316.339 3.655 0 40 DHAB Cc1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccco1 7725666 QNIMWVWXPGIEEF-UHFFFAOYSA-N 324.380 3.822 0 40 DHAB COc1cccc(NC(=O)C[C@H](C)NC2CCC(C)CC2)c1 8324103 JXFOIVVDURXZBO-SLTAFYQDSA-N 304.434 3.581 0 40 DHAB CN(c1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 8756206 YHVVUFRCTWSULU-UHFFFAOYSA-N 322.238 3.880 0 40 DHAB c1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)co2)cc1 9154188 PMEKEIANIPCNRZ-UHFFFAOYSA-N 319.320 3.971 0 40 DHAB Cc1sc2nc([C@@H](C)Sc3nncs3)nc(N)c2c1C 10658663 KUYJSGWQXXNWBD-SSDOTTSWSA-N 323.472 3.595 0 40 DHAB Cc1cc([C@@H]2CCCCCN2C(=O)c2ccc(F)cc2)on1 12133844 KKEGEDIWPMWMDB-HNNXBMFYSA-N 302.349 3.880 0 40 DHAB O=C(c1ccc(Cl)cc1)c1ccc(OC2CCNCC2)cc1 14631931 JHVKILBUWGVULU-UHFFFAOYSA-N 315.800 3.702 0 40 DHAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc2c(c1)CCCC2 15092294 XFNFCMGMPXRAKQ-ZDUSSCGKSA-N 319.408 3.933 0 40 DHAB COc1cccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)c1 15670739 CXYUDNLPLOLWSO-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB O=C(Cc1ccccc1)NCc1csc(-c2ccccc2)n1 15832433 GPMDZVNTXNVXOV-UHFFFAOYSA-N 308.406 3.669 0 40 DHAB Cc1cc(OCC(=O)Nc2cccc(N)c2C)cc(C)c1Cl 19736243 LWMVRWYORIIMKB-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB CCCCCCOc1ccc(/C=C2/SC(=O)NC2=O)cc1 20582425 VKOXDNHNJORSTA-SDNWHVSQSA-N 305.399 3.970 0 40 DHAB O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1 21695718 IGWPCIPOCZMVIO-UHFFFAOYSA-N 317.791 3.870 0 40 DHAB CCCCC(=O)NCc1csc(-c2ccc(OC)cc2)n1 21785871 MCAREWWLQCTNCW-UHFFFAOYSA-N 304.415 3.625 0 40 DHAB Cc1ccc2[nH]c(C)c(CC(=O)N[C@@H](C)c3ccncc3)c2c1 24541980 MZUKBBMHMOPDNT-ZDUSSCGKSA-N 307.397 3.600 0 40 DHAB O=C(NC1CC1)c1ccc(SCc2cn3ccccc3n2)cc1 27481886 LJEHRNIOMGCNHS-UHFFFAOYSA-N 323.421 3.519 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(C(C)C)s1 27663490 HCFUOLZVBPVUBP-GFCCVEGCSA-N 323.393 3.597 0 40 DHAB O=C(CCC1CCCC1)Nc1ccn(Cc2cccc(F)c2)n1 27916568 UYFMUIOSJPCYHQ-UHFFFAOYSA-N 315.392 3.979 0 40 DHAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)NC1CCCCC1 27920480 XHOABFKLDDWIGV-UHFFFAOYSA-N 316.380 3.525 0 40 DHAB Cc1noc(C)c1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 32465678 AVBKLRGBGASVIM-UHFFFAOYSA-N 312.373 3.718 0 40 DHAB Cc1cc(NC(=O)/C=C/c2ccccc2)n(-c2ccc(F)cc2)n1 32648419 MDZWKLBQNSRODH-KPKJPENVSA-N 321.355 3.972 0 40 DHAB Cc1cc(C)c(NC(=O)CSc2nnc(C(C)C)o2)c(C)c1 32863517 GXXRRTICNOGVMX-UHFFFAOYSA-N 319.430 3.849 0 40 DHAB Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c2c(C)noc2n1 36613998 MCZJJGDCGSHHTK-MRXNPFEDSA-N 321.380 3.647 0 40 DHAB O=C(Nc1ccccc1O)c1cc2c(nc3sccn32)s1 36626794 FADMYTXTRQBCBL-UHFFFAOYSA-N 315.379 3.568 0 40 DHAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2cccc(F)c2)C1 40284047 OIBCCDGGMLBAJZ-AWEZNQCLSA-N 308.316 3.530 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1nncs1 43129401 JVRFRIZUOWWQFU-VIFPVBQESA-N 302.359 3.509 0 40 DHAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(C)C(=O)C1 44291278 XRUMROJXLWVEFR-CQSZACIVSA-N 316.445 3.740 0 40 DHAB CCC[C@@H](C(=O)NCCCn1nc(C)cc1C)c1ccccc1 46866870 CDXLROVJYRQOAO-GOSISDBHSA-N 313.445 3.590 0 40 DHAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccccc1 49466794 GVMBGGUZFSEUBM-QZTJIDSGSA-N 323.392 3.852 0 40 DHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cc2ccccc2o1 51411962 DFAUBDOPPGKVKX-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB CC[C@@H](C)C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 57994549 QBUIAYSSXYXZNN-LLVKDONJSA-N 300.406 3.754 0 40 DHAB CCN(CC)[C@@H](CNC(=O)c1cc(C)ccc1C)c1ccco1 58085189 OPAUEIICZNYOGV-KRWDZBQOSA-N 314.429 3.709 0 40 DHAB C[C@H](O)CN(Cc1cc(-c2ccccc2)no1)c1ccccc1 58416617 IDLVMZMADKFTFG-HNNXBMFYSA-N 308.381 3.729 0 40 DHAB CCc1oc2ccccc2c1/C=C/C(=O)OCC1(C)COC1 66522531 JSQMJGJXANVBGH-CMDGGOBGSA-N 300.354 3.588 0 40 DHAB COc1cccc(C[C@@H](C)NCc2nc3cc(C)c(C)cc3[nH]2)c1 67982107 AOQVSGGXACTGSD-OAHLLOKOSA-N 323.440 3.909 0 40 DHAB Oc1cccc(CNCc2ccnc(OCc3ccccc3)c2)c1 69453324 YVCFCKJSZXPDNA-UHFFFAOYSA-N 320.392 3.656 0 40 DHAB CCOc1cc(/C=C/C(=O)N2CCCCCC2)ccc1OC 70708550 KULSEDASPNLIGD-PKNBQFBNSA-N 303.402 3.510 0 40 DHAB Cc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 72227785 BTDVEIHAOLRLFE-CABCVRRESA-N 321.207 3.717 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)COC2CCCCC2)n1 72232430 YKPLJXZMQBFJOU-HNNXBMFYSA-N 322.474 3.854 0 40 DHAB CC(=O)c1ccccc1C(=O)N1C[C@H](c2ccsc2)C[C@@H]1C 73939848 SSENGCHOQIQLBD-SWLSCSKDSA-N 313.422 3.969 0 40 DHAB CC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1 74439365 GUMHVFXNNLHOBL-UHFFFAOYSA-N 322.286 3.864 0 40 DHAB COc1ccc([C@@H]2CCC(=O)N2Cc2ccccc2OC)cc1 75876648 LITSTIIRBIFTIW-KRWDZBQOSA-N 311.381 3.568 0 40 DHAB CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(C)ccc2C)C1 76068749 OJUOBLSTJBTCCS-HZPDHXFCSA-N 320.502 3.848 0 40 DHAB Cc1cc([C@@H](C)NC(=O)NC[C@H](O)c2ccsc2)c(C)s1 89582380 ALZLOJOWSVQJGQ-YGRLFVJLSA-N 324.471 3.520 0 40 DHAB Cc1cc(C)cc([C@@H](N[C@@H](C)c2cnn(C)c2)c2cccnc2)c1 95422185 TZBXRSCTSFHMFZ-JXFKEZNVSA-N 320.440 3.872 0 40 DHAB Cc1cc(CSc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)no1 95442193 DTXBCPIGQMORSS-YGRLFVJLSA-N 306.435 3.926 0 40 DHAB Cc1ncccc1CNc1ccccc1N1C[C@H](C)O[C@H](C)C1 95448630 SBKXJOCPEGOHHM-GASCZTMLSA-N 311.429 3.616 0 40 DHAB CC(C)(C)OC(=O)N1c2ccc(Cl)cc2[C@@H]2CNCC[C@H]21 95635409 IZHFFHWVHONBQY-GXTWGEPZSA-N 308.809 3.541 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NC[C@H]1CCN(C2CC2)C1 96476610 YWNSPUQHHJOWJP-CRAIPNDOSA-N 312.457 3.507 0 40 DHAB CSc1nc2cc(I)c(Cl)cc2[nH]1 98179975 MZRYEOHHJIRTFJ-UHFFFAOYSA-N 324.574 3.543 0 40 DHAB Cc1cc(Br)ccc1-c1ncn([C@H]2CCCCO2)n1 113925864 LATBONJJTYBHKN-CYBMUJFWSA-N 322.206 3.715 0 40 DHAB C[C@@H](CN1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1 187179453 ASAVMGWYHDAVAO-AWEZNQCLSA-N 320.864 3.530 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)c2cc3ccccc3o2)c1 224031647 BKIOJIMCZBJMCF-UHFFFAOYSA-N 309.365 3.858 0 40 DHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)cc1 225623707 YCFIQKDUNZQCSD-SFHVURJKSA-N 323.433 3.636 0 40 DHAB CCCO[C@@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@@H](C)C1 225910912 MBKUBTMFPIPDBY-ACJLOTCBSA-N 320.433 3.713 0 40 DHAB C[C@@H]1C[C@@H]1c1noc(-c2c[nH]nc2-c2cccc(Cl)c2)n1 571297014 FUFBQEHASAZLEA-KCJUWKMLSA-N 300.749 3.904 0 40 DHAB COc1ccc(F)c(CN[C@H]2CCCc3cnn(C(C)C)c32)c1 585085839 DLRQQNUPTQIXQD-KRWDZBQOSA-N 317.408 3.779 0 40 DHAB CS[C@@H]1CCCCN(C(=O)c2cnc(-c3ccccc3)o2)C1 585126467 ZOKSSWIPVXTPGI-CQSZACIVSA-N 316.426 3.699 0 40 DHAB O=C(Nc1ccccc1C(F)(F)F)c1cc(C2CC2)ncn1 1775975205 BUMZEMALHCOTCV-UHFFFAOYSA-N 307.275 3.625 0 40 DHAB Cc1ccc(-c2cc(-c3ccc(F)cc3)n3ncnc3n2)cc1 204492 BMHJTHCTMXQDPJ-UHFFFAOYSA-N 304.328 3.906 0 40 DHAB CC(C)Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 269937 RCCZKHCEXJBLRF-UHFFFAOYSA-N 315.438 3.637 0 40 DHAB CCOC(=O)c1sc(Nc2ccc(OCC)cc2)nc1C 413991 NKZKUVRIDUIGDC-UHFFFAOYSA-N 306.387 3.771 0 40 DHAB COc1ccccc1CCNc1ncnc2c1[nH]c1ccccc12 485824 HNODEQFJBFYGGE-UHFFFAOYSA-N 318.380 3.774 0 40 DHAB biogenic CCn1c2ccccc2c2cc(NS(=O)(=O)CC)ccc21 2065860 PAAQIUWKIIIFAE-UHFFFAOYSA-N 302.399 3.576 0 40 DHAB O=C(/C=C/c1ccco1)NCCc1c[nH]c2ccc(Cl)cc12 2325747 SWRWZCODCVGVBX-GQCTYLIASA-N 314.772 3.786 0 40 DHAB CCCCc1ccc(NC(=O)CSc2nnc(C)s2)cc1 2582778 RDZRRYLEOROBOO-UHFFFAOYSA-N 321.471 3.920 0 40 DHAB CCN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 2620787 LSOJXAIKTDGQEE-UHFFFAOYSA-N 324.453 3.500 0 40 DHAB Cc1cc2oc(=O)cc(Cn3ccsc3=N)c2cc1C(C)C 3868411 XYJYGCNDJKQQEM-UHFFFAOYSA-N 314.410 3.616 0 40 DHAB C[C@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2)[C@@H]1C 4614797 LPMPPYTYFNJDFX-YWPYICTPSA-N 324.262 3.933 0 40 DHAB CC(C)(C)NC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854336 AHXVIQYRTGRLIW-MRXNPFEDSA-N 315.392 3.540 0 40 DHAB O=C(/C=C/C1=Cc2ccccc2OC1)N1CCCc2ccccc21 5034453 GDHBOQSLCFWNCJ-VAWYXSNFSA-N 317.388 3.998 0 40 DHAB Cc1ccc(SCc2nc3ccsc3c(=O)[nH]2)c(C)c1 5263264 KJNQDEFHTIATTG-UHFFFAOYSA-N 302.424 3.894 0 40 DHAB CCn1cc(NC(=O)NCc2cccc(OC)c2)c2ccccc21 5266088 DYTXKWNQBMSFSF-UHFFFAOYSA-N 323.396 3.992 0 40 DHAB O=C(COc1ccc(-c2ccccc2)cc1Cl)NC1CC1 5366262 SWGBDRYEFRLZSB-UHFFFAOYSA-N 301.773 3.664 0 40 DHAB CC[C@](O)(c1ccccc1)c1cnc(C)n1Cc1ccccc1 5502324 FLIYIFLGOGWACE-FQEVSTJZSA-N 306.409 3.886 0 40 DHAB Cc1cc2nc(SCc3ccc(C(=O)O)o3)[nH]c2cc1C 8729664 GEDRIPAMQZXMOO-UHFFFAOYSA-N 302.355 3.763 0 40 DHAB O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2N1 10642202 SPCVUXKSFLJGJP-NSHDSACASA-N 318.735 3.544 0 40 DHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)NC1CCCCC1 10684208 ORTORUMDBKGXSA-CYBMUJFWSA-N 317.433 3.669 0 40 DHAB Cc1nc(SCc2ccc(C(N)=O)cc2)n(CC(C)C)c1C 11306611 HETBHTLELOPRKL-UHFFFAOYSA-N 317.458 3.547 0 40 DHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCc2ccccc21 11368007 QPRNABNXLQLVRM-UHFFFAOYSA-N 318.376 3.864 0 40 DHAB CCCCc1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 12880957 JRVAHZWCDHWHCA-GOSISDBHSA-N 324.432 3.671 0 40 DHAB Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CCCC[C@H]2C)c1C 13147942 JJYYMWPJODJYLK-ZTFGCOKTSA-N 305.462 3.520 0 40 DHAB Cc1nc2ccc(NC(=O)CC3(C(=O)O)CCCC3)cc2s1 13249547 QACRYUBHCZLWEN-UHFFFAOYSA-N 318.398 3.578 0 40 DHAB S=C(Nc1ccc2c(c1)OCO2)NC1CCCCCCC1 13818556 ODZBHRLGRLKDKX-UHFFFAOYSA-N 306.431 3.815 0 40 DHAB COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 14223743 UCSVWYDWGYGCJZ-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CCC1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1 17031656 APJCVEWDKNHYFX-UHFFFAOYSA-N 307.868 3.649 0 40 DHAB C[C@H](C(=O)Nc1ccc(-c2cccc(F)c2)cc1)n1ccnc1 19080615 MTNDUAPVKGLKJK-CYBMUJFWSA-N 309.344 3.889 0 40 DHAB CCCc1cc([C@H]2CCCCCN2C(=O)c2cccnc2)no1 19525402 BYLYYEOIEKJGMH-QGZVFWFLSA-N 313.401 3.780 0 40 DHAB COc1cccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 19565159 PKEIYCPMEZLRHG-KRWDZBQOSA-N 321.424 3.951 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)c(C)c1 19736443 GSNHPMDFZPZDJD-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CCN(Cc1cccs1)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 25287908 OTXUMOHUIXIBGP-UHFFFAOYSA-N 316.426 3.566 0 40 DHAB c1cnc2c(COc3ccc(-c4nnco4)cc3)cccc2c1 25813725 CZRIDLHDVOFCAD-UHFFFAOYSA-N 303.321 3.864 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c(C)c1 27377231 PFHWNDSEQDXKSQ-UHFFFAOYSA-N 324.424 3.942 0 40 DHAB C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1ccc(Cl)cc1Cl 28411555 PNPFXGSDPLTGRD-NXEZZACHSA-N 312.200 3.628 0 40 DHAB COC(=O)c1ccc(CSc2nc3ccccc3nc2C)o1 29282159 JMKFBGCLNRWMOH-UHFFFAOYSA-N 314.366 3.610 0 40 DHAB CCc1[nH]c(C(=O)N(CC)CC(CC)CC)c(C)c1C(=O)OC 32263031 RJPIRNDJDKUYJQ-UHFFFAOYSA-N 322.449 3.570 0 40 DHAB Clc1ccccc1N1CCN(c2nc3ccccc3o2)CC1 32688936 ZURDWKDEMSHZTO-UHFFFAOYSA-N 313.788 3.808 0 40 DHAB CCc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 32913031 ANIALMILNNWUKP-UHFFFAOYSA-N 305.381 3.746 0 40 DHAB C[C@@H](CNCc1cccc(Cl)c1Cl)Oc1ccccn1 35287333 QLIXCNJLFQTWCT-NSHDSACASA-N 311.212 3.946 0 40 DHAB C[C@@H]1CCCCN1CCCCNC(=O)/C=C/c1cccc(F)c1 40108156 XFJBGOLPISUGQO-SIFUEBAJSA-N 318.436 3.610 0 40 DHAB Cc1cccc(N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 40161219 SVQPHXNIAVOCIS-SJORKVTESA-N 310.441 3.933 0 40 DHAB CCc1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42770588 XCRXFNBRGIWFDT-CYBMUJFWSA-N 312.251 3.923 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C)cc1 44903140 KDKLFXSJQAAVMS-KRWDZBQOSA-N 301.361 3.608 0 40 DHAB CC(C)NC(=O)Nc1ccccc1NC(=O)C1CCCCC1 47375193 HPCKTGQDZGTEFR-UHFFFAOYSA-N 303.406 3.735 0 40 DHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccccc1 49466776 UVYDAWWNLLEVJU-ROUUACIJSA-N 323.392 3.708 0 40 DHAB COc1ccc(-c2nc3c4c(C)c(C)sc4nc(C)n3n2)cc1 49550612 IHBVPJKUJCLWSH-UHFFFAOYSA-N 324.409 3.940 0 40 DHAB Cc1cccc(C(=O)Nc2c(Cl)ccc3nsnc23)c1 57314046 HAKJUSHVYUCPEG-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB Cc1cccc(C)c1NC(=O)CNCc1cccc(Cl)c1 58160400 HRUSUBPJOCIKSP-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB CC(C)N(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 69559734 GCWQBOKMADVUNW-HOTGVXAUSA-N 317.820 3.619 0 40 DHAB CCCOC(=O)c1cc(N)c(N2CCCC[C@@H]2C)c(Cl)c1 70462597 XRMRLIKXJRQIJY-NSHDSACASA-N 310.825 3.868 0 40 DHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@@H]2c2ccncc2)s1 71827014 DXXAUHKXSVOCDS-CYBMUJFWSA-N 315.442 3.813 0 40 DHAB CC(C)Oc1ccc(Cl)cc1-c1noc([C@H]2CCCNC2)n1 72209129 UBRFZROFCSZQGF-NSHDSACASA-N 321.808 3.644 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1N1CCCC1 72215979 TVMYWRZUKDUKQM-OAHLLOKOSA-N 317.433 3.754 0 40 DHAB CC(C)OC1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 72271253 VIABVKBXTMOYPT-GOSISDBHSA-N 301.430 3.523 0 40 DHAB CCn1c([C@H]2CCCN2Cc2cc(C)no2)nc2ccccc21 84131711 OOVFSGFLLFOXBA-QGZVFWFLSA-N 310.401 3.690 0 40 DHAB Nc1c(Br)cnn1C1CCC(C(F)(F)F)CC1 85126430 RVYPBQJSZNTKEP-UHFFFAOYSA-N 312.133 3.521 0 40 DHAB Cc1ccc(C)c([C@H]2CCCN2c2cnnc(O)c2Cl)c1 95416579 RYJSTUOCBPHZBB-CYBMUJFWSA-N 303.793 3.794 0 40 DHAB CC[C@H](NC(=O)NCc1cccc(Cl)c1)c1c(C)noc1C 95441246 OKERUDMJPIBTLG-AWEZNQCLSA-N 321.808 3.895 0 40 DHAB CCC[C@@H](NC(=O)NCc1c(C)noc1C)c1cccs1 95955396 IITYVKJPTFAWRJ-CYBMUJFWSA-N 307.419 3.694 0 40 DHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cnccc1OC 95963606 AVKOBOJCOXTKJK-CYBMUJFWSA-N 320.776 3.540 0 40 DHAB Cc1cnc([C@@H](C)NCc2ccccc2OCc2cccnc2)o1 96003613 VRRNZNXSRYGFTL-OAHLLOKOSA-N 323.396 3.808 0 40 DHAB O=C(NCc1ccc2ccccc2c1)N[C@H]1CCO[C@H](C2CC2)C1 97379119 GFJRXPMQEDMCDV-OALUTQOASA-N 324.424 3.597 0 40 DHAB C[C@]12C[C@@H](NC(=S)N1c1ccccc1)c1cc(F)ccc1O2 101166975 MDMCCJKKIVUZSU-PBHICJAKSA-N 314.385 3.760 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1nc(C(C)(C)C)cs1 106796966 NWUYFUWKPVQZIJ-QMMMGPOBSA-N 311.838 3.913 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1 224398043 COAQJKBBYIRSFX-OAHLLOKOSA-N 317.454 3.738 0 40 DHAB O=C(Nc1ccc(OC2CSC2)cc1)c1cccc(F)c1 224958702 OAEGRGVVBMQGLT-UHFFFAOYSA-N 303.358 3.572 0 40 DHAB Cc1cccc(NC(=S)NCCSCc2ccccc2)n1 225291779 WLBNPWJYFKJUQK-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB CCOc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1C 225334527 PAOAIVMMEPSAAY-UHFFFAOYSA-N 313.397 3.511 0 40 DHAB Cc1ccc(Nc2ccc(N)cc2C(=O)N2CCCC2)cc1C 225465645 CHXRMNOLSNHOHU-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB Fc1cccc(F)c1NC(=S)NCCCOC1CCCC1 225619852 PXVVQDSRHSOKFS-UHFFFAOYSA-N 314.401 3.601 0 40 DHAB CCCCc1ccc(-n2nc3cc(N)c(OCC)cc3n2)cc1 226264996 SHCGAMHFXPDAFF-UHFFFAOYSA-N 310.401 3.744 0 40 DHAB Cn1c(SCCC(F)(F)Cl)nnc1-c1cccs1 585119181 VLGUTJMPMUNUDJ-UHFFFAOYSA-N 309.794 3.857 0 40 DHAB COc1ccc(-c2nnn(-c3ccccc3)c2-n2cccc2)cc1 1889302529 WDZPKYFMBWHDBU-UHFFFAOYSA-N 316.364 3.734 0 40 DHAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCC2 127214 HNGQSQVLXMRJDV-UHFFFAOYSA-N 314.410 3.756 0 40 DHAB O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C/c1ccco1 359253 NHTUWSFVRRFNRD-KPKJPENVSA-N 308.120 3.931 0 40 DHAB COc1ccc(-c2nnc(NC(=O)C3CCCCC3)s2)cc1 416554 IRUXHKMWJNHWCQ-UHFFFAOYSA-N 317.414 3.733 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 1173415 DAWKRZJWZRDNLA-OPQQBVKSSA-N 314.212 3.677 0 40 DHAB CN(C)c1ccc(C(=S)NCc2ccccc2Cl)cc1 1443830 SFOITUKVUGFDRQ-UHFFFAOYSA-N 304.846 3.871 0 40 DHAB O=S(=O)(NC1CCCCCC1)c1cccc(C(F)(F)F)c1 3300004 JGVFHYBCFUTIKO-UHFFFAOYSA-N 321.364 3.707 0 40 DHAB c1csc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)c1 3535691 RVTXHYNRAXRBGG-UHFFFAOYSA-N 314.395 3.967 0 40 DHAB O=C(CSCc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4179414 FVARRZHXSIQVPL-GZBFAFLISA-N 309.862 3.878 0 40 DHAB O=c1c2oc3ccccc3c2[nH]c(=S)n1Cc1cccs1 4370973 GVTNRAQALXTRFZ-UHFFFAOYSA-N 314.391 3.915 0 40 DHAB CSc1ccccc1C(=O)Nc1nnc(-c2cccs2)o1 4517448 WLRLFZGUESSOFZ-UHFFFAOYSA-N 317.395 3.772 0 40 DHAB Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)O)cc1 4593194 OPKNYDLGUJOAID-UHFFFAOYSA-N 313.353 3.899 0 40 DHAB C[C@]1(O)[C@H]2CCCCCC2=NN1c1nc2ccccc2s1 5274866 JLSCKUNGRJCNBY-ZBEGNZNMSA-N 301.415 3.761 0 40 DHAB Cc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)c(C)c1 5558599 ULVDWEZWFMUUMM-UHFFFAOYSA-N 324.380 3.630 0 40 DHAB CCC(=O)Nc1ccc(Br)cc1Br 5916349 KDAYVFBAGBIQQI-UHFFFAOYSA-N 306.985 3.560 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)Cc1c(F)cccc1Cl 6309445 NXGOXWXHPDCAKE-LLVKDONJSA-N 321.779 3.908 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 6514734 FXFUYGHNDCSPJN-UHFFFAOYSA-N 324.714 3.829 0 40 DHAB O=c1cc(CSc2ccc3c(c2)CCC3)nc2sccn12 6648976 BKTRIJXLLANCKQ-UHFFFAOYSA-N 314.435 3.537 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1nonc1-c1ccc(F)cc1 6754925 VILGYDTYYVYLOH-IZZDOVSWSA-N 309.300 3.528 0 40 DHAB COc1cc(C(=O)Nc2ncc(C)s2)ccc1OCC(C)C 6969148 PMBJGFSFGGIRMD-UHFFFAOYSA-N 320.414 3.747 0 40 DHAB O=C(Nc1ccccn1)c1ccccc1C(=O)c1ccccc1 8707083 LNLKKNMEMADHBA-UHFFFAOYSA-N 302.333 3.565 0 40 DHAB Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2C)CC1=O 8845073 JRWLJXXSRIVCKJ-HNNXBMFYSA-N 319.408 3.711 0 40 DHAB O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)n1cccc1 8904912 IWAAZGNCICEKKZ-FQEVSTJZSA-N 318.420 3.631 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1Cl 10641886 HSXOOZYWWBWRIB-CYBMUJFWSA-N 314.772 3.713 0 40 DHAB CCC(=O)Nc1ccc(SCc2cc(C)ccc2C)nn1 11739050 FCGRLOYITRCMOY-UHFFFAOYSA-N 301.415 3.734 0 40 DHAB O=C(Cc1cccc(F)c1)n1cccc/c1=N\C1CCCCC1 12920755 CJCDMEWCEMODEM-DYTRJAOYSA-N 312.388 3.744 0 40 DHAB O=C(O)c1ccccc1SCc1nc(-c2ccsc2)no1 12978300 ZMAPUOPLLZIOIB-UHFFFAOYSA-N 318.379 3.789 0 40 DHAB CCOc1ccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)cc1 12982363 FNTXRPSAGWHVRI-IBGZPJMESA-N 324.424 3.521 0 40 DHAB Cn1/c(=N/C(=O)C2CCCCC2)sc2cc(Cl)ccc21 13082733 FBZWJSGKPBGQQN-ICFOKQHNSA-N 308.834 3.901 0 40 DHAB CCCCSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C 13284946 CAQUOAQDZQHIDT-UHFFFAOYSA-N 300.478 3.591 0 40 DHAB Cc1cnc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cn1 14388918 SXPVSESZYIZGNG-HNNXBMFYSA-N 317.392 3.943 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(N)cc2)cc1 17052754 FQGGCNOLUHUXBQ-GFCCVEGCSA-N 314.410 3.591 0 40 DHAB CN(C)CCN(Cc1ccc(F)c(F)c1)Cc1cccs1 19582539 AOHOWQXLKJTPSV-UHFFFAOYSA-N 310.413 3.590 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1C 20042323 BWIZNSKYEBCEPJ-CQSZACIVSA-N 309.475 3.719 0 40 DHAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Cl)cc1 20138218 BLKHSAGPLAUXIG-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB O=C(C[C@H]1NCCc2ccccc21)Nc1cccc(Cl)c1 20404868 YTWCWCMSJVIGPX-MRXNPFEDSA-N 300.789 3.556 0 40 DHAB FC(F)(F)c1nc(S)c2cc(Br)ccc2n1 21953412 YWZJFCNJQMURFC-UHFFFAOYSA-N 309.110 3.700 0 40 DHAB COCc1cccc(NC(=O)CCCOc2ccc(C)cc2)c1 25334907 MQLPBABIOUFYTH-UHFFFAOYSA-N 313.397 3.939 0 40 DHAB CC(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 25702193 ORXJTLLHQRHJGB-INIZCTEOSA-N 316.470 3.904 0 40 DHAB Cc1ccccc1CC(=O)Nc1cccc(Oc2ncccn2)c1 32027205 GJZBOPDTUSRVSG-UHFFFAOYSA-N 319.364 3.759 0 40 DHAB CCCn1nc(C)cc1NC(=O)Nc1cc(Cl)ccc1OC 32610258 SVLQTYMQQSCNGX-UHFFFAOYSA-N 322.796 3.908 0 40 DHAB O=C(c1ccc(NC2CCCCCCC2)nc1)N1CCCC1 32908973 RQTKCOSYBDMQET-UHFFFAOYSA-N 301.434 3.842 0 40 DHAB S=C(NCCC1=CCCCC1)Nc1ccc2ncncc2c1 33706928 HULNTNZPMGCIDF-UHFFFAOYSA-N 312.442 3.807 0 40 DHAB O=C1/C(=C\c2ccc3[nH]ccc3c2)N=C(S)N1c1ccccc1 34927082 VNHJYSZDULHHCX-LFIBNONCSA-N 319.389 3.841 0 40 DHAB N[C@@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1 37799818 QCGWXFZNCUJJHK-LSDHHAIUSA-N 300.427 3.502 0 40 DHAB O=C(CCCc1ccccc1)Nc1ccnn1Cc1ccccc1 40130732 IFQWOUBXODGRJP-UHFFFAOYSA-N 319.408 3.893 0 40 DHAB COc1ccc(OC)c(C[C@H]2C(=O)Nc3cc(Cl)ccc32)c1 40266177 KPXMBXDBBYRIJD-CQSZACIVSA-N 317.772 3.636 0 40 DHAB Cc1noc(C)c1CN(Cc1cccs1)C[C@@H]1CCCO1 40465934 ZRIFJLPUBMACCY-AWEZNQCLSA-N 306.431 3.534 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)c1c(C)noc1C(C)C 44891639 TYFXWKYKFGZHEG-UHFFFAOYSA-N 314.385 3.708 0 40 DHAB CC[C@H]1CCc2nc(NC(=O)c3ccc(Cl)nc3)sc2C1 46784391 NIZGNHDZEKPDID-VIFPVBQESA-N 321.833 3.959 0 40 DHAB O=C(Nc1ccncc1)N1CCC(c2nc3ccccc3o2)CC1 56499149 FPFCLDYSQNJKAU-UHFFFAOYSA-N 322.368 3.634 0 40 DHAB C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@H]1CCc2ccccc21 56769569 HOKZPJKYUZCRIA-KUHUBIRLSA-N 324.424 3.652 0 40 DHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCOCC1 58380699 GFAQAINGYAHUQY-ZWKOTPCHSA-N 301.430 3.598 0 40 DHAB CCc1ccsc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C 60155630 GVICYAKFXXGISP-MRXNPFEDSA-N 316.470 3.652 0 40 DHAB O=C(c1cnc2ccccc2n1)N(C1CCCC1)C1CCCC1 63442617 WHZHONRBGFXDED-UHFFFAOYSA-N 309.413 3.957 0 40 DHAB O=C(Nc1ccc(N2CCCC2)c(F)c1)OCC(F)(F)F 65565985 VKXXBHPWWSQMFZ-UHFFFAOYSA-N 306.259 3.537 0 40 DHAB CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C 67890220 XFMOYHLBBKSCRW-OCCSQVGLSA-N 306.450 3.702 0 40 DHAB biogenic,in-vitro C[C@H](c1cnn(-c2ccccc2)c1)n1ccnc1-c1ccco1 71749858 URQKRGCIYAOUDR-CQSZACIVSA-N 304.353 3.938 0 40 DHAB O=C(NCCCn1ccnc1)c1cccc(-c2ccc(F)cc2)c1 72243325 BLJGTSUNNGYTKN-UHFFFAOYSA-N 323.371 3.509 0 40 DHAB CCO[C@H]1C[C@H](NC(=O)c2sc(C)cc2OC)C12CCCC2 72303472 LCJQZXDRXVBNQO-KBPBESRZSA-N 323.458 3.533 0 40 DHAB CC(C)(C)c1ccc(C(=O)N2CCN=Cc3cc(N)ccc32)cc1 73642202 MYWWMUCHBUVHEU-UHFFFAOYSA-N 321.424 3.646 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC[C@H]1C1CCCC1 84026981 GPSFMGHTWNCPKN-KRWDZBQOSA-N 324.424 3.840 0 40 DHAB NC1(CC(=O)N(Cc2cccs2)Cc2cccs2)CCC1 94294397 QHSVNOHGRZBCIL-UHFFFAOYSA-N 320.483 3.610 0 40 DHAB O=C(OCc1ccc(Oc2cccnc2)cc1)c1cscn1 95350492 XPXDKQWTKJNZBC-UHFFFAOYSA-N 312.350 3.687 0 40 DHAB CC[C@H](c1ccncc1)N(CC)C(=O)NC[C@]1(C)CCCS1 95412607 PVYUDQLMENPNPW-WBVHZDCISA-N 321.490 3.850 0 40 DHAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 95412633 MQXVMZBNXYKAIB-LSDHHAIUSA-N 319.788 3.661 0 40 DHAB O=C(Cn1nc(Cl)c2ccccc21)N(C1CCCC1)C1CC1 95455652 MGQWAGKBFAZBDO-UHFFFAOYSA-N 317.820 3.623 0 40 DHAB CCOc1ccc(OCCOc2c(C)ccnc2Cl)cc1 95458221 TWRUJLXGISUOPH-UHFFFAOYSA-N 307.777 3.900 0 40 DHAB CCc1csc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1 95883349 NSPXVKLJYUMUON-UHFFFAOYSA-N 311.451 3.517 0 40 DHAB O=C(c1ccc2c(c1)OCO2)c1ccccc1OC(F)(F)F 95917428 SSPXDYHXYJGLNK-UHFFFAOYSA-N 310.227 3.545 0 40 DHAB C[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1OC(F)F 95968477 QAYODACGUWAQHY-ZJUUUORDSA-N 313.323 3.572 0 40 DHAB COc1ccccc1[C@@H](C)CNC(=O)c1ccc(SC)o1 96405690 LKEWREYGYCQTIK-NSHDSACASA-N 305.399 3.544 0 40 DHAB CS[C@H]1CCC[C@H](NC(=O)c2c(F)cccc2Cl)C1 96409380 NJBUSDVSTCTTFU-UWVGGRQHSA-N 301.814 3.883 0 40 DHAB Cc1ccc(N2CCC(N[C@@H](C)c3cccs3)CC2)nc1 96478328 KCMUZVDLNXHTSJ-AWEZNQCLSA-N 301.459 3.771 0 40 DHAB O=C(c1cscn1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166470 YGJXXOKCXKOVOJ-GJZGRUSLSA-N 316.401 3.833 0 40 DHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113951894 SLWXHCPVXFBNLL-VQHPVUNQSA-N 301.430 3.766 0 40 DHAB Cc1nscc1C(=O)N(CC(F)F)c1ccc(F)cc1 193871021 RGRJYFFKSKXDIF-UHFFFAOYSA-N 300.305 3.503 0 40 DHAB O=S(=O)(NCC1=CCCCC1)c1ccc2ccccc2c1 223986047 GMMQXVDDDSAJHR-UHFFFAOYSA-N 301.411 3.619 0 40 DHAB S=C(Nc1ccc(N2CCCCCC2)nc1)NC1CCCC1 224035689 QGAVNTAZEXFZPQ-UHFFFAOYSA-N 318.490 3.691 0 40 DHAB CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 225127741 DKLSJHUGDZIKRP-UHFFFAOYSA-N 322.238 3.880 0 40 DHAB Cc1ccccc1NC(=O)c1snnc1-c1cccs1 225787550 GIESOYRYOHONFT-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB C[C@H]1C[C@@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)[C@@H](C)C[C@H]1C 255188729 LEILTLAATFEQFY-RYPBNFRJSA-N 304.221 3.517 0 40 DHAB Fc1ccc2c(C3CCN(Cc4ccncc4)CC3)noc2c1 289772859 LJIRWVOGBWGNIM-UHFFFAOYSA-N 311.360 3.742 0 40 DHAB Cc1cc(C)c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)c1 409229224 LPYKNQPSIHTIEX-WOJGMQOQSA-N 320.392 3.705 0 40 DHAB Cc1nn(-c2ccccc2)cc1N[C@@H](C)c1nc(C(C)C)no1 585138055 LIXCCQWORKMAMM-ZDUSSCGKSA-N 311.389 3.860 0 40 DHAB Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2)cc1 429396 HUFONLUUZZOOJD-UHFFFAOYSA-N 310.422 3.740 0 40 DHAB COc1ccc2[nH]cc(CCNC(=O)OCc3ccccc3)c2c1 518875 ZDQFSJNLDMYFCD-UHFFFAOYSA-N 324.380 3.645 0 40 DHAB biogenic c1ccc(CN2CCc3ncnc(Nc4ccccc4)c3C2)cc1 1556758 YGENYHDNAIOTIZ-UHFFFAOYSA-N 316.408 3.779 0 40 DHAB O=C1[C@@H](O)[C@H](c2ccccc2)c2ccccc2N1c1ccccc1 1564173 IKSHEFTYHQNATA-UXHICEINSA-N 315.372 3.858 0 40 DHAB CCC1(N[C@@H](Cc2ccccc2)c2ccccc2)COCOC1 1668862 IGYJSMIDQHNODT-IBGZPJMESA-N 311.425 3.713 0 40 DHAB CCCc1nnc(NC(=O)CCCOc2cccc(C)c2)s1 1903408 ZDHOYCQILSHMEQ-UHFFFAOYSA-N 319.430 3.597 0 40 DHAB Cc1nn(C)cc1C(=O)N(C1CCCCC1)C1CCCCC1 2780466 SFENYGWGIVORQV-UHFFFAOYSA-N 303.450 3.836 0 40 DHAB CCOc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC2 3432057 ALWLAKKKJYSBDW-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB CC(C)CC(=O)n1nc2c3c(cccc31)C(=O)c1ccccc1-2 3646896 ZVMSHBXMAXACHO-UHFFFAOYSA-N 304.349 3.934 0 40 DHAB Cc1nc(SCc2ccc(Cl)cc2Cl)[nH]c(=O)c1C 5155310 LAAFNCRONFZICF-UHFFFAOYSA-N 315.225 3.986 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccco1 5857286 RYGGDEWGNNOERJ-STQMWFEESA-N 315.369 3.977 0 40 DHAB O=C(Nc1ccc(Br)cc1Cl)c1cccnc1 6226008 ZSAPYNLOAGHIAN-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB COc1cccc(C2=NN=C(N[C@H]3CCCC[C@H]3C)SC2)c1 6468182 HQCXAZBZZBSXHM-DOMZBBRYSA-N 317.458 3.670 0 40 DHAB O=C(NC1CCCCCC1)[C@@H]1COc2ccc(Cl)cc2C1 7954986 WZBKCNAIOTYHMQ-ZDUSSCGKSA-N 307.821 3.730 0 40 DHAB O=C(CCc1ccsc1)Nc1ccnn1Cc1cccs1 7988991 CKIZZVAGPYBYNY-UHFFFAOYSA-N 317.439 3.626 0 40 DHAB O=C(COc1ccc(Cl)cc1)NC1(c2ccccc2)CCC1 8040088 VVWYOFDIGKDPEX-UHFFFAOYSA-N 315.800 3.914 0 40 DHAB CC(C)CNC(=O)[C@H](C)N(C)Cc1ccc(Cl)c(Cl)c1 8532240 UZIKDZLVYJVKHS-NSHDSACASA-N 317.260 3.586 0 40 DHAB COC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3n2C)cc1 8614927 ISRWHOJNWCOEMV-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB aggregator CC(C)Nc1nnc(SCc2cccc(F)c2F)s1 9049952 OMDRGJCAXKEBBD-UHFFFAOYSA-N 301.387 3.929 0 40 DHAB O=C(OCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 10530275 JTMMJPJHBMQAMF-UHFFFAOYSA-N 314.728 3.747 0 40 DHAB Cc1cc(C(=O)CSc2nccn2C2CC2)c(C)n1C1CC1 11893709 YRNLJOURCZLUIC-UHFFFAOYSA-N 315.442 3.946 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1cccc(C(F)(F)F)c1 12859142 VHCHPRZTIWACBX-UHFFFAOYSA-N 312.316 3.903 0 40 DHAB CCc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 12870951 MRZMHPXNNIHWBN-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1ccc(C)cc1)O[C@H](C)C2 12976105 KSYQXABLTPCCSN-CYBMUJFWSA-N 311.381 3.969 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)c2cccc(F)c2)cc1 12980088 SWCHDLXRJBQKBP-UHFFFAOYSA-N 314.404 3.598 0 40 DHAB Cc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccc(C)o1)C3 13227575 XYIGNXXGXKMZPT-UHFFFAOYSA-N 308.337 3.959 0 40 DHAB O=[N+]([O-])/C=C/c1cn(CCOc2ccccc2)c2ccccc12 15009433 FEARWRRQUPRCMS-ZHACJKMWSA-N 308.337 3.968 0 40 DHAB COC(=O)c1cc(O)cc(Oc2cccc(C(F)(F)F)c2)c1 15042852 SKLXDUWXEGRQPE-UHFFFAOYSA-N 312.243 3.990 0 40 DHAB O=C(NCCC1=CCCCC1)[C@@H]1Cc2cc(Cl)ccc2O1 15536044 JHMJQEQCWHRKBG-INIZCTEOSA-N 305.805 3.650 0 40 DHAB Cc1cc(F)ccc1Nc1nc2ccccc2c2nnc(C)n12 16282780 CNXUVJJRBZGXPL-UHFFFAOYSA-N 307.332 3.777 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCCc2ccccc21 20035608 PWPRYCGHPAMUSS-SFHVURJKSA-N 313.372 3.963 0 40 DHAB Fc1cc2ncn(Cc3cc(-c4ccco4)on3)c2cc1F 24426828 QXBSZUAESKHLQE-UHFFFAOYSA-N 301.252 3.611 0 40 DHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(Cl)s1 30658007 KJPNCOQYOHFNQD-UHFFFAOYSA-N 305.790 3.550 0 40 DHAB CN(C(=O)c1ccccc1OCc1ccncc1)c1ccccc1 32034472 XIJWMXXFNJTGLX-UHFFFAOYSA-N 318.376 3.937 0 40 DHAB O=C(CCCc1nc2ccccc2o1)NCc1ccccc1F 32038218 KJSQNPDOLHCWTH-UHFFFAOYSA-N 312.344 3.606 0 40 DHAB Cc1c(Cl)cccc1S(=O)(=O)N(C)Cc1ccsc1 32406877 WLHVUGPADLXBSY-UHFFFAOYSA-N 315.847 3.531 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 32901210 IMUCCNGYPHZXOZ-WFASDCNBSA-N 320.408 3.583 0 40 DHAB CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CCC[C@@H]1c1ccccc1 35571160 QJJFWVCMROGUPE-ZIAGYGMSSA-N 305.374 3.602 0 40 DHAB in-vitro CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 36635448 BSCGREPGKRFNBS-GOSISDBHSA-N 322.408 3.610 0 40 DHAB C[C@H](NC(=O)CCCSc1ccccc1)c1ccccn1 40457494 UVBZTVZNCUNQNS-AWEZNQCLSA-N 300.427 3.831 0 40 DHAB Cn1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c2ccccc21 40472959 YAMRCNKBPRJRPH-NSHDSACASA-N 310.319 3.593 0 40 DHAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cnsn1 47414154 VJGJXNVPGILQNR-UHFFFAOYSA-N 322.349 3.599 0 40 DHAB O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CCCC1 56504502 GXHHLDNRFBYQNU-ZDUSSCGKSA-N 324.808 3.526 0 40 DHAB CCOCc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)coc12 57312210 DZRFWDYMDWMLSN-UHFFFAOYSA-N 314.312 3.841 0 40 DHAB CCN(CC)[C@@H](CNCc1cccnc1)c1ccccc1Cl 61015683 AEMXXLKXRRNAPV-SFHVURJKSA-N 317.864 3.908 0 40 DHAB Cc1cc(-c2nnco2)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 67724331 NGYVSCABNMSYGR-JKSUJKDBSA-N 319.364 3.787 0 40 DHAB C[C@H](c1ccccc1F)N(C(=O)NCc1ccco1)C1CC1 72273194 JNKCKRGGYYDZQH-GFCCVEGCSA-N 302.349 3.854 0 40 DHAB Cc1ccnc([C@]2(C)CCCN2Cc2ccc3cc[nH]c3c2)n1 72388527 YLVCMDUYPFMMHV-IBGZPJMESA-N 306.413 3.778 0 40 DHAB CC(=O)Nc1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1 75402878 PXBYBMRLIRQSRT-UHFFFAOYSA-O 309.414 3.855 0 40 DHAB Nc1nc(Cl)cc(N[C@@H](c2ccc(F)cc2F)C2CC2)n1 78521748 RNOKUGLENXUOFO-CYBMUJFWSA-N 310.735 3.554 0 40 DHAB Cc1ccccc1CN(C)C(=O)Nc1cnn(C(C)(C)C)c1 93276468 QOFDSLODWLUDKP-UHFFFAOYSA-N 300.406 3.610 0 40 DHAB CCN(C(=O)c1ccc(Cl)cn1)[C@H](c1cccnc1)C(C)C 95398771 XTHQEVJZYOEYRI-INIZCTEOSA-N 317.820 3.989 0 40 DHAB CC(C)c1sc(Cl)nc1C(=O)NCC(=O)c1ccccc1 95473958 WGRNWJRVVYJTDC-UHFFFAOYSA-N 322.817 3.533 0 40 DHAB FC(F)(F)C1CCN(Cc2nc(C3CCCC3)no2)CC1 95973106 HQLMJTNPTATSIQ-UHFFFAOYSA-N 303.328 3.502 0 40 DHAB Cc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)o1 96057908 DIUVUJSBVZZRRZ-IPMKNSEASA-N 319.445 3.527 0 40 DHAB c1ccc([C@H]2CO[C@@]3(CCCN(Cc4ccncc4)C3)C2)cc1 96073460 QJMNXUCVMXNXRP-UXHICEINSA-N 308.425 3.620 0 40 DHAB O=C1O[C@@H](Nc2ccccc2)C(Nc2ccccc2)=C1Cl 96231049 QJMYJHRBDWKDEU-OAHLLOKOSA-N 300.745 3.544 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1Cl 97074600 AGBAWIRJXCVEON-HNNXBMFYSA-N 321.779 3.953 0 40 DHAB CC(=O)c1ccc(NC(=O)NCCC[C@H]2CCCCO2)cc1C 97138352 PECDWVMWPBXBLO-MRXNPFEDSA-N 318.417 3.668 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)C1=C[C@@H]3C=C[C@H]4C=C[C@H]1[C@@H]43)C2 104283464 NEXIGXOTTLWWTF-KEILLJCTSA-N 309.453 3.862 0 40 DHAB Cc1cc(C(=O)N(Cc2cccs2)C2CCOCC2)c(C)o1 206674169 BSZVAYIVZGSAAZ-UHFFFAOYSA-N 319.426 3.779 0 40 DHAB C[n+]1cc(Br)cc(-c2nc3ccc(F)cc3s2)c1 226776833 VZUFMXUESWFVHK-UHFFFAOYSA-N 324.198 3.689 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@H]1c1cnccn1 257248325 JDDHOZHALVDDNC-AWEZNQCLSA-N 309.394 3.669 0 40 DHAB CCn1cc(C(=O)N2CCC[C@@H]2c2ncc(C)[nH]2)c2ccccc21 2037677105 XGCIJAXCWUXJMI-QGZVFWFLSA-N 322.412 3.670 0 40 DHAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(F)cc1)CSC2 189433 IUJMJKCIKOMWFA-UHFFFAOYSA-N 319.405 3.776 0 40 DHAB O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 1326667 ZHTYCROTRDJXNO-UHFFFAOYSA-N 319.408 3.512 0 40 DHAB CC(C)COC(=O)c1ccccc1C(=O)OC1CCCCC1 1640880 ACVHLWLOORYJEE-UHFFFAOYSA-N 304.386 3.989 0 40 DHAB in-vitro Cc1cccc(-c2nnc(NC(=O)c3cccc(F)c3)s2)c1 4072104 DFRIQBDIYIJTGC-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc2c(c1)CCCC2 4276190 NCMFSDABENSELJ-UHFFFAOYSA-N 319.364 3.868 0 40 DHAB COc1ccc2sc(Nc3nnc(-c4ccco4)o3)nc2c1 4359832 XFDYULPOZFUZII-UHFFFAOYSA-N 314.326 3.692 0 40 DHAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1cccc(F)c1 4589263 RKBZZPQHOBMSAH-ZROIWOOFSA-N 301.704 3.824 0 40 DHAB CCOC(=O)c1ccc(NC[C@@H]2CCc3ccccc3N2)cc1 4830552 NVTXWNVRYRXWPJ-KRWDZBQOSA-N 310.397 3.702 0 40 DHAB COc1ccc(NC(=O)COc2cccc3ccc(C)nc23)cc1 5198594 ZXRHYKJTEPWLNM-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccccc3)ccc21 5374113 YWXWJLCYUJLCSR-UHFFFAOYSA-N 322.408 3.874 0 40 DHAB Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5414803 QDNRJHNYYCSGRI-UHFFFAOYSA-N 323.179 3.879 0 40 DHAB O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCCCCCC1 6583808 RDVNDTFDPTYHQY-ICSRJNTNSA-N 317.473 3.708 0 40 DHAB Cc1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)c1 6642001 TWBVMRUVMHJBHO-UHFFFAOYSA-N 309.390 3.857 0 40 DHAB CCCNCc1csc(-c2ccc(OCC)c(OC)c2)n1 7003298 BFMVHWLDFFMUPH-UHFFFAOYSA-N 306.431 3.717 0 40 DHAB C/C(=N\Nc1ncnc2sc3c(c12)CCC3)c1ccc(N)cc1 7064331 DLCMJPJTVZHGKQ-UFFVCSGVSA-N 323.425 3.598 0 40 DHAB COc1cc2ccccc2cc1C(=O)OCC(=O)C(C)(C)C 7141089 USACWCUZXFNFDL-UHFFFAOYSA-N 300.354 3.620 0 40 DHAB CCOc1ccccc1NC(=O)CN1CC[C@H]2CCCC[C@@H]2C1 8267421 WLKDIYJMYUEKKD-HZPDHXFCSA-N 316.445 3.536 0 40 DHAB C[C@@H]1CCCCN1C(=S)Nc1ccc(OC(F)F)cc1 8684600 FDFBXCXQVDAQQD-SNVBAGLBSA-N 300.374 3.859 0 40 DHAB CCC[C@@H](CC(=O)Nc1nc2ccccc2s1)n1ccnc1 9338003 OZXINAKSIAUGOP-LBPRGKRZSA-N 314.414 3.863 0 40 DHAB Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1F 9387370 VHTZUIIJVNWBPJ-LLVKDONJSA-N 324.396 3.794 0 40 DHAB CCCCNC1=NN=C(c2ccc(OC)c(Cl)c2)CS1 9613877 PAOGWCWUPBSOSE-UHFFFAOYSA-N 311.838 3.545 0 40 DHAB Cc1nn(CCC(=O)N[C@@H](c2cccs2)C(C)C)c(C)c1C 12200257 CCJRVRHOURAEGU-QGZVFWFLSA-N 319.474 3.773 0 40 DHAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1cc2ccccc2o1 12530774 ZREYMGSUTPGJBO-LLVKDONJSA-N 305.337 3.800 0 40 DHAB Cc1ccc(Nc2nc3ccccc3c3nnc(C)n23)cc1F 16347000 QOJOQFPSYNXQQK-UHFFFAOYSA-N 307.332 3.777 0 40 DHAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCCCC1 22245952 DRABCFLDVMLZEZ-UHFFFAOYSA-N 319.405 3.960 0 40 DHAB Cc1ccc(SCCNC(=O)c2ccc(Cl)nc2)cc1C 23689888 GYEHIERMHQZDQI-UHFFFAOYSA-N 320.845 3.874 0 40 DHAB COCCCNC(=O)c1ccc(CSc2ccccc2)cc1 23977544 VJHVLDDWWLGFJE-UHFFFAOYSA-N 315.438 3.745 0 40 DHAB CCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27663855 HIDPYNRFYJXCER-MRXNPFEDSA-N 308.853 3.783 0 40 DHAB O=C(NCCC1=CCCCC1)NCc1ccc(OC(F)F)cc1 32862759 KTCIMEUPOSLDLW-UHFFFAOYSA-N 324.371 3.978 0 40 DHAB O=C(c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 32911917 OBTGMRJIYJVEKT-UHFFFAOYSA-N 309.346 3.770 0 40 DHAB CCn1ncc(-c2cc(C(F)F)nc(N3CCCCC3)n2)c1C 36618666 LDUDCRNAEOYCHX-UHFFFAOYSA-N 321.375 3.596 0 40 DHAB CCCCN1C(=O)S/C(=C\Nc2ccc(OCC)cc2)C1=O 36636204 SNWMFDWQKSKIPA-KAMYIIQDSA-N 320.414 3.834 0 40 DHAB COc1ccc([C@@H](O)c2ccccc2Br)cc1OC 40243566 HWOKKPHUCIWPRO-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB Cc1cc(Br)c2oc(-c3ccc(N)cc3O)nc2c1 40542283 BMEBMTPUKNWRJN-UHFFFAOYSA-N 319.158 3.854 0 40 DHAB CCCCC[C@@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 44087418 GKSDKESIPVYQOK-GFCCVEGCSA-N 302.378 3.827 0 40 DHAB COc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cn1 44950859 RJORZVKCDPDJHJ-GFCCVEGCSA-N 303.387 3.521 0 40 DHAB Cc1oc(-c2cccs2)nc1CN(C[C@@H]1CCOC1)C1CC1 48235375 FMNARGRYNBPQND-ZDUSSCGKSA-N 318.442 3.712 0 40 DHAB Cc1noc(C2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)n1 53618262 GIXNMWGCYVLLAO-NSHDSACASA-N 305.809 3.972 0 40 DHAB O=C(CC1CCCC1)NCC1(c2cccc(F)c2)CCOCC1 58210448 SVJNPZILQBEITP-UHFFFAOYSA-N 319.420 3.570 0 40 DHAB Cc1sc2ncnc(N[C@H](C)C(=O)O)c2c1-c1ccccc1 58279110 LOZVXJHBSYBFFV-SECBINFHSA-N 313.382 3.552 0 40 DHAB O=C(CCC1CCCC1)NCc1nc(-c2ccncc2)cs1 58428994 WQTQZHGKGBMIBC-UHFFFAOYSA-N 315.442 3.792 0 40 DHAB C[C@@H](SCc1cccc2ccccc12)C(=O)Nc1ncccn1 65610978 BOPBOUJNAMURFX-CYBMUJFWSA-N 323.421 3.890 0 40 DHAB Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccnn1C(C)C 68235094 QXIUMVUWNFLLPT-UHFFFAOYSA-N 310.357 3.680 0 40 DHAB Cc1nc(N(C)C)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72218737 REUUIBBYZJSEQX-AWEZNQCLSA-N 305.422 3.528 0 40 DHAB Cc1ccc(S[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1 72307081 OKGKVXHZWBKJND-HNNXBMFYSA-N 321.442 3.666 0 40 DHAB COCc1ccsc1C(=O)N[C@@H](c1ccccc1)C1CC1 95465976 YCQAZGLQJODGHW-HNNXBMFYSA-N 301.411 3.776 0 40 DHAB COc1cc(C(=O)c2ccc(Cl)c(F)c2)cc(OC)c1OC 95916284 USNTWCLLCQBZOV-UHFFFAOYSA-N 324.735 3.736 0 40 DHAB Cc1ccc(CN2CCC[C@]3(CCN(Cc4ccco4)C3)C2)o1 96215865 JYTDMDGMDZPZMS-IBGZPJMESA-N 314.429 3.669 0 40 DHAB CCCOc1ccc(NC(=O)NCc2ncccc2C)c(C)c1 105012315 BOKHYDGMGRMMCV-UHFFFAOYSA-N 313.401 3.809 0 40 DHAB CCOC(=O)Cc1csc(Nc2ccc(C)c(Cl)c2)n1 105999911 VGADLCRYTFHNNK-UHFFFAOYSA-N 310.806 3.954 0 40 DHAB C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)N1Cc1ccccc1 169616761 IBDBUXNMQVARBX-BFYDXBDKSA-N 318.461 3.953 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1C 223527002 KVUWYLPJVFQZPL-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1cc(F)cc2c1CN(C(=O)c1cc3c(o1)CCCC3)CC2 1519113128 ZIEZTZQSBYQSON-UHFFFAOYSA-N 313.372 3.804 0 40 DHAB O=C(COC(=O)c1cc2ccccc2cc1O)c1ccccc1 162719 FFXRDUPWVUFPJU-UHFFFAOYSA-N 306.317 3.585 0 40 DHAB O=Cc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 966780 GHBZCTMAQQRLKD-GDNBJRDFSA-N 309.346 3.740 0 40 DHAB CCN(CC)[C@@H](C)CC(C(N)=O)(c1ccccc1)c1ccccc1 1586356 NOOZFQJIKQXDCX-KRWDZBQOSA-N 324.468 3.578 0 40 DHAB O=C(O)COc1ccc(Br)cc1-c1ccccc1 1621399 PXZGZXHJYIRBHW-UHFFFAOYSA-N 307.143 3.580 0 40 DHAB Cc1ccc(O)c(C(=O)CCCC(=O)c2cc(C)ccc2O)c1 1632265 QWHXJUHCUIGLPY-UHFFFAOYSA-N 312.365 3.951 0 40 DHAB CCCCn1nc(NC(=O)C(C)C)c2cc3ccccc3nc21 2348990 WPPCEUMXCGOCOP-UHFFFAOYSA-N 310.401 3.979 0 40 DHAB CCOC(=O)CCCCC(=O)c1ccc(CN2CCCC2)cc1 2514598 AOWSJRVVAUCUBN-UHFFFAOYSA-N 317.429 3.589 0 40 DHAB COc1ccc2nc(NC(=O)c3ccc(Cl)nc3)sc2c1 2658146 KSQHQSMPPFKIBT-UHFFFAOYSA-N 319.773 3.606 0 40 DHAB CNC(=O)N(C1=NC[C@@H](C)S1)c1ccc(Cl)c(Cl)c1 3157200 VENNGDXQTKLORL-SSDOTTSWSA-N 318.229 3.631 0 40 DHAB COc1ccccc1CC(=O)Nc1ccc(C(F)(F)F)cc1 3566661 WAGHXEROZBJBOG-UHFFFAOYSA-N 309.287 3.895 0 40 DHAB Cc1cc2cc(CNC(=O)c3ccc(F)c(F)c3)ccc2[nH]1 4138052 UUOHLUTZNVZCSU-UHFFFAOYSA-N 300.308 3.685 0 40 DHAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2)N3)C1 4555581 FJRPBKJDGNWZPX-HNNXBMFYSA-N 313.426 3.555 0 40 DHAB COc1ccc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc2c1 4770671 MWJYWFLUBSHBGY-UHFFFAOYSA-N 320.348 3.962 0 40 DHAB CC(C)c1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 5413644 GWVZOBZDTZAMNF-UHFFFAOYSA-N 314.429 3.755 0 40 DHAB Cc1csc(NC(=O)COc2c(C)cc(Cl)cc2C)n1 5678350 XDQNWSYZOOGEHB-UHFFFAOYSA-N 310.806 3.739 0 40 DHAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)no1 6506427 NZUQMEWBFBAOJU-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 6887183 KCEDLLKSMYNOQE-UHFFFAOYSA-N 323.801 3.652 0 40 DHAB CCCOc1ccc(NC(=O)c2ccccn2)cc1OCCC 6932140 YAJAXPWKHLSJRJ-UHFFFAOYSA-N 314.385 3.912 0 40 DHAB C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1 7777515 XLJLZZZXBUGALJ-BDJLRTHQSA-N 301.773 3.521 0 40 DHAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccccc1F 8728936 UMZOJXUZFNABLO-FMIVXFBMSA-N 324.355 3.604 0 40 DHAB C/C=C/c1ccc(OCC(=O)Nc2ncc(C)s2)c(OC)c1 9762736 MSODRCINYILKRJ-SNAWJCMRSA-N 318.398 3.511 0 40 DHAB Cc1cc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)ncn1 12016748 VRFIYKBJUVJKTD-SNVBAGLBSA-N 307.806 3.558 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)C2CC2)c1C 12971251 NQTNETTZZNSSAV-UHFFFAOYSA-N 316.426 3.700 0 40 DHAB COc1ccccc1/C=C/C(=O)N[C@@H](C)CCc1ccccc1 14909932 ODBMGCTVSUZIFU-IYOXOMEYSA-N 309.409 3.846 0 40 DHAB CCCCn1c(C)c(C)c2c1ncn1nc(-c3ccco3)nc21 15842278 MCJHPALXCXVGPK-UHFFFAOYSA-N 309.373 3.756 0 40 DHAB CCn1c(SCc2cccc(F)c2)nnc1-c1ccco1 16755393 ZVVMRUPYNRRXQZ-UHFFFAOYSA-N 303.362 3.989 0 40 DHAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CCCC1 16850281 CSKIXMRHDKVHIL-UHFFFAOYSA-N 321.833 3.705 0 40 DHAB COc1cc(CNCCc2ccccc2F)cc(Cl)c1OC 20228221 UKLCMVFSMKGFDX-UHFFFAOYSA-N 323.795 3.829 0 40 DHAB Clc1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1 20479034 IHZFWBSGBRSLPS-UHFFFAOYSA-N 304.821 3.689 0 40 DHAB Oc1ccc(C2CCN(c3ncnc4sccc34)CC2)cc1 29530958 DHSSHSXYYVEZRZ-UHFFFAOYSA-N 311.410 3.781 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 31561516 FDMBVKQAPKKSPF-UHFFFAOYSA-N 321.380 3.657 0 40 DHAB CC(C)c1noc2ncc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc12 33100818 KFLMAZSDZSWOAN-GXTWGEPZSA-N 315.417 3.997 0 40 DHAB O=C(CCOCc1ccccc1)N1CCC(c2ccccc2)CC1 40157270 ZRGWDZLPMGNUNF-UHFFFAOYSA-N 323.436 4.000 0 40 DHAB O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccc(F)cc2)[nH]n1 40478349 XFXJMHYJNJOSGI-UHFFFAOYSA-N 317.270 3.746 0 40 DHAB c1csc(-c2nnc(Sc3cnc4ccccc4n3)o2)c1 41872894 TZPZVMLRRIDVBZ-UHFFFAOYSA-N 312.379 3.893 0 40 DHAB O=c1[nH]c(-c2cccs2)nc2sc3c(c12)CCSC3 48412377 HVCHXGUOGNKZRY-UHFFFAOYSA-N 306.437 3.502 0 40 DHAB CCOc1cccc(CO)c1OCc1c(F)cccc1Cl 49345557 MNHIEPYPTRBTJI-UHFFFAOYSA-N 310.752 3.949 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)[nH]n1 51315967 XFKVSYPPLRKRGG-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB Cc1nnc(CN(CCc2ccccc2)Cc2ccccc2)o1 52877012 SUUUOIPPUCDUIV-UHFFFAOYSA-N 307.397 3.623 0 40 DHAB Cc1ccn2cc(C(=O)N(C3CC3)[C@@H](C)c3ccco3)nc2c1 56183719 CJEBOSFQVSHNGJ-ZDUSSCGKSA-N 309.369 3.602 0 40 DHAB COC(=O)c1cc(C(C)(C)C)cc(Br)c1OC 57339135 UZZQQWFMJQWCCU-UHFFFAOYSA-N 301.180 3.542 0 40 DHAB CC(C)c1c(C(=O)N(C)C2CC2)cnn1-c1cccc(Cl)c1 60372688 LAZKMIMISUESIK-UHFFFAOYSA-N 317.820 3.884 0 40 DHAB Cc1cc(C)cc(NC(=S)NCCCN2CCCCCC2)c1 61247049 WRJBLBGLCXWXLB-UHFFFAOYSA-N 319.518 3.856 0 40 DHAB C[C@@H]([C@@H](C)NCc1csc(C2CCCC2)n1)n1cccn1 71882058 DQNWDYFYRREUEE-OLZOCXBDSA-N 304.463 3.737 0 40 DHAB CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 72282202 KAYGOYRMFZACJN-ZIAGYGMSSA-N 304.459 3.768 0 40 DHAB O=C(Nc1ccccc1-c1ccccc1)c1cc2n(n1)CCCO2 77866232 LCCBAZJBKLGUKS-UHFFFAOYSA-N 319.364 3.585 0 40 DHAB CN1CCC(NC(=O)Nc2cccc(-c3cccs3)c2)CC1 78394942 CVOLOPJSGCJWIO-UHFFFAOYSA-N 315.442 3.631 0 40 DHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2[nH]ccc2c1 79043178 AYJRQFMMFBMAON-UHFFFAOYSA-N 322.364 3.560 0 40 DHAB COc1cc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1O 85384107 LAGOFPOITYIETR-UHFFFAOYSA-N 301.733 3.506 0 40 DHAB c1ccc2c(c1)SCCC[C@H]2NC1CCN(C2CC2)CC1 89857773 TYGHMEATAXXEOX-QGZVFWFLSA-N 302.487 3.830 0 40 DHAB Cc1nc(CN(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)no1 95412469 WJPKBTHDKYMGMI-GFCCVEGCSA-N 319.714 3.767 0 40 DHAB COc1ccc([C@@H](C)[C@H](C)NCCc2ncc(C)s2)cc1 95423297 VRDJJHUMCQFDFW-KBPBESRZSA-N 304.459 3.784 0 40 DHAB C[C@@H]1CCO[C@H]1C(=O)N(c1cccc2cccnc12)C1CCC1 95427178 WNZVDQAQDUQFRX-FZKQIMNGSA-N 310.397 3.545 0 40 DHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1OCC[C@H]1C 95440389 WXIINKNGDNRGMJ-WXHSDQCUSA-N 310.463 3.519 0 40 DHAB Cc1ccc(C)c([C@@H](C)NCC(=O)NC[C@H](C)c2ccccc2)c1 95939079 URDKRSKXTKIGJA-ZWKOTPCHSA-N 324.468 3.874 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)cc1 95956837 IYVOIMNQJRZCNI-CQSZACIVSA-N 315.394 3.596 0 40 DHAB CCCOc1ccc(CNC[C@H]2COC3(CCCCC3)O2)cc1 95989204 WDBPPHHAYWXQGQ-SFHVURJKSA-N 319.445 3.641 0 40 DHAB Cc1nccn1-c1ccc(NCc2csc(C(C)C)n2)cn1 95990027 GPLQMVDVLIOFKU-UHFFFAOYSA-N 313.430 3.768 0 40 DHAB C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)c1ncc(-c2ccccc2)o1 96436992 CEJCYUSAPARNIM-LLVKDONJSA-N 321.336 3.949 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(C)c(C)c1 101348326 IJXFQCYNUDFFPF-QGZVFWFLSA-N 306.365 3.525 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 139802747 CZNWBRFTFOBTDG-CYBMUJFWSA-N 301.390 3.677 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)NCCSC1CCCCC1 219481903 FWSMJYUGXHZNHP-AWEZNQCLSA-N 307.459 3.636 0 40 DHAB COc1ccc2c(c1)N([C@@H](C(=O)O)C(C)C)C(C)(C)C=C2C 223209326 KDEBZXAWCYIWSL-MRXNPFEDSA-N 303.402 3.806 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)Cc2ccc(C)cc2C)c1 224109405 XKQNAUHALGTWAC-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB CCOc1cccc(N(CC)S(=O)(=O)c2ccc(C)cc2)c1 224695711 NZWDICZZVQDAFK-UHFFFAOYSA-N 319.426 3.609 0 40 DHAB Cc1c(Cl)cccc1C[C@@H](OCc1ccccc1)C(=O)O 225072848 IUXNKWGUHHAQIO-MRXNPFEDSA-N 304.773 3.861 0 40 DHAB Cc1ccccc1NC(=O)Cc1cccc(Br)c1 225611863 DYFRUJGLRRILFH-UHFFFAOYSA-N 304.187 3.939 0 40 DHAB O=C(NCc1ccnc(-c2cccs2)c1)c1cccs1 225649981 XKXHVPQHNRSHPG-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB CC1CCN(c2ccc(N)cc2NC(=O)Cc2ccccc2)CC1 226253759 FTRDTQXUPCIUBU-UHFFFAOYSA-N 323.440 3.686 0 40 DHAB CN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc13)CC2 226862181 ZDZBTKBSMGUSKV-UHFFFAOYSA-N 323.417 3.764 0 40 DHAB C[C@@H]1CCCCN1CCC1CCN(C(=O)C2[C@@H]3CCC[C@@H]23)CC1 230130493 QTXNORNKKJSXIR-KBAYOESNSA-N 318.505 3.536 0 40 DHAB Cc1cncc([C@@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1 257234706 GUTUSNUSIHYTKC-HNNXBMFYSA-N 315.442 3.947 0 40 DHAB Cc1c[nH]c([C@H]2CCCN2Cc2c[nH]nc2-c2cccs2)n1 257241930 IAGQACHSHMSYPU-CYBMUJFWSA-N 313.430 3.507 0 40 DHAB Clc1cnc(N2CCC[C@H](c3nc4ccccc4o3)C2)nc1 673933006 LVZHAUZTFQCFDK-NSHDSACASA-N 314.776 3.655 0 40 DHAB Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c1C 82094 KGTFKTCAPXXFGA-ZDUSSCGKSA-N 315.438 3.752 0 40 DHAB COc1cccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc12 194258 NZYKPRXPWLVOLJ-UHFFFAOYSA-N 320.304 3.519 0 40 DHAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(O)cc1 527488 RITVSMBRIJDLQT-CQSZACIVSA-N 302.370 3.536 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 2617862 NJWPHZYMJMCWRW-UHFFFAOYSA-N 322.364 3.881 0 40 DHAB Cc1ccc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)cc1C 3230935 OJRMWMYRKTZEMZ-CQSZACIVSA-N 315.196 3.613 0 40 DHAB Cc1noc(C)c1COC(=O)CCCc1c[nH]c2ccccc12 3297204 QPSPLUUJNPKBPB-UHFFFAOYSA-N 312.369 3.839 0 40 DHAB O=C(CNC1CCCCCCC1)NCc1ccccc1Cl 3299460 UZUFZHFUXGDCPK-UHFFFAOYSA-N 308.853 3.659 0 40 DHAB Cc1cc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)ccc1Cl 3865316 HWEKXNATKPHZJB-QLFBSQMISA-N 311.853 3.651 0 40 DHAB CCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 3902195 RIKXLROQYQSOHV-HDMKZQKVSA-N 319.445 3.751 0 40 DHAB N=C(N)SCc1cccc2c(=O)cc(-c3ccccc3)oc12 3954531 GMHJYNAZNWGOAK-UHFFFAOYSA-N 310.378 3.587 0 40 DHAB in-vitro Cc1cccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c1 4077314 PIZLDRQIIMBLJH-UHFFFAOYSA-N 315.442 3.912 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 5121368 SUEXGGIXNUCBGV-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB C[C@H](Sc1nnc(-c2ccco2)n1N)c1ccccc1Cl 5336023 XDWUXXQCCCUTBN-VIFPVBQESA-N 320.805 3.759 0 40 DHAB O=C(O)/C=C/c1cccc(NC(=O)c2cccc(Cl)c2)c1 5757040 FYYCVJQICNPVEH-BQYQJAHWSA-N 301.729 3.690 0 40 DHAB O=C(COc1cccc2cccnc12)Nc1ccccc1Cl 6127917 QREUWESLZOLMFK-UHFFFAOYSA-N 312.756 3.906 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1SC 6847729 JLZGGPQLLWZRBQ-GFCCVEGCSA-N 301.411 3.908 0 40 DHAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1cccc(F)c1 7788631 MLTOMYQREOVLKW-UHFFFAOYSA-N 316.351 3.568 0 40 DHAB CSc1nccc(CC(=O)c2cccc(C(F)(F)F)c2)n1 8855249 DXWVQCGXUJJIBZ-UHFFFAOYSA-N 312.316 3.643 0 40 DHAB Cc1sc2nc(-c3cccs3)nc(-n3cnnc3)c2c1C 9512805 LESJIDSJKODCPY-UHFFFAOYSA-N 313.411 3.617 0 40 DHAB O=C(CSc1nc(C2CC2)nc2ccccc12)c1ccc[nH]1 12622416 BWZSSTYDBFJFJO-UHFFFAOYSA-N 309.394 3.810 0 40 DHAB C[C@H]1CCCC[C@@H]1NC1=NN=C(c2c(F)cccc2F)CS1 12797725 PKBYSZPJBMUYBC-GWCFXTLKSA-N 323.412 3.940 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N1CCc2sccc2C1 12929181 UJFSAJDNJHEGBH-UHFFFAOYSA-N 321.829 3.674 0 40 DHAB C[C@H]1CCc2c(sc3nc(CCc4ccccc4)[nH]c(=O)c23)C1 13998044 VUNNQMLLRKWWEL-LBPRGKRZSA-N 324.449 3.895 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 14396138 ZHWCQIPBMGRHLL-DZGCQCFKSA-N 309.413 3.820 0 40 DHAB O=C(NCCc1ccco1)c1cc2c(s1)CCCCCC2 17703287 LLHNIVNKLUICBW-UHFFFAOYSA-N 303.427 3.973 0 40 DHAB COCc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 23387322 IOJZGVDZNFQTQR-ZIAGYGMSSA-N 315.335 3.684 0 40 DHAB CCOc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 24069867 IVHLQGLJMVSVKW-UHFFFAOYSA-N 311.428 3.564 0 40 DHAB Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)[nH]c2c1C(=O)CC(C)(C)C2 25594747 PAOOMKRXZLMZHX-VXGBXAGGSA-N 316.445 3.596 0 40 DHAB CC(C)c1n[nH]c(S[C@@H](C)c2nc(-c3cccs3)no2)n1 26036261 BQCIPUAXNMXOIJ-QMMMGPOBSA-N 321.431 3.893 0 40 DHAB CCC[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 27223913 FMJKVIRMWOHOBA-SFHVURJKSA-N 324.424 3.911 0 40 DHAB CCOc1ccc(-c2nonc2NC(=O)C(CC)CC)cc1C 27746530 GJDURTCQDYVZBC-UHFFFAOYSA-N 317.389 3.818 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)Cc1ccccc1 28042833 DNOFBLWIBCQSFW-ZDUSSCGKSA-N 323.845 3.863 0 40 DHAB CN(C(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1 32034468 PKXHGNNCQREASJ-UHFFFAOYSA-N 318.376 3.937 0 40 DHAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C)cc1C 32601937 FCIAZDZVMJIBLR-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB O=C(Nc1cccc(-c2nnco2)c1)N1CC[C@@H]1c1ccccc1 47836986 BAKKRQKTZJLLEO-MRXNPFEDSA-N 320.352 3.716 0 40 DHAB C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 58160752 GWKFRPFDMSUKOX-BEFAXECRSA-N 320.436 3.631 0 40 DHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OC1CCCCCCC1 58412029 LKZIHUFANZFVDT-UHFFFAOYSA-N 324.442 3.668 0 40 DHAB COc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)cc1 59472440 ROLVZEZXBKVLRY-UHFFFAOYSA-N 308.337 3.555 0 40 DHAB Cc1nn(C)c2c1[C@@H](c1cccc3cccnc13)SCC(O)=N2 61720318 XTPUMUCKGSHYNR-MRXNPFEDSA-N 324.409 3.701 0 40 DHAB CCOC(=O)c1cnc2c(F)ccc(F)c2c1N(CC)CC 64874875 ZHMLILCRHQTLKJ-UHFFFAOYSA-N 308.328 3.536 0 40 DHAB CCC(CC)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 69326585 CNIUGXXHJYEMRJ-UHFFFAOYSA-N 304.365 3.576 0 40 DHAB C[C@@H](SCC(=O)NCc1ccccn1)c1ccccc1Cl 69808397 JVHDADOHJXUZKD-GFCCVEGCSA-N 320.845 3.846 0 40 DHAB CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCSCC1 71827046 AKCIIHSRFQLJBK-UHFFFAOYSA-N 316.426 3.654 0 40 DHAB CCOC[C@H]1CCCN(C(=O)NCC[C@H](C)c2ccccc2)C1 71905357 WBDBYFBNMKGTKQ-IRXDYDNUSA-N 318.461 3.638 0 40 DHAB CSC[C@H]1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 76018960 RMQMPRKVUALNPS-AWEZNQCLSA-N 321.490 3.748 0 40 DHAB Cc1ccc([C@H]2CSCCN2C(=O)c2ccnc(Cl)c2)o1 76067520 DDWOMBYURKMDIJ-GFCCVEGCSA-N 322.817 3.567 0 40 DHAB Cc1nc(S(=O)(=O)Cc2c(F)cccc2Cl)sc1C 78810410 ONMRSKNYPFGOLB-UHFFFAOYSA-N 319.810 3.526 0 40 DHAB CC(C)n1ccc2ccc(C(=O)NCCc3ccncc3)cc21 79502231 MAHDZYYXHKJDRL-UHFFFAOYSA-N 307.397 3.590 0 40 DHAB CC[C@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)cc1F 84734132 BJIIIOCIGYJTQY-LRDDRELGSA-N 305.372 3.780 0 40 DHAB CC1CC(COc2ccc(I)cc2)C1 85390803 VJSSVQBIMZBBKY-UHFFFAOYSA-N 302.155 3.716 0 40 DHAB CSc1nnc(CN(C2CC2)[C@H]2CCc3ccccc32)s1 89496663 IBLSBRWYZOBDBE-AWEZNQCLSA-N 317.483 3.912 0 40 DHAB Fc1cc(Br)cc(CSc2nncs2)c1 93954869 QQADNZHEKUZLAB-UHFFFAOYSA-N 305.197 3.732 0 40 DHAB COCCC1(C(=O)Nc2cc(F)c(F)cc2Cl)CCC1 95415327 YAESODVNLKNJHH-UHFFFAOYSA-N 303.736 3.764 0 40 DHAB Cc1noc(C)c1CNC(=O)N(C)[C@@H]1CCCc2ccccc21 95955174 XOULQXHJDYJOFE-QGZVFWFLSA-N 313.401 3.510 0 40 DHAB CCc1c(C)nc2ccccc2c1NC(=O)Cc1c(C)noc1C 97166061 DJBAKTDMGJNWSZ-UHFFFAOYSA-N 323.396 3.892 0 40 DHAB COc1ccc(CCCNC(=O)Cc2ccc(C)c(C)c2)cc1 218804869 MZRKAERPGHYVLI-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223184075 HHMPSUSMXASZDZ-AWEZNQCLSA-N 315.438 3.523 0 40 DHAB CCCCCC(=O)N1CC[C@@H]2[C@@H](CCCCN2CC2CC2)C1 257338046 YVOLPQLQMQPNPE-ZWKOTPCHSA-N 306.494 3.680 0 40 DHAB Cc1cnc([C@@H](C)NCc2cn(C)nc2C2CCCCC2)o1 328771329 GXLDZXFVUQOXOM-CYBMUJFWSA-N 302.422 3.615 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1c(C)cc(C)cc1C 408707453 BGRPOGAKCUUAOI-MRXNPFEDSA-N 318.461 3.883 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCCSCc1ccco1 408925095 LZRDBJVCTNWYQL-BQYQJAHWSA-N 321.829 3.996 0 40 DHAB Cc1ccc(Cl)c(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)c1C 529078153 BVBYKINIPSEYAL-BZNIZROVSA-N 308.809 3.646 0 40 DHAB COc1ccc(C(=O)COc2ccccc2)cc1C(F)(F)F 575242986 QMCWNIVRJDBZTI-UHFFFAOYSA-N 310.271 3.976 0 40 DHAB Cc1ccc2c(c1)C(C)(C)[C@]1(C)N(Cc3ccccc3)C(=O)CN21 88520 MKPBDWUHVCSHSY-NRFANRHFSA-N 320.436 3.851 0 40 DHAB biogenic COc1ccc(C=O)cc1CN1CCCC[C@@H]1c1cccnc1 485488 JFLRQHFNVMTJEA-GOSISDBHSA-N 310.397 3.630 0 40 DHAB biogenic O=C1CCCc2c1nc(-c1ccccc1)n2OCc1ccccc1 492905 GIGVEXUOIRHGIA-UHFFFAOYSA-N 318.376 3.698 0 40 DHAB CCN(CC)Cc1ccc(NC(=O)c2ccccc2OC)cc1 568247 GPINLPGEZNKWIV-UHFFFAOYSA-N 312.413 3.789 0 40 DHAB Cc1ccccc1[C@@](O)(Cc1ccccc1)[C@@H]1CN2CCC1CC2 1259764 FPDWKSDUHWWBCL-YADHBBJMSA-N 321.464 3.767 0 40 DHAB COc1cc2c(cc1O)-c1c(cnn1-c1ccccc1)CCC2 1561011 VTRHVGSKONRGMY-UHFFFAOYSA-N 306.365 3.742 0 40 DHAB COC(=O)c1ccccc1NC(=O)Nc1ccc(SC)cc1 1741772 CCIRPIBUAZZIEK-UHFFFAOYSA-N 316.382 3.839 0 40 DHAB Cc1ccc2cc3c(NC(=O)C4CCCCC4)nn(C)c3nc2c1 2452612 FYNDSNJHGNRBIP-UHFFFAOYSA-N 322.412 3.949 0 40 DHAB COc1ccccc1NC(=O)c1ccc(Br)s1 2764334 PXBYSJQVLCGCGR-UHFFFAOYSA-N 312.188 3.772 0 40 DHAB COc1cccc(NC(=O)CSCc2ccccc2C)c1 3601193 QKRIWUBGWDSFFE-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 3831247 QSLJIVKCVHQPLV-FHIGQFGOSA-N 306.446 3.543 0 40 DHAB O=C(CSc1nccc(-c2ccccc2)n1)Nc1ccccc1 4070276 UZYRPYIJBROECH-UHFFFAOYSA-N 321.405 3.874 0 40 DHAB CCCCC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 4574097 FMYUWFGFHYKRJQ-HNNXBMFYSA-N 313.401 3.980 0 40 DHAB Clc1cccc(Cn2nnc(-c3cccc(Cl)c3)n2)c1 5088472 WSPUAXQIBTUQNZ-UHFFFAOYSA-N 305.168 3.695 0 40 DHAB CCc1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1 5694608 QFVLSRLZFGSLHN-UHFFFAOYSA-N 319.518 3.845 0 40 DHAB [O-][n+]1c2c(n(O)c1-c1ccccc1O)-c1cccc3cccc-2c13 6927175 ULGMFDMMENKXER-UHFFFAOYSA-N 316.316 3.532 0 40 DHAB Cc1cccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C)CC2=O)c1 7929074 NBYIASKLTULOKT-INIZCTEOSA-N 323.392 3.570 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)CCC2CCCC2)c1 8355048 WDAYQPYCHOJYIC-ZDUSSCGKSA-N 305.418 3.851 0 40 DHAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 8959913 CUJQDGUKMGLFFV-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB Cc1ccc(-c2n[nH]cc2CNc2nc3ccccc3n2C)cc1 9261977 YSGQAJORCDGUTI-UHFFFAOYSA-N 317.396 3.884 0 40 DHAB O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1ccno1 10253984 HAERNYDCEMBVKQ-UHFFFAOYSA-N 315.379 3.656 0 40 DHAB COc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 11760587 GCJKKORWQJVICU-ZDUSSCGKSA-N 316.376 3.737 0 40 DHAB O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116108 RDGYFVSJPMVCNV-KRWDZBQOSA-N 323.371 3.608 0 40 DHAB Cc1ccnc(NC(=O)CSCc2ccc(Cl)s2)c1 12554659 QIXBCPLZHKCIHV-UHFFFAOYSA-N 312.847 3.977 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12759309 RBFIAPJTPMAJLH-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB CC(C)c1ccc(CN(c2ncnc3c2cnn3C)C2CC2)cc1 12911812 QCFQZABGAVYSGX-UHFFFAOYSA-N 321.428 3.656 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCc2ccccc21 13007872 DCKWQVFSLOVIME-PXAZEXFGSA-N 315.800 3.911 0 40 DHAB O=C(CCCc1nc2ccccc2s1)Nc1ccccc1O 13018119 ZLWOLVXWOHYVOX-UHFFFAOYSA-N 312.394 3.963 0 40 DHAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)C1CCC1 14396077 IYBYDOQBGYSOBJ-UHFFFAOYSA-N 309.413 3.964 0 40 DHAB CN(C)c1cccc(Oc2ccc(Br)cc2N)c1 14630986 WYDDCUFKEFXPPN-UHFFFAOYSA-N 307.191 3.890 0 40 DHAB CC(C)(C)c1noc([C@H]2CCN(Cc3cccc(F)c3F)C2)n1 19084637 DVIRLVJQLUVQKQ-LBPRGKRZSA-N 321.371 3.635 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1C 20138756 PHMHXRCVCZRKMT-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccn1 20460573 ISGDGJQCRWMSEH-GOSISDBHSA-N 320.392 3.709 0 40 DHAB Cc1cc(C)cc(CSCC(=O)NCc2ccc(F)cc2)c1 20495477 AAVRTXFYDSXWNH-UHFFFAOYSA-N 317.429 3.992 0 40 DHAB CCCc1c(C)nc2ncnn2c1Nc1ccc(OCC)cc1 20595790 FGQXDCZNBGKXEK-UHFFFAOYSA-N 311.389 3.528 0 40 DHAB C[C@H](NC(=O)N(C)Cc1ccc2ccccc2c1)[C@@H]1CCCO1 23143737 QLRPKNHFXBLNQH-KSSFIOAISA-N 312.413 3.549 0 40 DHAB Cc1cc(Nc2ccc(Nc3ccccc3)cc2)n2ncnc2n1 25317250 GJGYXDJWMMFLEX-UHFFFAOYSA-N 316.368 3.920 0 40 DHAB COc1ccc(C)cc1CCNCc1ccccc1OC(F)F 25639009 FMMYUSXDZZHICH-UHFFFAOYSA-N 321.367 3.937 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1F 26686624 FMYYHOIKDMDTLV-URYDZKLTSA-N 305.393 3.788 0 40 DHAB COCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 27872586 YBLDFFJOBIYORD-KBPBESRZSA-N 315.335 3.684 0 40 DHAB CCOc1cccc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1 28303516 XAUKJALGBSIINZ-UHFFFAOYSA-N 321.380 3.832 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 30863703 MCTWUCGDPVQQCN-MRXNPFEDSA-N 323.845 3.911 0 40 DHAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(F)cc1 30872884 DDEKXOWUNIYZHW-UHFFFAOYSA-N 321.779 3.955 0 40 DHAB O=C(c1cccnc1)N1CCC[C@@H]1c1nc2ccccc2s1 31389167 YIZVGJQXGOAWKP-CQSZACIVSA-N 309.394 3.669 0 40 DHAB C[C@H]1CN(Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 32757838 LQLJNYDIYOLDIV-RYUDHWBXSA-N 306.793 3.604 0 40 DHAB O=C(CCCc1cccs1)Nc1cc2ccccc2c(=O)[nH]1 32908235 LLDWFAPKKRYMIK-UHFFFAOYSA-N 312.394 3.551 0 40 DHAB O=C(OCc1ccccc1)N1CCC[C@H](NCc2ccccc2)C1 39952199 YEJYYIHYDOLTNI-IBGZPJMESA-N 324.424 3.577 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2C)o1 40159492 WVKHQYDNTJFWBE-ZDUSSCGKSA-N 321.804 3.976 0 40 DHAB CCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 42645974 KMSQMMBOLCFURR-UHFFFAOYSA-N 317.216 3.628 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1cccnc1 43786188 CEAIVUCGMXLIKS-WFASDCNBSA-N 315.442 3.923 0 40 DHAB CCCc1nc(CSc2nnc3n2CCCCC3)cs1 45522833 CZNOOGKZBIFACH-UHFFFAOYSA-N 308.476 3.706 0 40 DHAB CCCCNc1c(C(=O)OCC)c(=O)[nH]c2cc(Cl)ccc12 49001520 XKSLHPBJTUWEOZ-UHFFFAOYSA-N 322.792 3.570 0 40 DHAB CCC(C)(C)NC(=O)c1ccc(NCc2c(C)noc2C)cc1 55879185 OWEUXXSGHRVKPB-UHFFFAOYSA-N 315.417 3.822 0 40 DHAB O=C(O)COc1ccc(Br)cc1Cc1ccccc1 57352729 CGOPJMURDQXXRO-UHFFFAOYSA-N 321.170 3.503 0 40 DHAB COc1c(C)cnc(CN(C)C(=O)NC2CCCCCC2)c1C 57605509 UWAZARADVBMJLO-UHFFFAOYSA-N 319.449 3.571 0 40 DHAB CCN1CCC(N(C(=O)c2cccc3ccccc23)C2CC2)CC1 58403803 OZAPHIOUWOYNHJ-UHFFFAOYSA-N 322.452 3.929 0 40 DHAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)(C)C 65403062 DMTOYKRZJZGGAG-UHFFFAOYSA-N 322.405 3.698 0 40 DHAB O=C1Oc2ccccc2/C1=C/c1cnc(-c2ccccc2)nc1 70004201 GWCXJTSOQSUPEE-YBEGLDIGSA-N 300.317 3.603 0 40 DHAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1Cc1ccc(F)cc1 71836477 PTQDXIUOPPQAQY-BRWVUGGUSA-N 313.372 3.756 0 40 DHAB CCO[C@@H](C)C(=O)Nc1c(F)cccc1Oc1ccccc1 71884433 VKHNBJSZRVWINA-LBPRGKRZSA-N 303.333 3.982 0 40 DHAB COc1cccc(OC)c1[C@H]1CCCN1C(=O)c1ccccc1 72221428 RKSLUNPJJWUUMI-OAHLLOKOSA-N 311.381 3.681 0 40 DHAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc2ncccc2c1 72221773 JTYZQAOXZWCZKR-UHFFFAOYSA-N 314.385 3.722 0 40 DHAB Cn1cccc1[C@@H]1CCCN1C(=O)CSCc1ccccc1 72273149 FVTKTHVUVKHTQM-KRWDZBQOSA-N 314.454 3.622 0 40 DHAB CN1CCC(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 74921073 ZRTLCHIILFKWHB-UHFFFAOYSA-N 301.217 3.664 0 40 DHAB Cc1c(Cl)cccc1NC(=O)c1nc(C)n2c1CCCC2 78984951 NAEQBDVTKJVQHM-UHFFFAOYSA-N 303.793 3.742 0 40 DHAB C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccncc1 80056580 PXFRBLSTBHAMDW-CQSZACIVSA-N 319.474 3.604 0 40 DHAB Cc1noc(C)c1CNC(=O)N[C@@H](c1cccs1)C(C)C 95955166 MEMWVENQEJBVNI-CQSZACIVSA-N 307.419 3.549 0 40 DHAB C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 97139899 KQNOKGZITAAWRM-CYBMUJFWSA-N 324.380 3.639 0 40 DHAB CC(C)CCCCCCOc1ccc([C@@H]2CC(=O)NC2=O)cc1 100740731 YDHVSMZGODJWBP-KRWDZBQOSA-N 317.429 3.802 0 40 DHAB biogenic Brc1ccc(CNc2ccnc(C3CC3)n2)cc1 110586691 TVGWRSBPRBWUTN-UHFFFAOYSA-N 304.191 3.729 0 40 DHAB CCOC(=O)[C@H](C)c1ccc2ncc(Br)cc2c1 145886237 QAIDRRNYBDYSNI-SECBINFHSA-N 308.175 3.664 0 40 DHAB C[C@H](NC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 193189741 QXZKVFUUDYLDIL-VHSXEESVSA-N 306.353 3.793 0 40 DHAB Cc1nc(C2CC2)ncc1C(=O)N[C@H](C)c1ccc(Cl)cc1 222568223 UPNJFUMZGVFDCT-SNVBAGLBSA-N 315.804 3.807 0 40 DHAB Cc1ccc(SCCNC(=S)Nc2ncccc2C)cc1 225287258 RGVIEWFETMOEGQ-UHFFFAOYSA-N 317.483 3.777 0 40 DHAB COc1cc(C)c(C(=O)NCCCOC(C)C)cc1C(C)C 225660195 BZVXUYUFRSEZNR-UHFFFAOYSA-N 307.434 3.672 0 40 DHAB CC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225882737 AAVFEPGEHXSAMH-SFHVURJKSA-N 316.401 3.776 0 40 DHAB Cc1ccccc1C(=O)Oc1ccc(-c2ccc(F)cc2)nn1 408526973 CXDYUUZFQJXTHW-UHFFFAOYSA-N 308.312 3.810 0 40 DHAB COC(=O)CCCCC(=O)c1cc(C(F)(F)F)ccc1OC 575360577 JGBSQSPBCUBYEJ-UHFFFAOYSA-N 318.291 3.630 0 40 DHAB COC(=O)c1ccc(COc2ccccc2Br)cc1 138241 XGKBGPIFTCAWAZ-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB COc1ccc(C(=O)[C@@H](CN2CCCC2)c2ccccc2)cc1 346094 AUKJZULEGLNIQI-IBGZPJMESA-N 309.409 3.758 0 40 DHAB COc1cc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)ccc1O 818120 UULFMCFEJJAVBH-IBGZPJMESA-N 321.380 3.854 0 40 DHAB CCCCOC(=O)CSc1ncnc2sc(C)c(C)c12 1778586 UVPDNLSPAPDSGJ-UHFFFAOYSA-N 310.444 3.744 0 40 DHAB COc1ccc(C)cc1NC(=O)c1c(Cl)nc2sccn12 3235924 SVGQINIIAHIADX-UHFFFAOYSA-N 321.789 3.619 0 40 DHAB Cc1csc(SCC(=O)Nc2ccc(F)cc2Cl)n1 3413865 PHTIMCNFVZMQEW-UHFFFAOYSA-N 316.810 3.975 0 40 DHAB Cc1ccsc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 3571312 DUOANDFXZLFFGF-UHFFFAOYSA-N 313.378 3.886 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1cc2ccccc2o/c1=N\O 4674691 CZZHVWKAYFPIIV-MNDPQUGUSA-N 314.728 3.628 0 40 DHAB CCCCNC(=O)CSc1nc(CCC)nc2ccccc12 4936543 MNVBWFKNPKNXLH-UHFFFAOYSA-N 317.458 3.591 0 40 DHAB Cc1occc1-c1nnc2sc(-c3ccccc3F)nn12 4938898 KKVOXTYTZSBSMD-UHFFFAOYSA-N 300.318 3.560 0 40 DHAB Cc1nc2ccc(NC(=O)c3cnc4ccccc4n3)cc2s1 5176675 OVIIFQPMXBJQHS-UHFFFAOYSA-N 320.377 3.800 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2cc3ccccc3[nH]2)c(C)c1 5531134 ODZCBJZWRQGECX-UHFFFAOYSA-N 307.349 3.824 0 40 DHAB CC(=O)Nc1ccccc1C(O)(c1ccccc1)c1ccccc1 5539348 QHIKPCHTQCLWHC-UHFFFAOYSA-N 317.388 3.929 0 40 DHAB COc1cc(NC(=O)c2cccc(C)c2)c(Cl)cc1C(=O)O 5815229 YIBHFXSANSLOSE-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB Clc1ccccc1[C@@H]1C[C@@H](c2cccs2)Nc2nnnn21 6947723 QRBVEGDPUGNFJT-RYUDHWBXSA-N 317.805 3.534 0 40 DHAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 6966306 KWMVQCOGXQMDRL-UHFFFAOYSA-N 300.383 3.575 0 40 DHAB Cc1cccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 7424973 AYDXWLSJKRFHOS-KRWDZBQOSA-N 307.397 3.998 0 40 DHAB CCCn1c(NC(=O)COc2cccc(C)c2)nc2ccccc21 7796458 NVBMBWOURUFNIX-UHFFFAOYSA-N 323.396 3.772 0 40 DHAB C[C@@H]1C[C@@H](Sc2nc3ccccc3n2-c2ccccc2)C(=O)O1 8135342 QFUITNJESBWXPH-MLGOLLRUSA-N 324.405 3.822 0 40 DHAB O=C(N[C@@H](c1ccccc1)C1CC1)N1CCc2sccc2C1 9936681 PIYUREINLUZVNW-KRWDZBQOSA-N 312.438 3.967 0 40 DHAB O=C(COc1ccccc1)Nc1ccc2c3c(cccc13)CC2 11002516 GKRIXOSBHQNESR-UHFFFAOYSA-N 303.361 3.956 0 40 DHAB CC(C)CCOc1ccc(CN2C(=O)C(=O)c3ccccc32)cc1 11612339 LLMJCWLBRYOVRQ-UHFFFAOYSA-N 323.392 3.841 0 40 DHAB Cc1ccc2nc(-c3ccc4c(c3)CCN4C(=O)C3CC3)cn2c1 12088183 RXNNRVLSDYSGHB-UHFFFAOYSA-N 317.392 3.609 0 40 DHAB C[C@@H]1C[C@H](OC[C@@H](O)CN(C)C2CCCCC2)CC(C)(C)C1 12169861 SVDPJYRFEFQLLO-NJAFHUGGSA-N 311.510 3.843 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc2c(c1)CCO2 14185574 FXFILQAHELADBD-GDXASINISA-N 307.393 3.854 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 14219022 HJYIDNRYIMJNQP-CQSZACIVSA-N 303.427 3.597 0 40 DHAB O=C1/C(=C/C=C/c2ccccc2)NC(=S)N1C1CCCCC1 15260045 AXCGHCZJFIATHB-SBFJKYRKSA-N 312.438 3.633 0 40 DHAB Cc1nnc2c3ccccc3nc(Nc3ccc(F)cc3F)n12 16363476 YJOUSRBUZVAHKN-UHFFFAOYSA-N 311.295 3.608 0 40 DHAB COc1cc(C=O)ccc1OC(=O)c1oc2ccccc2c1C 16753321 YSMRPBFYHCREQF-UHFFFAOYSA-N 310.305 3.782 0 40 DHAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccs1 17842043 QNFMIZPVHDKTFH-NSHDSACASA-N 314.410 3.588 0 40 DHAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736531 ODZGFFLKOTTZLZ-LBPRGKRZSA-N 318.804 3.945 0 40 DHAB CCOCCCNC(=O)[C@H](CC)Sc1ccc(Cl)cc1 20481948 NECLRESJGZFQEF-AWEZNQCLSA-N 315.866 3.754 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCOc2ccccc21 23646520 XFPWHUQXEQBQQQ-AWEZNQCLSA-N 317.772 3.602 0 40 DHAB Cc1cc(C)c(C(=O)COC(=O)c2cc(Cl)c[nH]2)c(C)c1 25196010 BTTZPIPFUGKVPE-UHFFFAOYSA-N 305.761 3.633 0 40 DHAB CCN1C(=O)CCN=C(c2ccccc2)c2cc(Cl)ccc21 28048344 VTWZLGIMZIHYRR-UHFFFAOYSA-N 312.800 3.934 0 40 DHAB Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccncc3)cs2)o1 31207013 ZXROPHUQSBLLBB-NSHDSACASA-N 313.382 3.598 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)C[C@H]2C=CCC2)cc1OC 32830849 VZLCIFKCKHQSTB-KGLIPLIRSA-N 303.402 3.627 0 40 DHAB CCOc1cccc2sc(NCCn3nc(C)cc3C)nc12 34936081 LOQRUFXIBXCPSL-UHFFFAOYSA-N 316.430 3.620 0 40 DHAB OC1CCC(NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 48367968 JGPZPHUYETUESX-UHFFFAOYSA-N 305.805 3.993 0 40 DHAB CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 49239737 ATMBIAXSGGUSCM-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB Cn1cc(Nc2nc(-c3cccs3)nc3ccccc23)cn1 52487406 GKLBVDXKQNCHFC-UHFFFAOYSA-N 307.382 3.835 0 40 DHAB CCONC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 53720205 MQTJYUVLPQBHSH-UHFFFAOYSA-N 320.392 3.820 0 40 DHAB Cc1ccc(NC(=O)CC(F)(F)F)c(-c2nc(C3CC3)n[nH]2)c1 58247633 PSKGAORRKLLPBL-UHFFFAOYSA-N 324.306 3.548 0 40 DHAB CC1(C)COCCN1C(=O)c1sc2ccccc2c1Cl 59934518 QATKMSPYBQDCIY-UHFFFAOYSA-N 309.818 3.806 0 40 DHAB CCc1ccsc1C(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 59982686 XVVRGHJYPHQIEL-KBPBESRZSA-N 322.518 3.797 0 40 DHAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccccn1 65608740 ZCAOTESNVIVLEY-HNNXBMFYSA-N 309.413 3.592 0 40 DHAB O=C(CCc1cscn1)N(Cc1ccccc1)CC1CCC1 69736872 POBVOLNEQOVXMI-UHFFFAOYSA-N 314.454 3.905 0 40 DHAB CC(C)Cc1nnc2sc(-c3ccc4ncccc4c3)nn12 71287091 QMHDDDKGVKOLNH-UHFFFAOYSA-N 309.398 3.600 0 40 DHAB CC(C)c1csc([C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)n1 72297270 PWSDRRNDCXJIIH-KBPBESRZSA-N 322.474 3.542 0 40 DHAB Cc1oc(C2CC2)cc1C(=O)N1CCC(c2ccncc2)CC1 72346602 YHPNKQVHBSFABM-UHFFFAOYSA-N 310.397 3.880 0 40 DHAB COc1ccc(-c2ccc([C@H](C)C(=O)O)cc2F)cc1OC 77291929 LOLOPVAXJOQCPF-JTQLQIEISA-N 304.317 3.698 0 40 DHAB in-vitro C[C@H](Oc1ccccc1NC(=O)Cn1cccn1)c1ccccc1 79360302 CJBRHCDHHJKWKZ-HNNXBMFYSA-N 321.380 3.662 0 40 DHAB O=C(NC[C@H](O)c1cccs1)c1c(Cl)cccc1Cl 89768015 CEVLLVSINUHPEB-JTQLQIEISA-N 316.209 3.518 0 40 DHAB COc1cccc(C2(NCc3cccc(-n4cccn4)c3)CC2)c1 95415563 NDBBANLRGWXNLH-UHFFFAOYSA-N 319.408 3.660 0 40 DHAB COc1cccc2cc([C@H](C)N[C@@H](C)C3CCOCC3)oc12 95419647 SJUDFDRNBYVODX-STQMWFEESA-N 303.402 3.907 0 40 DHAB C[C@@H](CCO)C1(CNC(=O)c2csc3ccccc23)CCC1 95463254 UAFVTPNZAPHISI-ZDUSSCGKSA-N 317.454 3.820 0 40 DHAB COc1ccc(-c2nn3c(-c4ccccn4)ccnc3c2C)cc1 95479514 PMFNAQTWIXLSKB-UHFFFAOYSA-N 316.364 3.775 0 40 DHAB Brc1cncc(N2CCC[C@H](c3nccs3)C2)c1 95994692 MLZZSTZXHQOEOE-JTQLQIEISA-N 324.247 3.685 0 40 DHAB Cc1c(CNC(=O)N[C@H](C)c2nccs2)oc2ccccc12 96406866 KKACRNGJXRGTCH-LLVKDONJSA-N 315.398 3.758 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3CCC[C@@](C)(CO)C3)s2)o1 97081744 WHYTVOQNQITLSD-QGZVFWFLSA-N 319.426 3.551 0 40 DHAB CC1=C(C(=O)OC2CCCC2)[C@@H]2C[C@@](C)(N1)Oc1ccccc12 102472284 LRKDSMJHEAETSV-BEFAXECRSA-N 313.397 3.632 0 40 DHAB COc1cc(NC(=O)N[C@H](C)c2ccccn2)ccc1Cl 194416417 PXJYLHHRKYMDBK-SNVBAGLBSA-N 305.765 3.626 0 40 DHAB CCN(c1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 224707589 LSFUJEHVQVOOBG-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB CCc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 225042645 BKPCLRCJWHWFKY-MRXNPFEDSA-N 304.773 3.977 0 40 DHAB CC(C)CNC(=O)c1ccccc1NC(=O)NC1CCCCC1 225754961 DNDKBCUGEHRQCS-UHFFFAOYSA-N 317.433 3.527 0 40 DHAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)C(C)(C)C)c1 226351886 UDNFZOGUISPSTP-UHFFFAOYSA-N 317.341 3.638 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@@H]1c1cnccn1 257248326 JDDHOZHALVDDNC-CQSZACIVSA-N 309.394 3.669 0 40 DHAB CCOC1(C(=O)N(C)c2ccc(OC(C)C)cc2)CCCC1 585081183 LOAGZNLEUPSROV-UHFFFAOYSA-N 305.418 3.786 0 40 DHAB COc1ccc(-c2oc3ccc(C(C)=O)cc3c2CC(=O)O)cc1 1547139280 XCSRMKLEKMWRNW-UHFFFAOYSA-N 324.332 3.938 0 40 DHAB biogenic Cc1cnccc1CNc1ccc(-n2nnc3ccccc32)cc1 1560597881 DZHAXYNEIMEKEH-UHFFFAOYSA-N 315.380 3.736 0 40 DHAB COc1cc(OC)c(C(=O)Oc2ccc(C)cc2C)cc1OC 365399 DRLDHGNOXFWWDV-UHFFFAOYSA-N 316.353 3.548 0 40 DHAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1cccc(C(F)(F)F)c1 387133 OFAAQNBZBCYXBJ-QWRGUYRKSA-N 321.364 3.657 0 40 DHAB CC(=O)Nc1ccc(Cc2ccc(C)c(NC(C)=O)c2)cc1C 484544 HHGFROBWTWAYGW-UHFFFAOYSA-N 310.397 3.811 0 40 DHAB Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2C)c1 523649 NTAFZQQBIJJEDZ-UHFFFAOYSA-N 310.426 3.786 0 40 DHAB COc1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1 986703 WPYQSWJQFVTONZ-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB COC(=O)CSc1nc(C2CCCCC2)nc2ccccc12 1376430 XITCYMXZNYCRIK-UHFFFAOYSA-N 316.426 3.943 0 40 DHAB CCOC(=O)[C@@H]1CCC[C@H](Oc2ccc(Cl)cc2Cl)O1 1678149 DOLCNRFPZKTJLD-QWHCGFSZSA-N 319.184 3.831 0 40 DHAB CSc1cccc(N2CCc3c(C)nc(SC)nc32)c1 4052031 UPQJYBVBHXLNGM-UHFFFAOYSA-N 303.456 3.923 0 40 DHAB COc1cccc(NC(=O)CSc2c[nH]c3ccccc23)c1 4265662 JRSBMUWHGBISID-UHFFFAOYSA-N 312.394 3.907 0 40 DHAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 4910398 CKDIUJITZVJABZ-CQSZACIVSA-N 311.381 3.803 0 40 DHAB Cc1ccc(CSc2nnnn2-c2ccc(C)cc2C)cc1 5414117 UZTJNELPMRCBFP-UHFFFAOYSA-N 310.426 3.880 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2)cc1 5896081 PPOVBHVBWIHRAW-UHFFFAOYSA-N 300.383 3.591 0 40 DHAB C[C@@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 6007644 SVAGUECYRSHNGL-GFCCVEGCSA-N 316.426 3.771 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1 6362080 UBAPTNSODGETIX-UHFFFAOYSA-N 319.426 3.757 0 40 DHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)s1 7409056 ADAWXBZUJJSRLA-UHFFFAOYSA-N 301.820 3.819 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)noc1C 7525920 NDFVCTJBCAPUOF-UHFFFAOYSA-N 322.792 3.833 0 40 DHAB O=C1NC(=O)/C(=C\c2ccc3noc(-c4ccccc4)c3c2)S1 7616097 DDNDABHHWFQPBA-NTEUORMPSA-N 322.345 3.819 0 40 DHAB COCc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 7735557 GDLNEYRUTVTKBV-UHFFFAOYSA-N 304.415 3.839 0 40 DHAB CCc1nccn1S(=O)(=O)c1ccc(C2CCCCC2)cc1 8048493 SXWQTAKEWAZRQM-UHFFFAOYSA-N 318.442 3.730 0 40 DHAB C[C@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)N1CCCC1 8326901 YDUKZQSAZPMUAY-ZDUSSCGKSA-N 308.381 3.711 0 40 DHAB Cc1cc(C(F)(F)F)nc2nc(NC(=O)C3CCC3)ccc12 12113583 SJZGRMZBBFOKGM-UHFFFAOYSA-N 309.291 3.696 0 40 DHAB Cn1ccnc1SCC(=O)Nc1ccccc1-c1ccccc1 12546598 LJQKTAOIRCEAIW-UHFFFAOYSA-N 323.421 3.818 0 40 DHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)c(F)c1 12606958 AQIQUBDOGOJWAK-LLVKDONJSA-N 316.351 3.893 0 40 DHAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1Cl 12754200 XHEQAGSFYZBBJC-GFCCVEGCSA-N 322.861 3.538 0 40 DHAB CCOc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1OC 12754815 QKWFZAUGUXQMBE-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB CCOc1ccc(NC(=O)c2cccc3cccnc23)cc1OC 13000967 UCHDQPLHIRUHCX-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB Cc1ccc(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)c(C)c1 13249857 DFSMDFYPFAGFTK-LJQANCHMSA-N 311.381 3.675 0 40 DHAB COc1ccc2[nH]c3c(N4C[C@@H](C)C[C@@H](C)C4)ncnc3c2c1 13688218 CJQVWANMGNGFPE-TXEJJXNPSA-N 310.401 3.602 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1 15028473 QKBUPHBCPQSTDO-LBPRGKRZSA-N 319.401 3.631 0 40 DHAB OCCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 15961273 MSEPOAQUAHTDKX-HNENSFHCSA-N 310.422 3.831 0 40 DHAB CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(C)C 17113365 YWORHIMMPZULFK-KRWDZBQOSA-N 301.430 3.698 0 40 DHAB Cc1[nH]c2ccc(F)cc2c1-c1cn2c3c(nnc2n1)CCCC3 19581464 AXSRHENACAFOEG-UHFFFAOYSA-N 321.359 3.599 0 40 DHAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(F)c1 23230042 ZXCIMALNJVBEGN-QGZVFWFLSA-N 319.401 3.524 0 40 DHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(C)CC1 25532089 FRPQEYYWALWFFC-UHFFFAOYSA-N 322.474 3.913 0 40 DHAB CSc1ccccc1C(=O)NC[C@@H](c1cccs1)N(C)C 25777981 FURXOGADYLAVMC-ZDUSSCGKSA-N 320.483 3.503 0 40 DHAB COc1ccc([C@H]2CCCN2c2cnc3ccccc3n2)cc1 26136077 XTTOSUROBXSIKV-GOSISDBHSA-N 305.381 3.980 0 40 DHAB O=C(NCc1ccccc1)c1ccccc1OCc1ccncc1 32034205 LNSULXVFRIOLHT-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 33313880 IQMJAMDNQUEOBY-AWEZNQCLSA-N 301.365 3.621 0 40 DHAB FC(F)(F)c1ccc2nc([C@H]3CCN(CC4CC4)C3)[nH]c2c1 35446725 FJWWPFHGZVHHJL-NSHDSACASA-N 309.335 3.781 0 40 DHAB biogenic,in-vitro c1cnc2c(CSc3nnc4n3CCCCC4)cccc2c1 54154583 RTSBWCVFAUCOFP-UHFFFAOYSA-N 310.426 3.845 0 40 DHAB CC(=O)c1cccc(NC(=O)N(Cc2cccc(O)c2)C2CC2)c1 58193310 UGZSNBGGMFGXPY-UHFFFAOYSA-N 324.380 3.791 0 40 DHAB O=c1[nH]c2ccccc2nc1SCc1ccc2ccccc2n1 71196116 YXRUVAKBCMPZNJ-UHFFFAOYSA-N 319.389 3.764 0 40 DHAB Cc1c(C[S@](C)=O)cccc1NC(=O)CCC1CCCC1 71909698 OXGUUXKXOJQWJW-OAQYLSRUSA-N 307.459 3.782 0 40 DHAB CC(C)CCC(=O)Nc1ccccc1CN1CCSCC1 72048882 QUMVVLXKSYOIOX-UHFFFAOYSA-N 306.475 3.610 0 40 DHAB CO[C@]1(C)C[C@H](N(C)C(=O)c2cc3ccccc3o2)C1(C)C 72304562 MEAWEWPLQRSVCF-MAUKXSAKSA-N 301.386 3.708 0 40 DHAB Nc1ccc(-c2nnc(-c3ccc(N)c(Cl)c3)o2)cc1Cl 73634481 NLRMGYHBMIVXLF-UHFFFAOYSA-N 321.167 3.875 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cc1 79361080 HKAFAIPRCKGYPN-NRFANRHFSA-N 321.829 3.779 0 40 DHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CC[C@H](c2ccccc2)C1 84525512 XXNWHIRSFGRPSO-IPMKNSEASA-N 306.409 3.742 0 40 DHAB CCS[C@@H]1CC[C@H](N(C)C[C@H](O)c2ccc(Cl)cc2)C1 95983580 YFYKQIQQWSWSKV-XHSDSOJGSA-N 313.894 3.979 0 40 DHAB O=C1CC[C@@H]2[C@@H](CCN2Cc2cccs2)N1c1ccccc1 96056613 WANQPJFLRCYFPZ-IAGOWNOFSA-N 312.438 3.518 0 40 DHAB CCOc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2)cc1C 96659160 JPRFVBUKTFKDSD-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB Cc1cccnc1CNc1ccc(NC(=O)OC(C)(C)C)nc1 97082175 ZLWNBOREJYINAB-UHFFFAOYSA-N 314.389 3.744 0 40 DHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100100036 CWSNMGQUGUMPII-PHNROFDPSA-N 309.409 3.912 0 40 DHAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)c1ccccc1Cl 107504621 QFVBRDJUFGIEAY-SUYBPPKGSA-N 308.853 3.638 0 40 DHAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118917819 SLGYIGUMKJYZLP-DIFBKIQNSA-N 318.457 3.528 0 40 DHAB CC(C)O[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140385 FEVBOJRKVOBXOP-KRWDZBQOSA-N 300.354 3.900 0 40 DHAB COc1ccccc1CCCNC(=O)c1cc(C)c(C)cc1C 225649042 YYYBMJBYRSZZOI-UHFFFAOYSA-N 311.425 3.983 0 40 DHAB Cc1cn(C)c([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1 257210993 BXAMKAIQOGAYRC-SFHVURJKSA-N 306.413 3.614 0 40 DHAB c1ccc(-c2ncc(-c3ccncc3)c([C@@H]3CCCNC3)n2)cc1 257329681 XKZQCCSTLPSKMK-QGZVFWFLSA-N 316.408 3.673 0 40 DHAB CCn1cc(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 408713288 ROIQESVICYGAHF-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB COC(=O)c1ccc(-c2cc(C=O)c(O)c(C(C)(C)C)c2)cc1 514267335 FDMSWCLTITVCTD-UHFFFAOYSA-N 312.365 3.956 0 40 DHAB Cc1nc(NCc2ccc(F)cc2F)cc(C(F)(F)F)n1 520152625 PAKJFCHJRVIQLR-UHFFFAOYSA-N 303.234 3.694 0 40 DHAB Cn1c([C@H]2CCCCN2Cc2ccncc2)nc2ccccc21 534343098 VQEPOXMWFINFDB-GOSISDBHSA-N 306.413 3.696 0 40 DHAB CCOC(=O)CCCC(=O)c1cc(C(F)(F)F)ccc1OC 575361295 WXKJMPVNGYDPBC-UHFFFAOYSA-N 318.291 3.630 0 40 DHAB CC(C)(C)OC(=O)n1cc(C2(C(=O)O)CC2)c2ccccc21 575629391 VACBAVUOHCVIDI-UHFFFAOYSA-N 301.342 3.541 0 40 DHAB CCOC(=O)c1coc(Cc2c(Cl)cccc2Cl)n1 585656364 LDSKJIUWYRXLFZ-UHFFFAOYSA-N 300.141 3.749 0 40 DHAB Cc1cccc(C(=O)n2c(=S)nc3ccc(Cl)cn32)c1 54403 NDWKKMPXJWEGNT-UHFFFAOYSA-N 303.774 3.516 0 40 DHAB O=C(COc1ccc2ccccc2c1)OCC(=O)c1ccccc1 243210 HYQZDRRRQKUHRJ-UHFFFAOYSA-N 320.344 3.645 0 40 DHAB CN1CCC(=C2c3ccccc3C[C@H](O)c3sccc32)CC1 347409 TZHJFZBFWVCFAA-KRWDZBQOSA-N 311.450 3.865 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1Cc1ccccc1 384390 JJHVWYUFGKMROZ-LJQANCHMSA-N 315.376 3.848 0 40 DHAB CCOC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 417664 XJQZEMIFMKIHAQ-UHFFFAOYSA-N 320.414 3.689 0 40 DHAB CCOC(=O)[C@H]1CCC[C@H](Oc2ccc(Cl)cc2Cl)O1 1678148 DOLCNRFPZKTJLD-CHWSQXEVSA-N 319.184 3.831 0 40 DHAB CCCC[S@](=O)[C@H]1CCCC[C@@H]1OC(=O)c1ccccc1 2176752 MJWQPVCTXDHHDO-CKJXQJPGSA-N 308.443 3.703 0 40 DHAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 2646476 DKBLHVKLAXEBMK-GUYCJALGSA-N 303.427 3.697 0 40 DHAB Cc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 3504453 QBHRBVVAYOFIHG-KRWDZBQOSA-N 312.413 3.545 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 3893545 UCCZEJKEPKONPP-SVIJTADQSA-N 311.425 3.750 0 40 DHAB O=C1O[C@](c2ccc(O)cc2)(c2ccccc2O)c2ccccc21 4683134 OVELHKBTRXSQMT-FQEVSTJZSA-N 318.328 3.560 0 40 DHAB CC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cccc(C)c1C 4934281 RQBCWBNSCAEICK-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C)C 5906046 ZIDYUVBSMSHRKF-UHFFFAOYSA-N 321.373 3.935 0 40 DHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2ccccc12 6345313 AXKWDEJAVZMITR-UHFFFAOYSA-N 319.360 3.792 0 40 DHAB O=C(Cc1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 6529379 WQAFWDMGMXGPAF-UHFFFAOYSA-N 314.694 3.935 0 40 DHAB O=C(NCCCc1ccccc1)c1ccc(N2CCCC2)cc1 7383541 WGELIYDRPWQBQH-UHFFFAOYSA-N 308.425 3.649 0 40 DHAB O=S(=O)(Nc1cccc2cccnc12)c1cccc(Cl)c1 7709438 BHTGUSSNNDOWJK-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB CCc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 7709488 TVRPLRKECBGJGF-UHFFFAOYSA-N 312.394 3.598 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2cccs2)c(C)c1 8746130 UTSXCLHMMUATID-CQSZACIVSA-N 302.443 3.996 0 40 DHAB Cc1occc1-c1nnc(SCc2nccn2C(F)F)o1 8778771 CQVQJBZJIPCOHV-UHFFFAOYSA-N 312.301 3.522 0 40 DHAB CC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2C)nc1-c1ccccc1 8852509 CFYRWCDKEXWUSO-BXKDBHETSA-N 300.383 3.607 0 40 DHAB O=C1CC2(CCCC2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9448667 NDUDWYSTSKJKBY-UHFFFAOYSA-N 312.196 3.813 0 40 DHAB Cc1nnc(NC(=O)Cc2coc3ccc4ccccc4c23)s1 9478814 PJOMLXNOZWQMOB-UHFFFAOYSA-N 323.377 3.927 0 40 DHAB CC(C)CN1C(=O)S[C@H](Nc2ccc(F)c(Cl)c2)C1=O 10152113 CGEYWOMNRSWZPK-NSHDSACASA-N 316.785 3.569 0 40 DHAB COc1ccc([C@@H]2CCCN2Cc2nc3ccccc3[nH]2)cc1 12579187 XDAPXNMBOFKYCF-SFHVURJKSA-N 307.397 3.909 0 40 DHAB C[C@@H](NCc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1 12780891 HPRFYOIQYWPYLT-SNVBAGLBSA-N 303.749 3.834 0 40 DHAB CCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 12793116 OJSYIMSUUQJVHI-UHFFFAOYSA-N 308.381 3.539 0 40 DHAB Cc1ccc(Oc2ncc(CN3C[C@H](C)O[C@H](C)C3)s2)cc1 12954878 JOIJKJHWKVKTQP-OKILXGFUSA-N 318.442 3.853 0 40 DHAB COc1ccc2c(CC(=O)N[C@@H](C)CCC(C)C)coc2c1 13140822 ZBHUBJKZVLUEKZ-ZDUSSCGKSA-N 303.402 3.925 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1 13187121 CARYTDZSNIFOPF-UHFFFAOYSA-N 303.745 3.853 0 40 DHAB CC(C)c1ccc2[nH]c(=O)c(CNc3cc(O)ccc3O)cc2c1 13561621 RMMZGTHSZCWVCL-UHFFFAOYSA-N 324.380 3.675 0 40 DHAB Cc1cc(OCC(=O)Nc2cccc(N)c2)cc(C)c1Cl 19736821 SLJCRQXIWAYTIK-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CCCc1cc(=O)[nH]c(Nc2nc(-c3ccccc3)cs2)n1 19819606 PHWQCUZXLDCICO-UHFFFAOYSA-N 312.398 3.590 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1ccc(N)cc1Cl 20220977 RSJNPLMRDCXYFM-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB O=C(NC1CC1)c1ccc(OCCSc2ccccc2)cc1 20456171 MWBSOQIGUOKMHZ-UHFFFAOYSA-N 313.422 3.750 0 40 DHAB Cc1ccc(OCCCC(=O)NCc2ccc(F)cc2)cc1 20459569 GVKCWNRQIIKYTN-UHFFFAOYSA-N 301.361 3.610 0 40 DHAB Cc1noc(C)c1CSCC(=O)NC1CCCCCCC1 23040040 XOUNTBXVSISPMU-UHFFFAOYSA-N 310.463 3.754 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CNc2cccc(F)c2)cc1C 24214214 OLEDLRGDQSHBDT-AWEZNQCLSA-N 300.377 3.732 0 40 DHAB COc1ccc2nc(C)c(C(=O)Nc3cccc(C)n3)cc2c1 29701366 WVLNGMCUVCQGHJ-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nccs1 31663891 QRAZVEXMLJZNBY-ZETCQYMHSA-N 317.197 3.856 0 40 DHAB Cc1ccccc1-c1nnc(SCc2cscn2)n1C 32745292 MRHMXTXYWUFRBO-UHFFFAOYSA-N 302.428 3.539 0 40 DHAB CCc1ccc(CN(C)C(=O)NCCc2cccs2)cc1 32843807 OJHOUWZKBWXGRA-UHFFFAOYSA-N 302.443 3.695 0 40 DHAB CCC(CC)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 32909434 USLUIPDPRYTBDW-QGZVFWFLSA-N 320.433 3.643 0 40 DHAB Cc1ccc(-c2nc(C(=O)NCc3cccs3)cs2)o1 33152948 JQEARSZVGNBVGN-UHFFFAOYSA-N 304.396 3.703 0 40 DHAB CC(C)c1nc2sc3c(c2c2nnc(S)n12)CC[C@@H](C)C3 35312166 AUQFTNDXIDOZGG-MRVPVSSYSA-N 318.471 3.876 0 40 DHAB CC[C@@H]1CCCCN1S(=O)(=O)c1cccc2ccccc12 35685887 GFELUIXUIYGAGH-OAHLLOKOSA-N 303.427 3.793 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@H]21 40489606 BMGHSUVUWJEGGK-WMLDXEAASA-N 311.429 3.677 0 40 DHAB COc1ccc(CC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 49764303 PLGDNSFLNFZUGD-IBGZPJMESA-N 324.424 3.777 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)c(C)c2)cc1 51354306 GIOJOZUVJQCQBM-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccncc1 53509413 GPIXOVBTTYFGNI-UHFFFAOYSA-N 305.381 3.576 0 40 DHAB O=Cc1c(Cl)nc(N2CCCCC2)n1-c1ccc(Cl)cc1 58177670 RUIBSMVTXYUYBJ-UHFFFAOYSA-N 324.211 3.982 0 40 DHAB Cc1ccc2[nH]cc(-c3cc(C(=O)N4CCCC4)ccn3)c2c1 67459253 FJHKMICMUBFRJS-UHFFFAOYSA-N 305.381 3.774 0 40 DHAB CCCC[C@H](CC)C(=O)N1CCC(Nc2cccnc2)CC1 69896420 OTQJJSPJUOCKLF-HNNXBMFYSA-N 303.450 3.701 0 40 DHAB COc1ccccc1Oc1ccc(C(=O)NCc2ccco2)o1 72265311 SGWZYGNICNXGGY-UHFFFAOYSA-N 313.309 3.604 0 40 DHAB c1ccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 72389970 BAHMSNANCGOBEL-QGZVFWFLSA-N 320.396 3.511 0 40 DHAB CCOC(=O)c1c(C(F)(F)F)nc2ccc(Cl)cc2c1O 72414076 HCSUKDSCZIENQX-UHFFFAOYSA-N 319.666 3.789 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2ccsc2)CC1 75157116 ADIGZCKKPFDAJH-CQSZACIVSA-N 315.438 3.922 0 40 DHAB O=C(NCC[C@H](O)c1cccs1)c1cccc2ccccc12 77113661 MJWOLIHMCISZGK-INIZCTEOSA-N 311.406 3.755 0 40 DHAB O=C(c1cscn1)N1CCCSc2ccc(Cl)cc21 79721456 MVWZALHUJIWNSC-UHFFFAOYSA-N 310.831 3.939 0 40 DHAB Cc1cc(N[C@@H](C)c2ccc3ccccc3c2)n2ncnc2n1 84109963 ZKXUDJCIXZNIQS-ZDUSSCGKSA-N 303.369 3.759 0 40 DHAB CC[C@H](N[C@@H](C)c1ccc(OC)cc1F)c1c(C)nn(C)c1C 95968714 MGTYKPHEBLNZGX-GTNSWQLSSA-N 319.424 3.987 0 40 DHAB O=C(Nc1nncs1)NC(c1cccs1)c1cccs1 96415121 QWFZCFDVGCLMLS-UHFFFAOYSA-N 322.440 3.572 0 40 DHAB Cc1ccc2cccc(C(=O)N(C)Cc3cccc(O)c3)c2n1 96421670 HLZOHFIGXUAUNQ-UHFFFAOYSA-N 306.365 3.521 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(F)cc1C2 98214098 SJACPBSQJZSNDH-UHFFFAOYSA-N 320.408 3.811 0 40 DHAB C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 103305104 BLJYNIAWZKUEJS-NWDGAFQWSA-N 314.351 3.764 0 40 DHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)C[C@H](C)c2ccccc2)C1 106088386 NYEWLKFVPFIXQH-KSZLIROESA-N 316.489 3.664 0 40 DHAB CCc1cccc(N(C(=O)c2cnccn2)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106918773 JQGJHMJAGGNMOU-TXPKVOOTSA-N 321.424 3.874 0 40 DHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113950710 TWZNQAAHFWEOAF-MPTQWLOMSA-N 307.821 3.802 0 40 DHAB O=C(Nc1cccc(F)c1)c1cc(-c2ccc(F)cc2)on1 123024021 OOEIQCZDBROCHU-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C 170387708 YQKZEGUAPCNVOS-UKRRQHHQSA-N 316.445 3.618 0 40 DHAB C[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@H](c2ccco2)C1 173253317 AQBMYWVQNNBJBP-NEPJUHHUSA-N 311.428 3.503 0 40 DHAB O=C(Cc1cccc(Cl)c1)NCCSCc1ccccc1 222599874 KHWIBYANCANPEW-UHFFFAOYSA-N 319.857 3.932 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCC1 223272511 CCHZQRUHIKTJPE-AWEZNQCLSA-N 301.430 3.782 0 40 DHAB CC[C@H](NC(=S)Nc1ccncc1)c1ccc(OC)cc1 225491220 IKANASRMQPWSPA-HNNXBMFYSA-N 301.415 3.528 0 40 DHAB CCCOc1ncc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225889888 RUEPZLZRILQSHT-FZKQIMNGSA-N 320.433 3.713 0 40 DHAB CN(Cc1cccn1C)C(=O)c1ccc2nc(Cl)sc2c1 225985035 VNBXZIVUBQHNFF-UHFFFAOYSA-N 319.817 3.560 0 40 DHAB CC(C)Oc1nn(C)c2ccc(NC(=O)c3ccccc3)cc12 227164649 YNGFPAWUVAWDNT-UHFFFAOYSA-N 309.369 3.613 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 251026724 WRMMKKLGHXNWQL-LUKYLMHMSA-N 301.430 3.684 0 40 DHAB Cc1[nH]nc(C(F)F)c1NC(=O)C[C@H]1CCc2ccccc2C1 272508272 WYENUBUUPITKMI-NSHDSACASA-N 319.355 3.789 0 40 DHAB CCC1=N/C(=C\c2c(C)nn(-c3ccc(C)cc3)c2C)C(=O)O1 408994765 IRAOGRKRUIJCSA-YBEGLDIGSA-N 309.369 3.504 0 40 DHAB CCC[S@](=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 136332 CTBLQHQQPHGAEP-HXUWFJFHSA-N 321.467 3.955 0 40 DHAB CCc1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 811570 CAXNAVIMVQZVKY-UHFFFAOYSA-N 302.186 3.660 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 894482 GOTLUTQWWMFAIC-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB Cc1ccc(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)cn1 46396906 URMXDZYKZKHVRZ-UHFFFAOYSA-N 324.424 3.690 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(C)cs2)c1 3109876 DCRDQMSNWVWQTL-UHFFFAOYSA-N 304.415 3.901 0 40 DHAB Cc1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)c(C)c1 6371157 DKSHFWFVLSOWQV-UHFFFAOYSA-N 314.772 3.962 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](O)c1ccccc1 6416468 SRJZGAYISXWETC-IAQYHMDHSA-N 304.777 3.584 0 40 DHAB CCOc1cc(Cl)ccc1C(=O)Nc1cccc(C(=O)O)c1 8187652 DLFSGRINTIQFGG-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)Nc1ccc2c(c1)OCO2 32924010 MJCLNNSXZAALHM-UHFFFAOYSA-N 304.371 3.556 0 40 DHAB C[C@@H](Sc1nnc(-c2cccs2)n1N)c1ccc(F)cc1 8939772 ZXGSQHQNKPMKTL-SECBINFHSA-N 320.418 3.713 0 40 DHAB CCCOc1ccccc1C(=O)Nc1onc2c1C[C@@H](C)CC2 12062457 MFTKTMHNPIBGHZ-LBPRGKRZSA-N 314.385 3.841 0 40 DHAB O=C1Oc2ccccc2/C1=C/c1cc(Cl)c2c(c1)OCO2 61190290 MHYQIJUWRUKQMJ-WZUFQYTHSA-N 300.697 3.528 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@H](C)C1 12552805 OSMFGEXFFFJHDF-LBPRGKRZSA-N 315.392 3.500 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)Cc1cccnc1 57030147 UBYDYUQKTSEIFJ-KRWDZBQOSA-N 324.424 3.559 0 40 DHAB Clc1cccc(N2CCN(c3ncnc4ccccc34)CC2)c1 12552752 WUUMRAVPSOGQCP-UHFFFAOYSA-N 324.815 3.610 0 40 DHAB CC[C@H](C)[C@@H](NCc1ccc(Cl)c(Cl)c1)C(=O)OC 57901111 RCORSZWEMPLIFI-TVQRCGJNSA-N 304.217 3.671 0 40 DHAB CCCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 2090817 ZZFBSARHXJEMGO-UHFFFAOYSA-N 322.408 3.929 0 40 DHAB biogenic Cc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccccc1 21005778 IEWWPVSYAZDCLB-MRXNPFEDSA-N 303.365 3.790 0 40 DHAB Cc1csc(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 69570683 SXJDBQSPGSMDGW-UHFFFAOYSA-N 322.380 3.750 0 40 DHAB O=C(COC(=O)c1cccc2ccccc12)Nc1cccc(F)c1 3438317 VUKILQCZVPIKSH-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1 3413767 AYNIMJPPZBZRFA-QMMMGPOBSA-N 313.835 3.619 0 40 DHAB COc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Cl 3421420 UKDGACFORWPTHX-UHFFFAOYSA-N 304.777 3.667 0 40 DHAB Cc1sc2ncnc(Sc3ncccc3C(=O)O)c2c1C 13090373 WSLFMPYIXDFGBD-UHFFFAOYSA-N 317.395 3.553 0 40 DHAB O=C(NCC1CC1)c1cn(-c2ccccc2)nc1-c1ccccc1 13003591 XXAFNPQJEWCKFP-UHFFFAOYSA-N 317.392 3.679 0 40 DHAB Clc1cc2c(c(CSCc3nnc(C4CC4)o3)c1)OCC2 96009508 QXDIQISOUBCPGL-UHFFFAOYSA-N 322.817 3.969 0 40 DHAB COc1c(Cl)cc(NC(=O)N2CCSCC2)cc1Cl 69918790 KRVHXAKUCPDYDJ-UHFFFAOYSA-N 321.229 3.583 0 40 DHAB Cc1cc([C@@H]2NC(=O)c3ccccc3N2)c(C)n1Cc1ccco1 8703991 DDCFVDNXBDKSBR-SFHVURJKSA-N 321.380 3.600 0 40 DHAB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)c2ccccc21 409115264 IDGVJNMKSXJRCM-QINSGFPZSA-N 309.365 3.611 0 40 DHAB O=C(COC(=O)c1ccco1)c1ccc2c(c1)-c1ccccc1C2 8726239 AXNWXFUSBFKNRL-UHFFFAOYSA-N 318.328 3.891 0 40 DHAB CSCC[C@H](N)c1nnc(SC/C=C/c2ccccc2)o1 5245831 BTEIFALJTNYPPH-LJLILKBBSA-N 321.471 3.628 0 40 DHAB CCNC(=O)c1ccc(OCCSc2ccccc2)cc1 113948856 OYJSEHUDSMXONJ-UHFFFAOYSA-N 301.411 3.607 0 40 DHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1F 5417982 DRHCPEMGRJKTQJ-APWZRJJASA-N 324.399 3.582 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2)cc1OCC 5510604 GGDPGMIRDCXRDA-CQSZACIVSA-N 313.397 3.975 0 40 DHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1cccnc1 23646445 BANFOPKJYATCQX-UHFFFAOYSA-N 310.441 3.968 0 40 DHAB O=C(NC1CC1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 7191792 DADWCLDVOGQKCU-INIZCTEOSA-N 319.763 3.878 0 40 DHAB c1ccc(CCc2nnc3sc(-c4cccs4)nn23)cc1 9050391 YWWWTURBYKAHBV-UHFFFAOYSA-N 312.423 3.700 0 40 DHAB O=S(=O)(Nc1ccccc1F)c1ccc(C(F)(F)F)cc1 7402799 KFANTAKNQZLLDU-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB Clc1ccc(C2=NN=C(NC3CC3)SC2)cc1Cl 7986208 PURVEQSTGIDMBA-UHFFFAOYSA-N 300.214 3.552 0 40 DHAB O=C(NCc1cccs1)c1cc(C2CC2)nn1-c1ccccc1 8269816 WLUQPQMHXUHGNZ-UHFFFAOYSA-N 323.421 3.741 0 40 DHAB COc1ccccc1NC(=O)c1cc(Br)ccc1F 9315255 YVHAZLCVCFTIQT-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB Cc1cc(F)ccc1CN(C)Cc1ccc([S@@](C)=O)cc1 93712568 QEGKOSRYVOUKCH-NRFANRHFSA-N 305.418 3.504 0 40 DHAB C[C@@H](NC(=O)CCc1ccc(F)cc1)c1nc2ccccc2[nH]1 9467637 JACGKJSTDFTXIP-GFCCVEGCSA-N 311.360 3.512 0 40 DHAB CO[C@H](C)c1nc(CN(C)C(=O)c2ccc(F)c(C)c2)cs1 79022250 KJQAVQBTLSWIMT-LLVKDONJSA-N 322.405 3.570 0 40 DHAB COc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccccc1F 97232094 QQCRYDCDEGBGLN-GFCCVEGCSA-N 316.376 3.709 0 40 DHAB O=C(CCN1CCC[C@@H]1CC1CCCCC1)N1CCCCC1 84543938 JMFMUFNYVMHNBH-GOSISDBHSA-N 306.494 3.824 0 40 DHAB COc1cccc(CNc2ccc(SCCCO)cc2)c1 89470085 KYERWHKGDRENHK-UHFFFAOYSA-N 303.427 3.782 0 40 DHAB CCc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 21904476 ZZHKUDNUBPWKJD-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB CC(C)(C)C(=O)COc1ccccc1OC(=O)c1ccccc1 28294500 SPHZIMAZDVLRFH-UHFFFAOYSA-N 312.365 3.900 0 40 DHAB O=C(Nc1cc(Cl)ccc1O)c1ccc(N2CCCC2)cc1 408678386 YARKEJXZMRCELT-UHFFFAOYSA-N 316.788 3.898 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 36719549 DBHYFDDKMQQRBN-VYMYIBDJSA-N 313.441 3.644 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2cc(F)ccc2C)c1 71761582 UPVYIGLWMCQROJ-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB Cc1ccc(C)c(OCc2nnc(S)n2-c2ccccc2)c1 38536732 HYRWFPRGIJJMTD-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccco2)cc1 72221580 JXCYIOIZSFWQLH-HNNXBMFYSA-N 305.399 3.504 0 40 DHAB CCCOc1cccc(C(=O)n2c(C)c(CO)c3ccccc32)c1 216957181 BHRRYSQLMQETKR-UHFFFAOYSA-N 323.392 3.919 0 40 DHAB O=C(O)c1cnc(-c2ccccc2F)nc1NCc1ccccc1 49469807 PJXXVDFMELFJFO-UHFFFAOYSA-N 323.327 3.593 0 40 DHAB CCO[C@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@@H](C)C1 225716860 AVGIGBUIXPXZQO-FZKQIMNGSA-N 305.418 3.928 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1C 222994467 KITRCZAZROEIQL-OAHLLOKOSA-N 315.388 3.569 0 40 DHAB O=Cc1nc2ccccc2n1Cc1ccc(Br)cc1 41058259 BZRUEYRDIQVUGT-UHFFFAOYSA-N 315.170 3.660 0 40 DHAB COC[C@H](N[C@@H](C)c1ccc(Br)o1)c1ccco1 225575419 IGXQGKMEMFCRFN-UWVGGRQHSA-N 314.179 3.673 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 80344723 MALKJZNCFVSTNE-HOTGVXAUSA-N 323.392 3.817 0 40 DHAB O=[S@@](CCc1cccs1)Cc1coc(-c2ccccc2)n1 190756419 CISXAQBSLZWBHP-NRFANRHFSA-N 317.435 3.895 0 40 DHAB CSc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1 97437879 QWCASQKVBIMZJO-UHFFFAOYSA-N 323.421 3.906 0 40 DHAB C[C@H]1CCO[C@@H]1C(=O)N(c1cccc2cccnc12)C1CCC1 95427177 WNZVDQAQDUQFRX-UGSOOPFHSA-N 310.397 3.545 0 40 DHAB CCSCc1cccc(NC(=O)NC2(C)CCOCC2)c1 96495529 XYHSIWCWZNZTBK-UHFFFAOYSA-N 308.447 3.630 0 40 DHAB CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ncc(C)s1 96415643 JICFRHJGLQOIDS-NSHDSACASA-N 310.806 3.692 0 40 DHAB O=C(O)Cc1sc(N2CCCC2)nc1-c1ccc(Cl)cc1 95097146 MPMMQQSXRXTOPJ-UHFFFAOYSA-N 322.817 3.691 0 40 DHAB OC[C@@H](NCc1sccc1Cl)c1c(F)cccc1F 330032438 NAXHWKGFZRRXJB-LLVKDONJSA-N 303.761 3.503 0 40 DHAB Cc1ccc(C2=NN(C(N)=O)[C@H](c3ccc(Cl)cc3)C2)cc1 95864679 DMEPWLRLONRJHV-INIZCTEOSA-N 313.788 3.878 0 40 DHAB CC(C)N1CC[C@H](Cc2ccnc(-c3ccnn3C(C)C)c2)C1 257325299 WSIKFYVOQGZJCX-QGZVFWFLSA-N 312.461 3.799 0 40 DHAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCCN[C@H]3C[C@@H]21 257324469 WOULBJNZQBOPOU-DARAHFNDSA-N 307.821 3.709 0 40 DHAB COc1cccc(CCNCc2cn(C3CCCC3)nc2C)c1 256052883 PANYLIDGFALZIY-UHFFFAOYSA-N 313.445 3.648 0 40 DHAB C[C@H]1Cc2cc(CN3[C@H]4CC[C@H]3c3cccnc3C4)ccc2O1 253593857 AYJQRXUMHWDPRA-AXHNFQJDSA-N 306.409 3.667 0 40 DHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)NCc1cccs1 390828885 CBTBIVSHBIQVJG-LBPRGKRZSA-N 314.410 3.925 0 40 DHAB C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)CCO 5423425 OVBCYALNGQQYRZ-AWEZNQCLSA-N 314.454 3.602 0 40 DHAB Cc1cccc(-c2ocnc2C(=O)N[C@H](C)c2ccccn2)c1 12115135 DGYPTMAZMGPRFV-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=S)Nc2ccccc2)c1 16194124 UFZNUKGBLLVLLV-UHFFFAOYSA-N 320.801 3.936 0 40 DHAB Cc1ccc(-n2ncc3c2C[C@H](c2ccccc2O)CC3=O)cc1 17054575 ZJBIHPNEURYOSD-AWEZNQCLSA-N 318.376 3.799 0 40 DHAB CCc1cccc(NC(=S)Nc2ccc3c(c2)OCCO3)c1 18918452 VOZVFZKLHMGJNJ-UHFFFAOYSA-N 314.410 3.829 0 40 DHAB COc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1 19555189 PHGXRPREDRUJMC-QGZVFWFLSA-N 321.424 3.951 0 40 DHAB Cc1c(Cl)cccc1NC(=O)CN(C)Cc1ccsc1 7926845 PELOIYAUHULHNE-UHFFFAOYSA-N 308.834 3.780 0 40 DHAB CCCN1C(=O)S/C(=C/c2cccc(OC)c2OCC)C1=O 6323977 UFAHLRBDMVVASS-JLHYYAGUSA-N 321.398 3.540 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 240067796 SCHKXYRFWOUKFL-NJHADGRTSA-N 323.521 3.842 0 40 DHAB COc1ccc(-c2ccc(NC(=O)c3ccccc3F)cc2)nn1 5259561 FDQFIZPNZKGZAZ-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 40135196 RTBWVWHQKHKTTF-BETUJISGSA-N 303.450 3.634 0 40 DHAB CCN(CC)C[C@H](O)Cn1c2c(c3cc(C)ccc31)CCCC2 384443 SSFTXRODJYFAFR-INIZCTEOSA-N 314.473 3.531 0 40 DHAB COc1ccc(-c2nnc(SCc3ccccc3)n2C)cc1 422005 LRXYRGFVYAHAPZ-UHFFFAOYSA-N 311.410 3.783 0 40 DHAB Cc1ccc(-c2nnc(SCc3ccccc3C)n2N)cc1 525428 JIWHRLVHXWOFTH-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB O=C(c1ccccc1Br)N1CCc2ccccc21 820308 LRMNUFMSLMULSV-UHFFFAOYSA-N 302.171 3.652 0 40 DHAB O=C(c1ccc(F)cc1)n1cc(-c2nc3ccccc3o2)cn1 1398343 JTSVHGBKJHQCJZ-UHFFFAOYSA-N 307.284 3.519 0 40 DHAB COc1ccc(CN2CCSc3sccc3C2=O)cc1 1402077 CILVVIBERKZCSS-UHFFFAOYSA-N 305.424 3.505 0 40 DHAB CC(C)CC(CC(C)C)NC[C@H](C)OC(=O)c1ccc(N)cc1 1714528 RTUNRXVTBHWXIR-HNNXBMFYSA-N 320.477 3.865 0 40 DHAB CC(C)CC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 3051554 CLWXTYKKFMPOOM-LBPRGKRZSA-N 323.651 3.957 0 40 DHAB CCCCNc1c(CN2CCCC2)c(=O)oc2ccccc12 3177970 QSLNLXJVHSRIOQ-UHFFFAOYSA-N 300.402 3.601 0 40 DHAB Cc1nc(CC(=O)Nc2nc(-c3ccccc3)cs2)cs1 3452945 DHDLVPZVBPEIRZ-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB Oc1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1 3849199 QAIJBTFNHAZJPI-UHFFFAOYSA-N 313.666 3.774 0 40 DHAB biogenic CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)o2)C1=O 5175777 CLEGIRLZJZFOGR-CDDSVFCYSA-N 322.430 3.961 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1 6570436 IFDIEELVUPUOFI-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)C1C[C@@H]2CCC[C@H](C1)C2=O 7263955 GIAHKTSLCDMTNO-ONYGOOLBSA-N 311.425 3.576 0 40 DHAB CSc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 7745769 FQNDHKUSMBIXOC-VAWYXSNFSA-N 305.424 3.821 0 40 DHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccn1 7898907 WYEOPLSAZWIUTI-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 7929326 CSCNLMZEFWPXMT-INIZCTEOSA-N 323.392 3.570 0 40 DHAB O=C(OCc1cc2ccccc2nc1Cl)c1cccc(O)c1 8447536 BDNSVUBLVBEODL-UHFFFAOYSA-N 313.740 3.951 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(F)c1 8558283 FAFNUQPUERDPGY-AWEZNQCLSA-N 303.333 3.630 0 40 DHAB Cc1[nH]c2ccc(F)cc2c(=O)c1SC(F)(F)C(F)F 8578756 XJQQDCSJVURSPE-UHFFFAOYSA-N 309.259 3.926 0 40 DHAB Cc1ccc2sc(NS(=O)(=O)c3ccccc3)nc2c1C 8864575 KCHFEUIOLZAGAS-UHFFFAOYSA-N 318.423 3.714 0 40 DHAB COc1ccccc1-c1nnc(NC(=O)C2CCCCC2)s1 9288909 PHOADYWQOVWHQZ-UHFFFAOYSA-N 317.414 3.733 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)no1 10028835 RRQSAMKUOWKTIM-SECBINFHSA-N 319.411 3.712 0 40 DHAB CCn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1Cl 11889697 LMBJNRQHVLIITJ-UHFFFAOYSA-N 323.849 3.904 0 40 DHAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3C)ccc2o1 12753351 RFEWHBZDSFGGIW-LBPRGKRZSA-N 309.369 3.884 0 40 DHAB Cc1csc(NC(=O)c2ccccc2C(=O)c2ccccc2)n1 12935104 VAWVOOKGNBZKNI-UHFFFAOYSA-N 322.389 3.935 0 40 DHAB Nc1ccc2nc(CCCCc3nc4ccccc4[nH]3)[nH]c2c1 13119431 WPMYFTCNGLGMAF-UHFFFAOYSA-N 305.385 3.587 0 40 DHAB CCc1ccc(Cn2nccc2NC(=O)c2cccc(F)c2)cc1 14182346 PGIFEMCUKRQWNI-UHFFFAOYSA-N 323.371 3.885 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1ccccc1Cl 15472234 ISXSBBREACJRDJ-LBPRGKRZSA-N 319.788 3.605 0 40 DHAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 16130125 WEIWKUSNZHTAGC-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCc4ccccc4C3)c2c1 20744464 NTTHKKPISQKWFX-LJQANCHMSA-N 320.392 3.660 0 40 DHAB CCCCc1nnc(NC(=O)c2cccc3cccnc23)s1 23363021 QLRKWSISGGGXAU-UHFFFAOYSA-N 312.398 3.681 0 40 DHAB Cc1cc(CNC(=O)NCCc2ccc(Cl)cc2)ccc1F 24968836 FLEUFKRMMOSILI-UHFFFAOYSA-N 320.795 3.829 0 40 DHAB O=C(CN1CCCc2ccccc21)N1CCSc2ccccc21 25784971 WWDXOYGIEBXVEK-UHFFFAOYSA-N 324.449 3.578 0 40 DHAB CCC(=O)Nc1ccc([C@H](C)NCc2ccccc2OC)cc1 30640515 OFFDHANEDAOFAV-AWEZNQCLSA-N 312.413 3.895 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 32836307 GLHIUXSOKKVDII-VXNVDRBHSA-N 321.289 3.620 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 33136197 NKRLUEPQERZZEL-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O 34439255 SFKKGJIKDGSCQC-UHFFFAOYSA-N 305.252 3.751 0 40 DHAB in-vitro COc1ccc(C)cc1CC(=O)N[C@H](C)Cc1ccccc1C 40155941 HZEZSRYHLJNRAJ-MRXNPFEDSA-N 311.425 3.602 0 40 DHAB CCCOc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210426 BUGLWESKIVQFAT-UHFFFAOYSA-N 318.394 3.813 0 40 DHAB COc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1Cl 45889543 DPNJWINBURABDW-UHFFFAOYSA-N 304.777 3.800 0 40 DHAB CC[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1cccs1 55966894 LOPMUUCYWDDBCZ-CYBMUJFWSA-N 317.410 3.791 0 40 DHAB Cc1ccc(-c2nsc(Nc3ccccc3C(=O)O)n2)cc1 57509454 YZKHHUVOKKHBSX-UHFFFAOYSA-N 311.366 3.955 0 40 DHAB O=C(c1nccc2ccccc12)N1CCC[C@H]1c1ccncc1 58433337 VWSNBRDWPBWEMZ-KRWDZBQOSA-N 303.365 3.607 0 40 DHAB C[C@@H](NC(=O)N(Cc1ccccc1F)C1CC1)c1cccnc1 71793562 INSRWIBMSNWVQH-CYBMUJFWSA-N 313.376 3.656 0 40 DHAB O=[S@](Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)on1 71801192 OMSOWVMREHXZBF-QFIPXVFZSA-N 315.369 3.930 0 40 DHAB COc1ccc(-c2cc(-c3cccc(C)c3)nc(N)n2)cc1OC 71978218 XEFJWPDHGSENLK-UHFFFAOYSA-N 321.380 3.718 0 40 DHAB O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCSCC1 72264657 HXOYLTLCOVVETL-UHFFFAOYSA-N 301.386 3.682 0 40 DHAB COc1cccc(C(=O)N[C@H](C)COc2ccc(Cl)cc2)c1 80345916 LMSRAMQSKHIDER-GFCCVEGCSA-N 319.788 3.546 0 40 DHAB CC(C)Cc1nnc([C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)o1 85347772 VVZPMBWBWYGYIU-CHWSQXEVSA-N 323.437 3.819 0 40 DHAB Fc1ccc2ncnc(Oc3ccc(-n4cccn4)cc3)c2c1 92656096 OHWLCECDSRVNHV-UHFFFAOYSA-N 306.300 3.747 0 40 DHAB Cc1nnc(-c2cccc(C(=O)OCc3cccc(F)c3)c2)o1 95412664 FOBFZUOIPLSOEO-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB CSC(C)(C)CN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 95423529 NVBUNBBXVRDICB-LBPRGKRZSA-N 321.490 3.763 0 40 DHAB COc1cc2ccncc2cc1OCC(=O)Nc1ccccc1C 95467724 QRPPFQMKPCGMLF-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC1CCN(C(=O)C(C)(C)C)CC1 96012961 NAODRTDKUWYMRL-NXHRZFHOSA-N 320.521 3.924 0 40 DHAB CCc1ccc(N2C(=O)C[C@H](Nc3ccc(C)c(C)c3)C2=O)cc1 96248385 GMODJMZZRWEBPO-SFHVURJKSA-N 322.408 3.610 0 40 DHAB CO[C@@H](CNC(=O)c1ccccc1Cl)c1cccc(F)c1 96388003 SNUTYCNHENAZLL-HNNXBMFYSA-N 307.752 3.597 0 40 DHAB COc1ccc(OC)c(CN(Cc2ncc(C)o2)C(C)(C)C)c1 96474640 KCCBUNZTLGANQH-UHFFFAOYSA-N 318.417 3.801 0 40 DHAB COc1ccc2c(c1)[C@@H](NCCc1ncc(C)s1)CCCO2 96478440 QSCGVVQWTAMJRX-HNNXBMFYSA-N 318.442 3.506 0 40 DHAB CC(C)NC(=O)Nc1ccc([C@H](C)NC[C@@H]2CCCS2)cc1 96479271 ZULMEJBMFFLHSK-BBRMVZONSA-N 321.490 3.763 0 40 DHAB CC(C)c1nnc(CN[C@@H](C)c2ncc(-c3ccccc3)o2)o1 97112338 BDEMKIHLPVRKNE-LBPRGKRZSA-N 312.373 3.699 0 40 DHAB CCc1ccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)cc1 101275758 CDYJYXIQKCQLEC-GOSISDBHSA-N 322.408 3.610 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc(Cl)c(Br)n1 115456597 OZBUDWVDDWNKFT-UHFFFAOYSA-N 307.575 3.845 0 40 DHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)cc1 225623675 YCFIQKDUNZQCSD-GOSISDBHSA-N 323.433 3.636 0 40 DHAB CCc1cc(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)[nH]n1 225791265 HXZSMZGNIFHJNL-GFCCVEGCSA-N 313.401 3.553 0 40 DHAB O=C(Nc1cnc2ccccc2c1)c1cc2ccccc2oc1=O 418395 KZPGKHWIHKIQQR-UHFFFAOYSA-N 316.316 3.594 0 40 DHAB COc1cc2ncnc(Nc3c(F)cccc3F)c2cc1OC 1386794 OUJXMWZOIJQBBH-UHFFFAOYSA-N 317.295 3.669 0 40 DHAB C[C@@H](C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 2032940 YQVMVCCFZCMYQB-JTQLQIEISA-N 321.735 3.599 0 40 DHAB in-vitro CC(C)[C@H](CCNCc1ccc2c(c1)OCO2)c1ccco1 2157136 HRNCAYFDDOIXIU-HNNXBMFYSA-N 301.386 3.928 0 40 DHAB biogenic CCCN(Cc1ccccc1)C[C@@H](O)COc1cccc(C)c1 2618346 ZUNCWOBGBSXZNJ-LJQANCHMSA-N 313.441 3.647 0 40 DHAB CCN(CC)C(=S)SCC(=O)Nc1ccccc1Cl 3206663 QBUJHTIFNZQLKE-UHFFFAOYSA-N 316.879 3.638 0 40 DHAB CCOP(=O)(OCC)c1cc(C)c(O)c(C(C)(C)C)c1 3268645 YCADMBLVASWXER-UHFFFAOYSA-N 300.335 3.890 0 40 DHAB O=C(COc1ccc2ccc(=O)oc2c1)c1ccc(Cl)s1 3532079 CDGWWDFVWQOYGU-UHFFFAOYSA-N 320.753 3.770 0 40 DHAB C[C@@H]1C[C@H](NC(=O)C(=O)c2c[nH]c3ccccc23)CC(C)(C)C1 4163119 WZWPIRFFPJNBMH-OLZOCXBDSA-N 312.413 3.682 0 40 DHAB C[S@@](=O)c1ccccc1COC(=O)Nc1cccc(Cl)c1 4650742 LILSRMMRWNCGNM-NRFANRHFSA-N 323.801 3.826 0 40 DHAB O=C(CCN1CCCCC1)Nc1c(Cl)cccc1Cl 4863731 QCAFLNOPKPAIDN-UHFFFAOYSA-N 301.217 3.808 0 40 DHAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/N=C(C)OC2=O)cc1OC 4997865 MFXWAGXUPSFQDT-MRACZJACSA-N 323.776 3.842 0 40 DHAB CC(C)C(=O)Nc1ccc(Br)cc1Br 5384023 VBKSMGMHJGPEJF-UHFFFAOYSA-N 321.012 3.806 0 40 DHAB Clc1ccc(OCc2cccs2)c(CNc2ncn[nH]2)c1 5450538 SYSOTBJGSDHWIX-UHFFFAOYSA-N 320.805 3.711 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 5555253 YEDLUBXCFCHVOT-UHFFFAOYSA-N 309.243 3.686 0 40 DHAB CC(C)N1C[C@@H](CCO)C(c2ccccc2)(c2ccccc2)C1 5640963 XZTJWVOZRVENMA-HXUWFJFHSA-N 309.453 3.695 0 40 DHAB Cc1ccc(C2=NCC(=O)Nc3sc4c(c32)CCCC4)cc1 6556710 JHLAMPUKRISLMR-UHFFFAOYSA-N 310.422 3.725 0 40 DHAB O=C1CC2(CCCCC2)C(=O)N1Cc1ncc(-c2ccccc2)o1 7046897 XYBKTKKZAPVRFZ-UHFFFAOYSA-N 324.380 3.551 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2ccccc2c(=O)[nH]1 7132629 PCKINIFJWBVIRE-UHFFFAOYSA-N 316.719 3.573 0 40 DHAB O=C(Cc1ccc(F)cc1)N[C@H]1CCSc2ccccc21 7814041 VERSQFZJBFZKMW-HNNXBMFYSA-N 301.386 3.722 0 40 DHAB C[C@](CC(=O)Nc1ccccc1Cl)(C(=O)O)c1ccccc1 8993888 YFFFIHYOACZTBV-QGZVFWFLSA-N 317.772 3.711 0 40 DHAB COc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 11917179 ROTPCJNEYDGNDD-UHFFFAOYSA-N 324.405 3.999 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)CCC2 12507371 BGSYFBLJWYQHCY-UHFFFAOYSA-N 305.381 3.623 0 40 DHAB O=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 12557515 WTBBMUCCWLDGKY-SFHVURJKSA-N 303.365 3.993 0 40 DHAB CCOc1c(Cl)cc(C(=O)Nc2cc(C)ccn2)cc1OC 12558218 DPYYGJMHEVSIHS-UHFFFAOYSA-N 320.776 3.703 0 40 DHAB Cc1ccccc1NC(=S)NC[C@@H](c1cccs1)N(C)C 23243240 BHUHJRLAHARVJP-AWEZNQCLSA-N 319.499 3.646 0 40 DHAB COc1cccc(NC(=O)c2ccccc2NC(=O)C2CCC2)c1 24749741 RJYROKVAYDIKCG-UHFFFAOYSA-N 324.380 3.686 0 40 DHAB COc1ccccc1-c1cc(COC(=O)c2occc2C)on1 26280207 GSKDYLVMAAKXGW-UHFFFAOYSA-N 313.309 3.609 0 40 DHAB Clc1ccc(NCc2nc3n(n2)CCCCC3)cc1Cl 28526936 GHSPBSVSXWBLEA-UHFFFAOYSA-N 311.216 3.923 0 40 DHAB C[C@@H](NCc1ccsc1)c1ccc(NC(=O)C2CC2)cc1 28925556 BCRJUUNOJFQCPO-GFCCVEGCSA-N 300.427 3.947 0 40 DHAB CC(C)OCc1ccccc1CNC(=O)c1ccc(Cl)o1 31342013 IJUQKVDXPNORIT-UHFFFAOYSA-N 307.777 3.788 0 40 DHAB CC(=O)Nc1cc(C(=O)CSc2ccc(C)cc2)ccc1O 31682494 NYGNBQJUGVPJEI-UHFFFAOYSA-N 315.394 3.634 0 40 DHAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2CC)C1=O 36635547 YVDASEFPMJRFFF-QGZVFWFLSA-N 322.408 3.555 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2C)c1 40510093 KRTANYFZUDVGDW-UHFFFAOYSA-N 324.424 3.701 0 40 DHAB O=C(C[C@@H]1CCC[C@H]1C(=O)O)c1cccc(C(F)(F)F)c1 43879144 BCCWSJZUORSYGK-JOYOIKCWSA-N 300.276 3.779 0 40 DHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccncc2)c1 45584621 IAQFZLSTXJSAQY-OAHLLOKOSA-N 312.413 3.597 0 40 DHAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCO[C@@H]2CCCC[C@@H]21 46495268 RICBWWONIQARDJ-ZOBORPQBSA-N 319.367 3.525 0 40 DHAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ncccc1O 48234550 YNQDCDWHSTXSQN-UHFFFAOYSA-N 318.332 3.868 0 40 DHAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2cccc(O)c2)C1 49548299 QYGVEYWQSYLVOJ-INIZCTEOSA-N 319.364 3.761 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1C 58170986 UKUCLIUDZFIIKV-UHFFFAOYSA-N 300.383 3.586 0 40 DHAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@H]2CCCC[C@H]21 58418818 AZQFNKYMBRLIAG-MAUKXSAKSA-N 321.424 3.938 0 40 DHAB COC(=O)c1ccc(-c2ccc(OC)c(Br)c2)cc1 71789974 STNMJBRHLHFQIG-UHFFFAOYSA-N 321.170 3.911 0 40 DHAB CC[C@@H](O)CCCNC(=O)Nc1cc(Cl)ccc1Cl 72303873 OTLIIKNGDKMRAL-SNVBAGLBSA-N 305.205 3.666 0 40 DHAB C[C@H]1CCN(C(=O)Cc2n[nH]c3ccccc23)[C@@H](c2ccco2)C1 75386849 SAUUZCWZTHFDQB-SUMWQHHRSA-N 323.396 3.698 0 40 DHAB C[C@@H](CNC(=O)N(C)[C@H](C)c1ccncc1)Cc1cccs1 76088247 BEEKKKVSADWIBL-ZIAGYGMSSA-N 317.458 3.724 0 40 DHAB Cc1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1C 77913408 JARIVQUXISETIB-UHFFFAOYSA-N 318.376 3.911 0 40 DHAB CCCN(CCC)C(=O)CN(C)Cc1ccc(F)cc1Cl 78551774 LOTIFUVHBGBGCF-UHFFFAOYSA-N 314.832 3.560 0 40 DHAB CC(C)C[C@H](NCCNC(=O)c1ccccc1)c1ccccc1 79015302 IDPFXIURGIFVBL-IBGZPJMESA-N 310.441 3.793 0 40 DHAB CCOC(=O)C[C@H](C)S[C@@H](C)c1nnc(-c2ccccc2)o1 79359111 KHJRHCJIYZHVMD-RYUDHWBXSA-N 320.414 3.873 0 40 DHAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2cccc(F)c2)S1 85412360 FNGXFRVSDYPQBP-ZDUSSCGKSA-N 305.378 3.783 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1CNc1ccccc1CO 92142171 FLOKAKUYZPOFBH-UHFFFAOYSA-N 321.424 3.653 0 40 DHAB O=C(Nc1cnc(C2CC2)nc1)N(Cc1cccs1)C1CC1 95349695 NBJSBKZWMOTSGA-UHFFFAOYSA-N 314.414 3.612 0 40 DHAB COc1cccc2cc([C@@H](C)N[C@H](C)C3CCOCC3)oc12 95419650 SJUDFDRNBYVODX-CHWSQXEVSA-N 303.402 3.907 0 40 DHAB CNC(=O)c1cccc(CN[C@@H](C)c2oc3ccccc3c2C)c1 95420955 AANAPKDVBKEAFZ-AWEZNQCLSA-N 322.408 3.952 0 40 DHAB Cc1cc(C)c(CNCC2CN(C(=O)OC(C)(C)C)C2)c(C)c1 95447459 VBBBMTIQQDIMOM-UHFFFAOYSA-N 318.461 3.568 0 40 DHAB O=C(OCCc1ccccc1)c1cncnc1-c1ccccc1 95983815 IYZFQHXNBPXZPX-UHFFFAOYSA-N 304.349 3.543 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c1 96433182 OMGVBOIOLGBHAI-ZBEGNZNMSA-N 314.385 3.732 0 40 DHAB CCSc1ccc(Cl)cc1C(=O)NCc1c(C)noc1C 96460089 DBFSWEHBOMGXTD-UHFFFAOYSA-N 324.833 3.987 0 40 DHAB CC(C)c1ccc(NC(=O)[C@@H]2CSC(=O)N2)c(C(C)C)c1 97010842 AFLHFYWGRRIZKJ-AWEZNQCLSA-N 306.431 3.697 0 40 DHAB Cc1cccc(COc2cccc(NCc3nnc(C)n3C)c2)c1 97048070 HMLNMXKBTKOYSL-UHFFFAOYSA-N 322.412 3.623 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C)cc2)cc1 98069835 DSDKLTOYZYNMPA-UHFFFAOYSA-N 319.426 3.607 0 40 DHAB CN1[C@@H]2CC[C@@H]1CC(OC(=O)C1(c3ccccc3)CCCC1)C2 100119106 WQIVCNLLAVUHIE-IAGOWNOFSA-N 313.441 3.667 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102233679 JDQPGADBLGGPFK-QSPRXWTASA-N 302.487 3.660 0 40 DHAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COC[C@@H]1C[C@H]2CC[C@H]1C2 106219676 CDWNVYOEAWOXCA-XLAORIBOSA-N 323.521 3.843 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c(C)c1 113959476 JHEPPWXVEYCMNK-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(F)cc2)S1 222558529 JVBNWAJNBJPUEQ-RLCCDNCMSA-N 313.401 3.810 0 40 DHAB CCC[C@@H](C(=O)O)N1c2c(OC)cccc2C(C)=CC1(C)C 223216076 YIJSTUILMPTRNE-AWEZNQCLSA-N 303.402 3.950 0 40 DHAB COc1ccc(OC)c(NC(=O)CCc2ccc(C)c(C)c2)c1 223375764 CYODJTKPOQQLHW-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB CCCCOCc1cc(C(=O)N2CCCCC2)ccc1OC 224440357 RLXQKNKNPUCVMP-UHFFFAOYSA-N 305.418 3.638 0 40 DHAB COc1ccc(C(=O)N2CCCCCC2)cc1COCC(C)C 224452711 DOCWLFSYBITYHS-UHFFFAOYSA-N 319.445 3.884 0 40 DHAB CCOc1ccccc1C[C@H](Oc1ccccc1Cl)C(=O)O 225103984 DQRBNCFVOXXPHW-INIZCTEOSA-N 320.772 3.813 0 40 DHAB Cc1ccccc1NC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225679648 ADMLJIZIEKXRLO-OAHLLOKOSA-N 324.380 3.745 0 40 DHAB CC(C)N(C[C@@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(C)C 245229075 MPYNMCRQCDYTCP-VXIBKDFQSA-N 311.510 3.698 0 40 DHAB C[C@H](N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccsc1 247938434 CSCSLHMXLNLJSP-RLFYNMQTSA-N 315.486 3.704 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@H]3c3ccncn3)ccc2o1 257270031 MSNFEBYOMFGKTL-INIZCTEOSA-N 307.353 3.509 0 40 DHAB CCC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C(C)(C)C)C1 408976757 SAKLQHJWPVGRCX-INIZCTEOSA-N 308.809 3.687 0 40 DHAB CCCN1C(=O)S/C(=C\c2cc(C)n(C3CC3)c2C)C1=O 409149005 VRWBTDVKLYCHJK-ZROIWOOFSA-N 304.415 3.886 0 40 DHAB Cc1cc(CNC(=O)N2CCC[C@H]2c2cccc(Cl)c2)no1 516719087 OUHCYGOPEVIXTL-HNNXBMFYSA-N 319.792 3.683 0 40 DHAB CC(=O)N1[C@@H](Nc2ccc(Cl)cc2)CCN1c1ccccc1 282705 CYFVVKOTMFUSNH-QGZVFWFLSA-N 315.804 3.752 0 40 DHAB CCOC(COc1ccc(C(=O)c2ccccc2)cc1)OCC 353166 YMZVHWXLHQDBFG-UHFFFAOYSA-N 314.381 3.696 0 40 DHAB COc1cc(OC)c(C(=O)OC2C[C@@H](C)C[C@H](C)C2)cc1OC 365408 AGHLLFVFFAIZDA-RYUDHWBXSA-N 322.401 3.694 0 40 DHAB CCCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 3332780 BGKWCSPYGTVDDO-UHFFFAOYSA-N 304.173 3.665 0 40 DHAB Cc1ccc(NC(=O)CSc2nnc(C(C)C)o2)cc1C 6301287 RLXAYRATKFAKJE-UHFFFAOYSA-N 305.403 3.541 0 40 DHAB Clc1ccc(-c2noc(CN3CCc4ccccc43)n2)cc1 7348075 XYUHDJSDNLZAFL-UHFFFAOYSA-N 311.772 3.953 0 40 DHAB CCOCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 7540943 YOVANIXPRNACFF-CQSZACIVSA-N 303.402 3.516 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 8479926 BZUVKFJOVMIUJL-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB CC(=O)Nc1ccc(-c2csc(NC(=O)C(C)C)n2)c(F)c1 8884070 QKPZBBGCJVXERX-UHFFFAOYSA-N 321.377 3.502 0 40 DHAB Cc1cc2nc(C)n(CC(=O)N(C)c3ccccc3)c2cc1C 9250285 OXDKJRYRFRTAOL-UHFFFAOYSA-N 307.397 3.625 0 40 DHAB CC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 10023682 NHFGHXAIBZFBSW-LBPRGKRZSA-N 314.360 3.617 0 40 DHAB CCn1c(NC(=O)c2cccc3cccnc23)nc2ccccc21 10651740 IROLHUHACAWWHM-UHFFFAOYSA-N 316.364 3.857 0 40 DHAB C[C@H](NC(=O)c1cc(Br)ccc1O)c1ccccc1 11639367 WVEYOGNSXPJTNJ-JTQLQIEISA-N 320.186 3.646 0 40 DHAB O=C(NC(C1CC1)C1CC1)c1cc(Br)ccc1F 12903932 DYAIWZVNTWUZEI-UHFFFAOYSA-N 312.182 3.507 0 40 DHAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)CCC(C)C)c(C)c1 12952697 SSHONWOOAQFNLQ-OAHLLOKOSA-N 305.418 3.918 0 40 DHAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)(C)C 13804928 BMLJKCABXIRIFP-UHFFFAOYSA-N 314.429 3.621 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](C)N2CCCCC2)cc1Cl 13964866 QJLZNFGYIUILMW-CYBMUJFWSA-N 309.841 3.644 0 40 DHAB O=C(C[C@H]1C=CCC1)Nc1ccc(N2CCCC2=O)c(Cl)c1 14802663 TXXCDNQISLZGDI-LBPRGKRZSA-N 318.804 3.762 0 40 DHAB Cc1ccc(OCCNC(=O)c2cccc(Cl)c2)c(C)c1 15139439 LENUIDSNSYEWIS-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 16086498 NCLBIRBENNJHET-GFCCVEGCSA-N 309.818 3.688 0 40 DHAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736794 ZBMYAOGAIAEXJQ-NSHDSACASA-N 302.349 3.838 0 40 DHAB CC(C)c1cc(=O)[nH]c(Nc2nc(-c3ccccc3)cs2)n1 19819612 BMQFTRHXLKTGMT-UHFFFAOYSA-N 312.398 3.760 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSC(C)(C)C 20490234 VIVALFDERSHTCM-OAHLLOKOSA-N 309.475 3.800 0 40 DHAB COc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)cc1Cl 20572118 YMRTUDQERNKCFR-VIFPVBQESA-N 320.776 3.714 0 40 DHAB CN(Cc1cnn(-c2ccccc2)c1)c1nc2ccccc2o1 29397597 VKQGUORMYXBMOS-UHFFFAOYSA-N 304.353 3.650 0 40 DHAB C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccco1 31252155 RYUPSNKZLFOLMZ-CYBMUJFWSA-N 321.467 3.810 0 40 DHAB COc1ccc([C@@H]2CCCN2Cc2nc(C(C)(C)C)no2)cc1 40066909 TXHISLOTSPFLTO-HNNXBMFYSA-N 315.417 3.713 0 40 DHAB COc1ccc(C)cc1[C@H](C)NC(=O)COC1CCCCC1 44355539 CRODUDDCHIVYLR-AWEZNQCLSA-N 305.418 3.530 0 40 DHAB C[C@@H]1CCCCN1c1c(N)cc(Cl)c(N)c1Br 45891324 BPLLGTLRYYVXBQ-SSDOTTSWSA-N 318.646 3.646 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2F)cc1 51527947 DAKCDAVUQIIEQO-UHFFFAOYSA-N 307.752 3.760 0 40 DHAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CC(C)C)C3 57140718 FGJZCOOJRRRKQK-UHFFFAOYSA-N 307.777 3.563 0 40 DHAB O=C(NCc1ccccn1)c1ccc(Sc2ccccn2)cc1 58228075 ITEIYPOEMLEVBE-UHFFFAOYSA-N 321.405 3.558 0 40 DHAB CC[C@@H](C)n1ncc2c(C(=O)Nc3cc(C)ccn3)cc(C)nc21 69381251 FDLYRUMJLZMFPS-CYBMUJFWSA-N 323.400 3.666 0 40 DHAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1cccc2nccnc12 71282559 WMNZQJNGWOJRLY-LBPRGKRZSA-N 307.357 3.531 0 40 DHAB O=C(CCc1c(F)cccc1F)N1CCC[C@H]1c1ccc[nH]1 71818778 AHQFNRRUWDIRLH-INIZCTEOSA-N 304.340 3.589 0 40 DHAB C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)c1cc2cc(F)ccc2o1 71910372 AJLZHYJPVVEBBB-GHMZBOCLSA-N 313.332 3.768 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)Cn1c(C)cc2ccccc21 72243198 KQMMLWFKEIMGAO-UHFFFAOYSA-N 324.428 3.983 0 40 DHAB CCc1ccc(NC(=O)c2cc(F)ccc2-n2ccnc2)cc1 72292856 YUPOPDDQBYCWQF-UHFFFAOYSA-N 309.344 3.826 0 40 DHAB Cc1ccsc1-c1cccc(NC(=O)NC[C@@H]2CCOC2)c1 72301249 WWYUPTOZCKBLKE-ZDUSSCGKSA-N 316.426 3.882 0 40 DHAB Cc1nc(NC(=O)c2cc3cc(F)ccc3n2C)sc1C 72405876 CHYOWEICKBVFRV-UHFFFAOYSA-N 303.362 3.643 0 40 DHAB C[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(C(C)(C)C)cc1 72881652 VZAVSTGRAXDHEW-CQSZACIVSA-N 302.462 3.503 0 40 DHAB O=C(CCc1ccc(Cl)s1)Nc1ccc(CCO)cc1 89787528 ORQCOXRCMBGSTH-UHFFFAOYSA-N 309.818 3.508 0 40 DHAB CC(C)(C)n1cc(NC(=O)N2CCCc3ccccc3C2)cn1 93275685 XNFYWOWMBXBJLB-UHFFFAOYSA-N 312.417 3.618 0 40 DHAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(F)c(F)c1F 95430443 PPUXHKIKHQCHGW-JTQLQIEISA-N 323.314 3.513 0 40 DHAB O=C(/C=C/c1ccc(Cl)nc1)Nc1nc2ccccc2s1 95442149 VURNVKYQPXCHOY-SOFGYWHQSA-N 315.785 3.997 0 40 DHAB Cc1ccccc1[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 95837062 GOXPNHIQWSDRCN-INIZCTEOSA-N 305.418 3.676 0 40 DHAB Cc1ccc(S(=O)(=O)[C@@]23N=NC(C)(C)[C@H]2[C@H]2CC[C@H]3C2)cc1 104008699 IPYMFJUSQDLQNW-YOKBYHGQSA-N 318.442 3.756 0 40 DHAB CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1ccccc1 152490223 XEYKJWJVRBWSQI-KRWDZBQOSA-N 312.413 3.706 0 40 DHAB O=C(CC1CC1)N1CCC[C@H](Cc2ccnc3ccncc23)CC1 257212610 CEFJUFKESNUURA-HNNXBMFYSA-N 323.440 3.601 0 40 DHAB CCn1ccs/c1=N\C(=O)C(c1ccccc1)c1ccccc1 408563049 TWOAEAPLKPVPGH-VXPUYCOJSA-N 322.433 3.829 0 40 DHAB CCSc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 585079840 RLKKYYAOEWKBIE-UHFFFAOYSA-N 301.367 3.749 0 40 DHAB Clc1cccn2ncc(-c3cccc([C@H]4CCCNC4)n3)c12 2037843335 BPMCQEGBDVRQCJ-LBPRGKRZSA-N 312.804 3.517 0 40 DHAB Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCO2 114584 SHAULVJXJIVKPR-UHFFFAOYSA-N 301.342 3.867 0 40 DHAB COc1ccc(NC(=O)CC(C)C)cc1NC(=O)c1ccco1 1010689 GQLDEXHSPJWVPI-UHFFFAOYSA-N 316.357 3.525 0 40 DHAB Cc1nc(N2CCc3ccccc32)c2sc(=S)n(C)c2n1 1421425 YOOYVJDCGMFXKP-UHFFFAOYSA-N 314.439 3.762 0 40 DHAB CCCCn1c(OC(=S)N(CC)CC)cc(C)nc1=S 1572780 YTWLPBJPCKTGQH-UHFFFAOYSA-N 313.492 3.727 0 40 DHAB COc1ccc(NC(=O)CSCc2cccc(C)c2)cc1 1892653 FCKOKOKUEMUXQT-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB COc1ccc(CCNC(=O)C2(c3ccccc3)CCCC2)cc1 2512683 AKDPQTRCWHIWSB-UHFFFAOYSA-N 323.436 3.866 0 40 DHAB O=C(NC1CCCCC1)N(C1=NCCS1)c1ccccc1 3187554 NWOLODRWHCCYQF-UHFFFAOYSA-N 303.431 3.638 0 40 DHAB CC[C@@H](C)SCC(=O)N1CCC(Cc2ccccc2)CC1 3258220 CSXYFVCMXISTFN-OAHLLOKOSA-N 305.487 3.999 0 40 DHAB COCCN(Cc1ccccc1)C(=S)Nc1ccccc1F 3330979 BAEUSSLCNZQHLZ-UHFFFAOYSA-N 318.417 3.671 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1 4090375 QGLXALAOQMEHPC-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1cc(C)cc(C)c1 4671641 IPVLSAPFZDARIV-HNNXBMFYSA-N 304.434 3.575 0 40 DHAB CC(C)(C)c1nnc(Nc2cc(Cl)cc(Cl)c2)[nH]c1=O 5154433 OOQMKORISFXVAD-UHFFFAOYSA-N 313.188 3.513 0 40 DHAB CCc1ccc(-c2ccc(=O)n(Cc3ccccc3C)n2)cc1 5397680 OYAUKKYTMOCACB-UHFFFAOYSA-N 304.393 3.829 0 40 DHAB CCc1ccc(C(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 5686780 DJXPAXAALNTXFV-UHFFFAOYSA-N 313.382 3.602 0 40 DHAB Fc1cccc(-n2nnnc2SCc2ccc(Cl)cc2)c1 5795345 SIXWMHZPRQXRKO-UHFFFAOYSA-N 320.780 3.747 0 40 DHAB Cc1cc(C)c2nc(SCC(=O)NC(C)C)cc(C)c2c1 6330045 DQQHTAUTFAJFOT-UHFFFAOYSA-N 302.443 3.777 0 40 DHAB Cc1ccccc1OCC(=O)Nc1cccc(Br)c1 6338944 LGJOLUUNXSKVEK-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 6987619 CRBVHMWMNYOXNR-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB C[C@@H](O)c1ccc(-c2ccc(CNCc3ccncc3)o2)cc1 7277245 BFWVOCHZZSKLLX-CQSZACIVSA-N 308.381 3.685 0 40 DHAB CCOCc1c(C(=O)OCC(=O)C(C)(C)C)oc2ccccc12 8389162 HEDSTWDBMROGSQ-UHFFFAOYSA-N 318.369 3.741 0 40 DHAB COc1ccc2c(c1)sc1ncc(-c3ccccc3)c(=O)n12 8560157 IXJRAQDRCCZTCA-UHFFFAOYSA-N 308.362 3.585 0 40 DHAB O=c1[nH]c2ccc(-c3csc(COc4ccccc4)n3)cc2o1 9450456 LAMSGMGXNTVHLD-UHFFFAOYSA-N 324.361 3.824 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 9479082 UBJPALGTDYYHAE-UHFFFAOYSA-N 321.336 3.552 0 40 DHAB O=C(Nc1nc2ccccc2s1)N(Cc1ccncc1)C1CC1 9979233 VBHYBAISKAUKOA-UHFFFAOYSA-N 324.409 3.888 0 40 DHAB O=c1cc(COc2c(Cl)cccc2Cl)nc2ccccn12 11392440 LENMUEIXRNGFNJ-UHFFFAOYSA-N 321.163 3.580 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1C 13939386 PEJBDZFSFBWAPC-MEDUHNTESA-N 309.475 3.777 0 40 DHAB O=C(Nc1ccccc1F)c1ccc(Br)cc1F 14180191 XAAVEMGCSUUHBB-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB COc1cc(NC(=O)c2cc(Cl)ccc2F)cc(OC)c1 14188010 BMALDIUGLIICHW-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB Cc1ccc(SCc2cc(=O)n(-c3ccc(F)cc3)[nH]2)cc1 17879210 KNKUDKXUPZIZOX-UHFFFAOYSA-N 314.385 3.905 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccccc3F)c2c1 20081869 XFPIUPCQQQOWOQ-VQHVLOKHSA-N 322.383 3.988 0 40 DHAB CCOc1ccc(CCC(=O)N2CCC[C@@H](C)C2)cc1OCC 20108261 YHPJDIRLBGDVRI-OAHLLOKOSA-N 319.445 3.675 0 40 DHAB CCCCCCC(=O)Nc1cc(C(=O)O)cc(Cl)c1OC 20136672 ZPWPODBWPLKBSD-UHFFFAOYSA-N 313.781 3.956 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccccc2SC)cc1 20491347 ZQQIKQVSVMECPN-LBPRGKRZSA-N 301.411 3.908 0 40 DHAB CCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC1 22282667 AYAQWORJOYIULK-UHFFFAOYSA-N 309.409 3.937 0 40 DHAB Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cn1 22413436 MQQCLFFLGVGGSP-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(F)cccc1F 22513967 NNESFLGSTFCVKL-CQSZACIVSA-N 309.287 3.900 0 40 DHAB O=C(Nc1cccc(F)c1)c1cc2cc(Cl)ccc2oc1=O 26842910 WCSPPFKWJBMJHP-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1 33401927 IKHXYCHHZYPKEQ-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB C[C@@H](C(=O)NC[C@H](C)c1ccccc1)n1cnc2ccccc21 36260052 BDITURCYQDLMME-GJZGRUSLSA-N 307.397 3.517 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)Cc1cccc2cccnc12 40025771 VJZLIGMZDIIITF-MRXNPFEDSA-N 318.420 3.915 0 40 DHAB O=C(Nc1cccc(-n2cccn2)c1)c1ccc2ccccc2n1 40105379 VARAQHUQRZCSKT-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB COc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1-n1cnnc1 45920697 VUGHFRWSWATQLD-UHFFFAOYSA-N 320.352 3.701 0 40 DHAB O=C(O)c1ncccc1Oc1ncc(C(F)(F)F)cc1Cl 48804283 CNGSOAMEPHJXAE-UHFFFAOYSA-N 318.638 3.639 0 40 DHAB CC(=O)c1cccc(Nc2cc(N)nc(-c3ccccc3F)n2)c1 49467877 UTOYYZNMWUEASM-UHFFFAOYSA-N 322.343 3.811 0 40 DHAB COC1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)CC1 53885844 KOTVWAYXRNLHOL-UHFFFAOYSA-N 307.777 3.646 0 40 DHAB Cc1ccsc1CN(CCCO)Cc1cccc(F)c1F 57822655 NXLWUXHSXPFFBG-UHFFFAOYSA-N 311.397 3.719 0 40 DHAB CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1Cc1ccccc1 62580543 KQPKOSLSUCWUHH-SFHVURJKSA-N 324.424 3.920 0 40 DHAB Cc1ccccc1C(=O)NCCc1coc(-c2ccccc2)n1 69488565 CVSYUWXQGAOADZ-UHFFFAOYSA-N 306.365 3.623 0 40 DHAB Cc1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)o2)n1 69560651 ZFLOXPBNHCOYSZ-SSDOTTSWSA-N 322.777 3.935 0 40 DHAB CCN(CC)C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 71826632 QLLQZWZBPDNYCB-UHFFFAOYSA-N 307.394 3.765 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)OC2CCCC2)n1 72283295 PQHLMNNJNQAQST-HIFRSBDPSA-N 322.474 3.853 0 40 DHAB Cc1ccc2nc3c(cc2c1)CN(Cc1cccs1)CCO3 72392464 OTKQURRPQCWRBN-UHFFFAOYSA-N 310.422 3.999 0 40 DHAB CO[C@@H]1CCCN(C(=O)c2ccccc2N(C)c2ccccc2)C1 76244844 JKEHJSNZYQQZHE-QGZVFWFLSA-N 324.424 3.706 0 40 DHAB O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)CCN2 78403654 NEGCEDOMQFTYOH-UHFFFAOYSA-N 324.405 3.609 0 40 DHAB COc1ccc(-c2nc(Cc3noc(-c4ccoc4)n3)co2)cc1 78593310 AWZAXVATPHWHBE-UHFFFAOYSA-N 323.308 3.584 0 40 DHAB CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1cccc(F)c1 78836623 DCGMSMMOELQIRY-UHFFFAOYSA-N 323.371 3.987 0 40 DHAB CN(Cc1cscn1)C(=O)c1ccc(Oc2ccccc2)o1 79013109 WGJHFODPHPGUBJ-UHFFFAOYSA-N 314.366 3.801 0 40 DHAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 84651715 RLGISGJQXBHHHP-MRVPVSSYSA-N 309.774 3.621 0 40 DHAB OCC1CCN(Cc2ccccc2NCc2cccs2)CC1 86257952 FFAMRYFSUJQIPJ-UHFFFAOYSA-N 316.470 3.565 0 40 DHAB FC(F)n1ccnc1CN1CCC(=Cc2ccccc2)CC1 89828178 SEELKNQBVJDXAC-UHFFFAOYSA-N 303.356 3.958 0 40 DHAB Nc1nc(Cl)cc(N2CCCC[C@@H]2CCc2ccccc2)n1 89830462 MYVZICJDIOIQDA-CQSZACIVSA-N 316.836 3.704 0 40 DHAB COc1ccc(NC(=O)[C@H](C)N[C@@H](C)C2CCCCC2)cc1 95404424 KBXOZDKGSSXJRM-KBPBESRZSA-N 304.434 3.581 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CCc2ccc(Br)cc21 95635147 YZEZLDIZHPBHGQ-LBPRGKRZSA-N 312.207 3.961 0 40 DHAB in-vitro C[C@@H](NC[C@@](C)(O)c1cccs1)c1cnc2ccsc2c1 95968310 LUBMEQVMYMOYGR-BDJLRTHQSA-N 318.467 3.916 0 40 DHAB c1cncc([C@H]2COC3(CCN(Cc4cccs4)CC3)C2)c1 96047768 AXUBFKKXWAPYIO-MRXNPFEDSA-N 314.454 3.682 0 40 DHAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccn2)c(C)c1 97236402 KGBMESAKYGXBID-UHFFFAOYSA-N 324.302 3.735 0 40 DHAB O=C1Nc2ccc(Br)cc2[C@H]1Cc1cccs1 101014715 ACYAMURIBWZSEF-LLVKDONJSA-N 308.200 3.789 0 40 DHAB COc1cc(C)ccc1N1C(=O)C[C@@H]([C@H](C)c2ccccc2)C1=O 101626435 MHGJUSXABUQKSX-ZBFHGGJFSA-N 323.392 3.687 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H]1C=NN=C12 118917953 ZOWUNTLIFRDPAL-JAFYXQTMSA-N 312.457 3.977 0 40 DHAB COC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 207763708 XSUBURYRTSEVRZ-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB O=C(OCc1ccc(F)cc1)c1snnc1-c1cccs1 223846894 QSEDUULCIXEHSG-UHFFFAOYSA-N 320.370 3.763 0 40 DHAB CCCNC(=O)c1ccc(Nc2cccc(Cl)c2)c(N)c1 225423417 MVIFVCLHYPMKQK-UHFFFAOYSA-N 303.793 3.806 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)Cc1ccccc1Cl 225439490 ZKVKYVMTFGTESX-MRXNPFEDSA-N 322.880 3.653 0 40 DHAB COCCC1(NC(=S)Nc2ccc(F)cc2F)CCCC1 225857430 UUNBLJVIWFAQBV-UHFFFAOYSA-N 314.401 3.601 0 40 DHAB C[C@@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1 226275728 HFHBSGLJOCQTLG-LLVKDONJSA-N 300.324 3.591 0 40 DHAB COc1ccccc1-c1nnc([C@H](C)N(C)Cc2ccccc2)o1 521393852 YRZCHKDPMAJJJR-AWEZNQCLSA-N 323.396 3.938 0 40 DHAB Cc1ccc2c(C)c(C(=O)NCCOc3ccccc3)oc2c1 526052289 RNDFBSZMMVKXRO-UHFFFAOYSA-N 309.365 3.858 0 40 DHAB Cc1cc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc(C)c1F 548477558 RUEQKXSJMRUBMJ-UHFFFAOYSA-N 318.373 3.725 0 40 DHAB CC(C)SCCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 572355216 KVHIXUWLNQYITC-QAQDUYKDSA-N 323.502 3.639 0 40 DHAB CC(C)[C@H]1CN(C(=O)c2nccnc2Cl)c2ccccc21 585129383 HXLPNRYOPLVKOC-GFCCVEGCSA-N 301.777 3.530 0 40 DHAB O=C(NCc1ccc(C2CC2)nc1)c1cccc(C(F)(F)F)c1 618256979 NMJQJKWXRQFVIM-UHFFFAOYSA-N 320.314 3.908 0 40 DHAB Cc1ccc(CCCN2C[C@]34CCCC[C@@]3(CN(C)C4)C2)cc1 1560237690 CPZULPQFOBZAHZ-NHCUHLMSSA-N 312.501 3.735 0 40 DHAB CC(C)C(=O)N[C@@H]1C[C@H](c2ccc(F)cc2)O[C@@H]2CCC[C@@H]12 2037774057 YEDCARXBTCIYID-YLFCFFPRSA-N 305.393 3.597 0 40 DHAB COc1ccc(-c2nc3ccccc3c(=O)n2CC(C)C)cc1 520019 AFYCFKKAJXWRSW-UHFFFAOYSA-N 308.381 3.728 0 40 DHAB CNC(=O)c1ccccc1[C@@H](c1ccccc1)C1(O)CCCCC1 1872857 CHRDZFQONKPORI-LJQANCHMSA-N 323.436 3.873 0 40 DHAB CN(Cc1ccccc1)C(=O)COc1cccc2ccccc12 3197310 UNEAYKUNTLTXHM-UHFFFAOYSA-N 305.377 3.877 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1Cl 3246717 ANIGFEIIDKFRPN-UHFFFAOYSA-N 318.756 3.908 0 40 DHAB Cc1ccc(-c2sc(-c3cccnc3)nc2CC(=O)O)cc1 3267992 CRXLLIBBAXYXBQ-UHFFFAOYSA-N 310.378 3.808 0 40 DHAB CN1CCN(c2ccc(-c3ccc4ccccc4n3)cc2)CC1 4051039 NFZVJHWAJYJGOY-UHFFFAOYSA-N 303.409 3.654 0 40 DHAB COc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1 5540680 WNVIIJRHOATNJY-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB COc1ccccc1OCCC(=O)Nc1cc(F)ccc1C 5959749 OAAGPMWFDKVWRG-UHFFFAOYSA-N 303.333 3.550 0 40 DHAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2F)cc1 6285043 HVQULVNKVHOKHG-GFCCVEGCSA-N 302.349 3.664 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 6554301 FJBNHQAHEZQFLF-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB CCc1ccc2oc(C(=O)Nc3ccc(C)cc3)cc(=O)c2c1 6811264 CMRWKDUQUMIQOX-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB CNc1nnc(SCc2coc(-c3cccs3)n2)s1 7102762 IZCYCLYUIFAQPQ-UHFFFAOYSA-N 310.429 3.589 0 40 DHAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1 7725765 WXDOPKOGGMGHSE-UHFFFAOYSA-N 324.380 3.822 0 40 DHAB COc1cccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)c1 7972884 JRDJVSOFAGRPEH-UHFFFAOYSA-N 324.302 3.765 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 8086382 LNJATJFLSAAGCR-YPMHNXCESA-N 300.427 3.658 0 40 DHAB O=C(NC1CC1)[C@@H](Oc1ccccc1Cl)c1ccccc1 8291106 DDKTVRQBUPJUKQ-INIZCTEOSA-N 301.773 3.739 0 40 DHAB CC(=O)c1cc(CCC(=O)Nc2cccc3cccnc23)oc1C 9606333 HUKJOHFYAKESIO-UHFFFAOYSA-N 322.364 3.910 0 40 DHAB CSCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 12919615 GJCVLLVCFKUIPA-UHFFFAOYSA-N 304.440 3.600 0 40 DHAB O=C(CSc1ccccc1)Nc1cc(C(=O)O)ccc1Cl 13167969 UDEAFYAAQSNZPI-UHFFFAOYSA-N 321.785 3.769 0 40 DHAB O=C1CCCN1c1ccc(CNCc2ccccc2Cl)cc1 15580731 PMTJXINFONEXAY-UHFFFAOYSA-N 314.816 3.757 0 40 DHAB O=C1N[C@H](c2ccc3c4c(cccc24)CC3)Nc2ccccc21 20244065 VTKSBEWQVOHRQK-LJQANCHMSA-N 300.361 3.793 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C 20450782 MORYWFDUJNHTQK-KRWDZBQOSA-N 301.361 3.608 0 40 DHAB COCc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 33190754 ORDIWFQOJHZKSY-UHFFFAOYSA-N 307.752 3.556 0 40 DHAB CC(=O)Oc1ccccc1C(=O)c1ccc(Br)cc1 43209761 XJAWYUDNVDPZJF-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB in-vitro Cc1cccc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)n1 46399280 CALQFXMHZCJNFB-UHFFFAOYSA-N 324.424 3.690 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NCc1ccccc1 49581113 MTFCVOVRLIBVAP-CVEARBPZSA-N 304.434 3.612 0 40 DHAB CC[C@@H](C)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 58210954 ZRHPYMGWXDLKGI-LLVKDONJSA-N 310.825 3.805 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 59227247 ICYSNHHPAJYRKV-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CCc1cc(=O)oc2cc(Oc3cc(Cl)nc(C)n3)ccc12 60342857 RXCVCWJDYUTISQ-UHFFFAOYSA-N 316.744 3.900 0 40 DHAB Cc1ccc(-c2nsc(C(=O)N3CCC[C@H](C)C3)c2N)cc1 62007071 KYOJJUUHDYZEBS-LBPRGKRZSA-N 315.442 3.573 0 40 DHAB Cc1cc(Cl)ccc1NC(=S)Nc1cccc(C(N)=O)c1 71760651 CBTDRUJKGFSQOM-UHFFFAOYSA-N 319.817 3.556 0 40 DHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2)cc1 71768901 ZNERMCZOKNJHJC-UHFFFAOYSA-N 305.381 3.569 0 40 DHAB CC[C@@H](C)N(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 71909589 FYXOHHSROZJWLS-DMZKTXOQSA-N 324.490 3.996 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)[C@@H](C)OC2CCCC2)n1 72283296 PQHLMNNJNQAQST-UKRRQHHQSA-N 322.474 3.853 0 40 DHAB c1ccc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 72389943 JPYKQRSWPVYZQC-KRWDZBQOSA-N 320.396 3.511 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)O[C@@H](C1CC1)C(F)(F)F 79063105 CTTMXOPLPBIDKP-HNNXBMFYSA-N 311.303 3.985 0 40 DHAB Cc1cccc(N2CCC(N[C@@H](C)Cc3ccsc3)CC2)n1 95422607 SMAOTQLODVHPAH-HNNXBMFYSA-N 315.486 3.641 0 40 DHAB COCc1cc(CN[C@@H](C)c2ccc3c(c2)OCO3)ccc1F 95422713 JVEIYRQRVXBXRH-LBPRGKRZSA-N 317.360 3.552 0 40 DHAB O=C(c1ccoc1)N1CCC(Oc2ccccc2Cl)CC1 95436382 NNQLHMWTAKXVSM-UHFFFAOYSA-N 305.761 3.617 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)C1=CCCC1 95965983 XEAVALOPLVHZPY-LJQANCHMSA-N 317.392 3.879 0 40 DHAB C[C@H](N[C@H]1COc2ccccc2C1)c1occc1Br 95967515 SPGGGQJUHNQYGV-CMPLNLGQSA-N 322.202 3.696 0 40 DHAB CC(C)c1cnc(S[C@@H](C(N)=O)c2ccccc2)n1C(C)C 96416349 RPNWIGIXEKVVOJ-OAHLLOKOSA-N 317.458 3.906 0 40 DHAB CC[C@@H](NC(=O)CCc1cscn1)c1cc(F)ccc1F 96419078 WMDQGFGCUTZURU-CQSZACIVSA-N 310.369 3.621 0 40 DHAB CC1=CC[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 100292227 GMKLHNRYWLFCTM-CHWSQXEVSA-N 309.287 3.551 0 40 DHAB CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(NCc1ccccc1)C2 100773888 SFSGQPRQMNUZTA-IAGOWNOFSA-N 316.445 3.707 0 40 DHAB C[C@H](NC(=S)NCCc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101616575 VZCDYBHTQQUKMM-SVGFKBNWSA-N 302.487 3.518 0 40 DHAB CCN1/C(=C2/N=C(c3ccccc3)OC2=O)C=Cc2ccccc21 102013409 MDIDZSVNYNEUFW-ISLYRVAYSA-N 316.360 3.755 0 40 DHAB C[C@H]1c2ccsc2CCN1C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 107327309 CDYQLXDRUQGLIE-MNXVOIDGSA-N 306.500 3.730 0 40 DHAB Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1C 107701859 OCWQXXMIVRBMGO-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccc(F)c(F)c2)C1 108486176 WPTUSCVGQBFGFQ-VZIIKCOPSA-N 315.429 3.695 0 40 DHAB CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC(C)(C)C 223177266 WUOSNFZFBYBPPY-INIZCTEOSA-N 318.461 3.509 0 40 DHAB Cc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 225001670 YSHDFEZANFGHKA-GJZGRUSLSA-N 322.880 3.746 0 40 DHAB O=C(CCc1ccc(Cl)cc1)NCCSCc1ccco1 225303346 WBIAQKOJZOOGJY-UHFFFAOYSA-N 323.845 3.915 0 40 DHAB CCCOc1c(I)ccc2cccnc12 225391481 UYKLPYNRKWOYAX-UHFFFAOYSA-N 313.138 3.628 0 40 DHAB O=S(=O)(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2c1 247355245 XMNUTAZIQGENFZ-JQFCIGGWSA-N 315.438 3.554 0 40 DHAB O=C(O)c1cn(Cc2ccc(Cl)c(Cl)c2)nc1C(F)F 408717445 AKVTZPVCFALWNF-UHFFFAOYSA-N 321.110 3.874 0 40 DHAB O=C(c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)Cl 575242766 HFGRZLSSUPQMDJ-UHFFFAOYSA-N 306.589 3.938 0 40 DHAB CSc1ccc([C@H](O)CNc2nc3cnccc3s2)cc1 1775971453 OROVTLCFGDLLJS-CYBMUJFWSA-N 317.439 3.559 0 40 DHAB CCC(CC)CN1CCc2c(COCC3CC3)cncc2C1 2055782269 YJYHKDAAJQOLJA-UHFFFAOYSA-N 302.462 3.803 0 40 DHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 47270 PLAIHLXOFKNFGZ-UHFFFAOYSA-N 302.761 3.859 0 40 DHAB CCCN(C(=O)C1CCC1)c1nnc(-c2cccc(F)c2)s1 1345486 RYCFPELOKHNPJT-UHFFFAOYSA-N 319.405 3.887 0 40 DHAB CCOc1ccc(Cc2noc3c2C(=O)CCC3)cc1OCC 1425472 IATQYJBLJRYGPK-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB Cc1cc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc1Cl 1469930 COZCCBGXWRWDCY-HOCLYGCPSA-N 319.832 3.739 0 40 DHAB O=C1O[C@H](C(=O)Nc2ccc3ccccc3c2)Cc2ccccc21 1887404 IBXVTKHQWODPLR-SFHVURJKSA-N 317.344 3.560 0 40 DHAB O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(F)cc1 3132962 LFVCCTHLMSUCNZ-UHFFFAOYSA-N 319.339 3.634 0 40 DHAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccsc1 3218173 MOOZZMIOGVKPRY-UHFFFAOYSA-N 317.410 3.596 0 40 DHAB CC(C)CCOc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 3264577 AKRIALZTTSWFFI-GOSISDBHSA-N 310.397 3.966 0 40 DHAB CN(C)c1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 3326074 FJENTOQDQCZBDK-UHFFFAOYSA-N 322.767 3.563 0 40 DHAB CCOc1ccccc1NCC(=O)Nc1ccc(Cl)cc1F 3398675 RAZCXDHMLOEBJF-UHFFFAOYSA-N 322.767 3.928 0 40 DHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccccc2Cl)c1 3507348 BIVJVMDGHOXYLQ-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CCOC(=O)[C@@H]1CN[C@H](c2ccccc2)C[C@@H]1c1ccccc1 3845404 VRGSYPCBWQRFQZ-QRVBRYPASA-N 309.409 3.684 0 40 DHAB biogenic O=C1Oc2ccc(O)cc2C1(c1ccccc1)c1ccccc1 4428280 SBOKTDICUARUIC-UHFFFAOYSA-N 302.329 3.646 0 40 DHAB N=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1nccs1 5346283 OYUNCDKRHXWRNZ-IYTUHVGOSA-N 321.814 3.852 0 40 DHAB COc1ccc2cc(C(=O)Nc3cnc4ccccc4c3)[nH]c2c1 5346939 AZKCSGTVHYWOIJ-UHFFFAOYSA-N 317.348 3.977 0 40 DHAB CC[C@H](C)[C@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 6555313 YLLWFPVPWZUFOD-DJJJIMSYSA-N 309.409 3.716 0 40 DHAB Cc1ccc(C(=O)CSc2nnc(-c3ccoc3C)o2)cc1 8752369 ZXTHQIVAZNFXAS-UHFFFAOYSA-N 314.366 3.921 0 40 DHAB CCOc1ncccc1C(=O)Nc1ccc(C(F)(F)F)cc1 9217132 UMOVPVKEAWHCHK-UHFFFAOYSA-N 310.275 3.751 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(NC(N)=O)c1 9364906 AFKFLOVMZVNRGQ-UHFFFAOYSA-N 311.385 3.861 0 40 DHAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc(C(C)C)n[nH]2)c1 9451583 NWFNTRHHCLVVGD-GFCCVEGCSA-N 303.431 3.908 0 40 DHAB Cc1ccc(NC(=O)NCCCc2nc3ccccc3[nH]2)cc1 10260975 CJLNGSQIFOJHGE-UHFFFAOYSA-N 308.385 3.626 0 40 DHAB CCN(CC)[C@H](CNC(=O)CC(C)C)c1ccccc1Cl 11917266 SCILFBXBIZNPMV-MRXNPFEDSA-N 310.869 3.885 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)c1cc(=O)[nH]c2ccccc12 12766335 YGKXCDRKUUYAFM-UHFFFAOYSA-N 316.719 3.573 0 40 DHAB Cc1cc(OCc2cc(=O)n3ccsc3n2)cc(C)c1Cl 13367466 XFHBIGUUORUDOG-UHFFFAOYSA-N 320.801 3.605 0 40 DHAB O=C(Nc1ccccc1)c1cccc(OCc2cscn2)c1 14020449 AQDSNNBJVFODSX-UHFFFAOYSA-N 310.378 3.974 0 40 DHAB Cc1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1C 14399275 ORHDXIRUVVOPPS-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB O=C1C[C@H](c2ccccc2O)Cc2c1cnn2-c1ccccc1F 17055966 BMRSJIFXWJDELA-GFCCVEGCSA-N 322.339 3.630 0 40 DHAB CCN1C(=O)Cc2cc(NC(=O)CCC3CCCC3)ccc21 17288828 UWVYKNAXQNHVPY-UHFFFAOYSA-N 300.402 3.505 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)c3cccc(C)c3)ccc21 17289114 KCHLJADMVUSNAK-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB Cc1cc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)on1 17992780 YFQPDHDGFQJOPF-UHFFFAOYSA-N 318.716 3.648 0 40 DHAB Cc1ccc(NC(=O)c2ccc(N)c(C)c2)c(Br)c1 19265299 JSFOBMCUHIDNKR-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB CCCC(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 20411773 JBGVSTVQACTINY-UHFFFAOYSA-N 306.387 3.600 0 40 DHAB Cc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235186 HSQHBJGCZHISAM-UHFFFAOYSA-N 318.376 3.508 0 40 DHAB COc1cc(C(=O)N[C@H](C)CCCC(C)C)cc(OC)c1C 22512190 CGBFJMUJSUPMRD-CYBMUJFWSA-N 307.434 3.957 0 40 DHAB O=C(CCCc1nc2ccccc2o1)NCCc1ccccc1 31808404 ONXFWHSIPNNYHO-UHFFFAOYSA-N 308.381 3.509 0 40 DHAB COc1ncccc1C(=O)N(Cc1ccco1)c1ccccc1 32760643 FRQWJKVOXHAOHS-UHFFFAOYSA-N 308.337 3.530 0 40 DHAB CCn1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cn1 32830575 JPTSANNSQQNBDU-UHFFFAOYSA-N 319.364 3.779 0 40 DHAB CC1(C)C[C@H](c2nn3c(-c4cccs4)nnc3s2)CCO1 36357755 KDJVQOKMZSMUAD-SECBINFHSA-N 320.443 3.587 0 40 DHAB C[C@@H](c1cccs1)N(C)Cc1nc(O)c2sccc2n1 36378407 FRRHVUCHVYJVNQ-VIFPVBQESA-N 305.428 3.651 0 40 DHAB Cc1ccc(C(=O)O)cc1NCc1ccc(Br)o1 37087524 YINGNFQMZBILBQ-UHFFFAOYSA-N 310.147 3.661 0 40 DHAB in-vitro CC(=O)c1ccc(NC(=O)N(Cc2cccc(O)c2)C2CC2)cc1 42748905 OGHQFHKPGPSCFI-UHFFFAOYSA-N 324.380 3.791 0 40 DHAB CCc1cc(Br)ccc1OCC[C@@H]1CCCNC1 42770198 MBFYWHWBQSQWJE-LBPRGKRZSA-N 312.251 3.780 0 40 DHAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 58354639 CMWKYWPZPGRYCU-ZJUUUORDSA-N 306.793 3.926 0 40 DHAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C1CCCCC1 66803765 TWRSDMNQPHGRJU-UHFFFAOYSA-N 324.428 3.800 0 40 DHAB COc1c(C)cc(C)cc1-c1nccn1C[C@H]1CCCOC1 71759298 UGKLUAAIJWJEKX-OAHLLOKOSA-N 300.402 3.602 0 40 DHAB CC(C)[C@H]1CN(C(=O)c2ccnc(Cl)c2)c2ccccc2N1 75092691 RTZKBNYALOLTIJ-CQSZACIVSA-N 315.804 3.832 0 40 DHAB COc1cccc(F)c1[C@@H](C)NC(=O)N(C)[C@H](C)c1ccco1 76088693 DKESAMLEJHRKHH-VXGBXAGGSA-N 320.364 3.891 0 40 DHAB O=C(Nc1nncs1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 78610978 XAJAVVYDZFGWAS-SFYZADRCSA-N 314.197 3.587 0 40 DHAB C[C@H]1C[C@@H](N[C@H]2CCc3[nH]ncc3C2)c2ccsc2S1 90455479 QXLKQBXMTODBIX-NURSFMCSSA-N 305.472 3.544 0 40 DHAB Cc1cc([C@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c(C)s1 95968570 GIEMTTHYQUQLEW-PWSUYJOCSA-N 305.491 3.997 0 40 DHAB Cc1c(O)cccc1C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 95979037 WGFINHDFYIKBFC-ADLMAVQZSA-N 313.372 3.893 0 40 DHAB CO[C@@](C)(CNC(=O)/C=C/c1ccccc1)c1ccccc1F 96123448 DEDDHYOERGEHFH-HYSAVQALSA-N 313.372 3.517 0 40 DHAB CC[C@@H](N[C@H](C)c1cc(OC)ccc1OC)c1ccncc1 96478339 UEZIAWQSUQRXAG-CXAGYDPISA-N 300.402 3.901 0 40 DHAB COc1ccc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)c(OC)c1 101666257 WLLSURNPUXUWFX-AWEZNQCLSA-N 317.772 3.636 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105700982 WWTOWJSXIYROPR-GMOBBJLQSA-N 313.228 3.943 0 40 DHAB COc1ccc(O[C@@H](Cc2c(C)cc(C)cc2C)C(=O)O)cc1 225136848 WOJWURCPHUZIOY-SFHVURJKSA-N 314.381 3.695 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@@H](O)CNC1CCCCC1)C2 226171407 SFEWGPJTCPCSHS-XPYUAMARSA-N 309.494 3.501 0 40 DHAB O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](OCC2CC2)C1 390832070 XALUUYCMWVTFNQ-LBPRGKRZSA-N 314.212 3.635 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)CN1CC2(CC2)c2ccccc21 548174132 CAYKKVBNRYQBQP-MRXNPFEDSA-N 320.436 3.758 0 40 DHAB Nc1nc[nH]c2ncc(-c3cccc(Oc4ccccc4)c3)c1-2 575332759 LTPKTFBBNPZUDG-UHFFFAOYSA-N 302.337 3.951 0 40 DHAB O[C@@H]1[C@@H](N2CCCCCCC2)CCC[C@H]1Oc1ccc(F)cc1 585289929 XXMURLXIFUMINL-IPMKNSEASA-N 321.436 3.753 0 40 DHAB O[C@H](CNc1ccccn1)Cn1c2ccccc2c2ccccc21 1565523822 XSAGWOMZQATCHE-OAHLLOKOSA-N 317.392 3.663 0 40 DHAB COc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1 265922 OVOKAOJXXISGGL-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB COc1ccccc1OCC(=O)Nc1cccc2ccccc12 510894 ASOYZFQTQMLHLC-UHFFFAOYSA-N 307.349 3.866 0 40 DHAB Cc1cc(C)cc(OCC(=O)NC2C3CC4CC(C3)CC2C4)c1 568788 ASIXRKYQQKJASB-UHFFFAOYSA-N 313.441 3.623 0 40 DHAB Cc1cc(C)c(-c2csc(NC(=O)c3cnccn3)n2)c(C)c1 2637469 DNIGNDIIFYHQAQ-UHFFFAOYSA-N 324.409 3.778 0 40 DHAB Cc1ccc(C)c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1 3334454 GIQGDQVBVRDNBQ-UHFFFAOYSA-N 324.424 3.631 0 40 DHAB C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(=N\N)CC[C@@]43C)[C@H]1CC/C2=N/N 4029082 PINUESXRWZTPOZ-FNFOQWDRSA-N 314.477 3.579 0 40 DHAB biogenic CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)NC2=O)cc1Cl 4695944 TVKFIFKCFCRHJY-LQGZHCLWSA-N 311.790 3.841 0 40 DHAB CC(C)[C@H](COC(=O)c1ccc(N)cc1)N[C@@H]1CCCC[C@H]1C 4825136 XTGSASTYPBHXBJ-OLMNPRSZSA-N 318.461 3.619 0 40 DHAB O=C(c1cccnc1-c1nc2ccccc2s1)N1CCCCC1 5451572 PJKHCSHZORIWQG-UHFFFAOYSA-N 323.421 3.984 0 40 DHAB COc1ccc(C(O)(c2ccccc2)c2ccccc2)c(OC)c1 5648020 LDHMGEJSLCOOEK-UHFFFAOYSA-N 320.388 3.988 0 40 DHAB CC1=NC[C@H](C)Nc2c1c(=O)n(-c1ccccc1)c1ccccc21 6199923 FWLQUSMXSOWPNL-ZDUSSCGKSA-N 317.392 3.614 0 40 DHAB CCSc1nnc([C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)o1 6934018 GJWKEFORDURVQH-NXEZZACHSA-N 315.439 3.794 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(F)c(F)c1 8244263 GEJBCHDTOPZWRU-UHFFFAOYSA-N 318.348 3.847 0 40 DHAB Cc1cc(C)c(NCc2cc(=O)n3c(C)csc3n2)c(C)c1 11040736 RXJAMGAGFQCKKY-UHFFFAOYSA-N 313.426 3.602 0 40 DHAB CCCOc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 11915434 UKSWUMHFFWGMDJ-GFCCVEGCSA-N 314.385 3.841 0 40 DHAB Cc1ccn2cc(-c3ccc4c(c3)CCN4C(=O)C(C)C)nc2c1 12088181 STPXCHLNFSHHAL-UHFFFAOYSA-N 319.408 3.855 0 40 DHAB Cc1cccc(CC(=O)NCc2cc(-c3cccs3)on2)c1 12235876 URECTYGTQWKCJX-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB Sc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1 12274155 ROXJWDQHGWQKQS-UHFFFAOYSA-N 310.407 3.809 0 40 DHAB Nc1cc(Cl)ccc1C(=O)OCc1cc(-c2ccco2)on1 12881908 HRRILVYBXYJPRC-UHFFFAOYSA-N 318.716 3.527 0 40 DHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(F)cc1 12932326 CTBPLHSRZDLEPP-UHFFFAOYSA-N 319.405 3.520 0 40 DHAB CCOc1ccccc1NC(=O)/C=C/c1ccc2c(c1)CCO2 13002004 UOCXGNUPZBJZNP-CSKARUKUSA-N 309.365 3.672 0 40 DHAB COc1ccc(NC(=O)N2CCCc3ccccc32)c(OC)c1 15934559 VMKCJRPLRPVMTD-UHFFFAOYSA-N 312.369 3.689 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1 16598637 FGBQFGQYRVVDCA-UHFFFAOYSA-N 316.376 3.933 0 40 DHAB COc1cccc(CNC(=S)Nc2cccc(Cl)c2)c1 18141453 WSXIURNOOXNRDP-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB CCn1cc(CN2CCCCC[C@H]2c2cc(C)on2)c(C)n1 19524549 KTKXNONDYYRDGG-KRWDZBQOSA-N 302.422 3.625 0 40 DHAB COc1ccc(CN2C(=O)CS[C@H]2c2cccs2)cc1 19927322 MWUUAVIDISPBAW-HNNXBMFYSA-N 305.424 3.531 0 40 DHAB CC(C)n1nccc1NC(=O)CCc1ncc(-c2ccccc2)o1 22292368 PSRBNNUFJXBSCG-UHFFFAOYSA-N 324.384 3.690 0 40 DHAB COc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 25312004 XYZMJGMIIUVGER-UONOGXRCSA-N 303.308 3.716 0 40 DHAB Cc1ccc([C@H](C)NC(=O)c2cc(C(F)(F)F)n[nH]2)c(C)c1 28306261 HPETVWQEFGCBCZ-JTQLQIEISA-N 311.307 3.536 0 40 DHAB O=c1oc2cc(Cl)ccc2n1Cc1cc(-c2ccco2)on1 32858369 NMGBYRAHNNOIEE-UHFFFAOYSA-N 316.700 3.544 0 40 DHAB O=C(Nc1onc2c1CSC2)C1(c2cccs2)CCCC1 38679829 JHWGBJRGRBFZAG-UHFFFAOYSA-N 320.439 3.933 0 40 DHAB CC(C)c1noc([C@H](C)Sc2nc(-c3ccccc3)n[nH]2)n1 40496515 JTPKRFBVSHJXRJ-JTQLQIEISA-N 315.402 3.831 0 40 DHAB COc1cccc([C@H]2CCCN2Cc2nnsc2Cl)c1 44895160 FWXJZDQNNGVBFP-CYBMUJFWSA-N 309.822 3.537 0 40 DHAB CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(F)c1 52267697 UQOUQMJBHGONDC-GFCCVEGCSA-N 317.364 3.891 0 40 DHAB CC(=O)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 53584304 ZDVVKAXCZIVAIH-UHFFFAOYSA-N 306.337 3.976 0 40 DHAB Cc1noc(C)c1C(=O)N[C@H](C)c1ccccc1C(F)(F)F 55672343 CEJXCMPSQXFUTB-MRVPVSSYSA-N 312.291 3.801 0 40 DHAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1OC 55675422 WXBSQAKGNNPJBO-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccnc2ccccc12 58047191 DBSKXYVDTGFFSD-SFHVURJKSA-N 321.405 3.994 0 40 DHAB Cc1ncc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)s1 58332760 CWTZWQDDSSCYKV-UHFFFAOYSA-N 316.304 3.645 0 40 DHAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccc(Cl)cc1 59244784 GPPBSEOAVVZDGW-UHFFFAOYSA-N 317.882 3.974 0 40 DHAB CC(C)(C)c1nc(CCNc2cccc(C(F)(F)F)c2)n[nH]1 62719310 OEYNTTQHFQNOOH-UHFFFAOYSA-N 312.339 3.776 0 40 DHAB CN(Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)ns1 65751577 HYMODKVZMPHLTE-UHFFFAOYSA-N 324.409 3.869 0 40 DHAB COc1ccc(/C=C/C(=O)N(C)c2cccc(C)c2)c(OC)c1 69351571 UKNAAYVCRXIPCC-PKNBQFBNSA-N 311.381 3.688 0 40 DHAB O=C(CSCc1ccc(F)cc1)NCCc1ccc(F)cc1 70667291 JXVJMYJGYKABDQ-UHFFFAOYSA-N 321.392 3.557 0 40 DHAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc2ccccc2n1 71121011 HJJDEUPJPMLYRX-UHFFFAOYSA-N 314.747 3.957 0 40 DHAB Cc1c(F)cccc1NC(=S)Nc1ccc2c(c1)OCCO2 71325986 QZBCUSYQBFPBNQ-UHFFFAOYSA-N 318.373 3.714 0 40 DHAB CCN(C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72212784 VKEYEUGNERIGHX-QGZVFWFLSA-N 309.413 3.515 0 40 DHAB COc1ccc(C[S@](=O)[C@H](C)c2ccc(F)cc2)cc1F 78556205 KAVLQGDDHVFIBV-WSVYEEACSA-N 310.365 3.983 0 40 DHAB C[C@@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)c1cccs1 78942367 NADPLPGPGFFUIC-GXFFZTMASA-N 321.471 3.759 0 40 DHAB Cc1nc(C(=O)Nc2cccnc2)c(-c2cccc(F)c2)s1 79502171 PXTYULGOXLPTES-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC[C@H](CNCc1ccc([S@](C)=O)cc1)c1ccccc1 85298537 KUTAHDNOOTYVIX-IIBYNOLFSA-N 301.455 3.707 0 40 DHAB CCOCc1ccc(NC(=O)NCc2nc(C)sc2C)cc1 89224181 YGXCFLHZZITRJY-UHFFFAOYSA-N 319.430 3.618 0 40 DHAB COCc1cc(CN[C@@H](C)c2ccccc2OC)ccc1F 95422707 SENBGZQEUWMVCG-ZDUSSCGKSA-N 303.377 3.832 0 40 DHAB C[C@@H](CNC(=O)N(C)C[C@@H](C)c1nccs1)c1cccs1 96009952 LVGXIDFNMZOWIS-NWDGAFQWSA-N 323.487 3.753 0 40 DHAB Cc1csc([C@@H](C)CNC(=O)N[C@H](C)Cc2cccs2)n1 97109802 FHTLSFAQYHGFME-WDEREUQCSA-N 323.487 3.547 0 40 DHAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccccc2)cc1 113969735 AKYAAORRGFXQDF-SFHVURJKSA-N 313.397 3.559 0 40 DHAB O=C(O)c1cc(OCc2ccc(Cl)cc2)cc(Cl)c1O 216752914 WMAXXERLNKRPMC-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB Cc1cccc(CCCNC(=O)COc2cccc(C)c2C)c1 222818586 JKPQAHHCCGWBQL-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB CCOc1ccc(C(=O)NC2CCCC2)cc1COC(C)C 224713253 AVLJQCQMGCHXQT-UHFFFAOYSA-N 305.418 3.683 0 40 DHAB COc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1 225410229 BFLNMHXEVKJIPU-UHFFFAOYSA-N 323.443 3.547 0 40 DHAB Cc1cccc(CCCNC(=O)Cc2ccccc2Cl)c1 225436814 BTBQMDWLPOPSIN-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCCC1 225572496 NOASRTXSHOUDAW-HNNXBMFYSA-N 303.402 3.604 0 40 DHAB Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CCN[C@@H]2CCC[C@@H]21 225717906 FUJSTKVKXGEKGI-DOADOZAASA-N 314.473 3.511 0 40 DHAB C[C@@H](NC(=O)c1snnc1-c1cccs1)c1ccccc1 225787246 LSRRWXMAFVPMPJ-SNVBAGLBSA-N 315.423 3.758 0 40 DHAB CCn1c(Cl)nc2cc(C(=O)NC3CCCCC3)ccc21 225987421 DNUWJOWZNIAIRS-UHFFFAOYSA-N 305.809 3.772 0 40 DHAB C[C@H]1CC[C@H]1COc1ccc(I)cc1 242718269 XHQQLNGLVKBORD-UWVGGRQHSA-N 302.155 3.716 0 40 DHAB O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1ccc(F)cc1 425317 RTHXGSZWBQCMSF-UHFFFAOYSA-N 320.776 3.900 0 40 DHAB Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)O2 1328391 ZHWLXJAAVIQDSW-GFCCVEGCSA-N 301.773 3.963 0 40 DHAB OCCCN1c2ccccc2Nc2nnc(-c3ccccc3)cc21 1792988 ZNQPBWPWNXLKKI-UHFFFAOYSA-N 318.380 3.721 0 40 DHAB O=C(Cc1ccccc1)c1ccccc1I 2392937 BTPSGRKMOFIPPW-UHFFFAOYSA-N 322.145 3.717 0 40 DHAB O=C(c1cccc(CN2CCCC2)c1)c1cc(F)c(F)c(F)c1 2515092 UDNPVRVMDISADN-UHFFFAOYSA-N 319.326 3.931 0 40 DHAB O=c1[nH]c(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2643697 BPJMCVFLVOZPRT-UHFFFAOYSA-N 302.786 3.794 0 40 DHAB O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1F 3182521 GJKUQQBMFAYRBP-SOFGYWHQSA-N 310.122 3.833 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)COC(=O)C2CCCC2)cc1 3238690 SWJOOBQHGDBMDP-ZDUSSCGKSA-N 303.402 3.872 0 40 DHAB O=C(COc1ccc(Br)cc1Cl)c1ccc[nH]1 3430871 YMICSLQPLLIGPD-UHFFFAOYSA-N 314.566 3.692 0 40 DHAB Cc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 4325730 NFDYOUTYVPTTHW-UHFFFAOYSA-N 312.350 3.586 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 4648594 SUWLVPXNQDMLSR-GMROUXNLSA-N 321.398 3.539 0 40 DHAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)o2)o1 4679409 SHGJFSDCLTUVEJ-UHFFFAOYSA-N 313.401 3.778 0 40 DHAB O=C1S/C(=C\c2ccccc2)C(=O)N1C(=O)c1ccccc1 5600304 PNXNXIYQZWURQC-KAMYIIQDSA-N 309.346 3.563 0 40 DHAB Cc1cc(S(=O)(=O)N2CCC(C)CC2)c(Cl)cc1Cl 5610745 PNCYOVWGEWBMAO-UHFFFAOYSA-N 322.257 3.722 0 40 DHAB CCc1cccc2c(C=O)cn(CC(=O)Nc3ccccc3)c12 6285793 WZDYKSHOCKMYIA-UHFFFAOYSA-N 306.365 3.655 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)Cc3cccs3)s2)cc1 7345120 HFQQQQMQBUXNDN-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB Cc1[nH]c2c(CN3C(=O)c4ccccc4C3=O)cc(F)cc2c1C 7636352 WQTFFBUUWILTBF-UHFFFAOYSA-N 322.339 3.720 0 40 DHAB Cc1ccc(N2C(=O)c3ccccc3N[C@@]23CCSC3)cc1 8427679 OOWQLPMLRKDDSG-SFHVURJKSA-N 310.422 3.901 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1OC 8499511 XWGCTIGBUZMELP-AWEZNQCLSA-N 303.333 3.630 0 40 DHAB CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(C)c1)c1cccs1 8755558 DJGVDBFHRRCGQY-OAHLLOKOSA-N 316.426 3.571 0 40 DHAB CCCCCn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 9926712 XOORYUJZOAUSPF-UHFFFAOYSA-N 314.429 3.859 0 40 DHAB CSc1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1 9949431 UPDCSBKYEVUGFG-BDJLRTHQSA-N 315.394 3.576 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)c1cc(F)cc(F)c1 10542328 OCSGUTLTYVGLER-UHFFFAOYSA-N 303.308 3.566 0 40 DHAB COc1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1OC 10776086 KRTSXZCDVWARNG-ZRDIBKRKSA-N 303.402 3.508 0 40 DHAB Cc1ccc2cccc(OCC(=O)NCCC3=CCCCC3)c2n1 12634417 JMZSAKIJTVNTFU-UHFFFAOYSA-N 324.424 3.929 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 12831191 DXJIDYYXUHVBTH-KRWDZBQOSA-N 311.406 3.853 0 40 DHAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCCC1 12883639 VSWSIBQREJIPNZ-LORHWOILSA-N 303.446 3.541 0 40 DHAB biogenic C[C@H]1C[C@@H](C)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 13056198 ZBHUGRFJYAQKHD-PHIMTYICSA-N 315.244 3.910 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 15648523 JSNXPLQKHIIKME-SUMWQHHRSA-N 301.361 3.861 0 40 DHAB CCCCOc1cccc(C(=O)Nc2cc(N)ccc2OC)c1 19736230 LHYNOUGVPGLDSP-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB O=C(Nc1cccc2ccccc12)c1ccc(-n2cccn2)nc1 19910381 DLMMCZVCZVDIEJ-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB CCc1ccc([C@@H]2SCC(=O)N2c2ncc(C)s2)cc1 19927010 VPSBJBVEECDZMG-AWEZNQCLSA-N 304.440 3.793 0 40 DHAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1C 22540306 ZSCLDNRGHMJKGZ-AWEZNQCLSA-N 321.417 3.790 0 40 DHAB CC(=O)c1sc(NC(=O)Nc2ccc(C)cc2C)nc1C 27925361 YEZKDQMRCWMZNO-UHFFFAOYSA-N 303.387 3.915 0 40 DHAB Cc1cccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1C 29482373 IKNWYLFINGALQV-LJQANCHMSA-N 308.425 3.861 0 40 DHAB CC(C)Cc1ccc([C@@H](NC(=O)c2cnn(C)c2)C(C)C)cc1 32769106 VLQHGSAIPXIPEK-SFHVURJKSA-N 313.445 3.746 0 40 DHAB O=C(O)c1ccccc1SC[C@H]1CCCN2CCCC[C@H]12 36056950 FUSMGHBUCDVHPC-UKRRQHHQSA-N 305.443 3.741 0 40 DHAB O=C(NCC1(c2cccs2)CCOCC1)Nc1cccs1 38489690 CRKPQXDNLHQMGU-UHFFFAOYSA-N 322.455 3.680 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)Nc1ccc2oc(O)nc2c1 40093939 PEGSBRQLYRIQBZ-UHFFFAOYSA-N 317.370 3.674 0 40 DHAB CCCOc1ccc([C@@H](C)NC(=O)c2ccoc2C)cc1OC 40121731 GIIMBBOSYZCRJR-GFCCVEGCSA-N 317.385 3.876 0 40 DHAB CCN(Cc1csc(-c2ncccn2)n1)Cc1ccccc1C 51536826 PGKPKOWSTQLCOX-UHFFFAOYSA-N 324.453 3.931 0 40 DHAB CCOc1ccccc1CNC(=O)c1cc(Cl)ccc1F 53163982 DDJWXEIIONOEQX-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB Cc1ccc(SCCNC(=O)CCc2ccccc2F)cc1 61046824 QGKBWSMEHIMIIG-UHFFFAOYSA-N 317.429 3.975 0 40 DHAB FC(F)Sc1ccc(CN2CCCN3CCC[C@@H]3C2)cc1 65541827 JYICKEVLCLBWDX-CQSZACIVSA-N 312.429 3.671 0 40 DHAB CCSc1cncc(N2CC[C@H](c3ccc(OC)cc3)C2)n1 68696474 XPKBEXLCHCBVMX-AWEZNQCLSA-N 315.442 3.591 0 40 DHAB Cc1ccc2nc(SCc3nc(-c4ccncc4)no3)[nH]c2c1 69660562 AUGOSVKLQSJYQS-UHFFFAOYSA-N 323.381 3.609 0 40 DHAB CCC(CC)C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 72233710 KSTJLTJITQNUBD-UONOGXRCSA-N 313.438 3.913 0 40 DHAB CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2cc(C)ccc2C)C1 76068745 OJUOBLSTJBTCCS-HOTGVXAUSA-N 320.502 3.848 0 40 DHAB CCc1cnc(CNC(=O)Nc2cccc([C@@H](C)OC)c2)s1 76070311 RNHKSRCTHMFGNE-LLVKDONJSA-N 319.430 3.735 0 40 DHAB C[C@@H](C1CC1)N(C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 79949731 AMRCHEXOZFYEQS-STQMWFEESA-N 308.853 3.590 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N(C)Cc2cccc(O)c2)c(C)s1 79997204 BZYRUAOJMMPEIF-GFCCVEGCSA-N 318.442 3.973 0 40 DHAB c1ccc(-c2cnc(COc3ccc(-n4cncn4)cc3)o2)cc1 84563066 QPOCAHNRDDTAKL-UHFFFAOYSA-N 318.336 3.501 0 40 DHAB CC(=O)N(Cc1ccc(NCc2ccsc2)cc1)C1CC1 95429190 RWGKGRVUHMRMEL-UHFFFAOYSA-N 300.427 3.871 0 40 DHAB Cc1ncccc1CNc1ccccc1N1C[C@H](C)O[C@@H](C)C1 95448632 SBKXJOCPEGOHHM-GJZGRUSLSA-N 311.429 3.616 0 40 DHAB Cc1cc(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)sc1C 95451965 AFBCCGKBHASJPF-UHFFFAOYSA-N 311.447 3.557 0 40 DHAB O=C1CCc2ccc(NCc3c[nH]nc3-c3ccccc3)cc2N1 95971957 MASVWSWVTSKHKI-UHFFFAOYSA-N 318.380 3.574 0 40 DHAB OCC1CCN(c2ccccc2NCc2ccsc2)CC1 95995858 VAAZRGOJTLYQTR-UHFFFAOYSA-N 302.443 3.569 0 40 DHAB Cc1nc([C@H]2C[C@@H]3CCN(Cc4ccoc4)C[C@H]3O2)sc1C 96046102 KRWNDGNDVJNABQ-ARFHVFGLSA-N 318.442 3.705 0 40 DHAB Cc1ccc(CN2CCN(CC3CC3)c3ncccc3C2)s1 96060973 MDCNJKFBUCAMAH-UHFFFAOYSA-N 313.470 3.684 0 40 DHAB CC(C)c1cnc(COc2cccc(NC(=O)C3CC3)c2)o1 96428922 KRWQBWNQMJTJKM-UHFFFAOYSA-N 300.358 3.726 0 40 DHAB CC(C)(C)c1cc(NC(=O)NCc2ncc(C(C)(C)C)o2)no1 96445960 KFLCMFMKJNLSAL-UHFFFAOYSA-N 320.393 3.579 0 40 DHAB COC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1C 102596519 UHVVEARQIVVNGF-SDDRHHMPSA-N 307.415 3.526 0 40 DHAB C[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 102864149 BODPWXQMNACCCN-GZOSKZMVSA-N 324.424 3.825 0 40 DHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 113942766 FYGRRMJCWXSLRE-KBPBESRZSA-N 301.361 3.779 0 40 DHAB C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H]2CCCOC2)cs1 193744021 RFWNFMUGLMERKT-MNOVXSKESA-N 312.435 3.623 0 40 DHAB Nc1nnc(-c2cccc(OCc3ccc(F)cc3Cl)c2)o1 216801198 UGRQWIPXLKPFEB-UHFFFAOYSA-N 319.723 3.690 0 40 DHAB CCOc1cccc(CNC(=O)Cc2ccc(Cl)cc2F)c1 223677281 QKNGOIOPOYHWIZ-UHFFFAOYSA-N 321.779 3.737 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)o2)c(N)c1 226301267 YJVKPWWXQAGWQK-OKILXGFUSA-N 312.413 3.955 0 40 DHAB CC(=O)c1c(F)c(Br)cc(C(F)(F)F)c1F 258830243 FJEAXHPNEPJULT-UHFFFAOYSA-N 303.024 3.949 0 40 DHAB C[C@H](NC[C@H]1CCSC1)c1nc2ccccc2n1C(F)F 585079624 NNBAZWWVTZYVBS-WDEREUQCSA-N 311.401 3.835 0 40 DHAB CCN(Cc1ccc(C(=O)Nc2c[nH]nc2Cl)cc1)C(C)C 585080864 WMIGMKSVRATFGU-UHFFFAOYSA-N 320.824 3.546 0 40 DHAB CCC1(c2ccccc2)CN(C(=O)CC[C@H]2CC(C)(C)CO2)C1 1556963796 FPOULPCKNBVZGT-KRWDZBQOSA-N 315.457 3.772 0 40 DHAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2ccccc12 51910 WWVWFUPBCXZCCD-QGZVFWFLSA-N 324.424 3.815 0 40 DHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(C)C 419256 KASUFVNGELKSAR-UHFFFAOYSA-N 305.447 3.934 0 40 DHAB C[C@@]12C[C@@H](NC(=O)N1c1cc(F)ccc1F)c1ccccc1O2 422980 OFCJRBVQXGKLMM-CXAGYDPISA-N 316.307 3.734 0 40 DHAB Cc1cc2n(n1)[C@@H](c1ccc(C(=O)O)cc1)Nc1ccccc1-2 817653 UJUBXJFGLIKHAW-KRWDZBQOSA-N 305.337 3.529 0 40 DHAB O=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 1453067 ITKCHXKCMQGZJP-AWEZNQCLSA-N 301.342 3.637 0 40 DHAB COc1cccc([C@H]2CCCC[C@H]2SCC(=O)O)c1OC 1592189 DHPFBNZORFLLJT-BXUZGUMPSA-N 310.415 3.548 0 40 DHAB C[C@H](CN1c2ccccc2Sc2ccccc21)N(C)CCO 1667887 OVBCYALNGQQYRZ-CQSZACIVSA-N 314.454 3.602 0 40 DHAB CCCCO[P@@](C)(=O)OC[C@H]1CCCN2CCCC[C@H]12 1816953 MHYQTYYTGDIMIE-STXHMFSFSA-N 303.383 3.907 0 40 DHAB biogenic O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1 3224891 RRDKICRJLYIOHP-DHZHZOJOSA-N 315.756 3.535 0 40 DHAB O=c1c2ccccc2[nH]c(=S)n1CCc1ccc(Cl)cc1 3252770 HIZSHIFPGKUEFO-UHFFFAOYSA-N 316.813 3.955 0 40 DHAB Cc1cccc(/C=C/c2nn3c(-c4cccnc4)nnc3s2)c1 4540211 NSIPKKVLWSEGCZ-BQYQJAHWSA-N 319.393 3.727 0 40 DHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCC[C@H](C)C1 6355904 JHQZQXQDMVUSSM-GVDBMIGSSA-N 305.462 3.672 0 40 DHAB O=C(NCCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 6505676 BLUQXJRKSSVHJU-UHFFFAOYSA-N 311.278 3.817 0 40 DHAB CCCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 6629561 LICWQXPQNCMDMO-NTCAYCPXSA-N 318.442 3.979 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(F)cc2s1 6852272 UWXHVSDOVKJJHD-JTQLQIEISA-N 316.357 3.841 0 40 DHAB CCOc1ccc(OC[C@@H](O)CN[C@@H](C)CCCC(C)C)cc1 6935693 UYGDJVDSLOZSTR-IRXDYDNUSA-N 323.477 3.629 0 40 DHAB Cc1ccn2cc(C(=O)Nc3ccc(Cl)cc3F)nc2c1 8281333 LIIIYPOJVOLLSF-UHFFFAOYSA-N 303.724 3.688 0 40 DHAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)C1CCCC1 11613679 LODZTVOWZQHGFO-UHFFFAOYSA-N 307.296 3.853 0 40 DHAB Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)nc(C)n1 12016606 ROEINTXJNCWQDD-UHFFFAOYSA-N 321.833 3.786 0 40 DHAB COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 12085385 AWCDBPOHAKXSBK-SQGPQFPESA-N 324.424 3.522 0 40 DHAB O=C(c1ccccn1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12180973 VDGSZCNWIVMSDQ-ZXFUBFMLSA-N 310.372 3.772 0 40 DHAB O=C(NC1CCCCCC1)c1c[nH]c(=S)n1-c1ccccc1 12534126 LIGRJCWVGZHVDZ-UHFFFAOYSA-N 315.442 3.987 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1F 12992964 KFIOMGKATZIDAA-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1c(C(=O)Nn2cn[nH]c2=S)oc2c1ccc1ccccc12 14169453 RAPBPTAWUBFISP-UHFFFAOYSA-N 324.365 3.532 0 40 DHAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 16101144 JZUYJYKKLOUOSJ-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB CN(CCCNC(=O)c1cc2ccccc2o1)c1ccccc1 17826732 HVWMQRGNKNSEPL-UHFFFAOYSA-N 308.381 3.689 0 40 DHAB CC(C)(C)c1ccc(CCC(=O)NCCc2ccccn2)cc1 21183722 XZQMTSBTYRJNGT-UHFFFAOYSA-N 310.441 3.671 0 40 DHAB COC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 22116911 JPNBLFMJUKRKMR-UHFFFAOYSA-N 324.405 3.804 0 40 DHAB C[C@@H](NC(=O)c1ccccc1F)c1ccc(OC(F)F)cc1 24831235 MOVZECFBAGTQAR-SNVBAGLBSA-N 309.287 3.918 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc(C)n1 27975725 ZTIMBWIGCIMULA-KRWDZBQOSA-N 310.397 3.675 0 40 DHAB CCc1ccc(S(=O)(=O)Nc2cccc3cnccc23)cc1 28248463 IMUSACRGLKOOKD-UHFFFAOYSA-N 312.394 3.598 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(O)c(Cl)c1 28642953 UQEGIUFQTRXDQV-OAHLLOKOSA-N 301.773 3.853 0 40 DHAB CC(C)[C@H](NC(=O)CN1C[C@@H](C)C[C@@H](C)C1)c1cccs1 29596996 GHQSAUPEWUARBG-VBQJREDUSA-N 308.491 3.539 0 40 DHAB CCCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1 35314918 AEMXTHPTBWZHSF-UHFFFAOYSA-N 323.440 3.752 0 40 DHAB CCc1cc(C(=O)Nc2cc(C)cc(C)c2)c2c(C)noc2n1 36621590 NCLXGONNCCNNKN-UHFFFAOYSA-N 309.369 3.963 0 40 DHAB O=C(NCc1cccs1)Nc1nc(-c2ccccn2)cs1 36709322 QDVHHVURGSRCNX-UHFFFAOYSA-N 316.411 3.588 0 40 DHAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3c3ccsc3)cc12 48225301 KRJJYFSYAIJVQM-CQSZACIVSA-N 313.382 3.570 0 40 DHAB C[C@H]1CCc2sc(C(=O)N(C)Cc3cccnc3)cc2C1 49944993 WWVINSXRLQQKRN-LBPRGKRZSA-N 300.427 3.540 0 40 DHAB CCN(CC)Cc1ccc(C(=O)N[C@@H]2CCc3ccccc32)o1 53476522 FLLLRUXCUUSFJU-QGZVFWFLSA-N 312.413 3.539 0 40 DHAB C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)Cc1ccccc1 55267756 SVMMNRULFLMETL-ZDUSSCGKSA-N 323.845 3.863 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)NCc2ccc(Cl)cc2)cc1 57406009 MQSSCFXUBRLKDJ-CYBMUJFWSA-N 302.805 3.765 0 40 DHAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@@H]1c1cccs1 65434078 YLSKVBYGJXJZIR-GXTWGEPZSA-N 304.415 3.819 0 40 DHAB O=C(CSCc1csc(-c2ccco2)n1)NCC1CCC1 66586047 CKJOPMSEVPAOOU-UHFFFAOYSA-N 322.455 3.553 0 40 DHAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)C)c(F)c1 71283310 ABRVKPCBTZNCPP-GFCCVEGCSA-N 303.337 3.735 0 40 DHAB Cc1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3)c[nH]2)c(C)o1 71850052 HMJUQDGSNVXAIE-GFCCVEGCSA-N 309.369 3.778 0 40 DHAB CN(C)c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1N 72229327 HDZARLIQURVAAM-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB CCOc1c(F)cccc1C(=O)N(c1cccnc1)C(C)C 74724073 WXGBVURXDJVPQF-UHFFFAOYSA-N 302.349 3.675 0 40 DHAB O=C(CCc1cccs1)N(CC(F)(F)F)c1ccccn1 79336473 CWDKFJXJVHZEKR-UHFFFAOYSA-N 314.332 3.671 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)ns2)cc1 84128911 GJCDXXSUJFWMOK-AWEZNQCLSA-N 317.414 3.829 0 40 DHAB CSc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1F 89657277 AJUMDVKCZNIXLQ-UHFFFAOYSA-N 317.432 3.718 0 40 DHAB c1cc(OC2CCCC2)cc(-c2nc([C@@H]3CCOC3)no2)c1 89780682 PMPRPYMAPMWDNL-CYBMUJFWSA-N 300.358 3.562 0 40 DHAB CC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CC)c1ccccc1 89948730 VIWZZVRNMLIZDL-ZYSHUDEJSA-N 314.473 3.764 0 40 DHAB Cc1noc(C)c1N(C)C(=O)CCc1c[nH]c2c(C)cccc12 96448286 IRVLGQSJCQNEBZ-UHFFFAOYSA-N 311.385 3.677 0 40 DHAB CC(C)c1nnc(CN[C@H](C)c2ncc(-c3ccccc3)o2)o1 97112340 BDEMKIHLPVRKNE-GFCCVEGCSA-N 312.373 3.699 0 40 DHAB Cc1cccc(NC(=O)N(Cc2cccnc2)Cc2ccco2)n1 97142717 AULBGOVJJXANCB-UHFFFAOYSA-N 322.368 3.612 0 40 DHAB CCO[C@@H](C)c1nc(CN(C)[C@H](C)c2ccncc2)cs1 108090780 ZQHLQRRYGUGAFO-OLZOCXBDSA-N 305.447 3.829 0 40 DHAB C[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@H]1O2)c1csc2ccccc12 108105632 UFXWALSGDLIUJM-IDTSFGKNSA-N 316.426 3.581 0 40 DHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113954708 FGLOMJVAZHMBEL-HWMZRRJGSA-N 301.430 3.882 0 40 DHAB Cc1ccnc(Nc2cccc(I)c2)c1 199714434 GAWADSTVPHZVMG-UHFFFAOYSA-N 310.138 3.738 0 40 DHAB COc1ccc(SCC(=O)Nc2ccc(C)cc2)cc1OC 216437046 WADYMQVOSMWTCB-UHFFFAOYSA-N 317.410 3.743 0 40 DHAB COc1ccccc1N1CC(Nc2cc(C)ccc2C)=CC1=O 217424459 UYNNJMZIJKACFL-UHFFFAOYSA-N 308.381 3.655 0 40 DHAB Cc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1 222759914 WNOZGMMZEZHKOO-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB CCS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 223026008 IYANJBXRXXSFAD-UHFFFAOYSA-N 311.790 3.894 0 40 DHAB CCOc1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1 224031719 SWRXPPMONPRJBG-UHFFFAOYSA-N 313.397 3.511 0 40 DHAB CCc1ccc(CC(=O)NCCCOC2CCCCC2)cc1 224729687 GVTPLUSQQTYWOF-UHFFFAOYSA-N 303.446 3.647 0 40 DHAB O=C(CCc1ccc(F)cc1)NCCSCc1ccccc1 225885345 CYVVLIXYGNHBMT-UHFFFAOYSA-N 317.429 3.808 0 40 DHAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)nc1C 225897564 SZEBPFPRFSZMDI-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3Cl)O[C@H]2C1 242463882 DPFJHPUYYLYPEL-XJKSGUPXSA-N 309.793 3.575 0 40 DHAB O=C([C@H]1CC=CCC1)N1CC[C@H](Oc2cccc3cccnc23)C1 244955870 GCUVLOSREFPWGY-IRXDYDNUSA-N 322.408 3.571 0 40 DHAB CCOC(=O)CN(C(=O)c1ccccc1)c1c(C)cccc1C 255189358 PHKHEIAUJZVMHP-UHFFFAOYSA-N 311.381 3.513 0 40 DHAB Cc1cn(C)c([C@H]2CCN(Cc3ccc(F)cc3Cl)C2)n1 257230678 GDJUGRDRQCIECZ-ZDUSSCGKSA-N 307.800 3.511 0 40 DHAB CC(C)N1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1 2055750913 LPGQOGBUSQFTNF-UHFFFAOYSA-N 306.494 3.680 0 40 DHAB CCOc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1 45501 DNJOVPJGEXWXKB-UHFFFAOYSA-N 312.394 3.937 0 40 DHAB CC(C)(C)c1ccc(OCC(=O)NCCc2ccccc2)cc1 101105 DNIMCVZRMVBBBR-UHFFFAOYSA-N 311.425 3.722 0 40 DHAB O=c1c2c3c(sc2ncn1-c1ccc(Cl)cc1)CCCC3 528642 ZJTIRQYMAYEJMN-UHFFFAOYSA-N 316.813 3.979 0 40 DHAB O=C1N(c2ccc(Cl)cc2)[C@H](c2ccccc2)N2CCCN12 545758 HMGQLPXMYWDKTK-MRXNPFEDSA-N 313.788 3.902 0 40 DHAB O=S(=O)(Nc1c(F)cccc1F)c1ccc2ccccc2c1 582021 NAGLAMGBNUGTPO-UHFFFAOYSA-N 319.332 3.919 0 40 DHAB COc1cc([C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc(OC)c1OC 1595294 QKGPVQNLHHPWQV-KBPBESRZSA-N 320.385 3.627 0 40 DHAB CCc1ccc(OCCCCn2c(CO)nc3ccccc32)cc1 1926896 HILCMEXXASPQPX-UHFFFAOYSA-N 324.424 3.950 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 2820190 ICSOSXBQUWNACL-OGXIQJDLSA-N 322.191 3.695 0 40 DHAB O=C(Cc1ccc(Br)cc1)NC1CCCCCC1 4508183 VNVUQDNNYXGPBZ-UHFFFAOYSA-N 310.235 3.831 0 40 DHAB O=C1c2ccccc2[C@]2(c3ccccc3)C=NN[C@]12c1ccccc1 5052004 CNUBOASBXXWUIX-FGZHOGPDSA-N 324.383 3.654 0 40 DHAB CCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21 5545949 DCYRCEMTBBSUCX-UHFFFAOYSA-N 315.461 3.931 0 40 DHAB COc1cc(C)c(NC(=O)/C=C/c2ccc(C)cc2)cc1OC 5616537 RYAOZCJFWOTLNU-MDZDMXLPSA-N 311.381 3.973 0 40 DHAB C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=O)ccc2O1 5747859 JXRYRJADFWVJKD-CYBMUJFWSA-N 304.349 3.675 0 40 DHAB CCCCCOc1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cc1 6888011 KWNMOXZRLQSIPE-UHFFFAOYSA-N 323.396 3.806 0 40 DHAB Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 7929068 QZEFAYIJOXWLAO-INIZCTEOSA-N 323.392 3.570 0 40 DHAB O=C1CCCN1c1ccc(-c2csc(N3CCCC3)n2)cc1 8296872 LKYPLHWNLIHBEJ-UHFFFAOYSA-N 313.426 3.537 0 40 DHAB O=C(O)c1ccccc1OCCCN1CCCc2ccccc21 8703250 FZXCZSVXSCWKSS-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB CCc1ccc(NC(=O)c2cnn(-c3ccccn3)c2CC)cc1 8715226 NEXHXNQUTBCGJF-UHFFFAOYSA-N 320.396 3.644 0 40 DHAB C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccco1 8751505 FLKKYVXHTBGGHG-ZDUSSCGKSA-N 321.380 3.834 0 40 DHAB CC(C)Sc1nnc(NC(=O)/C=C/c2ccccc2)s1 8792835 HUWRPVHQMGZXJE-CMDGGOBGSA-N 305.428 3.691 0 40 DHAB Cc1ccc(C2(NCc3ccnn3[C@@H]3CCCCO3)CC2)cc1 12238731 VKYZIBSAOHSTBU-SFHVURJKSA-N 311.429 3.670 0 40 DHAB Cc1ccccc1[C@@](C)(O)Cc1nccn1Cc1ccccc1 13281782 PYOMJEQDMMMXAA-FQEVSTJZSA-N 306.409 3.690 0 40 DHAB CC(C)Nc1nnc(S[C@@H](C)C(=O)c2ccccc2)s1 14113190 NDBQFHYDSGPVJH-JTQLQIEISA-N 307.444 3.722 0 40 DHAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 14206370 YPCTVFLBCJZZRT-UHFFFAOYSA-N 307.353 3.646 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1cccc2ncccc12 14897114 ORZSZLRSHMPNCE-UHFFFAOYSA-N 303.321 3.557 0 40 DHAB COc1cccc(NC(=O)CSCc2cccc(F)c2F)c1 15497108 DHOVABVQPILCLJ-UHFFFAOYSA-N 323.364 3.845 0 40 DHAB C[C@H](NC(=O)NCCc1ccccc1)c1cccc(Cl)c1 17115782 MOYXQUPKSNMVFM-ZDUSSCGKSA-N 302.805 3.943 0 40 DHAB O=C(NCC1(N2CCCCC2)CCCCC1)Nc1ccccc1 18177771 CIGZCYAVAVPWQM-UHFFFAOYSA-N 315.461 3.997 0 40 DHAB CC(C)c1nc2nc(C(F)(F)F)nn2c(N)c1-c1ccccc1 20638435 MHXDECPZWSEFJO-UHFFFAOYSA-N 321.306 3.516 0 40 DHAB Cc1cccc(OCCNC(=O)c2cc(C)nc3ccccc23)c1 21785334 YHJRFXZHBLYNPR-UHFFFAOYSA-N 320.392 3.660 0 40 DHAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1cccs1 22913861 WBRWSSWTRMNKBW-KRWDZBQOSA-N 315.486 3.630 0 40 DHAB CC(C)N(CCNC(=O)C1(c2ccc(Cl)cc2)CC1)C(C)C 27456640 PMUKXOVNYBUEOC-UHFFFAOYSA-N 322.880 3.607 0 40 DHAB Nc1nc2c(s1)[C@H](c1cccc(Br)c1)CC(O)=N2 32090701 HZKUBEKJYCYOOQ-QMMMGPOBSA-N 324.203 3.611 0 40 DHAB Cc1cc(C)c2c(C)c(C(=O)NCCCOC(C)C)sc2n1 32148796 CWEDVUGTQFJOGH-UHFFFAOYSA-N 320.458 3.766 0 40 DHAB Cc1ccsc1CN(C)C(=O)NCCCOc1ccccc1 40071314 VJRVKIVJOPPYGN-UHFFFAOYSA-N 318.442 3.667 0 40 DHAB O=C(Nc1nncs1)N[C@H](c1ccccc1)C1CCCC1 40150508 YPHLNPKDDNCWJM-CYBMUJFWSA-N 302.403 3.591 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccc(F)cc2)c1 40866246 AIAWGPFRUKNGTN-VMPITWQZSA-N 313.372 3.651 0 40 DHAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(Cl)c(F)c1 43212660 WDZCEYVBCZPERK-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB Cc1cc(C)cc(N(C)C(=O)c2cc3ccccc3oc2=O)c1 55898008 SKPLPHOFGQPXIY-UHFFFAOYSA-N 307.349 3.686 0 40 DHAB C[C@@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2)c[nH]1 58201854 AEMDZIGKIVJITJ-GFCCVEGCSA-N 309.344 3.707 0 40 DHAB COC[C@@H](C)c1nc(-c2ccc(N3CCCC3=O)cc2)cs1 58355546 YICSMJKGAVOABD-GFCCVEGCSA-N 316.426 3.687 0 40 DHAB Cc1cc(C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)on1 65492264 CKAHQZFXQCNXBB-CYBMUJFWSA-N 313.401 3.595 0 40 DHAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1ccc[nH]1 65515489 NNAGUNGURQXQKN-UHFFFAOYSA-N 310.328 3.985 0 40 DHAB CCc1sc(C(=O)Nc2nnc(CC(C)C)s2)cc1C 69158180 ZGIJTJOKDYOLSQ-UHFFFAOYSA-N 309.460 3.921 0 40 DHAB Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(F)cc2)n1 69218428 VPCVJVXHBAWZSO-WDEREUQCSA-N 307.394 3.712 0 40 DHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(C)c1C 69385001 DDOMSKWMFNWAQH-AEFFLSMTSA-N 311.429 3.527 0 40 DHAB CCC[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)OCC 71921903 MSVGAPRLCDMMAG-GFCCVEGCSA-N 306.387 3.561 0 40 DHAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccccc1Cl 72286766 JWMQEEHCVJSCLC-NRFANRHFSA-N 321.829 3.779 0 40 DHAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1 72343479 YGICTQDVZKMGGF-CYBMUJFWSA-N 316.470 3.678 0 40 DHAB Cc1nc(C(C)(C)NC(=O)[C@@]2(C)CC2(Cl)Cl)sc1C 76476386 CYORRXRYBBYJEU-GFCCVEGCSA-N 321.273 3.695 0 40 DHAB CC(C)c1ccc([C@H](NC(=O)NC2CCOCC2)C(C)C)cc1 80086668 JWWKNFDALRAECU-GOSISDBHSA-N 318.461 3.985 0 40 DHAB C[S@](=O)c1ccc(NCc2cccc3cccnc23)cc1F 95429305 ZISYPUBDAWMDSS-JOCHJYFZSA-N 314.385 3.723 0 40 DHAB Cc1cc(C)c(C)c(OC(=O)c2cccc(C3OCCO3)c2)c1 95452839 OFCZKFXRAKYBPM-UHFFFAOYSA-N 312.365 3.876 0 40 DHAB C[C@@H](NC[C@@]1(C)CCCS1)c1cccc(N2CCOC2=O)c1 95969317 DXRGLGVREAZBFF-CXAGYDPISA-N 320.458 3.580 0 40 DHAB CC[C@@H](Cc1cccs1)N[C@H](C(=O)OC)c1ccccc1 97143562 SIKGULZRAPRYIX-HOCLYGCPSA-N 303.427 3.573 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4cccc(Cl)c4)C[C@@H]1CC[C@@]23C 101780180 CQZAMSSVBQSDID-SPOWBLRKSA-N 305.805 3.874 0 40 DHAB C[C@H](NC(=O)c1cc(-c2cccs2)on1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988451 PUSWQNOSDFODDA-LOWDOPEQSA-N 316.426 3.958 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2ccccn2)cs1 102312870 VSWGQYYTVBZMHR-RWMBFGLXSA-N 313.426 3.970 0 40 DHAB CCN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C1CC1 104237283 QHJWZJMQYQNARO-UHFFFAOYSA-N 322.408 3.588 0 40 DHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 223481332 UTURLWFNFLFXNL-AWEZNQCLSA-N 315.388 3.953 0 40 DHAB COc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225638012 PQDCRMFTKLHRPI-KPZWWZAWSA-N 305.418 3.846 0 40 DHAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cccc2cccnc12 226785680 OEJDKVCNPMDTTD-KRWDZBQOSA-N 321.405 3.994 0 40 DHAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 248380751 RCEYFYWIRNYBBS-DNUAJFIVSA-N 309.409 3.912 0 40 DHAB CCc1nccn1Cc1ccc(-c2ccccc2C(=O)O)cc1 257249430 JIHNYYFSZLOXQA-UHFFFAOYSA-N 306.365 3.859 0 40 DHAB FCc1cc2ccc(I)cc2nc1Cl 685937402 TVTOACFTFNWOEJ-UHFFFAOYSA-N 321.520 3.962 0 40 DHAB O=C(CSCc1ccc2nsnc2c1)Nc1ccccc1 53846 SXVLZBBSLUCSLU-UHFFFAOYSA-N 315.423 3.563 0 40 DHAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)c(C)c3)cc2c1 105734 SYBBTLZRSZMOKX-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB NC(=O)c1sc2nc(C3CC3)cc(-c3cccs3)c2c1N 180391 SAFJHRFKZSOHQY-UHFFFAOYSA-N 315.423 3.583 0 40 DHAB Oc1ccc(Cc2ccc(O)c3ncccc23)c2cccnc12 231934 FKGLQHRCVKTDFC-UHFFFAOYSA-N 302.333 3.785 0 40 DHAB biogenic CCOc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 304869 BXMXRHFXWJRBJM-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB CCOc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1OC 575122 SBTJQYGCMSRSMC-RVDMUPIBSA-N 309.365 3.611 0 40 DHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3ccccc3c2)C1 1456708 VQDCMAQZEHDHCB-KBPBESRZSA-N 303.427 3.506 0 40 DHAB Cc1c([C@H](CC(=O)c2ccccc2)C(=O)O)c2ccccc2n1C 1669595 XGUUQXUGNXOCLX-INIZCTEOSA-N 321.376 3.928 0 40 DHAB Cc1cccc(OCCC(=O)N[C@@H]2CCCc3ccccc32)c1 2635589 RFDQWOORCNUDNB-LJQANCHMSA-N 309.409 3.958 0 40 DHAB Cc1cc(C)cc(NC(=O)CSc2ncnc3ccccc23)c1 3246400 IUZZUBDAZJGPCY-UHFFFAOYSA-N 323.421 3.977 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccs1 3379369 MLWXAEGZIOYXCP-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CS2 3450966 MUIBFMYWYSJMHZ-LBPRGKRZSA-N 320.458 3.675 0 40 DHAB Cc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 3481327 DVJOGYFWEXRUBR-QGZVFWFLSA-N 311.381 3.805 0 40 DHAB CCCCOc1ccc(C(=O)O[C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 3902196 RIKXLROQYQSOHV-DAYGRLMNSA-N 319.445 3.751 0 40 DHAB Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1ccco1)C2 4912803 BKTVAGCHZGSVFM-GFCCVEGCSA-N 315.369 3.642 0 40 DHAB COc1ccc2scc(N3C[C@H](C)C[C@@H](C)C3)c(=O)c2c1 5202576 DLVHUKMWIIOQNP-VXGBXAGGSA-N 303.427 3.752 0 40 DHAB Cc1c(F)c(F)c(N2N=C(C(C)(C)C)CC2=O)c(F)c1F 5212021 ZYDVKZDJSCHBLG-UHFFFAOYSA-N 302.271 3.690 0 40 DHAB CC(C)/N=C1\S/C(=C/c2ccccc2F)C(=O)N1C(C)C 6325028 APGDPVUJUSVZIA-WZMAMLOKSA-N 306.406 3.915 0 40 DHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 6376350 FANCHMZDQIDRQW-UHFFFAOYSA-N 315.678 3.775 0 40 DHAB Cc1ccc(Nc2nc(C(=O)N3CCCC3)cs2)cc1C 6613882 QKFDGFKOLBAHEQ-UHFFFAOYSA-N 301.415 3.740 0 40 DHAB O=C(COc1ccc2ccccc2c1)Nc1nc2c(s1)CCC2 8184595 RHVVBHYGDZVAHB-UHFFFAOYSA-N 324.405 3.803 0 40 DHAB Cc1cccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c1 8959225 VCJPKBJZCOZEOZ-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB O=C(Cc1ccccc1)Nc1nnc(-c2cccc(Cl)c2)o1 12514990 PQRGBSMXWHRVPA-UHFFFAOYSA-N 313.744 3.571 0 40 DHAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1C 12744291 CMLGGHADVVJTDO-GOSISDBHSA-N 310.397 3.516 0 40 DHAB COc1cc(C(=O)N2CCc3ccccc32)cc(Cl)c1OC 12757171 OIKUCMJEMAIUHN-UHFFFAOYSA-N 317.772 3.560 0 40 DHAB C[C@H]1CCCC[C@H]1NC1=NN=C(c2ccc(F)c(F)c2)CS1 12797621 ZXNLMFGPQIXCCO-IINYFYTJSA-N 323.412 3.940 0 40 DHAB Cc1nnc2sc([C@@H](C)c3ccc(CC(C)C)cc3)nn12 13681092 UZRATLXUWSGNPC-NSHDSACASA-N 300.431 3.845 0 40 DHAB CCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 13704614 RIKXLROQYQSOHV-IIDMSEBBSA-N 319.445 3.751 0 40 DHAB S=c1n(C2CC2)cnn1CN1CCC[C@@H]1c1cccs1 14184663 KCFRLFAPYAEURG-GFCCVEGCSA-N 306.460 3.605 0 40 DHAB Cc1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19287293 GPJVPSKSFOPVDH-ZRNYENFQSA-N 307.441 3.847 0 40 DHAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCc1ccccc1 19934169 VIKOKISPRXPDQE-MRXNPFEDSA-N 311.425 3.936 0 40 DHAB CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OC)cc1 21836472 WTFMPWJUDAXNIX-KRWDZBQOSA-N 301.361 3.644 0 40 DHAB COCc1cccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 23548345 IAGPSHFHVFKVGZ-NSHDSACASA-N 305.324 3.602 0 40 DHAB O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc2ncccc12 23890467 MANOTXAMMBUYSC-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB Cc1nnc(COC(=O)c2ccc(-c3ccccc3Cl)o2)o1 24222239 WRUJLVOACZYQEK-UHFFFAOYSA-N 318.716 3.648 0 40 DHAB CC(C)(C)C1=N/C(=C\c2csc(Br)c2)C(=O)O1 26433778 WXKQDTOLUZVMOU-YWEYNIOJSA-N 314.204 3.853 0 40 DHAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)Nc1ccccc1F 32937711 JLXVEKYWFJFSLU-UHFFFAOYSA-N 310.332 3.538 0 40 DHAB CC(C)[C@H](NC(=O)C[C@H](N)c1ccccc1)c1cccs1 37031194 FHQXRTLBKQJZHF-YOEHRIQHSA-N 302.443 3.652 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1F 37108990 PJDMGBVPCPXCDR-GOSISDBHSA-N 324.330 3.879 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)Nc1ccccc1F 38696670 ZENHKPBFVXWGDX-UHFFFAOYSA-N 313.332 3.597 0 40 DHAB COc1cccc(CN(C)CCOc2cccc(C)c2)c1OC 40161696 NBPWIJHSHZGCMP-UHFFFAOYSA-N 315.413 3.523 0 40 DHAB CCCCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 41267316 WKQOCODYHSZKSN-UHFFFAOYSA-N 322.364 3.616 0 40 DHAB O=C(C1CCC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42759870 IAYPWLJNWZDOFX-UHFFFAOYSA-N 318.804 3.987 0 40 DHAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1C1CCCC1 56033957 XRAMOBQEINIYSQ-MRXNPFEDSA-N 311.381 3.588 0 40 DHAB Cc1cc(NC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)no1 56342108 ZEIKDDCMLYXSDL-LLVKDONJSA-N 310.357 3.616 0 40 DHAB COc1ncccc1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 60205368 VFCBIXJWXARGJZ-MRXNPFEDSA-N 310.397 3.633 0 40 DHAB Cc1ncsc1C(=O)Nc1cnccc1Oc1ccccc1 65590485 KCOLOVKMRLPWBT-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB O=C(Nc1cccc2cccnc12)N1CCC[C@H]1c1ccc[nH]1 65804596 NVDJFTLQFUKSAB-INIZCTEOSA-N 306.369 3.932 0 40 DHAB O=C(Nc1cccc(-n2cccn2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 67052782 REIQLSUTOZDVPO-MSOLQXFVSA-N 321.355 3.754 0 40 DHAB O=C(Nc1cnc2ccccc2c1)N(Cc1ccccn1)C1CC1 69976808 ROPBNQRRUYYXJK-UHFFFAOYSA-N 318.380 3.826 0 40 DHAB CN(C)c1cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)ccn1 71935250 BSBJAFKJROXWGJ-LJQANCHMSA-N 323.440 3.809 0 40 DHAB CCCN(CCC)c1ccc(CNC(=O)OC(C)(C)C)cn1 72225274 NCMYDVIGLUCQQN-UHFFFAOYSA-N 307.438 3.733 0 40 DHAB CC(C)N1CCC[C@@H](Cc2cccc(Br)n2)CC1 72343841 DIUMGBUTROKTHS-CYBMUJFWSA-N 311.267 3.897 0 40 DHAB COc1cccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)c1 75142857 KCWPLTOXVJSTAU-UHFFFAOYSA-N 319.430 3.825 0 40 DHAB C[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccc(F)c(Cl)c1 79030819 IGBKSUXYZCQIOI-SNVBAGLBSA-N 322.767 3.583 0 40 DHAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H]1C1CCCCC1 84358407 QKKSGOSZKAEFFB-MRXNPFEDSA-N 315.413 3.643 0 40 DHAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2F)CC1 84544369 SQTPQFKIWLOFIR-IAGOWNOFSA-N 319.420 3.593 0 40 DHAB O=C(NCc1ccsc1)N(Cc1ccccc1)CC(F)F 89832531 ZFFBLMGRQCEGDC-UHFFFAOYSA-N 310.369 3.725 0 40 DHAB CCCn1nc(C)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1C 95413903 TZGZNQYIYHPNQE-UHFFFAOYSA-N 323.400 3.552 0 40 DHAB CC(=O)N(CCc1nc(-c2ccc(C)s2)cs1)C(C)C 95439146 VOHFOJFQPJIUMK-UHFFFAOYSA-N 308.472 3.979 0 40 DHAB Cc1cc([C@@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c(C)s1 95968569 GIEMTTHYQUQLEW-ZYHUDNBSSA-N 305.491 3.997 0 40 DHAB Cc1cc(CNCc2cccc(-c3nnc[nH]3)c2)ccc1Cl 96002092 YMMDTMXISZEPSB-UHFFFAOYSA-N 312.804 3.723 0 40 DHAB Clc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1 96113198 KYJLZDCFCBZTOC-GOSISDBHSA-N 317.816 3.620 0 40 DHAB biogenic,in-vitro CCCCc1ccc(-c2csc(CS(C)(=O)=O)n2)cc1 96417545 JMNHYIHSNYFKEE-UHFFFAOYSA-N 309.456 3.697 0 40 DHAB CCOCc1ccccc1NC(=O)N[C@H]1CC(C)(C)OC1(C)C 96496483 UZQSAMAYSRLYFH-HNNXBMFYSA-N 320.433 3.691 0 40 DHAB Cc1cccc(CN[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 100809712 IZTBYOBQQOPEHY-CALCHBBNSA-N 318.461 3.921 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c(C)c1 101275512 MUYXERXQYIBQOR-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1Cl 102222168 ZMOMTSYVMWLGBA-RWMBFGLXSA-N 321.804 3.648 0 40 DHAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1NC(C)C 183277261 SWUCYAXBMFWLDU-SNVBAGLBSA-N 318.396 3.728 0 40 DHAB O=C(Cc1cccnc1)N1CCCC[C@H](c2ccc(F)cc2)C1 206874944 BCKAYCCHTGUDEN-KRWDZBQOSA-N 312.388 3.560 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1cccc(C)c1)c1ccccc1 216247947 OCBDVNJLOJTYRN-QGZVFWFLSA-N 303.427 3.566 0 40 DHAB CCc1ccc(O[C@@H](CC)C(=O)NCCc2ccccc2)cc1 222871006 CUEBBANNSCQJCY-IBGZPJMESA-N 311.425 3.765 0 40 DHAB CCCC[C@](C)(OC)C(=O)Nc1cnc(OCCC)c(C)c1 225886084 LSQHFVXWBLRELA-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CCCOc1ccc(NC(=O)C(C)(C)OCC)c2cccnc12 225892608 GRAIVMIAHRRFET-UHFFFAOYSA-N 316.401 3.777 0 40 DHAB COc1ccc(OC)c(-c2nc(O)c3c(C)c(C)sc3n2)c1 408735383 QZXLJHXNAZUADI-UHFFFAOYSA-N 316.382 3.698 0 40 DHAB Cc1cc(CN(C)Cc2cc3ccnc(Cl)c3s2)no1 585136757 RHXMOISSIMEOMZ-UHFFFAOYSA-N 307.806 3.878 0 40 DHAB CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12 51909 WWVWFUPBCXZCCD-KRWDZBQOSA-N 324.424 3.815 0 40 DHAB CCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 417774 RZWZQIJPTUXFNV-AWEZNQCLSA-N 316.426 3.732 0 40 DHAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccccc1Cl 1993668 NNFDJQPSUUZDPR-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB Cc1cccc(N2C(=O)S[C@H](Nc3ccc(F)cc3)C2=O)c1 4270199 DFHNCRLHXUIMIF-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)C1CCCCC1 4276223 KHDPTAWREFUMOD-UHFFFAOYSA-N 311.794 3.970 0 40 DHAB CCc1ccccc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)O 4651525 QPNIHUYGLPWINJ-LSDHHAIUSA-N 301.386 3.635 0 40 DHAB CCSc1ccccc1C(=O)NCc1ccccc1OC 4725030 YMNKPBXVCGJTSW-UHFFFAOYSA-N 301.411 3.737 0 40 DHAB CC[C@H]1CCCCN1CC(=O)c1c[nH]c2cc(OC)ccc12 5217327 VTKIURCEIWAMDE-ZDUSSCGKSA-N 300.402 3.624 0 40 DHAB COC(=O)c1ccccc1C[C@@H]1Cc2cc3c(cc2C1=O)CCC3 6003322 QPIUDTVBNKEUGK-QGZVFWFLSA-N 320.388 3.560 0 40 DHAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1 6049163 DIXHZMVEALLANA-UHFFFAOYSA-N 304.411 3.690 0 40 DHAB COc1ccc(OC)c(-c2csc(NC(=O)C(C)(C)C)n2)c1 6186690 NUQDTYFGRLYXJA-UHFFFAOYSA-N 320.414 3.812 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(OC)c1 6232029 NMYWZCBDDQRQNW-QGZVFWFLSA-N 311.381 3.511 0 40 DHAB CCc1ccccc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 6286324 DRDVQKLKFTYONY-UHFFFAOYSA-N 320.392 3.963 0 40 DHAB COc1ccc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 6586968 KHOFEGFUVSUGRY-LLVKDONJSA-N 312.394 3.785 0 40 DHAB CCOc1ccccc1C(=O)OCc1ccc(-n2cccn2)cc1 7254421 SZFBKIQHENDTRS-UHFFFAOYSA-N 322.364 3.628 0 40 DHAB C[C@@H](O)CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7524714 IHWHFSQVJXLOJS-SECBINFHSA-N 300.185 3.724 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2F)c1 7961370 WJRJBBKJYRUAEV-UHFFFAOYSA-N 321.735 3.826 0 40 DHAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 8087804 RCHJJSHACLNHAK-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 8157247 AGCOAHGGNWGKBU-MRXNPFEDSA-N 313.401 3.547 0 40 DHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)O 8214998 VYVGVNHDYKXAIG-LBPRGKRZSA-N 315.394 3.645 0 40 DHAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 8216879 SITOGCRYHCBKHG-INIZCTEOSA-N 322.408 3.549 0 40 DHAB COc1ccc(CC(=O)Nc2cccc(Cl)c2)c(OC)c1 8274730 ODKQEPAJNPLXRH-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB COc1ccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1 9456161 LCFVNOIINZDKFO-UHFFFAOYSA-N 324.361 3.920 0 40 DHAB O=C(NOCc1ccccc1)c1cc(Cl)nc2ccccc12 10318994 XVTGOWVWAJXAIA-UHFFFAOYSA-N 312.756 3.750 0 40 DHAB COc1ccccc1CNC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C 12925618 NBAAOINLIHZLLM-STQMWFEESA-N 311.381 3.510 0 40 DHAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(-c2ccccc2)cc1 12945747 RSNFTEIWHNKSNE-CQSZACIVSA-N 318.376 3.533 0 40 DHAB CCc1nc2sc3c(c2c2n[nH]c(=S)n12)CC[C@@H](C)C3 13535022 VIDVXNZCSQTCLW-SSDOTTSWSA-N 304.444 3.689 0 40 DHAB Fc1ccccc1Nc1nnc(SC[C@@H]2CCCO2)s1 14023555 ZQVNWMGUSXMGDW-VIFPVBQESA-N 311.407 3.692 0 40 DHAB CCc1ccc(NC(=O)Cn2c(CC)nc3ccccc32)cc1 14795900 WLDVDIHMMLNMMR-UHFFFAOYSA-N 307.397 3.800 0 40 DHAB Cc1c(F)cccc1NC(=O)Cn1cc(C=O)c2ccccc21 17032085 AWKRKCQJMIJTOL-UHFFFAOYSA-N 310.328 3.540 0 40 DHAB O=C(NCCc1csc(-c2ccccn2)n1)Nc1ccccc1 19942327 SGOAEDXIJCWIFL-UHFFFAOYSA-N 324.409 3.569 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20141679 BMKMYWULZMWTFP-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc1 21596441 VHQSDNXFCRLNOB-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB CCCCc1oc2ccccc2c1CN(C)C(=O)c1cnccn1 23953401 QZTBOIBGYHFZEM-UHFFFAOYSA-N 323.396 3.838 0 40 DHAB CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 28879201 RIMJDRLTCDMEEI-SFHVURJKSA-N 321.424 3.502 0 40 DHAB CC[C@H]1CN(C(=O)C2c3ccccc3Oc3ccccc32)CCO1 30856899 RSLYAGOYJCZNSP-AWEZNQCLSA-N 323.392 3.562 0 40 DHAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N(CC)CC 31903908 RNUHKQAJTGCCTA-UHFFFAOYSA-N 313.463 3.513 0 40 DHAB C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccccc1 32931197 SCLVDGCWRFGNPG-LBPRGKRZSA-N 320.795 3.734 0 40 DHAB CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 33028946 IHXACGYPPGLOPZ-UXHICEINSA-N 324.468 3.989 0 40 DHAB CC(C)(C)c1noc(CCCC(=O)NC2CCCCCC2)n1 33148163 HRMHCLVVRXJVQU-UHFFFAOYSA-N 307.438 3.529 0 40 DHAB COc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 38834168 NTZRXOHLFICHDD-KRWDZBQOSA-N 324.424 3.546 0 40 DHAB O=C(Nc1cccc2cccnc12)N1CCC[C@H]1c1ccncc1 43529326 UVNKGMJVEICGDI-KRWDZBQOSA-N 318.380 3.999 0 40 DHAB Cc1cc(NC(=O)CSCc2c(F)cccc2Cl)no1 48391821 QRGZSDLRTGRIFU-UHFFFAOYSA-N 314.769 3.647 0 40 DHAB Cn1c([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21 54666835 UOHKMYXZEVVFRK-CRAIPNDOSA-N 323.440 3.983 0 40 DHAB CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2o1 58282521 XWLXFFSYXYPEAS-CYBMUJFWSA-N 313.397 3.834 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)C[C@H](C)CCc1ccccc1 58405149 GJSDUVSYGMAZNF-SJLPKXTDSA-N 303.446 3.530 0 40 DHAB CCc1ccc(-c2n[nH]c(SCc3nc(C)c(C)o3)n2)cc1 63416171 MBNBTTXORIGZLX-UHFFFAOYSA-N 314.414 3.931 0 40 DHAB Cc1ccc(-c2noc(CN3CCC[C@H]3c3ccc[nH]3)n2)cc1 65607216 BMYFVCWSHQQKIH-INIZCTEOSA-N 308.385 3.710 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2ccccc2C)ccc1F 66489614 CYPLYKFHHBIACC-UHFFFAOYSA-N 302.305 3.565 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2sccc2C2CC2)c1 67125604 MKFYEFRXSVSQHB-UHFFFAOYSA-N 300.383 3.836 0 40 DHAB c1ccc2c(SCc3noc(-c4ccoc4)n3)nncc2c1 69557456 OBIPUCOHHBSQMN-UHFFFAOYSA-N 310.338 3.565 0 40 DHAB Cc1ccccc1NC(=O)NCCCn1ncc2ccccc21 72239472 YOBFOSULKJBYIO-UHFFFAOYSA-N 308.385 3.557 0 40 DHAB CCc1cccc(N(C#N)CC(=O)Nc2cccc(Cl)c2)c1 75107679 UJBUHYSIXMZBKR-UHFFFAOYSA-N 313.788 3.829 0 40 DHAB O=C(Nc1cc(C(F)(F)F)ccc1O)[C@@H]1C[C@H]1c1cccnc1 81458868 YCSXCYYIRZGKQK-NWDGAFQWSA-N 322.286 3.548 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)COc2ccc(Cl)cc2)cc1 82087223 RSMHVPCSUAUKSG-CYBMUJFWSA-N 303.789 3.846 0 40 DHAB O=C(NC[C@H](O)c1ccsc1)c1c(Cl)cccc1Cl 89768017 YNUFRQRMOOAUQT-NSHDSACASA-N 316.209 3.518 0 40 DHAB Cc1ccc(-c2nc(N3CCCCC3)sc2CC(=O)O)cc1 95097093 GCLSHAOEAVCXKY-UHFFFAOYSA-N 316.426 3.736 0 40 DHAB CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)cc1 95426568 DAPJPDOTQASNJM-IBGZPJMESA-N 310.441 3.547 0 40 DHAB CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(CC)s1 95969210 NNYNWSWCPRHXCT-DGCLKSJQSA-N 304.463 3.650 0 40 DHAB O=C(Nc1cnn(C2CCOCC2)c1)Nc1ccccc1Cl 96104617 JALWXAWFYNQWIW-UHFFFAOYSA-N 320.780 3.532 0 40 DHAB CN(C)Cc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1 96410957 WDXOIDZEMTWUTJ-INIZCTEOSA-N 312.438 3.576 0 40 DHAB CC(C)c1ccc(S[C@@H]2CCN(C3CCOCC3)C2=O)cc1 96447691 JZKOWLNSXYGUOC-QGZVFWFLSA-N 319.470 3.682 0 40 DHAB O=C(CCc1ccccn1)N[C@@H]1CC2(CCC2)Oc2ccccc21 96466181 JLWAEPUORSYZCT-QGZVFWFLSA-N 322.408 3.577 0 40 DHAB Cc1ccccc1COC1CCN(Cc2cncs2)CC1 97050913 KPMHXJIPOCZYQY-UHFFFAOYSA-N 302.443 3.633 0 40 DHAB C[C@H](NC(=O)c1cc(-c2cccs2)on1)[C@@H]1C[C@H]2CC[C@H]1C2 103154323 PUSWQNOSDFODDA-CYDGBPFRSA-N 316.426 3.958 0 40 DHAB C[C@H](O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 226273016 CPVSGSPXQZFWSB-JTQLQIEISA-N 320.186 3.755 0 40 DHAB CNc1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1 257224397 FBQYTRCIJIQLDC-KRWDZBQOSA-N 320.396 3.582 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 257229789 FZMFVWAWOAYUEK-CQSZACIVSA-N 323.396 3.793 0 40 DHAB CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2)C1=O 409112578 FBORDXDJFJMQKU-RVDMUPIBSA-N 312.394 3.842 0 40 DHAB NC(=O)/C=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 409416249 RFIXVVPWLNVCFT-ALCCZGGFSA-N 305.736 3.557 0 40 DHAB CCC(CC)CN1CCC[C@@]2(C1)CN(CC1CCCCC1)C2=O 585099604 SDPHFZWCUMULQT-HXUWFJFHSA-N 320.521 3.927 0 40 DHAB O=C(/C=C/c1ccco1)NC[C@H](c1ccco1)c1cccs1 585146830 WSYVRAVZWYOVHG-HSBSLETESA-N 313.378 3.896 0 40 DHAB Cc1ncnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1C 881803047 XVFLTHBFDHUKST-CQSZACIVSA-N 308.385 3.619 0 40 DHAB Cc1ccc(Cc2nnc(NC(=O)c3cccs3)s2)cc1 128417 VJCCGAJNCDBWSI-UHFFFAOYSA-N 315.423 3.751 0 40 DHAB Cc1ccc2c(c1)[nH]c1c(N3CCc4ccccc4C3)ncnc12 542902 BVZPONOZDHTFCV-UHFFFAOYSA-N 314.392 3.982 0 40 DHAB CCNc1nc(Oc2ccc(OC)cc2)cc(C(F)(F)F)n1 1396705 SWFOZZQXXOWHAW-UHFFFAOYSA-N 313.279 3.728 0 40 DHAB CN(C)CC[C@H](CCc1ccccc1)OC(=O)c1ccccc1 5573050 CURSGSSOOSTNLO-IBGZPJMESA-N 311.425 3.797 0 40 DHAB O=C(NC1CCCCC1)N(Cc1ccccn1)Cc1ccco1 6400575 DUXGWNBSKLUUBD-UHFFFAOYSA-N 313.401 3.719 0 40 DHAB O=C(CCOc1ccccc1)Nc1ccccc1N1CCCC1 6553379 BZFHUONCKZPINB-UHFFFAOYSA-N 310.397 3.694 0 40 DHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc(C)c1C 8704665 JYXABTZRFZIILC-UHFFFAOYSA-N 320.392 3.759 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1nc(-c2ccccc2)cs1 9140379 BKIIIXMVJFMXGW-UHFFFAOYSA-N 319.455 3.669 0 40 DHAB CCOc1ccc(C(=S)NCc2ccc(C)cc2)cc1OC 9188162 VOVFKZHGGXQEJB-UHFFFAOYSA-N 315.438 3.868 0 40 DHAB Cc1cccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1 12112963 GVKVINJELRNYME-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB O=C1Nc2ccccc2[C@@H]1Cc1ccc(OC(F)(F)F)cc1 12961005 LPTRWCKPIUHTFU-ZDUSSCGKSA-N 307.271 3.864 0 40 DHAB COC(=O)c1cccc(OC(=O)c2cc3c(s2)CCCC3)c1 13141601 OVRMETXPZDYDSR-UHFFFAOYSA-N 316.378 3.633 0 40 DHAB Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)o1 13331820 LKIHGRXSPQNSPQ-UHFFFAOYSA-N 318.804 3.512 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1cccc(C)c1 14023401 UUNOWCJFTTVMLV-JXMROGBWSA-N 324.380 3.614 0 40 DHAB Cc1cccc2c3c([nH]c12)CCN(C[C@@H](O)c1cccs1)C3 19236586 OYRKXBJTODMRPL-MRXNPFEDSA-N 312.438 3.630 0 40 DHAB COc1cc(OC)cc(C(=O)N2CCc3sccc3[C@@H]2C)c1 30547482 YXHIRVATLINPFL-NSHDSACASA-N 317.410 3.525 0 40 DHAB CCOc1ccc([C@H](O)CN(C)Cc2ccccc2)cc1Cl 31911881 OMDIBWATEJSJEB-QGZVFWFLSA-N 319.832 3.904 0 40 DHAB Cc1ccc(SCCNC(=O)N(C)Cc2ccccc2)cc1 32863403 XPZHPDIRTHRYCC-UHFFFAOYSA-N 314.454 3.929 0 40 DHAB Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccccc3)n2)c1 35316248 MDKYRRIQXHAQJS-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 38666504 MGVRBYARKBPNBP-GFCCVEGCSA-N 321.833 3.520 0 40 DHAB Cc1ncsc1C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 40107457 UKGORCVFUDSUIF-IINYFYTJSA-N 316.426 3.973 0 40 DHAB COc1ccc(C(=O)c2ccccc2)cc1NC(=O)C(C)(C)C 41365884 WYKUFJGYLRKSDR-UHFFFAOYSA-N 311.381 3.911 0 40 DHAB COc1cc(C)c(NC(=O)N[C@@H](C)c2cccs2)cc1OC 43405161 LZIDSAVQKMDJCW-NSHDSACASA-N 320.414 3.956 0 40 DHAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 44948353 DGEPYQCIYSIOEF-UHFFFAOYSA-N 324.424 3.562 0 40 DHAB Cc1cc2ccccc2n1CC(=O)N1c2ccccc2C[C@H]1C 48290672 SCTRUEOZJLZTEC-OAHLLOKOSA-N 304.393 3.928 0 40 DHAB COCc1ccccc1NCC(=O)Nc1cc(Cl)ccc1F 55849031 QCRPYYWAXNHTAM-UHFFFAOYSA-N 322.767 3.676 0 40 DHAB COc1ccc([C@@H](NCc2nc(C)no2)c2ccc(C)cc2)cc1 58225200 VKYKLWFMBJIRQJ-IBGZPJMESA-N 323.396 3.574 0 40 DHAB Cc1cc([C@@H](C)NC(=O)Cc2coc(-c3ccccc3)n2)c(C)o1 58330132 UHWMWWCROFYGHN-CYBMUJFWSA-N 324.380 3.971 0 40 DHAB COc1ccc(CNC(=O)c2sccc2C2CC2)c(OC)c1 65552416 DSPYOXXSGGKOGM-UHFFFAOYSA-N 317.410 3.573 0 40 DHAB CCC[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 69703813 IUXLYECLRJBZAW-CABCVRRESA-N 308.491 3.513 0 40 DHAB COc1ccc([C@H]2CCCCCN2C(=O)c2cscn2)cc1 72351096 MQWGPKSBZQJUFX-MRXNPFEDSA-N 316.426 3.909 0 40 DHAB O=C(NCc1cccnc1)Nc1cccc(N2CCCCCC2)c1 77723921 XQQMBOZPFORDOA-UHFFFAOYSA-N 324.428 3.784 0 40 DHAB CC(C)n1cc(C(=O)NCCc2ccccn2)c2ccccc21 79492889 DILJLWLVJRFCIP-UHFFFAOYSA-N 307.397 3.590 0 40 DHAB CC(C)(C)OC(=O)N1CC(Nc2ccc(C(F)(F)F)cc2)C1 90635725 WZWATNCRKNCUDQ-UHFFFAOYSA-N 316.323 3.737 0 40 DHAB CCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(C)nc2)o1 95398382 YSJRQJZWTZVQMZ-MRXNPFEDSA-N 313.401 3.592 0 40 DHAB CC[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 95407205 VZNZXGQBLLTLOS-UKRRQHHQSA-N 315.369 3.617 0 40 DHAB O=C(c1ccc(Oc2ccccc2)o1)N1CCCSCC1 96451181 OCBBFUMZDHJINH-UHFFFAOYSA-N 303.383 3.651 0 40 DHAB C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2cccc(F)c2)C[C@H]1C 105601831 UOUSFOZEGXXNBT-IOASZLSFSA-N 321.392 3.912 0 40 DHAB Cc1csc(-c2cccc(OC(=O)[C@H]3C[C@H]4CC[C@H]3O4)c2)n1 107050106 VUNWQDDYSIFIBU-QLFBSQMISA-N 315.394 3.591 0 40 DHAB Cc1noc(C)c1CC(=O)Nc1sccc1C(=O)C(C)(C)C 118626987 YNFUVGYGPFVAQV-UHFFFAOYSA-N 320.414 3.763 0 40 DHAB C[C@]12C[C@H](F)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118925848 QBAHMYSNLVHPJQ-CZQRWWPKSA-N 308.437 3.907 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 219484549 PPRFLIKOUSVANA-AWEZNQCLSA-N 317.816 3.856 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1C 224439665 SXYAVJBBLGAKFS-OAHLLOKOSA-N 313.397 3.591 0 40 DHAB O=C(NCc1cccnc1-c1cccs1)c1ccccc1F 225758978 QYMVVZIOCCJQNK-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB Cc1cccc(CNC(=O)COc2cccc(C(F)(F)F)c2)c1 225811941 CBQCRPNPIRUSJP-UHFFFAOYSA-N 323.314 3.709 0 40 DHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)nc1C 225885809 DYRLHGAZDNRWSX-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CCCOc1ncc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225889934 RUEPZLZRILQSHT-UGSOOPFHSA-N 320.433 3.713 0 40 DHAB O=C(NCC[C@H](CCO)c1ccsc1)c1cccc(Cl)c1 575607777 OXLSKEGWFRSKRL-GFCCVEGCSA-N 323.845 3.688 0 40 DHAB C[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NCc1nccs1 583651339 LFJMGRUXZIAOEZ-ZCFIWIBFSA-N 322.302 3.559 0 40 DHAB Cc1cc(OC[C@]2(O)CCCN(C3CCC3)C2)cc(C)c1Cl 585282137 YCZWUPNSTVUYJK-SFHVURJKSA-N 323.864 3.715 0 40 DHAB O=C1N[C@H](c2ccccc2)C12CCN(CC1CCCCC1)CC2 1201397894 XHGPSEUDCKQPNU-GOSISDBHSA-N 312.457 3.520 0 40 DHAB C[C](NC(=O)OCc1ccccc1)c1nc(-c2ccccc2)c[nH]1 1560405333 HAKGIASXWHPNSF-UHFFFAOYSA-N 320.372 3.903 0 40 DHAB CCc1c(C)nc2c(OC)cccc2c1SCCC(=O)O 36345 TUXVQEJLKXPVAA-UHFFFAOYSA-N 305.399 3.681 0 40 DHAB Cc1ccc2cc(COC(=O)c3ccccc3C)c(=O)[nH]c2c1 1263552 AVNNTRMXKMZTSC-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB Cc1cc(C)c(S(=O)(=O)c2ccc(F)cc2C)c(Cl)n1 1388786 CKABLBVWBMHLNU-UHFFFAOYSA-N 313.781 3.632 0 40 DHAB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2092778 MZRDBPVHKUQEKQ-NSHDSACASA-N 322.474 3.881 0 40 DHAB Cc1cc(C)nc(Sc2ncnc3c2oc2ccccc23)n1 3260947 BGAQFIRMEJINNQ-UHFFFAOYSA-N 308.366 3.934 0 40 DHAB C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1Cl 3583572 AZMWBBNXIKPCML-SNVBAGLBSA-N 301.217 3.806 0 40 DHAB Cc1cc(C)cc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)c1 4313387 ICLFPNJGGZGRNS-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB Cc1cc(C)n2c(SCc3cccc(Cl)c3)nnc2n1 5213423 BXJPHBGTIJDFPV-UHFFFAOYSA-N 304.806 3.687 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2cccc(F)c2)cc1 5818280 ZNLPYVVBYGBMPQ-SFHVURJKSA-N 321.355 3.915 0 40 DHAB C[C@@H](OC(=O)c1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C 5981016 HTNKJHFZLVXDDT-JMSVASOKSA-N 323.820 3.580 0 40 DHAB Cc1cccc(CSCC(=O)NCc2ccc(F)cc2)c1 6305698 HWAZDIGBZVEODO-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB CCCCN1C(=O)/C(=C\c2sccc2C)C(C(=O)OC)=C1C 6322984 BNUSLAUHRPLDOC-RAXLEYEMSA-N 319.426 3.529 0 40 DHAB c1cncc(Oc2nc(-c3cccnc3)nc3ccccc23)c1 6831285 UVTKKNBXFDUDOV-UHFFFAOYSA-N 300.321 3.879 0 40 DHAB CCCCn1nc(C)c(C(=O)Nc2ncc(C)s2)c1Cl 7986903 NYMZAVSJEVPQHM-UHFFFAOYSA-N 312.826 3.662 0 40 DHAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)C3CC3)ccc1O2 9134968 WFQDBJVFKSJEBA-UHFFFAOYSA-N 308.337 3.702 0 40 DHAB Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 9317918 FRNDBIIQQIVOTA-HNNXBMFYSA-N 319.364 3.566 0 40 DHAB CC[C@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 9607156 SMPCCCRMHBQFKT-OAHLLOKOSA-N 312.413 3.758 0 40 DHAB CCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 11667326 VPEYATNMDHOKSI-ZDUSSCGKSA-N 311.385 3.920 0 40 DHAB CNc1snc(C)c1C(=O)N1CCC(c2ccccc2)CC1 12986653 HAYADZLURFMFDP-UHFFFAOYSA-N 315.442 3.513 0 40 DHAB Cn1ccc([C@H]2CCCCCN2Cc2cc(F)cc(F)c2)n1 19291057 XMWMJSFUJVFTKS-QGZVFWFLSA-N 305.372 3.816 0 40 DHAB CC[C@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20110246 DYSFXWNLTNZXAF-ZDUSSCGKSA-N 305.399 3.556 0 40 DHAB O=C(Nc1nncs1)c1ccc(Oc2ccc(F)cc2)cc1 21215277 FWZAABVPWXIOMO-UHFFFAOYSA-N 315.329 3.722 0 40 DHAB CCC(=O)Nc1nc(C)c(-c2nc(-c3ccccc3)no2)s1 21524768 KSWYZFYHSSQPQF-UHFFFAOYSA-N 314.370 3.517 0 40 DHAB Cc1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 25453568 CJGGGXPBPJATQY-IBGZPJMESA-N 324.424 3.973 0 40 DHAB Cn1ccnc1[C@@H](NCc1ccccc1F)c1cccc(F)c1 30645434 AOFACENGHHXGBX-KRWDZBQOSA-N 313.351 3.578 0 40 DHAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCC1 31865224 PBALOBCMWJPLNL-UHFFFAOYSA-N 306.818 3.628 0 40 DHAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2cccc(O)c2)C1 36354924 GRXFIBXFATVHHT-HNNXBMFYSA-N 323.327 3.841 0 40 DHAB CCN1C(=O)S/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O 36636161 HMFLWXPMVBODME-YFHOEESVSA-N 316.304 3.674 0 40 DHAB COc1cccc(COC(=O)CCc2nc3ccccc3o2)c1 37099242 UAOAIJSZEBZTSE-UHFFFAOYSA-N 311.337 3.512 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)cc1F 40162159 XVFYTYVRUIHVLS-UHFFFAOYSA-N 301.745 3.952 0 40 DHAB COc1ccc(C)cc1[C@H](O)c1ccccc1Br 40264083 XRKYXUNQVWCKIV-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB Cc1noc(C)c1C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 45509672 VYQKWHHMEFFVIM-KRWDZBQOSA-N 310.397 3.974 0 40 DHAB O=C(C[C@@H]1C=CCC1)NC1(c2ccc(Br)cc2)CC1 48206618 INNTUXQFWLGECR-GFCCVEGCSA-N 320.230 3.911 0 40 DHAB Cc1cccc(OCCNC(=O)Nc2ccc(F)c(F)c2F)c1 53979132 GCDLDFKOPBISAQ-UHFFFAOYSA-N 324.302 3.613 0 40 DHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Cl)cc1F 54252597 PKKNWGODJMEPMS-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB Cc1cnc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)s1 57412211 VDUKQCJFHFBQLD-UHFFFAOYSA-N 318.789 3.543 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccccc2)nc1 58267821 UUWDVPBXRCDYCR-UHFFFAOYSA-N 321.355 3.555 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 59227368 VJSRNDPPUIYGJC-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 60322498 AQYLZKHXIRGHDO-CQSZACIVSA-N 322.880 3.713 0 40 DHAB CC(C)[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccccc1 61240045 WFRJKMGVNJKSMB-MJGOQNOKSA-N 323.392 3.802 0 40 DHAB C[C@@H](OCC1CC1)C(=O)Nc1ccc(N2CCCCCC2)cc1 64722872 FRPPUBLBCLUQGC-OAHLLOKOSA-N 316.445 3.821 0 40 DHAB O=C(NC[C@H]1CCCc2ccccc21)c1ccnc(NC2CC2)c1 65551240 ZIIPIQVDTCJZGK-MRXNPFEDSA-N 321.424 3.506 0 40 DHAB O=C(NC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CC=CCC1 69390397 VGBDPMZVZRQDRK-CQSZACIVSA-N 319.832 3.818 0 40 DHAB CC(C)c1noc([C@@H](C)Oc2ccc3c(c2)CCCC3=O)n1 69492394 AEDIEYYPJPYMEN-LLVKDONJSA-N 300.358 3.852 0 40 DHAB Cc1noc(C)c1[C@H](C)NC(=O)CCc1c[nH]c2ccccc12 70953739 RTONLYRCKQKHAM-NSHDSACASA-N 311.385 3.583 0 40 DHAB c1ccc(CN2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)cc1 72389944 JPYKQRSWPVYZQC-QGZVFWFLSA-N 320.396 3.511 0 40 DHAB Cc1cc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 74039317 HVXPQTZGCORGNE-VIFPVBQESA-N 313.184 3.710 0 40 DHAB C[C@H](c1ccc(F)cc1F)N1CC[C@H](Oc2ccccn2)C1 84651670 VBQICRSCMJRHQC-OCCSQVGLSA-N 304.340 3.574 0 40 DHAB Cc1nc(NC(=O)OCc2ccccc2)ccc1Br 89228894 MZGWZEXVWNBNSM-UHFFFAOYSA-N 321.174 3.901 0 40 DHAB CC(C)Cc1cnc(NC(=O)N(C)[C@H](C)c2cccnc2)s1 95416195 LOIYJJAUMHCXOG-GFCCVEGCSA-N 318.446 3.962 0 40 DHAB CC(C)C[C@H](C)OCCC(=O)Nc1ccc(/C=C/C(=O)O)cc1 95425048 SHUPYDZHCVAAEI-MRZGDXHCSA-N 319.401 3.564 0 40 DHAB CCOC(=O)c1c(NCc2ccccc2)ccnc1C(F)(F)F 95482585 HOFDOQCJOZWFCS-UHFFFAOYSA-N 324.302 3.889 0 40 DHAB Cc1cc(C(=O)N2CCCC[C@@H]2c2cccc(C)c2C)ncn1 95973392 PDAOQWJJBYSSHU-GOSISDBHSA-N 309.413 3.769 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1cccs1)c1ccc(C)s1 96104675 LYULIBZXLOPRAU-CFNZNRNTSA-N 307.440 3.635 0 40 DHAB COc1ccc(C(=O)N(Cc2ccsc2)C2CC2)cc1F 96120291 YBCWAVDXBAGCPB-UHFFFAOYSA-N 305.374 3.701 0 40 DHAB CC(C)N(C[C@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2)C(C)C 101244139 YTCOFICLLIPGED-SFNKJDCFSA-N 311.510 3.698 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 106858211 OGEMETWMVAMJBN-NZUILWFCSA-N 300.446 3.994 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc(SC(F)F)c1 108654072 HTWCMJIWKWWHKE-UHFFFAOYSA-N 312.345 3.985 0 40 DHAB COc1cc2nccc(Oc3ccc(N)c(F)c3)c2cc1OC 117392310 ZFGMJQSRPRXGMR-UHFFFAOYSA-N 314.316 3.766 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 224418912 HSRZUJOLLFXDIG-HZPDHXFCSA-N 311.425 3.936 0 40 DHAB CCn1c(=O)sc2cc(NC(=O)NC3CCCCC3)ccc21 225128494 WAPWYOUYVDJZOU-UHFFFAOYSA-N 319.430 3.537 0 40 DHAB CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 225138684 MCUDQZRDXHKRKP-UHFFFAOYSA-N 322.238 3.880 0 40 DHAB COC(=O)c1cccc(NC(=O)Cc2cccc(Cl)c2)c1C 225284498 XAZVMHKDGWYHBR-UHFFFAOYSA-N 317.772 3.616 0 40 DHAB CCOc1cccc(NC(=S)NCCSC(C)(C)C)c1 225351576 ZDSWAAKXLBXBMG-UHFFFAOYSA-N 312.504 3.903 0 40 DHAB Cc1nc(C(=O)Nc2c(C)cc(Br)cc2C)co1 226096566 LJAMMNCNVJUJTK-UHFFFAOYSA-N 309.163 3.615 0 40 DHAB CC1(C)CC(=O)[C@@H]2C(c3cc(Cl)cc(Cl)c3)=NN[C@H]2C1 228930465 AFVOKJASULFNCN-WCQYABFASA-N 311.212 3.675 0 40 DHAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 247943177 QIBHNDDMPBCRNN-BSXFFOKHSA-N 323.440 3.705 0 40 DHAB O=C(C1CCC(F)(F)CC1)N1CCC(Cc2ccncc2)CC1 257282983 OWDGFCHCAFNFOF-UHFFFAOYSA-N 322.399 3.688 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408713836 AFPFWHVDMAYYBS-UHFFFAOYSA-N 321.380 3.626 0 40 DHAB C[C@H](SCc1ccccc1)C(=O)NCCSC(C)(C)C 408921711 VVJNDWALKQSKKU-ZDUSSCGKSA-N 311.516 3.956 0 40 DHAB CCc1cc(C(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)on1 409412817 MHSGUBMFDOXCLV-BURFUSLBSA-N 310.397 3.549 0 40 DHAB COCC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2cccn2C1 585095446 QXFRXHOKQQAYOO-INIZCTEOSA-N 323.440 3.638 0 40 DHAB CC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 132235 RUTVUBFQAAQPFG-WCBMZHEXSA-N 306.456 3.886 0 40 DHAB CCOC(=O)c1cc2c(ccn2C)n1Cc1ccccc1Cl 1337921 JBDBDAIFJBSGGS-UHFFFAOYSA-N 316.788 3.858 0 40 DHAB CCCN(CCC)C(=O)[C@@H](c1ccccc1)C1(O)CCCC1 2043278 BWISZNUOEZWPSJ-QGZVFWFLSA-N 303.446 3.724 0 40 DHAB Cc1ccccc1Cc1nnc2sc(-c3cccc(F)c3)nn12 2183291 UORAILOYQUIARH-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB Cc1ccc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C)c1 3401236 KAQPNSKAMLYJAR-OAHLLOKOSA-N 311.381 3.796 0 40 DHAB C[C@H]1CCc2sc(C(=O)NCc3ccc(F)cc3)cc2C1 3429711 ICAJRBVZZPDEHB-NSHDSACASA-N 303.402 3.942 0 40 DHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(F)cc1 3514978 XJTWFNKRBCLIBX-LLVKDONJSA-N 307.752 3.735 0 40 DHAB Cc1cccc(C)c1OCC(=O)N[C@H]1CCCc2ccccc21 3606523 RFRXZYGFATYZJY-SFHVURJKSA-N 309.409 3.876 0 40 DHAB Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=O)CCC2 4119260 UWGZPTCNCCRPKC-UHFFFAOYSA-N 317.772 3.690 0 40 DHAB CCN(CC)S(=O)(=O)c1ccc2oc3ccccc3c2c1 4602624 KTXALOOHFVYPGP-UHFFFAOYSA-N 303.383 3.617 0 40 DHAB COc1cccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 5020235 PISFTNCCUQOHNO-KRWDZBQOSA-N 323.396 3.699 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 5192841 IANRENOIXJSBON-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB CC(=O)Nc1cccc(NC(=O)Nc2c[nH]c3ccccc23)c1 5299950 BFCPTFGRBGGMAU-UHFFFAOYSA-N 308.341 3.770 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OCC 5466570 FONOYDZZVWMHEP-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB CC(C)=CC/C=C1\CC[C@H]2C(=O)N(c3ccccc3)NC(=O)[C@@H]2C1 5480753 LAQLAJSRFNHUCR-ZGOKVMRMSA-N 324.424 3.763 0 40 DHAB COc1cc(C)c(NC(=O)/C=C/c2ccccc2F)cc1OC 6258959 WIUDUMIHOAKVIQ-CMDGGOBGSA-N 315.344 3.803 0 40 DHAB CC(=O)c1cn([C@@H](C)C(=O)N2CCCCCC2)c2ccccc12 6955816 DRQZIUGIDSTOGM-AWEZNQCLSA-N 312.413 3.808 0 40 DHAB CCc1nc2n(n1)[C@H](c1ccco1)C=C(c1ccc(F)cc1)N2 8570211 PSECKEPVWALBTF-AWEZNQCLSA-N 310.332 3.629 0 40 DHAB CC(=O)Nc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1 8766984 OIOWAYIVQYKOGF-UHFFFAOYSA-N 317.414 3.753 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H](c1ccccc1)c1cccs1 9365293 JMQSLVRUAHKYDZ-INIZCTEOSA-N 312.394 3.872 0 40 DHAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cnccn1 9872497 NCBPWHJVSVHFNK-UHFFFAOYSA-N 322.349 3.599 0 40 DHAB CC(=O)c1cc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cs1 12325879 HIXVOGABKIGRFJ-CQSZACIVSA-N 305.443 3.993 0 40 DHAB COc1ccc(NC(=O)CCCSc2ccccc2)cn1 12523536 SJVYIWMPQMMVSH-UHFFFAOYSA-N 302.399 3.601 0 40 DHAB COc1cc(C)c(NC(=O)C2(c3ccccc3)CC2)cc1OC 12760623 ZTDIQWQAXVLFFD-UHFFFAOYSA-N 311.381 3.683 0 40 DHAB CC(C)[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 15549901 IPIKXRHLVLBQJO-GOSISDBHSA-N 318.367 3.890 0 40 DHAB CN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 16916594 SESYEBSAOZLAEA-UHFFFAOYSA-N 314.772 3.501 0 40 DHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 21893988 YVFUOJPUJBYNCZ-UHFFFAOYSA-N 313.357 3.681 0 40 DHAB Cc1cc(OCCOc2ccc(C(N)=O)cc2)ccc1C(C)C 23339231 WWFFBPDDAAUQMQ-UHFFFAOYSA-N 313.397 3.675 0 40 DHAB O=C(NCc1ccccc1)NCc1cccc(C(F)(F)F)c1 25055941 DSWMJPOXONWQLC-UHFFFAOYSA-N 308.303 3.705 0 40 DHAB Cc1cc(Oc2ccc(Nc3ccccc3)cc2)n2ncnc2n1 32907673 RRUKNTWYWKOWCR-UHFFFAOYSA-N 317.352 3.969 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F 32907732 KOCMYDRBEGAQPC-GHMZBOCLSA-N 319.298 3.685 0 40 DHAB Cc1ccc(C)c(OCC(=O)NCc2ccccc2Cl)c1C 32957677 HXFGMTFBRPAXKM-UHFFFAOYSA-N 317.816 3.960 0 40 DHAB O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccc1 36360949 SIJYJWYFRWENRL-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB Cn1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21 36369800 RDHPZPXGBVMOEZ-UHFFFAOYSA-N 317.392 3.632 0 40 DHAB biogenic CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC(C)C 40121685 QVBUGGNSDPJJRZ-GJZGRUSLSA-N 307.434 3.712 0 40 DHAB CN(Cc1ccncc1)C(=O)Nc1cccc(Br)c1 40525298 XMFKMCSFJAKPAR-UHFFFAOYSA-N 320.190 3.508 0 40 DHAB CC(C)N(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)[nH]n1 47423169 NNRZYBDDHJNCDZ-UHFFFAOYSA-N 320.396 3.523 0 40 DHAB CC(C)NC(=O)Nc1ccc(CNCc2cccs2)cc1 48784902 UHTJFXWWJOTYQD-UHFFFAOYSA-N 303.431 3.568 0 40 DHAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc[nH]n1)C1CC1 49653978 IMKFYTWIHPTTDF-SNVBAGLBSA-N 323.318 3.794 0 40 DHAB CC(C)(C)n1cc(C(=O)N2CCC(c3ccccc3)CC2)cn1 51065658 CYTDMNKHUKEHDH-UHFFFAOYSA-N 311.429 3.658 0 40 DHAB Fc1ccc(C[C@@H]2CCCN2Cc2nnsc2Cl)cc1 55908470 IFTPJBBBEVDMMF-LBPRGKRZSA-N 311.813 3.538 0 40 DHAB Cc1oc(-c2ccccc2)nc1CN1CCC(c2cc[nH]n2)CC1 58218590 YDAPBHRJLCKNNR-UHFFFAOYSA-N 322.412 3.753 0 40 DHAB Cc1ccc(NCc2nc(CC(C)C)no2)c(Br)c1 59799468 DAMMWRTXJUOCQP-UHFFFAOYSA-N 324.222 3.951 0 40 DHAB COC(=O)c1cc(N)cc2nc(-c3ccccc3Cl)oc12 73641969 VNIJFKGZIAQOFQ-UHFFFAOYSA-N 302.717 3.517 0 40 DHAB Cc1cc(CC(=O)N2CCCSc3ccc(Cl)cc32)no1 84116992 CZEOWJVEIZUSFE-UHFFFAOYSA-N 322.817 3.708 0 40 DHAB Cc1c(COC(C)C)cccc1NCc1cn2cccnc2n1 95418006 NKEVICUCIMYLKK-UHFFFAOYSA-N 310.401 3.575 0 40 DHAB COc1cc([C@H](C)N[C@@H](C)[C@@H]2CCCO2)ccc1OC(F)F 95967289 BYZNMDOTPVDFBT-GVXVVHGQSA-N 315.360 3.515 0 40 DHAB Cc1ccc(-c2noc(C[C@@](C)(O)c3ccccc3)n2)cc1F 96003505 GQNVNBLHJNZIAA-GOSISDBHSA-N 312.344 3.634 0 40 DHAB CO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1 96103347 ABSKTKWHYYZMMT-CYBMUJFWSA-N 310.806 3.911 0 40 DHAB FC(F)(F)c1cccc(Nc2ncnc(-c3cccnc3)n2)c1 96179442 MLXVSLNNDLFAFQ-UHFFFAOYSA-N 317.274 3.696 0 40 DHAB Cc1ccc(C2C[C@H]3CC[C@H](C2)N3Cc2cn(C)nc2C)cc1 100172284 DGGYULLIRKRLLL-WOJBJXKFSA-N 309.457 3.948 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@H]3C[C@@]13CC[C@@H]2C[C@H]1CCCC[C@]13O4 105364873 NYWUQKFITQFOEY-IZGRHMBUSA-N 304.430 3.741 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2c3ccccc3C[C@@H]2C)cc1 110517896 VSJVXQVKLHQJER-UONOGXRCSA-N 322.408 3.667 0 40 DHAB CC(C)c1cnc(NC(=O)Nc2cc([C@H]3C[C@H]3C)n[nH]2)s1 192390489 ITKPYVHQWXZMCT-BDAKNGLRSA-N 305.407 3.757 0 40 DHAB Cc1cc(OCC(=O)NCCSC(C)(C)C)ccc1Cl 218936963 SPDTXHOLTNBYLW-UHFFFAOYSA-N 315.866 3.675 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1 223122482 YROYBEVBFKJHAU-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB COc1ccc(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)O)cc1 225046224 UDHRMCSMAIUVEN-GOSISDBHSA-N 314.381 3.893 0 40 DHAB CCOc1cc(CNC[C@H]2CCCO2)ccc1O[C@H](C)CC 225158272 XZPVYASBZRPMPA-GDBMZVCRSA-N 307.434 3.531 0 40 DHAB CC(C)Oc1ccc(CCCNC(=O)Cc2cccs2)cc1 225542587 SSDZDASAKYKCQV-UHFFFAOYSA-N 317.454 3.827 0 40 DHAB CC1(C)CCN(C(=O)c2ccc3ccccc3n2)CCS1 279049579 CHNKXUOWTCWXKS-UHFFFAOYSA-N 300.427 3.593 0 40 DHAB CC(C)N1CCN(c2cnn3ccc(-c4ccccc4)cc23)CC1 306144154 YXWHRJUBQYKDBD-UHFFFAOYSA-N 320.440 3.532 0 40 DHAB COc1cccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)c1 408528670 KKNQJNJKEWZUGJ-UHFFFAOYSA-N 324.311 3.511 0 40 DHAB Cc1cccc2nc(C3CCN(Cc4ncccc4O)CC3)oc12 585084553 ULIWBWGRLUUZPU-UHFFFAOYSA-N 323.396 3.616 0 40 DHAB COc1ccc(C(=O)Nc2cccc3nsnc23)cc1Cl 104063 FTGKIYBEBKZWKJ-UHFFFAOYSA-N 319.773 3.606 0 40 DHAB Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C(C)C)cc1)C(=O)N2 316905 BEOASMXADXLRGA-HXUWFJFHSA-N 323.392 3.531 0 40 DHAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)C(C)C 411264 RTTQGTPYOOLWRC-UHFFFAOYSA-N 302.399 3.903 0 40 DHAB CCOC(=O)Cc1c(C=O)c2ccccc2n1Cc1ccccc1 2206794 LPRIDEMFBLPBHY-UHFFFAOYSA-N 321.376 3.608 0 40 DHAB C[C@@H]1CCc2c(sc3ncn4nc(-c5cccnc5)nc4c23)C1 2324941 JHZAKFHDNWESRH-SNVBAGLBSA-N 321.409 3.526 0 40 DHAB CC(C)(C)CC(=O)OCC(=O)c1cccc(Br)c1 3249795 ANIOTPRXDNSRLB-UHFFFAOYSA-N 313.191 3.611 0 40 DHAB COc1ccc(OC)c(/C=C\c2sc3ccccc3[n+]2C)c1 4887611 AJYDVCNKVYLAFH-FLIBITNWSA-N 312.414 3.913 0 40 DHAB CCc1ccc(NC(=O)C(=O)Nc2cccc3ccccc23)cc1 4907813 OFHHEUJSRDVDCK-UHFFFAOYSA-N 318.376 3.979 0 40 DHAB C[P@@](=O)(O)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)F 5257434 FOPZPMOSTHLVET-QMMMGPOBSA-N 304.151 3.757 0 40 DHAB CC(=O)Nc1ccc(OCCOc2ccccc2Cl)cc1 5342451 QQKGILVKHNPEAV-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB CSc1cccc(NC(=S)NC(=O)c2ccccc2)c1 5550551 LHUZLOCGJGJCLS-UHFFFAOYSA-N 302.424 3.535 0 40 DHAB Cc1[nH]c2c(C)cccc2c(=O)c1CN1CCc2ccccc2C1 5813319 RAMODRWURWEWKX-UHFFFAOYSA-N 318.420 3.703 0 40 DHAB CC(=C\c1ccccc1)/C=C1/NC(=O)N(Cc2ccccc2)C1=O 6295470 SQZVRZUKCNTKAQ-PYEASBQRSA-N 318.376 3.726 0 40 DHAB CCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 6594687 GXYLJZWWBOLQDR-UHFFFAOYSA-N 322.364 3.616 0 40 DHAB Cc1ccc2oc(C(=O)Nc3ccc(C)c(C)c3)cc(=O)c2c1 6811210 CISPFQLXSYUVCJ-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1F 7386598 ZDDFDEBEUGZOAV-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)O)cc1 7885548 RVNULUDMUBBQFC-SJCJKPOMSA-N 324.380 3.750 0 40 DHAB O=C(CCC(=O)c1cccs1)NCc1ccccc1Cl 8034520 ZNUJXWOCOTUULF-UHFFFAOYSA-N 307.802 3.681 0 40 DHAB COCc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 8774597 WEAMTCCATJFHMS-UHFFFAOYSA-N 316.357 3.834 0 40 DHAB CCn1c2ccccc2c2cc(NC(=O)c3cnn(C)c3)ccc21 12532797 CGYMFFUPUKEKNR-UHFFFAOYSA-N 318.380 3.800 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccnc1 12534467 MNECERWOALIXSL-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O=C1CC2(CCCCC2)C(=O)N1Cc1cc(-c2ccccc2)on1 12569663 IUJGBSAQRUSBEY-UHFFFAOYSA-N 324.380 3.551 0 40 DHAB O=C(NCc1ccc2c(c1)OCO2)c1occc1-c1ccccc1 12974172 HEEZVIBFIYXLOS-UHFFFAOYSA-N 321.332 3.605 0 40 DHAB CCOc1ccccc1OCC(=O)Nc1ccccc1Cl 13003361 ZNQMWRSDGCNLIW-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB CC(C)[C@@H]1O[C@H](COc2ccccc2)CN1Cc1ccco1 13897086 KWCVCDXOLNZGNY-ROUUACIJSA-N 301.386 3.542 0 40 DHAB O=C(Cc1nc(-c2ccccc2)cs1)NCc1ccccc1 14201949 NVYBFVNQAWOTCP-UHFFFAOYSA-N 308.406 3.669 0 40 DHAB C[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccc(F)c(F)c1 15321655 LKSFKLGIWIOFNC-RAQOOLMWSA-N 321.367 3.537 0 40 DHAB Cc1ccsc1CN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 16346565 DNTMWZRVBNXDIU-CABCVRRESA-N 316.470 3.754 0 40 DHAB CC(C)(C)C1CCC(C(=O)OCc2ccc(C(N)=O)cc2)CC1 16750439 GYSNWXSPUWEFBN-UHFFFAOYSA-N 317.429 3.681 0 40 DHAB Cc1nc(C)c(-c2cc(O)n3ncc(-c4ccccc4)c3n2)s1 19560611 FZQSLPPGERNDAE-UHFFFAOYSA-N 322.393 3.842 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1C 20025590 YYTKGKNTKKOYFJ-AWEZNQCLSA-N 313.397 3.893 0 40 DHAB CCCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1 20141727 VFLXLULCCSHYSY-UHFFFAOYSA-N 313.353 3.734 0 40 DHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 20458122 QBRMTEIENOOFPH-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB COC(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C 20798484 YORPFJXDSQTEBB-UHFFFAOYSA-N 312.156 3.622 0 40 DHAB O=C(NCc1cccs1)c1cc(-c2ccccc2Cl)[nH]n1 25048054 YIIZRIHIELYTTO-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB COc1cc(C(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1C 28881952 PNGZEROVDAQUQZ-GFCCVEGCSA-N 311.381 3.604 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2cccc3cn[nH]c23)cc1 39559235 ULRSZHOSXQRVGS-QGZVFWFLSA-N 321.380 3.549 0 40 DHAB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(F)c(Cl)c2)cc1 40097657 VAXQBSHLNCVYIX-HNNXBMFYSA-N 322.767 3.643 0 40 DHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)Cc1ccco1 40159921 NPCAOVVNZLWKDB-GFCCVEGCSA-N 307.777 3.667 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)c(F)c1 44880748 FUXNSHUUJJIPJR-MRXNPFEDSA-N 321.323 3.770 0 40 DHAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1ccsc1 48355900 FAABAIREPQWXPS-DOMZBBRYSA-N 304.415 3.819 0 40 DHAB Cc1ccccc1C1(CNC(=O)[C@H]2CC=CCC2)CCOCC1 55760811 PPXWHXFGKZLZIS-KRWDZBQOSA-N 313.441 3.516 0 40 DHAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(C(C)C)CO2 57464055 BIXIHANJLBKATG-UHFFFAOYSA-N 313.397 3.541 0 40 DHAB C(=C/c1ccccc1)\CSc1nnnn1Cc1ccccc1 57563041 ORDZEZBIZNHYSE-KPKJPENVSA-N 308.410 3.527 0 40 DHAB COc1ccc(Nc2nc(-c3cccc(Cl)c3)n[nH]2)cc1 59843804 RHYOJXRXHHITKZ-UHFFFAOYSA-N 300.749 3.877 0 40 DHAB O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc(Cl)cc1F 60362035 XAWJRGSUUCQOPL-UHFFFAOYSA-N 324.764 3.707 0 40 DHAB CCCCn1c(S(=O)(=O)Cc2ccc(C)cc2)nc(C)c1C 63869873 JZLKFNITKAONOV-UHFFFAOYSA-N 320.458 3.582 0 40 DHAB Cc1c(C(=O)Nc2cccc3[nH]ccc23)oc2c1C(=O)CCC2 65575630 OUJDQOCBMUBTCO-UHFFFAOYSA-N 308.337 3.841 0 40 DHAB C[C@H](c1ccc(OC(F)F)cc1)S(=O)(=O)C1CCCC1 68142164 JCQPTXJQLQPSOH-SNVBAGLBSA-N 304.358 3.706 0 40 DHAB CC(C)[C@@H](C)CC(=O)N(Cc1ccncc1)Cc1cccnc1 71903925 COMLJCGUOQOWER-INIZCTEOSA-N 311.429 3.688 0 40 DHAB CSCc1nnc(SCCOC2CCCCCC2)o1 71911295 FTPPZKPPZARYLM-UHFFFAOYSA-N 302.465 3.764 0 40 DHAB Cc1nc(C[S@](=O)Cc2ccc(C(F)(F)F)cc2)cs1 78556117 KYACNIIKCWVTNB-FQEVSTJZSA-N 319.373 3.919 0 40 DHAB CCn1nc(NCc2c[nH]nc2-c2ccc(C)o2)cc1C1CC1 83836803 LBTWXJYGWFWRQR-UHFFFAOYSA-N 311.389 3.684 0 40 DHAB CCOc1ccc(-c2nc(-c3ccccc3N)n[nH]2)cc1OCC 85385274 VQVVGQDDBMBLBB-UHFFFAOYSA-N 324.384 3.518 0 40 DHAB Cc1nc2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2[nH]1 95476016 IUEDPEMLFZMNRO-UHFFFAOYSA-N 305.259 3.541 0 40 DHAB CC(C)[C@H](NC(=O)N(C)C[C@H]1CCOC1)c1ccc(Cl)cc1 95964000 WEXDZBRWGNMWNT-CJNGLKHVSA-N 324.852 3.715 0 40 DHAB Clc1ccc(CN2CCOC[C@H](Oc3ccccc3)C2)cc1 96113199 VVLVBUQJJKACHU-GOSISDBHSA-N 317.816 3.620 0 40 DHAB biogenic,in-vitro Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc(Cl)cc1Cl 100103538 CTAYGSQENJAENO-LFYBBSHMSA-N 322.147 3.659 0 40 DHAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccccc3CC)C2=O)cc1 101275776 BPAXIRZDNDJAGH-GOSISDBHSA-N 322.408 3.555 0 40 DHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 113956343 GWUBMBRWSRFVAY-INIZCTEOSA-N 321.779 3.953 0 40 DHAB C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCOC2(CCCC2)C1 136493620 QWIORALZDTZFSP-DOTOQJQBSA-N 303.446 3.795 0 40 DHAB CC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(C)nc1 154108968 XTTAZIULNNPDED-UHFFFAOYSA-N 308.337 3.520 0 40 DHAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccco1 187087170 DTESCOFXJBIZAU-IAQYHMDHSA-N 305.761 3.535 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)NCCc1ccc(Cl)cc1 224413316 ICYJMLPBNWNXLE-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB CCCN(c1ccc(Br)cc1)[C@@H](CC)C(=O)O 224990278 HZHQQQAAHNPJHE-LBPRGKRZSA-N 300.196 3.529 0 40 DHAB CCOc1ccccc1C[C@@H](Oc1cc(C)cc(C)c1)C(=O)O 225104402 UABBQSRMXWDZJK-GOSISDBHSA-N 314.381 3.777 0 40 DHAB Cc1ccccc1NC(=O)c1snnc1-c1ccc(F)cc1 225777741 MEUBBFRJDXLQDL-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1 226287369 TZLIODHRUPVZHO-UHFFFAOYSA-N 308.381 3.832 0 40 DHAB Cc1cc(CCCNC(=O)C2(c3cccs3)CCCC2)on1 253471947 GSCORYNDVSDCSU-UHFFFAOYSA-N 318.442 3.605 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](SC1=NN[C@H]3CCCC[C@@H]13)C2=O 253592585 XJRJIPQHVKZMKW-WHOOJLRASA-N 306.475 3.589 0 40 DHAB CCc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1 257233139 GNYYOHHIBBMGAW-WJFTUGDTSA-N 301.430 3.774 0 40 DHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)NCc1cccs1 390828883 CBTBIVSHBIQVJG-GFCCVEGCSA-N 314.410 3.925 0 40 DHAB Cc1ccccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 202365 ORCVPDFFACHRBR-OQLLNIDSSA-N 312.756 3.746 0 40 DHAB C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1 384378 FHCLWUVUPLMYKC-CYBMUJFWSA-N 312.369 3.547 0 40 DHAB Cc1c(C[C@H](C)O)c(=O)oc2cc(OCc3ccccc3)ccc12 487973 STRMEJQYPWBYLV-ZDUSSCGKSA-N 324.376 3.604 0 40 DHAB biogenic Cc1cc2occ(-c3ccc4c(c3)OCCO4)c(=O)c2cc1C 518289 YZUQRLBBGNDEKH-UHFFFAOYSA-N 308.333 3.848 0 40 DHAB biogenic Cc1ccccc1CSc1nnc(-c2ccccc2C)n1N 530060 XLUNLNXRLRORHQ-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccncc1 575962 GBZHIVKJFJIKSO-UHFFFAOYSA-N 305.333 3.880 0 40 DHAB CC[C@H](C)N(CCCOC(=O)c1ccc(N)cc1)[C@H](C)CC 1610524 QWFIELFCSSOVDP-GASCZTMLSA-N 306.450 3.715 0 40 DHAB CCc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 2632367 LERHCZIRIWUJHX-UHFFFAOYSA-N 323.421 3.949 0 40 DHAB O=C(c1ccccc1Cl)N1CCC(N2CCCCCC2)CC1 2784611 CAUYSMVAVCSJFP-UHFFFAOYSA-N 320.864 3.821 0 40 DHAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)c(F)c1 3315925 KJMFEKZUTNZVJC-CCHVVGMOSA-N 304.361 3.757 0 40 DHAB COc1ccccc1CNC(=O)C1(c2ccc(Cl)cc2)CC1 3358696 LLYUDSHMLBMXIS-UHFFFAOYSA-N 315.800 3.697 0 40 DHAB O=C(Cc1ccccc1)NCCc1ccc(Cl)cc1Cl 3615274 PMUNGEXRJIGIMI-UHFFFAOYSA-N 308.208 3.895 0 40 DHAB O=C1CCC(c2ccccc2)=NN1c1nc2ccccc2s1 3954656 VJJUKKBNPFYKGX-UHFFFAOYSA-N 307.378 3.827 0 40 DHAB in-vitro CCC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@H]2[C@@H]1c1ccco1 4555198 OFOXTMOYXZXIJT-RZAIGCCYSA-N 315.344 3.994 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NCCC1=CCCCC1 8041775 KLGASZMPIZGPJL-INIZCTEOSA-N 305.393 3.990 0 40 DHAB CCC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 8406096 QWUWUKACLIGSFS-AWEZNQCLSA-N 302.418 3.687 0 40 DHAB CC(C)OC(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 8560776 BANZWLFUEOYXJA-UHFFFAOYSA-N 324.591 3.561 0 40 DHAB COC(=O)c1cc(CSc2nc3ccccc3[nH]2)oc1C 8580826 SCILOYVDEOLWKS-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB CCCCNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 9196672 GFARBMWQXZMIKK-UHFFFAOYSA-N 321.808 3.629 0 40 DHAB Cc1c(C(=O)Nc2ccc3oc4ccccc4c3c2)cnn1C 11241682 HDCBCDCLKFJMLP-UHFFFAOYSA-N 305.337 3.880 0 40 DHAB Cc1ccc2nc(CNc3ccccc3C(C)C)cc(=O)n2c1 11621721 WTSKPEBXWZVJQY-UHFFFAOYSA-N 307.397 3.738 0 40 DHAB COCCN1C(=O)c2ccccc2N[C@H]1c1cc(C)c(C)cc1C 12527962 BWMWWUSZKYMTMS-LJQANCHMSA-N 324.424 3.825 0 40 DHAB O=C(CCc1ccsc1)OCc1nc(-c2cccs2)no1 24867289 GERPCARSSPDVBH-UHFFFAOYSA-N 320.395 3.536 0 40 DHAB CCOc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1OC 25532557 HQSWETPZFLCANF-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB Cc1ccn(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)n1 28241976 HXTKWCPTYQEYIW-MOPGFXCFSA-N 317.392 3.923 0 40 DHAB Cc1cc([C@@H](C)NC(=O)Cc2noc3ccccc23)c(C)s1 31951287 DYKDIWHPUOTCIR-LLVKDONJSA-N 314.410 3.926 0 40 DHAB COc1ccc(CCNCc2ccc(Br)cc2)cc1 35268971 AWVROJJCJAUVPN-UHFFFAOYSA-N 320.230 3.790 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)cc1C 41095847 MGUIYNYEJGIVSY-UHFFFAOYSA-N 315.438 3.753 0 40 DHAB COc1cc(Br)cc(/C=N/Nc2ccccc2)c1O 41214269 KNNHQGXCTCXHPA-CXUHLZMHSA-N 321.174 3.609 0 40 DHAB Cc1cc(OC[C@@H]2CCNC2)c(Br)c(C)c1Cl 42770268 CQNOWUVPNZTBSY-SNVBAGLBSA-N 318.642 3.708 0 40 DHAB O=C(Nc1ccc(F)c(F)c1F)N(Cc1ccccn1)C1CC1 43233445 CKSGLHZMGJATBX-UHFFFAOYSA-N 321.302 3.695 0 40 DHAB C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccccn2)cc1 47191025 NWYMDWSZAJRVQD-HNNXBMFYSA-N 309.413 3.708 0 40 DHAB C[C@@H](NC(=O)Nc1ccc(N(C)C)nc1)c1ccc(Cl)s1 48332131 DOMJIUOGNUHLIB-SECBINFHSA-N 324.837 3.745 0 40 DHAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccs1 48353637 IWCISHJASMJCNI-UHFFFAOYSA-N 315.316 3.619 0 40 DHAB CCOc1ccccc1CNC(=O)c1c(F)cccc1Cl 53165678 YXMJJIRWZKYYPD-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB CN(C(=O)C1=NO[C@@H](c2ccccc2)C1)[C@@H]1CCc2ccccc21 54365677 SFIFAMLYYDJCIO-RTBURBONSA-N 320.392 3.650 0 40 DHAB CC[C@@](C)(O)CNc1ncnc2sc(-c3ccccc3)cc12 60349533 HKGGAYFFQPLKNY-QGZVFWFLSA-N 313.426 3.931 0 40 DHAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1nccs1 65565314 HOOFKUOCIGEMPZ-QMMMGPOBSA-N 316.304 3.533 0 40 DHAB CC(=O)N(C)CC/C=C1\c2ccccc2COc2ccccc21 65734015 BFOHVOUMOVZBKO-WOJGMQOQSA-N 307.393 3.879 0 40 DHAB in-vitro COc1ccccc1Cc1nnc(SCc2ccccc2)o1 66260298 ZFQBXNRIHIQGMY-UHFFFAOYSA-N 312.394 3.961 0 40 DHAB CC(C)(C)n1cc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cn1 68292254 RZLSQUSBKCYRSZ-NWDGAFQWSA-N 317.355 3.945 0 40 DHAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2cccs2)c1 71909995 DSMVSBMUXKCVFF-SNVBAGLBSA-N 320.439 3.826 0 40 DHAB Cc1ccc(CNC(=O)c2ccccc2NCc2ccon2)cc1 77241499 UMFNVMGNZAKLRS-UHFFFAOYSA-N 321.380 3.525 0 40 DHAB CCOc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1 79592278 IVTYMGFFTXAOOZ-UHFFFAOYSA-N 321.380 3.738 0 40 DHAB Cc1cc(NC(=N)c2ccccc2)nc(C)c1Br 89228899 INFICYWFFJLQLQ-UHFFFAOYSA-N 304.191 3.898 0 40 DHAB COc1ccc(F)cc1C[S@](=O)[C@H](C)c1ccccc1F 89909738 CFRNDRUEALSSGN-WSVYEEACSA-N 310.365 3.983 0 40 DHAB COc1ccc(Br)c2sc(Br)nc12 95950044 OPZMIAAAAYCZJC-UHFFFAOYSA-N 323.009 3.830 0 40 DHAB CC(C)(C)c1nnc(CSCCOc2cccc(F)c2)o1 96467791 BIXBOIHNLDFQOZ-UHFFFAOYSA-N 310.394 3.818 0 40 DHAB C[C@@H](C1CC1)n1nccc1NC1CCN(Cc2ccccc2)CC1 97009605 DVDAWGCQDBQDTD-INIZCTEOSA-N 324.472 3.931 0 40 DHAB O=C(Nc1ccc2ncccc2c1)C12CC(C(F)(F)F)(C1)C2 97165138 BLMXHLABGHASJH-UHFFFAOYSA-N 306.287 3.906 0 40 DHAB C/C(=C\C(=O)NCc1ccccn1)c1cccc(C(F)(F)F)c1 98056094 DGVAWEYTDQTNRT-FMIVXFBMSA-N 320.314 3.820 0 40 DHAB Cc1ccc([C@H]2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)cc1 102047937 NJRBXUROYKFGPE-GOSISDBHSA-N 317.396 3.654 0 40 DHAB O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1C[C@H]2CC[C@H]1C2 106167664 URLNEFRHRKGBJM-BSLXNSKLSA-N 320.230 3.564 0 40 DHAB CC(C)(C)c1ccc(OC(=O)NC(=S)c2cccnc2)cc1 107972156 BYDIKNJASWPKNX-UHFFFAOYSA-N 314.410 3.843 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1C=NN=C12 118917956 ZOWUNTLIFRDPAL-AAXTVUCJSA-N 312.457 3.977 0 40 DHAB CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)c1cccnc1 154027227 FAQBNHALURRGKW-LLVKDONJSA-N 308.337 3.773 0 40 DHAB Cc1cccc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 223719896 LXHSGVSTEGBHBQ-UHFFFAOYSA-N 317.454 3.741 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](Cc2ccccc2F)C(=O)O)c1 225052214 JLHLOPODMPKZRK-QGZVFWFLSA-N 302.345 3.826 0 40 DHAB CCOC(=O)c1cccc(NC(=S)NC2CCCCC2)c1C 225278905 BQXUMCYKEYWWTK-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB COc1ccccc1CCCNC(=S)Nc1ccccc1F 225549772 RSDKUSRHSVWSNP-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB Cc1ccc(N(C)C(=O)c2cnn(Cc3ccccc3)c2)cc1C 225889139 QZMYPQYLVZQDCY-UHFFFAOYSA-N 319.408 3.825 0 40 DHAB O=C(O)/C=C/c1ccc(Cl)c(NC(=O)c2ccccc2)c1 226357116 MPAIVRGXSGOCJQ-VQHVLOKHSA-N 301.729 3.690 0 40 DHAB O=C(c1coc(-c2ccccc2Cl)n1)N1CCC[C@@H](F)C1 521262795 XITMWDTYFGOCKQ-SNVBAGLBSA-N 308.740 3.569 0 40 DHAB Oc1nc(Cl)cc(N2CCCC[C@@H]2Cc2ccccc2F)n1 585123311 KUTHJTDJALDTQA-GFCCVEGCSA-N 321.783 3.576 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1776000776 JISNPADNGSTMIU-OAHLLOKOSA-N 321.424 3.653 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)cc1 175218 CEPRSZRFLSFYFO-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccccc1 421868 UGTXLFGJFXRDIN-UHFFFAOYSA-N 314.341 3.851 0 40 DHAB CCC[C@@H]1Cc2c(sc3nc(SCC)nc(N)c23)CO1 554676 CWCUOTLMBMXMIH-MRVPVSSYSA-N 309.460 3.627 0 40 DHAB CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccc(N(C)C)cc1 2278649 XQDRDULEIIKPRS-HNNXBMFYSA-N 315.350 3.787 0 40 DHAB CCCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 2459497 UOBXJPYFQYVTRQ-UHFFFAOYSA-N 322.430 3.522 0 40 DHAB Cc1cc(C)cc(OCC(=O)NCc2ccc(Cl)cc2)c1 3453962 KNDHZZGOGOZIHO-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB COc1ccccc1NC(=O)COc1cccc2ccccc12 4666191 CRXXJPGXQDOWCB-UHFFFAOYSA-N 307.349 3.866 0 40 DHAB CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 4902071 GZWKOVYDQDIEES-IBGZPJMESA-N 324.424 3.656 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccccc1 5539480 KLLQSLHVDSDMSX-UHFFFAOYSA-N 321.332 3.690 0 40 DHAB CCCOc1cc(C)c(C(=O)O[C@H](C)CN2CCCC2)c(C)c1 5560736 ZVYFJIBPPYCIQV-MRXNPFEDSA-N 319.445 3.733 0 40 DHAB COc1ccc([S@](=O)Nc2cc(C)cc(C)c2)c(OC)c1C 5724841 ZXIBQEWZCTVUTQ-JOCHJYFZSA-N 319.426 3.764 0 40 DHAB O[C@H](CNC1CCCCCC1)COCc1ccc(Cl)cc1 6937344 VDUBQYXWVHZJPG-QGZVFWFLSA-N 311.853 3.530 0 40 DHAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc(C)cs1 7195411 VCRBWCVVVPQLST-GHMZBOCLSA-N 324.475 3.738 0 40 DHAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C(F)(F)F 7387582 HDERVNAMNFEEHL-UHFFFAOYSA-N 306.715 3.831 0 40 DHAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCc2ccccc21 7600747 ZQQIKGUJTJYGBS-LFPRZYRFSA-N 324.468 3.523 0 40 DHAB Cc1cccn2cc(CSc3ncnc4ccccc34)nc12 8011728 JKRVOOPJFZFQRL-UHFFFAOYSA-N 306.394 3.878 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 8723384 QPUDIKHFCJDYJM-UHFFFAOYSA-N 311.429 3.851 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=S)Nc2ccccc2)c1 10113677 SYAZOUYJZGGKCC-UHFFFAOYSA-N 314.410 3.981 0 40 DHAB Cc1occc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11418337 LOILIDCJKMLQNX-UHFFFAOYSA-N 318.760 3.621 0 40 DHAB CSc1cccc2sc(NC(=O)c3cc(C)no3)nc12 12422465 HOVHOKNWEBXDRU-UHFFFAOYSA-N 305.384 3.567 0 40 DHAB COc1ccc(C(N)=O)c(OCc2ccc(C(C)(C)C)cc2)c1 12763473 WMTQCSVWUBAKJG-UHFFFAOYSA-N 313.397 3.671 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc2ncccc12 12908520 PKSMXJZWKBCPFC-UHFFFAOYSA-N 301.349 3.897 0 40 DHAB Cc1ccc(CNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 12997624 MFJWBIJHMSEGBL-UHFFFAOYSA-N 322.412 3.559 0 40 DHAB COc1ccc([C@@H](C)NC(=S)Nc2ccccc2)cc1OC 13932302 VJUYABMJBMOETL-GFCCVEGCSA-N 316.426 3.751 0 40 DHAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)C(C)(C)C 14258094 BKDXADYNCZEZGS-UHFFFAOYSA-N 308.385 3.714 0 40 DHAB Fc1cccc(F)c1C1=NN=C(Nc2ccccc2)SC1 15404662 SOTKDJFSRNYWKY-UHFFFAOYSA-N 303.337 3.884 0 40 DHAB CC(C)[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 15549902 IPIKXRHLVLBQJO-SFHVURJKSA-N 318.367 3.890 0 40 DHAB Cn1ccs/c1=N\C(=O)Cc1coc2ccc3ccccc3c12 16044350 PIIPSBOBCXOLLY-HNENSFHCSA-N 322.389 3.656 0 40 DHAB COc1ccc(CN(C)C(=S)Nc2ccc(C)cc2)cc1 16308119 GXCLBNWAEBNPIA-UHFFFAOYSA-N 300.427 3.832 0 40 DHAB Cc1ccsc1CN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 16346561 DNTMWZRVBNXDIU-HUUCEWRRSA-N 316.470 3.754 0 40 DHAB CC1CCN(Cc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)CC1 20452820 CEQORBVDFWFPFW-QGZVFWFLSA-N 314.473 3.791 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2cccs2)cc1Cl 20455729 SHRDQOOWJUXDKY-UHFFFAOYSA-N 309.774 3.831 0 40 DHAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(SC)c2)c1 20494733 IIRWUGJGXLGOTF-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB Cc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1C 20899400 JQHQTOJVYNGSOJ-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB CSc1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1 22234185 OMWCSSKUUKOLBW-UHFFFAOYSA-N 324.405 3.513 0 40 DHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccnc(Cl)c1 24993253 ADBGJYTXCLEIIW-NSHDSACASA-N 304.777 3.543 0 40 DHAB CCc1cc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)sc1C 25155839 LDTQOFQIZNYDHL-UHFFFAOYSA-N 312.398 3.656 0 40 DHAB COCc1cccc(NC(=O)COc2ccccc2Cl)c1 25334912 NDSNGDTULVZOLJ-UHFFFAOYSA-N 305.761 3.504 0 40 DHAB CONC(=O)c1cccc(CSc2ccc(Cl)cc2)c1 25821867 SNLFNENKIUQULA-UHFFFAOYSA-N 307.802 3.924 0 40 DHAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(F)cc1Cl 32754899 FGNMUEIQBBUHQD-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB O=C(NCCSc1ccc(Cl)cc1)NCc1ccco1 32841356 RTFZUMWURIMKBB-UHFFFAOYSA-N 310.806 3.525 0 40 DHAB O=C(O)[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 35297102 NIWSKXJJRPIBMI-SNVBAGLBSA-N 309.818 3.851 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1F 36385441 FMYYHOIKDMDTLV-VAMANMQVSA-N 305.393 3.788 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(N)cc2Br)c1 36738559 ZWZQSTUVJXJNIH-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1Cl 40086416 LUAOJERRUSYTGG-HNNXBMFYSA-N 322.767 3.643 0 40 DHAB c1ccc(-n2ncc(CN(Cc3ccco3)C3CCCC3)n2)cc1 58157975 JCXCSWPZRXUWNB-UHFFFAOYSA-N 322.412 3.805 0 40 DHAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@H]2CCCC[C@H]21 58418816 AZQFNKYMBRLIAG-CRAIPNDOSA-N 321.424 3.938 0 40 DHAB COc1ccc([C@H](C)NC(=O)COc2cccc(C)c2C)cc1 59351905 DCACWLPBHVHIMO-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB O=C(Cc1ccccc1O)Nc1cccc(COCC2CC2)c1 60358987 ITKIZKSSEFBAFP-UHFFFAOYSA-N 311.381 3.500 0 40 DHAB Cc1ccc(CN(C(=O)NCc2cccnc2)C(C)C)s1 63274283 LJRSIWVDCHYPMP-UHFFFAOYSA-N 303.431 3.572 0 40 DHAB C[C@@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 68782165 HBZJGHOKYVTRDI-GFCCVEGCSA-N 323.820 3.764 0 40 DHAB CCN(Cc1ccoc1)C(=O)NCc1ccc(OC(F)F)cc1 69874957 GBKOODAPXFUZND-UHFFFAOYSA-N 324.327 3.613 0 40 DHAB Cc1cc(C(=O)NC[C@H](O)c2cccc3ccccc23)c(C)o1 70635938 WIQDDVBRIATFRJ-SFHVURJKSA-N 309.365 3.513 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(OCc3nnc(C)o3)cc2)c1 72276842 GUMSNBIRCHMYOK-UHFFFAOYSA-N 323.352 3.518 0 40 DHAB CCN(CC)CCN(Cc1ccccc1)Cc1c(C)noc1C 72308258 FZBXTYQXUJYBFW-UHFFFAOYSA-N 315.461 3.635 0 40 DHAB CC(C)c1ccc2nc([C@@H]3CSCCS3)[nH]c(=O)c2c1 79913426 YTQFOCQPGMGRMZ-ZDUSSCGKSA-N 306.456 3.568 0 40 DHAB C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CN(C)C 81281770 WKCZUTDULHSPIE-VGMNTSGFSA-N 322.452 3.991 0 40 DHAB CC(C)OCCCN1C(=O)CC[C@@H]1c1c[nH]c2ccccc12 85430372 CCTKJNVTMGMWNP-QGZVFWFLSA-N 300.402 3.647 0 40 DHAB CC(C)n1ccc2cc(C(=O)N[C@H]3CCOC(C)(C)C3)ccc21 85876093 PISFKTHSCZCBPG-INIZCTEOSA-N 314.429 3.910 0 40 DHAB biogenic CC(=O)c1csc(C(=O)N(C)c2cccc3ncccc23)c1 89844019 AIXDJWCXPRNZNG-UHFFFAOYSA-N 310.378 3.776 0 40 DHAB C[C@H](C(=O)Nc1cccnc1-c1ccccc1)C1CCOCC1 95975150 WLUGHJHYOQBRBP-AWEZNQCLSA-N 310.397 3.750 0 40 DHAB COc1ccc(CN2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)cc1 96058314 PTOULLKYIUEFKL-ACRUOGEOSA-N 322.452 3.527 0 40 DHAB O=C(c1ncoc1-c1ccco1)N(Cc1ccccc1)C1CC1 96406123 RYRDQCKNZGTCEE-UHFFFAOYSA-N 308.337 3.739 0 40 DHAB COC[C@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C1 96417975 DKJHFMQRSFBLFG-AWEZNQCLSA-N 318.417 3.508 0 40 DHAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccccc1 101291501 CYRZTMVTPZWDAG-DOPJRALCSA-N 323.392 3.850 0 40 DHAB O=c1c2ccc(Br)cc2ccn1Cc1ccccc1 118086463 DAGABNNMLDZJPR-UHFFFAOYSA-N 314.182 3.812 0 40 DHAB CCc1ccc(CCC(=O)NCCOc2ccc(F)cc2)cc1 224596262 WYNGSWWJHCCGBK-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB COc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1F 225389998 AYYFCXVYNIJNEV-UHFFFAOYSA-N 301.361 3.505 0 40 DHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c2ccccc12 225797581 VLAPBLARQBMWLE-GOSISDBHSA-N 301.386 3.992 0 40 DHAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCCCCC2)n1 225918199 ICXSGNSGNDZWPI-UHFFFAOYSA-N 324.428 3.853 0 40 DHAB O=C(c1cc(Br)ccc1F)C(F)(F)C(F)(F)F 236216016 ODTQTWLFVJCCPY-UHFFFAOYSA-N 321.014 3.969 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@H]3C[C@@]13CC[C@H]2C[C@H]1CCCC[C@]13O4 247716942 NYWUQKFITQFOEY-FPNLOETNSA-N 304.430 3.741 0 40 DHAB biogenic O=C(OCc1ccccc1)N1CCC[C@@H]1c1cc(Cl)cnn1 256053901 UCAYRGPYAUWYNM-OAHLLOKOSA-N 317.776 3.604 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)CCc1cccc(Cl)c1 558417726 RNOABHHBSNATTH-UHFFFAOYSA-N 317.772 3.918 0 40 DHAB NCCC[C@H](NCc1cnc(C2CC2)s1)c1ccccc1 579208277 SHKNUXRSQNGFAX-INIZCTEOSA-N 301.459 3.590 0 40 DHAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2C)cc1 422187 CTPKJVXHHPQCCL-UHFFFAOYSA-N 323.421 3.766 0 40 DHAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1COc2ccccc2O1 563657 SBTKJRXGVZQUHF-AWEZNQCLSA-N 324.163 3.772 0 40 DHAB COc1cnc(-c2ccccn2)nc1Oc1ccc(F)cc1F 1381762 SZFQNMKRXGGHRJ-UHFFFAOYSA-N 315.279 3.618 0 40 DHAB CCOC(=O)Cn1c2ccc(CC)cc2c2nc(C)sc21 2219307 JUKRYHFGHDNAMK-UHFFFAOYSA-N 302.399 3.685 0 40 DHAB Cc1cccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C)c1C 2713226 YFVIMHLQUGUNPY-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB O=C(Nc1nnc(SCc2ccccc2F)s1)C1CCC1 3561627 AGVKLUTXLGKNGA-UHFFFAOYSA-N 323.418 3.708 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)o2)cc1 4264957 SSGTXNJMBJTWRC-UHFFFAOYSA-N 322.368 3.681 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 5169598 LIKWDLJLJKEZLO-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB CCc1noc(C)c1C(=O)OCC(=O)c1ccc2ccccc2c1 5391301 FMMZFMBUDCBUSK-UHFFFAOYSA-N 323.348 3.738 0 40 DHAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)C2)cc1 5639287 WVIQTDLCMKFQJO-SFHVURJKSA-N 312.344 3.532 0 40 DHAB Cc1ccc(C(=O)CCCC(=O)c2ccc(C)cc2O)c(O)c1 5927740 FOWCFPMBXRSYPP-UHFFFAOYSA-N 312.365 3.951 0 40 DHAB CSc1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2 5981188 WECQPSRETWGYSU-UHFFFAOYSA-N 316.470 3.750 0 40 DHAB Cc1ccc(C)c(NC(=O)COc2cccc3cccnc23)c1 6127982 LNJWYDNPIUXIKR-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(Cl)cc1 7644602 FBUMLMNGCUSPAO-LLVKDONJSA-N 307.752 3.735 0 40 DHAB Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1 7757156 LAKLHPQFGPXRHB-UHFFFAOYSA-N 312.388 3.737 0 40 DHAB CSCC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 8746273 BODYLQIJPQFTKB-UHFFFAOYSA-N 321.402 3.503 0 40 DHAB Cc1cc(-c2csc(NC(=O)c3cnccn3)n2)c(C)s1 9743301 GICBYZVXGUCFOO-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB Cc1cc2c(cc1CN(C)Cc1cccc3ncccc13)OCO2 12191743 PVQKFBUQBJALRW-UHFFFAOYSA-N 320.392 3.904 0 40 DHAB Cc1ccc(F)c(NC(=O)c2cncn2-c2ccc(F)cc2)c1 12531379 JPKIVSJPLPROQK-UHFFFAOYSA-N 313.307 3.711 0 40 DHAB O=C(CSc1ccc2ccccc2c1)NCCc1ccccn1 12537833 IWWULBUHWPBZIR-UHFFFAOYSA-N 322.433 3.686 0 40 DHAB O=C(NC1CC1)[C@H](Nc1ccc(F)c(Cl)c1)c1ccccc1 13000506 LWQZEVKSYNTODJ-MRXNPFEDSA-N 318.779 3.911 0 40 DHAB O=C(NC1CC1)[C@@H](Sc1ccccc1F)c1ccccc1 14167151 AUHRYYIGSGOXIY-INIZCTEOSA-N 301.386 3.938 0 40 DHAB CCN(CC(=O)NCc1cccs1)Cc1ccccc1Cl 15295338 MZLKMYPHNNPQIO-UHFFFAOYSA-N 322.861 3.540 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1ccccc1Br 16027398 JNRPUBOXHWVKGD-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB CC(=O)O[C@H]1Cc2ccccc2[C@H](OC(C)=O)Cc2ccccc21 16918840 LUAJVZPATZBQGQ-BGYRXZFFSA-N 324.376 3.694 0 40 DHAB O=C(NCc1ccncc1)c1ccc(-c2ccc(F)cc2)s1 22645460 DJHZUDYRKNKLNP-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB CCSc1ccccc1C(=O)NCCOc1cccc(C)c1 23693445 GEMKUMICCZYVPW-UHFFFAOYSA-N 315.438 3.916 0 40 DHAB Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)oc(C)c3C)cn2)n1 24588172 NPTQSSOURCOCLX-UHFFFAOYSA-N 324.384 3.655 0 40 DHAB Cc1cc(C)c(NC(=O)CNc2nc3ccccc3o2)c(C)c1 24828571 LFDYVPMVMRWXAW-UHFFFAOYSA-N 309.369 3.804 0 40 DHAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)C1CC1 28305083 WXXQHALCSSYRQK-UHFFFAOYSA-N 310.184 3.587 0 40 DHAB C[C@H]1CCc2sc(C(=O)N[C@H](C)c3ccccn3)cc2C1 28780165 QPLWGYZUPXUCSR-NWDGAFQWSA-N 300.427 3.759 0 40 DHAB COC(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1Cl 31055011 GPWXTKAKZXEKOB-UHFFFAOYSA-N 317.772 3.996 0 40 DHAB O=C(N[C@H]1CCSc2ccccc21)Nn1cnc2ccccc21 32795057 SJEHNJUHXNEDQD-ZDUSSCGKSA-N 324.409 3.527 0 40 DHAB CC[C@@](C)(Nc1ccccc1)c1nnnn1-c1cccc(C)c1 35622129 SJPARASPZZUIHJ-GOSISDBHSA-N 307.401 3.708 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccnc(Cl)c1 37978848 PDANDQUIVMIMEP-LBPRGKRZSA-N 306.818 3.946 0 40 DHAB O=C(Nc1c(F)cccc1F)N1CCO[C@H](c2ccccc2)C1 38569933 LSUDASYQAHKTCN-HNNXBMFYSA-N 318.323 3.570 0 40 DHAB O=C(O)c1ccccc1-c1nnc(-c2ccccc2Cl)o1 39219448 GQZDHSAELUMAAQ-UHFFFAOYSA-N 300.701 3.755 0 40 DHAB O=C(Nc1nncs1)c1ccccc1CCc1ccccc1 40883001 AOOHFZZJHBICRH-UHFFFAOYSA-N 309.394 3.576 0 40 DHAB CC(C)(C)n1nc(C(=O)N2CCc3ccccc3C2)cc1C1CC1 42736732 GQMJJKCWBWPQAM-UHFFFAOYSA-N 323.440 3.714 0 40 DHAB COc1ccc(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)cc1 42790960 NHSXRFQTBIYGAI-GOSISDBHSA-N 312.413 3.562 0 40 DHAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CC(C)(C)C)n2)C1 45754536 PCLZXTMCPKYUND-STQMWFEESA-N 323.506 3.996 0 40 DHAB Cc1nnc(SCc2ccc(Cl)cc2)nc1/C=C/N(C)C 49952267 RHBYHXLJTKFAOR-CMDGGOBGSA-N 320.849 3.658 0 40 DHAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1cccs1 65434084 YLSKVBYGJXJZIR-JSGCOSHPSA-N 304.415 3.819 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccc[nH]1 71818743 FVNYWFPVBRKEGN-OAHLLOKOSA-N 322.330 3.940 0 40 DHAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccccc2C)c1 72329141 HPRPBSMHHBFZOO-UHFFFAOYSA-N 305.381 3.624 0 40 DHAB Cc1cc(C)c(CNCc2nc(-c3cccs3)n[nH]2)cc1C 76017864 RGEPVVQZJGFRAI-UHFFFAOYSA-N 312.442 3.748 0 40 DHAB CC(C)N(CC(F)(F)F)C(=O)c1ncoc1-c1cccs1 78658552 SEJYVFQTVKPAGN-UHFFFAOYSA-N 318.320 3.816 0 40 DHAB COC(=O)c1sccc1CN(Cc1cccs1)C1CC1 79072711 DQASCXJBEAJUAC-UHFFFAOYSA-N 307.440 3.761 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80345124 NSDAPNSMXMCRHH-CABCVRRESA-N 309.365 3.508 0 40 DHAB CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@@H](C)C(C)C)s1 86428808 WICNICMXXIERSK-RYUDHWBXSA-N 309.479 3.985 0 40 DHAB FC(F)(F)c1ccc(N2CCSC2)cc1Br 95081151 BISQGGAIXRFUSN-UHFFFAOYSA-N 312.154 3.979 0 40 DHAB Cc1occc1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 95418202 IPLGWZSFLSGKSH-ZBFHGGJFSA-N 317.385 3.690 0 40 DHAB CCC(CC)n1ccc(C(=O)Nc2ccnn2C2CCCC2)n1 95971874 PAUNJAUTUDJOCG-UHFFFAOYSA-N 315.421 3.808 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)CCn2ncc3ccc(Cl)cc32)C1 96181974 KGUDWFVXJPRXHF-BETUJISGSA-N 319.836 3.584 0 40 DHAB C[C@@H]1C[C@@H](N(C)CCc2ccncc2)CCN1Cc1ccccc1 96414926 ZIVXBPAXOUVBBE-NQIIRXRSSA-N 323.484 3.609 0 40 DHAB CC(C)c1nnc(CCC(=O)N2CC[C@@H](C)CC[C@@H]2C(C)C)o1 96446324 UCTZMJBLZZJEKB-LSDHHAIUSA-N 321.465 3.799 0 40 DHAB CC1CCC(CN(C)C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)CC1 97012052 OOGQGRLYLLMNAG-SJJHQCBESA-N 310.482 3.515 0 40 DHAB CC[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccs1 97234555 DOGQEFKLVUFHED-UONOGXRCSA-N 318.446 3.859 0 40 DHAB Cc1ccc(-n2nnnc2/C=C\Nc2ccc(Cl)cc2)cc1 100209612 GBHWRTFWGVYJSS-KHPPLWFESA-N 311.776 3.707 0 40 DHAB CC(C)(C)SCCNC(=O)COc1cccc2c1CCCC2 223208544 SUBDSJZYNVZWLY-UHFFFAOYSA-N 321.486 3.592 0 40 DHAB Cc1ccc(C[C@H](OCc2ccccc2)C(=O)O)cc1Cl 225081763 NGZYADNQLSHVMY-INIZCTEOSA-N 304.773 3.861 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1ccc(OC)c2ncccc12 225384687 BKBGJZAHPXEHQM-LLVKDONJSA-N 303.431 3.718 0 40 DHAB CCCNC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 225410451 SEBUMIBCTJFVCV-UHFFFAOYSA-N 301.434 3.711 0 40 DHAB O=C(Cc1ccccc1Cl)NCCSCc1ccco1 225435604 XDJBCDQOCCHYQH-UHFFFAOYSA-N 309.818 3.525 0 40 DHAB CCOc1c(C)cc(NC(=O)C2(OCC)CCCC2)cc1C 225707792 UDOFRZHDYXBWSI-UHFFFAOYSA-N 305.418 3.990 0 40 DHAB Clc1ccc(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)cc1 226761268 WLPBMOQWAGSSNP-CQSZACIVSA-N 300.745 3.507 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@H](O)/C=C/c1ccccc1 306145372 CRZLQIVTKXZUSS-OCHBPSSRSA-N 320.272 3.920 0 40 DHAB N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C(F)(F)F)cc1 382695821 RHVLEHJTSYWVDW-DLBZAZTESA-N 320.358 3.632 0 40 DHAB O=C(O)c1cn(Cc2cccc3ccccc23)nc1C(F)(F)F 408717627 LDGUUPHCHAKIBN-UHFFFAOYSA-N 320.270 3.802 0 40 DHAB CC1(C)C[C@H](c2nc(-c3ccccn3)no2)c2ccccc2O1 516959757 QILSNDXEDRNJQP-ZDUSSCGKSA-N 307.353 3.825 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(Br)cc1F 575362268 QVMSBFZPJKLRPF-UHFFFAOYSA-N 317.154 3.504 0 40 DHAB C[S@](=O)c1c(Cl)cccc1NC(=O)CSC(C)(C)C 583650506 MBCTVRAQMKITKP-IBGZPJMESA-N 319.879 3.548 0 40 DHAB O=C(/C=C/c1ccccc1)NCC(c1ccco1)c1ccco1 675007700 ISLGSQAFGFRJNC-ZHACJKMWSA-N 307.349 3.834 0 40 DHAB FC(F)(F)COc1cnc2ccc(Br)cc2c1 685937683 NWCABRPUKXDXOV-UHFFFAOYSA-N 306.081 3.938 0 40 DHAB c1ccc2nc(N3CC(n4cnc5ccccc54)C3)ccc2c1 1775974584 WJMPSFZLZXWTAO-UHFFFAOYSA-N 300.365 3.646 0 40 DHAB O=Cc1nc(Br)c(-c2ccc(C(F)(F)F)cc2)[nH]1 1857794630 DQPHXLVJHPSCFD-UHFFFAOYSA-N 319.080 3.671 0 40 DHAB CCOC(=O)Oc1c(Cl)cc2oc(=O)sc2c1Cl 192000 OAYQQSYWHCMOSP-UHFFFAOYSA-N 309.126 3.697 0 40 DHAB O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1 482429 FBIOQTMRRMMJMV-UHFFFAOYSA-N 324.307 3.724 0 40 DHAB CC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N 502225 RFRSNPNFAVILGX-UHFFFAOYSA-N 319.817 3.616 0 40 DHAB CC[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1 1469201 WEJUKMLGDONMRQ-CQSZACIVSA-N 310.235 3.783 0 40 DHAB Cc1cc(CC(O)(C(F)(F)Cl)C(F)(F)Cl)cc(C)n1 1614913 LZUVAJDQVUTZNW-UHFFFAOYSA-N 320.113 3.635 0 40 DHAB O=C(Cc1ccccc1)NCCSc1c[nH]c2ccccc12 2720988 MHGOOIRAZIEGFV-UHFFFAOYSA-N 310.422 3.619 0 40 DHAB O=C(CCSc1ccccc1C(=O)O)Nc1ccc(F)cc1 3233376 QDVKDBVOTVVRHL-UHFFFAOYSA-N 319.357 3.645 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1 3559854 PKIGUBXXEKGGKZ-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB O=C(c1cccs1)N1CCN=C1SCc1ccccc1F 4120565 IBMGYALXGPQPMF-UHFFFAOYSA-N 320.414 3.632 0 40 DHAB CC[C@H](c1ccccc1)c1nn2c(-c3ccco3)nnc2s1 4938833 XMVZMOJGOZKSTL-GFCCVEGCSA-N 310.382 3.988 0 40 DHAB CCOC(=O)N1C[C@H]2CCc3c(ccc4ccccc34)N2C1=O 4994322 FIPVWUODQUBAAW-CYBMUJFWSA-N 310.353 3.553 0 40 DHAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(C)c2)c1C 5054376 VNUBHOVYLZWFIH-UHFFFAOYSA-N 314.385 3.677 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2Cl)c1 5474507 SDEJBMCXQABLRV-UHFFFAOYSA-N 317.816 3.960 0 40 DHAB CCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 5524960 JNXCKWVCYQDYBI-UHFFFAOYSA-N 308.447 3.635 0 40 DHAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CCCC[C@H]1C 5628417 XXFFNUBOFHXZRJ-JHJVBQTASA-N 317.458 3.738 0 40 DHAB Oc1ccc(-c2n[nH]c(=S)n2-c2ccc(Cl)cc2)c(O)c1 6659504 IXPQFNYRMBPQBL-UHFFFAOYSA-N 319.773 3.661 0 40 DHAB Cc1noc(C)c1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 8316569 MWVRIYJKYCGPCX-UHFFFAOYSA-N 316.445 3.557 0 40 DHAB CC(=O)c1cccc(NC(=O)c2ncc(-c3ccccc3)o2)c1 9321333 NFJJOZZQRXIVFT-UHFFFAOYSA-N 306.321 3.797 0 40 DHAB CSc1nc2ccccc2c2nc(-c3ccc(C)cc3)nn12 9576640 BKEJKJATAHEVGZ-UHFFFAOYSA-N 306.394 3.975 0 40 DHAB Cc1ccc(-c2nc(C(=O)NOCc3ccccc3)cs2)cc1 10319092 QSYVEAZFGTVHHR-UHFFFAOYSA-N 324.405 3.980 0 40 DHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccccc1 10402682 DFWQJUJSILCHHW-ZDUSSCGKSA-N 322.412 3.812 0 40 DHAB C[C@@H]1Cc2cc(-c3cn4ccccc4n3)ccc2N1C(=O)C1CC1 12088192 VFYDEMAZPLLCST-CYBMUJFWSA-N 317.392 3.689 0 40 DHAB Cc1cc(-c2cnc(N3CCCC3)nc2-c2ccc(C)o2)on1 12186028 LWYMMFGJUYVEGA-UHFFFAOYSA-N 310.357 3.609 0 40 DHAB CC(=O)N[C@H](CC(=O)Nc1ccccc1Cl)c1cccs1 14093208 NBKUMFHBYZEBNH-CYBMUJFWSA-N 322.817 3.608 0 40 DHAB O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1 14960288 DTMZXHDQZQLTHA-UHFFFAOYSA-N 324.315 3.801 0 40 DHAB C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CC1 18207936 CRPVDYBPOVXCBU-CYBMUJFWSA-N 305.381 3.554 0 40 DHAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 20141913 LESHNSCBYOIUTK-LBPRGKRZSA-N 313.353 3.814 0 40 DHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(F)cc1 20482975 VQHXEAQDOBAXAQ-GOSISDBHSA-N 315.388 3.916 0 40 DHAB COc1ccc(Cl)cc1C(=O)N1c2ccccc2C[C@H]1C 20836796 FGMKIHHWOJROJG-LLVKDONJSA-N 301.773 3.940 0 40 DHAB CCOC(=O)Nc1cccc(OCCOc2ccc(F)cc2)c1 20865999 CDICLTHRRQEFMR-UHFFFAOYSA-N 319.332 3.852 0 40 DHAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccccc3)no2)c1 21122402 LEGLCVNKEKFQNI-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB Cc1ccc(-c2c(C(F)(F)F)nn3c(O)cc(C)nc23)cc1 21799392 TXDGNALTFNTBOV-UHFFFAOYSA-N 307.275 3.738 0 40 DHAB COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)c1 22524788 UVHHJLHDGSWHHH-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1 22530963 UOQMGLILVITYNC-RZIFZGNASA-N 323.392 3.923 0 40 DHAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1c1ccccc1 22551882 LEBYCTKNXIWWPL-GOSISDBHSA-N 303.365 3.607 0 40 DHAB CCCOc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1 23234461 ODPKTIUTPIAXAS-UHFFFAOYSA-N 308.381 3.887 0 40 DHAB Cc1[nH]c2c(F)cccc2c1CCNC(=O)Cc1cccs1 32611452 ZGXKXOWYVZDOCP-UHFFFAOYSA-N 316.401 3.578 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)N1CCc2ccccc2C1 32924023 NATZNQYLDMRGGV-UHFFFAOYSA-N 300.427 3.773 0 40 DHAB C[C@@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@H]12 33860446 SZKJPNYYJWKGMH-OAECSROHSA-N 306.446 3.686 0 40 DHAB CC(=O)c1nnc(-c2ccc(Cl)cc2)n1Nc1ccccc1 36649183 ACVOWWATYHIEJA-UHFFFAOYSA-N 312.760 3.676 0 40 DHAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(C)cc1C 38756858 XONSQWBUGFSYTI-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB CC(=O)c1cccc(N[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 40005407 RPQBOKGMJFXCFG-HUUCEWRRSA-N 324.424 3.610 0 40 DHAB C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1cccs1 40121053 GBWRMIYEESQEAG-LBPRGKRZSA-N 316.430 3.626 0 40 DHAB CC(C)Nc1nc(C(=O)Nc2ccc3[nH]ccc3c2)cs1 40266888 MEOXHLHZDJYICV-UHFFFAOYSA-N 300.387 3.697 0 40 DHAB CC(C)Cc1noc(CN(C)Cc2nc3ccccc3s2)n1 42679717 JBEQANYKCOVQLG-UHFFFAOYSA-N 316.430 3.510 0 40 DHAB Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccncc2)c(C)c1 48355470 WRQBMYKXKGOUHE-UHFFFAOYSA-N 324.424 3.676 0 40 DHAB C[C@@H](c1ccc(OC(F)F)cc1)S(=O)(=O)C1CCCC1 63861227 JCQPTXJQLQPSOH-JTQLQIEISA-N 304.358 3.706 0 40 DHAB Cc1ccc(NC(=O)NCc2nc(-c3ccncc3)cs2)cc1 69737564 XSPJJGJWYQDJMH-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB COc1ccc(NC(=S)Nc2ccccc2OC)cc1F 71760490 LMQGLCNLHNPNDD-UHFFFAOYSA-N 306.362 3.652 0 40 DHAB C[C@H](C1CC1)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 71804871 IYVHTQIAFBJKIT-SNVBAGLBSA-N 303.793 3.601 0 40 DHAB CC(C)Cc1nnc([C@@H](C)Sc2ncc3ccccn23)o1 71893921 SMJNUHSAYHDWMO-LLVKDONJSA-N 302.403 3.769 0 40 DHAB C=COCCCNc1ncc(-c2cc(C)no2)c(C(C)(C)C)n1 72341141 CFFGSUGHCSIRJK-UHFFFAOYSA-N 316.405 3.700 0 40 DHAB Cc1cc([C@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n[nH]1 78902453 GWIQZGRIQKPCJF-IRXDYDNUSA-N 323.440 3.544 0 40 DHAB CCC(C)(C)NC(=O)Cn1cc(-c2ccccc2)nc1SC 79061249 QKGSYUJKVTZTHP-UHFFFAOYSA-N 317.458 3.577 0 40 DHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2C1CCCCC1 79480362 AVVCCVVDSWYJSF-ZDUSSCGKSA-N 309.435 3.714 0 40 DHAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H]1C=C[C@H](CO)C1 81507999 GUAAPNJKEBWIDP-WCQYABFASA-N 322.836 3.523 0 40 DHAB COc1cc(C(F)(F)F)cc(C(F)(F)F)c1/C=C/C(=O)O 83311990 PTUWLIBPYACYPQ-NSCUHMNNSA-N 314.181 3.831 0 40 DHAB CN(CC(F)F)C(=O)Nc1ccccc1N(C)C1CCCC1 83859013 OXQUAIATVRMULW-UHFFFAOYSA-N 311.376 3.794 0 40 DHAB CC[C@@H](c1ccncc1)N(C)Cc1nnc(-c2cccs2)o1 89947966 WBYOVJCTZIPUIW-ZDUSSCGKSA-N 314.414 3.776 0 40 DHAB CCOc1ccccc1C1=CCN(Cc2cncs2)CC1 92644381 VREVLBNLLYARBH-UHFFFAOYSA-N 300.427 3.831 0 40 DHAB Cc1ccc([C@@H]2CN(Cc3ccc(-c4cccnc4)o3)CCO2)o1 93864671 XMLXNACAVVGONC-IBGZPJMESA-N 324.380 3.817 0 40 DHAB O=C([C@@H]1SCCc2sccc21)N1CC[C@H](c2ccco2)C1 95403542 BQVLJUDQVWDOPC-XHDPSFHLSA-N 319.451 3.688 0 40 DHAB CC[C@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccncc1 95968437 COYYQBARUNWOIM-KRWDZBQOSA-N 317.477 3.550 0 40 DHAB CC(C)N(C(=O)Cc1ccccc1OC(F)F)c1cccnc1 96410965 MORSXRCHCWVCEB-UHFFFAOYSA-N 320.339 3.667 0 40 DHAB CCO[C@@H](C)c1nc(-c2cc(C(=O)N(C)C)cs2)cs1 96433565 MYWRKIQISZOVBB-VIFPVBQESA-N 310.444 3.671 0 40 DHAB CC[C@@](C)(NC(=O)c1ccccc1)c1nc(C)c(C(C)=O)s1 96459118 QNSKVDVLASJIQJ-QGZVFWFLSA-N 316.426 3.709 0 40 DHAB C[C@@H](NCc1nc2ccccc2o1)c1ccc2c(c1)CCC(=O)N2 96491045 VSFMMTCENBNVBB-GFCCVEGCSA-N 321.380 3.563 0 40 DHAB C[C@H](NC(=O)N[C@H]1CCCc2sccc21)c1cccnc1 97161939 MZSCKRXXMQLMEF-FZMZJTMJSA-N 301.415 3.581 0 40 DHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)c(F)c1)CC2=O 100190212 DBJBTEZSUFMLON-IRXDYDNUSA-N 307.340 3.689 0 40 DHAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccccc1Cl 216952887 UJVIIZWMEAVVSD-UHFFFAOYSA-N 313.740 3.990 0 40 DHAB COc1ccc(O[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)O)cc1 225080465 DITGZDXJGYNXMA-INIZCTEOSA-N 320.772 3.732 0 40 DHAB COc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225102090 GFEYDZPWULLCPQ-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCC1 225596632 GDJOMZLRHRKJSD-UHFFFAOYSA-N 316.445 3.680 0 40 DHAB CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CCN[C@@H]3C[C@H]1C(C)(C)O2 257209889 BSHJMZPPWRVUKN-AHCXZYCDSA-N 315.457 3.963 0 40 DHAB c1ccc(-c2ncc(CN3CCCC[C@@H]3c3ccn[nH]3)cn2)cc1 257220532 DLDHFSAJBRIZLH-GOSISDBHSA-N 319.412 3.594 0 40 DHAB CC1(c2ncc(Cl)s2)CCN(Cc2cscn2)CC1 257324636 WPONFLDFWYZJJV-UHFFFAOYSA-N 313.879 3.807 0 40 DHAB COc1ccc2c(c1)N([C@H](C(=O)O)C(C)C)C(C)(C)C[C@H]2C 260625403 ZOVYAZFSWGIDMS-WBMJQRKESA-N 305.418 3.897 0 40 DHAB Cc1ccc2c(c1)nc(-c1ccc(Br)cn1)n2C 506256140 UUTCFXRVIABSIR-UHFFFAOYSA-N 302.175 3.706 0 40 DHAB C[C@H](N[C@H](C)[C@H]1CCOC1)c1ccc(C(F)(F)F)nc1Cl 521394536 PJRCCRQYDWQHAA-UTLUCORTSA-N 322.758 3.829 0 40 DHAB C[C@@H]1C[C@H](C(=O)N2CCC(c3ncco3)CC2)CC(C)(C)C1 585123795 RDPZLBBIIFNWBE-HIFRSBDPSA-N 304.434 3.843 0 40 DHAB CCOC(=O)c1nc2c(OC)cccc2c(Cl)c1Cl 685937045 IRENCJSWFMTIKS-UHFFFAOYSA-N 300.141 3.727 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1 380341 LNQQVRWJCIXADU-LLVKDONJSA-N 319.430 3.533 0 40 DHAB CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc(F)cc2)c1 482502 REHYXQNONAQWNA-UHFFFAOYSA-N 315.344 3.777 0 40 DHAB Cc1cccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1 2713258 QWCVRBPJZBVGQD-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1 2797564 VEJQIDWAOJEANC-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCC2 3443580 CQSWNGRLSCBXBK-UHFFFAOYSA-N 315.394 3.998 0 40 DHAB O=C1OCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 4581269 JPOPDQCDMWMRQU-UHFFFAOYSA-N 311.381 3.512 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 4701921 DAWKRZJWZRDNLA-CWSCBRNRSA-N 314.212 3.677 0 40 DHAB O=C(CCSc1ccccc1)NCCc1ccc(F)cc1 4740518 XADPKDMYQVGNRD-UHFFFAOYSA-N 303.402 3.667 0 40 DHAB CC1(C)[C@@H](C[C@H]2OC[C@H](CN3CCCCC3)O2)[C@H]2CC[C@@H]1C2 4862832 IUQYLYYXKZJRJM-ADHGMGHFSA-N 307.478 3.676 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)Nc1cccc(Cl)c1 5375246 DOTHQDPNBBBQDP-UHFFFAOYSA-N 304.733 3.991 0 40 DHAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1OCC 5466610 NTAGGONELQMFDR-UHFFFAOYSA-N 303.333 3.875 0 40 DHAB C[C@H]1[C@H](c2ccccc2)OCCN1C(=S)Nc1ccccc1 6481758 KFIHKFWVHAQLAG-WMLDXEAASA-N 312.438 3.845 0 40 DHAB COCCNc1nc(-c2ccccc2Br)cs1 7843660 JYSTZRBNSGTTRZ-UHFFFAOYSA-N 313.220 3.631 0 40 DHAB COc1ccccc1CNC(=O)c1csc(-c2ccccc2)n1 8061213 YGXJADRJEULEKO-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1F 8320590 MDLZHCPIIXAKFF-AWEZNQCLSA-N 304.390 3.663 0 40 DHAB C[C@H](O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 8382812 FKJFGXYWMKEKJF-NWDGAFQWSA-N 319.788 3.799 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VITZEDYMBLVZLH-GFCCVEGCSA-N 303.349 3.646 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NC(C(C)C)C(C)C)cc1 216372156 OMYKATLXPKREQY-ZDUSSCGKSA-N 309.475 3.973 0 40 DHAB Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCCC1 226275460 MKYQZLHDCIPNCT-UHFFFAOYSA-N 300.324 3.510 0 40 DHAB Cc1cc(NC(=O)C(F)(F)F)ccc1N1CCC(C)CC1 226275617 RGPLLHCFWIZWOS-UHFFFAOYSA-N 300.324 3.732 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1cccc(OCc2ccccc2)c1 394798771 RTVZMMPTHZLLKO-UHFFFAOYSA-N 312.365 3.790 0 40 DHAB CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(OC)c2)C1=O 409064093 GDJBOHOEDQCDQC-NTEUORMPSA-N 321.398 3.539 0 40 DHAB COc1ccccc1NC(=O)NCc1ccc(-c2ccoc2)o1 575610505 OWYJSCHCZGFLKT-UHFFFAOYSA-N 312.325 3.870 0 40 DHAB Cc1cnccc1O[C@@H]1CCN(c2nc3ccccc3s2)C1 2080936070 GNSYVMHVAYSFHY-CYBMUJFWSA-N 311.410 3.657 0 40 DHAB COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 55048 XIFKYRDUOSLKAZ-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB CC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 63633 QDGCOKBVADLZHM-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(=O)OC 134146 DMCSSIOVLCSNFB-UHFFFAOYSA-N 317.410 3.782 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 513715 GFEYPRPYFVGCRU-UHFFFAOYSA-N 302.761 3.941 0 40 DHAB CCN(CC)CCOC(=O)Nc1cc(Cl)cc(Cl)c1 1590761 OYFCCEIURUOVCE-UHFFFAOYSA-N 305.205 3.884 0 40 DHAB CCCCn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1784975 VROKGDVKCHRYIT-NSHDSACASA-N 319.474 3.804 0 40 DHAB COc1ccccc1C(=O)CCCCC1OCC(C)(C)CO1 2518066 MQIZKIVTXZLYPT-UHFFFAOYSA-N 306.402 3.837 0 40 DHAB CCOC(=O)CCCCCCC(=O)c1cc(OC)ccc1OC 2580431 XRNXATVMOSETEW-UHFFFAOYSA-N 322.401 3.790 0 40 DHAB CCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 2741549 ZBGYIWTVFVZYSR-NSHDSACASA-N 322.474 3.881 0 40 DHAB COc1cccc(-c2cc(C(F)F)c3c(C)nn(C)c3n2)c1 2745775 ZRTLSOLXJBDWRT-UHFFFAOYSA-N 303.312 3.890 0 40 DHAB O=C(Nc1cccc(Cl)c1)O/N=C/c1ccc([N+](=O)[O-])cc1 4358753 BESNCFYGGJUMQP-CXUHLZMHSA-N 319.704 3.831 0 40 DHAB Cc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(Cc2ccccc2)C(=O)N1 4852929 JXRHYNULHVDFOW-LPHOPBHVSA-N 308.381 3.760 0 40 DHAB O=C(CCn1cnc2ccccc21)Nc1ccc(F)c(Cl)c1 5209872 JSWHPCJGZCJECC-UHFFFAOYSA-N 317.751 3.858 0 40 DHAB COc1cc(C)c(NC(=O)c2cccc(Cl)c2)cc1OC 5616745 JOACHKMCIRPIOQ-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB CC[C@H](C)c1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 6086785 GAXVHDAOYMUGRJ-AWEZNQCLSA-N 320.392 3.793 0 40 DHAB CN(Cc1ccc(Cl)nc1)C(=S)Nc1ccc(F)cc1 6226809 LFDNGNJXTVGCPO-UHFFFAOYSA-N 309.797 3.703 0 40 DHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 6418485 BBIGAWNYPXWWTI-UHFFFAOYSA-N 318.442 3.698 0 40 DHAB Cc1cccc(C(C)(C)C)c1NC(=O)CCc1n[nH]c(=S)o1 6491259 HKKYQFSPIDHKDH-UHFFFAOYSA-N 319.430 3.909 0 40 DHAB CCCNCc1cccc(OC)c1OCc1ccc(F)cc1 7262406 CFTYPRDZDXKMOS-UHFFFAOYSA-N 303.377 3.913 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1 8051287 XSYASSGJDVAIGT-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB CN1C(=O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C 8656029 LSTYNRPPTUJOBK-WGEZERDCSA-N 317.473 3.521 0 40 DHAB COc1cccc(C(=O)CSc2ccc(NC(C)=O)cc2)c1 9052814 HZPJDOXBGSRBLG-UHFFFAOYSA-N 315.394 3.629 0 40 DHAB Cc1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 10456686 IXPQNVVBGPGBML-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB CC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 12067069 MYMXUARBWMDORR-UHFFFAOYSA-N 305.381 3.518 0 40 DHAB Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3)nc2C)c(C)c1 12872482 PRSLHEDGBBCHNU-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB Sc1nc(-c2ccccc2)nc2c1cnn2-c1ccccc1 13534256 UPBHWXOHJXJWOB-UHFFFAOYSA-N 304.378 3.771 0 40 DHAB Cc1noc(C)c1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 14241604 PLLCRHAFVNUVCU-LBPRGKRZSA-N 322.817 3.912 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CCCCCC1 14400297 FYWYFLGGIZIDHH-KRWDZBQOSA-N 305.418 3.692 0 40 DHAB CC(=O)Nc1ccc(C(N2CCCCC2)N2CCCCC2)cc1 19333499 BUJFLIBDCSXHFS-UHFFFAOYSA-N 315.461 3.615 0 40 DHAB Cc1cccc(OCCCC(=O)Nc2ccnn2C(C)C)c1 22289593 JPQXAMQKRXPAEI-UHFFFAOYSA-N 301.390 3.570 0 40 DHAB c1ccc(-n2ccnc2SCc2noc(-c3ccco3)n2)cc1 24864341 IFVJQLCTOFMGKZ-UHFFFAOYSA-N 324.365 3.808 0 40 DHAB CCCn1c(C)c(C(=O)NCC2CC2)c2cc(OC)ccc21 26206430 QWYNJMTWWAQFGU-UHFFFAOYSA-N 300.402 3.508 0 40 DHAB O=C(CCC1CCCC1)Nc1cnn(Cc2ccccc2F)c1 28220366 BJDGXUJKCOVSNP-UHFFFAOYSA-N 315.392 3.979 0 40 DHAB O=C1CSc2ccccc2N1C(=S)Nc1ccc(F)cc1 28527141 ACHLOWVSPCKYAO-UHFFFAOYSA-N 318.398 3.661 0 40 DHAB O=C(Nc1ccc(N2CCCC2)nc1)[C@H]1CCCc2ccccc21 32760229 BIXYTWCSKKQYNK-SFHVURJKSA-N 321.424 3.740 0 40 DHAB O=C(Sc1nnc(Cc2ccc(Cl)cc2)o1)c1ccco1 33803452 FNFDXHLDCDORGB-UHFFFAOYSA-N 320.757 3.839 0 40 DHAB CCc1ccccc1N[C@@H]1CC(=O)N(c2cccc(C)c2C)C1=O 36635406 KAXVRDKWJYWCES-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB O=C(NCCCOC1CCCCC1)Nc1ccc(F)c(F)c1 40024037 HEDTWDCRJSAGAR-UHFFFAOYSA-N 312.360 3.826 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1C 44631020 JBDCGZUNPBFNPN-UHFFFAOYSA-N 321.735 3.826 0 40 DHAB CCOc1ccccc1CNC(=O)Cc1ccc(Cl)cc1 44847112 HMQRJPUBSNJHCD-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB CC(C)c1ccc2oc(-c3cc(-n4cnnc4)ccc3O)nc2c1 45920606 FTFJOEUWHYSAIQ-UHFFFAOYSA-N 320.352 3.905 0 40 DHAB CC[C@H]1c2ccsc2CCN1Cc1noc(C(C)(C)C)n1 47922799 XJDPZDOZGPAABM-LBPRGKRZSA-N 305.447 3.938 0 40 DHAB C[C@H](C(=O)N[C@@H](c1cccs1)C1CCCC1)n1ccnc1 48333352 KJGZGQWPECOTKO-IUODEOHRSA-N 303.431 3.553 0 40 DHAB Cc1noc2ncc(C(=O)OCc3ccc(Cl)s3)cc12 49055239 HZAKFAXPOQPZSD-UHFFFAOYSA-N 308.746 3.603 0 40 DHAB COc1ccc(C2=CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 49275480 BWSHUFITHOUJCN-UHFFFAOYSA-N 316.788 3.606 0 40 DHAB COC[C@H](C)c1nc(-c2ccc(N3CCCC3=O)cc2)cs1 58355543 YICSMJKGAVOABD-LBPRGKRZSA-N 316.426 3.687 0 40 DHAB Cc1ccc(F)cc1C(=O)N(CC(F)(F)F)c1ccccn1 60350841 KNJSBTWZTWVCGK-UHFFFAOYSA-N 312.266 3.738 0 40 DHAB CN(Cc1ccccn1)C(=O)[C@@H](OC1CCCC1)c1ccccc1 69657485 FDKADGBQGUSZMJ-IBGZPJMESA-N 324.424 3.741 0 40 DHAB C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1 70039770 RYMCZISXOCMZSW-AWEZNQCLSA-N 315.438 3.773 0 40 DHAB CCc1nnc([C@@H](C)Sc2nccn2-c2cccc(F)c2)o1 71893931 HHIYONKLCFHENR-SNVBAGLBSA-N 318.377 3.810 0 40 DHAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(C=O)cc1 72193605 QTRWGNPDTKBGGP-YPMHNXCESA-N 313.180 3.996 0 40 DHAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2ccoc2)n1 72366759 YQNWKGXHOWXDQO-QGZVFWFLSA-N 308.385 3.506 0 40 DHAB CCC(C)(CC)NC(=O)c1sc2nc(C)nc(C)c2c1C 84721149 UKLDXHIGQKMWGS-UHFFFAOYSA-N 305.447 3.925 0 40 DHAB CCn1nc(C)c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1C 89300211 JNINWQBYZQIMDN-PXNSSMCTSA-N 323.440 3.753 0 40 DHAB FC(F)(F)CNc1nnc(SCCc2ccccc2)s1 89832441 LTEOWXSNLCRGBJ-UHFFFAOYSA-N 319.377 3.847 0 40 DHAB CN(CCOc1ccccc1F)c1nc(C(F)(F)F)cs1 95415894 BLALVLWVCGFEJM-UHFFFAOYSA-N 320.311 3.816 0 40 DHAB CC[C@H]1c2cccn2CCN1C(=O)Cn1c(C)cc2ccccc21 95450060 DGPJRASHKLKQFN-KRWDZBQOSA-N 321.424 3.745 0 40 DHAB CCN(C(=O)N(C)Cc1ccc(C(F)(F)F)cc1)C(C)C 95986247 NDCCYVJVGGJHQX-UHFFFAOYSA-N 302.340 3.988 0 40 DHAB Cc1c(C(=O)NCC2([C@@H](O)C(C)C)CC2)oc2c(C)cccc12 95987120 ZCQIVCYRVQVYRI-KRWDZBQOSA-N 315.413 3.577 0 40 DHAB COc1ccc(O)cc1[C@H](C)N[C@@H]1CCc2c(F)cccc21 96006902 RMWLNTJSFFBVFH-APPDUMDISA-N 301.361 3.878 0 40 DHAB COc1ccccc1CN(Cc1ccccc1)[C@H](CO)C(C)C 97032741 VVOWZRANAQBLFJ-LJQANCHMSA-N 313.441 3.714 0 40 DHAB Cc1nnc(CCC[S@@](=O)c2cc(C(C)(C)C)ccc2C)o1 97144267 QSWIZAHEUGSBFD-QFIPXVFZSA-N 320.458 3.724 0 40 DHAB O=C(c1ccncc1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97372165 CFTNPMTZGMMSFH-CQSZACIVSA-N 320.314 3.730 0 40 DHAB CC(C)[C@@]12CC[C@](C)(O1)[C@H](Oc1cccc(Cl)c1CN)C2 100941257 XDWGFIVVEJQCFN-IKGGRYGDSA-N 309.837 3.914 0 40 DHAB C[C@H](NC(=O)COc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108869738 ONTIKEHAUCIUQA-WFGGJUAMSA-N 307.821 3.660 0 40 DHAB CC(C)N(C)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 199800340 MWXNQCFUNZSZQZ-UHFFFAOYSA-N 312.204 3.767 0 40 DHAB Cc1cccc(NC(=O)NC[C@@H]2CCCN2c2ccccc2)c1 211120610 ZUZNUVKCGONHJL-SFHVURJKSA-N 309.413 3.786 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 219956806 KXTWZRUXQJCQQF-HNNXBMFYSA-N 313.397 3.591 0 40 DHAB CCOc1ccc(C(N)=O)cc1COc1cc(C)cc(C)c1C 224605701 RHCGBEKDYBKPQJ-UHFFFAOYSA-N 313.397 3.688 0 40 DHAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC)o2)cc1 224915114 JRIDQNBDTHENPM-UHFFFAOYSA-N 322.364 3.767 0 40 DHAB COc1ccc(C[C@H](OCc2ccccc2)C(=O)O)cc1Cl 225124820 YEJRFCDRUCLXPN-INIZCTEOSA-N 320.772 3.561 0 40 DHAB CCOc1cccc(NC(=O)CCc2ccc(OC)c(C)c2)c1 225352801 ADYPXTIAMZRYKJ-UHFFFAOYSA-N 313.397 3.974 0 40 DHAB CC(C)c1ccc(OCC(=O)NCCSC2CCCC2)cc1 225475847 SHHNFGHWOKLRCG-UHFFFAOYSA-N 321.486 3.981 0 40 DHAB O=C1CCCc2nc(NC(=O)c3cccc4c3CCCC4)ccc21 333834731 LZODJAXMYZVSHZ-UHFFFAOYSA-N 320.392 3.732 0 40 DHAB Cc1nnc(SCC(=O)Nc2ccccc2C(F)F)s1 408543447 PBIUASIPCQILJP-UHFFFAOYSA-N 315.370 3.515 0 40 DHAB Cc1ccc(NC(=O)N(C)C)cc1N[C@H](C)[C@@H]1C[C@H]1C1CC1 527703067 JLSPZTCWHVPLGL-KCXAZCMYSA-N 301.434 3.935 0 40 DHAB CC(C)OCCCNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 585092934 VBDIFWQNDRAXIO-NRFANRHFSA-N 324.368 3.839 0 40 DHAB CC[C@H]1C[C@H](CC(=O)Nc2ccccc2-c2ncco2)CCO1 585126248 UDHIWHCTQMBIGH-KGLIPLIRSA-N 314.385 3.875 0 40 DHAB Nc1ccc(-c2nc3cc(N)ccc3n2-c2ccccc2)cc1 236214 YLDYPROJXAWFSB-UHFFFAOYSA-N 300.365 3.857 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccc(N(C)C)cc3)[C@@H]1[C@@H]2C 519300 ARHZHRUTGKCDRK-TYIJSKFUSA-N 315.457 3.651 0 40 DHAB biogenic CCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 571993 OUGHJGVTNBVBMR-UHFFFAOYSA-N 314.776 3.813 0 40 DHAB COc1cccc(-c2cnc(NCc3ccccc3F)n2C)c1 819134 LKSMQSLSLXJJLZ-UHFFFAOYSA-N 311.360 3.847 0 40 DHAB CC(=O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 1236751 CVLBTIIAFMTZGF-UHFFFAOYSA-N 312.296 3.567 0 40 DHAB C[C@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1456775 VNTNOLGODDWLEJ-WMLDXEAASA-N 320.864 3.677 0 40 DHAB Cc1ccccc1[C@H](c1ccccc1)C(CC(=O)O)CC(=O)O 1600922 GBYTTYQAWXIDLQ-LJQANCHMSA-N 312.365 3.693 0 40 DHAB O=C1O[C@@H]([C@@H]2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 1855497 AKBGLPRWJDGEQF-YLJYHZDGSA-N 318.372 3.832 0 40 DHAB COc1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 2713996 ZXDXCGTUDLAPIZ-UHFFFAOYSA-N 320.320 3.835 0 40 DHAB Cc1cc(C)cc(OC(=O)C(C(F)(F)F)C(F)(F)F)c1 2765445 MRGSWDOGSMPGSE-UHFFFAOYSA-N 300.198 3.950 0 40 DHAB biogenic O=C(NN1c2ccccc2CCc2ccccc21)C(F)(F)F 3151409 PSSIPIBIYCYMAS-UHFFFAOYSA-N 306.287 3.517 0 40 DHAB biogenic CC(C)COc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 3218861 FQTQNJLUHLJVMT-UHFFFAOYSA-N 317.360 3.878 0 40 DHAB COc1cccc(/C=C/C(=O)NCc2cccc(Cl)c2)c1 3565384 BEWKSBDAVUQJOK-CMDGGOBGSA-N 301.773 3.678 0 40 DHAB CC[C@@H]([C@H]1CCc2cc(OC)ccc2C1=O)C(C)(C)C(=O)O 3850153 GIDGBYWSPGIDEX-CABCVRRESA-N 304.386 3.577 0 40 DHAB biogenic COc1ccc(OC)c2c1nc1n2[C@H](O)C=C(C(C)(C)C)S1 4386326 RJEVIKSPPFJBOB-GFCCVEGCSA-N 320.414 3.580 0 40 DHAB C[S@](=O)c1ccccc1COC(=O)Nc1cccc(Cl)c1 4650743 LILSRMMRWNCGNM-OAQYLSRUSA-N 323.801 3.826 0 40 DHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 4693949 PFQGPOOMOKOJMA-UHFFFAOYSA-N 311.406 3.661 0 40 DHAB Nc1cc(N)nc(SCc2ccccc2Oc2ccccc2)n1 5229342 YXRNOJJIURRYHB-UHFFFAOYSA-N 324.409 3.726 0 40 DHAB CC(C)c1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 6008040 JQKCVMHFHDPFRO-SOLBZPMBSA-N 305.462 3.813 0 40 DHAB COC(=O)c1ccc(CC(=O)c2nc3ccccc3s2)cc1 6046942 MPBJIWSDMVGZMX-UHFFFAOYSA-N 311.362 3.508 0 40 DHAB Cc1n[nH]c2c1[C@H](c1ccccc1Cl)S[C@@H](C)C(=O)N2 6678466 ZKTSGSXKKFBBAW-UFBFGSQYSA-N 307.806 3.535 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)NCC2CCCCC2)cc1 6879110 WUZCAJRDQJJVST-UHFFFAOYSA-N 317.429 3.745 0 40 DHAB COc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 7146538 PMFCRHRZTQGYNW-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB CC(C)(C)NC(=O)c1ccc(OCCOc2ccccc2)cc1 8556575 DQQHJCUSVSCCII-UHFFFAOYSA-N 313.397 3.673 0 40 DHAB O=C(O)C1(NCc2ccc(Cl)cc2Cl)CCCCC1 8698557 QVEKILNCTZEVIC-UHFFFAOYSA-N 302.201 3.871 0 40 DHAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1ccco1 11613694 PNBCBCXKQVLVFA-UHFFFAOYSA-N 305.236 3.570 0 40 DHAB CCN(C(=O)c1ccco1)c1nc2c(s1)CCc1occc1-2 12144902 ODMXEIXMOCRBKE-UHFFFAOYSA-N 314.366 3.761 0 40 DHAB COc1cc(CN2CCCCC[C@H]2c2cc(C)on2)ccc1O 12185834 QDUXXJVTMPQMQB-INIZCTEOSA-N 316.401 3.815 0 40 DHAB COc1ccc([C@H]2CCCN2Cc2nc3ccccc3[nH]2)cc1 12579195 XDAPXNMBOFKYCF-GOSISDBHSA-N 307.397 3.909 0 40 DHAB Cc1ccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)cc1 12592579 LADKGTMUEYXNCV-CQSZACIVSA-N 305.381 3.996 0 40 DHAB COC(=O)c1ccccc1N(C)C(=O)c1ccc2ccccc2c1 12779395 YAMUUWYQMGHWKN-UHFFFAOYSA-N 319.360 3.903 0 40 DHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1F 12926632 VRNWXYHTIVFLRR-UHFFFAOYSA-N 324.359 3.675 0 40 DHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 14171670 LDZIBXGPLKGDGR-CVEARBPZSA-N 300.402 3.822 0 40 DHAB O=C(COc1cccc2ccccc12)NCCc1cccc(F)c1 15514373 COJJPOSVNOYLRK-UHFFFAOYSA-N 323.367 3.717 0 40 DHAB C[C@H](Oc1ccccc1F)C(=O)Nc1cccc2cccnc12 15835415 HJMWVLGARWQRCF-LBPRGKRZSA-N 310.328 3.780 0 40 DHAB O=c1[nH]c2ccccc2nc1CSc1cccc2cccnc12 16525025 LZVRCLCVMVDTJQ-UHFFFAOYSA-N 319.389 3.764 0 40 DHAB O=C(c1ccc(F)cc1Br)N1CCc2ccccc21 17337363 AAZWKPFPHTYLFQ-UHFFFAOYSA-N 320.161 3.791 0 40 DHAB Cc1ccn2cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)nc2c1 17369324 FFWLYDRAZLHTDU-ZDUSSCGKSA-N 319.364 3.880 0 40 DHAB CC(C)c1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 23675131 XIWCDBLILCXZNG-UHFFFAOYSA-N 321.424 3.679 0 40 DHAB CCOC(=O)C1CCN(c2cc3ccccc3c(Cl)n2)CC1 23701061 VNJRWNZERBHZIO-UHFFFAOYSA-N 318.804 3.668 0 40 DHAB CCOc1ccccc1CCC(=O)NCC1(c2ccccc2)CC1 24499920 BESHGFAMXLDMMY-UHFFFAOYSA-N 323.436 3.866 0 40 DHAB c1ccc(C[C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 25358652 GXGJTOAHVKMGDA-HNNXBMFYSA-N 309.369 3.537 0 40 DHAB Cc1nc(C)c(C(=O)OCc2csc(-c3ccco3)n2)s1 25452334 JDEGRKYHTKRFFM-UHFFFAOYSA-N 320.395 3.833 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)c1n[nH]c2ccccc12 28840489 NRARWXQQOSMQFT-UHFFFAOYSA-N 312.329 3.564 0 40 DHAB COc1ccc(NC(=O)Nc2cccc(C)c2)cc1NC(C)=O 32826179 FKZGFOQCGSJPIK-UHFFFAOYSA-N 313.357 3.606 0 40 DHAB O=C(C[C@H]1C=CCC1)NCc1cccc(OCc2ccccn2)c1 32930606 QQCHUXABOFGVTO-INIZCTEOSA-N 322.408 3.633 0 40 DHAB Cc1ccc(OCCCCNC(=O)CCc2ccsc2)cc1 40122454 RCZQGVDBCPBRRH-UHFFFAOYSA-N 317.454 3.965 0 40 DHAB CC(C)(C)n1nc(C(=O)Nc2ccc(F)cc2)cc1C1CC1 40134925 PVWSXNLLFSDVRT-UHFFFAOYSA-N 301.365 3.907 0 40 DHAB O=C(C[C@@H]1CCC[C@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 43879147 UGFUCGXBLWHIFS-CMPLNLGQSA-N 300.276 3.779 0 40 DHAB COc1ccc(-c2ncc(C(=O)O)c(Nc3ccccc3)n2)cc1 49469661 JSVMXZAABMAOPF-UHFFFAOYSA-N 321.336 3.594 0 40 DHAB Fc1ccc(N2CCN(C3=Cc4ccccc4CC3)CC2)cc1 55145578 LESMTWWZRASXEU-UHFFFAOYSA-N 308.400 3.935 0 40 DHAB Cc1nc2cc(N[C@@H](C)C(=O)N(C)Cc3ccccc3)ccc2o1 57157872 ZLUKBBLRDVSVON-ZDUSSCGKSA-N 323.396 3.595 0 40 DHAB Cc1ccc(C)c(NC(=O)CNCc2cccc(Cl)c2)c1 58160402 AMIGTIGDUSSYSQ-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB Nc1nnc(SCc2csc(C3CCCC3)n2)n1C1CC1 63887239 GUOZPCKQIQOIAP-UHFFFAOYSA-N 321.475 3.602 0 40 DHAB CCCC(=O)NC[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 69587935 PQNQPSOLZWDAPC-KRWDZBQOSA-N 322.493 3.502 0 40 DHAB COC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2cccs2)c1 69594021 HYBZBDQRXJTAJJ-LLVKDONJSA-N 318.398 3.760 0 40 DHAB C[C@H](NC(=O)CCN1CC[C@H](c2ccccc2)C1)c1ccccc1 69897097 HWDWPMVATXPVRF-PXNSSMCTSA-N 322.452 3.743 0 40 DHAB CS[C@H](C)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71840026 WYCXMVWRGBKBNY-GFCCVEGCSA-N 302.443 3.625 0 40 DHAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(Oc2ccccc2C)n1 72361711 YBODFNLTIOKBQK-OAHLLOKOSA-N 311.385 3.569 0 40 DHAB CCOc1ccccc1NC(=O)c1ccc2c(c1)nc(C)n2C 74957481 AUFVTGKXFUULOU-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)N2C[C@@H](C)CCC[C@H]2C)c1 76068754 OUIXQPDGRZXZAA-GXTWGEPZSA-N 318.417 3.824 0 40 DHAB C[C@H](CNC(=O)N(C)[C@@H](C)c1ccncc1)Cc1cccs1 76088234 BEEKKKVSADWIBL-KBPBESRZSA-N 317.458 3.724 0 40 DHAB Cc1ccc(-c2nnc(Sc3nc(C)nc(C)c3C)o2)cc1 76093069 MXSUPWZJGWNWJN-UHFFFAOYSA-N 312.398 3.911 0 40 DHAB O=C(CCc1ccsc1)N1CCC[C@H]1c1ccc(O)cc1 78702627 FBEIGNJUYMGEPR-INIZCTEOSA-N 301.411 3.750 0 40 DHAB CCN(CC)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 78762411 VXSOTIOANNLIEL-OAQYLSRUSA-N 310.463 3.608 0 40 DHAB CN(C)c1nc2ccc(NC(=O)CCCc3ccccc3)cc2o1 79095150 ZAZMSTQGCXKURK-UHFFFAOYSA-N 323.396 3.855 0 40 DHAB O=C(c1cc(F)cc2[nH]cnc12)N(CC1CCCCC1)C1CC1 80446715 SARWJPZWNQNMJB-UHFFFAOYSA-N 315.392 3.887 0 40 DHAB CC(=O)NCc1ccc(C(=O)N(C)C2CCCCCCC2)cc1 84753123 OOTKSXJYRHRKPG-UHFFFAOYSA-N 316.445 3.508 0 40 DHAB C[C@@H](Sc1ccccn1)c1nc(COc2ccccc2)no1 89913655 FXXQXLXLPHBWAQ-GFCCVEGCSA-N 313.382 3.897 0 40 DHAB Cc1ccc(CCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 95405753 CISYWUGJWSWHJQ-QWHCGFSZSA-N 303.324 3.758 0 40 DHAB C[C@@H](CCc1ccccc1)CNC1CCN(c2ccccn2)CC1 95450142 KJZIMJMJBNSVKW-SFHVURJKSA-N 323.484 3.909 0 40 DHAB COc1ccc(-c2nn3c(-c4ccncc4)ccnc3c2C)cc1 95476945 LHNCGKGKSZBMIP-UHFFFAOYSA-N 316.364 3.775 0 40 DHAB COc1ccccc1C(=O)c1c(F)c(F)c(F)c(F)c1F 95917131 DQKZUXUGNXKIHU-UHFFFAOYSA-N 302.198 3.622 0 40 DHAB COc1ccccc1C(=O)c1ccc(Br)cc1C 95917136 JKVMNUJQIVLRSP-UHFFFAOYSA-N 305.171 3.997 0 40 DHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCc1ccccc1Cl)CC2=O 100868398 AUHVLWTWBCLNGO-ROUUACIJSA-N 319.832 3.742 0 40 DHAB CSc1ncc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)cn1 107533448 ZFBCTFFJORLUNA-RUDMXATFSA-N 313.426 3.974 0 40 DHAB CC(C)c1ccccc1OCCNC(=O)Cc1cccs1 110509202 JEJWCUZDHXLEER-UHFFFAOYSA-N 303.427 3.609 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(F)c1 113942742 ZJBGLPMGBXLRLL-MRXNPFEDSA-N 321.323 3.770 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1ccccc1 216495553 IMIIEBADMUKXRV-SFHVURJKSA-N 313.397 3.511 0 40 DHAB COc1cccc(C=O)c1OCCCN1[C@@H](C)CCC[C@@H]1C 217789847 HUEIPUFUKWDIOH-GJZGRUSLSA-N 305.418 3.540 0 40 DHAB Cc1ccc([C@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 219213565 OILIEFMNRIDZOI-HNNXBMFYSA-N 322.408 3.613 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 224294445 XIGAGZAKHIUDCM-IAGOWNOFSA-N 311.425 3.991 0 40 DHAB Cc1cc(N2CCNCC2)c2cccc(Oc3ccccc3)c2n1 225322339 MYRGWYKGNXGNHY-UHFFFAOYSA-N 319.408 3.745 0 40 DHAB Cc1nc(-c2ccc(C[C@@H]3CCCN(C)C3)cn2)sc1C 257289129 PXBYSUFWABWCFJ-HNNXBMFYSA-N 301.459 3.706 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1 257336678 YPNPFJCWULVWOL-MRXNPFEDSA-N 315.392 3.544 0 40 DHAB CCc1ccc([C@@H](NCc2nc(C3CC3)nn2C)C(C)C)cc1 572515103 LYPXEGBITJMJGJ-SFHVURJKSA-N 312.461 3.742 0 40 DHAB CC(C)[C@H]1COC([C@@H]2CCCC[C@H]2C2=N[C@@H](C(C)C)CO2)=N1 1988187953 AGUOBJZLHSYLBL-KLHDSHLOSA-N 306.450 3.699 0 40 DHAB Cc1cc(NCn2nnc3ccccc32)ccc1Br 41304 ZVCUDKHYTYOHRV-UHFFFAOYSA-N 317.190 3.572 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)c(C)c1 1993308 BZLKQVNWZYRPNW-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1cc(C)c(NC(=O)c2cc3ccccc3oc2=O)c(C)c1 2790610 DUPZBSNYJHFFCD-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1csc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1 3313497 OFIVLYPAKMQCTE-CQSZACIVSA-N 318.467 3.737 0 40 DHAB Cc1ccc(F)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 3435527 CEPGVBCGUYGJHV-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB Cn1nc(CSc2ccccc2)c2cc(C(=O)O)sc21 3855974 NMNHKBJLZXNKHH-UHFFFAOYSA-N 304.396 3.625 0 40 DHAB CC(=O)c1c(Nc2ccc(Br)cc2)oc(C)cc1=O 4619305 YJURXBQODHYJTG-UHFFFAOYSA-N 322.158 3.657 0 40 DHAB Cc1ccc(NC(=O)CCc2ccccc2)cc1N1CCCC1=O 5440692 PZRBVNJRDOVWTO-UHFFFAOYSA-N 322.408 3.693 0 40 DHAB COc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 5861985 SLHWQUQXUVNNIQ-NSHDSACASA-N 305.761 3.755 0 40 DHAB CCOc1ccccc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 6811215 HCDYCSOFDOQRAJ-UHFFFAOYSA-N 323.348 3.752 0 40 DHAB COc1ccc(CN(C)C(=O)CSCc2ccccc2)cc1 7871772 BCAOXJYEMLPGKY-UHFFFAOYSA-N 315.438 3.587 0 40 DHAB O=C1COc2ccc(-c3csc(Cc4ccccc4)n3)cc2N1 8042393 BPEVIOYUCRIREL-UHFFFAOYSA-N 322.389 3.732 0 40 DHAB COc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 8167942 QPAGLMBLMPXYKJ-UHFFFAOYSA-N 300.402 3.786 0 40 DHAB in-vivo CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)OCO2 8498181 XDXUDGUPGSVMSJ-OAHLLOKOSA-N 313.353 3.520 0 40 DHAB CCCCCC(=O)Nc1nc2ccc(C(=O)OC)cc2s1 8904238 XAVJGKAUZSVADV-UHFFFAOYSA-N 306.387 3.602 0 40 DHAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCCO2 9448979 YTYJJYUNPXYINW-UHFFFAOYSA-N 323.392 3.518 0 40 DHAB CCC[C@H](CC(=O)N[C@@H]1CCCc2ccccc21)n1ccnc1 9467111 CNAKWJOKFULJSJ-SJLPKXTDSA-N 311.429 3.808 0 40 DHAB COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1C 11287801 UWUDHEASYTYRMW-KLZLZNSSSA-N 312.413 3.606 0 40 DHAB O=C(O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 11801494 JOQPWSHPJXCJDX-ZDUSSCGKSA-N 307.143 3.654 0 40 DHAB COc1ccc2c(ccn2CCC(=O)N2CCc3ccccc32)c1 12324403 VHKGTTSMMYGCKR-UHFFFAOYSA-N 320.392 3.629 0 40 DHAB c1cc(-c2noc(CN3CCC[C@@H]4CCCC[C@H]43)n2)cs1 12739577 LUWLQDIYACZGME-GXTWGEPZSA-N 303.431 3.953 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)NCCc1ccc(Cl)cc1 12739897 DHTGNHCHQMVVFF-UHFFFAOYSA-N 320.795 3.863 0 40 DHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccncc2)cc1 12916579 WNGKFCRPFQBBJQ-GOSISDBHSA-N 310.397 3.848 0 40 DHAB CSc1ncccc1C(=O)Nc1ccccc1Br 12929584 LPLGMOPLLLVZLE-UHFFFAOYSA-N 323.215 3.818 0 40 DHAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 13000373 MXMMRKMCTBFSOK-LBPRGKRZSA-N 309.818 3.521 0 40 DHAB CCOc1ccc2cc(CNc3ccc(C)cc3)c(=O)[nH]c2c1 13561342 WMRXVOLCDAUFAW-UHFFFAOYSA-N 308.381 3.847 0 40 DHAB CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1C 13646595 MOCZQVDAHSHDBR-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC 13668388 CGKLBYAJHQPJNE-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)CCC 13750065 UHYXENFBWATRDY-UHFFFAOYSA-N 314.429 3.765 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)N3[C@@H](C)CCC[C@H]3C)o2)n1 17992195 DVFTYOVNBFLYKW-OKILXGFUSA-N 315.417 3.544 0 40 DHAB O=C(CSc1ccccc1)Nc1ccc(C(=O)O)c(Cl)c1 20151164 RGJWVZGGTMOZKX-UHFFFAOYSA-N 321.785 3.769 0 40 DHAB COC(=O)c1cc(NC(=O)Cc2ccc(C)cc2)ccc1Cl 20491716 DAOAYOVNPXTEDC-UHFFFAOYSA-N 317.772 3.616 0 40 DHAB CCCCn1nc(C)c(C(=O)NCc2cccs2)c1Cl 20910511 IOQJCMXQZDOLLJ-UHFFFAOYSA-N 311.838 3.637 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccccc2)c1C 22518939 XJVWFBGEDZLCCD-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(F)c1 22558444 OXFWWFREBXRYNE-UHFFFAOYSA-N 311.360 3.685 0 40 DHAB CCn1nc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 28240149 VBULQZZMSVVPAE-LBPRGKRZSA-N 321.808 3.579 0 40 DHAB COc1ccccc1[C@@H](CNc1nc2ccccc2o1)N(C)C 29329105 QXRUXBLOXCGFKX-OAHLLOKOSA-N 311.385 3.551 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 39897742 KSJZABFXVGGMBL-UHFFFAOYSA-N 323.392 3.994 0 40 DHAB Cc1ccccc1COC(=O)CSc1cnc2ccccc2n1 40159167 NCKCEZBTMACXJB-UHFFFAOYSA-N 324.405 3.774 0 40 DHAB CC[C@H]1CCCCN1C(=O)CCc1nc(-c2ccsc2)no1 40466447 DNZFHZKJZNXIRL-ZDUSSCGKSA-N 319.430 3.522 0 40 DHAB CN(Cc1ccccc1)C(=O)Cc1cc(-c2ccccc2)on1 41130977 LFFJKPVWNHLLHR-UHFFFAOYSA-N 306.365 3.543 0 40 DHAB O=C(Nc1c(F)cccc1F)N(Cc1ccccn1)C1CC1 43265703 GSFBRVRJANWYIC-UHFFFAOYSA-N 303.312 3.556 0 40 DHAB CN(Cc1cscn1)C(=O)c1ccc(F)c(C(F)(F)F)c1 43567442 TVBZJOYZZMZWQA-UHFFFAOYSA-N 318.295 3.573 0 40 DHAB O=C(c1ccc(SCCc2ccccc2)nc1)N1CCCC1 48325866 HCWCCPLJPMMTDQ-UHFFFAOYSA-N 312.438 3.652 0 40 DHAB CSc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 51354477 WLCKKJQWLXSFEW-UHFFFAOYSA-N 302.355 3.781 0 40 DHAB O=C(O)c1cccc(-c2nc3ccc(Br)cc3[nH]2)c1 61811136 AWDGNXZOMQMFEJ-UHFFFAOYSA-N 317.142 3.691 0 40 DHAB Clc1ccc(CN2CCCN3CCC[C@H]3C2)c2ncccc12 64570866 BUPHKALEWBLTTM-HNNXBMFYSA-N 315.848 3.558 0 40 DHAB Cc1noc([C@H](C)NC(=O)Nc2ccc3c4c(cccc24)CC3)n1 69738172 TVWYLVPVOMSTBF-JTQLQIEISA-N 322.368 3.513 0 40 DHAB Cc1noc([C@@H](C)[S@](=O)Cc2ccc(C(C)(C)C)cc2)n1 71888577 HMEAGBAMGLPNEV-FIKIJFGZSA-N 306.431 3.685 0 40 DHAB Cc1ccsc1-c1cccc(NC(=O)N2CCC[C@@H]2CO)c1 71911261 PJFUWFAPTAARJC-OAHLLOKOSA-N 316.426 3.712 0 40 DHAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccccc3C)[nH]n2)c1 72238528 MGTFRFYAQCJNLT-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cccs1 72288995 LHJYJVREARPJFD-OAHLLOKOSA-N 318.442 3.799 0 40 DHAB O=C(O)c1cnc2c(C(F)(F)F)cccc2c1Br 85386621 KIFPJRYCXQXNHR-UHFFFAOYSA-N 320.064 3.714 0 40 DHAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2cccc(F)c2)S1 85412367 FNGXFRVSDYPQBP-CYBMUJFWSA-N 305.378 3.783 0 40 DHAB Cc1cccc(CN(Cc2ccccn2)Cc2cnc(C)cn2)c1 89669482 VTMNXVWMOWOCSV-UHFFFAOYSA-N 318.424 3.691 0 40 DHAB O=C(c1cc2c(F)cccc2[nH]1)N1CCc2ccsc2C1 89800292 QXWVITUSEDEHFX-UHFFFAOYSA-N 300.358 3.567 0 40 DHAB c1ccc(-c2nc[nH]n2)c(OCc2cccc3cccnc23)c1 89821232 AZDMRSSSDXNODJ-UHFFFAOYSA-N 302.337 3.599 0 40 DHAB C[C@H](NCc1ccccc1OCCO)c1ccc(Cl)cc1 95423118 ACXANRNFUZOSLQ-ZDUSSCGKSA-N 305.805 3.562 0 40 DHAB C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1cccnc1 95964255 BSQPFXHSDRRREJ-CQSZACIVSA-N 319.474 3.604 0 40 DHAB Fc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)cc1 96462687 LDSOIKJXDQTDIT-LBPRGKRZSA-N 302.349 3.573 0 40 DHAB CC(C)OC[C@H]1CCC[C@]12CN(Cc1ccsc1)CCO2 107194617 XHOGDJWZYCYWIX-SJORKVTESA-N 309.475 3.544 0 40 DHAB CCCNc1ccc(CNC(=O)N[C@H](C)c2nccs2)cc1 192444090 YCMPXLPOCJRRCC-GFCCVEGCSA-N 318.446 3.525 0 40 DHAB Cc1ccnc(NCc2cccc(C(=O)NCc3ccco3)c2)c1 195539168 FBPXOILFYDKGQA-UHFFFAOYSA-N 321.380 3.525 0 40 DHAB CCOc1ccc(C)cc1NC(=O)c1ccc(Cl)c(N)c1 216877296 RZNVOTWBDREFBI-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 224294114 HYTZJYCPWHOYCK-HNNXBMFYSA-N 315.388 3.569 0 40 DHAB O=C(COc1cccc2c1CCCC2)NCCCc1ccccc1 225220099 YSRFSWPRZGARQJ-UHFFFAOYSA-N 323.436 3.693 0 40 DHAB Cc1ccc(NC(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)cc1 225754294 YYDHWXXOMFEETH-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c(C)n1 225895103 RURGWXDWLPARCT-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB Cc1occc1C(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 227166738 HGSYTIRRXFEKNV-UHFFFAOYSA-N 313.357 3.514 0 40 DHAB C[C@H](NC(=O)c1n[nH]c2c1CCCCCC2)[C@@H]1C[C@H]2CC[C@H]1C2 248376616 DBSJVCSOXDFVEP-YXWQFLTLSA-N 315.461 3.623 0 40 DHAB COc1ccc2c(c1)[C@@H](N[C@H]1C[C@H](C)O[C@H](C)C1)CCS2 248849196 PQWJKURQAPWBOT-ZWUHOBOKSA-N 307.459 3.778 0 40 DHAB O=C(Nc1ccccc1C(=O)O)c1ccc(OC2CCC2)cc1 583651693 RDWQCJUTSWTNSF-UHFFFAOYSA-N 311.337 3.568 0 40 DHAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCNC[C@@H]3C[C@H]21 585263547 CWQIYYLMQPCOIS-YDEYXMKJSA-N 307.821 3.567 0 40 DHAB O=C(Cc1nc2ccccc2[nH]1)Oc1cccc2ccccc12 35266 YTUTZABQYXNJFH-UHFFFAOYSA-N 302.333 3.864 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1 307670 CPGOAQIHAMEFBY-KRWDZBQOSA-N 324.380 3.597 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(Br)cc2)cc1 585153 MYVRYVGJEOLPEC-UHFFFAOYSA-N 320.186 3.639 0 40 DHAB Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1 2447675 JEDYJKSXWWRZRH-UHFFFAOYSA-N 321.409 3.651 0 40 DHAB COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1OC 2638749 OGUFHGDJSLCKSB-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB CCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1 2797290 HRFBCRAAFBIOTO-CVEARBPZSA-N 301.386 3.635 0 40 DHAB COc1ccc(C)cc1NC(=O)COc1cccc2cccnc12 3256998 CVXUPURBBDTNIA-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)O)[C@@H]2c2cccs2)cc1 3888166 KIQDHOPFZJKODK-CZUORRHYSA-N 315.394 3.625 0 40 DHAB CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 4660786 GKFGGXYBNFXHEM-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB CC(C)Sc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 5533379 USJNXLVNUSYXGQ-VIFPVBQESA-N 318.471 3.964 0 40 DHAB Cc1cc(C)c(S(=O)(=O)n2c(C)nc3ccccc32)c(C)c1 5538563 MVNDDILUOVKAQG-UHFFFAOYSA-N 314.410 3.507 0 40 DHAB CCCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 7318994 WDICIIHDWGRQGT-UHFFFAOYSA-N 305.447 3.745 0 40 DHAB COc1ccc(F)cc1CSc1nnc(-c2ccco2)o1 7564703 YICYSGZQAJZAQH-UHFFFAOYSA-N 306.318 3.770 0 40 DHAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 7929313 CKOKBYDHAIMLJQ-MRXNPFEDSA-N 323.392 3.516 0 40 DHAB CCc1cccc2c(C(=O)C(=O)Nc3cccc(OC)c3)c[nH]c12 9227459 KMNJMGWYXFUEJA-UHFFFAOYSA-N 322.364 3.560 0 40 DHAB N=C(SC(c1ccccc1)c1ccccc1)N1CCOCC1 11252639 TYRMFDQJUGKMSV-UHFFFAOYSA-N 312.438 3.776 0 40 DHAB O=C(CCc1ccccc1)Nc1cc(C(=O)O)ccc1Cl 12349278 QBJALIJBCDYYRB-UHFFFAOYSA-N 303.745 3.610 0 40 DHAB Brc1ccc(-c2ccc(Br)nc2)cn1 12359469 IJTQXCQPBVBRSV-UHFFFAOYSA-N 313.980 3.669 0 40 DHAB C[C@H](NCc1nc(N)c2ccccc2n1)c1ccccc1Cl 12548870 HUMFJBRRYGLBJC-NSHDSACASA-N 312.804 3.716 0 40 DHAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1cccc(F)c1 15841847 OUMKMSVRRQUVRW-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1Cl 20395701 POYHIHCXJXFNTG-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1 20481865 KKGMPMDWHONGBB-OAHLLOKOSA-N 303.789 3.814 0 40 DHAB CC[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 24255412 JTIYAINVUVYNAK-MRXNPFEDSA-N 302.805 3.680 0 40 DHAB Cc1ccc(CNC(=O)N[C@@H](C)CCc2ccccc2)cc1F 24986909 VVGNJSVOCREYAZ-HNNXBMFYSA-N 314.404 3.955 0 40 DHAB Cc1nc(NC(=O)COc2ccc(C(C)C)cc2)sc1C 27755481 DNRCPHQIBYJRIL-UHFFFAOYSA-N 304.415 3.901 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCC[C@H]1C(F)(F)F 27862815 GMKMABCDDIEAFN-UKRRQHHQSA-N 324.346 3.948 0 40 DHAB CCc1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1 28247017 RGIHFRFJASBGIB-UHFFFAOYSA-N 319.821 3.742 0 40 DHAB Cc1ccc(CCC(=O)NC[C@H](c2ccccc2)N(C)C)c(C)c1 29689908 HLEYIAZXCACACM-HXUWFJFHSA-N 324.468 3.655 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 30750863 JJAGONBALIMJAH-ZIAGYGMSSA-N 301.361 3.779 0 40 DHAB COc1ccc2cc(C(=O)N(C)C3CCCCCC3)[nH]c2c1 40072061 CMCRBLNKOOYQNI-UHFFFAOYSA-N 300.402 3.971 0 40 DHAB C[C@H](CC(=O)NC1CCN(C(C)(C)C)CC1)c1ccccc1 40555807 MFOCRIBZCUIWRJ-OAHLLOKOSA-N 302.462 3.559 0 40 DHAB Nc1ccc([S@](=O)c2ncc(C(F)(F)F)cc2Cl)cc1 43827958 YAOSSDBUIGFYHS-HXUWFJFHSA-N 320.723 3.503 0 40 DHAB Cc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 44140358 WJLUPZYEWQZHKO-HOTGVXAUSA-N 319.518 3.649 0 40 DHAB O=C(c1ccc(C(F)(F)F)nc1)N1CCCc2ccc(F)cc21 48286675 LTHHMIRBMHVEFP-UHFFFAOYSA-N 324.277 3.833 0 40 DHAB Cc1cc(C(=O)N(C)Cc2ccc(Br)o2)c(C)o1 48462181 SVHBZCMUDNULMA-UHFFFAOYSA-N 312.163 3.524 0 40 DHAB CN(C)[C@@H](CNc1ncnc2sccc12)c1ccc(F)cc1 52486038 PMJHHULDMOORBX-AWEZNQCLSA-N 316.405 3.545 0 40 DHAB CN(CC(=O)Nc1ccccc1SC(F)F)C1CCCC1 53436563 VPSDLXQZWZULSE-UHFFFAOYSA-N 314.401 3.814 0 40 DHAB Cc1cnc(NC(=O)[C@H]2CCCO[C@H]2c2ccccc2)s1 54653513 KXFATDALQCOABA-KBPBESRZSA-N 302.399 3.558 0 40 DHAB CCN(CC)CCOc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 55553779 DSCGRXUPMRYUMU-INIZCTEOSA-N 316.445 3.702 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 58264925 WEJGXHSGJWEHCX-GXSJLCMTSA-N 308.353 3.767 0 40 DHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1nccc2ccccc12 58378234 KPLKDZDDBAEJKN-YOEHRIQHSA-N 312.413 3.560 0 40 DHAB Cc1ccc(Cn2ccn3nc(-c4cccs4)cc3c2=O)cc1 64977441 HCJGIXDQJLTARF-UHFFFAOYSA-N 321.405 3.581 0 40 DHAB O=C1c2ccccc2N[C@H](c2csc(C3CC3)n2)N1C1CC1 67963334 MJKHUKQUGKPDGM-HNNXBMFYSA-N 311.410 3.749 0 40 DHAB CCc1ccccc1NC(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 69417865 ROVIZUNMWDHGJW-DNVCBOLYSA-N 317.477 3.881 0 40 DHAB CSc1ccsc1C(=O)Nc1cccc(-n2ccnc2)c1 69739389 MZVCTUJWVXBNSZ-UHFFFAOYSA-N 315.423 3.908 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@@H]1c1ccc(F)cc1 69753516 NLJSFSIGGQZNGW-HUUCEWRRSA-N 316.401 3.580 0 40 DHAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1cccc(C(F)F)c1 71854030 BJKGWPLPNMKEMV-SECBINFHSA-N 322.359 3.857 0 40 DHAB C[S@@](=O)Cc1cc(NC(=O)CC(C)(C)C)ccc1Cl 71908767 KGDXDIUBEYPDFE-IBGZPJMESA-N 301.839 3.593 0 40 DHAB CCO[C@H](C)c1noc(CN(C)Cc2ccc(Cl)s2)n1 71914901 JDTADXLNBIBESD-SECBINFHSA-N 315.826 3.514 0 40 DHAB CC(C)COc1cc2oc(C(=O)O)cc2cc1Br 72219744 VTHNNTAFNIGSPQ-UHFFFAOYSA-N 313.147 3.928 0 40 DHAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccccc3)[nH]n2)c1 72238583 MZCPGQYPNSGELC-UHFFFAOYSA-N 307.353 3.651 0 40 DHAB CC(=O)Nc1cccc(Oc2ccc([C@@H]3CCCCN3)cn2)c1 72383141 DTFBAZMOIVTLJP-KRWDZBQOSA-N 311.385 3.647 0 40 DHAB CSc1sc(NC(=O)CCn2ccnc2C(C)C)nc1C 73172592 WOAXZDGNVPPOOR-UHFFFAOYSA-N 324.475 3.522 0 40 DHAB Cc1cc([C@@H](O)CCNC(=O)c2cccc3ccccc23)c(C)o1 85561425 GIFXASPDZWASSX-IBGZPJMESA-N 323.392 3.903 0 40 DHAB CCc1cccc(N(C#N)Cc2nnc(-c3cccc(F)c3)o2)c1 95411502 UXNCRLCCSLPEEM-UHFFFAOYSA-N 322.343 3.926 0 40 DHAB CC(=O)/N=c1\scc(-c2ccccc2)n1-c1cccc(C)c1 100840874 ZFWMCZQFIRWFLO-HNENSFHCSA-N 308.406 3.961 0 40 DHAB O=C(Nc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1)c1ccco1 102708863 OQYQZQIZPFGTOD-HEHGZKQESA-N 322.364 3.683 0 40 DHAB CC(C)COC(=O)[C@@H]1CN(c2ccccc2)N=C1c1ccccc1 103769094 XKGLSHKHEOCENT-GOSISDBHSA-N 322.408 3.726 0 40 DHAB COc1ccc(C(=O)NC(C)C)cc1COc1ccccc1C 224094458 GMPXTNMNZSXKDE-UHFFFAOYSA-N 313.397 3.721 0 40 DHAB Cc1cc(OCC(=O)NCC2=CCCCC2)cc(C)c1Cl 224258551 LYXVXFAWADNQSL-UHFFFAOYSA-N 307.821 3.952 0 40 DHAB Cc1ccccc1CSCCNC(=O)c1cccc(F)c1 224955337 HWIUICLUMULJQI-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB Cc1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)n1 225448126 AUTSUHCYGPMOEW-UHFFFAOYSA-N 315.442 3.664 0 40 DHAB CCN(CC)CCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225596592 PSRCIQZAGOYFLA-UHFFFAOYSA-N 318.461 3.926 0 40 DHAB Cc1cc(C)c(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1C 225646327 KAYMTZPVICYDIS-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB CCOc1ccc(NC(=O)[C@@](C)(CC)OCC)c2cccnc12 225893441 DUNYHTLXDHNVTM-GOSISDBHSA-N 316.401 3.777 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)o2)cc1N 226304155 FVKGFQZCHKMOQQ-CHWSQXEVSA-N 312.413 3.955 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)n1 257333546 YBZYNTWEUBDMQV-OAHLLOKOSA-N 323.396 3.793 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@@](C)(O)c1ccccc1 306145833 RWDXXPDOUZIVNY-LBPRGKRZSA-N 308.261 3.753 0 40 DHAB Cc1cc(NC(=O)c2sccc2C2CC2)ccc1C(=O)O 341755640 QHXNABOCBNNVSX-UHFFFAOYSA-N 301.367 3.884 0 40 DHAB Cc1ccccc1NC(=O)NCCn1nc(C2CC2)cc1C1CC1 585300143 LHVUGEBTEJSVAQ-UHFFFAOYSA-N 324.428 3.768 0 40 DHAB Cc1ccc2nsnc2c1NC(=O)c1ccccc1Cl 97601 AXKUJQKVEOKTCI-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB COc1cnc(N(C)C)nc1Oc1cc(Cl)cc(Cl)c1 1391921 YVAXPPYOBXJXBD-UHFFFAOYSA-N 314.172 3.650 0 40 DHAB CC(C)(C)OC(=O)n1cccc1-c1ccccc1CC(=O)O 2581094 PGDVUHUKXRRXFH-UHFFFAOYSA-N 301.342 3.565 0 40 DHAB CSc1ccc(Cl)c(C(=O)OCC(=O)C(C)(C)C)c1 3263261 PCSKKAFFQDEEKL-UHFFFAOYSA-N 300.807 3.834 0 40 DHAB COc1ccc2c(CC(=O)NC3CCCCCC3)coc2c1 3359675 WADVZALESXZUKZ-UHFFFAOYSA-N 301.386 3.823 0 40 DHAB CC[C@H]([C@H]1CCc2cc(OC)ccc2C1=O)C(C)(C)C(=O)O 3850155 GIDGBYWSPGIDEX-HUUCEWRRSA-N 304.386 3.577 0 40 DHAB biogenic Cn1c(C(=O)NCc2ccccc2Cl)cc2sccc21 4971216 BNFHTNGUMQEIHL-UHFFFAOYSA-N 304.802 3.823 0 40 DHAB COc1cc(C(=O)NC2CCCCCC2)cc(Cl)c1OC 5443335 LLYXMBNVWRJUKL-UHFFFAOYSA-N 311.809 3.810 0 40 DHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 5688101 QCNVVEMVMGQQBX-UHFFFAOYSA-N 306.724 3.690 0 40 DHAB Cc1ccccc1OCC(=O)Nc1ccc(CN2CCCC2)cc1 5982037 KZJIQORPDPOENV-UHFFFAOYSA-N 324.424 3.608 0 40 DHAB C[C@@H]1[C@H](c2ccccc2)OCCN1C(=S)Nc1ccccc1 6441829 KFIHKFWVHAQLAG-RHSMWYFYSA-N 312.438 3.845 0 40 DHAB COc1cccc(Nc2nnc(SCCSC)s2)c1 6788060 WUSWJPKHGMINPB-UHFFFAOYSA-N 313.473 3.745 0 40 DHAB Cc1cc2oc(C(=O)Nc3ccc(F)cc3)cc(=O)c2cc1C 6811394 XJBBNVFDGFMMRL-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB COc1ccc(NC(=O)CNc2cc(F)ccc2C)cc1Cl 7986740 IRPHIJVLIIBEAY-UHFFFAOYSA-N 322.767 3.847 0 40 DHAB Cc1nc2cc(NC(=O)CCc3nc4ccccc4[nH]3)ccc2o1 10895332 LQRSIZLWTSAFOR-UHFFFAOYSA-N 320.352 3.584 0 40 DHAB COc1cccc(CNC(=O)C2(c3cccs3)CCCC2)c1 12157698 YWXFOGCLLWSEET-UHFFFAOYSA-N 315.438 3.885 0 40 DHAB CCN(CC)C[C@@H](O)Cn1c(C)c(C)c2cccc(Cl)c21 12421914 NWDPRMHVVATIQD-CQSZACIVSA-N 308.853 3.614 0 40 DHAB COc1cccc(NCc2cc3c(C)cc(C)cc3[nH]c2=O)c1 12566068 POLONBXRCQQBJC-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB S=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 13790686 WXTMJABDRZGTII-UHFFFAOYSA-N 320.801 3.555 0 40 DHAB Cc1cccc(-n2c(SCc3ccccc3)nc(O)cc2=O)c1 13957243 FSZDKGDGWFKQKY-UHFFFAOYSA-N 324.405 3.539 0 40 DHAB Cc1cnc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cn1 14116195 JSBHARDJQOFGTJ-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1 15357635 JARUAYKWGRRELS-CQSZACIVSA-N 301.361 3.526 0 40 DHAB O=C(O)c1cccc2c(C(F)(F)F)cc(Br)nc12 16159952 BLFFDHBTAVDNLS-UHFFFAOYSA-N 320.064 3.714 0 40 DHAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCCC1 16740431 ORKBWZSJZVZRIK-UHFFFAOYSA-N 303.365 3.533 0 40 DHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cc(F)ccc2F)on1 19120520 DHJWZPLNQFVKPP-YVEFUNNKSA-N 306.356 3.762 0 40 DHAB Fc1ccccc1CNc1ccccc1OC[C@@H]1CCCO1 19737593 LOQDGIAREBUWQX-HNNXBMFYSA-N 301.361 3.996 0 40 DHAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)C1 20485994 CKEJEBVIPPRBQU-IAGOWNOFSA-N 314.473 3.791 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3ccc(C)o3)cc2)n1 21839882 CRSPNJYXECDDJD-OAHLLOKOSA-N 323.396 3.882 0 40 DHAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)C1CCCC1 28305929 VQUWZYKBSIOXTG-UHFFFAOYSA-N 321.783 3.853 0 40 DHAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Cl)nc1 29607557 CVJPXOHVWIVGLW-UWVGGRQHSA-N 306.715 3.586 0 40 DHAB CCSc1ccccc1NS(=O)(=O)c1ccc(F)cc1 30755542 IMNLZZRFRCWUMG-UHFFFAOYSA-N 311.403 3.739 0 40 DHAB COc1cc(C2=NO[C@H](c3ccccc3)C2)cc(OC)c1OC 34260352 JXUXYQNZLMEYMF-HNNXBMFYSA-N 313.353 3.578 0 40 DHAB COc1cccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 47346387 VSUCBXMDXXNLCE-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cccs1 47823636 UOANDEJQWFIQNG-SNVBAGLBSA-N 315.847 3.783 0 40 DHAB CSc1ccc(CN(C)[C@@H](C)C(=O)N2CCCCCC2)cc1 48272952 IIGOVRHAXHLWSV-HNNXBMFYSA-N 320.502 3.631 0 40 DHAB COc1ccc(OC)c(NC(=O)Nc2ccc(C)c(C)c2)c1 51354136 QMXDHFALGLXLQA-UHFFFAOYSA-N 300.358 3.965 0 40 DHAB O=C(CCCn1cccn1)N1CCC[C@@H]1c1cccc(Cl)c1 51469198 UWXLIOMYOWGXII-MRXNPFEDSA-N 317.820 3.680 0 40 DHAB CCCCCC[C@@H](C)NC(=O)N[C@@H](C)Cc1ccc(O)cc1 58434800 NJAHOCLFUBJUBM-CABCVRRESA-N 306.450 3.981 0 40 DHAB CN(C(=O)CN(CC1CCCCC1)C1CC1)c1ccccc1 59391048 LUIXDSAJIIYVNS-UHFFFAOYSA-N 300.446 3.694 0 40 DHAB COc1cc(C)cc2c1OCC[C@H]2NC(=O)Nc1ccccc1 60358438 MZLPEZKULPOAJD-OAHLLOKOSA-N 312.369 3.649 0 40 DHAB CC[C@@H](C)[C@@H](NC(=O)CC(F)(F)F)c1nc2ccccc2[nH]1 65590623 RUOLLNNGVRSGNN-NOZJJQNGSA-N 313.323 3.719 0 40 DHAB CN(C(=O)c1ccco1)[C@@H](c1cccc(F)c1)c1ccccn1 69529042 IJFQBRXOZXTZLF-KRWDZBQOSA-N 310.328 3.675 0 40 DHAB CC(C)(C)c1cnc(CN2CCO[C@H](c3ccc(F)cc3)C2)o1 69777360 URHFCIDJTJJEBF-HNNXBMFYSA-N 318.392 3.685 0 40 DHAB CC(C)(C)c1cnc(CN2CCO[C@@H](c3ccc(F)cc3)C2)o1 69777361 URHFCIDJTJJEBF-OAHLLOKOSA-N 318.392 3.685 0 40 DHAB O=C([C@@H]1Cc2ccccc2O1)N1CCCCC[C@@H]1c1ccncc1 71798123 QTEBCRKIHMKIFT-MJGOQNOKSA-N 322.408 3.529 0 40 DHAB Cc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2Cl)c1 72227449 MEWOSRODEJHKIA-CABCVRRESA-N 321.207 3.717 0 40 DHAB C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1Cl 72230382 FJALTBSYZVTGGJ-LBPRGKRZSA-N 315.866 3.901 0 40 DHAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1oc2ccccc2c1C 72242546 YYGSCBMEODLJSP-INIZCTEOSA-N 321.380 3.647 0 40 DHAB C[C@@H](NC(=O)[C@H]1CSCCS1)c1ccc(F)c(Cl)c1 75572784 NINDWQKLVGJXTF-PRHODGIISA-N 319.854 3.505 0 40 DHAB CC(C)C(=O)N1CC[C@H](NCc2ccc3ccccc3c2)[C@@H](C)C1 76057421 ZLHJIEDJGZYRTR-JXFKEZNVSA-N 324.468 3.822 0 40 DHAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H](C)c1ccccn1 79042846 QYJIKAATIDYKBC-GHMZBOCLSA-N 322.767 3.519 0 40 DHAB O=C(CC[C@@H]1CCCO1)N1CC[C@@H](CSc2ccccc2)C1 81287143 NVOURHKYUIVOLI-CVEARBPZSA-N 319.470 3.586 0 40 DHAB Cc1ncsc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 86279343 AJRCGFDIHPXMEF-GFCCVEGCSA-N 312.442 3.796 0 40 DHAB CCOP(=O)(OCC)[C@@](N)(c1ccccc1)C(F)(F)F 91252825 MPBKRXQODSBSKP-NSHDSACASA-N 311.240 3.627 0 40 DHAB COC(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 91695434 WHNRDFKSGOEUOW-UHFFFAOYSA-N 324.302 3.620 0 40 DHAB Cc1ccccc1Oc1ccnc(CNC(=O)c2cc[nH]c2C)c1 95408488 XQNWVRSKUMWUJY-UHFFFAOYSA-N 321.380 3.749 0 40 DHAB O=C(CC1(n2cccc2)CCCCC1)NCC(=O)c1ccccc1 95474017 PPTBNYVRGDEZTD-UHFFFAOYSA-N 324.424 3.537 0 40 DHAB Cc1cnc(C(C)(C)NCc2nnc(-c3cccs3)o2)s1 96014055 GTJFHNTYVCNJTK-UHFFFAOYSA-N 320.443 3.588 0 40 DHAB CO[C@H]1CCN(Cc2nccs2)C[C@@H]1Cc1cccc(C)c1 96110521 RKZLCRJSTNEONC-IRXDYDNUSA-N 316.470 3.531 0 40 DHAB O=C(OCC(F)(F)F)c1csc(Cc2ccccc2F)n1 96410568 MCWNSRYWCNHTCU-UHFFFAOYSA-N 319.279 3.592 0 40 DHAB CC(C)c1ocnc1C(=O)N(CC(C)(C)C)c1cccnc1 96425221 VYKKZSCLYLUVHJ-UHFFFAOYSA-N 301.390 3.886 0 40 DHAB C[C@H](CNC(=O)CCC(F)(F)F)c1nc2ccccc2s1 96481556 PQQWXAGBJVNPFR-SECBINFHSA-N 316.348 3.859 0 40 DHAB CN(Cc1ccccc1)C(=O)COc1ccc2c(c1)CCCC2 96586475 FDPMSEFGHIFTJL-UHFFFAOYSA-N 309.409 3.603 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@@H]3C[C@]13CC[C@@H]2C[C@H]1CCCC[C@]13O4 100151207 NYWUQKFITQFOEY-JCTPFYOHSA-N 304.430 3.741 0 40 DHAB O=c1[nH]c2c(s1)[C@H](c1ccco1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100288092 PGOHYRVPWXTGJJ-NLMQRWQWSA-N 305.424 3.682 0 40 DHAB O=C1C[C@@]2(C[C@H]3C=C[C@H]2C3)C(=O)N1c1cc(Cl)cc(Cl)c1 100799441 MYGHKFZMGWTNIN-XQJJYNOISA-N 322.191 3.839 0 40 DHAB C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1cccc(O)c1 104881642 YIFRZYOMIRTJOH-LLVKDONJSA-N 323.314 3.831 0 40 DHAB O=C(Nc1cccc(Oc2ncccn2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105879440 SQXNLBGCFGNIQG-HEHGZKQESA-N 309.369 3.644 0 40 DHAB CS[C@@H]1CCC[C@@H]1N(C)Cc1nnc(-c2cccs2)o1 110642488 RTHSADNJNWBXEE-WDEREUQCSA-N 309.460 3.514 0 40 DHAB O=C(O)C1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 139873847 JRVIRHOKPHYESS-UHFFFAOYSA-N 309.409 3.596 0 40 DHAB CC(=O)N1CCC(CNC2c3ccccc3-c3ccccc32)CC1 183799352 OWZCJIHCLMUFLG-UHFFFAOYSA-N 320.436 3.605 0 40 DHAB CNC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 212130369 TWJTYXLMZPNWDS-UHFFFAOYSA-N 310.184 3.679 0 40 DHAB Cc1cccc(CNC(=O)COc2cccc3c2CCCC3)c1 223177426 IHTWQYAVTHEVNO-UHFFFAOYSA-N 309.409 3.569 0 40 DHAB COc1ccc(CNC(=S)Nc2ccc(Cl)c(C)n2)cc1 223925175 GCJMZJZEJSIDGD-UHFFFAOYSA-N 321.833 3.539 0 40 DHAB Cc1ccc(CC(=O)N[C@H](C)COc2ccccc2C)c(C)c1 224900622 NWTYVTWFCGNHPH-QGZVFWFLSA-N 311.425 3.738 0 40 DHAB COc1ccc(CCC(=O)NCCSC2CCCCC2)cc1 225314195 GEINEYHBFVGVPC-UHFFFAOYSA-N 321.486 3.810 0 40 DHAB c1ccc2c(C[C@H]3CCN(CC4CCOCC4)C3)ccnc2c1 257250674 JNMVRZGCMRSOBY-QGZVFWFLSA-N 310.441 3.526 0 40 DHAB CC[C@H](CC(F)F)C(=O)N1CCCc2cc(OC)ccc2C1 565407080 MYUNWQZJLJAVIS-GFCCVEGCSA-N 311.372 3.651 0 40 DHAB CC1(C)C[C@H](N[C@H]2C[C@@H](N)c3ccccc32)c2cc(N)ccc2O1 572234686 YLTXSPLOMRYZES-SQNIBIBYSA-N 323.440 3.605 0 40 DHAB CC(C)C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889647709 UJAQAAVNSYFPCZ-UHFFFAOYSA-N 317.820 3.645 0 40 DHAB CCOC(=O)c1c(C)c2c(Cl)ncnc2n1-c1ccccc1 153243 CSIMHLZSLGNDHX-UHFFFAOYSA-N 315.760 3.559 0 40 DHAB O=S(=O)(C[C@@H]1CC1(Cl)Cl)c1ccc2ccccc2c1 1104809 LELDKFGTFPBDRN-LBPRGKRZSA-N 315.221 3.807 0 40 DHAB CCCC[C@@H](S[C@](CC)(C(C)=O)c1ccccc1)C(N)=O 1705164 SCPUGINXZWJRNA-NVXWUHKLSA-N 307.459 3.658 0 40 DHAB O=C(NCc1ccccc1)[C@]1(c2ccccc2)CC1(Cl)Cl 2205195 QUQBYQPWHGFLPN-MRXNPFEDSA-N 320.219 3.818 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2nc3ccccc3n21 2338716 UFTIAJPNXMWDBW-HNNXBMFYSA-N 320.352 3.516 0 40 DHAB Cc1ccccc1OCCC(=O)N[C@H]1CCCc2ccccc21 2636248 GDGMYVSECPSECA-SFHVURJKSA-N 309.409 3.958 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(N2CCCC2=O)cc1 2653153 KCDACNZREBKUFK-UHFFFAOYSA-N 320.392 3.554 0 40 DHAB Cc1noc(C)c1COC(=O)Cc1c(Cl)cccc1Cl 3317834 DSTUHKARVCASMJ-UHFFFAOYSA-N 314.168 3.884 0 40 DHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(C)cc(C)c2)C1=O 3462506 KKPBLQCIDJYQKX-FQEVSTJZSA-N 322.408 3.661 0 40 DHAB COc1ccc(OC)c(NC(=O)CSc2ccc(F)cc2)c1 3492383 REQAQHLYTMSITE-UHFFFAOYSA-N 321.373 3.574 0 40 DHAB COc1cc(C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC 3547908 BEIUDKVVOWADOG-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB CC(C)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4072068 STYUWKDCQHOCTF-UHFFFAOYSA-N 305.447 3.600 0 40 DHAB CCOC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 4301302 XUCBUVYVYSGRRX-RYRKJORJSA-N 321.392 3.650 0 40 DHAB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1C 4704754 WETPKVZYNUFUBZ-XNTDXEJSSA-N 312.394 3.883 0 40 DHAB CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1 4994790 RWKWJXNQEQJHMY-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1 5161842 SHQCZCNHNSPNBD-UHFFFAOYSA-N 310.578 3.916 0 40 DHAB O=C1CCCN1c1cccc(OCc2cc(-c3ccco3)on2)c1 7064801 QEWKZLFSPNBFDJ-UHFFFAOYSA-N 324.336 3.640 0 40 DHAB Cc1ccc(CN(C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 7674425 MYZVPILQCCXMTC-OAHLLOKOSA-N 321.424 3.733 0 40 DHAB CCOCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC 7751050 PKMWCQLRNIQWMS-CQSZACIVSA-N 313.397 3.723 0 40 DHAB CC(C)C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 8579669 CGDRJAGCDVTZHK-UHFFFAOYSA-N 320.392 3.717 0 40 DHAB Cc1nn([C@H](C)CC(=O)n2cnc3ccccc32)c(C)c1Cl 8714515 YVYYPYAKYHQZCV-SNVBAGLBSA-N 316.792 3.795 0 40 DHAB Cc1ccc(-c2cc3[nH]c(-c4ccccc4)cc(=O)n3n2)cc1 8721094 HVKASPYRZFKHDA-UHFFFAOYSA-N 301.349 3.665 0 40 DHAB O=C(NCCc1ccco1)c1ccc(C2SCCS2)cc1 8761893 LFEIFVBAFSPWCC-UHFFFAOYSA-N 319.451 3.731 0 40 DHAB Cc1ccc2oc(C(=O)NCc3ccc(Cl)cc3)cc2n1 8798548 YVVQXBDLMPDUFG-UHFFFAOYSA-N 300.745 3.720 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cccc(Cl)c2)c1C 9446257 NLUZBJBDDYYSKH-UHFFFAOYSA-N 318.804 3.760 0 40 DHAB CCOc1ccccc1C(=O)Nc1nc2ccccc2n1CC 10651474 VDQSLRDPJUOTPA-UHFFFAOYSA-N 309.369 3.707 0 40 DHAB Cc1cc(C)c2c(c1)C(=O)C(=O)N2CCCOc1ccccc1C 11692655 QYNFXWRNAJIPKH-UHFFFAOYSA-N 323.392 3.610 0 40 DHAB CCC(=O)Nc1ccc(SCc2ccccc2Cl)nn1 11739100 IBMQGBGWIVGPBD-UHFFFAOYSA-N 307.806 3.771 0 40 DHAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12592891 MIOXLNRXIJAICO-NSHDSACASA-N 319.792 3.573 0 40 DHAB O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(O)nc1 12772666 OKMAAQIFHUUUTH-UHFFFAOYSA-N 304.305 3.939 0 40 DHAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccsc2)c(C)c1 12882389 AOKYEWGANOYNSI-UHFFFAOYSA-N 302.443 3.744 0 40 DHAB CCc1ccccc1OCC(=O)N(C)Cc1cccc(Cl)c1 13097997 LKXBLZWNUBIZFZ-UHFFFAOYSA-N 317.816 3.940 0 40 DHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC(C)C)c1 14300548 HYMPUTGPYQLERR-UHFFFAOYSA-N 309.409 3.920 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ncccc12 14791854 VVQXSDXWXRQVEE-LBPRGKRZSA-N 310.328 3.780 0 40 DHAB CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC 15257093 FBIPGCRLBUAKTF-MRXNPFEDSA-N 308.418 3.888 0 40 DHAB biogenic,in-vitro CSc1ncccc1C(=O)OCCOc1cc(C)cc(C)c1 16694876 KEFMIOWXZRUXOB-UHFFFAOYSA-N 317.410 3.656 0 40 DHAB CCCCSc1nc2sc3c(c2c(=O)[nH]1)CC(C)(C)OC3 20100243 BDFVQWVXFXSHRM-UHFFFAOYSA-N 324.471 3.728 0 40 DHAB CC(C)CC[C@]1(CCN2CCN(C)CC2)CCO[C@@H](C(C)C)C1 20648154 IPORIWFJIBWFBV-UXHICEINSA-N 324.553 3.882 0 40 DHAB Cc1ccc(NC(=O)c2ccc3nsnc3c2)cc1Cl 21096750 PXFCCNMRCIGXPG-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB COc1cccc(COC(=O)c2cc(Cl)ccc2F)c1OC 32768257 DRCGZRLRBWONOA-UHFFFAOYSA-N 324.735 3.853 0 40 DHAB O=C(NCC1(c2ccc(F)cc2)CCCC1)Nc1cccnc1 40145998 MNIHFZQYGAJZMM-UHFFFAOYSA-N 313.376 3.854 0 40 DHAB Cc1cc(C)cc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1 40955680 LQLUAXVECOARTB-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB O=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 43879095 RJAQVGQGSOPVMH-GXSJLCMTSA-N 300.276 3.779 0 40 DHAB Cc1sc2nc(Cc3csc(C(C)C)n3)[nH]c(=O)c2c1C 50178985 WJVYIMAOTFJTFA-UHFFFAOYSA-N 319.455 3.772 0 40 DHAB Cc1cc(C)c(OCC(=O)Nc2cccc(N)c2)c(Cl)c1 57340366 LXNKOJXWZRTYAD-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CC(C)(C)N1CCCN(C(=O)Nc2ccccc2Cl)CC1 58167399 CJJQEKIFFHMXOY-UHFFFAOYSA-N 309.841 3.678 0 40 DHAB O=C(CNc1ccccc1Cl)N1CCC[C@@H]1c1ccncc1 58330041 SNZCMRLCQCAJJY-MRXNPFEDSA-N 315.804 3.511 0 40 DHAB Cc1nccc(C(=O)Nc2ccccc2N(C)c2ccccc2)n1 58417410 MXJZTFWKTRUZKX-UHFFFAOYSA-N 318.380 3.805 0 40 DHAB Cc1c(C)c(C)c(C(=O)OCc2nnc(C3CC3)o2)c(C)c1C 63506432 MLWXRJDGMHXOTR-UHFFFAOYSA-N 314.385 3.846 0 40 DHAB Cc1ccc(F)cc1NC(=O)NCc1ccc(-n2ccnc2)cc1 66962570 PAGQHTHQULTPIZ-UHFFFAOYSA-N 324.359 3.642 0 40 DHAB CCCCN(C)C(=O)Nc1cc(NC(=O)CC)ccc1Cl 69508537 VDDVAZPVIDFSTD-UHFFFAOYSA-N 311.813 3.952 0 40 DHAB COc1cccc(-c2nc(-c3cn(C)nc3C)cs2)c1OC 69920349 VZLAZKYAZXUPGP-UHFFFAOYSA-N 315.398 3.536 0 40 DHAB Cc1cc(NC(=O)c2cc(OC(C)C)c3ccoc3c2)n(C)n1 71195346 JXXWUXLINZSUSH-UHFFFAOYSA-N 313.357 3.514 0 40 DHAB Cc1nc(C2CCN(C(C)C)CC2)sc1Br 72343528 FZQTUJIJNLAQSV-UHFFFAOYSA-N 303.269 3.802 0 40 DHAB CCOC(=O)Nc1cccc(OCc2ncc(C(C)C)o2)c1 79097186 KSBBEIWFFGSHEG-UHFFFAOYSA-N 304.346 3.945 0 40 DHAB Cc1noc(CNc2cccc(COC3CCCCC3)c2)n1 84286744 NQJVTPHEYVMNBE-UHFFFAOYSA-N 301.390 3.839 0 40 DHAB CCOc1ccc(-c2nc(-c3cccc(N)c3)n[nH]2)cc1OCC 85385282 SYTIORNGANUGJT-UHFFFAOYSA-N 324.384 3.518 0 40 DHAB CCSc1ccccc1C(=O)N(CCOC)Cc1ccoc1 85474306 ALOSSWPIZVLMBN-UHFFFAOYSA-N 319.426 3.680 0 40 DHAB CC(C)n1cc(C(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 85877039 ZMTIXDJHOQJAHF-AWEZNQCLSA-N 314.429 3.910 0 40 DHAB biogenic Cc1nc2n(n1)CCC[C@@H]2N[C@H]1C[C@H](C)Sc2sccc21 90227310 YLAKEFZLIBJFOP-XDTLVQLUSA-N 320.487 3.698 0 40 DHAB N[C@H](c1ccc(Cl)cc1)c1n[nH]c(-c2cccc(Cl)c2)n1 95533946 OOXJQOIUSNADAJ-CYBMUJFWSA-N 319.195 3.827 0 40 DHAB Cc1nc(SCC(=O)c2ccc3c(c2)CCCC3)[nH]c1C 96136930 MLTKCAXJZWVJGX-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CN(C)CCCOc1ccc(-c2ccc(-c3cnco3)cc2)cn1 96179505 IKRLJGHQDGXTPQ-UHFFFAOYSA-N 323.396 3.734 0 40 DHAB Fc1ccc(Cc2nc3nccc(-c4ccccc4)n3n2)cc1 96345215 GLEZEOBODLHXRZ-UHFFFAOYSA-N 304.328 3.521 0 40 DHAB CCn1/c(=N/C(=O)C(C)(C)C)sc2c(C)ccc(OC)c21 100908985 BMONCPZIXWVZNC-ICFOKQHNSA-N 306.431 3.513 0 40 DHAB Cc1nc(C2=C(O)CN(CCc3cccs3)C2=N)sc1C 102732054 IXQXJTPOPLNMSJ-UHFFFAOYSA-N 319.455 3.626 0 40 DHAB CC(C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 223016733 GUGZQQGIMAXPKX-UHFFFAOYSA-N 301.361 3.677 0 40 DHAB Cc1cccc(OCCNC(=O)c2ccc(Cl)cc2F)c1C 223967028 MTLXYTDNQDABAE-UHFFFAOYSA-N 321.779 3.905 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1C 224603627 VYELQJOBHIETPQ-DLBZAZTESA-N 311.425 3.991 0 40 DHAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccccn1 225347745 CUVDSBDBZISXBS-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB CCC(C)(C)NC(=S)Nc1cccc(Br)c1 225644082 XTRUBAFALKRVQO-UHFFFAOYSA-N 301.253 3.924 0 40 DHAB Cc1ccc(C)c(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)c1 225675890 DKLNXOKYNIEQID-MRXNPFEDSA-N 323.392 3.662 0 40 DHAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)nc3)CC2)cc1 225940609 NFNOMJJFEXMFTG-UHFFFAOYSA-N 310.397 3.848 0 40 DHAB Cc1ccccc1C(=O)Nc1cc(N)ccc1N1CCCCC1 226254256 JNVLSVWYNIERFY-UHFFFAOYSA-N 309.413 3.820 0 40 DHAB CN(C)c1ccc(NC(=S)NCCCc2ccccc2)cc1 242782962 DXYLHCQJGRMHIR-UHFFFAOYSA-N 313.470 3.672 0 40 DHAB Clc1cccc([C@@H]2CCN(Cc3cnn4ccccc34)C2)c1 556909844 OUZHWFHEMATMFE-OAHLLOKOSA-N 311.816 3.977 0 40 DHAB CCc1noc(C)c1C(=O)Nc1nnc(C2CCCCC2)s1 204466 WFPDYQBPDBRWGD-UHFFFAOYSA-N 320.418 3.697 0 40 DHAB CCOC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 421602 LDEHPRNCJJXOFE-UHFFFAOYSA-N 324.405 3.952 0 40 DHAB CCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1 498606 GMNZZFOHRVUORQ-UHFFFAOYSA-N 311.341 3.514 0 40 DHAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1C 2705766 QHRZXAGWGSUAQB-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1OC(F)F 3343759 ROMDPYLMYBWSSX-UHFFFAOYSA-N 316.307 3.951 0 40 DHAB Cc1c(C)n(C[C@H](O)CN[C@H]2CCCC[C@H]2C)c2ccccc12 3655844 GDDCYANZONIPGV-BJZITVGISA-N 314.473 3.787 0 40 DHAB O=S(=O)(Nc1nccs1)c1ccc(C2CCCCC2)cc1 4914113 BQPCIELIVMZTTI-UHFFFAOYSA-N 322.455 3.992 0 40 DHAB O[C@@H](CNC1CCCCC1)COCC12CC3CC(CC(C3)C1)C2 5188810 JVIGMYCEKLTUFH-DRZUXFPHSA-N 321.505 3.503 0 40 DHAB O=C(Nc1cccc2cccnc12)c1cncn1-c1ccccc1 6608180 MRMNSWXYLBZODP-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB N#C/C(=C/c1cccn1-c1ccccc1F)C(=O)NC1CCCC1 7093338 CSVNSAMECUCFSG-OWBHPGMISA-N 323.371 3.582 0 40 DHAB Cc1sc2nc([C@H](C)N3C[C@@H](C)C[C@H](C)C3)[nH]c(=O)c2c1C 7738210 KOUMTNYUKLAYJE-NHCYSSNCSA-N 319.474 3.640 0 40 DHAB Cc1ccc(CN(C)C(=O)NCCc2ccc(Cl)cc2)o1 8704049 XXXNGEGMOHLTKN-UHFFFAOYSA-N 306.793 3.626 0 40 DHAB CCN(CC)Cc1c(C)nc2ccc(N(CC)CC)cc2c1O 8717355 KZPDPACLHZLDIM-UHFFFAOYSA-N 315.461 3.937 0 40 DHAB CC[C@@H](Nc1cc2oc3ccccc3c2cc1OC)C(=O)OC 9368715 GQNOXUZWALYCER-CYBMUJFWSA-N 313.353 3.958 0 40 DHAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H](C(F)(F)F)C1 10286799 BQZCVTKNFOUIBT-SNVBAGLBSA-N 314.332 3.711 0 40 DHAB O=C(NCCOc1ccc2ccccc2c1)c1ccc[nH]c1=S 10310573 GUYWWHHVARRPFV-UHFFFAOYSA-N 324.405 3.706 0 40 DHAB Cc1cc(NC(=O)c2cccc(C)c2C)ccc1N1CCCC1=O 11740447 YPFFDAJVFZLIHP-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB Cc1sc2ncnc(NCCc3cn4ccccc4n3)c2c1C 12507126 UVAUODCYQFFMMY-UHFFFAOYSA-N 323.425 3.610 0 40 DHAB CC(=O)c1c(F)cccc1N[C@@H](c1ccccc1)c1nccn1C 12525603 GJDGACIENSVHPG-SFHVURJKSA-N 323.371 3.963 0 40 DHAB O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc2c(c1)CCC2 12867143 XVAJRPGEJMYDAE-UHFFFAOYSA-N 315.756 3.810 0 40 DHAB Cc1ccc(C)c(NC(=O)CCCNC(=O)c2ccsc2)c1 12994769 KASCQUSLQVSQTK-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB COc1ccc(C(=O)Nc2ccc(F)cc2Cl)c(OC)c1 15010310 SEUHLFJMZAFMFO-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB Fc1cccc(F)c1C1=NN=C(NC2CCCCC2)SC1 15405206 IXHAAZDUUHPFNQ-UHFFFAOYSA-N 309.385 3.694 0 40 DHAB C[C@H]1CCCN(Cc2ccc(C(=O)N(C)C3CCCC3)cc2)C1 20038908 GADMJEFQKGIUAB-INIZCTEOSA-N 314.473 3.933 0 40 DHAB CC(C)CC[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 23993772 GMMSBXVJTWWSJA-AWEZNQCLSA-N 305.443 3.943 0 40 DHAB CCc1ccccc1NC(=O)Cc1sc(SC)nc1C 24924792 BIHZNEHSUQDEOE-UHFFFAOYSA-N 306.456 3.917 0 40 DHAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1c1cccc(O)c1 26895169 RABPMCZLKSSQSQ-RIYZIHGNSA-N 315.325 3.772 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cn1 29247804 RDDORCPYEHUHOC-LLVKDONJSA-N 308.303 3.900 0 40 DHAB CC(C)CC(=O)NCc1ccc(-c2nc3cnccc3o2)cc1 32106061 UEOVIMVVDSSSNR-UHFFFAOYSA-N 309.369 3.552 0 40 DHAB COP(=O)(OC)[C@@H](/C=C(\Cl)c1ccc(C)cc1)N(C)C 32237373 DHUGUSHZSVRSKS-ZVHGMHCTSA-N 317.753 3.948 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1F 33137120 DWRFBSCWTXFAQV-UHFFFAOYSA-N 323.327 3.969 0 40 DHAB O=C(O)[C@@H]1c2ccc(Cl)cc2CCN1c1ccc(F)cc1 38540553 RGWVNXMJJOUGRD-HNNXBMFYSA-N 305.736 3.668 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)NCCSc1ccccc1 38753400 ZSOHSOOJLGOMAU-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccc(F)cc2)C1 40287851 ZRJUHJYZPIHPNO-AWEZNQCLSA-N 308.316 3.530 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccs2)on1 43290566 SZKSAOQFFATBIF-RYUDHWBXSA-N 305.403 3.652 0 40 DHAB Cc1cc(C)nc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 45026840 XNSZUSGZMYINLR-ZDUSSCGKSA-N 310.401 3.615 0 40 DHAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccncc2)cc1 48369207 VHONZGCHJGGZKQ-HNNXBMFYSA-N 312.413 3.620 0 40 DHAB CCSc1nc(N)cc(Nc2cccc(C(F)(F)F)c2)n1 49467507 LKMCZXLBLKHUMQ-UHFFFAOYSA-N 314.336 3.933 0 40 DHAB COC(=O)c1cccc(NC(=O)Nc2cccc(F)c2C)c1 51354518 ZRADNVFRZWRLLZ-UHFFFAOYSA-N 302.305 3.565 0 40 DHAB CC(C)Cc1ccc([C@@H](C)NC(=O)CCCn2cccn2)cc1 57994232 FYDBZDZJMGMJTF-MRXNPFEDSA-N 313.445 3.739 0 40 DHAB O=C(OCc1ccc(OC(F)F)cc1)c1ccnc(Cl)c1 59892973 SHKQMJMUMLWYOJ-UHFFFAOYSA-N 313.687 3.693 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1ccccc1 69435887 LGBKCDDJIBCXMY-QGZVFWFLSA-N 312.413 3.974 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)NCCc2cccs2)cc1C 70815678 RPDURWMWNGVJKC-AWEZNQCLSA-N 302.443 3.524 0 40 DHAB COc1ccc(N(C(=O)c2sc(C)nc2C)C(C)C)cc1F 71853724 JZFJLKXIPGDSBP-UHFFFAOYSA-N 322.405 3.963 0 40 DHAB C[C@@H]1SCCN(Cc2nc(C3CC3)no2)[C@@H]1c1ccccc1 71911159 KNMAFRRAMVBWNN-LRDDRELGSA-N 315.442 3.626 0 40 DHAB CN[C@@H](c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 72207707 GWMILPVYBHVPFQ-INIZCTEOSA-N 304.434 3.594 0 40 DHAB CCN1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214430 XLPHOLJCKCIJPZ-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB Cc1cc(COc2cccc(NC(=O)c3ccccc3)c2)no1 75147392 KAJWPOJCRANUNR-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB Cc1cccnc1CNC(=O)Nc1ccc2nc(C3CC3)oc2c1 79852234 LYBRPVNTCYVBDL-UHFFFAOYSA-N 322.368 3.730 0 40 DHAB COc1cccc(F)c1C(=O)c1ccc(Br)cc1 88079933 XAIHXZCOVJUYOP-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB CC(C)CO[C@@H]1CCN(C(=O)Nc2cc(F)ccc2Cl)C1 89840267 OULBYDIFIXFXJI-GFCCVEGCSA-N 314.788 3.758 0 40 DHAB c1ccc([C@@H]2CO[C@]3(CCCN(Cc4ccncc4)C3)C2)cc1 96073459 QJMNXUCVMXNXRP-VQTJNVASSA-N 308.425 3.620 0 40 DHAB CCN(Cc1cccs1)C[C@@H]1CN(c2ccccc2)C(=O)O1 97002266 IOTQGVQJSPYCDL-OAHLLOKOSA-N 316.426 3.595 0 40 DHAB Cc1ccccc1CN(C)C(=O)CN(C)[C@H](C)c1ccccc1 98073951 WQJJVUILWJDDCT-QGZVFWFLSA-N 310.441 3.646 0 40 DHAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3c(C)cc(C)cc3C)C(=O)[C@@H]21 100053099 KJGGFEKXMLNCIU-LMSBXDPUSA-N 321.420 3.870 0 40 DHAB O[C@H](C[C@@H]1CCCCCN1Cc1cccnc1)c1ccco1 108105072 XCEGMYDVNHNARH-DLBZAZTESA-N 300.402 3.543 0 40 DHAB CC[C@H](NC(=O)COc1cccc(OC)c1)c1ccc(C)cc1 222792385 KNHURLYQRPOZRF-SFHVURJKSA-N 313.397 3.650 0 40 DHAB COc1ccc(NC(=S)NCc2ccccc2)c2cccnc12 225280275 JWCHYNBFQNWKDY-UHFFFAOYSA-N 323.421 3.730 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1ccc(F)cc1 225441750 YHFLAFJQIIWMQK-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB Cc1cc(C)nc(NC(=O)c2csc3c2CC[C@@H](C)C3)n1 332294960 UFILSDICRGKDAN-SECBINFHSA-N 301.415 3.532 0 40 DHAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1cccc(F)c1 408534288 UWPSHZKAJBZYGD-MDZDMXLPSA-N 319.339 3.935 0 40 DHAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C 408709407 SGYMCODNWUJVSV-UHFFFAOYSA-N 304.434 3.619 0 40 DHAB CC(=O)/N=c1\sc(-c2ccccc2)c(-c2ccccc2)n1C 409194907 FNCVEJIOLGTFCE-HNENSFHCSA-N 308.406 3.868 0 40 DHAB O=C1NCCCN1c1cccc(-c2ccc(OC3CC3)cc2)c1 527590112 ZNVAMOPQLIAHRK-UHFFFAOYSA-N 308.381 3.815 0 40 DHAB CC(C)(C)c1nc2cc(NC(=O)NCC3CSC3)ccc2o1 585120059 MKQIDHQXGYSMBL-UHFFFAOYSA-N 319.430 3.610 0 40 DHAB FC(F)(F)c1ccc(Nc2ncnc3c2ncn3C2CC2)cc1 1888909443 AFEXGYSUANRMLC-UHFFFAOYSA-N 319.290 3.924 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccccc1 509256 VGVPAIMZXLCLBI-XHVUQVIVSA-N 319.404 3.869 0 40 DHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccs1 536151 ZRHBTCDRLFWDSC-UHFFFAOYSA-N 314.366 3.577 0 40 DHAB O=C(Nc1ccc(F)cc1F)c1csc(-c2ccncc2)n1 1397262 MUZLHKVRLSJOQC-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB Cc1ccc(N2N[C@]3(C[C@H](C)CC(C)(C)C3)NC2=S)cc1 1754995 QMRFFSCJFCEJQN-DYVFJYSZSA-N 303.475 3.737 0 40 DHAB CCCOc1ccc(CN2C(=O)C(=O)c3cccc(C)c32)cc1 1891149 RSGPKVLSRLPEID-UHFFFAOYSA-N 309.365 3.513 0 40 DHAB CCCSc1nc(=O)c2c3c(sc2[nH]1)CO[C@](C)(CC)C3 2350900 LNCNQSTYNDEYNC-OAHLLOKOSA-N 324.471 3.728 0 40 DHAB CCCc1nc2ccccc2n1C[C@@H](O)COCc1ccccc1 2690298 MUINDDGMPRTNRA-QGZVFWFLSA-N 324.424 3.567 0 40 DHAB CCOC(=O)N[C@@H]1Cc2ccccc2[C@H]1Sc1ccccn1 3048241 HYEHRBPZEDEHPY-GDBMZVCRSA-N 314.410 3.586 0 40 DHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)ccc2C)c1C 3328405 XVZCSBIAEBDXIH-UHFFFAOYSA-N 320.776 3.632 0 40 DHAB CN(Cc1ccccc1Cl)C(=O)c1ccc(O)c(Cl)c1 3363252 PFAGTTQHYVHGRJ-UHFFFAOYSA-N 310.180 3.971 0 40 DHAB O=C(Cc1ccc(Cl)cc1Cl)NCc1cccs1 3400655 SPUDJVDEDAJXPC-UHFFFAOYSA-N 300.210 3.914 0 40 DHAB C[C@H](CCc1cn(C)c2ccccc12)NC(=O)c1cccs1 3765554 YEJPEPLNRSQTNI-CYBMUJFWSA-N 312.438 3.991 0 40 DHAB C[C@@H](n1c(=O)[nH]c2ccccc2c1=N)C12CC3CC(CC(C3)C1)C2 3851020 FDMMXMMAAXJAPP-JSFDKUKPSA-N 323.440 3.586 0 40 DHAB C/C=C/C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5462905 WWZFWUFJQZTZIV-DCVFFXCOSA-N 313.328 3.625 0 40 DHAB O=C(CN1CCc2ccccc21)Nc1cc(Cl)ccc1Cl 5688575 GNUWKYSUVMSJBY-UHFFFAOYSA-N 321.207 3.995 0 40 DHAB CCc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 6653075 BZVDOUAPUGKTJE-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB CSc1nc2ccccc2n1Cc1nnc(-c2ccccc2)o1 6664776 FNJFOSOTCNTFKM-UHFFFAOYSA-N 322.393 3.857 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 6788881 UTQFUWRONXIINS-UHFFFAOYSA-N 308.381 3.776 0 40 DHAB CSCc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 6879063 NLTXNHUNNWWSHN-UHFFFAOYSA-N 303.402 3.661 0 40 DHAB COc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)O)cc1 8116466 BROPZTMFAIZLGB-GIJQJNRQSA-N 319.744 3.563 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccsc2)c1 11438409 SYDIXVPWBUUVHO-AWEZNQCLSA-N 302.443 3.824 0 40 DHAB Cc1ccc2nc(C)cc(C(=O)NOCc3ccccc3)c2c1 12782912 GNWAYKKSVYANJA-UHFFFAOYSA-N 306.365 3.713 0 40 DHAB CCc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 13790730 JUXXFWFXFOAMSW-UHFFFAOYSA-N 314.410 3.829 0 40 DHAB CCOC(=O)c1ccccc1NC(=S)Nc1ccc(F)cc1 13812294 KPHIBWDRZFENTP-UHFFFAOYSA-N 318.373 3.811 0 40 DHAB CCNC(=O)c1cccc(NC(=O)c2cccc3ccccc23)c1 14161967 FVTSSUGNYVWFIG-UHFFFAOYSA-N 318.376 3.842 0 40 DHAB COc1cc(/C=C/C(=O)Nc2cc(F)ccc2C)cc(OC)c1 14180195 LFCNTRKNLWSDHO-FNORWQNLSA-N 315.344 3.803 0 40 DHAB COc1cc(C(=O)Nc2ccncc2)cc(Cl)c1OC(C)C 17584231 BEJTVZMQAVGHGQ-UHFFFAOYSA-N 320.776 3.783 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)c1 19736494 IXYXDBMGFARHCG-LBPRGKRZSA-N 318.804 3.945 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N)cc2Cl)c1 21503379 YWKIUUALNIOLAM-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(OC)c1C 22512185 CGBFJMUJSUPMRD-ZDUSSCGKSA-N 307.434 3.957 0 40 DHAB O=C(Cc1cccs1)NCCSc1ccc(Cl)cc1 23922525 BTQZLLJXUYWWGU-UHFFFAOYSA-N 311.859 3.853 0 40 DHAB Clc1nc(Cl)c2cccc(I)c2n1 26894473 IDPKBCBSWUKDKO-UHFFFAOYSA-N 324.936 3.541 0 40 DHAB CCn1nccc1CN(C)C(=O)c1cc(SC)ccc1Cl 28230959 GWPICNCZGNGFBE-UHFFFAOYSA-N 323.849 3.551 0 40 DHAB CCCCC[C@@H](C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 29472418 ZBKGRDKOSRWRJP-TZMCWYRMSA-N 309.837 3.976 0 40 DHAB CCCCOc1ccc(SCCCN2CCOCC2)cc1 31623717 UXUNJIUAOFXDLT-UHFFFAOYSA-N 309.475 3.680 0 40 DHAB C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccccc1 32931198 SCLVDGCWRFGNPG-GFCCVEGCSA-N 320.795 3.734 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 34916275 XKFIUJRRUGOOKR-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CC(C)C(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1 35314914 DKBKJMXWLRZZPB-UHFFFAOYSA-N 323.440 3.608 0 40 DHAB CN(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cn1 40073354 VFYVNAMFQBLSBJ-UHFFFAOYSA-N 310.184 3.707 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccc(N3CCOC3=O)cc2)c(C)c1 40092862 IYXQOSQXKOGWGD-UHFFFAOYSA-N 324.380 3.821 0 40 DHAB COc1ccc(C)cc1[C@H](O)c1cccc(Br)c1 40264091 QTVDPNHSLJESTA-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB O=C(Nc1ccc2nc[nH]c2c1)c1cccc(Br)c1 40286508 IWOWQYASCFDJAP-UHFFFAOYSA-N 316.158 3.578 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)N[C@H](C)c1ccc(Cl)s1 46597819 PRSDEMAYEGURMX-GHMZBOCLSA-N 316.854 3.531 0 40 DHAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc[nH]1 47274825 CCICGRMONJTGQM-CYBMUJFWSA-N 312.398 3.993 0 40 DHAB COc1ccc(C)cc1Nc1cc(N)nc(-c2ccc(F)cc2)n1 49467997 BJCDDFCSQOBTJW-UHFFFAOYSA-N 324.359 3.926 0 40 DHAB COc1ccc(C(=O)Nc2cc(C)nn2C)cc1-c1ccccc1 50312517 WAQUJWGAIFRQKN-UHFFFAOYSA-N 321.380 3.656 0 40 DHAB CCCOCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 58202461 LIMAIULFGUSXEU-UHFFFAOYSA-N 318.373 3.717 0 40 DHAB CNC(=S)N1N=C(c2ccsc2)C[C@@H]1c1ccc(F)cc1 58268772 RHAAGASRMUAYPS-CQSZACIVSA-N 319.430 3.543 0 40 DHAB O=C(CCc1nccs1)N1CCCC[C@@H]1Cc1ccccc1 69455381 CBRNQRJCQADNCP-MRXNPFEDSA-N 314.454 3.700 0 40 DHAB O=C(CC(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1 69492399 NPCHHZNYCWHESP-UHFFFAOYSA-N 303.299 3.559 0 40 DHAB CN(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CCCCCCC1 71850142 ANPVSDLKFDKGAE-UHFFFAOYSA-N 321.396 3.501 0 40 DHAB C[C@@H]1CCC[C@H](N(C)C(=O)c2coc(Br)c2)C1 78270048 VXLQFEMFBXXAOQ-KOLCDFICSA-N 300.196 3.693 0 40 DHAB CC(=O)c1ccc(OCc2cccc(Cl)c2)c(C(=O)O)c1 85397467 WDIVOYOMFWNKTK-UHFFFAOYSA-N 304.729 3.820 0 40 DHAB CC(=O)Nc1cccc(CNc2cc(C(F)(F)F)ccn2)c1 89265562 ILVZLECKJHLNIY-UHFFFAOYSA-N 309.291 3.671 0 40 DHAB CC(C)CCO[C@H]1CCCC[C@H]1NC(=O)CCc1ccco1 89336794 CFWSTGFMQHYFNT-SJORKVTESA-N 307.434 3.702 0 40 DHAB C[C@@H]1CCN(CCSc2ccccc2)C[C@@H]1n1ccnc1 89929999 NRJWNEASDKXHSH-WBVHZDCISA-N 301.459 3.558 0 40 DHAB Cc1nnc(CSCc2cccc(Br)c2C)o1 90225197 JYANKSOPGRBPLH-UHFFFAOYSA-N 313.220 3.882 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2c[nH]c3ncccc23)cc1 95361001 LHXRRUTUOVBRDJ-QGZVFWFLSA-N 321.380 3.549 0 40 DHAB CCNCc1ccccc1NC(=O)[C@H]1CSc2ccccc21 95405643 WFYIMKFFIGUEMZ-HNNXBMFYSA-N 312.438 3.624 0 40 DHAB CC(C)(C)NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 95411790 RGDLMCJIQHDSPD-UHFFFAOYSA-N 300.362 3.534 0 40 DHAB COC(=O)CC1(NC[C@H](C)c2ccc(OC)cc2)CCCCC1 95463717 DOGQGAJCKQCJQW-HNNXBMFYSA-N 319.445 3.654 0 40 DHAB CCn1c(C)nnc1CN[C@@H](c1ccccc1Cl)C(C)C 95985228 FLGQQXYAFHHVBL-MRXNPFEDSA-N 306.841 3.747 0 40 DHAB CCC(=O)N1CC[C@@H](N[C@@H](C)c2cc3cc(Cl)ccc3o2)C1 95988001 YVEDMSPDDWZJFT-SMDDNHRTSA-N 320.820 3.748 0 40 DHAB CC[C@@H]1C[C@H](C(=O)Nc2c(F)cccc2NC2CC2)CCO1 97059585 SDNFRTNUCBDZIX-DGCLKSJQSA-N 306.381 3.544 0 40 DHAB Cc1c(O)nc(SCc2nccs2)nc1-c1ccccc1 97094777 NBZBYSQNYZGPFT-UHFFFAOYSA-N 315.423 3.906 0 40 DHAB COc1cc(C)c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 103356863 HHIOFIFJDLNRDD-IHRRRGAJSA-N 303.402 3.777 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@]2(c3ccc(Cl)cc3)O[C@@H]2C1 114319803 IEKJNOVFRINURO-CZUORRHYSA-N 309.793 3.575 0 40 DHAB Cc1ccc(COC(=O)c2snnc2-c2ccccc2)cc1 223833661 WYYHRTNFHKXQEZ-UHFFFAOYSA-N 310.378 3.871 0 40 DHAB O=C(Nc1ccc2c(c1)COCc1cccn1-2)c1cccs1 225379663 NVUBXIQDPFQGJG-UHFFFAOYSA-N 310.378 3.821 0 40 DHAB COc1cccc(C2(F)CCN(C(=O)c3occc3C)CC2)c1 252498534 RECLAHALONTALQ-UHFFFAOYSA-N 317.360 3.698 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cccc2ncccc12 257233267 GONSKRQBGPGCDU-QGZVFWFLSA-N 320.396 3.634 0 40 DHAB COc1cc2c(cc1OC)CN(c1ccnc3ccccc13)CC2 346591597 JUOHUFFENFPYGR-UHFFFAOYSA-N 320.392 3.815 0 40 DHAB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2C)c2ccccc21 409113341 HVYTUHIOASYEGR-WJDWOHSUSA-N 323.392 3.919 0 40 DHAB CCOC(=O)[C@H]1C(=N)c2cc(OC)ccc2[C@H]1Cc1ccccc1 524735316 RHSZUNZXRSUSGK-SJLPKXTDSA-N 323.392 3.582 0 40 DHAB Cc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O 55181 PKXIMNLITPZZMH-UHFFFAOYSA-N 316.154 3.558 0 40 DHAB COc1ccc2ccccc2c1[C@H]1NC(=O)c2ccccc2N1 135667 YVJMAMMDKUHGQD-GOSISDBHSA-N 304.349 3.703 0 40 DHAB COc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 176357 KSQMRTMMXAXGAT-UVTDQMKNSA-N 313.740 3.693 0 40 DHAB CC(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1 322006 CIJXBIXXYJVQLZ-UHFFFAOYSA-N 301.415 3.759 0 40 DHAB Cn1c(COc2ccccc2)nnc1SCc1ccccc1 420595 ORQJOTCSHLNMKP-UHFFFAOYSA-N 311.410 3.686 0 40 DHAB O=C(c1cc2cc(Br)ccc2s1)N1CCCC1 1386246 YYIWVUFCGGTRJN-UHFFFAOYSA-N 310.216 3.900 0 40 DHAB CC(=O)Nc1cc2c(cc1Br)-c1ccccc1C2 1580948 HYSLAAVUYZNFHU-UHFFFAOYSA-N 302.171 3.979 0 40 DHAB COC(=O)[C@@](F)(Sc1c[nH]c2ccccc12)C(F)(F)F 1827072 JDNJCEPNLOWAEZ-LLVKDONJSA-N 307.268 3.661 0 40 DHAB CCN(C(=O)COC(=O)c1ccco1)c1cccc2ccccc12 3244691 QRXUYGDVTKPQSW-UHFFFAOYSA-N 323.348 3.643 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3)o2)c(C)c1 4479469 LNYYEGXERYIKBD-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB Cc1cccn2cc(COCc3nc4ccccc4s3)nc12 4625908 HOKOGZSNPHXPJX-UHFFFAOYSA-N 309.394 3.969 0 40 DHAB Cc1cccc(OCc2ccc(C(=O)Nc3cc(C)on3)o2)c1 5032893 CPPLZCVHKRJNDX-UHFFFAOYSA-N 312.325 3.716 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1 5101583 PZGAKALAQSOSAK-QWRGUYRKSA-N 324.446 3.949 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)C2CC2)c2ccccc2)c1 5117420 YRTOZROKOQLMRJ-GOSISDBHSA-N 323.392 3.936 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)c(O)c1 5341582 SEJSLLKEHVJNLB-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C)cc1C 5375256 FRLFPCJSLFDDBZ-KRWDZBQOSA-N 313.353 3.602 0 40 DHAB O=Nc1c(-c2ccc(Br)cc2)nc2ncccn12 5729249 WDQHAMWPYJUNPA-UHFFFAOYSA-N 303.119 3.557 0 40 DHAB CCc1cccc2c(C=O)cn(CC(=O)Nc3ccc(F)cc3)c12 6285724 USJACBVDLCGBQB-UHFFFAOYSA-N 324.355 3.794 0 40 DHAB Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2C[C@@H]2C)c2ccccc2)cc1 6639966 WPZORLNZTXBGHQ-JCGIZDLHSA-N 323.392 3.874 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c(C)c1 8479735 NHEYXJHGAHBYKB-CQSZACIVSA-N 309.475 3.719 0 40 DHAB Fc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cccc23)cc1 8702052 OKHSPTMOLWMUGP-UHFFFAOYSA-N 313.723 3.603 0 40 DHAB CCOc1ccc(-c2cc(=O)c3ccc(NC(C)=O)cc3o2)cc1 9660283 FLHMDTHJTBIMQT-UHFFFAOYSA-N 323.348 3.817 0 40 DHAB biogenic CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 9827816 ZUYDZIRTOSGIDB-UHFFFAOYSA-N 310.353 3.663 0 40 DHAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccno1 10253972 OLBKUMJTKRDCTD-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB O=C(NC1CC1)[C@H](Nc1cc(F)cc(F)c1)c1ccc(F)cc1 11085047 XJMBGJJJXNXCDH-MRXNPFEDSA-N 320.314 3.536 0 40 DHAB O=C(Nc1nc(-c2cccs2)ns1)c1ccc(F)cc1 11916751 VXJYMJLGZQDGDY-UHFFFAOYSA-N 305.359 3.658 0 40 DHAB O=C(O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 11961764 GKPPWTYIGIOWRT-CYBMUJFWSA-N 307.143 3.654 0 40 DHAB CCOc1ccc2nc3c(cc2c1)CN(Cc1ccco1)C(=O)O3 12222207 ISAPPTOCPFZCOS-UHFFFAOYSA-N 324.336 3.741 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CCc2ccccc2)c1C 12904275 BNVQHZLFRFHSRP-LBPRGKRZSA-N 312.413 3.585 0 40 DHAB Cc1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)c(O)c1 13004051 YCPHFRBYQUFQDK-UHFFFAOYSA-N 321.808 3.767 0 40 DHAB OC1=Nc2ccccc2-c2nc(/C=C/c3cccs3)nn2C1 13690756 AXNKRQHNWRGWNF-BQYQJAHWSA-N 308.366 3.779 0 40 DHAB Cc1ccc(NC(=O)NC2C(C)(C)CC(=O)CC2(C)C)cc1 16293081 NDDBWZXBQYWBLC-UHFFFAOYSA-N 302.418 3.900 0 40 DHAB O=C(/C=C/c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 18255291 QFDOQJQKCNJMCA-QFQMRYFISA-N 317.392 3.940 0 40 DHAB COc1ccccc1[C@H]1CCCN1Cc1c(C)nc2ccccn12 19654484 XIVDCLZNBKRODR-QGZVFWFLSA-N 321.424 3.988 0 40 DHAB CCCCNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 21329798 GUHPNJUJXIWADQ-UHFFFAOYSA-N 302.443 3.886 0 40 DHAB CC[C@H](Nc1cc(C)nc2ncnn12)c1ccc(Cl)cc1 22136455 HXLBMYSCEKGYAX-ZDUSSCGKSA-N 301.781 3.649 0 40 DHAB O=C(c1cc(-c2ccccc2)on1)N1CCc2sccc2C1 22597887 KOUCBFNRAMJMKV-UHFFFAOYSA-N 310.378 3.602 0 40 DHAB Nc1nc(SCCCOc2ccccc2)nc2sccc12 23007577 UQXWRQLHMCDSPH-UHFFFAOYSA-N 317.439 3.835 0 40 DHAB O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1C[C@H]1c1ccccc1 28246297 HEZQQKALHWKOSW-ZWKOTPCHSA-N 303.365 3.615 0 40 DHAB CCCCNC(=O)Nc1cnn(Cc2ccccc2Cl)c1 32611447 VCQQRRHZIKSGOQ-UHFFFAOYSA-N 306.797 3.506 0 40 DHAB CCn1c2ccccc2c2cc(CNCCn3ccnc3)ccc21 32735869 OCAVMKVWIDNDMV-UHFFFAOYSA-N 318.424 3.801 0 40 DHAB CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 32883619 URYYATLZMHBJDH-UHFFFAOYSA-N 311.794 3.577 0 40 DHAB CC[C@H](O)[C@H](O)/C=C\C/C=C\CCCCCCCCC(=O)O 36378893 IQWYIIPDFISFMV-APRAABHFSA-N 312.450 3.826 0 40 DHAB biogenic,in-vitro CC(=O)O[C@]1(Cc2ccccc2)CN2CC[C@@H]1c1ccccc12 38601205 LVHTUQSUYMWMGX-UYAOXDASSA-N 307.393 3.539 0 40 DHAB COc1ccc(F)cc1-c1csc(NC(=O)c2ccoc2)n1 40111345 KGQAUYWSOBTEFS-UHFFFAOYSA-N 318.329 3.803 0 40 DHAB C[C@H](SCc1ccccc1F)C(=O)NCc1ccccc1 45089753 JLAHIOMIJRLKHG-ZDUSSCGKSA-N 303.402 3.764 0 40 DHAB CC(C)c1ccc(C(=O)Nc2ccccc2Cn2cncn2)cc1 55969026 FTSUBBCCXQKJJF-UHFFFAOYSA-N 320.396 3.702 0 40 DHAB Cc1cc(C)cc(OCCNC(=S)Nc2ccccc2)c1 63674555 WXDXPLNOQHUVEK-UHFFFAOYSA-N 300.427 3.669 0 40 DHAB CC(C)CCN(C)C(=O)c1cnc2c(cnn2C2CCCC2)c1 69418929 JCJQGUSKAQWMKG-UHFFFAOYSA-N 314.433 3.665 0 40 DHAB Cc1cccc(OC(F)F)c1NC(=O)[C@H]1C[C@@H]1c1ccco1 69536055 SSSPYEMBAQXZNJ-QWRGUYRKSA-N 307.296 3.932 0 40 DHAB Fc1ccc(NCc2cc(-c3ccccc3)cn3nnnc23)cc1 72392287 RIOHLNXXABSOIW-UHFFFAOYSA-N 319.343 3.543 0 40 DHAB Cc1cc(C)n([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n1 74121584 TUKDRCKTYBKDTN-GFCCVEGCSA-N 300.337 3.607 0 40 DHAB CC[C@@H](NC(=O)Nc1c(C)nn(C(C)C)c1C)c1ccncc1 76066215 GKEHEBQARXGGEL-OAHLLOKOSA-N 315.421 3.749 0 40 DHAB CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)O)c(F)c2)CC1 79034356 KEEUVLXBYIPQDV-UHFFFAOYSA-N 323.364 3.638 0 40 DHAB CC(=O)Nc1ccc([S@@](=O)CCc2ccccc2Cl)cc1 83077188 TYRMKSDQNXUEOO-OAQYLSRUSA-N 321.829 3.649 0 40 DHAB CCOC(=O)c1ccc(CSc2nc3ccccc3o2)o1 91558820 TVCAGBBNOJBCDF-UHFFFAOYSA-N 303.339 3.890 0 40 DHAB COc1ccc([C@@H]2CCN(Cc3ccccc3NC(C)=O)C2)cc1 92783592 YXKUKKPJNCUFOV-QGZVFWFLSA-N 324.424 3.643 0 40 DHAB Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(-n3cncn3)cc1)CC2 95419444 FTSVKBAMOFXCJD-QRWLVFNGSA-N 318.424 3.914 0 40 DHAB C[C@H](CNC[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 95443045 PLXUJAKOKODMLM-QAPCUYQASA-N 316.420 3.949 0 40 DHAB CN(C)C[C@@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 96007673 BKXPATMRYSICGM-KRWDZBQOSA-N 323.440 3.828 0 40 DHAB C[C@H](c1ccncc1)N(C)Cc1cnc(-c2ccccn2)s1 97113678 XBCICHWAMKGLKI-CYBMUJFWSA-N 310.426 3.793 0 40 DHAB Cc1cccc(-c2nnc(-c3cc4ccccc4oc3=O)o2)c1 138051044 RAKFXTZLOTVELP-UHFFFAOYSA-N 304.305 3.818 0 40 DHAB COCc1cccc(NC(=O)c2ccc(OC)c(Cl)c2)c1 225186755 VUNVUAYUWUAGBM-UHFFFAOYSA-N 305.761 3.747 0 40 DHAB COc1cccc(NC(=S)NCCCc2ccc(C)cc2)c1 225386890 YWOLCQQFBWJXSY-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB CCc1ccc([C@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1 225398084 GAPZEHOHLYZJBF-LBPRGKRZSA-N 301.361 3.888 0 40 DHAB CCc1nc2cc(C(=O)NC3CCCCCCC3)ccc2n1C 225897710 JSJXPLOWDHQIMV-UHFFFAOYSA-N 313.445 3.978 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 226265897 PDAWABHAFNWVQZ-UHFFFAOYSA-N 309.413 3.820 0 40 DHAB CC(C)N(c1ccc(N)cc1C(=O)N1CCCCC1)C(C)C 226323538 XHWPAFNWKSYUTK-UHFFFAOYSA-N 303.450 3.518 0 40 DHAB CCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2C(C)C)n1 257234125 GSGDCINYNIDUHB-KRWDZBQOSA-N 313.449 3.604 0 40 DHAB Fc1ccccc1Cc1cnc([C@@H]2CCCN2c2ccncn2)o1 257319726 VTUZWQBQDSLVHS-INIZCTEOSA-N 324.359 3.536 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260801495 ZPPLFXSFRMOTFZ-IPQUUHLSSA-N 313.441 3.638 0 40 DHAB COc1ccccc1C1(F)CCN(Cc2cscn2)CC1 373862389 HYDGBROTRKGAIB-UHFFFAOYSA-N 306.406 3.613 0 40 DHAB C[C@H]1CC[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)CC1 577855121 GIDMEHZOZMFCFG-RUCARUNLSA-N 323.440 3.832 0 40 DHAB O[C@H]1C[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 1697540 AIQYEQPOBADLFA-BDTNDASRSA-N 314.384 3.969 0 40 DHAB CCCOC(=O)N[C@@H](CC)COC(=O)Nc1cccc(C)c1C 3150023 LUHNMBBHYUUTJF-AWEZNQCLSA-N 322.405 3.767 0 40 DHAB aggregator O=C(COc1cccc2ccccc12)N1CCc2ccccc2C1 3197370 HKXKEVUXHWKHLL-UHFFFAOYSA-N 317.388 3.804 0 40 DHAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1cccc(F)c1 3314827 SWTLROFEBUFYHZ-CQSZACIVSA-N 301.361 3.503 0 40 DHAB Cc1csc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)n1 3333945 UDESQQVMVQNWJW-SNVBAGLBSA-N 310.806 3.819 0 40 DHAB Cc1csc(SCC(=O)Nc2ccc3c(c2)CCC3)n1 3416701 SYBWBAXGOBPLTD-UHFFFAOYSA-N 304.440 3.671 0 40 DHAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c(C)o1 3464609 TYWZOKGQJQTFGT-UHFFFAOYSA-N 315.369 3.689 0 40 DHAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(F)cc1 4275896 JXEVNTLUIIAJJU-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1 4275955 DUJVDSCRQPONIV-IZZDOVSWSA-N 309.300 3.528 0 40 DHAB Cc1nc2c(sc3nc4c(cc32)CSC(C)(C)C4)c(=O)o1 4641692 CPPPIGQSXFFKPV-UHFFFAOYSA-N 318.423 3.674 0 40 DHAB CC(C)(C)NC(=O)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854335 AHXVIQYRTGRLIW-INIZCTEOSA-N 315.392 3.540 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C 5439825 LZFMMMNSOJQGQW-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COc1ccc(C(=O)CSc2nc(C)c3ccccc3n2)cc1 6527701 GTOYKZWPQVHRFD-UHFFFAOYSA-N 324.405 3.922 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)CSc1ncccn1 6913647 NZYPZAIYTHASHR-GFCCVEGCSA-N 301.415 3.721 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1cnn(Cc2ccccc2)c1 7071689 HWHFJUVFBAVUKJ-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB Cc1cccn2cc(CSc3nncn3-c3ccccc3)nc12 7677553 PPDJINKTEHUWHW-UHFFFAOYSA-N 321.409 3.516 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1C 8050616 AHFXZAQOXYEAKA-INIZCTEOSA-N 309.409 3.656 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1cccc(Br)c1 8104800 LHOWZWHOMDAVGR-SECBINFHSA-N 301.253 3.924 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)c1[nH]nc2c1CCCC2 8996556 SRYZMJHWJSAPAT-UHFFFAOYSA-N 309.291 3.560 0 40 DHAB Cc1nc(-c2ccccc2O)n(-c2nc3ccccc3s2)n1 9142720 VWSAPXWYBPCIGD-UHFFFAOYSA-N 308.366 3.558 0 40 DHAB CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1 12111301 KEIBCQSPUFHGBX-UHFFFAOYSA-N 323.352 3.776 0 40 DHAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccs1 12520289 QIEYKWHPSIMUSJ-JTQLQIEISA-N 315.373 3.768 0 40 DHAB Cc1cc(C)cc(C(=O)NCc2coc(-c3cccs3)n2)c1 12784740 OMVYHKKWUGSZOB-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB O=C(Nc1cc(F)ccc1F)c1cc(F)c(F)c(F)c1F 12920374 JTJQLNBYCCROMW-UHFFFAOYSA-N 305.177 3.774 0 40 DHAB Cc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 13131315 QUCFOWADJYAOPP-DLBZAZTESA-N 319.412 3.623 0 40 DHAB Cc1nc(-c2ccc(CNC(=O)c3ccco3)s2)cs1 13988465 PFGAVBKKOFPJBE-UHFFFAOYSA-N 304.396 3.703 0 40 DHAB Cc1cc(CS[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)on1 14196959 VCQIRZDEMSQEFP-NSHDSACASA-N 308.378 3.691 0 40 DHAB Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccccc1O 14198458 YPWQTGNXDSUVOV-UHFFFAOYSA-N 305.761 3.680 0 40 DHAB CC(C)C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 14257858 GALBYVAOKZQAHA-ZDUSSCGKSA-N 319.474 3.534 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCCSC2CCCCC2)c1 14396242 ASTKQSWTUHLRTL-HNNXBMFYSA-N 321.486 3.944 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 16138628 CZORMLIIFXZLBC-OCVGTWLNSA-N 313.784 3.598 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 20485622 MIMTZFYZZJANBE-KBPBESRZSA-N 301.361 3.779 0 40 DHAB CC[C@@H](C)Nc1cc(C)nc2cc(-c3ccccc3OC)nn12 21150531 LNQOEUQWNPQAFV-GFCCVEGCSA-N 310.401 3.924 0 40 DHAB CCN(CC)CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 21212750 UWEVXLKPQIEOBG-UHFFFAOYSA-N 320.820 3.672 0 40 DHAB O=C(Nc1cccc2cnccc12)[C@H]1Cc2ccccc2S1 21220047 RXQAZYLVYWXCFV-QGZVFWFLSA-N 306.390 3.890 0 40 DHAB C[C@](NCCc1cccs1)(C(=O)O)c1ccccc1Cl 22116235 FQGRUDPKXRQARQ-OAHLLOKOSA-N 309.818 3.534 0 40 DHAB CC1CCC(NC(=O)Cc2csc(-c3ccco3)n2)CC1 22962581 YWGUJSDBRYZKPN-UHFFFAOYSA-N 304.415 3.641 0 40 DHAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 27320804 WXOMGPXLURCHCY-ZDUSSCGKSA-N 321.424 3.610 0 40 DHAB O=C(Nc1cccc(F)c1)c1ccc2[nH]c(C(F)(F)F)nc2c1 28539812 PSJQPRQBEFKKRG-UHFFFAOYSA-N 323.249 3.973 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 30751428 GNNDYRQFKWXLCN-QAPCUYQASA-N 309.409 3.956 0 40 DHAB O=C(CCc1nnc(-c2ccsc2)o1)NC1CCCCCC1 30807972 JPOSFPIPGLCQMV-UHFFFAOYSA-N 319.430 3.570 0 40 DHAB C[C@H]1c2ccsc2CCN1S(=O)(=O)/C=C/c1ccccc1 31076027 XGXNFFBCWRXVLK-SRXBQZRASA-N 319.451 3.668 0 40 DHAB Cc1ccc(NC[C@H](O)COc2ccc(Cl)cc2)cc1C 32203351 KPPMRVKQWNMPOO-INIZCTEOSA-N 305.805 3.809 0 40 DHAB CCOCc1ccc2oc(-c3ccc(F)cc3)c(O)c(=O)c2c1 32616568 UNCHNGYWDIEJHA-UHFFFAOYSA-N 314.312 3.841 0 40 DHAB CN(C)[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 32755355 GSFSTPBMDAZBRL-VQTJNVASSA-N 322.452 3.526 0 40 DHAB C/C=C/COC(=O)c1ccc(OCc2csc(C)n2)cc1 36395745 CMSZOWGCFMUHDP-ONEGZZNKSA-N 303.383 3.763 0 40 DHAB C[C@H]1CCCN(Cc2ccc(C(=O)NC3CCCCC3)cc2)C1 38832574 ILMRSYDPMRVVEF-INIZCTEOSA-N 314.473 3.981 0 40 DHAB O=C(NCCSc1ccccc1)Nc1ccc(F)c(F)c1 40097595 IWSDRTHOGQQUDS-UHFFFAOYSA-N 308.353 3.879 0 40 DHAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)cc1F)c1ccccc1O2 67225319 AUVZNFLTIBDCHF-CXAGYDPISA-N 316.307 3.734 0 40 DHAB CCONC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 69370840 FFUSFBHHKXBFFS-UHFFFAOYSA-N 316.304 3.510 0 40 DHAB Cc1cncc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)c1 72298556 DNMZWJPFWCSWQF-CQSZACIVSA-N 301.415 3.522 0 40 DHAB CCO[C@@H]1C[C@H](NC(=O)c2sc(C)cc2OC)C12CCCC2 72303471 LCJQZXDRXVBNQO-UONOGXRCSA-N 323.458 3.533 0 40 DHAB CCCCn1c2ccc(C(=O)O)cc2c2cc(C(=O)O)ccc21 73634135 OOMSQLIQOAEEQL-UHFFFAOYSA-N 311.337 3.991 0 40 DHAB Cc1nc2ccc(NC(=O)N[C@H](C)c3nccs3)cc2s1 78602673 XQTZDAUFDBPTLY-MRVPVSSYSA-N 318.427 3.944 0 40 DHAB CC(C)N(Cc1csc(-c2ccsc2)n1)CC(C)(C)O 79109266 QBVMUTQJNXRVGY-UHFFFAOYSA-N 310.488 3.853 0 40 DHAB O=C(NCCc1ccc(O)cc1)Nc1cccc2c1CCCC2 84445718 CDAAYLWDFBXUHW-UHFFFAOYSA-N 310.397 3.635 0 40 DHAB Cc1occc1CNC(=O)N(Cc1ccccc1)CC(F)F 89540710 SDTKBTFWEMQOEU-UHFFFAOYSA-N 308.328 3.565 0 40 DHAB Cc1nc(CC(C)C)c(NC(=O)Nc2c(C)n[nH]c2C)s1 89875516 QZVYQLUFXKSIFP-UHFFFAOYSA-N 307.423 3.634 0 40 DHAB c1ccc(-c2cc(CNc3ccccc3-n3cccn3)n[nH]2)cc1 90192203 RVAPFNVAEPBNAD-UHFFFAOYSA-N 315.380 3.875 0 40 DHAB NC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 90558181 ZOIBKAPMRJHRNY-OAHLLOKOSA-N 317.751 3.709 0 40 DHAB COC(=O)c1cc(Cl)cc2c1ccn2C(=O)OC(C)(C)C 95093411 GQACOPHKBUKDGE-UHFFFAOYSA-N 309.749 3.865 0 40 DHAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1[nH]nc2c1CCCC2 95957414 DPXAWIWJMTUELF-CQSZACIVSA-N 323.440 3.729 0 40 DHAB CC[C@H](C)Oc1cc(C)ccc1CN[C@H](C)c1cnn(C)c1 95969293 LDTQWKRPCJSWQI-LSDHHAIUSA-N 301.434 3.757 0 40 DHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccoc1 96096832 ZMFGHMVJALSQPN-UHFFFAOYSA-N 305.377 3.848 0 40 DHAB O=C(Nc1ccc(CCO)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 96403191 RCYZBRQNLWOWSR-QWHCGFSZSA-N 315.335 3.529 0 40 DHAB S=C(/N=c1\ccccn1Cc1ccccc1)Nc1ccccc1 100019084 FRGZFLIXLHPZII-DYTRJAOYSA-N 319.433 3.834 0 40 DHAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@H]2C1=O 100060590 OMWHWNXMGRTOLH-RGCFKVTRSA-N 319.404 3.787 0 40 DHAB COc1ccccc1-n1nc(-c2ccccc2Cl)cc1O 101265212 QTHLQUCLRBVOJU-UHFFFAOYSA-N 300.745 3.907 0 40 DHAB COc1ccc(N2CC(O)=C(c3nc(C)c(C)s3)C2=N)cc1 102719408 RBRNFDINORQSNW-UHFFFAOYSA-N 315.398 3.535 0 40 DHAB Clc1cccc(NCc2ccccc2)c1N1CCOCC1 111184056 YXACFWGXFLYWDV-UHFFFAOYSA-N 302.805 3.789 0 40 DHAB CCc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 130936800 JTSWVTZNVCQZKT-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB COCCCNCc1cc(C)n(Cc2cccc(C)c2)c1C 223663150 AIOQWQGAOKXUJO-UHFFFAOYSA-N 300.446 3.588 0 40 DHAB Cc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2C)cc1 225058229 UWTKIYMJVIPFNB-UHFFFAOYSA-N 310.441 3.868 0 40 DHAB C[C@H](O)c1ccc(CCNC(=O)Nc2cccc(Cl)c2)s1 225690489 DJCGUMNIXOMWFE-JTQLQIEISA-N 324.833 3.819 0 40 DHAB Fc1cccc(NC(=S)NCCOc2ccccc2Cl)c1 225779928 IVDVWUJDKPARTB-UHFFFAOYSA-N 324.808 3.845 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=S)NC(CC)CC)c1 225801351 GIJGSGKHMBCGQF-UHFFFAOYSA-N 308.447 3.647 0 40 DHAB Cc1cccc2cc(C(=O)Nc3c(F)cccc3F)c(=O)oc12 226034772 MWGWADPVNCPHDC-UHFFFAOYSA-N 315.275 3.632 0 40 DHAB CO[C@@H]1CCCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)C1 227674507 PXVCTSVKHOQSEU-CRAIPNDOSA-N 314.429 3.597 0 40 DHAB C[C@@H](NC(=O)c1n[nH]c2c1CCCCCC2)[C@H]1C[C@H]2CC[C@H]1C2 248376614 DBSJVCSOXDFVEP-ORIJERBGSA-N 315.461 3.623 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CC2(CC2)c2ccccc21 548174131 CAYKKVBNRYQBQP-INIZCTEOSA-N 320.436 3.758 0 40 DHAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccsc1 618256969 PHXQMIQVNCZGFT-ZDUSSCGKSA-N 303.408 3.965 0 40 DHAB O=C(CSc1nc2ccccc2o1)Nc1ccccc1F 51885 PMAMNTSUDYTHRW-UHFFFAOYSA-N 302.330 3.698 0 40 DHAB CN1[C@H]2CC[C@@H]1CC(OC(=O)C1(c3ccccc3)CCCC1)C2 93690 WQIVCNLLAVUHIE-JWTNVVGKSA-N 313.441 3.667 0 40 DHAB O=C1N[C@@]2(C=Cc3c(ccc4ccccc34)O2)Oc2ccccc21 291357 XGNIWAINDZATCD-FQEVSTJZSA-N 315.328 3.722 0 40 DHAB CCC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 560801 JUQPYVFXWBRJOZ-UHFFFAOYSA-N 312.413 3.683 0 40 DHAB CCCN(C(=O)C(C)C)c1nnc(-c2ccccc2C)s1 1345283 YJBDEJJGJGXVCK-UHFFFAOYSA-N 303.431 3.913 0 40 DHAB Cc1cc(NC(=O)C2CCCCC2)ncc1NC(=O)C(C)(C)C 1358113 CKQLINDNBQVWOG-UHFFFAOYSA-N 317.433 3.893 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1F 1993535 LUASBGQCVAWQCX-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)o1 2430925 UMQPUGUWGHDVAG-UHFFFAOYSA-N 318.329 3.752 0 40 DHAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(F)c(F)c1 2514589 AMAQRLIZIIEDHT-UHFFFAOYSA-N 301.336 3.792 0 40 DHAB Cc1ccc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 2702325 KIPYZSNWYRILFX-UHFFFAOYSA-N 321.376 3.835 0 40 DHAB Cc1cccc(CN2CCC(N3C[C@@H](C)C[C@H](C)C3)CC2)c1 2734819 IKWJPDFXHXSQPP-ROUUACIJSA-N 300.490 3.937 0 40 DHAB Cc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(Cl)cc1 2735703 AVSMEKDXYADBPI-UHFFFAOYSA-N 324.789 3.575 0 40 DHAB COc1ccccc1CNC(=O)c1cc(F)c(F)cc1Cl 3360055 FNAANIKJRCRADN-UHFFFAOYSA-N 311.715 3.557 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1 4276143 JLWCXPHTAIANIH-UHFFFAOYSA-N 305.765 3.909 0 40 DHAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccco2)N3)C1 4554033 DPERDGXWKFXBOX-CQSZACIVSA-N 317.414 3.537 0 40 DHAB COc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 5169642 VWOFAQYYLGAQKE-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc3ccccn23)cc1 6114973 PAZLMIJJSGZLDH-GFCCVEGCSA-N 311.410 3.655 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc(F)cc2s1 6852275 UWXHVSDOVKJJHD-SNVBAGLBSA-N 316.357 3.841 0 40 DHAB COc1ccc(NC(=S)NCCCOC2CCCCC2)cc1 7011019 GDUOOIMGUCOSNA-UHFFFAOYSA-N 322.474 3.721 0 40 DHAB O=C(Cc1ccc(F)cc1)OCc1ncc(-c2ccccc2)o1 7514850 VAUNOQBCGKNMKU-UHFFFAOYSA-N 311.312 3.767 0 40 DHAB O=C1c2ccccc2N[C@@]2(CCSC2)N1c1ccc(F)cc1 8747634 RZAYHOPCEQQTMT-KRWDZBQOSA-N 314.385 3.731 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(F)cc1Cl 8772656 XSNDWQMPGIUBEZ-UHFFFAOYSA-N 303.764 3.941 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 8959135 YOQDBEXJZWANRP-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB CCC(CC)C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 9419814 FTLIIDKRAZGZFS-UHFFFAOYSA-N 313.401 3.990 0 40 DHAB CCC[C@H](NC(=O)c1cc(C2CC2)nn1C)c1cccs1 12200041 PWJQHAMDPDJELI-LBPRGKRZSA-N 303.431 3.630 0 40 DHAB CCOc1ccccc1C1=N/C(=C\c2ccccc2F)C(=O)O1 12619491 STYFSKCYKNAZET-PTNGSMBKSA-N 311.312 3.569 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccn(-c3ccccc3)n2)c1C 12737126 XHXHYVAOJQOLNR-UHFFFAOYSA-N 321.380 3.507 0 40 DHAB CCC[C@H](C(=O)c1ccc(Br)cc1)N1CCCC1 13682045 RAHKQMUBMIJUFG-CQSZACIVSA-N 310.235 3.896 0 40 DHAB in-vivo Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 13938131 NKLFRUUFDMKXGZ-LBPRGKRZSA-N 309.818 3.688 0 40 DHAB Cc1ccsc1CN(Cc1cccc(F)c1F)C[C@H](C)O 13991643 HCLHKZCODNLRSG-LBPRGKRZSA-N 311.397 3.718 0 40 DHAB Clc1ccc(Cn2cnc3cc4c(cc32)OCCCO4)cc1 14000690 NEMPZKDFPYFAGR-UHFFFAOYSA-N 314.772 3.899 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)c1cn(C)c2ccccc12 14796119 JVVIKLDPSQTSEB-HNNXBMFYSA-N 306.409 3.929 0 40 DHAB Nc1c(Cl)cc(NC(=O)c2n[nH]c3ccccc23)cc1Cl 16490212 SECGWISRWQYOER-UHFFFAOYSA-N 321.167 3.704 0 40 DHAB Cc1ccc(-c2c[n+](CCc3ccccc3)c3n2CCC3)cc1 17207955 SEHMUYJZWUIGPG-UHFFFAOYSA-N 303.429 3.940 0 40 DHAB c1cnc2c(CSc3nnnn3C3CCCC3)cccc2c1 29902862 UHHAFRXUBXWCOO-UHFFFAOYSA-N 311.414 3.629 0 40 DHAB Cc1nc2ccc(C(=O)N[C@@H]3CCCc4occc43)cc2nc1C 32771127 PGFOROLFXJBVJL-OAHLLOKOSA-N 321.380 3.647 0 40 DHAB CNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 32903298 DMVXURNBFRONEO-UHFFFAOYSA-N 323.396 3.569 0 40 DHAB CCn1c(SCC(=O)c2ccc(C)cc2)nc2cccnc21 35289502 BXODKTXTZHJFAN-UHFFFAOYSA-N 311.410 3.735 0 40 DHAB O=C(OCC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 35714590 PDFVNWLENCWPLU-UHFFFAOYSA-N 301.386 3.772 0 40 DHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2ccc(Cl)cc2)n1 36612174 JAGDAFRUVBMKSS-NSHDSACASA-N 320.824 3.611 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)cc1C 40095466 LLHNPHJYVPOPND-INIZCTEOSA-N 318.804 3.812 0 40 DHAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 42850574 CNJGBJAHYIHHNP-DGCLKSJQSA-N 303.299 3.606 0 40 DHAB CC(C)CC[C@H](C)NC(=O)Nc1cccc(NC(=O)C2CC2)c1 44103397 RYRLAORRVDIOMY-ZDUSSCGKSA-N 317.433 3.981 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)c(F)c1 44880745 FUXNSHUUJJIPJR-INIZCTEOSA-N 321.323 3.770 0 40 DHAB CC(C)c1nnc2sc(-c3ccc4ncsc4c3)nn12 44903098 UNHHMQDNORVINN-UHFFFAOYSA-N 301.400 3.586 0 40 DHAB Nc1cccc(Cl)c1NC(=O)COc1ccc(Cl)cc1 50352492 RJPQJRJEZRIZFS-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB CCOCc1ccccc1NC(=O)NCc1ccc(F)cc1 52468738 BTRLBMYWPMGLAO-UHFFFAOYSA-N 302.349 3.684 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1n[nH]c2ccccc12 52567499 SZUCVMUBPQCUAU-CQSZACIVSA-N 311.410 3.774 0 40 DHAB C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 58160750 GWKFRPFDMSUKOX-DNVCBOLYSA-N 320.436 3.631 0 40 DHAB COC[C@@H](C)c1nc(-c2cccc(N3CCCC3=O)c2)cs1 58291689 PBMLRYVKIAHQCX-GFCCVEGCSA-N 316.426 3.687 0 40 DHAB Clc1ccc2cccnc2c1CN1CCCN(C2CC2)CC1 58391428 KBLJDVFELCTRQW-UHFFFAOYSA-N 315.848 3.558 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)Cc1ccccc1Cl 65720287 BCYPKWXSEAUJIL-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB C[C@H]1C[C@@H]1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 71185109 UXVDTLNJHNRNOZ-GUYCJALGSA-N 323.396 3.603 0 40 DHAB CCSCCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 72304850 GJHWIMNYVZVZAT-OAHLLOKOSA-N 307.459 3.738 0 40 DHAB CCCN(C(=O)CCc1cc(OC)cc(OC)c1)C(C)(C)C 75110136 NZCUONDEQXUIIC-UHFFFAOYSA-N 307.434 3.674 0 40 DHAB CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(COC)c2)C1 76067684 CLASNBSSHOXEGP-HOTGVXAUSA-N 307.459 3.579 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCC[C@@H](O)c1cccs1 77113867 HNASLULXEYYARG-HSBSLETESA-N 321.829 3.655 0 40 DHAB C[C@H](CC(=O)OC[C@H]1CCN(c2ccccc2)C1)c1ccncc1 84636941 ZNUKDJIGJOKJGA-SJORKVTESA-N 324.424 3.645 0 40 DHAB CC(C)n1nccc1C(=O)N1CCCc2cccc(Cl)c21 89893837 NNZVDXJUNWCWAM-UHFFFAOYSA-N 303.793 3.710 0 40 DHAB CC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1c(C)noc1C 90887425 FZUXCABVHGZIBJ-HZMBPMFUSA-N 302.374 3.822 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CC[C@H]1c1ccccc1 95956445 WQXJQLWFTUOBOF-AWEZNQCLSA-N 304.777 3.543 0 40 DHAB Cc1c(O)cccc1C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 95979034 WGFINHDFYIKBFC-VOJFVSQTSA-N 313.372 3.893 0 40 DHAB CC(C)C[C@H]1C[C@H](NC(=O)c2cc3cccc(F)c3o2)CCO1 95991265 YUOOUCXBJFPOJZ-KGLIPLIRSA-N 319.376 3.895 0 40 DHAB CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C(C)(C)O1 95993886 ALUPKYBXLPMEJV-DYEKYZERSA-N 323.383 3.531 0 40 DHAB COC[C@@H]1COCCC12CCN(Cc1cccc(Cl)c1)CC2 96106318 WYBABUBKWPQQPD-MRXNPFEDSA-N 323.864 3.605 0 40 DHAB CCc1sc(-c2cnccn2)nc1-c1ccc(NC(C)=O)cc1 96452415 JLMWUHQNDRKVQX-UHFFFAOYSA-N 324.409 3.788 0 40 DHAB CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cc(C)on1)CCC2 96476079 FCOBTHNAUHTFHS-NSHDSACASA-N 320.418 3.543 0 40 DHAB CS[C@@H]1CCC[C@H]1N(C)Cc1nnc(-c2ccc(F)cc2)o1 107065455 XNEZBDIKGHCAEN-ZIAGYGMSSA-N 321.421 3.592 0 40 DHAB C[C@H](NC(=O)CCOc1cccc(F)c1)[C@H]1C[C@H]2CC[C@H]1C2 109020277 AZHVRIOMKOWTRK-AYMQEEERSA-N 305.393 3.536 0 40 DHAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccco1 187087191 DTESCOFXJBIZAU-XHDPSFHLSA-N 305.761 3.535 0 40 DHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)s1 222813863 SHGAWPDJKNDGGW-LSDHHAIUSA-N 317.483 3.832 0 40 DHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)s1 222858628 WNKYFAUPMAKSKT-GJZGRUSLSA-N 317.483 3.834 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COC 224685325 ZWDQLZXHJXBFES-UHFFFAOYSA-N 321.323 3.762 0 40 DHAB CCN(CCCNC(=O)c1ccc(C)cc1C)c1ccccc1 225058358 KQTPAAKINTUUIM-UHFFFAOYSA-N 310.441 3.950 0 40 DHAB C[C@H]1C[C@H](Nc2ccc(Cl)c(C[S@@](C)=O)c2)C[C@@H](C)O1 253370497 RNAQNLBDYQERLH-WPPITAGKSA-N 315.866 3.586 0 40 DHAB Cc1ccc(C(=O)N2CCC(C)(c3nccs3)CC2)s1 257230685 GDLGALSORXAGPY-UHFFFAOYSA-N 306.456 3.707 0 40 DHAB CC(C)N1CCC[C@@H](c2cnc(-c3cnn(C(C)C)c3)cn2)C1 257301463 RYNMPNBGXGANIC-OAHLLOKOSA-N 313.449 3.509 0 40 DHAB c1csc(-c2n[nH]cc2CN2CCCC[C@@H]2c2ccn[nH]2)c1 257331915 XUVKNDBLLZBZJW-CQSZACIVSA-N 313.430 3.589 0 40 DHAB CC(C)[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 260897713 KNIMVCDNUSUQTQ-HOCLYGCPSA-N 322.880 3.713 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1scnc1C 331819188 XNHBYEDJGOFWAB-ZDUSSCGKSA-N 316.426 3.909 0 40 DHAB O=C(C1CC1)N1CCCCCCCCNCc2ccccc21 643587732 MHFJUUDNIHEZHM-UHFFFAOYSA-N 300.446 3.873 0 40 DHAB NC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 382745 BUUUXVFCGLPSSS-UHFFFAOYSA-N 316.360 3.705 0 40 DHAB CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3C)coc2c1 519242 JROWTDOLUYEDJR-UHFFFAOYSA-N 310.305 3.819 0 40 DHAB O=C(CN1CCCCC1)Nc1ccc(OCc2ccccc2)cc1 521042 YNKSSMDMOLRMJS-UHFFFAOYSA-N 324.424 3.690 0 40 DHAB Cc1nc(SCc2ccc(C(=O)O)cc2)nc2ccccc12 531551 OUSMPIGCTMXTHE-UHFFFAOYSA-N 310.378 3.929 0 40 DHAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1O[C@H](C)CC 1012924 LPQQVNKVHYOADV-GMROUXNLSA-N 321.398 3.587 0 40 DHAB COc1ccsc1C(=O)Nc1ccccc1Br 1397024 VYKATOUSZAZWIJ-UHFFFAOYSA-N 312.188 3.772 0 40 DHAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 1509355 UQMJWIWOFILZGP-JTQLQIEISA-N 314.410 3.723 0 40 DHAB Cc1cccc(N2C(=O)S[C@@H](Nc3cccc(F)c3)C2=O)c1 2412501 MRAZXIIOWAYHNV-CQSZACIVSA-N 316.357 3.772 0 40 DHAB CCCCCn1c(CCNC(=O)CCC)nc2ccccc21 2601767 MYAUCOPAGYSTDP-UHFFFAOYSA-N 301.434 3.685 0 40 DHAB O=C(COc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 3514962 LFLPYMKONKAERG-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB Clc1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1 4511689 YKOMSFJFDMSZSC-UHFFFAOYSA-N 313.773 3.568 0 40 DHAB Fc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1 4511847 ILYUQLVMJQLYFH-UHFFFAOYSA-N 302.359 3.720 0 40 DHAB Cc1c(Cl)cc(Br)c(O)c1Br 4592670 AFDYEFBVFSAVNQ-UHFFFAOYSA-N 300.377 3.879 0 40 DHAB Cc1cccc(CCNC(=O)c2ncoc2-c2cccs2)c1 5001949 SRBNAJKHODKZOM-UHFFFAOYSA-N 312.394 3.684 0 40 DHAB Cc1ccc(C(=O)OCCCC(=O)c2ccc(F)cc2)c(O)c1 5226631 CVDUJWRMCJKSPU-UHFFFAOYSA-N 316.328 3.660 0 40 DHAB COc1cccc(/C=C(\CC(=O)O)c2nc3ccccc3o2)c1 5269471 VWYCKNBZTZIJTO-UKTHLTGXSA-N 309.321 3.852 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Br)o1 5442916 QAJLKQCNLJNMNC-LBPRGKRZSA-N 320.186 3.850 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)cc(C)c1 5632761 XDRQKPAFNBFSLF-UHFFFAOYSA-N 312.369 3.523 0 40 DHAB O=C(CCc1nc2ccccc2s1)N1CCc2ccccc2C1 5937594 MLNIRTPUFUAQQE-UHFFFAOYSA-N 322.433 3.814 0 40 DHAB COC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 6153774 KYYCYTWCPSEOTB-UHFFFAOYSA-N 323.270 3.744 0 40 DHAB CCCOc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 7366822 DAVMSJRZDCENAN-UHFFFAOYSA-N 314.410 3.602 0 40 DHAB Cc1cc(CSc2nnc(C3CC3)n2-c2ccccc2)on1 9468310 CHGSTSMIQNKSPV-UHFFFAOYSA-N 312.398 3.733 0 40 DHAB Cc1ccc(-c2ccnc3[nH]n(-c4cccc(C)c4)c(=O)c23)cc1 10157172 QZQZOFRDVMKVTB-UHFFFAOYSA-N 315.376 3.998 0 40 DHAB Cc1c(C(=O)c2ccc3c(c2)CCC(=O)N3)oc2ccc(F)cc12 11158707 JWNQDLOKAJPOEX-UHFFFAOYSA-N 323.323 3.996 0 40 DHAB CCc1nc2ccccc2n1C[C@H](O)COc1cc(C)ccc1C 12602777 SCJMXLHRYOCAAS-INIZCTEOSA-N 324.424 3.655 0 40 DHAB O=C(CCc1ccccc1F)Nc1cc2c(cc1Cl)OCO2 12756424 VVZFMKHJCLMADT-UHFFFAOYSA-N 321.735 3.779 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1C 13582341 QMWIKGCALWKPAV-UHFFFAOYSA-N 315.369 3.663 0 40 DHAB c1csc(Cc2nn3c(-c4cccs4)nnc3s2)c1 13692379 LWBIJZHSLAAQNN-UHFFFAOYSA-N 304.425 3.567 0 40 DHAB COc1ccc(OC)c(NC(=O)/C=C/c2sccc2C)c1 14070689 MDSXEPZWBZNKIC-VOTSOKGWSA-N 303.383 3.726 0 40 DHAB Fc1ccc(-c2[nH]nc3c2CN(Cc2ccccc2)CC3)cc1 19372297 HXLUKBAZQVQNRK-UHFFFAOYSA-N 307.372 3.774 0 40 DHAB CCOc1ccc2ccccc2c1CNCCN(CC)CC 19691223 QDBDEIAZCYEWEO-UHFFFAOYSA-N 300.446 3.670 0 40 DHAB O=C(Cc1cccc2ccccc12)NCCOc1ccc(F)cc1 23142423 XFHMDDQKGLMALS-UHFFFAOYSA-N 323.367 3.717 0 40 DHAB Cc1cc(CN(C)C(=O)c2ccc3c(c2)Cc2ccccc2-3)no1 25139166 GAOJXCDMCGUVEG-UHFFFAOYSA-N 318.376 3.826 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(Br)c[nH]1 25615304 MPJGKUJJOQRYGA-SNVBAGLBSA-N 307.191 3.610 0 40 DHAB CC(C)c1nc2cc(N[C@H](C(N)=O)c3ccccc3)ccc2o1 27044968 KMVQBTCTWIALRK-INIZCTEOSA-N 309.369 3.590 0 40 DHAB Cc1cccc2nc(C(=O)N3CCC(c4ccccc4)CC3)cn12 32366778 WKYCUZKRJXFVPT-UHFFFAOYSA-N 319.408 3.663 0 40 DHAB CCc1cccc(NC(=O)CCCc2nc(C(C)C)no2)c1 40515698 YZWPETPIOUJEQA-UHFFFAOYSA-N 301.390 3.717 0 40 DHAB COC(=O)c1ccc(Nc2cccc(Nc3ccccc3)c2)nn1 48250163 UPWTULCTTUNGIO-UHFFFAOYSA-N 320.352 3.750 0 40 DHAB CC(=O)Nc1cc(NC(=O)NC2CCC(C)CC2)ccc1C 48370778 JYBIFIHPQNCOOX-UHFFFAOYSA-N 303.406 3.654 0 40 DHAB Cc1ccc(-c2ncc(C(=O)O)c(Nc3ccccc3)n2)cc1 49469627 VKSYSMHKBHUOAJ-UHFFFAOYSA-N 305.337 3.894 0 40 DHAB Cc1ccnn1-c1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1 53082357 MWTYPKNGGUXLIR-IBGZPJMESA-N 317.392 3.768 0 40 DHAB O=C(CCc1ccccc1O)N[C@H]1CCc2cc(Cl)ccc21 55733923 RBASAPBKHFHYJJ-INIZCTEOSA-N 315.800 3.782 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(Br)c2)C1 58183222 HYZCVANQANGTCA-GHMZBOCLSA-N 311.223 3.959 0 40 DHAB C[C@@H](OCC1CC1)C(=O)Nc1ccc(-c2nccs2)cc1 58268537 ZDKKPHISXCMQMG-LLVKDONJSA-N 302.399 3.564 0 40 DHAB CN(C)[C@@H](CNC(=O)c1sccc1C1CC1)c1cccs1 65474862 HUINDHJFQBQSBO-ZDUSSCGKSA-N 320.483 3.720 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)CCOCc1ccccc1 69440997 ZOGQEZAXRGTSRT-UHFFFAOYSA-N 315.417 3.626 0 40 DHAB COc1c(C)cc(C)cc1-c1nccn1C[C@@H]1CCCOC1 71759297 UGKLUAAIJWJEKX-HNNXBMFYSA-N 300.402 3.602 0 40 DHAB Cc1ccc(N2CCC(c3nc(-c4ccccc4)no3)CC2)nc1 74117236 KCVPLEOIYKDGKT-UHFFFAOYSA-N 320.396 3.824 0 40 DHAB OC1=Nc2c(c(O)nn2C2CCCC2)[C@H](C(F)(F)F)SC1 79490267 ZKMXQPVZNRJUGP-SECBINFHSA-N 321.324 3.642 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1COC(F)(F)C(F)(F)F 91252508 AMNOHYCZUCGVFA-QMMMGPOBSA-N 319.270 3.558 0 40 DHAB CC(=O)Nc1ccccc1-c1cc(C(F)(F)F)cc(N(C)C)n1 91695519 YLIZOMMUYXIVLK-UHFFFAOYSA-N 323.318 3.792 0 40 DHAB Cc1cnccc1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 95981990 IGCMWEVHSFYVAP-GHMZBOCLSA-N 301.312 3.633 0 40 DHAB Cc1c(NC(=O)Nc2ccnn2C(C)C)cnn1-c1ccccc1 97140174 UPCXSJUESXENKY-UHFFFAOYSA-N 324.388 3.602 0 40 DHAB CC1(C)C[C@@H](NC(=O)Cc2ccc(F)cc2)c2ccccc2O1 121930760 MSBLWFCLDSJMPH-MRXNPFEDSA-N 313.372 3.787 0 40 DHAB C[C@@H](NC(=O)N[C@H](C1CCCC1)C(F)(F)F)c1cccnc1 127975016 DJHZIJJMSLELOZ-ZWNOBZJWSA-N 315.339 3.563 0 40 DHAB CN(CCc1cccc(Br)c1)C(=O)OC(C)(C)C 140097237 VWFMKQSNWIWILI-UHFFFAOYSA-N 314.223 3.859 0 40 DHAB Cc1nc2ccccc2c(NC(=O)c2cnccn2)c1C(C)C 191320949 PGOAHBXXILZONO-UHFFFAOYSA-N 306.369 3.709 0 40 DHAB Nc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)cc1 226304309 OODTWIIVYPEVAZ-UHFFFAOYSA-N 304.349 3.732 0 40 DHAB COc1ccc(NC(=O)CC(C)C)cc1-c1ccc(C(=O)O)o1 226352506 SXIWVOJDSPAIHK-UHFFFAOYSA-N 317.341 3.638 0 40 DHAB O=C(c1ccsc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 226799111 JNJGNXOOCMUMHT-ZDUSSCGKSA-N 312.350 3.926 0 40 DHAB Cc1cccc(OCC(=O)Nc2c(C)cc(N)cc2Cl)c1 227145092 NATFMFCYMBBKCL-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1ccc2cccc(SCC(=O)NCc3ccco3)c2n1 337900 AELNMYQLBYUTJO-UHFFFAOYSA-N 312.394 3.545 0 40 DHAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)N1CCCC1 419203 ADIOSTVEJXWFEI-UHFFFAOYSA-N 314.454 3.875 0 40 DHAB c1coc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)c1 521233 NQIRXYQGPKQLTR-UHFFFAOYSA-N 316.320 3.881 0 40 DHAB COc1cccc2[nH]c3c(N4C[C@@H](C)C[C@H](C)C4)ncnc3c12 540307 YKQDMPLPYCVTOB-RYUDHWBXSA-N 310.401 3.602 0 40 DHAB Cc1noc(C)c1COC(=O)c1cc2c(s1)CC[C@@H](C)C2 3451304 BNNWTIBVYXDWQE-SECBINFHSA-N 305.399 3.835 0 40 DHAB O=C(COc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 3606552 RAIYTDQUGRFQLS-KRWDZBQOSA-N 315.800 3.913 0 40 DHAB COc1ccc(CNC(=O)/C=C/c2nc3ccccc3s2)cc1 3613161 GJHYIXASUHUVCE-ZHACJKMWSA-N 324.405 3.635 0 40 DHAB COc1ccc2cc(C(=O)NCCOc3ccccc3)ccc2c1 4761229 FQWLHZTWKZKSBX-UHFFFAOYSA-N 321.376 3.657 0 40 DHAB O=C(Nc1nccs1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4831882 YGMASENZXLIZPO-NXEZZACHSA-N 313.209 3.669 0 40 DHAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(F)cc1 5642471 CJLIKPYVFMNATK-LLVKDONJSA-N 311.312 3.585 0 40 DHAB CNc1nnc(S[C@H](C)C(=O)c2cc(C)ccc2C)s1 7102141 DGVLOICABHEYIR-SNVBAGLBSA-N 307.444 3.560 0 40 DHAB COc1ccccc1N[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7115947 MNDILFFVCDJTTG-LBPRGKRZSA-N 314.385 3.526 0 40 DHAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)s1 7822049 DFNKFKRORSEEKE-UHFFFAOYSA-N 321.471 3.658 0 40 DHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)C)c1 8940002 YACYMFMTBVZLQF-UHFFFAOYSA-N 323.371 3.689 0 40 DHAB O=c1[nH]cnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 9379812 YBDIDSFBEUGCLT-UHFFFAOYSA-N 319.389 3.689 0 40 DHAB CC[C@H](C)c1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 9513357 HMPIGKWSMYOTHM-SCLBCKFNSA-N 324.432 3.842 0 40 DHAB CC(C)[C@H](CC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 12296850 JBSNRAYWNCVKRH-IRXDYDNUSA-N 303.446 3.890 0 40 DHAB biogenic Cc1ccccc1-c1noc(CN2c3ccccc3C[C@H]2C)n1 12526523 ZSMJVBVGINHYIK-CQSZACIVSA-N 305.381 3.996 0 40 DHAB COc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C)cc1F 12790879 ZFMDRZKMMTYRLS-HUBLWGQQSA-N 308.397 3.773 0 40 DHAB CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2)cc1 12982208 PRFCCADJJDMQKR-IBGZPJMESA-N 324.424 3.861 0 40 DHAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccccn1 12996982 GJSIVZUWYXWQDI-UHFFFAOYSA-N 321.405 3.946 0 40 DHAB COc1cccc(NC(=O)CCc2nc3ccccc3s2)c1 16030008 PDCRHUYNTOHWPE-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB C[C@H](N[C@@H]1CCCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 16046925 VUXXXWLASZHJPN-SUMWQHHRSA-N 319.408 3.651 0 40 DHAB O=C(NCCc1ccc(N2CCCC2)cc1)C1CCCCC1 16847183 GEIFCXZNMKBDGX-UHFFFAOYSA-N 300.446 3.526 0 40 DHAB COc1ccc([C@H](C)NC(=O)CCCOc2ccccc2)cc1 20105691 KMRZNRTUFFRAOV-HNNXBMFYSA-N 313.397 3.732 0 40 DHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1 30754895 FZBFTGNZUOOOBJ-HNNXBMFYSA-N 324.424 3.705 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)c1 32109882 OJFXQKVYFHRGRT-GXTWGEPZSA-N 305.418 3.648 0 40 DHAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 36635428 ZBZQXIYMYAOFMR-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB CCc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O 36635496 UPVLGXQXLHKHLT-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB CCOc1ccc(NC2CCN(CC(F)(F)F)CC2)cc1 37189374 CZMPSHIIGLJGNC-UHFFFAOYSA-N 302.340 3.524 0 40 DHAB in-vitro O=C(/C=C/c1ccccc1Br)NC(C1CC1)C1CC1 40040643 IWLCEQBRPRELAK-MDZDMXLPSA-N 320.230 3.767 0 40 DHAB Cc1ccc([C@H](C)NC(=O)c2csc(-c3ccco3)n2)o1 40052414 MDJXYPSSOKKLGM-JTQLQIEISA-N 302.355 3.796 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 40135197 RTBWVWHQKHKTTF-STQMWFEESA-N 303.450 3.634 0 40 DHAB CC(C)n1nccc1NC(=O)CCCOc1ccc(Cl)cc1 48362761 CZFDUXMCJPCLHC-UHFFFAOYSA-N 321.808 3.915 0 40 DHAB C[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1 48681204 BSUNDJGHAJTPRZ-CYBMUJFWSA-N 312.804 3.772 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)Cc2noc3ccccc23)o1 53194084 MFBDQRRCKNMPIS-IUODEOHRSA-N 324.380 3.745 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 56072087 RLYFHSNUALEEKF-UHFFFAOYSA-N 303.671 3.643 0 40 DHAB CN(Cc1cccnc1)C(=O)Nc1ccccc1C(F)(F)F 58283371 IISJQKQQULXEJE-UHFFFAOYSA-N 309.291 3.764 0 40 DHAB Cc1oc(C)c(C(=O)OCc2c(Cl)nc3sccn23)c1C 58404672 BXDZXXCCBSTBGC-UHFFFAOYSA-N 324.789 3.924 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1O 69532912 JCLKGGFMDKQSPP-ZDUSSCGKSA-N 309.365 3.901 0 40 DHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1Cc2ccccc2C1 72294253 ANZOOUSYQKWHPK-UHFFFAOYSA-N 304.353 3.624 0 40 DHAB Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc2[nH]ccc12 72404079 BVRCYFYDGMMCIS-UHFFFAOYSA-N 322.393 3.976 0 40 DHAB C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccc(-c2cccnc2)cc1 81018054 OUDCNALDOGUFNN-DNVCBOLYSA-N 324.424 3.885 0 40 DHAB O=C(O)c1ccc(-c2cc(Br)ccc2Cl)nc1 95096586 VPMFDVSLUOODTL-UHFFFAOYSA-N 312.550 3.863 0 40 DHAB Cc1ncsc1CN(C)C(=O)[C@@H]1SCCc2sccc21 95403529 POYOYRJYDPYZCF-CYBMUJFWSA-N 324.496 3.502 0 40 DHAB O=C(N1CCC[C@@H](c2ncc[nH]2)C1)C1(Cc2ccccc2)CCC1 95411723 DKYXWYNRQADHKH-QGZVFWFLSA-N 323.440 3.529 0 40 DHAB C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccon1 95462260 XVKFKHNXDRCHKL-ZETCQYMHSA-N 300.145 3.864 0 40 DHAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1cc2ccccc2o1 96019563 ZYLHCQILVNQUMT-XNTDXEJSSA-N 307.280 3.916 0 40 DHAB C[C@H]1C[C@H]2CN(C(=O)c3ccc(F)c4ccccc34)CC[C@@H]2O1 96045966 IPCUORGAAQDZFD-LXIYXOSZSA-N 313.372 3.618 0 40 DHAB O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cccs1 96417234 HIONRNKNEGPHFV-LBPRGKRZSA-N 320.389 3.730 0 40 DHAB CC(C)=C(F)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 96487611 DXBOJNWKHYBEJR-UHFFFAOYSA-N 311.357 3.694 0 40 DHAB COCCC1(C(=O)N2C[C@@H](c3ccsc3)C[C@H]2C)CCC1 97015015 XMFKNXIZECNSLS-HIFRSBDPSA-N 307.459 3.659 0 40 DHAB CCC[C@H]1SCCN1C(=O)c1cnc(-c2cccnc2)s1 97230113 MUSCZVQLCMYEPQ-CYBMUJFWSA-N 319.455 3.520 0 40 DHAB CN1[C@H]2CC[C@H]1CC(OC(=O)C1(c3ccccc3)CCCC1)C2 100119113 WQIVCNLLAVUHIE-IRXDYDNUSA-N 313.441 3.667 0 40 DHAB C[C@@H](NC(=S)NCCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102837458 VZCDYBHTQQUKMM-BSWAZPDLSA-N 302.487 3.518 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC[C@@H](C)C1 225425562 JBVPPLOBVBCMRB-DNVCBOLYSA-N 315.457 3.981 0 40 DHAB CCCOC(=O)c1ccc(Nc2ccc(OC)cc2)c(N)c1 225430464 LMBOMLOMHZGGGT-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB COc1ccc(NC(=O)C(C)(C)Br)c2ccccc12 225787084 SMTLTXMQMTWUQN-UHFFFAOYSA-N 322.202 3.960 0 40 DHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@]2(C)O 257346151 SLGYIGUMKJYZLP-SSCLMBNUSA-N 318.457 3.528 0 40 DHAB C[C@H]1C[C@H](OC(=O)CCSc2ccccc2)c2nccn21 585136167 UNOWNAGWGPVRKM-JSGCOSHPSA-N 302.399 3.615 0 40 DHAB Cc1c(CNc2cccc3oc(C(F)(F)F)nc23)cnn1C 585139151 SFSFQYYSFKIFDG-UHFFFAOYSA-N 310.279 3.501 0 40 DHAB Cc1cnc(N2CCC(c3ccc4cccnc4n3)CC2)s1 656214886 KAPSBNLWUVZLNN-UHFFFAOYSA-N 310.426 3.779 0 40 DHAB CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C2CCCCC2)C1 242210 YOPWMAIAVUXGGQ-KRWDZBQOSA-N 320.820 3.831 0 40 DHAB Brc1ccc(NCn2cnc3ccccc32)cc1 362036 QUDGAIYAMBEEHZ-UHFFFAOYSA-N 302.175 3.868 0 40 DHAB COc1ccc(-c2cnc(NCc3ccc(F)cc3)n2C)cc1 819114 IHZLLEAWRAXWOZ-UHFFFAOYSA-N 311.360 3.847 0 40 DHAB CCN(CC)CCCNc1ncc(C)c2[nH]c3ccncc3c12 1618132 CQXVVSCTWVUGNF-UHFFFAOYSA-N 311.433 3.563 0 40 DHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cccc(Cl)c1 1960539 VCFGIWVFRYKKMF-MDZDMXLPSA-N 315.756 3.535 0 40 DHAB Cc1ccccc1Cc1nnc2sc(-c3ccc(F)cc3)nn12 2183290 NUXQRYVHIVQWJS-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB Cc1cc(NC(=O)COc2cccc(Oc3ccccc3)c2)no1 3236291 YBZYVECRCAZMIL-UHFFFAOYSA-N 324.336 3.793 0 40 DHAB CC(C)(C)C(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3311969 QORFFWXFBKQSBJ-UHFFFAOYSA-N 303.185 3.694 0 40 DHAB O=C(Cc1cccs1)NCC1(N2CCCCC2)CCCCC1 3345896 GLWGNDXNLRPKJA-UHFFFAOYSA-N 320.502 3.596 0 40 DHAB Cc1sc2ncnc(NC[C@H](c3ccco3)N(C)C)c2c1C 3410500 MQYLLBWQSGCGOM-GFCCVEGCSA-N 316.430 3.616 0 40 DHAB COc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1 3422936 OAFVIOZJPGNXAH-UHFFFAOYSA-N 317.410 3.975 0 40 DHAB COC(=O)c1cccc(COC(=O)c2cc3ccccc3o2)c1 4332641 RHJWXRXNMVIYKX-UHFFFAOYSA-N 310.305 3.576 0 40 DHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3o2)[C@@H]1C 5034375 IXSIDIMNOWZTKU-JHJVBQTASA-N 318.442 3.861 0 40 DHAB O=C1c2ccccc2[C@@]2(c3ccccc3)C=NN[C@@]12c1ccccc1 5052007 CNUBOASBXXWUIX-VXKWHMMOSA-N 324.383 3.654 0 40 DHAB Cc1cccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c1 5865432 GEBRMUVRKPZFGJ-UHFFFAOYSA-N 324.207 3.997 0 40 DHAB Cc1ccc(S(=O)(=O)c2[nH]c(=S)sc2Cl)cc1 6667081 IVFFVKFOWQYYJK-UHFFFAOYSA-N 305.833 3.600 0 40 DHAB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NC2CCCC2)cc1 6966512 PBDZSMYZGSDEKZ-SSZFMOIBSA-N 319.408 3.752 0 40 DHAB CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886076 FYWCACUGQZJOGJ-GOSISDBHSA-N 308.381 3.814 0 40 DHAB CSc1nc(C)c(CCC(=O)Nc2cccc(C)c2)c(C)n1 7914716 LKXIJOXBJDIAPH-UHFFFAOYSA-N 315.442 3.695 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2C)cc1C 8132576 NAMOKEHFJYRWCO-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB C[C@H](c1ccc(F)cc1)N1C(=O)NC2(CCCCCC2)C1=O 8328148 RPQOZACJPYWHER-GFCCVEGCSA-N 304.365 3.532 0 40 DHAB Cn1ccnc1[C@H](Nc1ncnc2ccsc12)c1ccccc1 8705078 CNBBPLQRYJUDTE-CQSZACIVSA-N 321.409 3.626 0 40 DHAB Cc1ccc(N2NC3(CCCCCCC3)NC2=S)cc1C 9187880 VZCNQKUDJHNMLC-UHFFFAOYSA-N 303.475 3.943 0 40 DHAB CC[C@H](C)[C@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1 9954941 KZWNJZNYNHCURL-GUYCJALGSA-N 310.397 3.554 0 40 DHAB Cc1nc2ccccc2nc1COC(=O)CCc1ccc(F)cc1 12812159 VFXTZXKIAXDNKY-UHFFFAOYSA-N 324.355 3.753 0 40 DHAB COC(=O)c1cc(NC(=O)CCC2CCCC2)c(F)cc1F 13006646 YBZPZOWSFBFXBE-UHFFFAOYSA-N 311.328 3.660 0 40 DHAB COc1ccc(-n2c(-c3ccc(F)cc3)cnc2S)cc1 13998754 ZAXHNKJPLSNYDZ-UHFFFAOYSA-N 300.358 3.976 0 40 DHAB COc1ccc2cc3c(nc2c1)N(C(=O)c1ccccc1F)CC3 15842119 FFPKRJIPCSLSON-UHFFFAOYSA-N 322.339 3.585 0 40 DHAB Cc1cc2c(C)ccc(C)c2nc1SCCN1CCOCC1 20151159 XOIYBOXMAWCILN-UHFFFAOYSA-N 316.470 3.584 0 40 DHAB O=C(NCCOc1ccc(Cl)cc1)c1cccc(Cl)c1 21904419 ARJOIZCHJINPLQ-UHFFFAOYSA-N 310.180 3.802 0 40 DHAB Cc1ccc([C@H](C)NC(=O)COc2cccc(F)c2)cc1C 21999107 USTNATBSBRNAIU-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB CC(C)NC(=O)Nc1cccc(NC(=O)c2ccsc2)c1 24545312 YGQOFZXSQGDQOZ-UHFFFAOYSA-N 303.387 3.530 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ncccc1C 27975734 SBVBSTKCGKSARM-QGZVFWFLSA-N 310.397 3.675 0 40 DHAB COc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccco3)o2)cc1 30276446 JPRLXLPDZCBBLT-GFCCVEGCSA-N 313.357 3.531 0 40 DHAB CCC(=O)Nc1ccc([C@@H](C)NCc2ccccc2OC)cc1 30640512 OFFDHANEDAOFAV-CQSZACIVSA-N 312.413 3.895 0 40 DHAB C[C@@H](NC(=O)C(C)(C)C)c1ccc(OCc2cccnc2)cc1 32924678 WVRSWSCBJPSQSW-CQSZACIVSA-N 312.413 3.884 0 40 DHAB CCOc1ccc(N/C=C2\SC(=O)N(CC(C)C)C2=O)cc1 36636224 PPYOYWSFQABCEB-ZROIWOOFSA-N 320.414 3.690 0 40 DHAB O=C(/C=C/c1ccco1)NCc1ccnc(Oc2ccccc2)c1 40106864 WISDQOJYCJBZLD-CMDGGOBGSA-N 320.348 3.797 0 40 DHAB CC[C@@H](C)c1ccc(OC[C@@H]2CCNC2)c(Br)c1 42770394 VNQGNGYCEHFOAQ-VXGBXAGGSA-N 312.251 3.951 0 40 DHAB O=C(Nc1nccs1)N1CCCCC[C@H]1c1ccncc1 45953499 HVBZTHCYQPKQGG-ZDUSSCGKSA-N 302.403 3.687 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)o1 48346820 BTYKPCQVESKOKG-IUODEOHRSA-N 311.385 3.995 0 40 DHAB CN(Cc1cccnc1)C(=O)c1cc2c(s1)CCCCC2 49945447 NBCSMIZACZXWPM-UHFFFAOYSA-N 300.427 3.684 0 40 DHAB CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 51315546 LVVQKWQHYDBMOT-UHFFFAOYSA-N 321.380 3.900 0 40 DHAB Cc1noc(Cl)c1CCC(=O)NC1(c2ccccc2)CCC1 51418465 QXWKBXHYXLEGFQ-UHFFFAOYSA-N 318.804 3.765 0 40 DHAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cccnc2)cc1 53720502 FNKBFXZVBDRAJY-OAHLLOKOSA-N 309.413 3.708 0 40 DHAB CCN(CC)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 54564145 GUNJONMAKHEAJF-UHFFFAOYSA-N 306.793 3.796 0 40 DHAB O=c1ccc(-c2ccccc2)nn1Cc1cccc2cccnc12 54658481 TWHKZSRZJLJHIK-UHFFFAOYSA-N 313.360 3.507 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N(C)C)nc1 55080102 YXTUMSGAQBZLGF-UHFFFAOYSA-N 324.837 3.526 0 40 DHAB CCOc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 57897322 FTRUKHHQRQPJNB-SOUVJXGZSA-N 304.434 3.675 0 40 DHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(C)s1 58201453 AKWWVZPFGBCYMA-UHFFFAOYSA-N 310.325 3.545 0 40 DHAB O=C(Nc1cn[nH]c1)N1CCC[C@H]1c1ccccc1C(F)(F)F 69570653 NXFXJQKLTMMBJA-ZDUSSCGKSA-N 324.306 3.798 0 40 DHAB O=C(Nc1c(F)cccc1Oc1ccccc1)[C@H]1CCCO1 71884428 VXSWGCHFCIVYIY-OAHLLOKOSA-N 301.317 3.736 0 40 DHAB O=c1cc(CSc2cccc(Cl)c2)nc2ccccn12 72076933 BEUCSCHZASCEMG-UHFFFAOYSA-N 302.786 3.640 0 40 DHAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccc2)n1 72378668 RYMWCKNZBJALRO-IBGZPJMESA-N 318.424 3.913 0 40 DHAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](C(F)(F)F)C1 72406240 HAUYTLLTKKQDRX-VIFPVBQESA-N 301.293 3.631 0 40 DHAB O=C(NCCc1ccccc1)c1ccc(Oc2nccs2)cc1 77890153 WQQRQVKDDDCJHX-UHFFFAOYSA-N 324.405 3.908 0 40 DHAB Cc1nc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)cs1 78877266 NAPPFTKHCNYVKU-UHFFFAOYSA-N 321.833 3.592 0 40 DHAB C[C@H](NC(=O)N(C)Cc1ccccc1)c1csc(C2CC2)n1 79036653 LYJZFVNUAWYVOT-LBPRGKRZSA-N 315.442 3.923 0 40 DHAB CC1(C)[C@@H](OC(=O)c2nccc3ccccc23)[C@@H]2CCCO[C@H]21 84668209 KSPSFWLBFAAXQS-OIISXLGYSA-N 311.381 3.595 0 40 DHAB CCc1cnc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)C(C)C)s1 86428809 WICNICMXXIERSK-VXGBXAGGSA-N 309.479 3.985 0 40 DHAB Nc1ncc(-c2nc(-c3ccc(Cl)cc3Cl)no2)s1 89263054 JGMRVEBOCKOXBS-UHFFFAOYSA-N 313.169 3.749 0 40 DHAB CC1(C)Oc2ccc(NC(=O)c3scnc3C3CC3)cc2O1 89748730 MRKQRQPHCBKOMZ-UHFFFAOYSA-N 316.382 3.780 0 40 DHAB CCCOc1cc(F)ccc1NC(=O)NCc1nc(C)c(C)o1 89960271 DQVSTSJIDJWQJR-UHFFFAOYSA-N 321.352 3.541 0 40 DHAB COc1ccc(NC(=O)[C@H](C)N[C@H](C)C2CCCCC2)cc1 95404425 KBXOZDKGSSXJRM-KGLIPLIRSA-N 304.434 3.581 0 40 DHAB O=C(c1cccc(NCc2ccsc2)c1)N1CCSCC1 95428861 RHAQSPOHPLOWDK-UHFFFAOYSA-N 318.467 3.549 0 40 DHAB Cc1ncc(Cl)c(C(=O)O[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)n1 95961415 VQYBXKRGCIRWHA-UKKREREHSA-N 308.809 3.666 0 40 DHAB CS[C@@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 206690450 QJYOBKJVNBMVPA-LLVKDONJSA-N 304.337 3.675 0 40 DHAB CCOc1ccccc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225104073 DZJNLUGVAGEWBH-INIZCTEOSA-N 320.772 3.813 0 40 DHAB Cc1ccc(CN(C)C(=O)C2(c3ccccc3)CCOCC2)cc1 225635667 TVTJTSRXCGPJHV-UHFFFAOYSA-N 323.436 3.702 0 40 DHAB COc1cccc2c(OCC(=O)Nc3ccccc3)cc(C)nc12 227149085 IEJNBTGDDURPCK-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@@]31C2 257230657 GDHUPCWXMSHQGF-GMKVZWAMSA-N 307.478 3.769 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1 408629834 IUDXWECLIHXDON-UHFFFAOYSA-N 305.399 3.583 0 40 DHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1Cc2cccnc2C1 585393096 XFNVTJCGBXMGSH-UHFFFAOYSA-N 320.314 3.575 0 40 DHAB CC(C)c1nccn1CC1CN(c2ccc(C(F)(F)F)cn2)C1 2087122867 FSDTXXWWZLWRFT-UHFFFAOYSA-N 324.350 3.557 0 40 DHAB COc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 354637 NSJCEBWUTMEBIZ-GDNBJRDFSA-N 313.740 3.693 0 40 DHAB COc1ccc(OCCCC(=O)NC2CCCCCC2)cc1 1778394 OXOPHOQNCMCZTJ-UHFFFAOYSA-N 305.418 3.693 0 40 DHAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 2583471 KJSGAMITXFBSOT-SNVBAGLBSA-N 320.172 3.644 0 40 DHAB O=C(CN(Cc1ccco1)Cc1cccs1)c1ccc[nH]1 3342610 UYNBLCIVAJGAHJ-UHFFFAOYSA-N 300.383 3.554 0 40 DHAB Cc1csc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)n1 3413770 AYNIMJPPZBZRFA-MRVPVSSYSA-N 313.835 3.619 0 40 DHAB CCCC[C@@H](CC)CNC(=O)CCCC(=O)Nc1ccccn1 4678224 ZSIOIYNVDUYEOG-OAHLLOKOSA-N 319.449 3.523 0 40 DHAB O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1ccccc1 5451967 OAWKPGUSQHJSQE-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB O=C1CCCC[C@@H]1Sc1nnc(NC2CCCCC2)s1 6077139 HWOJDHYJOWPGRY-LBPRGKRZSA-N 311.476 3.887 0 40 DHAB O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccccc1 6136737 XWVNJSZCNHYEPQ-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1OC 6246816 MCOITQGVBMEBFI-XBXARRHUSA-N 319.307 3.634 0 40 DHAB CCc1ccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)cc1 6283890 BSMOQIWPOJYZQI-UHFFFAOYSA-N 320.392 3.963 0 40 DHAB CCCCCNC(=S)Nc1ccc(Br)cc1 6597343 PJGMJYPERSVGKT-UHFFFAOYSA-N 301.253 3.926 0 40 DHAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Br)cc1 6694531 BCAYCAKGCLSLPM-UHFFFAOYSA-N 316.158 3.578 0 40 DHAB CC(=O)NCc1ccc(-c2csc(-c3ccccn3)n2)s1 7274329 RRCLNCAHQTWWJX-UHFFFAOYSA-N 315.423 3.570 0 40 DHAB COc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1 7583993 PUVOZFHMNAMHCI-LLVKDONJSA-N 304.390 3.882 0 40 DHAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)O 8186053 NQERIDYFTJNNGJ-UHFFFAOYSA-N 315.394 3.565 0 40 DHAB Cc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 10281601 WPXMXLQSKIXWHE-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB Cc1nc(/C=C/C(=O)Nc2ccccc2N2CCCC2)cs1 10643043 YSUCULMAUDFFFT-CMDGGOBGSA-N 313.426 3.704 0 40 DHAB CC(C)NC(=O)[C@H](C)Sc1nc(C2CC2)nc2ccccc12 10945619 RIHVUBCEDKNEEI-NSHDSACASA-N 315.442 3.512 0 40 DHAB Cc1c(C)n(C[C@@H](O)CN2CCCCC2)c2c(Cl)cccc12 12421920 WYTXGWVXLDPQKM-HNNXBMFYSA-N 320.864 3.758 0 40 DHAB CC[C@H](CO)Nc1nc(C)nc2scc(-c3ccccc3)c12 12817392 OTBQUVAHZXFUAJ-CYBMUJFWSA-N 313.426 3.850 0 40 DHAB CN(CCOc1ccc(C(F)(F)F)cc1N)c1ccccc1 14629468 FJJILHBGBCHJJB-UHFFFAOYSA-N 310.319 3.803 0 40 DHAB CN(CCOc1ccccc1)c1ncnc2c1oc1ccccc12 22342536 WPTPOOPISOPXBR-UHFFFAOYSA-N 319.364 3.891 0 40 DHAB O=S(=O)(Nc1cncc(Cl)c1)c1ccc2ccccc2c1 27934009 WBBOKVFTPGJSBQ-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)cs1 30448475 XHGRUACVVBFIHW-UHFFFAOYSA-N 320.373 3.606 0 40 DHAB CC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 30754505 ZXEVWDMBXFAXCP-HNNXBMFYSA-N 308.425 3.778 0 40 DHAB CCc1noc(-c2ccccc2NC(=O)c2cccc(C)c2)n1 33012685 JQZUUSGAFCMCOF-UHFFFAOYSA-N 307.353 3.860 0 40 DHAB CCCNC(=O)[C@H](C)N[C@H](c1ccccc1)c1ccc(C)cc1 36395706 XYCGMCBKDQUHGV-QFBILLFUSA-N 310.441 3.589 0 40 DHAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@]1(C)CC1(Cl)Cl 36397971 LRGKZCJIFFWLJI-NOZJJQNGSA-N 320.647 3.971 0 40 DHAB CCOc1ccccc1CNC(=O)c1ccccc1SC 38772456 LYPYFPOIUPEHSE-UHFFFAOYSA-N 301.411 3.737 0 40 DHAB O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1 44892582 JNUDMZPNXOZWBS-MRXNPFEDSA-N 307.353 3.667 0 40 DHAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)C 47477535 AHJJZXPGYQLASY-UHFFFAOYSA-N 322.817 3.664 0 40 DHAB Cc1cc(CSc2nnc(-c3c[nH]c4ccccc34)o2)on1 48231402 JDDSKMFEMOJTLZ-UHFFFAOYSA-N 312.354 3.807 0 40 DHAB C[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1cccnc1 48683251 ATAFJXXHHNPNRC-ZDUSSCGKSA-N 312.804 3.772 0 40 DHAB Cc1ccc(Oc2cccc(NC(=O)/C=C/c3ccco3)c2)nn1 49025875 YQUITTLYQOABQO-CMDGGOBGSA-N 321.336 3.822 0 40 DHAB Cn1c(SCc2cc(F)ccc2F)nc2ccsc2c1=O 53652602 XFZWNENXUWRJQB-UHFFFAOYSA-N 324.377 3.566 0 40 DHAB COc1ccc(CCC(=O)NC(C)(C)CC(C)(C)C)cc1OC 57156227 LWHMODSGYBQTDS-UHFFFAOYSA-N 321.461 3.967 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@@H]1c1ccco1 67022687 ZAGYOMZDWBISDL-QWRGUYRKSA-N 311.366 3.540 0 40 DHAB Cc1cc(O)nc(SCC(=O)c2ccc3ccccc3c2)n1 67350725 JLMARWSEXMGNDC-UHFFFAOYSA-N 310.378 3.619 0 40 DHAB CC(C)(C)Sc1ccc(NC(=O)N2CCC(CO)CC2)cc1 69626323 MLBVKEJRZCBDBW-UHFFFAOYSA-N 322.474 3.813 0 40 DHAB CC(C)CCc1noc(C2(c3cccc(F)c3)CCOCC2)n1 69974141 FCIBVISZLACKHD-UHFFFAOYSA-N 318.392 3.894 0 40 DHAB CCc1nc([C@H]2CCCN2Cc2nc3ccccc3s2)no1 72279358 SWQWYMKDLRGRDK-GFCCVEGCSA-N 314.414 3.579 0 40 DHAB CC[C@H](NC(=O)[C@H]1CC12CCOCC2)c1ccc(Cl)cc1 75093394 UYPXODCAMSFJIG-CABCVRRESA-N 307.821 3.724 0 40 DHAB CCc1cc(C)n(Cc2ccc(Br)cc2)c1C=O 78405225 NXZQJXOYZKBRFV-UHFFFAOYSA-N 306.203 3.982 0 40 DHAB COc1ccc(CCCC(=O)N2C[C@@H]3CC=CC[C@H]3C2)cc1F 84552622 LDGOMIWNQWPFTE-HOTGVXAUSA-N 317.404 3.582 0 40 DHAB c1ccc(CN2CCC3(CCN(Cc4ccccc4)C3)C2)cc1 85210643 WPXWNSDBRUCWKS-UHFFFAOYSA-N 306.453 3.785 0 40 DHAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(F)cc2)S1 85412347 OLQBUUDSNBYWNX-ZDUSSCGKSA-N 305.378 3.783 0 40 DHAB O=C(c1ccncc1Cl)N(CCC(F)(F)F)CC1CC1 89884875 DNYKNWFZOKJMPM-UHFFFAOYSA-N 306.715 3.540 0 40 DHAB CCC[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccn1 95350495 VKGZCXINBIXQPZ-IRXDYDNUSA-N 301.434 3.897 0 40 DHAB COc1cccc2cc([C@H](C)NC[C@](C)(O)c3ccco3)oc12 95987950 YJFMIKGXJIVNPK-SGTLLEGYSA-N 315.369 3.593 0 40 DHAB CC(C)(C)c1ncsc1C(=O)Nc1cc(C(=O)O)ccc1F 95989560 RFAAZUOXIPNKCE-UHFFFAOYSA-N 322.361 3.530 0 40 DHAB CC[C@@](CNC(=O)/C=C/c1ccsc1)(OC)c1ccccc1 96123732 GNPNQZKADJOYDW-BBVFFXRHSA-N 315.438 3.829 0 40 DHAB Cc1ccc2nc(C3CC3)cc(-c3nc([C@H]4CCOC4)no3)c2c1 96462743 KQWZDIBYWGARSZ-ZDUSSCGKSA-N 321.380 3.975 0 40 DHAB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)c1ccccc1C(=O)O 100135272 JQPMUVLMMAFMKZ-LSKLOWJMSA-N 302.370 3.756 0 40 DHAB in-vitro COc1cccc2c(N3CCC(n4ccnc4)CC3)c(C)cnc12 195576721 DXVHUUKSOLHHCX-UHFFFAOYSA-N 322.412 3.590 0 40 DHAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223244535 RRIHTLRAMPFCMA-OAHLLOKOSA-N 309.409 3.740 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1Cl 224116177 OPNNVPJOBUYPQG-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C)c1 224606909 VKLTVFBOVKJDEK-DLBZAZTESA-N 311.425 3.991 0 40 DHAB CCCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225883426 JBCAGBIYWGOMOW-GOSISDBHSA-N 322.449 3.959 0 40 DHAB COc1ccc(C(=O)N2CCc3sc(Cl)cc3C2)cc1 563176620 ULCFBKLXZWWLQM-UHFFFAOYSA-N 307.802 3.609 0 40 DHAB O=C(Nc1ccccc1NCCc1ccccc1)c1cnco1 1567442044 AZNDUIAPUQDCLA-UHFFFAOYSA-N 307.353 3.582 0 40 DHAB O=C(Nc1ccc(F)cc1)c1cc(Br)ccc1O 72076 YENVFLFGMBLPBX-UHFFFAOYSA-N 310.122 3.546 0 40 DHAB CCOC(=O)[C@@H](CC)Sc1ncnc2sc(C)c(C)c12 84937 KOZUMENWZGTFCI-SNVBAGLBSA-N 310.444 3.742 0 40 DHAB Clc1cc(N2CCCCCC2)nc(N2CCCCCC2)n1 87035 BPKIYVGDYHFEED-UHFFFAOYSA-N 308.857 3.891 0 40 DHAB Cc1ccc2nc(-c3ccc(O)cc3)c(NC[C@@H]3CCCO3)n2c1 417324 CTFVPRIWFNUXDY-INIZCTEOSA-N 323.396 3.606 0 40 DHAB COc1cccc([C@H]2CCCC[C@@H]2SCC(=O)O)c1OC 1592191 DHPFBNZORFLLJT-RISCZKNCSA-N 310.415 3.548 0 40 DHAB Cc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2N)cc1 2360993 GEPUVKCROLTAIV-VMPITWQZSA-N 322.437 3.773 0 40 DHAB CC(C)Cc1cc(C(=O)Nc2ccc(Br)cc2)no1 2465775 RCCUOFYPDIRSQK-UHFFFAOYSA-N 323.190 3.888 0 40 DHAB Fc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2788797 CHFPISXFORNKSV-UHFFFAOYSA-N 310.357 3.634 0 40 DHAB Cc1noc(C)c1COC(=O)c1ccc(Cl)c(Cl)c1 3318084 YSDVPPYKJWSELM-UHFFFAOYSA-N 300.141 3.955 0 40 DHAB O=C(OCc1ccc(Br)cc1)c1cccc(O)c1 3619188 RYJNQCCWVCTPEB-UHFFFAOYSA-N 307.143 3.512 0 40 DHAB CN[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4061451 LXUIGQVHABEBDW-LXTDMAHYSA-N 305.506 3.978 0 40 DHAB biogenic Cc1ccc(N(C)[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 4688422 RDOFVUZJSMGNOA-MRXNPFEDSA-N 312.394 3.657 0 40 DHAB O=C1C[C@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1ccc(Cl)c(Cl)c1 4837117 OMEDDFSSTSLOIY-LSYCYVAJSA-N 322.191 3.839 0 40 DHAB CC(C)(C)C(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 4998184 MAKGRCRKVZASJB-UHFFFAOYSA-N 315.417 3.696 0 40 DHAB CC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 6263624 GSVGUDMQCRIRNZ-UHFFFAOYSA-N 322.257 3.850 0 40 DHAB CCCCc1c(O)cc(-c2cccnc2)n(-c2ccccc2)c1=O 6666793 YRWOEWRMNWHWJY-UHFFFAOYSA-N 320.392 3.948 0 40 DHAB Cc1ccccc1CC(=O)Nc1nc(-c2ccccn2)cs1 7182616 BGVRSSAVKMHRKQ-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB COc1ccc(SCC(=O)Nc2cccc(C(C)=O)c2)cc1 7278031 CZIBOYFEWHFXKU-UHFFFAOYSA-N 315.394 3.629 0 40 DHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(F)cc1F 8320417 LSZBISJNCIXSDX-CQSZACIVSA-N 322.380 3.802 0 40 DHAB CCCC(=O)NC(=S)Nc1nc2c(C)cc(C)cc2s1 9140752 SPMGKTUXTWKSFH-UHFFFAOYSA-N 307.444 3.526 0 40 DHAB Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3)CC2)cc1 10409914 FVCYFPWLSBZVKQ-UHFFFAOYSA-N 323.440 3.735 0 40 DHAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cccs1 11913750 HBDXAVPHMZMXEK-UHFFFAOYSA-N 305.359 3.658 0 40 DHAB Cc1cc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)ncn1 12016769 QGHDZERVMOCCRH-NSHDSACASA-N 321.833 3.866 0 40 DHAB O=C1c2ccccc2C(=O)N1CCc1cccc2ccccc12 12360362 HTUONTRFUUUMDD-UHFFFAOYSA-N 301.345 3.679 0 40 DHAB CC(C)c1ccc(/C=C/C(=O)NCc2ccc(C(=O)O)cc2)cc1 13166343 NRZJNONVAGEPMO-KPKJPENVSA-N 323.392 3.838 0 40 DHAB COc1ccc(-c2cnc(S)n2-c2ccc(OC)cc2)cc1 13534170 VDSSUHQSYGTUAM-UHFFFAOYSA-N 312.394 3.845 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CCC2 15636486 BFDDOASAHRWITO-SECBINFHSA-N 322.817 3.691 0 40 DHAB Cc1ccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)cc1 15780315 MCOKISJFVUGJSO-UHFFFAOYSA-N 319.368 3.613 0 40 DHAB COc1ccc(-c2cc(Nc3ccc(O)cc3)nc(C)n2)cc1 15859143 LLQQVFIDXWVMFK-UHFFFAOYSA-N 307.353 3.910 0 40 DHAB CN(C)C(=O)Oc1ccc2c(Cc3ccccc3F)noc2c1 20718123 GAFADFLGZHXIPS-UHFFFAOYSA-N 314.316 3.618 0 40 DHAB O=C([C@@H]1Cc2ccccc2S1)N1CC[C@@H]2CCCC[C@@H]2C1 22241008 RZLYCJDLTRLGTB-LXZKKBNFSA-N 301.455 3.742 0 40 DHAB O=C(Nc1nc[nH]n1)c1sc2cc(Cl)ccc2c1Cl 26262306 DNSRAILEFKWQJN-UHFFFAOYSA-N 313.169 3.579 0 40 DHAB O=C(NCCCn1cccn1)c1ccc(C2CCCCC2)cc1 30170176 ZRAOXFQTAMRQKH-UHFFFAOYSA-N 311.429 3.751 0 40 DHAB CC1=C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)O 30882270 YXRPMXNNAQGWKU-JYJNAYRXSA-N 323.477 3.868 0 40 DHAB biogenic,in-vitro Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cn1 31393567 CFBKQFSMTSACMJ-HNNXBMFYSA-N 323.421 3.977 0 40 DHAB CC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 32652576 NEDSJGRHWQDGJH-UHFFFAOYSA-N 323.392 3.576 0 40 DHAB Cc1cc(F)ccc1C(=O)OCC(=O)c1ccc(Cl)cc1 33779004 IWPUZJZBIFXROZ-UHFFFAOYSA-N 306.720 3.827 0 40 DHAB C[C@H](CNC(=O)[C@@H](C)n1cnc2ccccc21)c1ccccc1 36260050 BDITURCYQDLMME-HUUCEWRRSA-N 307.397 3.517 0 40 DHAB CCN(CC)CCN(CC(C)C)C(=O)Nc1ccccc1F 36395579 HUKHGMSODZOBMZ-UHFFFAOYSA-N 309.429 3.657 0 40 DHAB COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1 37868658 ZWZZAIYNBYNOON-UHFFFAOYSA-N 311.263 3.753 0 40 DHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c(C)noc1C 40142595 IOKPVGYMNHRQLJ-ZDUSSCGKSA-N 302.374 3.636 0 40 DHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1c(C)noc1C 40142596 IOKPVGYMNHRQLJ-CYBMUJFWSA-N 302.374 3.636 0 40 DHAB COc1ccc2oc(=O)c(C(=O)Nc3cc(C)cc(C)c3)cc2c1 40949244 VVMICRKDDDBICH-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cccs1 47823633 UOANDEJQWFIQNG-JTQLQIEISA-N 315.847 3.783 0 40 DHAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)OCc1ccccc1 48806977 XIKMRTIAGOEYJH-UHFFFAOYSA-N 305.717 3.787 0 40 DHAB CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 59054967 NDFWMFRAUHLMJY-NSHDSACASA-N 303.337 3.933 0 40 DHAB Cc1cccc(C(=O)N2CCC(c3nc(C)cs3)CC2)c1 69771389 KFFZPDDNHQQHOO-UHFFFAOYSA-N 300.427 3.780 0 40 DHAB Cc1ccc(-c2noc(C[S@@](=O)CC3CCCCC3)n2)cc1 69847290 DWAHXLFWXJJFTK-JOCHJYFZSA-N 318.442 3.874 0 40 DHAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1oc2ccccc2c1C 72242545 YYGSCBMEODLJSP-MRXNPFEDSA-N 321.380 3.647 0 40 DHAB CC(C)(C)OC(=O)Nc1ncc(Br)cc1Cl 89228938 NXIQCITXMFEAOZ-UHFFFAOYSA-N 307.575 3.845 0 40 DHAB C[C@@H](CNC(=O)C1(Cc2ccccc2)CCC1)c1ccncc1 95411258 QQLPYNWHSGGNSU-INIZCTEOSA-N 308.425 3.714 0 40 DHAB Cc1nn(C)cc1CNCC(C)(C)c1ccc(F)cc1Cl 95975158 BEWAWDWWOOIQQR-UHFFFAOYSA-N 309.816 3.588 0 40 DHAB NC[C@H](NC(=O)OCc1ccccc1)c1ccc2ccccc2c1 96295489 ODGSWXASIYSMHB-IBGZPJMESA-N 320.392 3.766 0 40 DHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2c(C)noc2C)o1 96433148 BSURQAHRYSNBPC-BZNIZROVSA-N 316.401 3.735 0 40 DHAB C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Oc2ncccn2)cc1 96466365 KAMUVTIPNFEYKY-CHWSQXEVSA-N 312.373 3.674 0 40 DHAB Cc1cc(OCc2nnc(C3CCC3)o2)c2cccc(F)c2n1 96492843 RTUKSEXTINFDKZ-UHFFFAOYSA-N 313.332 3.912 0 40 DHAB CC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3cccs3)nn21 102112538 FLKBTQADEGAIOA-KRWDZBQOSA-N 324.409 3.542 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 107343267 NYMYVMDNKKTICZ-HVTMNAMFSA-N 310.825 3.510 0 40 DHAB O=C(Nc1ccc(-c2ccc(C(=O)O)o2)cc1)c1ccccc1 140684685 JQKAHKAONOMQQA-UHFFFAOYSA-N 307.305 3.897 0 40 DHAB C[C@@H](NC(=O)OC(C)(C)C)c1nc(C2CCOCC2)cs1 193745466 YAGDGSYJZIRJAD-SNVBAGLBSA-N 312.435 3.623 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1ccc(C)cc1 216420935 RXQPMUUXKQWQRZ-MRXNPFEDSA-N 311.425 3.983 0 40 DHAB Cc1cccc(-c2nnc(-c3c(C)nc4cc(C)ccn34)o2)c1 216602572 HRLBQEFXPOITFW-UHFFFAOYSA-N 304.353 3.977 0 40 DHAB C[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1 219055133 BSXWVXPDKWDDMZ-AWEZNQCLSA-N 317.816 3.856 0 40 DHAB CCCO[C@](C)(C(=O)Nc1ccc(OCC)c(C)c1)C1CC1 225673292 YFBMTHMSZOVUNJ-SFHVURJKSA-N 305.418 3.928 0 40 DHAB Cc1cccc(CSCCNC(=O)NC2CCCCC2)c1 225754614 JPORIJMNFFZCGF-UHFFFAOYSA-N 306.475 3.860 0 40 DHAB Cc1cnc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)s1 257267660 MIGQUCLRHCPUEQ-CYBMUJFWSA-N 320.483 3.852 0 40 DHAB CO[C@H](C)c1cccc(NCC(=O)N[C@@H]2CCCC[C@H]2C)c1 330465938 WJNFCUQYMAZEKD-CKEIUWERSA-N 304.434 3.501 0 40 DHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccoc1 675008126 CCDNJUUGKMMDHU-LBPRGKRZSA-N 319.407 3.533 0 40 DHAB CSC(NC(=O)c1ccc(F)cc1)=C(SC)SC 675032169 TYKFCWUHYCTQEZ-UHFFFAOYSA-N 303.449 3.771 0 40 DHAB COc1cccc(C)c1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C 822976508 YZRGRAFFZPBNNU-XJKSGUPXSA-N 310.397 3.854 0 40 DHAB CCOC(=O)OCCCC(F)(F)C(F)(F)Br 1083809164 RMBQVULKNSPUPB-UHFFFAOYSA-N 311.069 3.563 0 40 DHAB Cc1c(Cl)ccc(S(=O)(=O)N2CCC[C@H](C)C2)c1Cl 192068 UAYVBUPZVCHTSW-VIFPVBQESA-N 322.257 3.722 0 40 DHAB Cc1cccc2c1NC(=O)[C@]2(O)CC(=O)c1ccc(C(C)C)cc1 300005 UWRUDVSQIXGNAN-FQEVSTJZSA-N 323.392 3.531 0 40 DHAB CCSc1nnc(COc2ccccc2)n1-c1ccccc1 422497 KTUXSFRVURQAPZ-UHFFFAOYSA-N 311.410 3.958 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1C 569758 CABAEFUJGIUCPU-UHFFFAOYSA-N 324.424 3.921 0 40 DHAB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1C[C@@H]1CCCO1 575026 CZQLFNZQVBFLMM-GYKGCMEESA-N 322.408 3.777 0 40 DHAB O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 1670668 GRBNSXNIWBORQH-UHFFFAOYSA-N 309.152 3.571 0 40 DHAB CCCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1O 2069757 CFRQFHNRELJHOC-UHFFFAOYSA-N 313.353 3.520 0 40 DHAB Cc1ccc2c(c1)nnn2CNc1cccc(Br)c1 3159191 OTDPKOPKOQWQHN-UHFFFAOYSA-N 317.190 3.572 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 4540161 AQQYSEYVIXTLST-UHFFFAOYSA-N 303.745 3.754 0 40 DHAB O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccc(Cl)cc1 4899186 QEECFVCLPVGLCD-UHFFFAOYSA-N 321.785 3.841 0 40 DHAB COc1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1F 5400681 YGDFIVRVHHVGQP-UHFFFAOYSA-N 319.405 3.930 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3ccccc3F)n2)c(C)c1 5401102 ZRHGKVJSOFNSEY-UHFFFAOYSA-N 308.356 3.715 0 40 DHAB CCCCCc1nnc(NC(=O)c2ccccc2OC)s1 5419300 XKZFOCSOCPKQTJ-UHFFFAOYSA-N 305.403 3.532 0 40 DHAB CC(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 6718991 MFDPKLQEDCBTSI-UHFFFAOYSA-N 317.414 3.774 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1ccccc1N1CCCCC1 6822588 XVKNSDVRTOTPKE-UHFFFAOYSA-N 312.388 3.997 0 40 DHAB COc1ccccc1NC(=O)/C=C/c1ccc(Br)o1 9614061 YVEAOOJDPMQYRW-VQHVLOKHSA-N 322.158 3.703 0 40 DHAB CN(C(=O)c1cccs1)c1nc2c(s1)CCc1occc1-2 12181458 JXBVCMDKAWEJHQ-UHFFFAOYSA-N 316.407 3.840 0 40 DHAB Cc1c(C)n(C[C@H](O)CNC2CCCCC2)c2ccc(F)cc12 12422001 BQCBTBXBCAOYKN-QGZVFWFLSA-N 318.436 3.680 0 40 DHAB O=C(Nc1cnc2ccccc2c1)c1cc(O)nc2ccccc12 12645333 LYYOBPRMAMWCII-UHFFFAOYSA-N 315.332 3.741 0 40 DHAB Cc1cnc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cn1 12915682 OAVLHJVHJVXEKW-JTQLQIEISA-N 324.211 3.925 0 40 DHAB Cc1cccc(Cn2c(-c3ccc[nH]c3=O)nc3ccccc32)c1 13125643 GNGRVPISUMNWMV-UHFFFAOYSA-N 315.376 3.748 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)s2)c1 18204380 NRUGTQACRGGWMG-NSHDSACASA-N 305.399 3.565 0 40 DHAB CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19081499 IQVOTDRLKQAQTK-KZNAEPCWSA-N 314.473 3.559 0 40 DHAB CSc1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 19359002 LUWOIMACUYDCNE-YQVWRLOYSA-N 316.514 3.715 0 40 DHAB O=C(c1ccccc1)N1CCCC[C@@H]1CCN1CCCCCC1 21170709 ROOLRGBHJLLKAE-LJQANCHMSA-N 314.473 3.947 0 40 DHAB Cc1cccc(OCCNC(=O)[C@@H](C)Sc2ccccc2)c1 22500228 ZRUWHNBEVXOPLU-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB CCc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)o1 25110634 FCDIADURUDSNHI-UHFFFAOYSA-N 323.396 3.738 0 40 DHAB CCC[C@@H](C)NC(=O)c1sc2nc(CC)nc(C)c2c1C 32903234 YFTQOOPGITVBCJ-SECBINFHSA-N 305.447 3.789 0 40 DHAB Cc1ccc(NC(=O)C[C@H](C(=O)O)[C@H](C)c2ccccc2)cc1 35142170 XYBKFVXSGNRBEL-PBHICJAKSA-N 311.381 3.828 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C)N(C)Cc2sccc2C)cc1 40002638 PTLLDARMZVXRNV-OAHLLOKOSA-N 316.470 3.502 0 40 DHAB COc1cc(-c2ccccc2)sc1C(=O)NCc1ccccn1 48189091 QYVOCVAZFSDQCQ-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB c1ccc(C[C@H]2CCCN2Cc2noc(-c3ccccc3)n2)cc1 55505314 WKRVFIQOHUMCLF-GOSISDBHSA-N 319.408 3.944 0 40 DHAB Cc1cc(C)cc(N(C)C(=O)c2cnc3c(cnn3C(C)C)c2)c1 55898684 OFWPCIBCWYYVJN-UHFFFAOYSA-N 322.412 3.906 0 40 DHAB CCc1c(C(=O)Nc2ccc(OC)c(C)c2)[nH]c(C)c1C(C)=O 56039020 KBUBVFSQZVRYOF-UHFFFAOYSA-N 314.385 3.657 0 40 DHAB c1nc(N2CCCSCC2)c2c3c(sc2n1)CCCC3 58369658 OOEDXXSOLNPCLY-UHFFFAOYSA-N 305.472 3.513 0 40 DHAB CC1(C)CC[C@@H](N[C@H](C(N)=O)c2ccccc2)c2ccccc21 63774474 OKLBIPYPDOARPN-MSOLQXFVSA-N 308.425 3.615 0 40 DHAB COc1cc(C)c(NC(=O)N(C)[C@H](C)CC(C)C)cc1OC 69492476 HMGLKWKUNSBSCS-CYBMUJFWSA-N 308.422 3.911 0 40 DHAB COc1cccc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)c1 69697673 MCSZOMYKVOJNAK-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB CC(C)N1CCC[C@@H](Cc2cncc(Br)c2)CC1 72366097 QLPJJMVBBPFKRH-CYBMUJFWSA-N 311.267 3.897 0 40 DHAB COc1ccccc1[C@H]1CCCN1C(=O)c1cc(C(C)C)no1 72788530 CQKNHGNHHORXHV-OAHLLOKOSA-N 314.385 3.784 0 40 DHAB CS[C@H](C)c1cccc(NC(=O)N[C@H](CO)c2ccco2)c1 76070416 KJSDOLCNHCOKGD-BXUZGUMPSA-N 320.414 3.559 0 40 DHAB Cc1cc(CC(=O)N[C@H](c2ccccc2F)C2CCCC2)no1 88251099 GAHJCLPNLFWQSI-SFHVURJKSA-N 316.376 3.712 0 40 DHAB COCc1c(Cl)cccc1NC(=O)[C@H]1C[C@@H]1c1ccco1 89420297 VTCOKHMRVUOUKP-QWRGUYRKSA-N 305.761 3.822 0 40 DHAB C[C@H](c1cccs1)[S@](=O)Cc1noc(-c2ccccc2)n1 95428101 XHFNFEOSFZWVCM-FIKIJFGZSA-N 318.423 3.808 0 40 DHAB OC1=Nc2ncn(-c3ccccc3)c2[C@@H](C(F)(F)F)SC1 95472625 DFIYOUKQKSVAGQ-NSHDSACASA-N 313.304 3.811 0 40 DHAB Cc1c(O)cccc1C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 95979035 WGFINHDFYIKBFC-BBATYDOGSA-N 313.372 3.893 0 40 DHAB CSc1ccc([C@H](O)CNC(=O)Nc2cccc(C)c2)cc1 96103295 GYTKGTQOUBVYDB-MRXNPFEDSA-N 316.426 3.572 0 40 DHAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccccc2)n1 96296223 KCWZAKWCNBFQML-HNNXBMFYSA-N 300.402 3.546 0 40 DHAB biogenic,in-vitro C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)cc1F 97372414 LZYILCQQIVOTQQ-BTDLBPIBSA-N 399.397 3.508 0 40 DHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc3cccnc13)CC2=O 100749066 VJMCVXHADRXLPU-PMACEKPBSA-N 322.408 3.959 0 40 DHAB C[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(-c2cncnc2)cc1 102704721 NGYSJHGMRMSAFA-MCPREKNCSA-N 319.408 3.533 0 40 DHAB COc1ccc([C@H]2CCCCN(C(=O)CC(F)(F)F)C2)cc1 206885493 WRWXMAGJHBXYDO-ZDUSSCGKSA-N 315.335 3.744 0 40 DHAB Cc1ccc(OCC(=O)n2cc(C=O)c3ccccc32)cc1C 218737908 PNCKDMLRGSLDHG-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1ccco1 222949228 MTMCVWGFPZQEGF-SECBINFHSA-N 306.159 3.634 0 40 DHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1C1CCCC1 225004783 WGWUYEILIXJMRZ-CVEARBPZSA-N 313.426 3.590 0 40 DHAB O=C(CCc1ccccc1F)NCCSC1CCCCC1 225180279 GMFXFABLSNHDMN-UHFFFAOYSA-N 309.450 3.940 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)c(C)n1 225913090 DRGAHVIPIIRQEJ-GOSISDBHSA-N 320.433 3.713 0 40 DHAB CC(C)CN1CC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257220034 DJGBQRUVMVYIIN-HNNXBMFYSA-N 302.393 3.850 0 40 DHAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cc2cccc(N)c2)cc1 261687421 ISPHNJCIHTWAAV-OAHLLOKOSA-N 310.441 3.887 0 40 DHAB O=C(CCc1cccnc1)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1 409412762 AGOQOTOIUNIUBI-RMVXJAJNSA-N 320.436 3.713 0 40 DHAB C[C@@H](NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1cscn1 528044703 JUCRXHSPASJBNL-NOZJJQNGSA-N 321.833 3.844 0 40 DHAB Cc1cc2c(cc1C)[C@H](C(=O)Nc1cncc3ccccc13)CO2 547437203 TWSVDEJAXRQUQH-QGZVFWFLSA-N 318.376 3.966 0 40 DHAB COc1ccc(-c2nnc3ccc4ccccc4n23)c(OC)c1 77477 LZRQWYDAVRYGJU-UHFFFAOYSA-N 305.337 3.567 0 40 DHAB COc1ccc([C@](O)(c2ccccc2)[C@H](O)c2ccccc2)cc1 1570022 NGUAZYIANFFYIS-NHCUHLMSSA-N 320.388 3.665 0 40 DHAB O=C(c1ccc(CN2CCC2)cc1)c1cc(F)c(F)c(F)c1 2514646 MLWVPSWZWVKFHJ-UHFFFAOYSA-N 305.299 3.541 0 40 DHAB CCN(C(=O)COC(=O)c1cc(C)ccc1C)c1ccccc1 3275247 GUFAMHBTRNLGAU-UHFFFAOYSA-N 311.381 3.513 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2)cc1F 3422197 FEOJPYJNYRNJJR-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1cccc(OC(F)F)c1 5510802 MCSWJPDSJKQMKI-NSHDSACASA-N 321.323 3.788 0 40 DHAB S=c1[nH]nc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1 6494006 ZLQPAQFNKLZRJQ-UHFFFAOYSA-N 321.409 3.591 0 40 DHAB Cc1cc(C)c2c(n1)sc1c(NCc3ccccn3)ncnc12 6719071 IOPOOWHUJPWABA-UHFFFAOYSA-N 321.409 3.863 0 40 DHAB CCCCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1 7261036 GUVNHXROVORIOC-UHFFFAOYSA-N 320.477 3.650 0 40 DHAB Cc1ccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)nc1 8993605 LLPPRJCELPEFTC-UHFFFAOYSA-N 312.369 3.699 0 40 DHAB Fc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1 9513527 CAGIYKDFBYSDSN-UHFFFAOYSA-N 319.343 3.567 0 40 DHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)c(F)c1)C2 11378936 CENJDZRVXWKALR-HNNXBMFYSA-N 305.349 3.929 0 40 DHAB CCN(CC)C[C@H](O)Cn1c(C)c(C)c2cccc(Cl)c21 12421915 NWDPRMHVVATIQD-AWEZNQCLSA-N 308.853 3.614 0 40 DHAB Cc1cc(C(=O)NCCCO[C@@H](C)c2ccccc2)c(C)o1 12874086 GRSABJOHMPGKCK-AWEZNQCLSA-N 301.386 3.794 0 40 DHAB C[C@H](NC(=O)CN1CCc2ccccc21)c1ccc(Cl)cc1 13041125 YRNGAGUBKPVCOW-ZDUSSCGKSA-N 314.816 3.580 0 40 DHAB O=C(O)c1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 13166414 DFWIXQNZQNGSLS-UHFFFAOYSA-N 324.163 3.622 0 40 DHAB C[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccccc1 13709588 UIVMRMSKGNJBME-ZDUSSCGKSA-N 303.789 3.766 0 40 DHAB O=C(NCc1cccnc1)c1ccc(Oc2ccc(F)cc2)cc1 16180975 RGSNBWICMFOHRK-UHFFFAOYSA-N 322.339 3.943 0 40 DHAB CCCSc1nc(N)c2c3c(sc2n1)CN(CCC)CC3 19707217 QFSDTBDCEZXDLE-UHFFFAOYSA-N 322.503 3.544 0 40 DHAB CCc1cc2c(=O)[nH]c(CNc3cccc(Cl)c3)nc2s1 19926555 BGRFGLZZRSRJSD-UHFFFAOYSA-N 319.817 3.813 0 40 DHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccccc1 20137095 YYZAIYRZRCLREF-UHFFFAOYSA-N 321.376 3.929 0 40 DHAB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc(OC(C)C)c1 20141593 XZTAJKXFALJKEV-UHFFFAOYSA-N 313.353 3.733 0 40 DHAB CC(C)[C@@H]1O[C@@H](COc2ccccc2)CN1Cc1ccco1 20146128 KWCVCDXOLNZGNY-MSOLQXFVSA-N 301.386 3.542 0 40 DHAB CCCNc1c(NC(=O)c2ccccc2)c(=O)oc2ccccc12 20603503 OOBBHTGPLQGGDD-UHFFFAOYSA-N 322.364 3.867 0 40 DHAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nncs1)c1ccccc1 21334961 ITNNZWBKWGHTFY-DGCLKSJQSA-N 321.471 3.676 0 40 DHAB O=C(c1ccc2cn[nH]c2c1)N1CCC(Cc2ccccc2)CC1 21540965 ZRAUMDPTSOKLPP-UHFFFAOYSA-N 319.408 3.658 0 40 DHAB Cc1cn2c(CC(=O)Nc3ccc(Cl)cc3)csc2n1 24974082 ZEZCEWORGWEBPP-UHFFFAOYSA-N 305.790 3.539 0 40 DHAB CC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2cccs2)c1 32841982 ZYIGPTKCKUEUMS-LLVKDONJSA-N 302.399 3.540 0 40 DHAB Cc1cc2nc(NC(=O)c3ccn(C(C)C)n3)sc2cc1C 36701812 ZFXWCUDSQXKTPX-UHFFFAOYSA-N 314.414 3.943 0 40 DHAB COc1cccc(NC(=O)N[C@@H](C)Cc2cccs2)c1OC 38489508 OLXXIMIRERCVDL-NSHDSACASA-N 320.414 3.518 0 40 DHAB CNC(=O)c1cccc(OCCCOc2ccc(Cl)cc2)c1 42112590 KHWTUDHVJHLHDH-UHFFFAOYSA-N 319.788 3.548 0 40 DHAB Cc1c(C(=O)N(Cc2ccco2)C2CC2)oc2c1C(=O)CCC2 49650685 OWVIPLVLWSKPMK-UHFFFAOYSA-N 313.353 3.505 0 40 DHAB CN(Cc1nnsc1Cl)Cc1c(F)cccc1Cl 52916694 WMVYJAHLSVXKRQ-UHFFFAOYSA-N 306.193 3.616 0 40 DHAB COCCn1cc(C(=O)Nc2ccccc2F)c2ccccc21 57419115 VUVMKQGRGHOVIZ-UHFFFAOYSA-N 312.344 3.679 0 40 DHAB COC[C@@H](C)N(C)C(=O)c1ccc2noc(-c3ccccc3)c2c1 58358087 IITDNAMSWCGMLP-CYBMUJFWSA-N 324.380 3.602 0 40 DHAB CC(C)c1nc(CSc2nc(-c3cccnc3)n[nH]2)cs1 71795740 RGEBPABAEQNCJN-UHFFFAOYSA-N 317.443 3.739 0 40 DHAB Cc1cc(C)nc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)n1 72369684 OOXUUHKKYCPNNK-SFHVURJKSA-N 318.424 3.631 0 40 DHAB CC(=O)c1ccc(OCc2nnc(-c3cccc(C)c3)o2)cc1 84213222 YWHAMRKAXRICFZ-UHFFFAOYSA-N 308.337 3.827 0 40 DHAB Cc1cc([C@H](C)NC(=O)N(C)Cc2cc(Cl)cn2C)c(C)o1 89580415 REDQZIBHGZESQD-NSHDSACASA-N 323.824 3.791 0 40 DHAB Cc1ccc([C@@H]2COCCN2C(=O)CCCc2ccccc2)o1 89652697 YUJCRXFFWANCOV-KRWDZBQOSA-N 313.397 3.511 0 40 DHAB C[C@H](CCn1cncn1)N[C@H](C)c1cc2cc(Cl)ccc2o1 90034598 HLDUSLIEUJBYKV-VXGBXAGGSA-N 318.808 3.807 0 40 DHAB O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 95696154 XWCXSCINGFOTIO-LJQANCHMSA-N 308.425 3.530 0 40 DHAB Cn1ccnc1[C@@H](NCC1(c2cccc(Cl)c2)CC1)C1CC1 95986453 CLQMWXQAYUMMHT-INIZCTEOSA-N 315.848 3.846 0 40 DHAB CCc1cc(NCc2ccncc2CC)nc(-c2ccncc2)n1 95994822 SQPQHIPKEITQIJ-UHFFFAOYSA-N 319.412 3.671 0 40 DHAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2nnc(C(C)C)n12 96579882 QIXPBAFEKBGRQG-UHFFFAOYSA-N 318.377 3.614 0 40 DHAB C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)[C@@H]1C[C@H]2CC[C@H]1C2 107451346 OSGFBVVBLYQODD-FHRVQPQHSA-N 321.424 3.584 0 40 DHAB Cc1cc(-c2ncn([C@@H]3CCCCO3)n2)ccc1Br 113926572 ZQYMIDKPBPVWJY-ZDUSSCGKSA-N 322.206 3.715 0 40 DHAB Nc1ccc(-c2cc3ccccc3oc2=O)c(Br)c1 216938857 GVJWWBQHZQLLDT-UHFFFAOYSA-N 316.154 3.805 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)n1 257211019 BXDIPQZFGBTPGZ-GOSISDBHSA-N 323.440 3.617 0 40 DHAB CC(C)[C@H]1CC(NCc2ccc3c(c2)OCO3)C[C@H](C(C)C)O1 524735306 QFCSLHUPMINKGK-QZTJIDSGSA-N 319.445 3.733 0 40 DHAB Cc1ccc2sc(N3CC(Cn4ccnc4C)C3)nc2c1C 1889175184 ODCBSIWHZPWVJK-UHFFFAOYSA-N 312.442 3.554 0 40 DHAB COc1ccc(-c2nc3c(c(SC)n2)COC(C)(C)C3)cc1 530214 QJPWYFVWKDZPCI-UHFFFAOYSA-N 316.426 3.725 0 40 DHAB Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N(C)C)cc2)n1 541733 ZRSSNLUPIAZNBU-UHFFFAOYSA-N 305.381 3.550 0 40 DHAB COc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(OC)c1 552530 CGSXRNMTQJVYPI-UHFFFAOYSA-N 311.385 3.671 0 40 DHAB O=C1O[C@H](Nc2ccc(Br)cc2F)c2ccccc21 552951 FPDLABTWASHSOM-ZDUSSCGKSA-N 322.133 3.869 0 40 DHAB Cn1c(SCCCc2ccccc2)nnc1-c1ccncc1 2128613 YPBZMMQAHLQXIP-UHFFFAOYSA-N 310.426 3.602 0 40 DHAB CCCCN1c2ccccc2N(CCCO)c2cc(C)nnc21 2215476 IHHJHOMBZIWVOJ-UHFFFAOYSA-N 312.417 3.557 0 40 DHAB C[C@H](Sc1ccccc1F)c1nc2ccccc2c(=O)[nH]1 4493297 XTGGSTHJEKHMBJ-JTQLQIEISA-N 300.358 3.916 0 40 DHAB Cc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 4812124 NBJXNDQGKGZVFR-IWGBCORSSA-N 318.420 3.632 0 40 DHAB O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccccc1 5871321 DMSAENNRNBICQZ-UHFFFAOYSA-N 322.408 3.955 0 40 DHAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccccc1F 6155542 VJRYBHOQDHJZCF-CSKARUKUSA-N 316.328 3.901 0 40 DHAB O=C(/C=C/c1nc2ccccc2s1)N1CCc2ccccc21 6553163 YPLLWWVYGCGHRC-MDZDMXLPSA-N 306.390 3.899 0 40 DHAB COc1cccc(C(=O)CSc2nc(C)nc3ccccc23)c1 6935923 JUTAMOHMOGKDSN-UHFFFAOYSA-N 324.405 3.922 0 40 DHAB COc1ccc(CNC(=S)Nc2ccc(C)c(C)c2)cc1 7528751 JBPZVFDJGGNHRM-UHFFFAOYSA-N 300.427 3.799 0 40 DHAB CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)O)cc1 7885545 RVNULUDMUBBQFC-YVEFUNNKSA-N 324.380 3.750 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)Sc2cc(C)nc(C)n2)c(C)c1 12016739 DLDGFOAFVJKHJL-ZDUSSCGKSA-N 315.442 3.830 0 40 DHAB COc1ccc(-c2cc(CNC(=O)c3ccccc3C)no2)cc1 12637684 FFWUOQSJYZNZHS-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB COc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 14239883 KVRLSIIBIWPNDN-HNNXBMFYSA-N 317.385 3.801 0 40 DHAB O=S(=O)(Oc1ccc(F)c(F)c1)c1ccc2ccccc2c1 16086578 DTQGBBOCYOWGON-UHFFFAOYSA-N 320.316 3.886 0 40 DHAB Cc1ccc2nc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)[nH]c2c1 18212909 ULIDUSJEAUCJSY-BETUJISGSA-N 317.458 3.753 0 40 DHAB c1ccc2c(CN3CCN(Cc4ccncc4)CC3)cccc2c1 19376382 LASBYUDWFSSBFO-UHFFFAOYSA-N 317.436 3.553 0 40 DHAB O=C(NCc1ccc(F)cc1)Nc1ccc(Br)cc1 20457878 OVBSLJKDWWQEGR-UHFFFAOYSA-N 323.165 3.910 0 40 DHAB CC(C)Oc1cccc([C@H]2SCC(O)=Nc3n[nH]cc32)c1 20729800 UPGJTBFMHAGKTK-CQSZACIVSA-N 303.387 3.621 0 40 DHAB Cc1ccc(-c2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 20799308 VFUSCVMIPZLGJO-MRXNPFEDSA-N 320.392 3.551 0 40 DHAB Cc1cc(OCc2ccc(C(=O)NC3CC3)o2)ccc1Cl 28230124 CMQAZCLGJZDCAT-UHFFFAOYSA-N 305.761 3.713 0 40 DHAB O=C(CCc1ccccc1F)Nc1cccc(-c2ccn[nH]2)c1 29799386 AJLWBTFLWIKXEZ-UHFFFAOYSA-N 309.344 3.787 0 40 DHAB Cc1ccccc1CN[C@H](c1ccc(F)cc1)c1nccn1C 30644432 XZUHNVZSBUFJNF-GOSISDBHSA-N 309.388 3.747 0 40 DHAB CC[C@@H]1CN(C(=O)C2c3ccccc3Oc3ccccc32)CCO1 30856895 RSLYAGOYJCZNSP-CQSZACIVSA-N 323.392 3.562 0 40 DHAB CSc1ccc([C@H](C)NC(=O)c2cccnc2S)cc1 31690560 GEEZTSYLGKUJBH-JTQLQIEISA-N 304.440 3.583 0 40 DHAB c1cc(Nc2ncnc3ccccc23)cc(OC[C@H]2CCCO2)c1 32776854 DNBUPNWAYLHKLP-MRXNPFEDSA-N 321.380 3.931 0 40 DHAB COc1cc(Br)c2oc(-c3cccc(N)c3)nc2c1 45920190 SNVSGODYOCAPAS-UHFFFAOYSA-N 319.158 3.848 0 40 DHAB Cc1cc(C)cc(OCCn2cccc(C(F)(F)F)c2=O)c1 48374529 ILESVLVJRWZTMH-UHFFFAOYSA-N 311.303 3.563 0 40 DHAB O=C(Nc1nccs1)N1CCC[C@@H]1Cc1ccc(F)cc1 52460470 AWYJURFXOMSDLQ-CYBMUJFWSA-N 305.378 3.521 0 40 DHAB N=C(NCc1ccccc1)NCc1ccc(Cl)cc1Cl 57887244 QTTDACNCFUNZEW-UHFFFAOYSA-N 308.212 3.808 0 40 DHAB Cc1ccc(-n2nnnc2S[C@@H](C)c2cccnc2)c(C)c1 58291698 AHWFIMXUKRPFRB-ZDUSSCGKSA-N 311.414 3.527 0 40 DHAB Cc1cc(N2CCCC2)nc2sc3c(Cl)ncnc3c12 71282941 LRDVCPRVBMVJNR-UHFFFAOYSA-N 304.806 3.802 0 40 DHAB CC(C)Oc1ccc(NC(=O)[C@H]2CCCO2)c(C(F)(F)F)c1 78512016 YCFOIZDDVLVATB-CYBMUJFWSA-N 317.307 3.610 0 40 DHAB CC(C)n1cnnc1CN[C@@H]1C[C@H](C)Sc2sccc21 90038327 AKICVLYMJPAFBO-CMPLNLGQSA-N 308.476 3.636 0 40 DHAB CCS[C@@H]1CCCCN(Cc2sc(N(C)C)nc2C)C1 93361857 QMJSNOGYPFMYEF-CYBMUJFWSA-N 313.536 3.625 0 40 DHAB CC[C@H](c1ccc(F)cc1F)[S@](=O)C[C@@H]1CCCCO1 95407425 SABMURBEWQUDKQ-VHPWJVAPSA-N 302.386 3.734 0 40 DHAB C[C@@H]1CSc2ccccc2[C@@H]1NC1CCN(C2CC2)CC1 95427074 ZHTRDQRXRWNSCC-FZKQIMNGSA-N 302.487 3.686 0 40 DHAB C[C@H](NC(=O)c1ccccc1COC1CCOCC1)C(C)(C)C 95449663 UQFJFOUOOVIMMH-AWEZNQCLSA-N 319.445 3.547 0 40 DHAB Cc1cccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1C 96248384 HALUACHOSLWPER-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CNC(=S)Nc1ccccc1 100363282 VTDKMGFGTDCAQQ-HBUWYVDXSA-N 316.470 3.614 0 40 DHAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@H](C)Oc1ccccc1 106715930 WGSRINSIHHMAFO-HNNXBMFYSA-N 321.380 3.587 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 108885824 ZVIFKIHTQYLPRS-LFRCEIEQSA-N 301.430 3.703 0 40 DHAB CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 121210399 CRKKNZFLRSLYAA-GOSISDBHSA-N 324.424 3.673 0 40 DHAB CC[C@@]1(C)Oc2ccc(NC(=O)CCc3ccccn3)cc2O1 135262651 CBVWLPDZWPBJKN-SFHVURJKSA-N 312.369 3.550 0 40 DHAB COCCCNCc1cc(C)n([C@H](C)c2ccccc2)c1C 223678009 AOEMURIIBAFQIS-MRXNPFEDSA-N 300.446 3.840 0 40 DHAB S=C(Nc1cccnc1)NC1(c2cccs2)CCCC1 225874066 AYVJPNUQYUFZHA-UHFFFAOYSA-N 303.456 3.899 0 40 DHAB CCOC1(C(=O)Nc2ccc(OC)c3ncccc23)CCCC1 225898741 XCSDHISQDCEHST-UHFFFAOYSA-N 314.385 3.531 0 40 DHAB CC(C)n1ncnc1CSc1ncc(-c2ccc(F)cc2)o1 278792804 VGMMAZHSCSMMMA-UHFFFAOYSA-N 318.377 3.945 0 40 DHAB Cc1cc(C)cc(CN2CCn3c(-c4cccnc4)cnc3C2)c1 306123997 BCPKBEITFLWEBC-UHFFFAOYSA-N 318.424 3.578 0 40 DHAB O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccco1 534075 YJPPZSPGXZPSLO-UHFFFAOYSA-N 313.382 3.806 0 40 DHAB aggregator Cc1cc(C)c(NC(=O)CSc2ccccc2N)c(C)c1 4708530 UQIRGCBXLVOHGZ-UHFFFAOYSA-N 300.427 3.925 0 40 DHAB O=C(c1c(Cl)ccc(F)c1F)N1CCc2ccccc2C1 4861066 PJDJOXBZLGAHHH-UHFFFAOYSA-N 307.727 3.817 0 40 DHAB CC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2C)c1 4903922 OAVXYTAFXUSPFF-UHFFFAOYSA-N 316.788 3.902 0 40 DHAB Oc1cccc2ccc(/C=C/c3ccc4c(c3)OCCO4)nc12 5127718 QDYNVAGPFCEOKY-QPJJXVBHSA-N 305.333 3.882 0 40 DHAB C[C@]12CCCC[C@@]13NC(=O)c1ccccc1CN3c1ccccc12 5394113 GSSNBIWIBKOZMJ-RTWAWAEBSA-N 318.420 3.978 0 40 DHAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 5967253 MQUNGKUCVMDYPT-LBPRGKRZSA-N 314.406 3.973 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 6647446 LTRBYNVREKGYID-UHFFFAOYSA-N 308.208 3.895 0 40 DHAB CSc1nc2ccc(NC(=O)c3c(C)noc3C)cc2s1 6790589 YVLAAEMACJUCSD-UHFFFAOYSA-N 319.411 3.875 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C(C)C 7360950 DRUNDHCBRMNBRE-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB O=C(Nc1nn2cc(-c3ccccc3)nc2s1)C1CCCC1 8134664 UIZHHIDLYCDMAU-UHFFFAOYSA-N 312.398 3.587 0 40 DHAB c1ccc(-c2ccc(C3=NN=C(NC4CC4)SC3)cc2)cc1 8156756 ICIGLINBVYDERM-UHFFFAOYSA-N 307.422 3.913 0 40 DHAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cnccn1 8391449 XEEXAQXTYQOTRG-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB Cc1cc(CSc2nnc(NC3CCCCC3)s2)no1 8735824 KXDRSHCFGRGFNC-UHFFFAOYSA-N 310.448 3.871 0 40 DHAB CC[C@H](C)c1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 9513361 HMPIGKWSMYOTHM-UGSOOPFHSA-N 324.432 3.842 0 40 DHAB Cc1cc(C)c(OCC(=O)N2CCc3sccc3C2)c(C)c1 10922540 TUOCEGKOXOXKFC-UHFFFAOYSA-N 315.438 3.637 0 40 DHAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1F 11613444 NKOROBYSZZQXCJ-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB CCN1C(=O)C(C)(C)Oc2ccc(C(=O)c3cccs3)cc21 12275136 LJFUMQKWUUQIEI-UHFFFAOYSA-N 315.394 3.503 0 40 DHAB Cc1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c(C)o1 12814327 MCBLIEVMIFWNBP-UHFFFAOYSA-N 313.275 3.725 0 40 DHAB CCCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1OC 12843173 HFUOSLBAWAESRD-UHFFFAOYSA-N 306.406 3.809 0 40 DHAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccccc1)c1ccccc1 12924735 CPFFPUOUXLYVBL-VQIMIIECSA-N 308.425 3.701 0 40 DHAB Cc1ccc(CCNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 13998922 OHEZEGYWSNNIRY-UHFFFAOYSA-N 320.436 3.786 0 40 DHAB CC(C)Cn1nccc1NC(=O)c1ccc(Br)cc1 14157744 HMEGMDVZXUMNAW-UHFFFAOYSA-N 322.206 3.554 0 40 DHAB CCOC(=O)c1sc(N)nc1-c1ccc(C(F)(F)F)cc1 16158369 BJSLGHDKMLOINR-UHFFFAOYSA-N 316.304 3.588 0 40 DHAB COc1ccc(CNCc2c(C)nn(-c3ccccc3)c2C)cc1 17310347 AOWMUOXQPHQMNZ-UHFFFAOYSA-N 321.424 3.788 0 40 DHAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccncc2)c1 19565995 BBTRJBRIOVGVLB-FUHIMQAGSA-N 324.424 3.522 0 40 DHAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(N)ccc2F)cc1 19736623 SBZDTCNOPYLLFD-UHFFFAOYSA-N 316.376 3.723 0 40 DHAB COc1cccc([C@@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)c1 19927600 GJRBDOZSIXNVEQ-HZMBPMFUSA-N 320.439 3.627 0 40 DHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1 20137367 FTBKHZPDPDASNA-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccccc2)c1 23636884 GIFRIDUGWWBZLE-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB Cc1cccc(C(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)c1 32818364 SUZWGIFKBFYTCK-KBPBESRZSA-N 315.335 3.615 0 40 DHAB O=C(Nc1ccccc1OC(F)(F)F)[C@H]1Cc2ccccc2O1 32837426 VJTBWUFWSSKPFP-CQSZACIVSA-N 323.270 3.527 0 40 DHAB COc1ccc([C@@H](C)NC(=O)CSc2ccccc2)cc1 38755007 GJEWUYYZHMLFCC-CYBMUJFWSA-N 301.411 3.665 0 40 DHAB COc1ccc(Cl)cc1NC(=O)Cc1sc(C)nc1C 40267262 ZPKWTMMFXLSNBJ-UHFFFAOYSA-N 310.806 3.603 0 40 DHAB CN(CCc1ccncc1)C(=O)Nc1ccc(C(F)(F)F)cc1 58215336 ZGCZSEAQMPHEGH-UHFFFAOYSA-N 323.318 3.807 0 40 DHAB Cc1cccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c1 58279776 CZAGUEGYAFWFRR-UHFFFAOYSA-N 312.394 3.587 0 40 DHAB CN(C[C@@H]1CCCO1)C(=O)/C=C/c1c(Cl)cccc1Cl 58377928 MVIDGWYYKHBYPS-AEZGRPFRSA-N 314.212 3.644 0 40 DHAB Cc1ccccc1[C@@H]1CCN(C(=O)c2c[nH]c3ncccc23)C1 69570893 LAHRIZVKZYOVOO-CQSZACIVSA-N 305.381 3.501 0 40 DHAB CCn1cc(NC(=O)c2cc(OC(C)C)c3ccoc3c2)cn1 71195352 OHESJPRUUAZYGU-UHFFFAOYSA-N 313.357 3.689 0 40 DHAB C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)c1ccccc1Br 72302699 RMKPPONDOGSKDM-HTQZYQBOSA-N 324.140 3.825 0 40 DHAB c1ccc2c(c1)CCC[C@H]2N(CCC1OCCCO1)C1CC1 75092797 LCFFZHWHNZORHB-GOSISDBHSA-N 301.430 3.682 0 40 DHAB CC[C@@H](NC(=O)CCCn1ccnc1C)c1cc(F)ccc1F 77137599 RGYNWPYACKESII-MRXNPFEDSA-N 321.371 3.517 0 40 DHAB COc1ccc(-c2nc(N)c3nc(-c4ccccc4)oc3n2)cc1 80346149 OMCCPLSKHWBBAX-UHFFFAOYSA-N 318.336 3.543 0 40 DHAB CC(C)(C)c1cc(NC(=O)c2ccncc2)n(C(C)(C)C)n1 84241122 UCDJROMZIAWZGO-UHFFFAOYSA-N 300.406 3.583 0 40 DHAB COc1ccc(O)cc1[C@@H](C)N[C@@H]1CCc2c(F)cccc21 96006903 RMWLNTJSFFBVFH-PIGZYNQJSA-N 301.361 3.878 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(Cl)c(F)c1 100189488 BHWRTOMGXHSKLK-SJKOYZFVSA-N 317.795 3.839 0 40 DHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113950705 TWZNQAAHFWEOAF-BHTHQVBYSA-N 307.821 3.802 0 40 DHAB O=c1[nH]c2c(s1)[C@@H]1c3ccccc3O[C@H]3CCC[C@@H](S2)[C@@H]31 170612859 RPODNVZRIFIAQZ-UMSGYPCISA-N 317.435 3.604 0 40 DHAB c1ccc(C2CC(Nc3cccc(Cn4cnnc4)c3)C2)cc1 195558506 MDCNFONKMDMZNF-UHFFFAOYSA-N 304.397 3.685 0 40 DHAB CCCO[C@@](C)(C(=O)Nc1ccc(OC)c(Cl)c1)C1CC1 225674545 BGWJDGGBOVBLFO-MRXNPFEDSA-N 311.809 3.882 0 40 DHAB CC1CCN(C(=O)c2snnc2-c2ccc(Cl)cc2)CC1 225770975 CDULLZBPJHHLSA-UHFFFAOYSA-N 321.833 3.731 0 40 DHAB CCOC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1OCC 225787663 NZGQKDOZRKTXPI-UHFFFAOYSA-N 319.401 3.781 0 40 DHAB CCCOc1ccccc1CN1[C@H]2CC[C@H]1c1cnc(C)nc1C2 247952512 KVIFUVDMSVAHAY-LPHOPBHVSA-N 323.440 3.836 0 40 DHAB Fc1ccc(Cc2cnc([C@@H]3CCN(c4ccccn4)C3)o2)cc1 257200750 AETGIRPGFNFBGP-OAHLLOKOSA-N 323.371 3.793 0 40 DHAB Cc1cc(CC2CCN(C(=O)C3CCCCC3)CC2)ccn1 257213429 CHOHKGYLLHTUTG-UHFFFAOYSA-N 300.446 3.751 0 40 DHAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3cnc[nH]3)cc2C1 331858517 WOABKZZCAOWDDR-GFCCVEGCSA-N 317.458 3.552 0 40 DHAB Cc1nccc([C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)n1 862230931 JSZFYTDQGPLMPX-KRWDZBQOSA-N 306.413 3.646 0 40 DHAB Cc1cc(C)c(C(=O)N2Cc3ccccc3NC2=S)c(C)c1 31290 LFCLKSFRSUJUAE-UHFFFAOYSA-N 310.422 3.965 0 40 DHAB Clc1ccccc1-c1nnc2sc(-c3ccccn3)nn12 383124 QFEZYJCWAAOWQB-UHFFFAOYSA-N 313.773 3.568 0 40 DHAB COC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 385243 LAIGARXVDNQWIU-UHFFFAOYSA-N 323.270 3.744 0 40 DHAB Cc1nnc(SCc2ccccc2Cl)n1C[C@@H]1CCCO1 420994 HGTKYWSHPZBYLR-ZDUSSCGKSA-N 323.849 3.711 0 40 DHAB CCc1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 506646 BYCWJQLEFLYVRT-QGZVFWFLSA-N 313.353 3.547 0 40 DHAB CC(C)Sc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1 1393522 FAAMWBXEJRUGDN-UHFFFAOYSA-N 314.332 3.752 0 40 DHAB Cc1ccccc1N1C(=O)c2ccccc2[C@@]1(O)c1ccccc1 1425964 ZFLKYRYEMHOYGZ-NRFANRHFSA-N 315.372 3.849 0 40 DHAB COc1ccc([C@@](O)(c2ccccc2)[C@H](O)c2ccccc2)cc1 1570021 NGUAZYIANFFYIS-RTWAWAEBSA-N 320.388 3.665 0 40 DHAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1845896 UXBUOQYOERKCRY-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 2432294 OHHFSJOVJPEECK-UHFFFAOYSA-N 310.382 3.786 0 40 DHAB Cc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1 2497535 BMPPFRFXVLJIEW-UHFFFAOYSA-N 301.349 3.665 0 40 DHAB COc1ccc(COC(=O)c2ccc3ncsc3c2)cc1F 2616615 WMGUXNWHQCCXMO-UHFFFAOYSA-N 317.341 3.801 0 40 DHAB CN(C)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 3205487 IDEFMXVWBOTTLH-UHFFFAOYSA-N 320.392 3.923 0 40 DHAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccnc1 3240964 YPBPYEHBEMBUOR-LJQANCHMSA-N 317.344 3.863 0 40 DHAB COC(=O)Nc1ccc2c(OC(C)=O)c(-c3ccccc3)[nH]c2c1 3844612 HBYGEHCVCIMVAN-UHFFFAOYSA-N 324.336 3.939 0 40 DHAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](CCC)C2 5458330 MEROQHXWASDHQZ-LLVKDONJSA-N 322.474 3.881 0 40 DHAB Cc1cc(C)c2nc(NC(=O)CN3CCCCCC3)sc2c1 5553833 WLEQYORPIKMTMH-UHFFFAOYSA-N 317.458 3.728 0 40 DHAB Cn1ccnc1SCC(=O)Nc1ccc(-c2ccccc2)cc1 6369270 UORWGRIWJYXAPA-UHFFFAOYSA-N 323.421 3.818 0 40 DHAB CC[C@H](NC(=O)COc1ccccc1C)c1ccc(OC)cc1 7037338 MQTBSCJWQQJZJM-KRWDZBQOSA-N 313.397 3.650 0 40 DHAB Cc1nc(Nc2cccc(C(=O)O)c2)cc(-c2ccccc2)n1 7952018 QUFYTUVJAYJTOE-UHFFFAOYSA-N 305.337 3.894 0 40 DHAB O=C(CCc1nc(-c2ccsc2)no1)NC1CCCCCC1 8128999 PMEXLKZKMSLFJH-UHFFFAOYSA-N 319.430 3.570 0 40 DHAB O=C1CCCN1c1cccc(-c2csc(-c3ccccn3)n2)c1 8297226 IDRHAMVPPDQECT-UHFFFAOYSA-N 321.405 3.999 0 40 DHAB Cc1ccnc(NC(=O)c2occc2COc2ccccc2)c1 10430595 AEJXPIPXJLQBDN-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCC3=O)c(C)c1 11100638 WSRCCZGQGLMBRQ-AWEZNQCLSA-N 323.392 3.838 0 40 DHAB CCOCCCN1Cc2cc3cccc(CC)c3nc2OC1=O 12236818 PYGPCGHCIIFUGT-UHFFFAOYSA-N 314.385 3.538 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 13676415 QGSCUXVRDLOJOM-HNNXBMFYSA-N 315.438 3.752 0 40 DHAB CC(=O)Nc1ccc(-c2nc(N3CCCC3)sc2C)cc1 14199931 QVXLPCWSGVFZTB-UHFFFAOYSA-N 301.415 3.677 0 40 DHAB O=C(NCc1ccco1)c1c2c(nc3ccccc13)CCCC2 16201724 CSERJKBVFBKYPR-UHFFFAOYSA-N 306.365 3.637 0 40 DHAB OC1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1 16237976 XBGGZCOVVVMHIO-UHFFFAOYSA-N 319.257 3.583 0 40 DHAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 17054258 PHKQYMXUJWJNNT-JFGNBEQYSA-N 317.355 3.561 0 40 DHAB Cc1ccc(NC(=S)NCCc2ccc(O)cc2)c(Cl)c1 17055593 GUGSVRKWYXWQAW-UHFFFAOYSA-N 320.845 3.883 0 40 DHAB C[C@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1 20025331 IRLKYVQJEYNHQK-LBPRGKRZSA-N 318.214 3.869 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCCC(C)(C)C1 20042190 FPLIRBSCDGXSMU-INIZCTEOSA-N 305.418 3.501 0 40 DHAB Cc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20137453 CFJORBLSLQQEMK-UHFFFAOYSA-N 307.349 4.000 0 40 DHAB COc1ccc2cc(C(=O)Nc3nc(C)cs3)c(C)nc2c1 23818945 FCIHULCLVGHQOM-UHFFFAOYSA-N 313.382 3.569 0 40 DHAB COc1ccc2nc(C)c(C(=O)NCc3ccc(C)cc3)cc2c1 26797238 QXZFBDMNXVXWOS-UHFFFAOYSA-N 320.392 3.790 0 40 DHAB CC(=O)c1ccccc1NC(=O)[C@H](C)Nc1ccc(C)cc1C 28744473 GSFRACFQLXSCGV-AWEZNQCLSA-N 310.397 3.945 0 40 DHAB CC[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1 30515501 KJCDKPDEAVBBSO-MRXNPFEDSA-N 319.408 3.796 0 40 DHAB COc1cccc(Nc2nc(C(C)C)nc3c(C)nn(C)c23)c1 32651033 FWDQEDVIOFFZMF-UHFFFAOYSA-N 311.389 3.547 0 40 DHAB COc1ccccc1Nc1nc(C(C)C)nc2c(C)nn(C)c12 32651144 MSBCSHFIIHUTKE-UHFFFAOYSA-N 311.389 3.547 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 32738302 PVLQSYDZAWGWLS-ZIAGYGMSSA-N 323.396 3.516 0 40 DHAB Cc1ccc(OC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 32971910 FQWUNHNMNOBMRW-UHFFFAOYSA-N 309.365 3.871 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCCC[C@H]2C)c1 36408639 RPLRJQNMFZPNEH-SJORKVTESA-N 305.462 3.733 0 40 DHAB Cc1cccc(OCC(=O)Nc2nc(-c3ccco3)cs2)c1 40111391 OJBBVJRBFGWAGK-UHFFFAOYSA-N 314.366 3.729 0 40 DHAB Cc1nc(C2(NC(=O)c3cc(C)sc3C)CCCCC2)no1 41933719 LTVVEWOAVQAHMU-UHFFFAOYSA-N 319.430 3.646 0 40 DHAB O=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(Br)cc1 43879064 MIAFCGSAOYFALU-GXSJLCMTSA-N 311.175 3.523 0 40 DHAB Cc1cc(CNC(=O)Nc2ccccc2-n2cccn2)ccc1F 48152172 YFDPDZLYWBLNII-UHFFFAOYSA-N 324.359 3.642 0 40 DHAB Cc1cc(NC(=O)NCc2ccc(Cl)cc2Cl)no1 48388391 NWQQCYRVMFYTIN-UHFFFAOYSA-N 300.145 3.612 0 40 DHAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1ccc2nccnc2c1 49548524 OKZTXTWTSGNIJN-LBPRGKRZSA-N 321.384 3.705 0 40 DHAB COc1cc(Br)ccc1-c1ccc(/C=C/C(=O)O)o1 57353759 FIPMLNKYPHSRJJ-QPJJXVBHSA-N 323.142 3.816 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2CN(C)C)C1(C)C 58086862 IZNOMXSITZRZIS-QZTJIDSGSA-N 314.473 3.603 0 40 DHAB COc1cccc(OC)c1OCc1nc(-c2ccco2)oc1C 58356654 JEMIMOCUWOXORT-UHFFFAOYSA-N 315.325 3.839 0 40 DHAB CCC[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 69703814 IUXLYECLRJBZAW-GJZGRUSLSA-N 308.491 3.513 0 40 DHAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(O)c(Cl)c1 71283437 BUWNJXOSVXAHQC-SNVBAGLBSA-N 305.765 3.947 0 40 DHAB Cc1ccc2cnn(CCCNC(=O)c3sccc3C)c2c1 72239510 GFQFKACGWKNCAI-UHFFFAOYSA-N 313.426 3.535 0 40 DHAB CCOc1cc(C(=O)NCc2cccs2)cc2occc12 72240107 JKHSJMNAPMKMMS-UHFFFAOYSA-N 301.367 3.823 0 40 DHAB COc1cc(C(C)=O)ccc1O[C@H](C)c1nc(C(C)C)no1 72296232 CTQKOQJDOIJZIN-LLVKDONJSA-N 304.346 3.544 0 40 DHAB CC[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(OC)cc1 75105319 GIJYFXYJAIRVRV-CQSZACIVSA-N 323.314 3.994 0 40 DHAB CCNc1c(NC(=O)c2cccs2)c(=O)oc2ccccc12 84460059 KGQBVQBIWFESTC-UHFFFAOYSA-N 314.366 3.539 0 40 DHAB O=C(c1cscn1)N(CC(F)F)c1cccc(Cl)c1 84803614 YSCKNCFZGJXQMO-UHFFFAOYSA-N 302.733 3.708 0 40 DHAB CCOC(=O)c1cnc2c(C)ccc(F)c2c1Br 85386413 ZTHCYGPYVAJQKT-UHFFFAOYSA-N 312.138 3.622 0 40 DHAB O=C(O)c1ccc(Nc2nccc(Nc3ccccc3)n2)cc1 87613207 BUKMSYYNNHEANR-UHFFFAOYSA-N 306.325 3.662 0 40 DHAB in-vitro CC[C@H](Cc1cccs1)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 95969020 QKFLPTYSNMBLRL-DHYLWCPWSA-N 313.532 3.739 0 40 DHAB COc1ccc(C(=O)Nc2nc(-c3ccsc3)ns2)cc1 96346152 VTYNWGWSUZCKHI-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB CC(C)C(=O)Nc1ccc(N[C@@H](C)c2cncc(F)c2)cc1 97037089 GRCOEVKZDQJSBY-LBPRGKRZSA-N 301.365 3.988 0 40 DHAB COCc1ccc([C@@H]2CCCN2C(=O)NCCC2=CCCC2)o1 97161839 PGVWQOYFMBHQRK-INIZCTEOSA-N 318.417 3.773 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2cccs2)on1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988455 PUSWQNOSDFODDA-LPWJVIDDSA-N 316.426 3.958 0 40 DHAB CC(C)(NCc1nccs1)c1ccccc1Br 179328362 RDKJTEDWSGHMGT-UHFFFAOYSA-N 311.248 3.931 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)cc1 218971109 WKIPSDYVZONJFT-HNNXBMFYSA-N 315.388 3.650 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2cccs2)cc1Cl 223009268 ZVMQMGNPSFJRNI-UHFFFAOYSA-N 323.801 3.759 0 40 DHAB CCC[C@H](C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 223173309 KBVWBWBHXSSKCL-ZDUSSCGKSA-N 313.463 3.594 0 40 DHAB COc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C 223249751 LXCUTDSAKIARGO-OAHLLOKOSA-N 323.436 3.912 0 40 DHAB S=C(Nc1ccc(Sc2ccccc2)nc1)NC1CC1 224032030 QOTZJSKMOVDLLC-UHFFFAOYSA-N 301.440 3.682 0 40 DHAB CCN(CCCNC(=O)c1cccc(F)c1)c1ccc(C)cc1 224959926 RXWRQRBEDKWPHW-UHFFFAOYSA-N 314.404 3.781 0 40 DHAB CCOC(=O)c1cc(NC(=S)N[C@H](C)CC)ccc1Cl 225273063 UAUJHVZLIJXVNN-SECBINFHSA-N 314.838 3.602 0 40 DHAB O=C1CCCc2cc(NC(=O)c3ccc(Cl)s3)ccc2N1 227169474 ZPJSNJLSLVYRFZ-UHFFFAOYSA-N 320.801 3.929 0 40 DHAB Cc1cccc2c(C[C@H](C)NC(=O)C3[C@@H]4CCCC[C@@H]34)c[nH]c12 248340250 UOFWCCIUSSTCHU-IAOVAPTHSA-N 310.441 3.960 0 40 DHAB Fc1cc2cc(Br)ncc2cc1Br 584606164 IQFKOIBAKUVFLU-UHFFFAOYSA-N 304.944 3.899 0 40 DHAB COC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc(C)c1C 46853 WHJWNSIJOMJGNI-UHFFFAOYSA-N 309.431 3.772 0 40 DHAB CCOC(=O)c1sc2sc(C(=O)OCC)c(C)c2c1C 125537 YAXDOYDXLOMMIU-UHFFFAOYSA-N 312.412 3.933 0 40 DHAB biogenic Nc1ccc(C(=O)OCc2nc3cc4ccccc4cc3[nH]2)cc1 247963 MUNXPFPYDLZAKA-UHFFFAOYSA-N 317.348 3.655 0 40 DHAB CCC(NC(=O)OC1CCCC1)(C(F)(F)F)C(F)(F)F 1001343 LVTZJQKMRVCCHX-UHFFFAOYSA-N 307.234 3.929 0 40 DHAB biogenic Brc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1 1020523 NAZNNDAVDJJFFX-UHFFFAOYSA-N 312.170 3.736 0 40 DHAB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)C1CCC1 2136347 ZIFCIQORDYNJHC-UHFFFAOYSA-N 303.214 3.607 0 40 DHAB COc1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1 2640767 OIJOMGYPWBPKQH-UHFFFAOYSA-N 324.207 3.861 0 40 DHAB COC(=O)c1ccn(CSc2cc(Cl)ccc2Cl)n1 2786286 FRGLCWHKKRPYAJ-UHFFFAOYSA-N 317.197 3.726 0 40 DHAB COc1cccc(-c2nc3c4c(C)c(C)sc4ncn3n2)c1 2791422 FTOSYQTVNVYHJD-UHFFFAOYSA-N 310.382 3.631 0 40 DHAB Cc1ccccc1N1C[C@](O)(c2ccccc2)[N+]2=C1CCCCC2 2974630 ODAHCXRWMZFEPH-NRFANRHFSA-N 321.444 3.645 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)COc1cccc(Cl)c1 3516040 JMCXGCOCFAYAJC-AWEZNQCLSA-N 317.816 3.856 0 40 DHAB CC[C@@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCCC3 4302374 SSFGXJUQSGGKBG-FQEVSTJZSA-N 308.425 3.861 0 40 DHAB COc1cc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)ccc1O 4458714 MTNVLDROQYGFMD-LJQANCHMSA-N 321.380 3.854 0 40 DHAB O=C1CCC2=C3[C@H]4[C@@H](CCC[C@H]4C(=O)[C@H]4CCCC[C@@H]34)O[C@H]2C1 5049450 VETBAJOOAOCRGE-YYLJFWHLSA-N 314.425 3.609 0 40 DHAB CCc1nc2ccccc2n1C[C@H](O)COc1c(C)cccc1C 5386496 URLWDJWMQGWYES-INIZCTEOSA-N 324.424 3.655 0 40 DHAB Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 5740901 QHWNKKSKEPCTIY-UHFFFAOYSA-N 300.186 3.773 0 40 DHAB CCCCCC(=O)Nc1cccc(Cl)c1N1CCOCC1 6569750 SIPCISKDVGZSDA-UHFFFAOYSA-N 310.825 3.695 0 40 DHAB CCc1ccc(-c2n[nH]c(SCc3c(C)noc3C)n2)cc1 6604764 XKJAUYQTEWNDFT-UHFFFAOYSA-N 314.414 3.931 0 40 DHAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2)o1 7602127 HUSDETOTLNNDBP-UHFFFAOYSA-N 314.414 3.897 0 40 DHAB CSCc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 7705482 DADUGZFZOWEBIG-INIZCTEOSA-N 313.422 3.803 0 40 DHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C)ccc1C 8326761 MXNMXLIVFYNLPX-UHFFFAOYSA-N 311.381 3.696 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1Br 8360424 YAYHRCOYDZGVMU-VIFPVBQESA-N 324.174 3.542 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 8429945 KPRQMOYGZDKBQF-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB CCOC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 9827805 IQNYRSOGZCCMSP-UHFFFAOYSA-N 312.325 3.637 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)N1CCc2sccc2C1 10035883 GTIKESGZNNALAR-CQSZACIVSA-N 314.454 3.837 0 40 DHAB Cc1nc(/C=C/C(=O)Nc2ccccc2OC(F)F)cs1 11479737 LMYSHNBQFNQIAL-VOTSOKGWSA-N 310.325 3.705 0 40 DHAB Cc1cccc(NC(=O)N[C@H](c2ccccc2)c2nccn2C)c1 12538833 AOZOGRNDEJVEPN-QGZVFWFLSA-N 320.396 3.640 0 40 DHAB O=C(CNc1cccc2c1CCCC2)N1CCc2ccccc21 15123161 AWUWXVIXTHWYDJ-UHFFFAOYSA-N 306.409 3.567 0 40 DHAB Fc1ccccc1Cc1nnc2sc(-c3ccccc3)nn12 19909976 AHECAPNRDLDVMS-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 23530222 NOTPDESUEFKEJY-CABCVRRESA-N 313.397 3.648 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 29567504 BBMMIUSETVJDSV-OAHLLOKOSA-N 318.417 3.641 0 40 DHAB CC(=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)s1 32768021 WSXAVYQMRLAJCO-UHFFFAOYSA-N 303.427 3.649 0 40 DHAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)s1 32885737 POQBTWPYDGBRMA-UHFFFAOYSA-N 320.439 3.928 0 40 DHAB O=C(Nc1ccc(F)cc1)c1cnn(-c2ccc(Cl)cc2)c1 35481157 QABDZTVBGZSEDY-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CCOc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@H]2C1 36446986 WLKDIYJMYUEKKD-HOTGVXAUSA-N 316.445 3.536 0 40 DHAB CC(C)c1nn(C)cc1CN[C@@H]1CCSc2ccccc21 37316099 UQPLDNDHANTEIZ-OAHLLOKOSA-N 301.459 3.870 0 40 DHAB CCc1c(C(=O)Nc2ccc(OC)cc2)cnn1-c1ccccc1 40068057 FOIQXVHCCUSGKR-UHFFFAOYSA-N 321.380 3.696 0 40 DHAB COC(=O)c1ccc(Nc2ccc(Br)cc2)c(N)c1 41081532 PAPIRJDLJGCRKH-UHFFFAOYSA-N 321.174 3.562 0 40 DHAB c1ccc2nc(Sc3nnc(C4CC4)n3C3CC3)cnc2c1 41873315 DFLQBGVKULTNCT-UHFFFAOYSA-N 309.398 3.585 0 40 DHAB COc1ccc(CN(C)C(=O)c2cccc(C(F)(F)F)c2)cc1 44818756 CBWPWDYHIXFQCH-UHFFFAOYSA-N 323.314 3.986 0 40 DHAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)n[nH]2)cc1 44838543 HVVVQWAPRFYMJX-UHFFFAOYSA-N 305.381 3.657 0 40 DHAB OC1(CNCc2c[nH]nc2-c2ccc(Cl)cc2)CCCCC1 58171221 LGKHRIDVSUBRQA-UHFFFAOYSA-N 319.836 3.515 0 40 DHAB CC[C@H](C)NC(=S)Nc1ccc(Br)cc1F 59115077 OPURFUKFAFBKDI-ZETCQYMHSA-N 305.216 3.673 0 40 DHAB Cc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c(F)c1 67801073 KYQQHMLINDKHGT-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)CC(C)C)c(C)c1 68547424 NVNIIEHEZTXUSR-AWEZNQCLSA-N 319.449 3.643 0 40 DHAB CN(C(=O)[C@@H]1CCOc2ccccc21)c1nc2ccccc2s1 69530718 IKDJVKSSGUQEQY-CYBMUJFWSA-N 324.405 3.825 0 40 DHAB CCCOC(=O)c1cc(N)c(N2CCCC[C@H]2C)c(Cl)c1 70462598 XRMRLIKXJRQIJY-LLVKDONJSA-N 310.825 3.868 0 40 DHAB Cc1nc(/C=C/C(=O)N(Cc2ccc(F)cc2)C2CC2)cs1 71186480 PWTBWPRZRBUTQX-RMKNXTFCSA-N 316.401 3.795 0 40 DHAB Cc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cn1 76067164 QVEIGTBWGITOGH-OAHLLOKOSA-N 312.438 3.644 0 40 DHAB C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)c1ccccn1 78663377 OLGMZCHMTRJHQP-AWEZNQCLSA-N 322.412 3.556 0 40 DHAB OCC1CCN(Cc2cccc(NCc3ccsc3)c2)CC1 84374483 KYZIWEDGRATOED-UHFFFAOYSA-N 316.470 3.565 0 40 DHAB O=C(Nc1ccccc1)N1CCN(C2CC2)C[C@@H]1c1ccccc1 85472660 MUYRVJSZJIGAKW-LJQANCHMSA-N 321.424 3.740 0 40 DHAB Cc1ccc(CNC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)s1 95436849 CBQLUSDHTJVQMO-GFCCVEGCSA-N 318.442 3.535 0 40 DHAB CC/C(=C/c1nc(Cc2noc(C)n2)no1)c1ccc(C)cc1 95962318 ZLQDDQANFFEHMP-LCYFTJDESA-N 310.357 3.611 0 40 DHAB CCO[C@@H](C)c1nc(-c2ccc(CNC(C)=O)s2)cs1 96433577 QKBWMOAMZQAANW-VIFPVBQESA-N 310.444 3.605 0 40 DHAB CC(C)n1ccnc1CN[C@@H](C)c1cccc(-n2cccn2)c1 96491842 JBFWKUHEWQZDOD-HNNXBMFYSA-N 309.417 3.501 0 40 DHAB CCNC(=O)c1cc(NCc2ccccc2C)nc2ccccc12 97165698 GRPNRXLAFYEKPO-UHFFFAOYSA-N 319.408 3.905 0 40 DHAB S=C(N[C@H]1CCSc2ccccc21)N[C@@H]1C[C@H]2CC[C@H]1C2 102359408 WPVCUNQECNSURB-NZBPQXDJSA-N 318.511 3.876 0 40 DHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(F)cc1 113970018 CMVPRKRFXUBHSD-KRWDZBQOSA-N 315.388 3.916 0 40 DHAB FC(F)(F)Oc1ccc(-c2ncc(Br)cn2)cc1 113988763 HJLYSDKMGXZOPR-UHFFFAOYSA-N 319.080 3.805 0 40 DHAB Cc1cccc(O)c1NC(=O)Cc1ccccc1C(F)(F)F 179562881 PNVRFKDENPNQRY-UHFFFAOYSA-N 309.287 3.901 0 40 DHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)s1 222813738 SHGAWPDJKNDGGW-HUUCEWRRSA-N 317.483 3.832 0 40 DHAB CN(c1cccc(F)c1)S(=O)(=O)c1ccc2ccccc2c1 225057398 BGADPCITPLULKK-UHFFFAOYSA-N 315.369 3.804 0 40 DHAB CC1(C)C[C@H](NC(=S)Nc2cccnc2)c2ccccc2O1 225579531 YVQJYXJCCWBXAI-AWEZNQCLSA-N 313.426 3.670 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccccc1F 225581313 SNAYEQBCNPZXHV-CQSZACIVSA-N 323.481 3.767 0 40 DHAB CCC(CC)[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257244453 ILJSTHVMIWSBDD-ZQOJQMTGSA-N 307.478 3.769 0 40 DHAB CCCN1C(=O)N/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409236630 SKXNTFAIMYPVPN-GHRIWEEISA-N 322.364 3.782 0 40 DHAB O=C(NCc1cncc(C2CC2)c1)c1c(F)cccc1Cl 575619148 HLJYHKBRVJIRDK-UHFFFAOYSA-N 304.752 3.682 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CCC(c2ccc3cccnc3n2)CC1 655265868 NUPMDERLNPCSCF-QGZVFWFLSA-N 321.424 3.692 0 40 DHAB CCC(CC)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 655265941 QOFHJVBPLQMFJF-UHFFFAOYSA-N 311.429 3.772 0 40 DHAB Cc1cc(CNC[C@H](C)c2c(C)noc2C)c2c(n1)CCCC2 893178964 JEMCYUZRCXIEQA-LBPRGKRZSA-N 313.445 3.767 0 40 DHAB CC(=O)Nc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1 2037843731 GJPBNCHYHIHOMT-JJONHVJLSA-N 317.429 3.518 0 40 DHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(C)c1 545792 BZEUXNBPAOLZAS-UHFFFAOYSA-N 322.364 3.824 0 40 DHAB COC(=O)[C@H]1C(=O)c2ccccc2[C@H](C)[C@@H]1c1ccccc1C 1691200 RJIJKMUULKLTHQ-MORSLUCNSA-N 308.377 3.868 0 40 DHAB CCCCc1cc(C(=O)Cc2csc(C)n2)c(O)cc1O 1886797 ZUBFDQVPEIEKJL-UHFFFAOYSA-N 305.399 3.631 0 40 DHAB biogenic Cc1cc(C)c2/c(=N/C[C@@H](C)O)cc(-c3ccccc3)oc2c1 1892287 VRKRUUVCLPQTQW-OTUOZYHDSA-N 307.393 3.998 0 40 DHAB CCc1cccc(CC)c1NC(=O)COc1ccccc1OC 3383436 LVTAAJYQGVNNAG-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB C[C@H](NC(=O)Cc1cccs1)c1ccc(Br)cc1 7645508 UOCAERPFJPAZKX-JTQLQIEISA-N 324.243 3.931 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(F)cc1 7775447 NFCYMVHQCINBSD-GFCCVEGCSA-N 309.344 3.707 0 40 DHAB O=C(CC1CCCCC1)Nc1ccnn1Cc1cccs1 7985424 UUHDDIGPFNVFHF-UHFFFAOYSA-N 303.431 3.902 0 40 DHAB Cc1nnc(SCc2nc3ccccc3s2)n1C1CC1 8072276 TUWKILIDSSGOOU-UHFFFAOYSA-N 302.428 3.823 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc(C)nc3c2)c1 8110307 IYXOTENNPZDUEB-UHFFFAOYSA-N 316.382 3.554 0 40 DHAB Cc1nc(SCC(=O)Nc2nc3ccccc3s2)oc1C 8333339 BXTBFMXGQDQEMA-UHFFFAOYSA-N 319.411 3.632 0 40 DHAB O=C(c1ccc(-n2cccn2)cc1)N1CC[C@H]2CCCC[C@H]2C1 8340799 COWOELBGZXKGSO-WBVHZDCISA-N 309.413 3.525 0 40 DHAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCC(=O)N2 9498596 FKTRPOLZFNCTLW-UHFFFAOYSA-N 314.772 3.785 0 40 DHAB C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H](O)c1ccc(O)cc1 9591886 UUHKXPRLUBBUFM-NZLBXHEYSA-N 303.446 3.763 0 40 DHAB Cc1cccc(CC(=O)NCc2cc(-c3ccccc3)on2)c1 12235446 ZAFKQQCMQAXMCC-UHFFFAOYSA-N 306.365 3.509 0 40 DHAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccccc1 14076316 XJCMTSBMSPRJIU-ZDUSSCGKSA-N 323.421 3.625 0 40 DHAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)Nc1cc(F)ccc1F 14187948 JCJAWLLBYQEIGJ-NSHDSACASA-N 322.330 3.735 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1ccc(Cl)cc1Cl 14737570 DPWGGHHFEANUPK-UHFFFAOYSA-N 320.179 3.982 0 40 DHAB C[C@H](NC(=O)CN1c2ccccc2CC[C@H]1C)c1cccs1 15304135 FXLOZPSAWBTUOI-KGLIPLIRSA-N 314.454 3.767 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCc2ccccc2C1=O 19083210 YOSCDMNSILJRMJ-CVEARBPZSA-N 315.413 3.831 0 40 DHAB C[C@H]1C[C@@H](C)CN([C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)C1 20729165 ZKVWTHGVYYKKBU-OHUAYANFSA-N 320.820 3.925 0 40 DHAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)C1CC1 20899944 NPINATUUZNTKRU-UHFFFAOYSA-N 305.337 3.752 0 40 DHAB CCc1ccc(C(=O)[C@H](C)Sc2nc(C3CC3)n[nH]2)cc1 22239664 QHLWKUAGYIORLP-JTQLQIEISA-N 301.415 3.608 0 40 DHAB CC[C@H](C(=O)NCc1ccccc1CN(C)C)c1ccccc1 22695397 ZFUKOQRJEUQXHV-IBGZPJMESA-N 310.441 3.558 0 40 DHAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1ccco1 23732505 GOLVJJBUTQYCIU-LLVKDONJSA-N 301.321 3.662 0 40 DHAB Cc1noc(C)c1C(=O)N1CC[C@H](C)Sc2ccccc21 24584992 VKHOYQIGUPPAPO-JTQLQIEISA-N 302.399 3.823 0 40 DHAB Cc1cccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 25453587 BGXCGGPIKVCIHE-IBGZPJMESA-N 324.424 3.973 0 40 DHAB O=C(NCCc1ccccc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 26294131 LLJICXMXERTZKL-UONOGXRCSA-N 314.351 3.649 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CN(C)[C@@H](C)C(C)(C)C)cc1C 27134467 NXNUNTBCTJCGTI-HOTGVXAUSA-N 304.478 3.847 0 40 DHAB CC12CN3CC(C)(CN(C1)C3c1c[nH]c3cc(Cl)ccc13)C2 32123814 RMOQRZWGASUDQO-UHFFFAOYSA-N 315.848 3.867 0 40 DHAB biogenic Cc1ccc(C(=O)NCc2ccccc2CN(C)C(C)C)s1 32925019 RRZQZPJCIOUMIW-UHFFFAOYSA-N 316.470 3.827 0 40 DHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1nc2ccccc2s1 38717025 ZWZVUPSKOMYCEA-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(C(C)C)cccc21 39198769 JHGYMRJCQPQYJB-SFHVURJKSA-N 301.386 3.944 0 40 DHAB in-vitro C[C@@H]1CCc2c(sc3ncnc(NCc4nccs4)c23)C1 40118724 KFAAFTAPPXCHSY-SECBINFHSA-N 316.455 3.885 0 40 DHAB CCOc1ccc([C@@H](O)c2ccccc2Br)cc1 40244577 PCHHHKDGSFCSBC-OAHLLOKOSA-N 307.187 3.930 0 40 DHAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccc(F)cc2)C1 40287850 ZRJUHJYZPIHPNO-CQSZACIVSA-N 308.316 3.530 0 40 DHAB O=C1Cc2ccccc2N1Cc1ccc(Br)cc1 41514996 HGYNNUZWHBHUML-UHFFFAOYSA-N 302.171 3.538 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1ccncc1 43184674 POINJXPFXZSMNG-DOMZBBRYSA-N 315.442 3.923 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCC[C@H](C(F)(F)F)C1 44966757 DXLJJSQHSRSJSF-BDAKNGLRSA-N 319.352 3.723 0 40 DHAB Cc1cc(C(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)on1 48367876 LBFVPFRIXPMZOZ-CQSZACIVSA-N 313.401 3.610 0 40 DHAB Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)o1 49169338 JWXTWMQTVOTBJE-HNNXBMFYSA-N 309.369 3.628 0 40 DHAB biogenic,in-vitro Cc1occc1-c1nnc(S[C@H](C)c2nc(C3CC3)no2)o1 53438445 XPGHLKAIBCFLGQ-MRVPVSSYSA-N 318.358 3.752 0 40 DHAB COCc1c(C(=O)Nc2cc(C(C)C)n[nH]2)oc2ccccc12 58141355 UITIMDULDOTTFO-UHFFFAOYSA-N 313.357 3.678 0 40 DHAB Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 59349864 IXIYNMZHSHNSMX-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2F)c(C)c1 59351700 HQJSBAFYGKSJHP-CQSZACIVSA-N 301.361 3.699 0 40 DHAB Cc1cc(NC(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)no1 65514990 ZZFSHEMVEXWGTC-LBPRGKRZSA-N 313.279 3.750 0 40 DHAB Cc1nc(-c2ccc(OCc3noc(C4CC4)n3)cc2)cs1 67100035 DOXYSCGPIFAWMZ-UHFFFAOYSA-N 313.382 3.958 0 40 DHAB O=c1[nH]c(Cc2ccccn2)nc2ccc(-c3ccccc3)cc12 69558156 WZRHFVKQFAEEKH-UHFFFAOYSA-N 313.360 3.576 0 40 DHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCCSCC1 71808621 RHSZSMYESXTEQD-UHFFFAOYSA-N 317.414 3.676 0 40 DHAB Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N(C)CCO 71911838 CMABLZUPBZLIMQ-UHFFFAOYSA-N 318.804 3.771 0 40 DHAB c1ccc(Cc2cccc([C@H]3CCCN3C3CCOCC3)n2)cc1 72358151 KJFKQSIWOYDXIV-OAQYLSRUSA-N 322.452 3.988 0 40 DHAB CC(C)(CO)CCCn1cncc1-c1cnn(-c2ccccc2)c1 72399283 PWFOIVNZHPTCQY-UHFFFAOYSA-N 324.428 3.535 0 40 DHAB C[C@H]1CCC[C@@H](N(C)C(=O)c2coc(Br)c2)C1 78270061 VXLQFEMFBXXAOQ-GXSJLCMTSA-N 300.196 3.693 0 40 DHAB CS[C@H]1CC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1 80847690 HYCMOAINJBBGBA-KOLCDFICSA-N 303.880 3.734 0 40 DHAB Clc1ccc(N2CCCC2)c(NCc2noc(C3CC3)n2)c1 86203925 YUTMTQUMXSQONN-UHFFFAOYSA-N 318.808 3.813 0 40 DHAB c1ccc(-c2cc(CN3CCCC[C@H]3c3ncc[nH]3)[nH]n2)cc1 92730136 ILJOBEVFPDTXHV-KRWDZBQOSA-N 307.401 3.527 0 40 DHAB C[C@H]1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@H]2O1 96043635 LCVJGQWAVQGINB-ITDIGPHOSA-N 319.788 3.726 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C 96659208 CKHBOWBMEZWFAN-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB Cc1cnc(CNc2cnc3cc(Cl)c(Cl)cc3n2)o1 97082576 OBUHUAHEHMYFMN-UHFFFAOYSA-N 309.156 3.845 0 40 DHAB CCOc1ccccc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100770368 NFCHIEMHEMRJDZ-OALUTQOASA-N 315.413 3.809 0 40 DHAB O=C1Nc2ccccc2[C@H]1Cc1ccccc1OC(F)(F)F 101658923 MIUHUZKJYJKHTQ-GFCCVEGCSA-N 307.271 3.864 0 40 DHAB C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1 107152557 OERBCTOEIDCJQR-GFCCVEGCSA-N 318.214 3.869 0 40 DHAB C[C@@H](c1ccccc1)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 116597075 ZRRQJEOGSURZRN-XIRDDKMYSA-N 316.445 3.689 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1C 224037772 IAJSPLVXUORBGG-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB O=C(Nc1cccc(F)c1)c1cnn(-c2ccc(Cl)cc2)c1 224055875 QQCVQBXYSNRPQW-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB C[C@@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 224171981 PDXGXWCZXIWXQU-ZDUSSCGKSA-N 323.845 3.563 0 40 DHAB COc1ccc(CC(=O)NCCCc2cccc(C)c2)cc1C 224498824 DBDKPTOAADELAW-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB O=C(/C=C/c1cccs1)NCc1ccc(-c2ccco2)nc1 225751046 NYNCPBMSRJVEOU-SOFGYWHQSA-N 310.378 3.733 0 40 DHAB CC(C)n1cccc1CNC(=O)c1ccc2nc(Cl)oc2c1 225984385 ACBDLDUUCHOYPG-UHFFFAOYSA-N 317.776 3.794 0 40 DHAB COC(=O)c1c(OC)cc(C(F)(F)F)cc1C(F)(F)F 575340671 VQLGJCCCLKLVFG-UHFFFAOYSA-N 302.170 3.519 0 40 DHAB Cc1noc(C)c1C(=O)NCc1ccc(-c2ccsc2)o1 575610421 MMEUNOZEHHGSOK-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB Cc1cccc(CN(C)[C@H](c2ccccc2)c2nc[nH]n2)c1C 585117391 ZZMMIMMOMVDICA-GOSISDBHSA-N 306.413 3.643 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN([C@@H]2CCSC2)C1 1888853638 ZDQAKYNSAMRDNB-CYBMUJFWSA-N 301.459 3.522 0 40 DHAB Nc1ccc2cc(Br)ccc2c1Br 1598626 YFTPQCFVHFJWSA-UHFFFAOYSA-N 300.981 3.947 0 40 DHAB CCc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1 1987230 IBFHPIYLJNZMKO-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccccc1 3262996 OUEOGUPNPJFMAC-UHFFFAOYSA-N 301.773 3.619 0 40 DHAB Cc1ccccc1NC(=O)CSc1ncnc2ccccc12 3280587 MKGHHAGWIZFGHX-UHFFFAOYSA-N 309.394 3.669 0 40 DHAB CCN(CC)c1ccc(NC(=O)Cc2cccc(OC)c2)cc1 3548898 BOMMZSUDEUVKAP-UHFFFAOYSA-N 312.413 3.723 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccn2)cs1 4063146 DQDKRHWFGXHGNE-MDZDMXLPSA-N 307.378 3.857 0 40 DHAB CC(=O)N(Cc1cccnc1)c1nc2c(C)c(C)ccc2s1 4273280 FXXOXBLHGXUUAF-UHFFFAOYSA-N 311.410 3.861 0 40 DHAB C[C@@H]1CC[C@@H]([C@](O)(C(=O)c2ccccc2)c2ccccc2)C(=O)C1 5339615 GXTBEGWKZYADOA-FPDPHYFHSA-N 322.404 3.762 0 40 DHAB Cc1noc2ncnc(Sc3ccc(Br)cc3)c12 5724644 ARAJFNNRUIILLN-UHFFFAOYSA-N 322.187 3.840 0 40 DHAB O=C1CCCC[C@H]1Sc1nnc(NC2CCCCC2)s1 6077137 HWOJDHYJOWPGRY-GFCCVEGCSA-N 311.476 3.887 0 40 DHAB COc1cc(C(=O)Nc2ccccc2F)cc(Cl)c1OC 6627635 PSIJDQCWCKODLM-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB Cc1cc(C)c(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)c1 6902575 PZEPMFNUZCTSFE-WQRHYEAKSA-N 304.393 3.835 0 40 DHAB CC(=O)c1cccc(NC(=O)c2ccc(N3CCCC3)cc2)c1 7383037 IJBUXGQAQMIIGV-UHFFFAOYSA-N 308.381 3.742 0 40 DHAB CC1(C)Cc2cccc(OCC(=O)NC3CCCCCC3)c2O1 7453397 PLDRXULDKZUBAT-UHFFFAOYSA-N 317.429 3.618 0 40 DHAB COc1cccc(CC(=O)NCc2cccc(C(F)(F)F)c2)c1 7734526 KDPXVYJDFXNTTF-UHFFFAOYSA-N 323.314 3.573 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1F 7804817 ZOTSAHZVAOBISU-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB Cc1cc(COC(=O)c2ccc(C3SCCS3)cc2)no1 7833845 BEKGIUNZGTWPCL-UHFFFAOYSA-N 321.423 3.819 0 40 DHAB COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1F 7922605 UILMHHKFXKCEHN-UHFFFAOYSA-N 316.357 3.625 0 40 DHAB CC(=O)c1c(C)cc(C)c(CNc2ccccc2C(N)=O)c1C 12516778 NBGHNFNXENVWGJ-UHFFFAOYSA-N 310.397 3.525 0 40 DHAB Cc1nc2cc(NC(=O)c3cn(C)c4ccccc34)ccc2o1 12527201 QUGLFZZFLWKOBD-UHFFFAOYSA-N 305.337 3.880 0 40 DHAB CCN(CC)C(=O)c1cc(-c2ccncc2)nc2ccccc12 12537832 BJNGWZJDEUNHMS-UHFFFAOYSA-N 305.381 3.779 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)cc1F 12787324 KROOWGLHCUYJTQ-UHFFFAOYSA-N 303.764 3.941 0 40 DHAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)C(=O)CC(C)(C)O2 12896258 PERTYZOOFQREIS-UHFFFAOYSA-N 312.365 3.724 0 40 DHAB biogenic CCCOc1ccc2ccccc2c1/C=C1\SC(=O)NC1=O 13843840 WIWDZNZJLUFUSQ-GDNBJRDFSA-N 313.378 3.953 0 40 DHAB O=c1c2ccsc2ncn1Cc1ccc(C(F)(F)F)cc1 15395117 BDGGWEDMCIOGRZ-UHFFFAOYSA-N 310.300 3.525 0 40 DHAB CCc1ccc(Nc2cc(C)nc3nc(-c4ccco4)nn23)cc1 15780343 AHODCOPZNCMDFP-UHFFFAOYSA-N 319.368 3.999 0 40 DHAB CCCSc1nc(=O)n(-c2cccc(C)c2)c2c1CCC2 15840557 YHCMTOGIUFPAQS-UHFFFAOYSA-N 300.427 3.532 0 40 DHAB O=c1oc(-c2ccc(Cl)cc2)nc(O)c1Cc1ccccc1 19596964 YYXKGYMGTTZLSS-UHFFFAOYSA-N 313.740 3.652 0 40 DHAB Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 19736309 VCDAWJJTYYMRON-LLVKDONJSA-N 304.777 3.637 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)N(C)c2ccccc2)cc1 19932060 SKANZSHMIUJOAU-ZDUSSCGKSA-N 301.411 3.839 0 40 DHAB O=C1Nc2ccccc2CC[C@H]1Sc1nc2ccccc2[nH]1 20744895 HPXIYVGXCFUQJI-OAHLLOKOSA-N 309.394 3.609 0 40 DHAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1C 22250601 XGQBQVVCAASSSF-UHFFFAOYSA-N 303.789 3.977 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)cc12 22685128 KHIXPWZUJFHJDJ-BXUZGUMPSA-N 301.390 3.655 0 40 DHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc2ccccc2[nH]1 24886515 PMDFMLNGTPEQKO-UHFFFAOYSA-N 302.337 3.810 0 40 DHAB Cc1cccc(NCC(=O)N[C@H](C)c2ccc(F)cc2)c1C 25596636 YQVPKIGRXAMPKB-CQSZACIVSA-N 300.377 3.732 0 40 DHAB CCCOc1ccccc1C(=O)Nc1onc2c1CCCC2 27584723 OMBOQDOFVIFPTA-UHFFFAOYSA-N 300.358 3.595 0 40 DHAB Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)c(F)c1 28064796 RRBIENNOJHYOSV-UHFFFAOYSA-N 322.343 3.920 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)c(C)c1 31721939 QGQGZPPABRHTSJ-UHFFFAOYSA-N 314.410 3.894 0 40 DHAB Cc1ccc(CNC(=O)NCc2ccc(C)c(F)c2)cc1F 31728180 LXSBKBLRSUBCFG-UHFFFAOYSA-N 304.340 3.581 0 40 DHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(F)cc1Cl 32931287 XNHJQEKZJREILV-NHYWBVRUSA-N 313.800 3.804 0 40 DHAB Clc1cnc(Cl)c(Cl)c1I 36532828 IPDPWUULSOOSCC-UHFFFAOYSA-N 308.333 3.646 0 40 DHAB O=C(CCc1csc(-c2ccccc2)n1)N1CCCCC1 41191879 MXYBDTWQHWSZTK-UHFFFAOYSA-N 300.427 3.755 0 40 DHAB Cc1nc2ccccc2n1CC(=O)N[C@H](c1ccccc1)C1CC1 42080418 LBCSSMVFWAEKTG-HXUWFJFHSA-N 319.408 3.612 0 40 DHAB CCOC(=O)c1c(NC(=O)OC(C)(C)C)[nH]c2ccccc12 44136811 UQCCBKFSBGPNMA-UHFFFAOYSA-N 304.346 3.692 0 40 DHAB CCOc1ccc(Oc2cc(CNc3ncccn3)ccn2)cc1 52486177 CYMPUNPEVPANGU-UHFFFAOYSA-N 322.368 3.675 0 40 DHAB CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2cccs2)c1 55339787 BRHOPKKUADEWCH-UHFFFAOYSA-N 323.805 3.682 0 40 DHAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1)CO3 55393828 OCEDPFKHBQSGOV-UHFFFAOYSA-N 321.376 3.762 0 40 DHAB O=C(CSCc1ccccc1F)NCCCc1ccccc1 57679908 TZTZMAAWRPDIHJ-UHFFFAOYSA-N 317.429 3.808 0 40 DHAB C[C@H](c1cccc(F)c1)N1CCC(c2nnc3ccccn23)CC1 69324589 KYIQRMMOZPZMET-CQSZACIVSA-N 324.403 3.809 0 40 DHAB COC1CCN(C(=O)c2sc3sccc3c2Cl)CC1 71881419 NEWWUKXWGYBQID-UHFFFAOYSA-N 315.847 3.867 0 40 DHAB C[C@H]1CCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 72292859 KVEPKZOURQZPEW-SCLBCKFNSA-N 324.465 3.519 0 40 DHAB CCC(CC)c1cc(CNC(=O)CCc2ccc(F)cc2)on1 72296850 AFWJEDJHXZGYTI-UHFFFAOYSA-N 318.392 3.966 0 40 DHAB CCOc1ccc(S(=O)(=O)NCC(C)C)cc1[C@H](C)CC 72414543 IRKKZCBISHKFIH-CYBMUJFWSA-N 313.463 3.533 0 40 DHAB Cc1ccoc1C(=O)N[C@@H](C)c1nc(-c2cccnc2)cs1 75136654 WHTOUUZPFBBIOR-NSHDSACASA-N 313.382 3.598 0 40 DHAB C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](Cc1ccccc1)C1CC1 76988327 MUOOOORKZRJDPL-HNAYVOBHSA-N 323.440 3.805 0 40 DHAB Cc1csc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)n1 79481319 QBAYOVWUBKEZCH-UHFFFAOYSA-N 316.426 3.736 0 40 DHAB O=C(Nc1cc(C(F)(F)F)ccc1O)[C@H]1C[C@H]1c1cccnc1 81458865 YCSXCYYIRZGKQK-RYUDHWBXSA-N 322.286 3.548 0 40 DHAB Cc1cc(C(=O)N(CC(F)F)c2cccc(Cl)c2)no1 84116943 XRWLARUMPQMNJQ-UHFFFAOYSA-N 300.692 3.548 0 40 DHAB Cc1cc([C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 89580462 SSQFQZADRGIFRN-ZIAGYGMSSA-N 310.401 3.889 0 40 DHAB C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12 89894661 NTCZYRVLFOFYSH-ZDUSSCGKSA-N 306.365 3.559 0 40 DHAB CC(C)N(C)C(=O)NCc1cccc(COC2CCCC2)c1 95409940 KSBNTMVVRIPEJK-UHFFFAOYSA-N 304.434 3.696 0 40 DHAB CC(C)(C)c1n[nH]cc1CNc1ccc(Cn2cccn2)cc1 95428671 FHILTHNAOGBTSJ-UHFFFAOYSA-N 309.417 3.564 0 40 DHAB CCc1cc(OCC(=O)Nc2ccccc2)c2ccccc2n1 95445274 BXHIRMGKKWDJGE-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB C[C@@H]1CN(c2ccc(Br)cc2Cl)C[C@@H](C)O1 95915825 WGLIRYCILMKXIC-RKDXNWHRSA-N 304.615 3.716 0 40 DHAB Cc1ccc(C[C@H](C)NC(=O)N(C)[C@@H](C)c2ccncc2)s1 96415587 OEFDHVXMDRNHFK-JSGCOSHPSA-N 317.458 3.785 0 40 DHAB COc1cccc([S@](=O)Cc2ncc(Cl)cc2Cl)c1 97094857 LUGGSVINRBHJJQ-IBGZPJMESA-N 316.209 3.705 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NC[C@H](C)c1ccccc1 224616448 YCDLLOVYXHNXTI-WMLDXEAASA-N 315.388 3.903 0 40 DHAB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)C(C)C)cc2)CC1 225213890 PXANPXARFXANLY-INIZCTEOSA-N 302.462 3.693 0 40 DHAB COc1cccc(CCCNC(=S)Nc2ccc(C)cc2)c1 225552185 MSFJHMCTHDUBLQ-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB CCOc1cccc(NC(=S)NCCCOC2CCCC2)c1 225620062 LHVPICHBMSPSCT-UHFFFAOYSA-N 322.474 3.721 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)c(C)n1 225895122 RURGWXDWLPARCT-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB S=C(N[C@@H]1CCCc2ccccc21)N[C@@H]1C[C@H]2CC[C@H]1C2 254379674 FPTCJJAESGOLQE-GUDXXQAFSA-N 300.471 3.717 0 40 DHAB CC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CC(C)C 257280021 OJDNEIVVEVFRHO-SDAMIPCISA-N 307.478 3.769 0 40 DHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccs3)S2)cc1 408779580 YXMMAVXGNJWAIX-SCOADAFUSA-N 316.451 3.910 0 40 DHAB CCOC(=O)CCCC(=O)c1cc(Br)ccc1F 575362553 XMKWYENVQPCYBT-UHFFFAOYSA-N 317.154 3.504 0 40 DHAB O=C(CCc1cccc(Cl)c1)NCc1cncc(C2CC2)c1 575607126 YNIXJOSZWHMHOW-UHFFFAOYSA-N 314.816 3.861 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)[C@H]2CC=CCC2)C1 1888863792 RDKKJXDOASAGFT-HNNXBMFYSA-N 323.440 3.899 0 40 DHAB CC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 132237 RUTVUBFQAAQPFG-PSASIEDQSA-N 306.456 3.886 0 40 DHAB Cc1cc(C)nc(SCC(=O)Nc2cccc(Cl)c2C)n1 411248 AVJMRSMGQDMGPC-UHFFFAOYSA-N 321.833 3.786 0 40 DHAB O=c1c(-c2ccc3c(c2)OCCO3)coc2ccc(Cl)cc12 494930 KGRFESSVVHEDKY-UHFFFAOYSA-N 314.724 3.885 0 40 DHAB COc1ccc(-c2c(C)nn3c(Cl)c(C)c(C)nc23)cc1 1350552 QOPBAOHLZBMFCH-UHFFFAOYSA-N 301.777 3.984 0 40 DHAB Cc1ccc(C)c(N2C(=O)CN=C2Nc2ccccc2Cl)c1 1360512 VBGQYRDYUNMNBA-UHFFFAOYSA-N 313.788 3.772 0 40 DHAB CN(Cc1ccccc1)c1c(Cl)cnc(C(=O)O)c1Cl 2202057 IWLSFWBDTCYRHE-UHFFFAOYSA-N 311.168 3.723 0 40 DHAB O=C(O)[C@H]1c2ccc(Cl)cc2CCN1c1ccc(F)cc1 2527036 RGWVNXMJJOUGRD-OAHLLOKOSA-N 305.736 3.668 0 40 DHAB COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2C)c1OC 3482605 AICZHWXDFJPHAJ-PKNBQFBNSA-N 311.381 3.973 0 40 DHAB Cc1cccc(-n2c(C)nnc2SCc2c(C)noc2C)c1 4500548 WWGQEQYFBCWBQF-UHFFFAOYSA-N 314.414 3.781 0 40 DHAB CCN(CC)CCNc1ncnc2c1[nH]c1ccc(Cl)cc12 4981267 YZZGEZJZTYYZGG-UHFFFAOYSA-N 317.824 3.518 0 40 DHAB Cc1cccc(-c2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)c1 5163184 NNWVFDZWCNVYAI-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ncccc1O 5688629 VPLPRPMWVSREGY-UHFFFAOYSA-N 320.776 3.547 0 40 DHAB CCOC(=O)c1c(CN2CCCCC2)cc(C(C)C)nc1C 6350339 AIMCEAVQZZZANO-UHFFFAOYSA-N 304.434 3.676 0 40 DHAB Cc1cnc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cn1 6652137 SILLDRQGRTTYFJ-VIFPVBQESA-N 310.184 3.583 0 40 DHAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(F)cc1 6889090 ZKSOFDVWLKLBKS-UHFFFAOYSA-N 324.307 3.640 0 40 DHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)ccc1C 7276222 SJXLLKBWWUDGGZ-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB Fc1ccccc1NC(=S)NCCSCc1ccco1 7661336 SSTVUBGNKORXQE-UHFFFAOYSA-N 310.419 3.639 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCCc1ccc(Cl)cc1 7984552 PGKRZFXOEXBTSY-UHFFFAOYSA-N 324.207 3.975 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(C)C 8040909 GZFHFCSHKFXCGD-UHFFFAOYSA-N 323.389 3.759 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCC1=CCCCC1 8477821 ZGFAEEKGGIGNAY-MRXNPFEDSA-N 317.429 3.859 0 40 DHAB Cc1ccc(-c2nn3c(Cc4ccccc4F)nnc3s2)cc1 8715032 LVWGTUFKOGDJQS-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB O=C(c1ccsc1)N1CCC(c2nc3ccccc3o2)CC1 9314331 DDSMQTURORVOKI-UHFFFAOYSA-N 312.394 3.909 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccccc1 9503629 ZQDXQMUNGFCTPD-INIZCTEOSA-N 320.795 3.512 0 40 DHAB Cc1ccc(SCCCNC(=O)Nc2nccs2)cc1 10220880 RUFRMJDBVQAVCF-UHFFFAOYSA-N 307.444 3.755 0 40 DHAB O=C(Nc1ccc(Cl)c2cccnc12)[C@H]1Cc2ccccc2O1 12808402 SXTDRAPEHPCXRI-MRXNPFEDSA-N 324.767 3.830 0 40 DHAB O=C(NOCc1ccccc1)c1cccc2c3c([nH]c12)CCCC3 12971240 RUXBIIYQKZGRLX-UHFFFAOYSA-N 320.392 3.908 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc3ncccc23)cc1 13012648 YNBVBKLLTQNMPB-CQSZACIVSA-N 306.365 3.949 0 40 DHAB CCC(CC)NC(=O)c1sc(NC(=O)c2ccco2)cc1C 13984436 DGSPXQGQADASNY-UHFFFAOYSA-N 320.414 3.820 0 40 DHAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 15388859 ZTFBFPCFEBPPKX-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 15618813 USAFQFXOUJHNLV-UHFFFAOYSA-N 303.745 3.754 0 40 DHAB CC1(C)CC(=O)CC(C)(C)C1NC(=O)c1ccc(Cl)cc1 16577703 BVMWFJPXGAOTLL-UHFFFAOYSA-N 307.821 3.854 0 40 DHAB Cc1ccc(-n2ncc3c(N4CCC[C@@H](C)C4)ncnc32)cc1C 17120352 FQUAGGCZMZXORL-CYBMUJFWSA-N 321.428 3.669 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)c1cccc(N2CCCC2=O)c1 18085557 KKVGFKOJBLIYMZ-OAHLLOKOSA-N 322.408 3.613 0 40 DHAB CN(C)CCN(Cc1cccs1)Cc1ccccc1Cl 19582607 UUHFHQKGEUSRPO-UHFFFAOYSA-N 308.878 3.965 0 40 DHAB O=C(c1ccc(F)cc1)N1CCCC[C@H]1CCN1CCCCC1 21170396 ZDRSEWISQOMKLL-SFHVURJKSA-N 318.436 3.696 0 40 DHAB O=C(Nc1nncs1)c1ccc(C2SCCCS2)cc1 21214621 GXVILUHBXARTCY-UHFFFAOYSA-N 323.468 3.659 0 40 DHAB Cc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(O)c1 24152028 CFBHWOYNMFGPNE-UHFFFAOYSA-N 311.168 3.842 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1 24970180 UIPUFNXNTXMINV-UHFFFAOYSA-N 310.444 3.550 0 40 DHAB COc1ccc(CNC(=O)N(C)[C@@H](C)c2cccs2)cc1 25087654 SBPUIACIVLRUOB-LBPRGKRZSA-N 304.415 3.659 0 40 DHAB Cc1cc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c(C)o1 27916630 UQOUZEZDDMLNEE-UHFFFAOYSA-N 313.332 3.533 0 40 DHAB C[C@]1(C(=O)Nc2nc(C(F)(F)F)cs2)CC1(Cl)Cl 32471868 CAJNPIWWXAQUEY-SSDOTTSWSA-N 319.135 3.684 0 40 DHAB CCc1noc(-c2cccc(NC(=O)c3ccc(OC)cc3)c2)n1 33012800 YFKXHSDEEWTUPP-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB COc1cccc(NCc2cc(Cl)c3c(c2)OCCO3)c1 37301585 WIAYLCZZQMAHTB-UHFFFAOYSA-N 305.761 3.732 0 40 DHAB Cc1ccc([C@H](C)NC(=O)c2ccc3nc(C)c(C)nc3c2)o1 39981946 DAVLQGGTSWMCCY-ZDUSSCGKSA-N 309.369 3.639 0 40 DHAB Cc1cc(C(=O)Nc2c(F)cccc2F)nn1-c1ccccc1 41454049 SRXAGEBMQBAQSU-UHFFFAOYSA-N 313.307 3.711 0 40 DHAB Cc1nc(C)c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)s1 43549476 GGJWGRYWJPXOJS-INIZCTEOSA-N 323.421 3.674 0 40 DHAB CC(C)[C@@H](CNC(=O)c1ccnc(Cl)c1)Nc1ccccc1 43695575 AXOJMJJAQQLXJI-OAHLLOKOSA-N 317.820 3.602 0 40 DHAB Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(N(C)C)nc2)s1 47525182 FAQOEEHNXVYPLA-LBPRGKRZSA-N 318.446 3.742 0 40 DHAB O=C(Nc1ccc2ccccc2n1)C1=NO[C@@H](c2ccccc2)C1 55128085 TWAULEMCVMEZGO-QGZVFWFLSA-N 317.348 3.691 0 40 DHAB Cc1nc(CSc2nnc3sc4ccccc4n23)oc1C 60533696 BJZFYNLYNVNPPI-UHFFFAOYSA-N 316.411 3.841 0 40 DHAB Oc1ccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 64874549 FIEICMVHJJUDMA-UHFFFAOYSA-N 305.259 3.863 0 40 DHAB Cc1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)no1 67497378 LLIOWWFSBVXSBK-UHFFFAOYSA-N 320.348 3.537 0 40 DHAB C[C@@H](CC(=O)OCc1coc(-c2ccccc2)n1)c1cccnc1 70040538 RZHYSLXUEUGBMP-AWEZNQCLSA-N 322.364 3.974 0 40 DHAB C[C@H]1C[C@H]1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 71185111 UXVDTLNJHNRNOZ-SUMWQHHRSA-N 323.396 3.603 0 40 DHAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2cccc(O)c2)S1 71285030 UAARDSHNBVRMKH-ZDUSSCGKSA-N 303.387 3.761 0 40 DHAB COCc1nc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)cs1 71831011 SJASICILGYFKRG-HNNXBMFYSA-N 316.426 3.513 0 40 DHAB Cc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1 72227491 NLNQEDWLVOPSES-GJZGRUSLSA-N 321.207 3.717 0 40 DHAB CCN(CC)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 72271368 YLCBLQPPGCRYSO-GFCCVEGCSA-N 303.431 3.923 0 40 DHAB COc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1F 72331696 VEFPYESKOMNNPN-UHFFFAOYSA-N 301.361 3.888 0 40 DHAB Cc1nc([C@H]2CCCN(C(C)C)C2)sc1Br 72343527 LLFMEULNCOIKMY-JTQLQIEISA-N 303.269 3.802 0 40 DHAB Cc1nc(C)c(CNC(=O)N2C[C@@H](C)c3ccccc32)s1 74664993 XFNWTLOCMPWARN-SNVBAGLBSA-N 301.415 3.593 0 40 DHAB O=C(CSc1ccncc1)N1CCC(=Cc2ccccc2)CC1 84525636 DOTXJUBWPIWCFW-UHFFFAOYSA-N 324.449 3.880 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)s1 89656617 REBFCGPWZBDJDD-GFCCVEGCSA-N 304.419 3.765 0 40 DHAB Cc1ccccc1CCCOC(=O)c1ncoc1[C@H]1CCCO1 89689331 FRCAROZXIVTMBO-OAHLLOKOSA-N 315.369 3.624 0 40 DHAB COC(=O)C[C@H](C)SCc1nc2ccccc2n1C(F)F 89894574 MFSQUHPFDGGBIJ-VIFPVBQESA-N 314.357 3.616 0 40 DHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1OCC[C@H]1C 95440391 WXIINKNGDNRGMJ-KGYLQXTDSA-N 310.463 3.519 0 40 DHAB C[C@@H](c1cccc(-c2ccc(N3CCOCC3)cc2)c1)N(C)C 96152898 GBDGVHOWXBCIDR-INIZCTEOSA-N 310.441 3.813 0 40 DHAB CCO[C@H]1CC2(CCN(C(=O)C(C)C)CC2)c2cc(F)ccc21 96241677 MZAAEIJFMYMOSG-KRWDZBQOSA-N 319.420 3.823 0 40 DHAB CC[C@H](NC(=O)CCc1ccncc1)c1ccc(F)cc1F 96414563 FMFFEKJMEBEPPR-INIZCTEOSA-N 304.340 3.560 0 40 DHAB C[C@H](c1ccco1)N(C)C(=O)Nc1cnn(-c2ccccc2)c1 96422004 XOUQYVHIHYSCEV-CYBMUJFWSA-N 310.357 3.690 0 40 DHAB COc1ccc(CNCc2cc(Cl)cc3cccnc23)cn1 96476111 IUMSAXUFCLOPJE-UHFFFAOYSA-N 313.788 3.582 0 40 DHAB CCn1nccc1CNC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 102149283 RWQYPJQWVQFXQZ-NBLCHNQSSA-N 315.461 3.516 0 40 DHAB CCn1c(C)cc(C(=O)Nc2cc(CC(C)(C)C)nn2C)c1C 108347683 UDYZLCRCZLTNNL-UHFFFAOYSA-N 316.449 3.699 0 40 DHAB Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cscn1 252502602 URJSYNMUXYORIB-UHFFFAOYSA-N 318.789 3.543 0 40 DHAB Cc1ncc(-c2nccnc2CC2CCN(C(C)C)CC2)s1 257243299 IGHIFUBFSOQEFH-UHFFFAOYSA-N 316.474 3.571 0 40 DHAB COc1cc(-c2nnc([C@@H](C)OC)o2)ccc1OCCC(C)C 521393844 MRHCTVJIBCCIIZ-GFCCVEGCSA-N 320.389 3.878 0 40 DHAB Cc1ncnc(N2CCC[C@H](c3nc4ccccc4o3)C2)c1C 881803046 XVFLTHBFDHUKST-AWEZNQCLSA-N 308.385 3.619 0 40 DHAB O=C(Nc1nccs1)/C(Br)=C/c1ccccc1 113687 FXWWNVRXIZWCGJ-NTMALXAHSA-N 309.188 3.518 0 40 DHAB COc1ccc(C(=O)CSC(=O)Nc2ccccc2)cc1 189686 IJVBCNKDYRXVKN-UHFFFAOYSA-N 301.367 3.843 0 40 DHAB CCCc1nn2c(-c3cccc(C(F)(F)F)c3)nnc2s1 385333 JHTRPYLKYLEJSM-UHFFFAOYSA-N 312.320 3.824 0 40 DHAB CN(C)[C@H]1CCC[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 552132 KWBLUDBBNZTNOA-RBUKOAKNSA-N 323.436 3.844 0 40 DHAB CCn1nc(NC(=O)C(C)(C)C)c2cc3ccc(C)cc3nc21 1283336 CEEIRUCELMSJDJ-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB COCC/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(C)cc12 1780710 FQIOLRAOFLNXMF-DYTRJAOYSA-N 323.392 3.964 0 40 DHAB Clc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1 2194314 BWFZYXALXWWANZ-UHFFFAOYSA-N 313.773 3.568 0 40 DHAB S=C(NCc1ccco1)N1CCC(Cc2ccccc2)CC1 2227441 PRYBQZKNZREGHJ-UHFFFAOYSA-N 314.454 3.609 0 40 DHAB CCCSc1nnc(NC(=O)Nc2ccc(C)cc2)s1 2284238 YPAPUGULHMGCLV-UHFFFAOYSA-N 308.432 3.993 0 40 DHAB O=C(c1cccc(Br)c1)N1CCc2ccccc21 2796142 AIWCUYSLEJNYSH-UHFFFAOYSA-N 302.171 3.652 0 40 DHAB CSc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1 3458193 PVFULVZBNYHORU-UHFFFAOYSA-N 318.442 3.553 0 40 DHAB C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCC1)c1ccccc1 3533415 LMEONVPYROQNEV-CQSZACIVSA-N 322.408 3.916 0 40 DHAB CC(=O)CCc1ccc(CC[C@@H](C)NC(=O)c2ccccc2)cc1 3844792 XMCSCGWUFYRLTF-MRXNPFEDSA-N 323.436 3.959 0 40 DHAB biogenic CCCCOc1ccc(C(=O)NCCc2cccs2)cc1 4698380 SEKCKZDQMMLESX-UHFFFAOYSA-N 303.427 3.900 0 40 DHAB CCN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 4699952 YLCDOZJMDAWGJV-ACCUITESSA-N 320.414 3.716 0 40 DHAB c1ccc(-c2nc3c4ccccc4nc(NC4CC4)n3n2)cc1 5055221 KTCQDLYZHYCJLT-UHFFFAOYSA-N 301.353 3.519 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2)cc1OCC 5510606 GGDPGMIRDCXRDA-AWEZNQCLSA-N 313.397 3.975 0 40 DHAB O=C(COc1ccc(F)cc1)Nc1cccc(Br)c1 5558296 MHRVIQAANVVLSD-UHFFFAOYSA-N 324.149 3.606 0 40 DHAB O=C(O)c1ccccc1C(=O)O[C@@H]1C[C@H]2CC3(CC3)[C@@H]1C21CC1 5583825 SPLOOJZSTBSGKD-NILFDRSVSA-N 312.365 3.510 0 40 DHAB S=C(NC[C@H]1C[C@@H]2CC[C@H]1C2)NC12CC3CC(CC(C3)C1)C2 6261965 ZKIRMNJOJCYFMQ-UUNKHFGGSA-N 318.530 3.856 0 40 DHAB Cc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c(C)c1 6811238 UOMDHXYGOLZCPM-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)C1(c2ccccc2)CC1 7778960 LPPPUNQZQVQDPF-UHFFFAOYSA-N 324.376 3.673 0 40 DHAB CC(C)c1nnc(NC(=O)c2cccc(OC(F)F)c2)s1 8117160 DVRWAPYQBSUGEN-UHFFFAOYSA-N 313.329 3.515 0 40 DHAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1 8500255 NCZSZJSCZXJUNQ-HNNXBMFYSA-N 321.467 3.836 0 40 DHAB O=C(c1n[nH]c2ccccc12)N1CC=C(c2ccc(F)cc2)CC1 9367260 JPGXYEPTVOBHSC-UHFFFAOYSA-N 321.355 3.632 0 40 DHAB CCOc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1 9888977 PBZSWCQKUZEZSG-UHFFFAOYSA-N 315.438 3.916 0 40 DHAB Cc1csc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)n1 11367307 PVNFMCOLQAKOJJ-UHFFFAOYSA-N 314.410 3.542 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1F 11750476 BEFRRJOHBCWECA-UHFFFAOYSA-N 303.764 3.941 0 40 DHAB CC(C)CC(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 11913733 GHBKZYHRWISACA-UHFFFAOYSA-N 303.362 3.508 0 40 DHAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NC3CC3)cc2s1 12389748 RZVGPWUHWUINMY-UHFFFAOYSA-N 311.410 3.596 0 40 DHAB c1ccc(C2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 12859243 BPUBPTGRQPONSW-UHFFFAOYSA-N 309.369 3.709 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](C)N2CCCCC2)cc1Cl 13964864 QJLZNFGYIUILMW-ZDUSSCGKSA-N 309.841 3.644 0 40 DHAB Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nnnc3N2)cc1C 15866366 VDIXLHZTZDCXCL-SJORKVTESA-N 323.375 3.575 0 40 DHAB Cc1ccc(C)c([C@@H](C)N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 16685064 LTICJNMBNYTNKW-HUUCEWRRSA-N 321.424 3.952 0 40 DHAB COc1ccccc1-c1cc2nc(C)cc(N3CCCCC3)n2n1 21150492 UDQRZMMCEYJVFZ-UHFFFAOYSA-N 322.412 3.704 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3F)no2)cc1 21786489 YITPSPGKNJPWSY-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB Cc1[nH]c2c(C(=O)Nc3cccc(NC(N)=O)c3)cccc2c1C 24773458 UYLNAHQQAKSGIP-UHFFFAOYSA-N 322.368 3.528 0 40 DHAB O=C(NCC(F)(F)F)c1ccc(-c2cccs2)cc1F 30877482 DBHPRFDGUXKSSS-UHFFFAOYSA-N 303.280 3.846 0 40 DHAB C[C@H](NC(=O)[C@@H](C)OCC(F)(F)F)c1cc2ccccc2o1 31705830 QESXKBVIOLIDSQ-VHSXEESVSA-N 315.291 3.577 0 40 DHAB O=C(CCc1ccccc1)Nc1ccc(Oc2cnccn2)cc1 32930789 SLFLJYXAEZHTDC-UHFFFAOYSA-N 319.364 3.840 0 40 DHAB O=C(CCc1ccsc1)Nc1cccc(Cn2cccn2)c1 36395228 VXDKGHHOAIQINO-UHFFFAOYSA-N 311.410 3.564 0 40 DHAB CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccsc2)n1 40534515 IVSQRRXAEKLZNZ-CYBMUJFWSA-N 319.430 3.551 0 40 DHAB Cc1cccc(C)c1NC(=O)CN(Cc1ccccn1)C(C)C 40555316 GEOIPRYUUSKZSA-UHFFFAOYSA-N 311.429 3.548 0 40 DHAB COc1cc(C)ccc1Oc1ccc(NC(=O)NC(C)C)cn1 48239630 AIIPLSWFKZRUTP-UHFFFAOYSA-N 315.373 3.721 0 40 DHAB COc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1Cl 48342707 DEKZAOMNDDVHDK-JTQLQIEISA-N 305.765 3.626 0 40 DHAB CCN(Cc1csc(-c2ncccn2)n1)C1CCCCC1 51857854 JIVLBYJLPCTMQT-UHFFFAOYSA-N 302.447 3.755 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)CCCc2ccccn2)cc1 69351602 XGMFFUHLYUEMIW-HNNXBMFYSA-N 312.413 3.680 0 40 DHAB O=C(c1cccs1)N(Cc1cccs1)C[C@H]1CCCO1 69460602 IIKOLARXVCZVMH-GFCCVEGCSA-N 307.440 3.631 0 40 DHAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1C)c1c(C)noc1C 69460700 MRIRPRGWZPHDGA-SWLSCSKDSA-N 300.402 3.971 0 40 DHAB CC(C)n1cc(CN[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cn1 69737076 VOJSNJMAKVYJAY-NSHDSACASA-N 317.824 3.845 0 40 DHAB COc1cc2ncnc(Cc3cccc(Cl)c3)c2cc1OC 71607034 DOBKKEHYAFERJH-UHFFFAOYSA-N 314.772 3.891 0 40 DHAB CC(C)N1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214438 ZWDVVPJYIFFFTL-HNNXBMFYSA-N 319.449 3.998 0 40 DHAB O=C([C@@H](F)C(F)(F)ONc1cccc(Cl)c1)C(F)(F)F 72265888 XSPJXIGMHDOVEW-SSDOTTSWSA-N 321.604 3.746 0 40 DHAB CCn1c([C@@H]2CCCN2Cc2c(C)noc2C)nc2ccccc21 83840192 RFHJJFRNRXHJPP-SFHVURJKSA-N 324.428 3.998 0 40 DHAB CCN1CC[C@@H](N(C)C(=O)Nc2cccc(Cl)c2)[C@H](C)C1 84780015 XERPCEOYYPCOAF-IUODEOHRSA-N 309.841 3.534 0 40 DHAB C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)n2ccnc2-c2ccccc2)C1 89923067 IMQQOVKHAUOSBO-INMHGKMJSA-N 311.429 3.806 0 40 DHAB CCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C)cs2)cc1 89991206 XDWHSMTUCZBJGB-GFCCVEGCSA-N 316.426 3.833 0 40 DHAB C[C@H](NC1CCC(CN(C)C)CC1)c1cc(F)c(F)c(F)c1 90707457 FNAJUVXNDJVBHJ-DCBWTQNWSA-N 314.395 3.875 0 40 DHAB COC[C@@H]1CCCN(Cc2cnc(-c3ccsc3)s2)C1 93337738 NFSXFIMJOOWEEU-GFCCVEGCSA-N 308.472 3.730 0 40 DHAB CC(C)C[C@@H](NC[C@](C)(O)c1cccs1)c1ccccn1 95422976 PWHSZVALJYDNOB-WBVHZDCISA-N 304.459 3.728 0 40 DHAB Cn1c(-c2ccc([S@@](C)=O)cc2)nc2cc(Cl)ccc21 95442579 WHUAYDIPIHKSRN-FQEVSTJZSA-N 304.802 3.631 0 40 DHAB Cc1noc2nc(C(C)C)cc(C(=O)NC(C3CC3)C3CC3)c12 97038703 ULBXSMNISHNCSV-UHFFFAOYSA-N 313.401 3.573 0 40 DHAB CCOc1cc(CN2[C@@H]3CC[C@@H]2c2cccnc2C3)ccc1OC 100198403 IXDJRXGHRMRGGT-CRAIPNDOSA-N 324.424 3.751 0 40 DHAB O=C(N[C@H](c1ccc(F)cc1)c1ccccn1)[C@@H]1C[C@H]2C=C[C@H]1C2 100794306 HWQSLOBZQXURFZ-VGDUNAEUSA-N 322.383 3.639 0 40 DHAB Fc1ccc(C2=C[C@H](c3cccc(F)c3)n3ncnc3N2)cc1 101223702 AOBUIQXWFGVHRQ-MRXNPFEDSA-N 310.307 3.612 0 40 DHAB O=C(Nc1ccc(Cl)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104573480 OSVHMFGRCLKTFY-VDQHWBOFSA-N 305.805 3.610 0 40 DHAB CC(C)c1ccccc1OCC(=O)N1CCc2ccccc2C1 222804415 PSWRBEZRRFPECE-UHFFFAOYSA-N 309.409 3.774 0 40 DHAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccccn1 223908179 RGQKBFKBRZTEHA-UHFFFAOYSA-N 309.394 3.828 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)CSc2ccccc2)c1 223977884 JCBBSRLZNNHPHI-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB Cc1ccc(SCCNC(=S)Nc2cc(C)ccn2)cc1 225287344 XCRWXVJDNHJMNX-UHFFFAOYSA-N 317.483 3.777 0 40 DHAB COc1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1Cl 225453369 MQCYUERBCMWVMU-GFCCVEGCSA-N 319.788 3.546 0 40 DHAB O=C(CCc1ccc(F)cc1)NCCOc1ccccc1Cl 225524723 AKOPLEXKRUGDNH-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB COc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1Cl 225638786 DTJMZQMNMVEQBV-MEDUHNTESA-N 311.809 3.882 0 40 DHAB C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)c2ccccc2N=C1O 329263336 BPPWGTOMPNTVRZ-GFCCVEGCSA-N 321.380 3.844 0 40 DHAB O=C(c1ccc(Cl)cc1Cl)N1CC[C@@H](OCC2CC2)C1 390829932 HPCROISLBXZQDB-GFCCVEGCSA-N 314.212 3.635 0 40 DHAB CCCCc1ccc(NC(=O)C(=O)NC2CCC(C)CC2)cc1 408709349 QZPMIHNUQUBAAS-UHFFFAOYSA-N 316.445 3.663 0 40 DHAB O[C@@H]1[C@@H](NCC2CCCCC2)CCC[C@H]1Oc1ccc(F)cc1 585286149 VAZPAAFWZMZVHF-IPMKNSEASA-N 321.436 3.656 0 40 DHAB O=C(NCC(c1ccco1)c1ccco1)c1c(F)cccc1F 675007714 KMMOAHQONODWRP-UHFFFAOYSA-N 317.291 3.713 0 40 DHAB COc1c(Oc2cc(C)nc3nc(C)nn23)ccc2ccccc12 1559193977 YRQPIXVDAOPWDX-UHFFFAOYSA-N 320.352 3.695 0 40 DHAB CCOC(=O)C1=C(c2ccccc2)ON(C)[C@H]1c1ccccc1 347983 PLPYXFSFLOKFPT-KRWDZBQOSA-N 309.365 3.579 0 40 DHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CC(C)C 558350 VTJBPQSISGQCAL-UHFFFAOYSA-N 316.357 3.525 0 40 DHAB Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 565221 FNGCVHKSPQXXBK-FQEVSTJZSA-N 323.392 3.531 0 40 DHAB CCCCOc1ccc(/C=C2/SC(=O)NC2=O)cc1OCC 2169547 ZFDGRJLYJLYCRW-GXDHUFHOSA-N 321.398 3.588 0 40 DHAB Cc1cc(C)c(Nc2nnc(Cc3ccccc3)c(O)n2)c(C)c1 2718708 DMHKQKRXPRCDKB-UHFFFAOYSA-N 320.396 3.837 0 40 DHAB Cc1ccccc1N[P@@](C)(=O)c1nc2c(s1)CCCC2 3173190 VVOJKGFKNMCNKG-IBGZPJMESA-N 306.371 3.976 0 40 DHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccccc1 3573560 YUABIRVINSLYGN-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB Cc1ccc(SCC(=O)Nc2nc3c(s2)CCC3)cc1 4496460 QLWNDCZUFPRISQ-UHFFFAOYSA-N 304.440 3.671 0 40 DHAB CCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1 5197847 BLIPVHAPKJIOTQ-UHFFFAOYSA-N 324.380 3.548 0 40 DHAB Cc1ccccc1CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 6788270 BCRITNOUWWGWRE-BFUOFWGJSA-N 314.429 3.632 0 40 DHAB Cc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1Cl 7402394 YJAIDVURWAZKBS-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB S=c1[nH]ncn1NCc1ccc(-c2ccc(Cl)cc2)o1 7602187 PCRUORIRADCXKF-UHFFFAOYSA-N 306.778 3.598 0 40 DHAB Cc1ccc(NC(=O)[C@H]2COc3ccccc3C2)c(Cl)c1 8113506 GZLHQFUBZIHDRK-CYBMUJFWSA-N 301.773 3.838 0 40 DHAB Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1C 8291707 OXPJNYANJDWITA-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(C(C)(C)C)cc1 8295256 JYAYGACMDBQVJS-NUJGCVRESA-N 319.489 3.987 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)s1 10677896 CMJNOZQTDVMXAV-UHFFFAOYSA-N 311.410 3.514 0 40 DHAB CC(=O)c1c(C)nc(O)nc1SCc1ccccc1Cl 10913646 MCILBBSCUDNNDG-UHFFFAOYSA-N 308.790 3.639 0 40 DHAB COc1ccnc(NCc2ccccc2COc2ccccc2)n1 11380896 UHVUGBCALXNKFE-UHFFFAOYSA-N 321.380 3.676 0 40 DHAB O=C(/C=C/c1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 12390349 OZTJLGJAZNOUFR-RMKNXTFCSA-N 320.367 3.905 0 40 DHAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCCCCC1 12391712 HJTLWRQLRDYNAV-HNNXBMFYSA-N 306.793 3.823 0 40 DHAB Cc1ccccc1/C=C/C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 12551291 HRNAXVIQNDUMLC-GETOMWPZSA-N 305.381 3.762 0 40 DHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NOCc1ccccc1 12799135 JGBYMPKNXKVOGS-CYBMUJFWSA-N 319.788 3.664 0 40 DHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC3CC3)cccc2c1=O 13003893 DLTCXLXWULDQLD-UHFFFAOYSA-N 319.360 3.661 0 40 DHAB CC[C@H](C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 13786906 RPTNPRGIWVXONY-CPCISQLKSA-N 319.188 3.614 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)NC1CCCCCCC1 14291513 YEUZPZZZDKLDIB-UHFFFAOYSA-N 315.866 3.872 0 40 DHAB COc1ccc(C=O)cc1OCc1ccccc1Br 16227616 FKDZYYJZZPZGOW-UHFFFAOYSA-N 321.170 3.849 0 40 DHAB COc1cc(CNC(=O)C(C)C)ccc1OCc1ccccc1 18160928 AYHXSERRUQVUTO-UHFFFAOYSA-N 313.397 3.546 0 40 DHAB O=C(/C=C/c1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 18255292 QFDOQJQKCNJMCA-HHNLSAEISA-N 317.392 3.940 0 40 DHAB Fc1ccccc1Nc1noc2c1CN(Cc1ccccn1)CC2 19350097 IEXQZVNCSPAKBE-UHFFFAOYSA-N 324.359 3.511 0 40 DHAB Cc1cccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 25453591 BGXCGGPIKVCIHE-LJQANCHMSA-N 324.424 3.973 0 40 DHAB Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@H](C(C)C)C1=O 31080750 NFJAPKMFBRONFZ-MRXNPFEDSA-N 316.445 3.677 0 40 DHAB O=C(CC1CCCCC1)NC[C@@H]1CCN(c2ccccc2)C1 31236330 LMULPFWWHNPDEA-KRWDZBQOSA-N 300.446 3.600 0 40 DHAB COc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 32675868 MWZCLSJSZJHTRA-UHFFFAOYSA-N 323.392 3.786 0 40 DHAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1 32768510 DTPMELNOXZAAEU-ZBEGNZNMSA-N 301.773 3.521 0 40 DHAB O=C(NCc1cccs1)c1cccc(-n2cc[nH]c2=S)c1 36378469 AAXQDVLYGQKRTG-UHFFFAOYSA-N 315.423 3.526 0 40 DHAB in-vitro COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1F 36385440 FMYYHOIKDMDTLV-MCUWUJJYSA-N 305.393 3.788 0 40 DHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CC=CCC1 40108454 MYWCYOAEQYMVED-GXTWGEPZSA-N 322.246 3.853 0 40 DHAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)[C@H]1CCCO1 41134435 NRASYENPRNQCJM-UKRRQHHQSA-N 321.829 3.786 0 40 DHAB CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H](C)c1ccccc1 42646487 BDHANEQUMXECBC-OAHLLOKOSA-N 324.424 3.668 0 40 DHAB CC(C)c1cc(Br)ccc1OCC1CCNCC1 42774641 FQBKAIBBLKXLGS-UHFFFAOYSA-N 312.251 3.951 0 40 DHAB Cc1nc(Cc2ccccc2Br)sc1C(=O)O 43179077 OBRJANYGAXVVIP-UHFFFAOYSA-N 312.188 3.503 0 40 DHAB CCCC[C@@H](CC)CNC(=O)Nc1cccc(C(=O)N(C)C)c1 43993114 QYXYGKGGZVUMJX-CQSZACIVSA-N 319.449 3.726 0 40 DHAB O=C(Cc1ccccc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 44891272 APPAMIBVISBHAY-KRWDZBQOSA-N 321.380 3.596 0 40 DHAB O=C(CCCOCCc1ccccc1)Nc1nc2ccccc2[nH]1 48166899 LYMDBPAKJXRISR-UHFFFAOYSA-N 323.396 3.541 0 40 DHAB Cc1ccc(OCCn2cnc3cc4c(cc32)OCCO4)cc1C 64794841 JQRRSKPITZDXQJ-UHFFFAOYSA-N 324.380 3.503 0 40 DHAB Cc1cc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)n(C)n1 67033206 QHGAYKSAPZFODW-MRXNPFEDSA-N 312.417 3.530 0 40 DHAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 70778043 MBOHTZLWRCSJFV-QRVBRYPASA-N 323.392 3.663 0 40 DHAB CCc1noc([C@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)n1 71819341 QFBBGZKUMQCKKN-JTQLQIEISA-N 315.402 3.579 0 40 DHAB CC(C)[C@H](Sc1cccs1)C(=O)NCc1cccnc1 71909991 NCBJQNGPEVITEP-AWEZNQCLSA-N 306.456 3.576 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C 72214784 LSHVDJPNNJFOJH-CQSZACIVSA-N 305.422 3.610 0 40 DHAB C[C@H](CCc1ccccc1)NS(=O)(=O)CC1CCCCC1 72230344 QHAHRNJXMHNOGJ-OAHLLOKOSA-N 309.475 3.507 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)n1 72273755 XZLYYATYSRLSGI-LBPRGKRZSA-N 309.822 3.800 0 40 DHAB CC(C)C[C@@H](CCO)CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 72311634 OLUBUXGZBCSTMM-ZIAGYGMSSA-N 323.502 3.647 0 40 DHAB CC(=O)N1CCC[C@@H](c2cccc(Cc3cccc(C)c3)n2)C1 72357566 DAQBOHPHUWRBKI-GOSISDBHSA-N 308.425 3.707 0 40 DHAB CC(=O)N1CCC[C@H]1c1cccc(Oc2ccccc2F)n1 72386863 GOTWEUMVEXSCJQ-HNNXBMFYSA-N 300.333 3.696 0 40 DHAB CC1CCN(C(=O)c2ccc(NCc3cccs3)nc2)CC1 75610762 JGCMNTVZVXUXAO-UHFFFAOYSA-N 315.442 3.627 0 40 DHAB CSc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1 77672799 JAQFMHGHRULOBT-MRXNPFEDSA-N 316.426 3.654 0 40 DHAB O=C(CC1=CCCCC1)N1CCC[C@H]1c1noc(C2CC2)n1 84137136 IMORTKNCHODOGU-AWEZNQCLSA-N 301.390 3.501 0 40 DHAB Cc1ccsc1C(=O)Nc1cccn(Cc2ccccc2)c1=O 88268114 WRKSTEAUILVOSL-UHFFFAOYSA-N 324.405 3.519 0 40 DHAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCn2ccnc2C1 89851166 AIQFWXLPJFNNER-QGZVFWFLSA-N 317.392 3.751 0 40 DHAB CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1Cl 96125826 UZQBXKSKHQNRRO-KRWDZBQOSA-N 316.832 3.601 0 40 DHAB O=C1CC[C@]2(CCCN(Cc3ccsc3)CC2)N1CC1CC1 96217939 QAAVJNUUGXNUHR-SFHVURJKSA-N 318.486 3.505 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 103075304 CFAOEUQRNMPLNQ-SYQHCUMBSA-N 307.821 3.660 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 139628322 RLMGBYSIIULZOC-CQSZACIVSA-N 313.397 3.514 0 40 DHAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@H](c2ccn[nH]2)C1 170675477 YLVZCMRNPOLWBC-SFHVURJKSA-N 319.408 3.512 0 40 DHAB COc1ccccc1CCC(=O)c1ccc(OC)c(OC)c1 199728898 DYWRUZFHGRHLHI-UHFFFAOYSA-N 300.354 3.528 0 40 DHAB CCOc1cc(C(N)=O)cc(Cl)c1OCc1ccccc1C 216836189 VLDXNAGOOOJJFL-UHFFFAOYSA-N 319.788 3.725 0 40 DHAB Cc1cc(C(=O)N(CCc2ccccc2)c2ccccc2)cnn1 225538295 QRYLCNZLLUCOMR-UHFFFAOYSA-N 317.392 3.675 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCC[C@@H](C)C1 226724101 JHQZQXQDMVUSSM-IXDOHACOSA-N 305.462 3.672 0 40 DHAB Cc1cc([C@H]2c3ccccc3CCCN2[C@H]2CCOC2)ccn1 248104090 OPOOVEDFDNTLAZ-ICSRJNTNSA-N 308.425 3.517 0 40 DHAB CN(CCCNC1CCCCC1)CCCNC1CCCCC1 255189364 PIDPGZGNIYMRIT-UHFFFAOYSA-N 309.542 3.543 0 40 DHAB CC(C)C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257213001 CFTXNVWIKXNWMZ-MRXNPFEDSA-N 316.376 3.724 0 40 DHAB C[C@@](O)(CNC(=O)Nc1ccccc1Cl)Cc1ccsc1 618255098 KVXOGSSFGOVHBJ-HNNXBMFYSA-N 324.833 3.517 0 40 DHAB CO[C@]1(COc2ccc(F)cc2)CCN(C2CCCCC2)C1 1615140333 HWGAFQNILROONZ-GOSISDBHSA-N 307.409 3.628 0 40 DHAB CC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1 81121 ZCKWIRNYRQKPNV-UHFFFAOYSA-N 306.321 3.558 0 40 DHAB CCOc1ccc(NC(=O)c2cc(OC)nc3ccccc23)cc1 90211 KEWDXGXPABLHCL-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB Cc1nnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)s1 147110 UAIDYJPUDZMGNG-AATRIKPKSA-N 314.197 3.805 0 40 DHAB COc1ccc([C@H]2OC[C@@]3(CO)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 519349 RJYHUHMMBLCXKJ-AUKGUFSJSA-N 302.414 3.594 0 40 DHAB COc1ccc2nc(NC(=O)Cc3cccs3)sc2c1 2620548 ILFYFBFIOFFNPK-UHFFFAOYSA-N 304.396 3.548 0 40 DHAB CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 2944702 ZTBMOOKXITVSAM-FIYPYCPBSA-N 309.409 3.805 0 40 DHAB O=C(O)CCCC(=O)Nc1ccc2oc3c(c2c1)CCCC3 4783961 WYGJBOXBFWKIHE-UHFFFAOYSA-N 301.342 3.505 0 40 DHAB CC[C@H](C)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 5146562 HWCJCPSSARCFHB-LBPRGKRZSA-N 313.426 3.520 0 40 DHAB CCN(CCO)c1nc(-c2ccccc2)c(-c2ccccc2)o1 5650341 IYMDCTFFGDILDM-UHFFFAOYSA-N 308.381 3.827 0 40 DHAB CCOc1ccccc1CSc1n[nH]c2nc3ccccc3n12 6504287 QQJZDVNHZBBSOJ-UHFFFAOYSA-N 324.409 3.902 0 40 DHAB CC1CCC(N(C)C(=O)CSc2nc3ccccc3[nH]2)CC1 6972171 CKFAIGLLQJWMJC-UHFFFAOYSA-N 317.458 3.692 0 40 DHAB O=C1S/C(=C/c2ccncc2)C(=O)N1c1cccc(Cl)c1 9234599 OFDHQUXTCMSDGI-MDWZMJQESA-N 316.769 3.976 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)CCc1ccc(C)cc1 10336615 IFIUDNLSDCCONM-UHFFFAOYSA-N 311.381 3.743 0 40 DHAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N(C)C)cc3)cc2c1 12088255 MKBUQAROSDYJFA-UHFFFAOYSA-N 321.424 3.769 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 12821749 ONAUOLXXSCWYNK-FNORWQNLSA-N 324.211 3.996 0 40 DHAB CCCCn1c(CNC(=O)Cc2ccccc2)nc2ccccc21 13030835 OLAVEABASWMXFO-UHFFFAOYSA-N 321.424 3.695 0 40 DHAB Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(F)cc1 13111617 HNBHNXZIIZEVMW-VLGSPTGOSA-N 316.357 3.535 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 14206269 SDBIICXOTJJAGE-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB O=C(CSc1ccc2ccccc2c1)NCc1cccnc1 15434429 GUMYALYGPVWMOI-UHFFFAOYSA-N 308.406 3.643 0 40 DHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(F)c1 15608589 ZGNJKWSQUZHBDL-LBPRGKRZSA-N 314.360 3.606 0 40 DHAB Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccco1)C2 17032081 IKSKTYLJVGYCRP-GFCCVEGCSA-N 310.328 3.826 0 40 DHAB CCCCCCc1cnc(-c2ccc(OCCO)cc2)nc1 19075579 NNVLBOYCJBBMFC-UHFFFAOYSA-N 300.402 3.638 0 40 DHAB CC(C)c1ccc([C@@H](CN)N2CCc3sccc3C2)cc1 19770047 JWGZANXWSYSDOX-QGZVFWFLSA-N 300.471 3.930 0 40 DHAB in-vitro CC[C@H](C(=O)NCCOc1ccc(F)cc1)c1ccccc1 23142393 LFPLUCNFQMKXJM-KRWDZBQOSA-N 301.361 3.515 0 40 DHAB O=C(OC[C@@H]1CCCO1)c1cc2c(s1)-c1ccccc1CC2 24710096 UJXPVRRTQDAZCY-AWEZNQCLSA-N 314.406 3.850 0 40 DHAB CCCCNc1nc(Nc2cc(C)ccc2C)c2cnn(C)c2n1 27666418 XGBIOZPZEPZPEF-UHFFFAOYSA-N 324.432 3.936 0 40 DHAB CC(C)Cc1csc2nc(O)n3nc(-c4ccccc4)nc3c12 32073407 HHRKXRIZSODBDA-UHFFFAOYSA-N 324.409 3.910 0 40 DHAB Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)no1 32854808 HWUVBMRTXMDYMF-UHFFFAOYSA-N 314.341 3.667 0 40 DHAB Oc1ccc(-c2nc3ncccn3c2Nc2ccccc2)cc1 35615747 SXHAZXXDQOUFTB-UHFFFAOYSA-N 302.337 3.846 0 40 DHAB CC[C@](C)(Nc1ccccc1)c1nnnn1-c1cccc(C)c1 35622128 SJPARASPZZUIHJ-SFHVURJKSA-N 307.401 3.708 0 40 DHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cccc(Cl)c2)n1 36612061 JUKLXIRMCDQFTN-NSHDSACASA-N 320.824 3.611 0 40 DHAB CC(=O)NCc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1 36783514 XLJDBKGZANLJBB-UHFFFAOYSA-N 319.360 3.695 0 40 DHAB CN1CCN(C(=O)CCCc2ccccc2)[C@H](c2ccccc2)C1 40121032 DAFPCTYTXMEHRZ-FQEVSTJZSA-N 322.452 3.525 0 40 DHAB FC(F)(F)[C@@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 40465818 ZZVAQRYGVNHJPD-SNVBAGLBSA-N 317.336 3.572 0 40 DHAB Cc1[nH]ncc1CCCNC(=S)Nc1ccc(C(C)C)cc1 42668938 PZPROLNBASPPNH-UHFFFAOYSA-N 316.474 3.761 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1cccc(-c2cnco2)c1 48205318 YRHGKJWZKCCREM-UHFFFAOYSA-N 319.320 3.664 0 40 DHAB CC(C)CCN1C(=O)c2ccccc2[C@H](C(=O)O)C12CCCC2 49467038 YAOLAYJSEKDYST-MRXNPFEDSA-N 315.413 3.670 0 40 DHAB Cc1cccc(NC(=O)COc2cccc3cccnc23)c1C 49514604 IRYAKTJATWRJMT-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB CN(CCC(=O)c1cccs1)CCC(=O)c1cccs1 54969058 NJBMZVDZPDAZOZ-UHFFFAOYSA-N 307.440 3.587 0 40 DHAB in-vitro FC(F)(F)c1ccc(Nc2cc(Cl)nc3ncnn23)cc1 71295515 JNIXLHUITKSWMS-UHFFFAOYSA-N 313.670 3.540 0 40 DHAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 76042926 OCBPIBZCZVTNNP-STQMWFEESA-N 322.474 3.673 0 40 DHAB CCC(CC)(CC)NC(=O)Nc1cccc(C[S@@](C)=O)c1C 78937651 JDRSVDOQKXGYRZ-QFIPXVFZSA-N 324.490 3.964 0 40 DHAB Cc1nc2nccc(C(=O)Nc3c(Cl)cccc3Cl)c2[nH]1 80443364 OCIAVIIFEPXIIR-UHFFFAOYSA-N 321.167 3.825 0 40 DHAB Cc1ccc(SCCN2CC[C@H](N3CCCC3)C2)cc1C 84180927 GNUGYQNWSBUILC-KRWDZBQOSA-N 304.503 3.566 0 40 DHAB CC(C)C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1cccs1 84509998 UPPVCOWCOHBWQW-CQSZACIVSA-N 314.414 3.537 0 40 DHAB CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccco1 89336791 CFWSTGFMQHYFNT-DLBZAZTESA-N 307.434 3.702 0 40 DHAB COC[C@H](N[C@H](C)c1cnc2ccsc2c1)c1ccco1 96478947 QZIKCHLVTQDXGC-RISCZKNCSA-N 302.399 3.928 0 40 DHAB Fc1ccccc1-c1c[nH]c([C@@H]2CCCN2Cc2cccnc2)n1 97020538 MROZQSWIWCKLEV-SFHVURJKSA-N 322.387 3.948 0 40 DHAB Cc1cccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)c1C 101275273 YYRXKJUOQZFSMZ-MRXNPFEDSA-N 322.408 3.664 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSC(C)(C)C)c1 113960529 LGVFZTRIAZBKAO-AWEZNQCLSA-N 309.475 3.719 0 40 DHAB CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C(=O)C(F)(F)F 201109097 WXPSYJXMUMXEGN-UHFFFAOYSA-N 324.686 3.827 0 40 DHAB COc1ccc(CNC(=S)Nc2ncc(Cl)cc2C)cc1 223925932 SHFYGYAKQNKPRH-UHFFFAOYSA-N 321.833 3.539 0 40 DHAB COCCc1nsc(Oc2ccc(F)c(C(F)(F)F)c2)n1 225545921 OKKWTTYVAOJCBO-UHFFFAOYSA-N 322.283 3.677 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1C 225598930 UXQCBHQJMMDBCG-AWEZNQCLSA-N 321.417 3.790 0 40 DHAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC(Oc2cccc(F)c2)CC1 247796502 CXAULPJWYKPJTL-PIIMJCKOSA-N 317.404 3.632 0 40 DHAB Cc1cncc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)n1 257220591 DLHTXEXGWFPAAP-UHFFFAOYSA-N 306.413 3.646 0 40 DHAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(F)cc1 408809493 HRCPDEVBLHUPRX-UHFFFAOYSA-N 317.340 3.728 0 40 DHAB Fc1cccnc1N1CCC(c2ccc3cccnc3n2)CC1 656214892 KELKKOOCCNKQJK-UHFFFAOYSA-N 308.360 3.548 0 40 DHAB O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)(F)F 1534300003 LTODPBLUNCYZHX-UHFFFAOYSA-N 314.694 3.935 0 40 DHAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccnc1 181680 FXCXWQTZSDJVHN-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB COc1cccc2cc(CC(=O)c3ccc(C)cc3C)c(=O)oc12 216813 LSWMGCMDXHVLPC-UHFFFAOYSA-N 322.360 3.844 0 40 DHAB CCSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 419149 YGDZOJWTCLBHKW-UHFFFAOYSA-N 300.362 3.580 0 40 DHAB Cc1cc2ncn(CC(=O)Nc3ccccc3Cl)c2cc1C 420269 QZFVPGYYMKWZNU-UHFFFAOYSA-N 313.788 3.945 0 40 DHAB CC(=O)Nc1ccc(CCCc2ccc(NC(C)=O)cc2)cc1 1556062 VIKFKSGNEAIUHK-UHFFFAOYSA-N 310.397 3.779 0 40 DHAB NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)cs1 2360457 NDZSAMXYBKTOOC-UHFFFAOYSA-N 319.238 3.694 0 40 DHAB COC(=O)Nc1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 3069916 KTVQTAAPFWRTHI-UHFFFAOYSA-N 313.140 3.731 0 40 DHAB C[C@@H](CC(=O)[C@H]1C(=O)OC[C@H]1c1ccccc1)c1ccccc1 3851697 ZIZBHLLVLZVMNI-FNHZYXHNSA-N 308.377 3.706 0 40 DHAB COc1ccccc1C1=N/C(=C\c2ccccc2Cl)C(=O)O1 4589609 OTVAPLQIFPJVET-UVTDQMKNSA-N 313.740 3.693 0 40 DHAB C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2)[C@@H]1C 4614795 LPMPPYTYFNJDFX-LALPHHSUSA-N 324.262 3.933 0 40 DHAB aggregator Cc1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1 7193025 HKQPYYZTBISOFU-VIFPVBQESA-N 317.439 4.000 0 40 DHAB O=C(Nc1ccnn1Cc1cccs1)c1cc2ccccc2o1 7793703 YHEUVICNSZABQQ-UHFFFAOYSA-N 323.377 3.991 0 40 DHAB CCOc1ccc(NC(=O)Nc2c(C)nn(CC)c2C)cc1 8089439 QPKAGDHPNLGCHS-UHFFFAOYSA-N 302.378 3.563 0 40 DHAB CCCCNC(=O)c1ccccc1NC(=O)NC1CCCCC1 10473087 NABDOAMQOMEPQT-UHFFFAOYSA-N 317.433 3.671 0 40 DHAB Cn1/c(=N\C(=O)c2cccc(Cl)c2)sc2cc(F)ccc21 11852993 JHTOOKDKCJZHTC-OBGWFSINSA-N 320.776 3.773 0 40 DHAB CCOc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 12527606 GTWPVBBDMDGFAU-LLVKDONJSA-N 319.792 3.573 0 40 DHAB COc1ccc(N)cc1NC(=O)c1ccc(OCC(C)C)cc1 19736213 UWQZWQZPYNHANF-UHFFFAOYSA-N 314.385 3.565 0 40 DHAB O=C1Nc2ccccc2CC[C@@H]1Sc1nc2ccccc2[nH]1 20744894 HPXIYVGXCFUQJI-HNNXBMFYSA-N 309.394 3.609 0 40 DHAB COc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1 26127938 AWUDAKKRENGCLE-UHFFFAOYSA-N 324.405 3.856 0 40 DHAB Cc1ccc(SCCNC(=O)c2ccnc(Cl)c2)cc1C 27576207 PMNOYQCMWBXAEY-UHFFFAOYSA-N 320.845 3.874 0 40 DHAB CCn1cc(-c2nnc(SCc3ccc(Cl)cc3)o2)cn1 28579154 IHLWDEKQWCSZCQ-UHFFFAOYSA-N 320.805 3.899 0 40 DHAB Cc1cnc(NC(=O)c2csc(Cc3ccccc3)n2)s1 32914355 BFTURJQSLZQTKW-UHFFFAOYSA-N 315.423 3.751 0 40 DHAB O=C(O)c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12 36615702 XVWYUAFIDZRDGQ-UHFFFAOYSA-N 313.744 3.625 0 40 DHAB COc1cccc(NC(=O)NCC2(c3cccs3)CC2)c1 38593154 DIHYLCIWMQSYMU-UHFFFAOYSA-N 302.399 3.610 0 40 DHAB COc1ccc(C2=CCN(C(=O)c3sccc3C)CC2)cc1 40122415 VNUDCPUEUNGTOH-UHFFFAOYSA-N 313.422 3.995 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)c1cn(C)nc1C(F)(F)F 40554126 ZMFOUBLRAKXFDA-UHFFFAOYSA-N 317.698 3.653 0 40 DHAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Br 47913119 UJHDNXRAGRTPKJ-UHFFFAOYSA-N 308.175 3.791 0 40 DHAB CC[C@H](C)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 50078087 OGHRQAJEHLSVOT-RRFJBIMHSA-N 319.449 3.562 0 40 DHAB Cc1cc(C)cc(C2(C(=O)N(C)Cc3c(C)noc3C)CC2)c1 52640579 WBTYWISHHLAWRR-UHFFFAOYSA-N 312.413 3.598 0 40 DHAB CC(C)CO[C@@H](C)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 58168446 WUTGPXVLBJCASP-LBPRGKRZSA-N 319.430 3.534 0 40 DHAB O=C(NCCN1CCCCC1)c1cc2c(s1)CCCCCC2 58355680 SLEXCZVTIVJJHO-UHFFFAOYSA-N 320.502 3.623 0 40 DHAB O=C(CC1CCCC1)N1CCC[C@@H]1c1cccc2c1OCCO2 66771118 TYTKEUNKTFGLHG-MRXNPFEDSA-N 315.413 3.702 0 40 DHAB Cc1ccc(C(=O)CN2CCN(c3ccccc3C)CC2)c(C)c1 67206454 NGPNFRKXMOPLBI-UHFFFAOYSA-N 322.452 3.617 0 40 DHAB O=C(CS[C@@H]1CCCc2ccccc21)NCc1ccccn1 69777287 YUJYDMGVKDQSIP-QGZVFWFLSA-N 312.438 3.509 0 40 DHAB O=C(Nc1cccc2[nH]ccc12)N[C@H]1CCOc2ccccc21 71803383 CZKUIQIUCXRPPU-INIZCTEOSA-N 307.353 3.813 0 40 DHAB C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccccc1C(F)(F)F 71824498 ZGKAJJFQPXKEPR-IAQYHMDHSA-N 322.330 3.583 0 40 DHAB CCO[C@H](C)C(=O)Nc1c(F)cccc1Oc1ccccc1 71884434 VKHNBJSZRVWINA-GFCCVEGCSA-N 303.333 3.982 0 40 DHAB CN(Cc1ccccc1)c1ccc([C@H](N)c2ccccc2)cn1 72225377 AOCQHALEMZLCDK-HXUWFJFHSA-N 303.409 3.766 0 40 DHAB O=C(c1ccc(F)c(F)c1)N(CCc1cccs1)C1CC1 75154786 NPRYIDHWMPPXNE-UHFFFAOYSA-N 307.365 3.874 0 40 DHAB C[C@](O)(CNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 75155367 YVMCVMMSWSPTDE-FQEVSTJZSA-N 321.376 3.584 0 40 DHAB CS[C@H]1CCC[C@@H]1N(C)C(=O)Nc1c(C)nn(C(C)C)c1C 78937537 IIYFGUWBSMFVLW-KBPBESRZSA-N 324.494 3.829 0 40 DHAB Cc1cnn(-c2ccccc2)c1NC(=O)c1cc(F)ccc1F 84563840 ZCNZCWUYMCWMKI-UHFFFAOYSA-N 313.307 3.711 0 40 DHAB CCc1nc2cc(NC(=O)[C@@H](OC)c3ccccc3)ccc2o1 95365186 ZWFFYWSNGSNYSS-KRWDZBQOSA-N 310.353 3.716 0 40 DHAB CCS[C@H]1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 95979109 IQKCPKRVDUUXCB-STQMWFEESA-N 309.479 3.588 0 40 DHAB CC1(C)Oc2ccc(NC(=O)N3C[C@@H]4CC=CC[C@H]4C3)cc2O1 96434318 CTTJTEMTPXKCIQ-STQMWFEESA-N 314.385 3.624 0 40 DHAB S=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)NC12CC3CC(CC(C3)C1)C2 100984571 ZKIRMNJOJCYFMQ-WVDBNPHFSA-N 318.530 3.856 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3ccnc3C)C2)C1(C)C 106779725 UVOHZKQOAFWNQQ-GVDBMIGSSA-N 315.461 3.593 0 40 DHAB COc1ccc([C@H](C)NC(=O)COc2cccc(Cl)c2)cc1 113969346 IMAPULHZVVJOII-LBPRGKRZSA-N 319.788 3.605 0 40 DHAB COC(=O)c1cn(C(=O)c2cccc(Cl)c2)c2ccccc12 196513191 GDUAUQKFCUYTEB-UHFFFAOYSA-N 313.740 3.770 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccsc1)c1ccccc1Cl 206851215 DHDZWIQVCLEUMZ-LFAOLKIESA-N 321.829 3.919 0 40 DHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222769168 VFGXUPNSZOXNSK-CHWSQXEVSA-N 323.874 3.789 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 222941422 KBXKHBUJAOCLOB-UHFFFAOYSA-N 324.424 3.942 0 40 DHAB CC(C)Oc1cccc(CCCNC(=O)Cc2cccs2)c1 223201924 CQKKAVSBOLMWEJ-UHFFFAOYSA-N 317.454 3.827 0 40 DHAB CCCCCNC(=S)Nc1ccc(Oc2ccccc2)nn1 225188646 FHRBOTMQZYBPPQ-UHFFFAOYSA-N 316.430 3.746 0 40 DHAB Cn1nc(-c2ccccc2)cc1CNCc1ccc(F)s1 256053971 UKBNVYBVMWYFHL-UHFFFAOYSA-N 301.390 3.578 0 40 DHAB c1ccc2c(C[C@@H]3CCN(Cc4cncs4)C3)ccnc2c1 257272818 NDZMJIFTPZZVGF-AWEZNQCLSA-N 309.438 3.756 0 40 DHAB c1cnc2ccc(CN3CC[C@@H](Cc4nccs4)C3)cc2c1 257301107 RXAGYVQUHXDIOI-HNNXBMFYSA-N 309.438 3.756 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)c1cccs1 306145437 FJSBJELHHMWXAP-VIFPVBQESA-N 300.263 3.640 0 40 DHAB COc1ccc(-c2ccc(CCNC(C)=O)cc2)cc1Cl 1704879 YCXDAMIQLTVUIR-UHFFFAOYSA-N 303.789 3.694 0 40 DHAB O=C(O)[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@@H]1C(=O)O 1731614 ZQKNZDZRSDGSBU-ROUUACIJSA-N 322.360 3.793 0 40 DHAB C[C@@H]1CC[C@H]([C@](O)(C(=O)c2ccccc2)c2ccccc2)C(=O)C1 1757660 GXTBEGWKZYADOA-YWMUFLPLSA-N 322.404 3.762 0 40 DHAB Cc1ccc2c(COc3ncnc4sccc34)cc(=O)oc2c1 2637535 YGPVRKMOCLKPQW-UHFFFAOYSA-N 324.361 3.685 0 40 DHAB CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccccc1 3252529 GTFPIHKKRRDBHE-UHFFFAOYSA-N 322.364 3.725 0 40 DHAB COc1ccc2c(c1)C[C@@H]1c3[nH]c4ccccc4c3CCN1C2 3590945 CJFJXYGEGHXRNB-LJQANCHMSA-N 304.393 3.832 0 40 DHAB CC(C)(C)OC(=O)[C@H](C(=O)Cc1ccccc1)c1ccccc1 3847978 XYOUGEMLCVAPKX-SFHVURJKSA-N 310.393 3.924 0 40 DHAB biogenic Cc1ccc(Cl)cc1-n1c(=O)oc2ccc(Cl)cc2c1=O 4702732 XCAUOFHBJCBHDB-UHFFFAOYSA-N 322.147 3.559 0 40 DHAB COc1ccccc1-c1nn2c(-c3cccs3)nnc2s1 4939165 VHHQAKOHMNYQCF-UHFFFAOYSA-N 314.395 3.590 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 5169638 AGRLPUGVCFIYSN-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(F)cc1)CC3 5322105 DHQMSCVPLIIXOM-UHFFFAOYSA-N 324.355 3.514 0 40 DHAB S=C1NC(c2ccccc2Cl)=C[C@@H](c2ccccc2)N1 5604247 ZJMCRNDSIWQBJM-AWEZNQCLSA-N 300.814 3.900 0 40 DHAB CNc1ccccc1C(=O)Nc1ccc(Br)cc1 6247609 JEAYQGZOUIUVLD-UHFFFAOYSA-N 305.175 3.743 0 40 DHAB S=C(NCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2 6334737 JHGKLNSHBBVAPT-UHFFFAOYSA-N 314.498 3.867 0 40 DHAB Cc1cccc(C(=O)OCCCC(=O)c2ccc(F)cc2)c1O 7701429 FTUGDSHGOYAPOX-UHFFFAOYSA-N 316.328 3.660 0 40 DHAB C[C@H]1C(=O)Nc2ccc(-c3csc(-c4ccccn4)n3)cc21 8297235 HSSMDPLMYLYIGW-SNVBAGLBSA-N 307.378 3.928 0 40 DHAB Cc1ccc2oc(C(=O)NCc3ccccc3Cl)cc2n1 8798533 ZWKMCHNEEBMNOF-UHFFFAOYSA-N 300.745 3.720 0 40 DHAB CC(=O)Nc1ccc(C(=O)OCc2cccc3cccnc23)cc1 11148437 XJGFQGOKRFXLGX-UHFFFAOYSA-N 320.348 3.550 0 40 DHAB Cc1ccc(CNC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 11544341 GGGSMVQNBOYZNS-UHFFFAOYSA-N 322.412 3.559 0 40 DHAB CC(C)c1ccc(OC(C)(C)C(=O)O)c(Br)c1 11864757 HCLZEOGBKUECMU-UHFFFAOYSA-N 301.180 3.815 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)Nc1onc2c1CCCC2 11915004 LMVVNDFPTKWEIJ-UHFFFAOYSA-N 320.776 3.533 0 40 DHAB C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccccc1 12422117 CGJIXCKGUXPFAD-AWEZNQCLSA-N 306.365 3.762 0 40 DHAB Cc1cccc(C(=O)NCc2ccc(CN3CCCC3)cc2)c1C 12919768 LFFMARIJFQGEHM-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB O=C(Cc1cccs1)Nc1cccc(OC(F)(F)F)c1 12930555 MFNDTMQQBCELBT-UHFFFAOYSA-N 301.289 3.828 0 40 DHAB CCc1noc(C)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 13330719 RSVMROYDIADUQW-UHSVVUDUSA-N 316.445 3.880 0 40 DHAB Cc1nn(C)c2sc(C(=O)NCCC3=CCCCC3)cc12 14164054 DEBLYFSKZXMODW-UHFFFAOYSA-N 303.431 3.564 0 40 DHAB O=C(Cc1cccc(F)c1)N1CCCSc2ccccc21 14246681 ZKTQRZSXFSFXCL-UHFFFAOYSA-N 301.386 3.897 0 40 DHAB FC(F)(F)c1ncc(Br)cc1Br 16159927 UTMQHPKSSJHNBA-UHFFFAOYSA-N 304.891 3.625 0 40 DHAB CN(CCNC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 16724214 KLMVQUUJWQWXIU-FMIVXFBMSA-N 314.816 3.606 0 40 DHAB CC[C@@]1(C)Oc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2O1 19625098 FJLGXLATDAHTTG-SFHVURJKSA-N 323.352 3.713 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NC2CCCCC2)cc1OC 20486840 ZBIMRPWWEVYJIG-LBPRGKRZSA-N 323.458 3.633 0 40 DHAB O=C([C@@H]1Cc2ccccc2S1)N1CC[C@H]2CCCC[C@@H]2C1 22241010 RZLYCJDLTRLGTB-UNEWFSDZSA-N 301.455 3.742 0 40 DHAB Cc1nc(-c2ccc(Oc3ncnc4ccccc34)cc2)no1 24059317 MMKCGWCDQQUVOM-UHFFFAOYSA-N 304.309 3.781 0 40 DHAB CC(=O)Nc1ccc(CNC(=O)CCC2CCCCC2)cc1 24976513 VXENODKKICWHDR-UHFFFAOYSA-N 302.418 3.622 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Oc3ncccn3)c2)cc1 32027808 YGYOBJKCCHIHAV-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CC(=O)NCc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 32737985 SWZWFOGDSRPPCH-UHFFFAOYSA-N 310.397 3.698 0 40 DHAB COC(=O)c1c(COc2cccc3cccnc23)cccc1OC 35973585 DGPXCMNFDXZEBP-UHFFFAOYSA-N 323.348 3.609 0 40 DHAB CCCCc1nnc(NC(=O)c2cccc3c2ccn3C)s1 36365547 POGHNLWKRLUQLY-UHFFFAOYSA-N 314.414 3.625 0 40 DHAB CCOc1cccc2c1OCC(C(=O)Nc1ccccc1F)=C2 40107362 MNTFERJCDZMZLC-UHFFFAOYSA-N 313.328 3.639 0 40 DHAB CC(=O)c1ccc(OC(=O)/C=C/c2c(F)cccc2F)cc1 40128208 MODRZPQMUMQYPW-MDZDMXLPSA-N 302.276 3.786 0 40 DHAB Clc1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42772923 HTZXZHIJIMTRPU-SNVBAGLBSA-N 318.642 3.871 0 40 DHAB CCOc1ncccc1NC(=O)c1ccccc1C(F)(F)F 47974521 ODJXUXITTXJNTJ-UHFFFAOYSA-N 310.275 3.751 0 40 DHAB CCCCc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 59372340 YLBGJTGAYBDOPT-UHFFFAOYSA-N 324.424 3.593 0 40 DHAB CSc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 65758559 IFEXAASJHMFGFD-UHFFFAOYSA-N 308.406 3.887 0 40 DHAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C1CCC1 66036000 QVDRQSUOAGEQLA-CYBMUJFWSA-N 314.429 3.606 0 40 DHAB C[C@@H](Cn1cnc2c([nH]c3ccccc32)c1=O)c1ccccc1 71289374 AVMMZXQPODAEET-ZDUSSCGKSA-N 303.365 3.682 0 40 DHAB Cc1cccc(-c2noc(C[S@](=O)CC3CCCCC3)n2)c1 72242467 LDBCAVUXOWXDFW-QFIPXVFZSA-N 318.442 3.874 0 40 DHAB CC(=O)Nc1cccc(Oc2ccc([C@H]3CCCCN3)cn2)c1 72383142 DTFBAZMOIVTLJP-QGZVFWFLSA-N 311.385 3.647 0 40 DHAB CC(C)N(C(=O)CN1CC[C@H]1c1ccc(Cl)cc1)C(C)C 76093301 PUHLBFBJEIDREQ-INIZCTEOSA-N 308.853 3.732 0 40 DHAB O=C(N[C@@H](c1nccs1)C1CC1)N1CCC2(CCCCC2)C1 80456600 QJNRJUUTBSEEIY-CQSZACIVSA-N 319.474 3.960 0 40 DHAB O=Cc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 89262932 DOFGIVXBVOWHQM-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cnc(Oc2ccccc2)cn1 91047578 HQRJQEYMRWECEN-OKILXGFUSA-N 311.385 3.672 0 40 DHAB CN(C)Cc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 96410956 WDXOIDZEMTWUTJ-MRXNPFEDSA-N 312.438 3.576 0 40 DHAB CC(C)n1cc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)cn1 97231987 FPNREBHRHQSRSM-ZDUSSCGKSA-N 314.389 3.594 0 40 DHAB Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(F)c(Cl)c1F 97232784 USQXVEALXQLSPZ-ZCFIWIBFSA-N 314.719 3.714 0 40 DHAB COc1ccc(OC)c(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)c1 101655236 KPXMBXDBBYRIJD-AWEZNQCLSA-N 317.772 3.636 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@H](C)c3ccccc3)cc12 107153759 QMEKBJGBZAYRMV-GFCCVEGCSA-N 309.369 3.837 0 40 DHAB Cc1cc(Cl)ccc1CNCc1cccc(-c2nnc[nH]2)c1 129729248 RMLXBZVZQYTPHD-UHFFFAOYSA-N 312.804 3.723 0 40 DHAB O=C(Nc1ccc2c(c1)COC2)N[C@@H]1C[C@H]1c1ccc(F)cc1 193947566 BKBSSJCYDUBGTK-DLBZAZTESA-N 312.344 3.534 0 40 DHAB O=[S@@](C[C@H]1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1 194504793 RBEYHKFVBKSSAK-YLVJLNSGSA-N 312.740 3.645 0 40 DHAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccccc2Cl)no1 225811671 LNYXSAXJNJNGDA-NSHDSACASA-N 321.808 3.627 0 40 DHAB COc1ccc2c(c1NC(=O)c1ccc3ncoc3c1)CCC2 252509544 YQEPWSNGWFIBDC-UHFFFAOYSA-N 308.337 3.577 0 40 DHAB C[C@@]1(c2ccccc2)CC[C@@H](NCc2ccc(C(=O)O)cc2)C1 263387091 DGWVTPPEWSGJRB-UYAOXDASSA-N 309.409 3.985 0 40 DHAB S=C(Nc1cccc(N2CCCC2)c1)NC1CCCCC1 408548991 OXUYOLGCAVHYNS-UHFFFAOYSA-N 303.475 3.906 0 40 DHAB C[C@@H](NCc1ccsc1C(F)(F)F)c1ccnc(O)c1 529583643 CBTIGYRPNARFMN-MRVPVSSYSA-N 302.321 3.718 0 40 DHAB Cc1cccc(NC(=O)NCCn2nc(C3CC3)cc2C2CC2)c1 585300166 MQPMWBBCARLXBZ-UHFFFAOYSA-N 324.428 3.768 0 40 DHAB COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C 223 ZXFQRFXLFWWKLX-UHFFFAOYSA-N 323.392 3.839 0 40 DHAB biogenic,in-man Cc1cc(N)n(-c2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)c1 90078 DMEAPKFMVIBLRO-SECBINFHSA-N 312.442 3.806 0 40 DHAB CC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 339775 SYNYLGLKRLSVLN-UHFFFAOYSA-N 310.806 3.659 0 40 DHAB COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc(C)c1C 483708 SRTOPBXZSAJZRX-VOTSOKGWSA-N 321.423 3.865 0 40 DHAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1nccs1 520023 SCAGTMXIFFGCAD-UHFFFAOYSA-N 305.362 3.509 0 40 DHAB C[C@H](CCN(C)C)OC(=O)c1ccc([C@H](C)c2ccccc2)o1 1817506 UQKRKNYMJLVFPM-HUUCEWRRSA-N 315.413 3.928 0 40 DHAB CC[C@@H](C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1 3445086 PXKJYBFMSLIJJQ-QGZVFWFLSA-N 324.424 3.656 0 40 DHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 3510203 YCJNVLLGELBYMS-UHFFFAOYSA-N 303.745 3.560 0 40 DHAB O=C(O[C@H]1CCCC1=O)c1cc(-c2ccco2)nc2ccccc12 3559621 QTISBPWOVWJJHX-SFHVURJKSA-N 321.332 3.773 0 40 DHAB CC(C)[C@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)O 4192746 INLZWQCYKYWHOP-XQXASTNHSA-N 321.461 3.599 0 40 DHAB Cc1cc(N(C)Cc2ccccc2)c2cccc(C(=O)O)c2n1 4226578 GEDHSHSBTUYESN-UHFFFAOYSA-N 306.365 3.878 0 40 DHAB O=C(COC(=O)c1sc2ccccc2c1Cl)c1ccc[nH]1 4870865 OUMNDECCVUEBPY-UHFFFAOYSA-N 319.769 3.923 0 40 DHAB Cc1nc2ccc(NC(=O)COc3ccc(F)cc3)cc2s1 5578229 MZOQWSBRZOITGL-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB CC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)c(=N)s1 5726511 AVQUDJOXNFEIGB-UHFFFAOYSA-N 322.604 3.576 0 40 DHAB C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccncc1 6125213 RBIDMVHEHIRYIM-SNVBAGLBSA-N 309.196 3.808 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1CCCC[C@@H]1C 8731555 WCRUZAIOHJLYKG-HNNXBMFYSA-N 305.418 3.541 0 40 DHAB CC(C)c1ccc(OCC(=O)Nc2nnc(C3CC3)s2)cc1 9575757 HSOVYFXNRIDZQR-UHFFFAOYSA-N 317.414 3.556 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 9897632 LBCURPPLEZXHJX-UHFFFAOYSA-N 308.381 3.525 0 40 DHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1c(F)cccc1F 11308507 IKEHKGPRNHJYEM-UHFFFAOYSA-N 316.307 3.566 0 40 DHAB COc1cc(Nc2ccc(NC(=O)CC(C)C)cc2)nc(C)n1 12225180 UICINDYJMIAFSC-UHFFFAOYSA-N 314.389 3.522 0 40 DHAB CC(=O)c1ccccc1OCCOC(=O)c1c[nH]c2ccccc12 12740104 MEGZCOWBGYBQHB-UHFFFAOYSA-N 323.348 3.606 0 40 DHAB C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccc(Cl)cc1 12938902 NAHUOMXFOGTLLB-IUODEOHRSA-N 315.800 3.769 0 40 DHAB C=COc1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)cc1 13086680 ZCGJGANUVQIGIT-UHFFFAOYSA-N 322.364 3.671 0 40 DHAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1 13132161 CJELIFRFAHCATP-MSOLQXFVSA-N 320.396 3.741 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(C)c1 13646086 WMMGAORJIFGMHY-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)c2cc(C)ccc2C)cc1 14219075 YGCJCISZQMRPIF-HNNXBMFYSA-N 317.454 3.905 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(Cl)c1 16124951 NCDNGLSHQHRHRG-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19405464 ZNRZGTUVAIYTPE-QGZVFWFLSA-N 324.428 3.716 0 40 DHAB CCn1ncc(CN2CCCCC[C@H]2c2cc(C)no2)c1C 19523951 KUBBHBNYGDAYCB-INIZCTEOSA-N 302.422 3.625 0 40 DHAB COc1ccc(-c2[nH]c3ncccc3c2CN2CCCC2)cc1 19557824 URNTVMLQIRTWMQ-UHFFFAOYSA-N 307.397 3.834 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSC(C)(C)C 20045997 FAJQMFMHLPGCTF-CQSZACIVSA-N 309.475 3.800 0 40 DHAB O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 25238753 NDKCIQMEVPXAKO-QWHCGFSZSA-N 300.324 3.607 0 40 DHAB Clc1cc(Cl)cc(NCc2nc3n(n2)CCCCC3)c1 28527890 ANSBMZGUXBGIBN-UHFFFAOYSA-N 311.216 3.923 0 40 DHAB COc1ccc(-c2csc(CNC(=O)c3ccccc3)n2)cc1 32627834 QCYVXIPMNXAJLB-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc2ncsc2c1 32722148 SEZLTABPYWWKRV-ZDUSSCGKSA-N 310.378 3.550 0 40 DHAB CCc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)sc1C 32874019 PMQZVKJGTBRFPT-SNVBAGLBSA-N 317.410 3.839 0 40 DHAB O=C(NC1CCCCCC1)c1ccc(Cn2cc(Cl)cn2)o1 36623989 XPGDSYOHZKGIKL-UHFFFAOYSA-N 321.808 3.630 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38833154 NIMNESAALLKLFC-GOSISDBHSA-N 308.425 3.846 0 40 DHAB CCN(CCCNC(=O)c1sccc1C)c1ccccc1 40017228 ZBEIZGQBXLBNDF-UHFFFAOYSA-N 302.443 3.703 0 40 DHAB O=C(NCc1ccoc1)N[C@H]1CCSc2ccc(Cl)cc21 40145357 AOJZTPBWPRAYEC-ZDUSSCGKSA-N 322.817 3.969 0 40 DHAB CCOC(=O)c1cnc2cc(C)cc(C)c2c1Br 47913115 UFAPKWZLFGDFOH-UHFFFAOYSA-N 308.175 3.791 0 40 DHAB Cc1noc(COC(=O)c2cc(C(C)C)cc(C(C)C)c2O)n1 48289872 MBUULTSZEKPRJT-UHFFFAOYSA-N 318.373 3.687 0 40 DHAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(C1CCCC1)CO3 57099769 JOAKPEPLXRSPCZ-UHFFFAOYSA-N 313.397 3.758 0 40 DHAB CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 58183292 WAJMXFRMRUIJBO-KRWDZBQOSA-N 315.461 3.662 0 40 DHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc2ncccc12 60692337 WBCBAEOIIPKXRC-KBXCAEBGSA-N 312.413 3.560 0 40 DHAB O=C(c1occc1-c1ccccc1)N1CCC[C@H](n2cccn2)C1 65609531 KLZDNWJQFRXNGW-INIZCTEOSA-N 321.380 3.620 0 40 DHAB CC(C)(C)c1cc(NC(=O)c2cnc(-c3ccccc3)nc2)no1 69538046 YARZAWRMZVVCNA-UHFFFAOYSA-N 322.368 3.681 0 40 DHAB CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)c1cccc(Cl)c1 69550208 ZFXCWFMTTICYJN-OAHLLOKOSA-N 313.781 3.555 0 40 DHAB COc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)c(F)c1 71823500 CAABKBPORUWKES-LLVKDONJSA-N 303.333 3.793 0 40 DHAB CNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c(C)n1 72219128 GBXGTIRNLURGME-AWEZNQCLSA-N 305.422 3.894 0 40 DHAB Cc1ccc(C(=O)Nc2ccnc(Cc3ccccc3)n2)c(C)c1 89612092 LHJWPVXLEYSWID-UHFFFAOYSA-N 317.392 3.937 0 40 DHAB CC(C)(CO)[C@@H](CNC1Cc2ccccc2C1)c1ccccc1 90656861 SBMQZHDYLGKDCH-FQEVSTJZSA-N 309.453 3.546 0 40 DHAB Nc1sc2c(c1C(=O)c1ccc(OC(F)F)cc1)CCC2 95347571 HPNIMKFNTSWKTI-UHFFFAOYSA-N 309.337 3.651 0 40 DHAB in-vitro Cc1nc([C@@H](N[C@@H]2CCCc3sccc32)c2ccccc2)n[nH]1 95421727 KCQFDRQMUZYEPX-WBVHZDCISA-N 324.453 3.931 0 40 DHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1CCOCC1 95440399 XUQAFCLCPQTUNK-LBPRGKRZSA-N 310.463 3.521 0 40 DHAB CCO[C@@H](C)c1nc(Cn2ccnc2-c2ccccn2)cs1 96418340 LZINMLNLNDWINW-LBPRGKRZSA-N 314.414 3.547 0 40 DHAB Cc1cccc(-c2nnc(CN(C)c3cc(C(C)C)n[nH]3)o2)c1 96469721 CHAGXDHLUNWQNO-UHFFFAOYSA-N 311.389 3.528 0 40 DHAB Cc1cnc(CN[C@H](c2cccc(F)c2F)C(F)(F)F)o1 97086263 BISNHAGDAKOHSE-GFCCVEGCSA-N 306.234 3.654 0 40 DHAB CC(C)N(C(=O)c1scnc1C1CCCC1)C1CCOCC1 97115633 XZFPLWDGGWIOLI-UHFFFAOYSA-N 322.474 3.830 0 40 DHAB O=S(=O)(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2ccccc2c1 100950341 XMNUTAZIQGENFZ-KBRIMQKVSA-N 315.438 3.554 0 40 DHAB CCc1ccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 101275520 MCGVQRXAJXBGJQ-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB C[C@@H](NC(=O)Cc1cccc2cccnc12)[C@@H]1C[C@H]2CC[C@H]1C2 105665945 KRLZUYYLMTVSMN-OAOQPFQOSA-N 308.425 3.718 0 40 DHAB C[C@H]1C[C@H]1c1cc(NC(=O)[C@@H](C)c2ccc(Cl)s2)[nH]n1 176145104 KVVVCNFOLGHXHI-XHNCKOQMSA-N 309.822 3.990 0 40 DHAB Cc1ccccc1NC(=O)c1cnc(-c2cccc(F)c2)nc1 222619901 GSMYHDXPXKNOEB-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 224294555 XIGAGZAKHIUDCM-DLBZAZTESA-N 311.425 3.991 0 40 DHAB Cc1cccnc1NC(=S)NCCCSCc1ccco1 225595242 KJZJYDOPIPMCPB-UHFFFAOYSA-N 321.471 3.593 0 40 DHAB Cc1ccc(C)c(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)c1 225675864 DKLNXOKYNIEQID-INIZCTEOSA-N 323.392 3.662 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cn1 225903514 JUQBXDWJPLRPNW-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB Cc1ccc(CCC(=O)c2ccc(N3CCOCC3)cc2)s1 228932083 KZPZSAXLOWDBGX-UHFFFAOYSA-N 315.438 3.709 0 40 DHAB Cc1cc(CC[C@H]2CCCN2C(=O)c2ccc(C)s2)ccn1 257307788 TUCZBPXDOHWMLP-MRXNPFEDSA-N 314.454 3.997 0 40 DHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(F)cc1 345276 WBGUAGWIQFVSNY-UHFFFAOYSA-N 324.311 3.923 0 40 DHAB Clc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 532656 CIARWZKZGKXKHS-UHFFFAOYSA-N 313.773 3.568 0 40 DHAB COc1ccccc1C[C@@H](C)N[C@H](C)Cc1ccccc1OC 1648452 SKVZMKWCURTNKK-HZPDHXFCSA-N 313.441 3.856 0 40 DHAB in-man O=C(c1cccc(CN2CCCC2)c1)c1ccc(F)cc1F 2515089 YFFDKXHJSHEAKS-UHFFFAOYSA-N 301.336 3.792 0 40 DHAB CC(C)CN(C(=O)c1ccncc1)c1nc2ccccc2s1 2620816 CIVWPWSBCAPNSC-UHFFFAOYSA-N 311.410 3.994 0 40 DHAB COc1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 2621179 ZBNRBQKTMKXQSV-UHFFFAOYSA-N 311.259 3.846 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 2764784 NJXIIRNIYDRDJW-HNAYVOBHSA-N 309.409 3.956 0 40 DHAB Cc1ccc(-c2nnc(NCCCN(C)C)c3ccccc23)cc1 2889257 MXQHJEXIRAGIOT-UHFFFAOYSA-N 320.440 3.969 0 40 DHAB CSc1ccccc1NC(=O)CN(C)Cc1ccccc1F 3327143 QBEOBVUMMQLION-UHFFFAOYSA-N 318.417 3.618 0 40 DHAB COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1OC 3334610 URVNLWWLTPGJJR-MRXNPFEDSA-N 311.381 3.511 0 40 DHAB COc1cccc(NC(=S)N2CCC[C@@H](C(F)(F)F)C2)c1 3388563 MVXXXWSECZUNBK-SNVBAGLBSA-N 318.364 3.666 0 40 DHAB C[C@H](O)CCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)CC2 3844789 CACXCWDOGLCTAA-CVEARBPZSA-N 323.436 3.982 0 40 DHAB biogenic COc1ccccc1C(=O)Nc1nc2c(F)cccc2s1 4331591 MZJQDZAALKXDGC-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB CC1=C(Sc2nc3ccccc3s2)C(=O)NC(C)(C)C1 4656061 CEAKLYDAGCWNER-UHFFFAOYSA-N 304.440 3.961 0 40 DHAB CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]32)C1 5029505 JSKPSAAKLUVICH-FPMBYBGASA-N 317.473 3.833 0 40 DHAB Cc1ccc(OCCNC(=O)/C=C/c2ccccc2Cl)cc1 5541755 WJWLYQGKDWQJAX-DHZHZOJOSA-N 315.800 3.857 0 40 DHAB Cc1ccc(NC(=O)CNc2ccccc2)cc1Br 6256168 AJWAAWGQHHQCJW-UHFFFAOYSA-N 319.202 3.808 0 40 DHAB Cc1ccccc1OCCC(=O)Nc1cccc2cccnc12 6847683 WNCMFKSXEYTGTC-UHFFFAOYSA-N 306.365 3.951 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1 6935713 ITKKKCLCHZJBEQ-UHFFFAOYSA-N 322.474 3.639 0 40 DHAB O=C(NC1CC1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 6986975 YICSUMXFWMQJJQ-MRXNPFEDSA-N 319.763 3.878 0 40 DHAB Cc1c(Cl)c(CSc2nnc(N)s2)nc2ccccc12 8496487 RVYCTLNVRVZLHE-UHFFFAOYSA-N 322.846 3.923 0 40 DHAB Cc1c(Cl)cccc1-c1ccc(CNCCCN(C)C)o1 8548496 JRTISELMZVGGJM-UHFFFAOYSA-N 306.837 3.950 0 40 DHAB O=C(Nc1cccc2ccccc12)c1ncn(-c2ccccc2)n1 8715349 CAGYSQJCTRVBAW-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB CCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1 9141411 FDYABQIWJAZORT-UHFFFAOYSA-N 322.412 3.886 0 40 DHAB CCc1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 12443884 IQEFMFWAJKKLQB-UHFFFAOYSA-N 311.316 3.690 0 40 DHAB COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 12607953 UZNOIHBITBSIHT-IBGZPJMESA-N 318.376 3.610 0 40 DHAB COc1cccc(CN(C)C(=S)Nc2cccc(C)c2)c1 13656253 BDYNYXINAYHYHG-UHFFFAOYSA-N 300.427 3.832 0 40 DHAB COc1cccc(CCCNC(=O)c2cccc(Cl)c2)c1 13670958 QIDXNPUCXIGRFT-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Cl)cc1 13676706 PKGKFLFAWPMLAH-LBPRGKRZSA-N 321.829 3.621 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cnn(Cc2ccccc2)c1 14795819 RRWSONZTVVTHCI-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB CCCCC(=O)NC(=S)Nc1cccc2c(O)cccc12 17030835 SXPTUGIWPAGPQO-UHFFFAOYSA-N 302.399 3.549 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)Oc3ccccc3)ccc21 17289083 RVRVZCPZRKQQKP-UHFFFAOYSA-N 310.353 3.597 0 40 DHAB O=C(CCc1cccnc1)Nc1ccccc1N1CCCCC1 23793056 UUGOVKHDWUZSDT-UHFFFAOYSA-N 309.413 3.643 0 40 DHAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(OC)cc1 25512984 PSHJEFRXESXOHT-KSSFIOAISA-N 313.397 3.730 0 40 DHAB Cc1cccnc1NC(=O)Cc1csc(-c2ccsc2)n1 27651851 AMNOOMGGVGVUQE-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB C[C@@H]1CCc2noc(NC(=O)Cc3ccc(Cl)cc3)c2C1 27794709 SSSMCEXILUNMRE-SNVBAGLBSA-N 304.777 3.634 0 40 DHAB CCCC[C@@H](CC)CNC(=O)c1cc(C)nc2c1c(C)nn2C 29431509 TTZVWYYYHIFOBR-CQSZACIVSA-N 316.449 3.531 0 40 DHAB Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)on1 32740799 MDDGLBDAYFJLBE-UHFFFAOYSA-N 319.792 3.879 0 40 DHAB CC(C)CC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 32924669 GBASHSSCMKNSFP-HNNXBMFYSA-N 312.413 3.884 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)c1cnc(-c2ccccc2)s1 40132419 GXTDCIRFIBFBDE-CAPFRKAQSA-N 323.421 3.609 0 40 DHAB COc1ccc(NC(=O)N(CC(C)C)CC(F)(F)F)cc1 40150036 SYVPVKAKRRAJRM-UHFFFAOYSA-N 304.312 3.747 0 40 DHAB Clc1ccccc1OCCOc1ccc(-c2nnco2)cc1 40159352 FESKPIQTSNSBES-UHFFFAOYSA-N 316.744 3.848 0 40 DHAB CN(C)C(=O)c1cccc(NC(=O)NC2CCCCCCC2)c1 43992961 OUCNVLUDBGSCOM-UHFFFAOYSA-N 317.433 3.623 0 40 DHAB CCc1ncc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)s1 48367637 NVHKSBLFOFNSIJ-NSHDSACASA-N 304.415 3.514 0 40 DHAB CCCCNC(=O)C1CCN([C@@H](C)c2cccc(F)c2)CC1 56284061 PZFSHYAAXYIAND-AWEZNQCLSA-N 306.425 3.515 0 40 DHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3C)CC2=O)c1 59227269 PJDSPRHAYNZHKC-INIZCTEOSA-N 322.408 3.603 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@H](n2ccnc2)C1 69657285 YUFPIYUOBROIKX-AWEZNQCLSA-N 311.410 3.575 0 40 DHAB CC(C)c1noc(-c2ccc(NC(=O)CC(F)(F)F)cc2)n1 69704656 SNTCCMHEFCUODQ-UHFFFAOYSA-N 313.279 3.751 0 40 DHAB CNc1ncc([C@H]2CCCCN2C(=O)OC(C)(C)C)cc1C 72219009 PAPYIOYNNYUPJJ-CQSZACIVSA-N 305.422 3.894 0 40 DHAB Cc1ccc2oc(C(=O)NCC[C@H](O)c3ccccc3)c(C)c2c1 72243115 UHYAHWXOJYUVQJ-KRWDZBQOSA-N 323.392 3.903 0 40 DHAB CCO[C@@H]1C[C@@H](NC(=O)c2sc(C)cc2OC)C12CCCC2 72303473 LCJQZXDRXVBNQO-ZIAGYGMSSA-N 323.458 3.533 0 40 DHAB O=C(c1cccc(CNC/C=C/c2ccccc2)c1)N1CCCC1 78979830 HUMXXLMQQOVCFL-YRNVUSSQSA-N 320.436 3.726 0 40 DHAB Cc1ccc([C@H](O)CN[C@H](C)c2ccccc2-n2cccn2)cc1 84148699 QYBFIDPEFVGDFE-OXQOHEQNSA-N 321.424 3.565 0 40 DHAB O=C(NCc1ccc2c(c1)CCC2)[C@H]1C[C@@H]1c1cccc(F)c1 84372161 SIJMNEZUZFNHBQ-MOPGFXCFSA-N 309.384 3.734 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NC[C@@H](C)c2c(C)noc2C)c1 90762850 ZVSACHBDANCMJU-NEPJUHHUSA-N 315.417 3.704 0 40 DHAB C[C@H](NC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1csc(C2CC2)n1 96440223 MYEIZRAJFXYJOM-FPMFFAJLSA-N 317.458 3.689 0 40 DHAB Cc1ncc(CNCc2cc(C(C)C)no2)n1-c1ccccc1 96460027 VLXGCSXFJACURK-UHFFFAOYSA-N 310.401 3.582 0 40 DHAB COc1cc(NCc2cc[nH]c2)ccc1NC(=O)OC(C)(C)C 96482786 UJORLASTTKTLGS-UHFFFAOYSA-N 317.389 3.982 0 40 DHAB CCOC(=O)N/C(=C\c1ccccn1)c1ccc(Cl)cc1 104268851 SNCOGJDIPQBWQF-PTNGSMBKSA-N 302.761 3.979 0 40 DHAB Cn1/c(=N\C(=O)c2ccc3ccccc3n2)sc2ccccc21 104992587 LQPYHECLLRHBGW-CZIZESTLSA-N 319.389 3.529 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 113954823 WRMMKKLGHXNWQL-VQHPVUNQSA-N 301.430 3.684 0 40 DHAB COc1ccccc1-c1nnc(CSc2ccoc2C)o1 131400396 QGPKEGNCNZBDPW-UHFFFAOYSA-N 302.355 3.939 0 40 DHAB c1cncc(CNc2nnc(Cc3ccc4ccccc4c3)o2)c1 181952530 XJQYTSXEHFOQFN-UHFFFAOYSA-N 316.364 3.821 0 40 DHAB O=C(O)c1ccc(NC(=S)NCc2ccccc2)cc1Cl 216927638 KMVHMVCXGTWCBN-UHFFFAOYSA-N 320.801 3.525 0 40 DHAB C[C@H](Sc1ccccc1)C(=O)NCCOCc1ccccc1 223409903 ODDVVTADCAFWNS-HNNXBMFYSA-N 315.438 3.500 0 40 DHAB COc1ccccc1O[C@H](Cc1cccc(Cl)c1C)C(=O)O 225071369 RDRQUWWVANPKIA-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB COC(=O)c1ccc(C)c(NC(=S)NC(C(C)C)C(C)C)c1 225327039 GHYPPRKNUMUCFS-UHFFFAOYSA-N 322.474 3.749 0 40 DHAB Cc1cc(C)c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C 225651649 NHYJPQCYYJHBRY-UHFFFAOYSA-N 310.397 3.566 0 40 DHAB Cc1cnc(C(=O)N(c2ccsc2)C2CCCCC2)cn1 278588006 ZGJISPCSAWZNMI-UHFFFAOYSA-N 301.415 3.826 0 40 DHAB CCOC(=O)CCCC(=O)c1ccccc1OC(F)(F)F 575358883 HNQKNSVPPNJEJB-UHFFFAOYSA-N 304.264 3.501 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)CSc2ncccn2)cc1 42874 VMMQIFUXVIUDNG-LBPRGKRZSA-N 301.415 3.721 0 40 DHAB Cc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1 127413 OKOMERYGOHLZPI-UHFFFAOYSA-N 313.360 3.756 0 40 DHAB COc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1 510440 BXSZIWJADRAOEC-UHFFFAOYSA-N 309.369 3.926 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Oc3cc(C)cc(C)c3)CC2=O)cc1 4610686 HGHDDDSHDOXEJB-INIZCTEOSA-N 323.392 3.570 0 40 DHAB CCSc1nsc(NC(=O)Nc2ccccc2Cl)n1 4898338 KVYLOXFGGCGDNW-UHFFFAOYSA-N 314.823 3.948 0 40 DHAB Cc1ccc(NC(=O)OCc2ccccc2)cc1N1CCCC1=O 5440815 LZNSSXRNSZXOFW-UHFFFAOYSA-N 324.380 3.871 0 40 DHAB CSCCCNC(=S)N(C)c1ccc2ccccc2c1 5687545 FWXNUPCDIODWCI-UHFFFAOYSA-N 304.484 3.904 0 40 DHAB Cc1cc(O)c2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c1 5730265 ZNAXDOVSCCDHRA-UHFFFAOYSA-N 318.332 3.660 0 40 DHAB Cc1csc(NC(=O)c2ccc(COc3ccccc3)o2)n1 6509746 DLCCNAAUZWNBBD-UHFFFAOYSA-N 314.366 3.876 0 40 DHAB Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2C[C@@H]2C)c2ccccc2)cc1 6639962 WPZORLNZTXBGHQ-BMGDILEWSA-N 323.392 3.874 0 40 DHAB O=Cc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 7263314 PNWJGXPUUXQXIQ-UHFFFAOYSA-N 323.270 3.535 0 40 DHAB Cc1sc2nc([C@@H](C)N3C[C@@H](C)C[C@@H](C)C3)[nH]c(=O)c2c1C 7738209 KOUMTNYUKLAYJE-JFGNBEQYSA-N 319.474 3.640 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2cccs2)c1C 7987531 UFUAEWLWWAIQNT-ZDUSSCGKSA-N 316.426 3.873 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2o1 8449488 WGFWZACGIGRWFO-UHFFFAOYSA-N 306.321 3.595 0 40 DHAB CCOc1ccc(NC(=O)C[C@@H](C)n2nc(C)c(C)c2C)cc1 8714557 TUJCEVXKMMLHKH-GFCCVEGCSA-N 315.417 3.797 0 40 DHAB Cc1cccc(-c2nnc3sc(CCc4ccccc4)nn23)c1 9227240 TVKADHVMKQORNA-UHFFFAOYSA-N 320.421 3.946 0 40 DHAB C[C@@H](Sc1nnc[nH]1)C(=O)n1c2ccccc2c2ccccc21 10381934 OVKTYMFYASAERU-LLVKDONJSA-N 322.393 3.734 0 40 DHAB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccs1 10852108 XLOOKIQZBMZZHT-HNNXBMFYSA-N 303.383 3.604 0 40 DHAB Cc1cc2nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c2cc1C 12144811 VEGIVSLUWVBYHU-QGZVFWFLSA-N 320.396 3.552 0 40 DHAB Cc1nc2c(C)cccc2cc1C(=O)NCCCc1ccccn1 12148600 KMCHGGFCYNNTNM-UHFFFAOYSA-N 319.408 3.609 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCC2 12923015 FPIJLGOKIQYPAD-UHFFFAOYSA-N 309.365 3.604 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCCC[C@H]1C 13132143 VTDUMFHAAHMNGU-CRAIPNDOSA-N 314.473 3.802 0 40 DHAB CCc1ccc(C(=O)[C@@H](C)Sc2nc(C(C)C)n[nH]2)cc1 14162239 XUENLTPORFDNHV-LLVKDONJSA-N 303.431 3.854 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)cc1C 15357614 LRTVULVJUYKNOW-CQSZACIVSA-N 301.361 3.526 0 40 DHAB CCNc1nc(Nc2ccc(C)c(Cl)c2)c2cnn(C)c2n1 15952770 VOYVLIARKMNWRB-UHFFFAOYSA-N 316.796 3.501 0 40 DHAB O=c1c2ccccc2nc2sc(-c3ccccc3Cl)nn12 17052596 VQGBISKIYYBHTR-UHFFFAOYSA-N 313.769 3.625 0 40 DHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 17310852 AWJQHUSRHUQUAI-RTBURBONSA-N 317.388 3.937 0 40 DHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccncc1 20481494 NKXGAMVUTRGHFI-SFHVURJKSA-N 320.392 3.709 0 40 DHAB Cc1ccccc1NC(=O)CCCc1nc(-c2ccco2)no1 21524068 SKLZAOVBCVGCSM-UHFFFAOYSA-N 311.341 3.599 0 40 DHAB O=S(=O)(Cc1ccccc1)c1csc(-c2ccccc2)n1 27562029 HTBSFQRVUJFZSP-UHFFFAOYSA-N 315.419 3.784 0 40 DHAB Cc1ccc(C(=O)Nc2sc(C(C)C)cc2C(N)=O)s1 27926870 VVILSVVVWGCCLA-UHFFFAOYSA-N 308.428 3.593 0 40 DHAB Cc1ccc(OCCC(=O)Nc2cc(F)cc(F)c2)c(C)c1 32424733 SMDZIWUABBLRQK-UHFFFAOYSA-N 305.324 3.989 0 40 DHAB CCCCCC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33053684 CHPMQJHFSSAUQE-UHFFFAOYSA-N 323.458 3.922 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(C(C)(C)C)no1 33149318 WSYXWDUFRGSCLB-UHFFFAOYSA-N 321.808 3.900 0 40 DHAB C[C@H]1C[C@@H](OC(=O)/C=C/c2cccc(-c3ccccc3)c2)C(=O)O1 46494576 WDJCWWJRYJVYAC-LVDURTMUSA-N 322.360 3.614 0 40 DHAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccccc1F 47375207 SLPRQHNEZKQREK-UHFFFAOYSA-N 315.348 3.608 0 40 DHAB Cc1cc(C)cc(NS(=O)(=O)Cc2ccccc2Cl)c1 59291670 XRRMRKIKKJFIKC-UHFFFAOYSA-N 309.818 3.899 0 40 DHAB O=S(=O)(CC1CCCCC1)N[C@@H](c1ccccc1)C1CC1 72230464 XNANDXCBGVLLQB-KRWDZBQOSA-N 307.459 3.637 0 40 DHAB CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359280 MBBDDGBSUPFRHX-ZDUSSCGKSA-N 321.346 3.972 0 40 DHAB CCOCCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 77003178 OTIWRMZYOPRKCU-RBUKOAKNSA-N 315.457 3.764 0 40 DHAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccc(O)cc2)C1 85806602 WKQHANUPWDNFQT-ZDUSSCGKSA-N 323.327 3.841 0 40 DHAB CCCn1nc(C)c(CNCc2ccc(-c3cc[nH]n3)cc2)c1C 95414135 FVLQODLKOSQCAO-UHFFFAOYSA-N 323.444 3.590 0 40 DHAB Clc1ccc(OC[C@@H]2CCCO2)c(NCc2cccnc2)c1 95428761 AVYICOZLWAGAGJ-HNNXBMFYSA-N 318.804 3.905 0 40 DHAB O=C(N[C@H](CCCO)c1ccccc1)c1coc2ccccc12 95445722 SPLRIYUGDMUSMN-QGZVFWFLSA-N 309.365 3.676 0 40 DHAB c1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cs1 96056999 WMUHCITWGNZEDZ-QZTJIDSGSA-N 321.486 3.546 0 40 DHAB O=C(O)/C=C/c1ccc(NC(=O)c2cccc3cc[nH]c23)cc1 96426899 ROMVRBWWHKVNPE-RMKNXTFCSA-N 306.321 3.518 0 40 DHAB CC[C@@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96519542 YWJJZWUUUUAZFU-ROUUACIJSA-N 318.438 3.600 0 40 DHAB CC(C)[C@@H]1CCCCN1C(=O)Nc1ccccc1C[S@@](C)=O 160309263 QBZRFIZUBIDNMF-AOMKIAJQSA-N 322.474 3.608 0 40 DHAB CN(Cc1ccncc1)Cc1csc(-c2ccsc2)n1 183741842 HBZILWYARONLMD-UHFFFAOYSA-N 301.440 3.899 0 40 DHAB COc1ccc(OC[C@@H](C)NC(=O)c2cc(C)ccc2C)cc1 223165130 YMNPPQUGXJHAJV-OAHLLOKOSA-N 313.397 3.509 0 40 DHAB CC(C)CSc1nnc(NC(=O)c2ccccc2F)s1 224146759 GTPULGHIKYBUDI-UHFFFAOYSA-N 311.407 3.678 0 40 DHAB CCOc1ccc(C(=O)N2CCCCC2)cc1COCC(C)C 224740160 NTNLGJGYPNGKPS-UHFFFAOYSA-N 319.445 3.884 0 40 DHAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225645364 JOIYOSKMQZXBHE-SCLBCKFNSA-N 305.418 3.926 0 40 DHAB Cc1cccc(NC(=S)N[C@@H](C)COc2ccccc2)c1 225781142 BSGVRGPITNNVSF-AWEZNQCLSA-N 300.427 3.749 0 40 DHAB CCCOc1ncc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225889918 RUEPZLZRILQSHT-SCLBCKFNSA-N 320.433 3.713 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 253479676 RSMCDIGUYNLUPN-VBXOEGAOSA-N 323.521 3.842 0 40 DHAB FC(F)(F)c1cc(N2CCC[C@H](c3nccs3)C2)ccn1 330031600 ATGLKFAXRXARAV-JTQLQIEISA-N 313.348 3.941 0 40 DHAB COc1ccc2c(c1)[C@H](NCc1ccccc1CO)CCS2 390833627 KNFJKLXBVSTLKU-QGZVFWFLSA-N 315.438 3.514 0 40 DHAB COc1ccc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1 538891390 RQHGNBMYUIBHKN-UHFFFAOYSA-N 313.372 3.587 0 40 DHAB FC(F)Oc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1 2298094975 ZFMVFGWQSHMNGB-UHFFFAOYSA-N 317.299 3.506 0 40 DHAB COC(=O)c1cccc(Oc2ncnc3sc(C)c(C)c23)c1 87742 FOFZAJYPZRVHFW-UHFFFAOYSA-N 314.366 3.887 0 40 DHAB CCc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1 130718 FEAGQRFEXONTQE-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB CCC1=[N+]([O-])[C@@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C 509504 BPPPIUPSZKIVLX-GFCCVEGCSA-N 303.189 3.837 0 40 DHAB C[C@@H]1Oc2ccccc2C=C1/C=C1/N=C(c2ccccc2)OC1=O 1481433 CSAOVZIYSPZVLG-VLURKWGBSA-N 317.344 3.738 0 40 DHAB C[C@@H](NC(=O)CSc1ccccc1F)c1ccc(F)cc1 3442376 QMWMDQZGCODCFN-LLVKDONJSA-N 307.365 3.934 0 40 DHAB c1ccc(COc2ccc(CNCc3ccccn3)cc2)cc1 4240741 ISPSMRJSKGJOLD-UHFFFAOYSA-N 304.393 3.950 0 40 DHAB Cc1cccc(C)c1NC(=O)CSc1ccccc1C(=O)O 4619634 LDFDOEGOTZJBLV-UHFFFAOYSA-N 315.394 3.732 0 40 DHAB CC(C)(C)NC(=O)CCSc1nc2cc(Cl)ccc2o1 4740830 NBWAZIXPNMDNPE-UHFFFAOYSA-N 312.822 3.878 0 40 DHAB CCOc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 5240626 INMGRTBBSDOZTJ-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 5248582 LBCJRGMRQMILPA-UHFFFAOYSA-N 320.392 3.861 0 40 DHAB O=S(=O)(Nc1ccccc1)c1ccc(C(F)(F)F)cc1 7052520 IASRHMAELYWDRZ-UHFFFAOYSA-N 301.289 3.506 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 7612525 RMRVMTQYEUXBMQ-LFYBBSHMSA-N 324.355 3.604 0 40 DHAB CCc1cccc(CC)c1NC(=O)CN(C)Cc1ccsc1 7926887 QBMRNZOUVLKWJI-UHFFFAOYSA-N 316.470 3.943 0 40 DHAB C[C@H](Sc1ccccc1)C(=O)NCCCN1CCCCCC1 10111104 VYSSMTQDDWBPLK-INIZCTEOSA-N 320.502 3.550 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)NCCCCc1ccccc1 12506254 FGAZOCLJMDLDNZ-UHFFFAOYSA-N 321.424 3.635 0 40 DHAB C[C@@H]1CCCC[C@H]1NC1=NN=C(c2ccc(F)c(F)c2)CS1 12797617 ZXNLMFGPQIXCCO-QMTHXVAHSA-N 323.412 3.940 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)OCO2 14201508 GDCAZWBMURBEDX-CYBMUJFWSA-N 315.394 3.626 0 40 DHAB Cc1ccccc1OCCC(=O)Nc1ccc(F)c(F)c1F 15003108 NFXGDNBSPSEVFT-UHFFFAOYSA-N 309.287 3.820 0 40 DHAB O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccccc1 19683028 UFGLQGNSTVGPIH-UHFFFAOYSA-N 319.769 3.656 0 40 DHAB Cc1nc(Nc2ccccc2)nc2c1ncn2-c1ccccc1 20059022 DEUGKSOYTHZDSE-UHFFFAOYSA-N 301.353 3.868 0 40 DHAB O=C(c1n[nH]c2ccccc12)N(Cc1ccc(F)cc1)C1CC1 22700293 ANKXNNCZUWSAJA-UHFFFAOYSA-N 309.344 3.507 0 40 DHAB COc1ccc(OC)c(NC(=O)Nc2cc(C(C)(C)C)on2)c1 27925241 MIQRSISKJKBVCM-UHFFFAOYSA-N 319.361 3.633 0 40 DHAB Cc1cc(NC(=O)c2cc(C)oc2C)n(-c2ccc(F)cc2)n1 28219979 HMUZBKGFJDAUQU-UHFFFAOYSA-N 313.332 3.782 0 40 DHAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccccc1Cl 31968869 GURNYKLEBPMLPM-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB CC(=O)c1nn(-c2ccc(F)cc2)cc1C(=O)c1cccs1 36649142 SFXWXUGVENSCPZ-UHFFFAOYSA-N 314.341 3.507 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc2[nH]ncc12 45956386 BSLSWTDIWPGZNT-OAHLLOKOSA-N 311.410 3.774 0 40 DHAB Cc1noc(C)c1C(=O)NCc1ccccc1OC1CCCC1 46782575 RMLIZOWVCYRAOU-UHFFFAOYSA-N 314.385 3.543 0 40 DHAB CCC[C@H](C(=O)NC1CCN(C(C)C)CC1)c1ccccc1 48302082 MPAVCBJCRCPKQR-SFHVURJKSA-N 302.462 3.559 0 40 DHAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC1CC1 48738162 BWKDLNLSMOPXEA-UHFFFAOYSA-N 324.384 3.923 0 40 DHAB Cc1ccc2[nH]cc(-c3nc(-c4ccccc4C)no3)c(=O)c2c1 57354764 WMOPLSWDFYOMOS-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB CC(C)OCCCN(Cc1ccncc1)Cc1cccs1 57797105 UGXFCOJZTNLENP-UHFFFAOYSA-N 304.459 3.960 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(C2CC2)nc2ccccc12 58174550 UIMHYLVVHLWZBA-AWEZNQCLSA-N 324.424 3.611 0 40 DHAB CCN(CCc1cccs1)CC(=O)Nc1c(F)cccc1F 58209856 GZLBSNNLFPOCLO-UHFFFAOYSA-N 324.396 3.529 0 40 DHAB CCOc1cccc([C@H](C)NC(=O)c2c(C)noc2C(C)C)c1 58265709 OWILSMBWINZPLL-LBPRGKRZSA-N 316.401 3.996 0 40 DHAB CC1(C)CC(NC(=O)c2sccc2C2CC2)CC(C)(C)N1 60476732 PNQIGVCHTQGYMD-UHFFFAOYSA-N 306.475 3.665 0 40 DHAB CCN(C(=O)c1cc(C)nn1CC)C12CC3CC(CC(C3)C1)C2 69438835 ASGYPGNWCMINQE-UHFFFAOYSA-N 315.461 3.642 0 40 DHAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccsc1 69813771 ORSHHZVFQHISEI-CYBMUJFWSA-N 321.373 3.697 0 40 DHAB O=C(CCCn1cncn1)Oc1ccc2oc3ccccc3c2c1 71903727 FOZOSZUUNZMTCM-UHFFFAOYSA-N 321.336 3.563 0 40 DHAB CC[C@@H](NC(=O)N1CCC2(CCOCC2)C1)c1ccc(C)cc1 73496628 OTGPXKJMFXEBIF-QGZVFWFLSA-N 316.445 3.658 0 40 DHAB Cc1ccc([C@@H](C)N(C)Cc2nc(-c3ccccn3)no2)s1 76749859 JSUKLACQRXAVHY-GFCCVEGCSA-N 314.414 3.695 0 40 DHAB CC[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)cc1F 84734134 BJIIIOCIGYJTQY-BLLLJJGKSA-N 305.372 3.780 0 40 DHAB CCn1ccc2ccc(NC(=O)N[C@H](C)C3CCOCC3)cc21 89309963 QRJRFMWXPDTHHP-CYBMUJFWSA-N 315.417 3.598 0 40 DHAB CCn1nc(C)c([C@@H](C)NCc2ccc(-n3cccn3)cc2)c1C 95420347 XBHCFFVUNZWADV-CQSZACIVSA-N 323.444 3.556 0 40 DHAB O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccncc1Cl 95443771 RSUCHZZTICTUAR-UHFFFAOYSA-N 322.702 3.801 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@]2(CO2)c2cc(Cl)ccc2C1 96510469 JONIRCORZDXQEX-MRXNPFEDSA-N 309.793 3.706 0 40 DHAB CC(C)N1CCCc2sc(C(=O)N(C)c3ccccc3)nc21 104760784 IMAFZNUFOKMTSO-UHFFFAOYSA-N 315.442 3.581 0 40 DHAB Cc1ccccc1NC(=O)[C@H](C)N1CC[C@H]2CCCC[C@@H]2C1 105548903 WBLURPAGRKIDKQ-GVDBMIGSSA-N 300.446 3.834 0 40 DHAB Cc1ccc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)o1 106670960 PBFIUZAIAUNKGB-UHFFFAOYSA-N 301.733 3.679 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Br)cc1 118311817 ATYDSIJHMSGNKM-NEPJUHHUSA-N 312.207 3.830 0 40 DHAB CCc1nc(C)c([C@H](C)Nc2cnn(CC(F)F)c2)s1 182643457 XNOAQKBETHOJHH-QMMMGPOBSA-N 300.378 3.649 0 40 DHAB Cc1ccc(CC(=O)NCCOc2cccc(C)c2C)c(C)c1 223966804 RDDSQYDFWFAZBD-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1Cl 224402249 BECIIZAUQGQJTI-NSHDSACASA-N 319.788 3.848 0 40 DHAB C[C@@H](NC(=O)c1ccc2oc(Cl)nc2c1)c1ccccc1 225977425 OUFDHICMHGGDGB-SNVBAGLBSA-N 300.745 3.972 0 40 DHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251240398 SSVZZSXNBFNIRC-MWDXBVQZSA-N 301.430 3.766 0 40 DHAB Cc1ccc(-c2ccc(OC(=O)c3ccc(F)cc3)nn2)cc1 408527553 GDZFIXUPTIZMOU-UHFFFAOYSA-N 308.312 3.810 0 40 DHAB CCN1CCC(NC[C@H](C)Oc2ccc(C(C)C)cc2)CC1 585082861 AATZNWOPAIGRHR-INIZCTEOSA-N 304.478 3.651 0 40 DHAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1cccs1 618256669 LGEDSXJUGORWNN-GFCCVEGCSA-N 303.408 3.965 0 40 DHAB COc1ccccc1CC(=O)Nc1ccccc1C(F)(F)F 37074 OBBRGMAGMHFDQS-UHFFFAOYSA-N 309.287 3.895 0 40 DHAB Cc1ccc(-n2nnnc2-c2c[nH]c3ccc(Cl)cc23)cc1 87498 AWOIVTYUCOZLKU-UHFFFAOYSA-N 309.760 3.772 0 40 DHAB CC/[S@](=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 136328 KMANZPQCTGXUSH-LJQANCHMSA-N 307.440 3.565 0 40 DHAB Cc1cc(C)c(NC2=NS(=O)(=O)c3ccccc32)c(Cl)c1 149295 BDXQVNSGFJGWME-UHFFFAOYSA-N 320.801 3.518 0 40 DHAB CCOc1ccccc1C(=O)Nc1nc2c(s1)CCCC2 249685 BBOGMWOLSLPVQC-UHFFFAOYSA-N 302.399 3.673 0 40 DHAB COc1ccc([C@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 340714 DEEATEZDZDETJW-UXHICEINSA-N 311.425 3.608 0 40 DHAB c1coc(CNc2nc(N3CCCCC3)nc3ccccc23)c1 356485 SRTQBUDNFLRBKO-UHFFFAOYSA-N 308.385 3.825 0 40 DHAB CCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 531265 UNIPUIPLJKMTDT-HNNXBMFYSA-N 319.408 3.885 0 40 DHAB COC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 545727 MHGTWACGQHJRII-UHFFFAOYSA-N 308.337 3.515 0 40 DHAB CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(C)cc1 987914 WDIHHTZLNUSLJY-UHFFFAOYSA-N 304.349 3.614 0 40 DHAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(F)cc1 1505105 YDFRTYJMIWCCKH-UHFFFAOYSA-N 308.284 3.966 0 40 DHAB Cc1cc(O)c(Cl)cc1C(O)(C(F)(F)F)C(F)(F)F 2479690 NDIRDIIUUFIYJE-UHFFFAOYSA-N 308.605 3.666 0 40 DHAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccn1 2630479 QOFCOGQIXMTECV-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB COc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1OC(F)F 2793278 JPPLANROKQDBRB-GHMZBOCLSA-N 313.344 3.700 0 40 DHAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NC1CCCC1 3318499 JNTUNPLBPQGSNA-UHFFFAOYSA-N 323.392 3.569 0 40 DHAB O=C(CSc1nc2ccccc2o1)Nc1cc(F)ccc1F 3465777 UAMGLAQHMVKYOK-UHFFFAOYSA-N 320.320 3.837 0 40 DHAB CCCn1c(NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 6313791 SRKLFACISNXPEN-UHFFFAOYSA-N 323.396 3.636 0 40 DHAB COCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 7539289 SPFTWOPDOJSNPU-UHFFFAOYSA-N 300.185 3.989 0 40 DHAB O=C(OCc1nc2ccccc2o1)c1ccc2ccccc2n1 8447758 QOOIHPOFAAHLPL-UHFFFAOYSA-N 304.305 3.733 0 40 DHAB N=c1c2ccccc2nc(S)n1Cc1ccc(Cl)cc1 9341654 UMGOQVGZTAOTFW-UHFFFAOYSA-N 301.802 3.506 0 40 DHAB COC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 10444971 MVIUWUDWGBUPRY-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB Cn1ncc2c(Oc3ccc(Cl)c4ccccc34)ncnc21 12484932 RKUNNILPYOFIJJ-UHFFFAOYSA-N 310.744 3.962 0 40 DHAB CCN(CC)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C 14238207 QRMHYZLGOLMPIM-CQSZACIVSA-N 313.869 3.853 0 40 DHAB O=C(Nc1ccc(F)cc1F)C1(c2ccccc2)CCOCC1 16985190 SOUHZISPFJFBRV-UHFFFAOYSA-N 317.335 3.652 0 40 DHAB COc1cccc(Nc2nc(C3CCNCC3)c3ccccn23)c1 19565933 COYZJWDKCBVPQP-UHFFFAOYSA-N 322.412 3.554 0 40 DHAB Cc1c(-c2ccccc2)c(CN2CCN(C)CC2)n2ccccc12 19681889 DSPJQDCDDXBRNP-UHFFFAOYSA-N 319.452 3.662 0 40 DHAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCc1ccccc1 19934167 VIKOKISPRXPDQE-INIZCTEOSA-N 311.425 3.936 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)O)c(Cl)c1 20145030 AMPPCDZTEOBIQQ-RMKNXTFCSA-N 301.729 3.690 0 40 DHAB Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccccc2)cc1 20451357 JVMNLEVTOKPCQC-FMIVXFBMSA-N 317.392 3.510 0 40 DHAB Cc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)s1 23486700 WFMAPXFLJDUTCB-UHFFFAOYSA-N 316.495 3.550 0 40 DHAB O=C(Nc1cccnc1)N(Cc1ccco1)Cc1cccs1 24535756 WOPXCNVETMAQRZ-UHFFFAOYSA-N 313.382 3.970 0 40 DHAB CSc1ncccc1C(=O)NCCCCc1ccccc1 32854781 KNESTITUGJENOY-UHFFFAOYSA-N 300.427 3.556 0 40 DHAB Cc1cccc(Oc2ccccc2NC(=O)C2=COCCO2)c1 32997805 AHCHATRAYQWNNB-UHFFFAOYSA-N 311.337 3.614 0 40 DHAB Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 39240066 AMMYTJRUNZRCJT-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB Cc1ccc(C)c(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)c1 40094982 UUSNHKVDMNCTMU-MRXNPFEDSA-N 318.804 3.812 0 40 DHAB CCOc1cccc(C(=O)NCCOc2cccc(C)c2C)c1 41156575 UZSBHVURLLVHLX-UHFFFAOYSA-N 313.397 3.511 0 40 DHAB CC(C)c1ccc(OC[C@H]2CCCNC2)c(Br)c1 42774717 GVYYXJYEMSSNNV-LBPRGKRZSA-N 312.251 3.951 0 40 DHAB CC(C)[C@H](Sc1ncc2ccccn12)C(=O)NC1CCCC1 42992114 IYDOGEPTOQDCKO-HNNXBMFYSA-N 317.458 3.510 0 40 DHAB c1ccc(Cn2cc(CNc3ncnc4sccc34)cn2)cc1 52243907 MDPPWNBLVNTXMS-UHFFFAOYSA-N 321.409 3.548 0 40 DHAB Cc1cc(Br)ccc1NC(=S)NC(C)(C)C 54923508 WBGMUWXACVNFOV-UHFFFAOYSA-N 301.253 3.842 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)N(C)CC2CCCC2)c1 58420149 FRBCIQZTULVQDH-UHFFFAOYSA-N 303.406 3.689 0 40 DHAB CC(C)(C)OCc1cccc(CNC(=O)CC[C@@H]2CCCO2)c1 65626239 UYNBORVXMYMDKY-KRWDZBQOSA-N 319.445 3.577 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 69582573 OGOKXHXVXYGVQG-LBPRGKRZSA-N 311.307 3.701 0 40 DHAB C[C@H](NC(=O)c1cn[nH]c1-c1cccs1)c1ccc(F)cc1 71115993 JXKMHWJEZFDPBJ-JTQLQIEISA-N 315.373 3.768 0 40 DHAB Cc1cccc(CNC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 72286242 HNPATLBIHINLLR-INIZCTEOSA-N 306.450 3.634 0 40 DHAB COc1cc(C)cc2c(C)c(C(=O)OCc3ccccn3)oc12 72295236 XZXGHCIFIDPDLT-UHFFFAOYSA-N 311.337 3.810 0 40 DHAB Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C(N)=O)cc2)o1 76120595 WJDJWQUPNWNYDY-CXAGYDPISA-N 312.413 3.660 0 40 DHAB Cc1cc(C(=O)Nc2ccnn2CCc2ccccc2)ccc1F 78414622 QBGZLJGYGXWEEM-UHFFFAOYSA-N 323.371 3.826 0 40 DHAB O=S(=O)(Nc1cccc2cc[nH]c12)c1ccc(Cl)s1 82345686 KRDCNJPWIPTGPV-UHFFFAOYSA-N 312.803 3.684 0 40 DHAB Cc1cc(C[S@](=O)[C@H](C)c2ccc(OC(F)F)cc2)no1 84117176 KIFQRCFILKXXFM-LADRHHBVSA-N 315.341 3.594 0 40 DHAB Cc1csc(N(C(=O)c2cc3c(s2)CCC3)C2CC2)n1 89705706 KNRZGIOBIGLVAE-UHFFFAOYSA-N 304.440 3.811 0 40 DHAB Cc1noc(C)c1CC(=O)N1CCCCC[C@@H]1c1ccccc1 95953253 HAVVFWCRRDJPGC-GOSISDBHSA-N 312.413 3.978 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1F 96659500 UUECLOUKPGGALZ-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1 101401204 HBUDBVAVBODQEG-HOTGVXAUSA-N 314.429 3.543 0 40 DHAB COc1ccc(CCCNC(=O)Cc2ccc(C)cc2C)cc1 223845863 SDGIRWOAWKPSLO-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1OC(C)C 224168299 YCWLFKLMGNXBCP-AWEZNQCLSA-N 313.397 3.973 0 40 DHAB CCOCc1cc(C(=O)NC2CCCCC2)ccc1OCC 224692400 RCHPWCQGVAOSMT-UHFFFAOYSA-N 305.418 3.684 0 40 DHAB Cc1ccc(C(=O)N2CCS/C2=C/c2c(C)noc2C)cc1 225248610 RHKIYBPWOLUCCX-MHWRWJLKSA-N 314.410 3.787 0 40 DHAB COC[C@@H](N[C@@H](C)c1ccc(Br)o1)c1ccco1 225575447 IGXQGKMEMFCRFN-VHSXEESVSA-N 314.179 3.673 0 40 DHAB CCOc1ccc(CCCNC(=O)NC2CCCCC2)cc1 225756843 BPYNBWHFNUNTMZ-UHFFFAOYSA-N 304.434 3.650 0 40 DHAB CC1(C)CC(=O)[C@H]2C(c3ccc(Cl)cc3Cl)=NN[C@H]2C1 228929527 QFJQQOZTBPMASU-AAEUAGOBSA-N 311.212 3.675 0 40 DHAB CC(C)N1CCC[C@H](c2cnc(-c3ccnn3C(C)C)cn2)C1 257204289 ATWBDXHALCEUOL-HNNXBMFYSA-N 313.449 3.509 0 40 DHAB Cc1noc(C)c1C(=O)N[C@H](c1ccsc1)c1cccs1 390827550 ZDIDLXICNZTQKD-CQSZACIVSA-N 318.423 3.934 0 40 DHAB Cc1nc2ccc(OC(=S)N3CCCCCC3)cc2nc1C 408735375 PDIBXZIQBILKJW-UHFFFAOYSA-N 315.442 3.786 0 40 DHAB CC(=O)Nc1ccccc1SCC(=O)Nc1cccc(C)c1 409180079 VJXNQMJKONHMHV-UHFFFAOYSA-N 314.410 3.684 0 40 DHAB CCCc1ccccc1Nc1cc(C(F)(F)F)nc2ncnn12 515544965 IYFCBADRGLXYHT-UHFFFAOYSA-N 321.306 3.839 0 40 DHAB O=C(N1C[C@H]2C[C@H]1CS2)C1(c2ccc(Cl)cc2)CCCC1 575616007 LLBYAYRVKBMKEU-LSDHHAIUSA-N 321.873 3.868 0 40 DHAB CC(C)[C@H]1COC(C2(C3=N[C@@H](C(C)C)CO3)CCCCC2)=N1 888086709 KRZPFTLDCGJNJC-HUUCEWRRSA-N 306.450 3.844 0 40 DHAB CN(C)c1ccc([C@@H]2OCC[C@@]3(CCOC(C)(C)C3)O2)cc1 517743 RNXCDKJGMRCTGF-AEFFLSMTSA-N 305.418 3.516 0 40 DHAB biogenic O=C1N2c3ccccc3Sc3cccc(c32)[C@@]1(O)C(F)(F)F 2349751 VXAPLOXEECSETK-AWEZNQCLSA-N 323.295 3.579 0 40 DHAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 2735068 OZQBWWHZFANMHF-HXUWFJFHSA-N 322.452 3.557 0 40 DHAB Cc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1 3317964 BUYHBFXJANFBJK-UHFFFAOYSA-N 314.168 3.884 0 40 DHAB COc1cccc(NC(=O)[C@H](NC2CCCC2)c2ccccc2)c1 3386155 IDMZMCJIJIJDQE-LJQANCHMSA-N 324.424 3.907 0 40 DHAB CC(=O)Nc1ccc2c(OC(C)=O)c(-c3ccccc3)[nH]c2c1 3844603 KAOWVSVWFWVTER-UHFFFAOYSA-N 308.337 3.719 0 40 DHAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O 4384976 PEAGCENQDLIFPK-AWEZNQCLSA-N 305.381 3.646 0 40 DHAB Cc1n[nH]c2c1[C@H](c1ccccc1Cl)S[C@H](C)C(=O)N2 6678468 ZKTSGSXKKFBBAW-PELKAZGASA-N 307.806 3.535 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(F)cc1 6830985 CWQXJLKRIIRBER-UHFFFAOYSA-N 322.383 3.850 0 40 DHAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(F)c2)cc1 7935354 PGNYKGFGWQZVJQ-LLVKDONJSA-N 305.374 3.954 0 40 DHAB C[C@H]1C[C@@H](Sc2nc3ccccc3n2-c2ccccc2)C(=O)O1 8135346 QFUITNJESBWXPH-BLLLJJGKSA-N 324.405 3.822 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 8555973 LNXNWIJYINHHHC-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB O=C1c2ccccc2N[C@@H](C2=Cc3ccccc3OC2)N1C1CC1 8710775 GWEHBRSQHDZXBZ-LJQANCHMSA-N 318.376 3.519 0 40 DHAB CCC(=O)Nc1nc(-c2cc3cc(OC)ccc3o2)cs1 10883091 WNOXPQYGHKRJGR-UHFFFAOYSA-N 302.355 3.913 0 40 DHAB COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2ccccn2)c1 12085291 YBKLQPLDFPGHIL-VPWXQRGCSA-N 324.424 3.522 0 40 DHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 12553622 VICRDGMTEABPTL-YJYMSZOUSA-N 321.376 3.956 0 40 DHAB CC(C)(C)c1ccnc(C(O)(C(F)(F)F)C(F)(F)F)c1 13213129 JQOCMXKPCSSXPW-UHFFFAOYSA-N 301.230 3.691 0 40 DHAB O=C(Nc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)s1 14165845 RTYOXCRQGAJYSS-UHFFFAOYSA-N 322.336 3.627 0 40 DHAB Cc1c2c(nc3ccccc13)-c1cc(F)ccc1S(=O)(=O)C2 15453936 POAFREMXDOHSRR-UHFFFAOYSA-N 313.353 3.637 0 40 DHAB CCCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)O 16007086 RBDLKXJIZFHGMD-IRXDYDNUSA-N 317.429 3.706 0 40 DHAB Nc1ccc(NC(=O)COc2ccc(Cl)cc2)c(Cl)c1 20343805 YESJYHIALGFOPI-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccnc1 20458251 OFRRXRCZCMPPNN-LJQANCHMSA-N 320.392 3.709 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1C 22250682 DOLFTCRAJMOOLZ-UHFFFAOYSA-N 315.369 3.663 0 40 DHAB Cc1ccc(Nc2nc(NCc3ccco3)nc3[nH]ncc23)cc1 23135918 XZILSGXGLCPBKD-UHFFFAOYSA-N 320.356 3.610 0 40 DHAB CSc1ncccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 24833583 MQARUBSEKCRRSB-NXEZZACHSA-N 318.364 3.654 0 40 DHAB CCCOc1ccc(C(=O)Nc2nnc(CCC)s2)cc1 26832699 SBLKKWKEHCANOG-UHFFFAOYSA-N 305.403 3.532 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1 27793204 FPQOMHUFMBYCHS-FQEVSTJZSA-N 322.452 3.870 0 40 DHAB Cc1ccc(Cn2nc(C)c(NC(=O)c3cccnc3)c2C)cc1 27922111 VORCDJHYHNHAHT-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB Cc1ccc(NC(=O)OCC(F)(F)F)c(Br)c1 32628792 XDBYVTLOSMTJGC-UHFFFAOYSA-N 312.085 3.868 0 40 DHAB in-vitro C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1cccs1 32699220 VSFYWRTZXSAKEU-CQSZACIVSA-N 315.438 3.674 0 40 DHAB CN(Cc1ccco1)C(=O)c1ccc(COc2ccccc2)o1 36734702 UBZVMKUHPCKJIF-UHFFFAOYSA-N 311.337 3.724 0 40 DHAB CC(C)(C)SCC(=O)NCCc1ccc(C(F)(F)F)cc1 40159474 FZMSUEDJCWQZHS-UHFFFAOYSA-N 319.392 3.896 0 40 DHAB CC(=O)c1ccc(OCc2noc(-c3cccs3)n2)cc1 40498053 WRHQYOPPPJZGGN-UHFFFAOYSA-N 300.339 3.580 0 40 DHAB O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccccn1 44442498 AHUOHWOPLLDQAB-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CC(C)c1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 48366454 AATPJBOXGJWGNK-UHFFFAOYSA-N 316.426 3.928 0 40 DHAB C[C@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccccn1 55651343 LADOEYJMCMQQSL-HNNXBMFYSA-N 319.408 3.887 0 40 DHAB Cc1ccnc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1 57625622 XKROGUIGSHUGNO-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB CCSc1nnc(N2CCCC2)n1-c1ccccc1Cl 57862483 OCPHFKUPDZVLPP-UHFFFAOYSA-N 308.838 3.633 0 40 DHAB Cc1cc(N[C@H](C)c2ccc3ccccc3c2)n2ncnc2n1 60846866 ZKXUDJCIXZNIQS-CYBMUJFWSA-N 303.369 3.759 0 40 DHAB CN(Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1ccco1 65475429 DVKJBIBGTSMRCQ-UHFFFAOYSA-N 304.296 3.845 0 40 DHAB CC(C)N(C)CCCCNC(=O)c1cc2cc(Cl)ccc2o1 69371170 BKNSTDIYYODAQY-UHFFFAOYSA-N 322.836 3.936 0 40 DHAB C[C@H](SCc1csc(-c2ccsc2)n1)C(=O)NC1CC1 69514391 FOLZGGUXPUREFN-VIFPVBQESA-N 324.496 3.772 0 40 DHAB CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(C)cn3)cc(C)nc21 69533849 MTXXCTUKMXQLKA-ZDUSSCGKSA-N 323.400 3.666 0 40 DHAB Cc1nnc([C@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)o1 69566216 YDNVWXFICIOBCL-VIFPVBQESA-N 316.792 3.632 0 40 DHAB Cc1csc(NC(=O)c2sc(-c3ccncc3)nc2C)n1 71283542 AJEQTBYAPOFJTA-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB Cc1c(C(=O)N(C)CC2CC2)oc2cc(Br)ccc12 72251230 QDIBFKPVLPWANT-UHFFFAOYSA-N 322.202 3.986 0 40 DHAB Cc1n[nH]cc1CN1CCC[C@@H](c2cc3ccccc3cn2)C1 72341802 OHFFKVJSJDUCMN-QGZVFWFLSA-N 306.413 3.646 0 40 DHAB O=C(c1ccco1)N1C(=O)c2ccccc2OC12CCCCC2 72347139 BNTWFXHLGVFJAI-UHFFFAOYSA-N 311.337 3.615 0 40 DHAB CC(C)C(=O)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 72384719 KKJWXQNJCXJRQF-CYBMUJFWSA-N 316.430 3.601 0 40 DHAB CCC1(CNC(=O)N2CCC(Nc3ccccc3F)CC2)CC1 79130258 ALLWWFSJZAHZDH-UHFFFAOYSA-N 319.424 3.602 0 40 DHAB C[C@H](SCC(=O)Nc1ccccn1)c1ncc(C(C)(C)C)o1 83125067 ZEDRCXJGNISNEG-NSHDSACASA-N 319.430 3.800 0 40 DHAB C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(F)c1 89895099 IWRPQVUZQDEKRC-GXFFZTMASA-N 308.378 3.521 0 40 DHAB CCN(CCC1CCN(C(=O)C2CC=CC2)CC1)CC(C)C 95459637 XNELUHJMHSKZOZ-UHFFFAOYSA-N 306.494 3.559 0 40 DHAB Cc1cc([C@@H](C)NCC(=O)NCC2CCCCC2)c(C)s1 95462575 VOBYNFDRATZYDZ-CYBMUJFWSA-N 308.491 3.712 0 40 DHAB CC(C)n1ccc2ccc(C(=O)NCCc3nccs3)cc21 95478504 YUPCMKDKOHAWDY-UHFFFAOYSA-N 313.426 3.651 0 40 DHAB COC(=O)C1(N(C)Cc2ccccc2C(F)(F)F)CCCC1 95971830 GSLVKPMIEASJKV-UHFFFAOYSA-N 315.335 3.623 0 40 DHAB CC(C)[C@@H]1CN(C)CCN1Cc1ncc(-c2ccccc2)s1 96003697 ZURDBRJWCYAONP-INIZCTEOSA-N 315.486 3.582 0 40 DHAB CC(C)[C@H]1CN(C)CCN1Cc1ncc(-c2ccccc2)s1 96003698 ZURDBRJWCYAONP-MRXNPFEDSA-N 315.486 3.582 0 40 DHAB CC[C@H](c1ccc(F)cc1F)N1CCC(N2CCCC2=O)CC1 96414872 CZIMJLLPOPAHIJ-QGZVFWFLSA-N 322.399 3.503 0 40 DHAB C[C@@H]1C[C@@H](C)CN(CC(=O)N[C@H](C)c2cc3ccccc3o2)C1 105765296 GOERPSNRBVKGSI-RBSFLKMASA-N 314.429 3.588 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H]1C=C[C@H]2CC1 167506434 NJBXUUQCPXNLGW-WBRVRECLSA-N 322.191 3.695 0 40 DHAB CCC(C)(C)C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192406002 RZGNHABFDJDMGV-UHFFFAOYSA-N 309.837 3.586 0 40 DHAB Cc1cccc(C)c1OCC(=O)n1cc(C=O)c2ccccc21 218737737 UTDMBURWBJPFGK-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB O=C(NC1CCCCCC1)c1cc2cccc(Cl)c2oc1=O 226038866 HBMKQHITFMINBF-UHFFFAOYSA-N 319.788 3.899 0 40 DHAB Cc1nc2cc(NC(=O)c3ccc4ncccc4c3)ccc2n1C 525725146 VFSFLKQTHCGFSA-UHFFFAOYSA-N 316.364 3.682 0 40 DHAB CCc1ccccc1Sc1nccnc1-n1nc(C)cc1C 1888967224 VCYJOSPXHGXPOP-UHFFFAOYSA-N 310.426 3.993 0 40 DHAB O=C1N=C2C=CC=CN2C1(Cc1ccccc1)Cc1ccccc1 8968 AGKKYNURMHHCFP-UHFFFAOYSA-N 314.388 3.535 0 40 DHAB O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccccc1Cl 131623 MHALOUDQCZKXIR-UHFFFAOYSA-N 321.785 3.841 0 40 DHAB COc1cc([C@H]2Nc3ccccc3S2)cc(OC)c1OC 137224 LSUGLCUGZKOMBJ-INIZCTEOSA-N 303.383 3.929 0 40 DHAB CCc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 361270 KYSISDZJVOWWRG-UHFFFAOYSA-N 302.374 3.515 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1 428039 ROSJKDRDUSKRTO-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB Cc1ccc(OCC(=O)Nc2cccc3cccnc23)cc1C 556622 RDGDMEAJPIFWAH-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB COc1ccc2cc(C(=O)c3ccccc3C(=O)O)ccc2c1 1618255 MPMPJSOCGXBPOL-UHFFFAOYSA-N 306.317 3.778 0 40 DHAB CN(C)C[C@H](OCCc1ccccc1)C(Cl)(Cl)Cl 1859260 BGKYDFHBAXOXLI-LBPRGKRZSA-N 310.652 3.546 0 40 DHAB COP(=O)(OC)O/C(C)=C/C(=O)O[C@@H](C)c1ccccc1 2036835 XXXSILNSXNPGKG-IIANPFDCSA-N 314.274 3.612 0 40 DHAB in-man COc1ccc(OC)c(NC(=O)CCc2c[nH]c3ccccc23)c1 2624476 PCGNIIBSYYTNDA-UHFFFAOYSA-N 324.380 3.756 0 40 DHAB CC(C)CNC(=O)CSc1nc(-c2ccccc2)cs1 2642461 ZUQCXSOCSMOBCP-UHFFFAOYSA-N 306.456 3.674 0 40 DHAB CCc1ccc(NC(=O)COC(=O)c2cc(C)ccc2C)cc1 3401397 YVIWSIFUQJGWGA-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1ccc(C)c(OCCC(=O)NCc2ccc(F)cc2)c1 5062619 HAUNTXJZKKWBDT-UHFFFAOYSA-N 301.361 3.528 0 40 DHAB Cc1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCC1=O 5439990 NBZNEBSPJRFXQV-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB CC(C)(C)CC(=O)Nc1ccccc1I 5632377 MAQIVRGNODNUKP-UHFFFAOYSA-N 317.170 3.666 0 40 DHAB O=C(CSC1=NCCS1)Nc1cc(Cl)cc(Cl)c1 6452858 XTTPHIFLRIMHBH-UHFFFAOYSA-N 321.254 3.768 0 40 DHAB COCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 7736597 YYSWTJYUVKJHDC-UHFFFAOYSA-N 324.424 3.994 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)c(F)c1 8049340 DCPDCDQPDHUFLN-CQSZACIVSA-N 321.323 3.770 0 40 DHAB Cc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)cc1C 8986807 JYZKJDCYXZEKKB-UHFFFAOYSA-N 314.410 3.966 0 40 DHAB COc1ccc(C)cc1NC(=O)CSCc1ccsc1 9954922 KCKAYKDHMWBWBM-UHFFFAOYSA-N 307.440 3.937 0 40 DHAB Cc1cccc(NC(=O)NCCCc2nc3ccccc3[nH]2)c1 10260981 APQIRWOEKXDILO-UHFFFAOYSA-N 308.385 3.626 0 40 DHAB N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 11754345 DUBZITIVDSZLKP-ZDUSSCGKSA-N 309.196 3.502 0 40 DHAB CCn1/c(=N\C(=O)c2cccc(F)c2)sc2cc(F)ccc21 12180885 AVJLPDKBFSLRPP-KNTRCKAVSA-N 318.348 3.742 0 40 DHAB C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F 12553167 VMZOXZLEGDCPIP-BDJLRTHQSA-N 316.351 3.569 0 40 DHAB COC(=O)c1cccc(NC(=O)Cc2ccc3ccccc3c2)c1 13012647 FMUPPSZYODBLIM-UHFFFAOYSA-N 319.360 3.808 0 40 DHAB C/C=C/c1cc(C(=O)N2CCC(C)CC2)cc(OC)c1OC 14139906 MNZZJPHYVVXWAJ-AATRIKPKSA-N 303.402 3.609 0 40 DHAB COc1ccc(Br)cc1Cn1cnc2ccccc21 14214731 FSFJSMIOXMHRNO-UHFFFAOYSA-N 317.186 3.856 0 40 DHAB O=C(N1CCCc2ccccc21)C1(c2ccccc2)CCOCC1 16985197 SDWGJFWQUCLQGP-UHFFFAOYSA-N 321.420 3.714 0 40 DHAB Cc1nc2nc(NC(=O)c3ccc(F)cc3)ccc2c(C)c1C 19581615 XGVGGFKVJWHBGY-UHFFFAOYSA-N 309.344 3.946 0 40 DHAB NC(=O)[C@@H](SC1=Nc2ccccc2CS1)c1ccccc1 21523022 KCTHQPCQWZBORB-AWEZNQCLSA-N 314.435 3.881 0 40 DHAB O=C(CSc1nc(-c2ccccc2)c[nH]1)NC1CCCCC1 27659526 CRLYLMKYSRGQFZ-UHFFFAOYSA-N 315.442 3.618 0 40 DHAB COCc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc1 27872601 YBLDFFJOBIYORD-KGLIPLIRSA-N 315.335 3.684 0 40 DHAB COc1cccc(NC(=O)Nc2ccc(-n3cccn3)cc2)c1 27917757 BMEFUEDTUGAXDS-UHFFFAOYSA-N 308.341 3.525 0 40 DHAB Cc1ccc(O)c(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 30001451 HPNZTNDROQRMMD-UHFFFAOYSA-N 321.336 3.535 0 40 DHAB O=C(O)c1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)cc1 31773436 TXIYAUUTZRSRQW-UHFFFAOYSA-N 316.696 3.517 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C 32585518 OGLSAQVZGUUDMP-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB CSc1ccc(C(=O)CCC(=O)Nc2cccc(C)n2)cc1 32843903 NQPHNLGJMQYTDY-UHFFFAOYSA-N 314.410 3.714 0 40 DHAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccccc2F)C1 40284623 PTBAGXUVEOTUDV-ZDUSSCGKSA-N 308.316 3.530 0 40 DHAB O=C(c1cccc(C2OCCO2)c1)c1ccc(F)cc1Cl 43212577 RQWXFWLALKHVIZ-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB CCN1CCC[C@@H]1CNC(=O)c1sc2ccccc2c1Cl 44670935 FQYSQDHSCOXBEG-LLVKDONJSA-N 322.861 3.769 0 40 DHAB CC[C@H](C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 50078085 OGHRQAJEHLSVOT-SOUVJXGZSA-N 319.449 3.562 0 40 DHAB CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1 55391016 VTNNMVYLMVDTCG-AQNXPRMDSA-N 323.436 3.846 0 40 DHAB CCOc1ccc([C@H]2CCCN2C(=O)c2cnc(C)s2)cc1 58007783 FIYAFMMPPNGNIX-OAHLLOKOSA-N 316.426 3.828 0 40 DHAB Cc1noc(C)c1NC(=O)COc1cc(Cl)ccc1Cl 58195462 NTXSTRIPWBFLGQ-UHFFFAOYSA-N 315.156 3.616 0 40 DHAB O=C(Nc1ccc(F)cc1F)N[C@H]1CCOc2ccccc21 58322122 VISRJEWOCOMWOF-ZDUSSCGKSA-N 304.296 3.610 0 40 DHAB COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C1CC1 58379936 CZHKFZRJMBRGQK-CYBMUJFWSA-N 324.218 3.531 0 40 DHAB O=C(Nc1ccc(NC2CCCCC2)cc1)c1cnsn1 58429324 KBMVKCKTGIVGPO-UHFFFAOYSA-N 302.403 3.535 0 40 DHAB Cc1nn(C)c(C)c1[C@H](C)C(=O)NCC1CCCCCCC1 58695170 CGFSPQDPNPNINB-ZDUSSCGKSA-N 305.466 3.617 0 40 DHAB Clc1ccc(-c2ccc(CN3CCOCC3)cn2)cc1Cl 65461208 SBCNPCKWEBIOKP-UHFFFAOYSA-N 323.223 3.888 0 40 DHAB CC[C@H](C)n1ncc2c(C(=O)Nc3cc(C)ccn3)cc(C)nc21 69381255 FDLYRUMJLZMFPS-ZDUSSCGKSA-N 323.400 3.666 0 40 DHAB Cc1ccc(-c2nc(CCNC(=O)C[C@H](C)C3CC3)co2)cc1 69452033 YROHTVBOLGOPAR-AWEZNQCLSA-N 312.413 3.745 0 40 DHAB COc1cc(C(=O)NCc2ccc(C)cc2)nc2c(F)cccc12 71768910 CQQHXHFVTHIIGV-UHFFFAOYSA-N 324.355 3.621 0 40 DHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCC1CCCCCCC1 71844143 CGFSPQDPNPNINB-CYBMUJFWSA-N 305.466 3.617 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)sc1C 72297529 YJHJQDGSTGJIEP-AWEZNQCLSA-N 318.417 3.919 0 40 DHAB CC(C)(C)OC(=O)n1cc(O)c2cccc(Br)c21 80443793 NVGOTYUVLHTFSJ-UHFFFAOYSA-N 312.163 3.893 0 40 DHAB CCc1noc(CC)c1CC(=O)Nc1ccc2ncccc2c1 87126054 PMYSQHRYVOCZED-UHFFFAOYSA-N 309.369 3.529 0 40 DHAB CC(C)CC(=O)N1CCC(Nc2ccnc3ccsc23)CC1 89802162 KRXWMFAFAVSNSI-UHFFFAOYSA-N 317.458 3.745 0 40 DHAB CCOc1c(C)cc(-c2noc([C@@H]3CCCCN3)n2)cc1C 95095397 AQNYDELVONKIJC-AWEZNQCLSA-N 301.390 3.567 0 40 DHAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H]2CCCc3sccc32)C1 95423637 BWGRJYMAQGUNDJ-IFIYUWNVSA-N 311.516 3.795 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@H]1CCCc2c1[nH]c1ccccc21 96224271 SDZMDCDLQGPTAL-KRWDZBQOSA-N 323.396 3.509 0 40 DHAB COC(=O)[C@@H]1[C@H](C[C@H](O)c2ccccc2)[C@@H]2CC[C@]1(C)C2(C)C 100363917 LLZXMKJMTYWIHO-WDHIOAMHSA-N 316.441 3.972 0 40 DHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2nccs2)C1 103949828 KINLQQNSJIOMSJ-CYBMUJFWSA-N 311.410 3.644 0 40 DHAB CO[C@@H](CNC(=O)c1ccccc1C)c1ccccc1Cl 121970345 WOJQKXDPAKNVRI-INIZCTEOSA-N 303.789 3.766 0 40 DHAB CCn1nc(C)c(N[C@@H](C)c2cccc(NC(C)=O)c2)c1C 195552518 QIDGGSSODVDNBS-NSHDSACASA-N 300.406 3.651 0 40 DHAB CCOC(=O)c1cc(N)ccc1N[C@@H](C)CCc1ccccc1 225495446 DGHXYLMWGJHWEY-AWEZNQCLSA-N 312.413 3.879 0 40 DHAB CO[C@H](CNC(=O)c1cccc(F)c1)c1ccc(Cl)s1 225700179 NNVYOKKTWYOLLP-LLVKDONJSA-N 313.781 3.658 0 40 DHAB CCC[C@@H](C)NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 225915767 CUNVRQBTNBMTQB-GFCCVEGCSA-N 312.417 3.755 0 40 DHAB CN(C)c1ccc(N)cc1NC(=O)/C=C/c1ccc(Cl)cc1 226260414 DAZXJGYZQSQGEG-BJMVGYQFSA-N 315.804 3.640 0 40 DHAB O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](OCC2CC2)C1 390832069 XALUUYCMWVTFNQ-GFCCVEGCSA-N 314.212 3.635 0 40 DHAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)CC(C)(C)C1CC1 585085779 ZVTVQFXQYNFRGP-CQSZACIVSA-N 300.446 3.680 0 40 DHAB CSc1cc(C(=O)Nc2ccc(CCN(C)C)cc2)c(C)o1 585141858 HCNFLVFWTLMEHK-UHFFFAOYSA-N 318.442 3.666 0 40 DHAB Cc1nc2c(NC(=O)c3ccc4cnccc4c3)cccc2o1 1540144865 MOCKGTFFQIMXOV-UHFFFAOYSA-N 303.321 3.937 0 40 DHAB CC[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2)c1ccccc1 1565520156 HBQHEGBGVQMQIZ-JENIJYKNSA-N 323.440 3.771 0 40 DHAB CCOc1ccc(NCn2nc(-c3ccco3)oc2=S)cc1 32123 CPKKRCPCEAMUJG-UHFFFAOYSA-N 317.370 3.934 0 40 DHAB Clc1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 142524 NUYWOTGHOXXCLV-UHFFFAOYSA-N 307.140 3.966 0 40 DHAB CCc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C 385588 GMEPZOAMZTTWBD-UHFFFAOYSA-N 305.381 3.995 0 40 DHAB O=C(C[C@H](c1ccc(F)cc1)c1ccco1)NCc1ccco1 521539 OYQOUUVTJXGNHA-MRXNPFEDSA-N 313.328 3.850 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2ccccc2OC(F)F)c1 557789 WVDNIJNOWHTJLX-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB CSc1ccccc1NC(=O)CN1c2ccccc2C[C@@H]1C 2627652 ZOLOPGNXSFDQJO-ZDUSSCGKSA-N 312.438 3.798 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCC(C)CC1 2694419 ZGDNITHMLAZCBL-IRXDYDNUSA-N 305.462 3.672 0 40 DHAB COc1ccc(/C=C/C(=O)Oc2cccc(Cl)c2)cc1OC 3279115 SMIAKYLGWYMQOF-VQHVLOKHSA-N 318.756 3.976 0 40 DHAB Cc1cc2nnc(SCC(=O)C(C)(C)C)n2c2ccccc12 3496052 ZOJLWAAUFCXXTB-UHFFFAOYSA-N 313.426 3.898 0 40 DHAB CC(C)(C)n1nc2c(c1NC(=O)C1CCCCC1)CSC2 3892414 UXROUAOHMJEOLR-UHFFFAOYSA-N 307.463 3.904 0 40 DHAB Cc1nnc(SCc2cc(Cl)cc3c2OCOC3)s1 5054203 ZTZVIYCGJMGGIB-UHFFFAOYSA-N 314.819 3.659 0 40 DHAB COc1cc2cc(C(=O)N[C@@H](C)c3ccccc3)[nH]c2cc1OC 5346352 IJUZFGXQKNKGPA-LBPRGKRZSA-N 324.380 3.676 0 40 DHAB O=S(=O)(NC1CCCCCC1)c1cccc(Cl)c1Cl 6508878 URTRVCRAAJYUSB-UHFFFAOYSA-N 322.257 3.995 0 40 DHAB O=C(NCc1ccccc1F)c1csc(-c2ccccc2)n1 8331305 LQDWBPPPWYMMDK-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB Fc1ccccc1Cc1nnc2sc(C3CCCCC3)nn12 8715029 NTULAJXOEACPHJ-UHFFFAOYSA-N 316.405 3.963 0 40 DHAB CC1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 8746292 UEKMAVPQRGZIAH-UHFFFAOYSA-N 303.793 3.602 0 40 DHAB Cc1ccc(CCCNC(=O)c2ccc(N(C)C)cc2)c(C)c1 9891666 GCFNPIARTHRRGA-UHFFFAOYSA-N 310.441 3.732 0 40 DHAB COC(=O)c1ccc(OCC(=O)c2cc(C)c(C)cc2C)cc1 10794661 KLWUUWMHPZTPSQ-UHFFFAOYSA-N 312.365 3.660 0 40 DHAB CC(C)Cn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 11667318 WYUVNCRKKPTETM-ZDUSSCGKSA-N 311.385 3.776 0 40 DHAB c1ccc(-c2nnc3ccc(SCc4ccco4)nn23)cc1 12322913 YFVCEPLHABWVCC-UHFFFAOYSA-N 308.366 3.677 0 40 DHAB O=C(NCCc1ccccn1)c1cc2c(s1)CCCCCC2 12539143 SCLWGEUIWBRSCP-UHFFFAOYSA-N 314.454 3.775 0 40 DHAB O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cccc(F)c1F 12813371 WZNDQVBLLIQLRB-INIZCTEOSA-N 316.351 3.568 0 40 DHAB O=C(Nc1nc2c(s1)CCCCC2)c1cc(F)cc(F)c1 12827744 UNKLKAFQMWERDR-UHFFFAOYSA-N 308.353 3.943 0 40 DHAB O=C(/C=C/c1nc2ccccc2o1)OC[C@H]1CC1(Cl)Cl 14897525 QNOLCEOURWTICQ-VUHVRTRXSA-N 312.152 3.578 0 40 DHAB CCOc1cc(C(=O)Nc2cc(F)ccc2C)ccc1OC 15078230 QORIIRNCGIISBV-UHFFFAOYSA-N 303.333 3.794 0 40 DHAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnn2-c1ccccc1F 17055963 BMRSJIFXWJDELA-LBPRGKRZSA-N 322.339 3.630 0 40 DHAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(C)cc1Cl 20139393 OMWUGRDDVQJLRD-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)nc1 21383048 FYXFIFRTIWPKNW-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB O=C1C[C@H](c2ccccc2)c2cc(Br)ccc2N1 22053144 NGZWCCIWYKYWDL-GFCCVEGCSA-N 302.171 3.923 0 40 DHAB in-vitro Cc1nc(N(C)c2ccccc2)sc1C(=O)NC(C)(C)C 22237615 UTPWNTKKPHSRIO-UHFFFAOYSA-N 303.431 3.748 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)Cc1ccc2c(c1)CCCC2 22378907 OZAWVSOKIAQZSY-XUTLUUPISA-N 308.425 3.559 0 40 DHAB Clc1cnc(N2CCN(c3ccccc3)CC2)c(Cl)c1 25777083 XVSIXLCVKICGHJ-UHFFFAOYSA-N 308.212 3.715 0 40 DHAB Cc1nc2ccc(C(=O)N(C)Cc3ccsc3)cc2nc1C 32741287 UNRLVBXMDOXSNC-UHFFFAOYSA-N 311.410 3.580 0 40 DHAB COc1cccc(NC(=O)CCCc2nc3ccccc3[nH]2)c1 32827523 YBMKVNBWPVUDDZ-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@H]12 33860449 SZKJPNYYJWKGMH-VWFRWXODSA-N 306.446 3.686 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)N1CCOc2ccccc21 36763956 NZAKPXYHYFVGJP-UHFFFAOYSA-N 320.392 3.916 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(Cl)ccn1 37108994 NRBDGNFEAIONQK-QGZVFWFLSA-N 323.783 3.649 0 40 DHAB Cc1ccc2c(CC(=O)N3c4ccnn4[C@H](C)C[C@@H]3C)coc2c1 40146284 ABMQPIVSRCGOIX-UONOGXRCSA-N 323.396 3.867 0 40 DHAB Cc1ccc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 40494089 MKJQRWCCVUQTIX-OAHLLOKOSA-N 317.454 3.592 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(COC(C)C)cc2)cc1F 48342647 NCKYLLNSFUCEHL-UHFFFAOYSA-N 315.388 3.989 0 40 DHAB CCc1ncc(C(=O)N2CCc3sccc3[C@H]2CC)s1 49158443 UWPSIOSGGVBOBQ-LLVKDONJSA-N 306.456 3.917 0 40 DHAB c1ccc(-c2noc(NC[C@@H]3CCN(c4ccccc4)C3)n2)cc1 65479164 CMXLHNQBNIWVNI-HNNXBMFYSA-N 320.396 3.675 0 40 DHAB CCSc1nnc2c3cc(-c4ccc(C)c(C)c4)nn3ccn12 67260604 XGMXIAMEQYTBPP-UHFFFAOYSA-N 323.425 3.773 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(O)c1 71185351 HDDVKNDAEZKVIJ-ZDUSSCGKSA-N 309.365 3.901 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2O)n[nH]1 72238561 DDUVDIADCXDGJM-UHFFFAOYSA-N 313.744 3.688 0 40 DHAB Fc1cc2ncc(Oc3ccc(-n4cccn4)cc3)nc2cc1F 77985277 GHQNTSNFODRNJT-UHFFFAOYSA-N 324.290 3.886 0 40 DHAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 84714640 XDUMUDSOHQQVSQ-GDZNZVCISA-N 320.864 3.638 0 40 DHAB c1ccc(CCOCc2cccc(NCc3cc[nH]n3)c2)cc1 89832430 RWFUJZAUFAJXJR-UHFFFAOYSA-N 307.397 3.781 0 40 DHAB CCN(C)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 89960837 WAEYGHIAANSRHR-KRWDZBQOSA-N 316.832 3.649 0 40 DHAB COc1ccc(C)cc1[C@H](C)N[C@@H]1CCO[C@]2(CCSC2)C1 90542631 RIOQBTIZPOKOCI-HDMKZQKVSA-N 321.486 3.709 0 40 DHAB COc1ccc(Oc2ncccc2NC(=O)Cc2ccco2)cc1 95427899 FIGVIVMLMDHRLI-UHFFFAOYSA-N 324.336 3.657 0 40 DHAB CCCOc1ccccc1NC(=O)c1ccc2cncn2c1C 95465129 OSASMJMRZXFJSM-UHFFFAOYSA-N 309.369 3.684 0 40 DHAB Clc1ncc(Br)c2nc(-c3ccccc3)cn12 95803808 HDQCNMSMEPLRHM-UHFFFAOYSA-N 308.566 3.812 0 40 DHAB in-vitro Oc1c(Br)cc(Br)cc1-c1ccno1 96330831 XUMHJJXHJNIEFC-UHFFFAOYSA-N 318.952 3.572 0 40 DHAB Cc1nc(CC(=O)N2C[C@@H](C)Sc3ccccc32)cs1 96461670 LUTFDWMEOPOAOH-SNVBAGLBSA-N 304.440 3.521 0 40 DHAB O=C(O)[C@H]1CCC(=O)N(CC2CCCCC2)[C@@H]1c1ccccc1 96515691 UDKZQAXBWITURQ-FUHWJXTLSA-N 315.413 3.631 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)cc1C 96659188 MAWHJZCZWHOKQF-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB COc1c(CNc2cccc(Oc3ccccn3)c2)c(C)nn1C 97050998 LKVYJCJJAJAGOI-UHFFFAOYSA-N 324.384 3.537 0 40 DHAB COc1ccc2oc([C@H](C)NCc3nnc(C)s3)c(C)c2c1 97057279 OKFCAIMMXXUBRW-JTQLQIEISA-N 317.414 3.761 0 40 DHAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CC[C@@H]2C[C@@H]1CCCC[C@]13O4 100741971 NYWUQKFITQFOEY-RACUFNBBSA-N 304.430 3.741 0 40 DHAB CC(C)N(C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(C)C 101244119 MPYNMCRQCDYTCP-FAJBIJEISA-N 311.510 3.698 0 40 DHAB Cc1cccc([C@@H]2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)c1 102702480 HZGYCHCOODOBOG-SFHVURJKSA-N 317.396 3.654 0 40 DHAB O=C(NC[C@H]1CCCN1c1ccccc1)c1ccc(Cl)s1 211116145 CXIOCGXGOZPQNJ-CYBMUJFWSA-N 320.845 3.800 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225022984 HAVJPEITAAQXEL-JXMROGBWSA-N 324.405 3.560 0 40 DHAB CCC(CC)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225801717 MDEHINGMBOMZSD-UHFFFAOYSA-N 319.474 3.597 0 40 DHAB CCCO[C@]1(C(=O)Nc2ccc(OCC)nc2)CCC[C@H](C)C1 225910583 AWNQYZPLPCTWMU-KBXCAEBGSA-N 320.433 3.794 0 40 DHAB CCC(CC)C(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 227164753 VSWQGNNYQUJBCC-UHFFFAOYSA-N 303.406 3.735 0 40 DHAB CCN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 409090374 PFMUGIXLOIHVKE-RUDMXATFSA-N 318.181 3.755 0 40 DHAB c1cnc2cc(-c3noc([C@@H]4CC5CCC4CC5)n3)ccc2n1 571543678 TWSDUBAEXCIVQM-ORHYLEIMSA-N 306.369 3.974 0 40 DHAB O=C(O)C[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC1CC1 576830053 NPPRJQXVGFPJCA-HNNXBMFYSA-N 323.820 3.568 0 40 DHAB CC[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-n3nccc3C)cc2)C1 585082406 PAHWWKFENXLSJC-ZBFHGGJFSA-N 311.429 3.831 0 40 DHAB CO[C@H](C)CNc1ccc(NC(=O)N2CCCCCC2)cc1 585117409 BKIHDHXCVVFJDY-CQSZACIVSA-N 305.422 3.541 0 40 DHAB COc1ccc(N(CC2CC2)C(=O)C[C@@H]2CC(C)(C)CO2)cc1 1526155055 WMVKZLQOTSMJGX-QGZVFWFLSA-N 317.429 3.643 0 40 DHAB COc1ccc(NC(=O)/C=C/c2ccco2)cc1Br 570569 CATHNVXTNLUBLV-FNORWQNLSA-N 322.158 3.703 0 40 DHAB O[C@H](COc1ccc(C2CCCCC2)cc1)CN1CCCCC1 1470098 OLCNTOSCOMSZAV-IBGZPJMESA-N 317.473 3.960 0 40 DHAB CCc1cccc2c(C(=O)COC(=O)c3cccs3)c[nH]c12 2664844 YVGFSGKNALOBHL-UHFFFAOYSA-N 313.378 3.832 0 40 DHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(Cl)c2)c1 3385860 BBJFCCOLOWHKTR-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB COCc1c(C(=O)Nc2nc(C)cs2)oc2ccccc12 5678421 DKCCMJKJLWZMLO-UHFFFAOYSA-N 302.355 3.596 0 40 DHAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCCCCC1 6057589 RTHOQIWWCLPWCS-CYBMUJFWSA-N 318.244 3.609 0 40 DHAB O=C(NCC(F)(F)F)c1cc2c(s1)-c1ccccc1CC2 6969069 FNWUNOBSJZBLKG-UHFFFAOYSA-N 311.328 3.806 0 40 DHAB CC1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 7389329 CURFKFXQVWNFHH-GFCCVEGCSA-N 314.351 3.764 0 40 DHAB CC(=O)Nc1ccccc1OCc1ncc(-c2ccccc2)o1 7895518 TWMDAAIFWQVIMO-UHFFFAOYSA-N 308.337 3.879 0 40 DHAB Cc1ccsc1C(=O)N1CCN(c2ccccc2Cl)CC1 7955547 MEHRCGYMVATXSV-UHFFFAOYSA-N 320.845 3.672 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1 8041792 MDAQWBGYNUTDDQ-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1Cl 8708744 XXKDGMXXIUQDQH-JTQLQIEISA-N 320.742 3.553 0 40 DHAB CCOc1nn(CC)cc1C(=O)Nc1cccc(Cl)c1C 9070496 SPBBEZQVLKRUDJ-UHFFFAOYSA-N 307.781 3.516 0 40 DHAB Cc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](N1CCCCC1)C(=O)N2 9186564 QEGHIXFHUNLHMD-UXHICEINSA-N 320.436 3.934 0 40 DHAB O=C(NCCCN1CCc2ccccc21)c1cccc(Cl)c1 10113723 SAIKPTBVYQGWIP-UHFFFAOYSA-N 314.816 3.523 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c2cnn(C(C)C)c2n1 10808740 MVFSSTHIRAHXAX-AWEZNQCLSA-N 322.412 3.812 0 40 DHAB COc1ccccc1CNC(=O)c1cccc2c1O[C@@H](C)[C@H]2C 12925623 NBAAOINLIHZLLM-OLZOCXBDSA-N 311.381 3.510 0 40 DHAB COc1ccccc1/C=C/C(=O)Nc1cccc2ncccc12 14791897 DVJPJUKDRYHXHS-VAWYXSNFSA-N 304.349 3.895 0 40 DHAB biogenic C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)s1 15797244 YXVOQZQAVWDTEK-RKDXNWHRSA-N 302.237 3.819 0 40 DHAB CCCC[C@H](CC)CNC(=O)c1cc(OC)c(OC)cc1OC 16023784 AJXLUNIDHVSZEI-ZDUSSCGKSA-N 323.433 3.659 0 40 DHAB COc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1OC 20538186 YOBJJSBLECSIGD-LLVKDONJSA-N 318.348 3.726 0 40 DHAB COc1ccc(Cl)cc1CN[C@@H](C)[C@@H](O)c1ccccc1 22076434 RVTKBHTVBGBRTR-YVEFUNNKSA-N 305.805 3.560 0 40 DHAB COc1cc(C)c(NC(=O)c2cc(C)c(C)s2)cc1OC 24004866 KJNKPJILQMPAPV-UHFFFAOYSA-N 305.399 3.943 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccco2)on1 25523949 ZHCPBSJBKSVUED-UHFFFAOYSA-N 312.369 3.633 0 40 DHAB CC1CCN([C@@H](CNC(=O)c2ccco2)c2cccs2)CC1 27573567 JEUYGMIBMGIKLV-AWEZNQCLSA-N 318.442 3.544 0 40 DHAB Fc1ccc(-c2csc3ncnc(Nc4cn[nH]c4)c23)cc1 30587613 ROUAFQVRQVIMEP-UHFFFAOYSA-N 311.345 3.964 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)NCC(F)(F)F)ccc2c1 32716617 DWBDGSVRWZQEPV-JTQLQIEISA-N 311.303 3.630 0 40 DHAB CC(=O)Nc1cccc(Nc2nnc(SC(C)C)s2)c1 32778986 KGIUMGUPVOVSGW-UHFFFAOYSA-N 308.432 3.741 0 40 DHAB Cc1cc(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)no1 32841297 MLDFJANQBMKVBH-SFCYXTAJSA-N 303.406 3.709 0 40 DHAB C[C@H](NC(=O)CN1CCC[C@H]1c1ccccc1)c1ccccc1 36477461 CPFFPUOUXLYVBL-LPHOPBHVSA-N 308.425 3.701 0 40 DHAB Cc1nc([C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1 36915317 QBWMBZCMEXXOIL-SNVBAGLBSA-N 301.415 3.973 0 40 DHAB in-vitro COC(=O)[C@H](N)Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 38518555 DKOYSZDYGRBYFX-OAHLLOKOSA-N 324.207 3.703 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(C)cc2C)c1 38772668 NFJGYOXEMHLYQU-CQSZACIVSA-N 313.397 3.812 0 40 DHAB Cc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@H]3C)n[nH]2)cc1 44837872 SPYGAHBEJMBLAU-CQSZACIVSA-N 317.392 3.977 0 40 DHAB c1ccc(OCCOCCN2CCC[C@@H]2c2ccsc2)cc1 48249152 ZYUAEPUCSBZUAR-GOSISDBHSA-N 317.454 3.981 0 40 DHAB CC(C)OCc1ccc(CNC(=O)Cc2cccs2)cc1 49134359 LZFGBACWWCIIJB-UHFFFAOYSA-N 303.427 3.532 0 40 DHAB C[C@H](NC(=O)C1(C)CCCC1)c1nc(-c2ccc(F)cc2)no1 65552691 WSYKNBGUXPVXCF-NSHDSACASA-N 317.364 3.633 0 40 DHAB Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccccc1F)C1CC1 65576105 GMRISCQIVDLKJJ-NSHDSACASA-N 316.376 3.725 0 40 DHAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@H](C(F)(F)F)C1 71795942 DUMBCZUYOAITMF-VIFPVBQESA-N 314.282 3.722 0 40 DHAB Cc1cccc(Nc2ccc([C@H]3CCCN3C(=O)C(C)C)nc2)n1 72353027 YAVPJPWCYNMTLD-QGZVFWFLSA-N 324.428 3.848 0 40 DHAB CCC(=O)N1CC[C@@H](NCc2csc3ccccc23)[C@@H](C)C1 78897274 HAHCEVPNUPPUID-XJKSGUPXSA-N 316.470 3.638 0 40 DHAB Cc1nc2ccc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F 79069550 GIMRDGMAHSBGHG-UHFFFAOYSA-N 324.142 3.715 0 40 DHAB COCc1ccccc1NC(=O)Nc1cc(F)cc(OC)c1 89420389 YHIXZUAEDIAZKR-UHFFFAOYSA-N 304.321 3.625 0 40 DHAB C[C@H](NCc1ccncc1)c1ccc(OCC2CC2)c(F)c1 89904722 BVQNEPSORXVCSO-ZDUSSCGKSA-N 300.377 3.860 0 40 DHAB C[C@H](CC(=O)NCCc1ccc(C(=O)O)cc1)C1CCCCC1 95424112 LVICNXSMBMXUJQ-CQSZACIVSA-N 317.429 3.650 0 40 DHAB C[C@@H]1CSc2ccccc2[C@H]1NC1CCN(C2CC2)CC1 95427076 ZHTRDQRXRWNSCC-ACJLOTCBSA-N 302.487 3.686 0 40 DHAB C[C@H](CSc1ccc(F)cc1)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 95964769 PYVQELVYBABQAQ-RBSFLKMASA-N 319.445 3.979 0 40 DHAB Fc1ccc(Cc2nc3nccc(-c4ccsc4)n3n2)cc1 96344986 ITLPOGBTGBVYLC-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB O=c1c2oc3ccccc3c2[nH]c(=S)n1-c1ccc(F)cc1 100530385 KHMXQPNKPSJRRL-UHFFFAOYSA-N 312.325 3.934 0 40 DHAB C[C@@]12C[C@H](NC(=S)N1c1ccccc1F)c1ccccc1O2 101183275 OOXGMAHIANFIIA-SUMWQHHRSA-N 314.385 3.760 0 40 DHAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1 101275271 IJKYCFNCNNVVQX-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21 101366496 ZXDQTOXNJLYQAL-OJXGSEEGSA-N 313.784 3.598 0 40 DHAB O=c1c(Cl)c(Cl)c(Cl)nn1-c1ccccc1Cl 222253446 LEINEZLNVYQOEY-UHFFFAOYSA-N 309.967 3.846 0 40 DHAB CCOc1ccc(CNC(=S)Nc2ccc(C)cc2)cc1 225428944 MGNHURUMWYMZEK-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB O=C(/C=C/c1ccccc1)NCC[C@H](O)c1cccc(Cl)c1 225607780 CYRROHMHYSQCCI-FVNWOWOISA-N 315.800 3.593 0 40 DHAB C[C@H](O)c1ccc(C2(CNC(=O)c3ccoc3)CCCC2)s1 225682506 MPJSXKULOZOTSP-LBPRGKRZSA-N 319.426 3.636 0 40 DHAB CO[C@H](CNC(=O)c1ccccc1C)c1ccc(Cl)s1 225700051 AHQNSNSLSQVGHQ-GFCCVEGCSA-N 309.818 3.827 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@@H](O)CN1CCCCCC1)C2 230111509 XSERORFSPSIMSS-XFKSJGNHSA-N 323.521 3.845 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3Cl)O[C@H]2C1 242463877 DPFJHPUYYLYPEL-BBRMVZONSA-N 309.793 3.575 0 40 DHAB C[C@@]1(C(=O)Nc2nnc(-c3ccccc3)s2)C[C@H]2C=C[C@H]1C2 408710501 WYAYOZZLUWTYPN-PLQHRBFRSA-N 311.410 3.746 0 40 DHAB CCN(C(=O)Nc1ccccc1F)[C@H](C)[C@H](O)c1ccccc1 585086369 LQZKLYOIPWMQHK-DYVFJYSZSA-N 316.376 3.802 0 40 DHAB CCOP(=O)(OCC)OCCSc1cccc(O)c1 585119269 ZSSGCLYWXZCINS-UHFFFAOYSA-N 306.320 3.682 0 40 DHAB C[C@H]1C[C@@H](C(=O)N2CCC(c3ncco3)CC2)CC(C)(C)C1 585123794 RDPZLBBIIFNWBE-DZGCQCFKSA-N 304.434 3.843 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)N1CC2(CC(c3ccccc3)C2)C1 1775970236 ISKBSFDUBZEFOZ-INIZCTEOSA-N 321.420 3.860 0 40 DHAB CC(C)c1nccn1CC1CN(c2nc3ccccc3s2)C1 2087146130 XDGBILJUQCRERC-UHFFFAOYSA-N 312.442 3.753 0 40 DHAB COc1ccccc1OC(=O)COc1ccc(Cl)cc1C 142336 YORPFHGIAZMAHQ-UHFFFAOYSA-N 306.745 3.641 0 40 DHAB Cc1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C 143016 AFGMKVWFQDNIAA-UHFFFAOYSA-N 313.382 3.649 0 40 DHAB Clc1ccc(-c2oncc2-c2nnnn2-c2ccccc2)cc1 152012 CLWQIUYJSJCUHH-UHFFFAOYSA-N 323.743 3.638 0 40 DHAB CN(C)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 175196 IRRNSFOMYHRAEV-UHFFFAOYSA-N 316.360 3.706 0 40 DHAB Cc1c(C(=O)Nc2nnc(C(C)C)s2)oc2ccccc12 414664 QMBZXCGNQJKRAH-UHFFFAOYSA-N 301.371 3.968 0 40 DHAB CCOC(=O)c1cc(C)sc1NC(=O)c1cccc(C)c1 546322 GCTWNKHTBRINNL-UHFFFAOYSA-N 303.383 3.794 0 40 DHAB CC(=O)O[C@@]12c3ccccc3[C@H]1CCCCCC21OCCCO1 1634652 MLMNSGWQZQFPCN-VQIMIIECSA-N 316.397 3.640 0 40 DHAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 2658446 MBEPHTLBDDJYPE-UHFFFAOYSA-N 324.163 3.903 0 40 DHAB Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 3145320 OVVPAAAWRPWALX-OAHLLOKOSA-N 312.394 3.941 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2ccccc2o1 3486532 KXVSXXFZDMBQAO-UHFFFAOYSA-N 324.336 3.652 0 40 DHAB O=C(COc1ccc2ccc(=O)oc2c1)c1ccccc1Cl 3515335 QAIQTSNCLJRIOO-UHFFFAOYSA-N 314.724 3.708 0 40 DHAB COc1cc(NCCCC[C@@H]2CCCCN2)c2ncccc2c1 4365389 LIYDEHVSOATNNT-INIZCTEOSA-N 313.445 3.968 0 40 DHAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]21 4614668 XVMUWRSZIXHJSM-YJEJQGFLSA-N 309.409 3.785 0 40 DHAB CCc1nc2sc3c(c2c2nnc(SC)n12)CCCC3 4936617 XKMIAULRPGOGHA-UHFFFAOYSA-N 304.444 3.502 0 40 DHAB CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1cccc(F)c1 5001251 BKPPWHSZMNCNLC-UHFFFAOYSA-N 314.360 3.732 0 40 DHAB Cc1ccccc1-c1nc(-c2cc3cccc(C)c3[nH]c2=O)no1 5156333 XOFDDDVCWPZULF-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB CCc1nn2cc(-c3cccc(Br)c3)nc2s1 6748220 ZETWTALPXXOLMB-UHFFFAOYSA-N 308.204 3.783 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1nc(-c2ccncc2)cs1 6969637 RYIKPYSTRRTFAE-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB CC(C)c1ccc(NC(=S)NCC(C)(C)CN(C)C)cc1 7518783 SOONKJFHEHGFRN-UHFFFAOYSA-N 307.507 3.684 0 40 DHAB CCc1cccc(C)c1NC(=O)c1nn(-c2ccccc2)nc1C 7653401 QKSSLWNLTGZIEE-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB O=C(/C=C/c1cccs1)Nc1nnc(-c2ccccc2)s1 9062213 PRWGSIJCZBVILL-CMDGGOBGSA-N 313.407 3.919 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1O 9064120 UIXRJNBZNMQOAC-UHFFFAOYSA-N 308.447 3.549 0 40 DHAB C[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(F)cc1 11710298 HMEFLRCMCUNUSM-NWDGAFQWSA-N 304.390 3.579 0 40 DHAB O=C(O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 12505848 JBUKVAKIRSAPNC-UHFFFAOYSA-N 306.293 3.577 0 40 DHAB in-vitro CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 14219028 UGBJUIYRBNPDQT-LBPRGKRZSA-N 323.845 3.942 0 40 DHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1 14256946 ABIFUQKADRATKG-UHFFFAOYSA-N 318.442 3.677 0 40 DHAB Cc1ccc2nc(CNc3cccc4ccccc34)cc(=O)n2c1 15289291 TUHHFEFAZQTXLP-UHFFFAOYSA-N 315.376 3.768 0 40 DHAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccccc2F)c1 15693118 OGMZTRFSSINLNR-CQSZACIVSA-N 301.361 3.699 0 40 DHAB Cc1cccc(OCCCNC(=O)c2ccc(F)cc2Cl)c1 16277567 QWQXHNQKIKSTKD-UHFFFAOYSA-N 321.779 3.986 0 40 DHAB Cc1cc(C(F)(F)F)nc2nc(NC(=O)C(C)(C)C)ccc12 19118918 VKEWCHCPRNEDTR-UHFFFAOYSA-N 311.307 3.942 0 40 DHAB Cc1cc2ccccc2n1CC(=O)Nc1nc(C2CC2)cs1 23135114 JPLDRYIHQKLGSO-UHFFFAOYSA-N 311.410 3.922 0 40 DHAB C[C@H](N[C@H](C)C(=O)NCc1cccs1)c1cccc(Cl)c1 24985705 OYZDIASZDFTYCR-NWDGAFQWSA-N 322.861 3.757 0 40 DHAB COc1ccc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 25356086 YJYNCVFVEHLGNN-OAHLLOKOSA-N 307.397 3.732 0 40 DHAB CC[C@H](C)NC(=O)c1sc(COc2ccc(C)cc2)nc1C 27338669 YATNSOVOYGDUOF-LBPRGKRZSA-N 318.442 3.867 0 40 DHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1Cl 31927931 XHPFRIOTIMRROD-UHFFFAOYSA-N 316.744 3.549 0 40 DHAB CCCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 32678865 GJCPKXUGFNGCCA-UHFFFAOYSA-N 314.414 3.841 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)c(F)c1 32914104 FWZZETIESZJEOG-OLZOCXBDSA-N 319.351 3.747 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cc(Cl)ccc1F 32931290 QRXBNTPMUXXPPV-ABAIWWIYSA-N 313.800 3.804 0 40 DHAB Cc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)n1 40051474 SVHQRKUXJFWWQP-UHFFFAOYSA-N 318.779 3.987 0 40 DHAB Cc1cnc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)s1 40086602 XADAXJLANXWLMY-UHFFFAOYSA-N 318.789 3.747 0 40 DHAB CCc1nc(NC(=O)Cc2c(F)cccc2Cl)sc1C 40118969 MYNLUCRMCQBAMN-UHFFFAOYSA-N 312.797 3.988 0 40 DHAB Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)o1 41076804 RFJXSTUBFHFVGG-MRVPVSSYSA-N 300.383 3.678 0 40 DHAB CCN(CC)C(=O)Cc1ccc(-c2nc3ccccc3o2)cc1 41127124 MBRLGNSZMBXSFE-UHFFFAOYSA-N 308.381 3.906 0 40 DHAB O=C(O)c1cc(C2CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 41566707 HLEXFVYUERNTND-UHFFFAOYSA-N 313.744 3.625 0 40 DHAB O=C(c1ccc(C2OCCO2)cc1)c1cc(F)cc(Cl)c1 43212677 NNYWADDUSFATPQ-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCc2ccccc21 45311045 ZOAONNHBLFKMAG-LJQANCHMSA-N 304.393 3.823 0 40 DHAB Nc1nnc(SCc2ccccc2Oc2cccnc2)s1 58282011 YTAKSUYXJDKAMR-UHFFFAOYSA-N 316.411 3.600 0 40 DHAB C[C@@H](OC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(F)c(F)c1 61142313 YKZPSMLNYWTDDF-SECBINFHSA-N 318.279 3.866 0 40 DHAB Cc1nc(NC(=O)CN(C)CC(C)C)sc1-c1ccccc1 65961225 NUFZTXCTBJFHMD-UHFFFAOYSA-N 317.458 3.645 0 40 DHAB C[C@H](c1cc(F)ccc1F)N1CCc2c(ncn2C2CC2)C1 69486176 CDMFKHJXVFXODL-LLVKDONJSA-N 303.356 3.616 0 40 DHAB CCOC1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 71820796 FGLWFMMOENNTSV-UHFFFAOYSA-N 316.323 3.738 0 40 DHAB Cc1cc(N(C)C)ncc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72218709 RAGIZQPKTTXRSL-OAHLLOKOSA-N 319.449 3.918 0 40 DHAB C[C@H]1CCCCCN1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 72285051 WJWHMDUWSYZMEG-ZDUSSCGKSA-N 315.417 3.832 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 78883129 MBQUHLSRVOYWDI-CHWSQXEVSA-N 323.318 3.788 0 40 DHAB COC(=O)c1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)o1 81604369 BNUVLQHYESOOCS-CQSZACIVSA-N 305.761 3.667 0 40 DHAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)C1CC1 85471019 UQEKTTOIAZMIHU-UHFFFAOYSA-N 306.818 3.798 0 40 DHAB Cc1csc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n1 89705531 XPWNYVXSFBCTRT-UONOGXRCSA-N 320.845 3.567 0 40 DHAB COC(=O)c1ccc(CSc2nncc3ccccc23)s1 95411455 ZKEFMCGTNUZHIN-UHFFFAOYSA-N 316.407 3.770 0 40 DHAB c1ccc([C@H]2CO[C@]3(CCCN(Cc4ccncc4)C3)C2)cc1 96073458 QJMNXUCVMXNXRP-WOJBJXKFSA-N 308.425 3.620 0 40 DHAB O=C(NCc1cccc(Oc2ccccn2)c1)c1cccs1 96382387 STDVREZQNQNLHI-UHFFFAOYSA-N 310.378 3.865 0 40 DHAB CC(C)n1cc([C@H](C)NCCc2cccc3cccnc23)cn1 96476560 KUVZDDSMBYYDRT-HNNXBMFYSA-N 308.429 3.906 0 40 DHAB C[C@H](c1ccccn1)N(C(=O)c1ccnn1C1CCCC1)C1CC1 96476631 BNLKFNRAYDKSRS-CQSZACIVSA-N 324.428 3.759 0 40 DHAB C[C@@H]1CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C2=C(O)C1 102602587 WIVMVBJXLBSOKH-PSLIRLAXSA-N 314.776 3.849 0 40 DHAB Cc1ccc(C)c(C(=O)NCCCN2CCCc3ccccc32)c1 225053637 OHFQBWZGJUSDAE-UHFFFAOYSA-N 322.452 3.876 0 40 DHAB CSc1ncc(C(=O)O)c(Sc2ccc(Cl)cc2)n1 225325330 QDZLXMJXOKCZBP-UHFFFAOYSA-N 312.803 3.701 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1ccc(F)c(F)c1 225442603 FBVUEIPEYNJBBX-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cn1 225899967 CFXVBFSXKUWWLO-KSSFIOAISA-N 320.433 3.794 0 40 DHAB COc1cc(Cl)c2sc(C(=O)O)c(Cl)c2c1OC 228947609 MVZZKVOHYPAIAM-UHFFFAOYSA-N 307.154 3.924 0 40 DHAB CC[C@H](OC[C@@H](O)CN[C@H](C)c1ccccc1)c1ccccc1 248261142 QPXDBTYBCYZQBM-UXPWSPDFSA-N 313.441 3.866 0 40 DHAB Cc1c(Cl)cccc1C(=O)Nc1cc(C2CCOCC2)[nH]n1 252490894 LEIDNVYSZIAHCW-UHFFFAOYSA-N 319.792 3.518 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 257201854 AJHVJPPFSNFVRT-MRXNPFEDSA-N 306.413 3.646 0 40 DHAB Cc1ccccc1O[C@@H]1CCC[C@H](NC2CCCCC2)[C@H]1O 585289262 OXOCZHPYLGUYMP-QXAKKESOSA-N 303.446 3.578 0 40 DHAB O=C(c1ccc(Br)o1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008691 MLFMHLOWEMRIOH-RYUDHWBXSA-N 322.202 3.900 0 40 DHAB O=C(CSc1ccc(F)cc1)NCC1(c2ccsc2)CC1 1888922208 PQFTUEZBJVEXKQ-UHFFFAOYSA-N 321.442 3.827 0 40 DHAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1 29408 IPKYAISLSVOYDX-UHFFFAOYSA-N 303.427 3.594 0 40 DHAB Fc1ccc(N2COc3ccc(Br)cc3C2)cc1 536163 HKKUWRHLZCSGMO-UHFFFAOYSA-N 308.150 3.945 0 40 DHAB O[C@]1(Cc2ccccn2)c2ccccc2C[C@H]1c1ccccc1 1730371 VIQVBGUQONMGJF-LEWJYISDSA-N 301.389 3.852 0 40 DHAB CCOC(=O)c1cccc(C(=O)CCc2ccc(F)cc2)c1 2517378 PFBKANGVSMQRBD-UHFFFAOYSA-N 300.329 3.818 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 3219593 AICZCYPCERPLBB-UHFFFAOYSA-N 303.402 3.872 0 40 DHAB CCc1ccc(C(=O)COC(=O)/C=C/c2cccc(F)c2)cc1 3274715 LJZDMQCLNZHHNI-DHZHZOJOSA-N 312.340 3.827 0 40 DHAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccn1 3309744 UAMMGCKOJJDHHI-UHFFFAOYSA-N 304.349 3.913 0 40 DHAB Cc1ccc(SCc2cc(=O)n3ccsc3n2)c(C)c1 3499367 VFKHOOWBKZOPHS-UHFFFAOYSA-N 302.424 3.665 0 40 DHAB CCOC(=O)c1[nH]c(C)c(C(=O)c2ccc(Cl)cc2)c1C 4535931 FNEIIUNDJCBYAH-UHFFFAOYSA-N 305.761 3.693 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 4681707 NLTVULAPCSBWOR-UHFFFAOYSA-N 302.418 3.878 0 40 DHAB Cc1ccccc1-c1nnc(N(C)C(=O)Cc2ccccc2)s1 5008065 MYZULKSDTGGOEY-UHFFFAOYSA-N 323.421 3.719 0 40 DHAB Cc1ccccc1C(=O)Nc1cccc(N2CCCCC2=O)c1 5441598 NEDYDWLMTXCFMX-UHFFFAOYSA-N 308.381 3.764 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 5549534 DUTLRISXZBHZST-UHFFFAOYSA-N 323.421 3.998 0 40 DHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3F)c2O1 6215770 XDNDULIMYFWREQ-UHFFFAOYSA-N 315.344 3.557 0 40 DHAB Cc1cnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 6868713 KKEADPQRPPFFLA-UHFFFAOYSA-N 317.197 3.776 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2Cl)cc1C 7305119 RGRLUOXCFRADPZ-CYBMUJFWSA-N 323.845 3.996 0 40 DHAB C[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2 7689067 JEAYPTKBIMIRFD-GFCCVEGCSA-N 321.467 3.666 0 40 DHAB COC(=O)CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 7871161 RKMYDRGXGHALPV-UHFFFAOYSA-N 323.348 3.992 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C 8049772 FURLHQOJIOZSCK-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(Cl)c1 8105300 ITCXSKBLFSMQRO-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Sc1nc2ccccc2c2nc(-c3cccc(Cl)c3)nn12 8559865 DVKMCZJIOOKRNO-UHFFFAOYSA-N 312.785 3.887 0 40 DHAB CCc1c(C(=O)Nc2ccc(C)cc2C)cnn1-c1ccccn1 8715219 NEWUHAWMDMUFKR-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2ccccc2s1 9313667 DSZNNXPJQRUMBY-KBPBESRZSA-N 316.426 3.529 0 40 DHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cccs1 9366771 YUYWZZAASXCFJY-UHFFFAOYSA-N 309.774 3.815 0 40 DHAB O=C(Nc1cccnc1)c1ccc2nc(-n3cccc3)sc2c1 9423888 RHGNXMCPSJLQSA-UHFFFAOYSA-N 320.377 3.734 0 40 DHAB Cc1nc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cs1 9956370 OUTZELOMAGMIQX-VOTSOKGWSA-N 323.421 3.531 0 40 DHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccnc1 10577747 MYQOXVDROSZNOK-UHFFFAOYSA-N 324.409 3.544 0 40 DHAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)cc1 12976992 LHNBALXKWUIZKD-UHFFFAOYSA-N 316.351 3.568 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1F 13012415 WUBVSWBABMXKLA-JTQLQIEISA-N 309.287 3.818 0 40 DHAB CC[C@H](CNC(=O)c1cccnc1SC)c1ccccc1 14165800 BTXZYHUSVYYNEZ-CYBMUJFWSA-N 300.427 3.727 0 40 DHAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3cccs3)cnc21 14184196 VRXJQGLTSJNFIQ-LLVKDONJSA-N 314.414 3.565 0 40 DHAB Cc1ccc(OCCCC(=O)NCCSC(C)(C)C)cc1 14400630 YBGQKVXFVRYKRE-UHFFFAOYSA-N 309.475 3.802 0 40 DHAB O=C(C1CCCCC1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19014668 MPRALBKSKFUGEC-OAHLLOKOSA-N 317.433 3.623 0 40 DHAB Fc1nc(N2CCOCC2)c2c(c1Cl)Oc1ccccc1O2 20170475 ZTKBBGPAQUMCGS-UHFFFAOYSA-N 322.723 3.609 0 40 DHAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccco1 22370640 SINQMNSPAKPNHI-UHFFFAOYSA-N 313.334 3.813 0 40 DHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccco1 22512328 XQIAERZHOIFSNV-KRWDZBQOSA-N 309.365 3.907 0 40 DHAB COCCN1C(=O)c2ccccc2N[C@@H]1/C(C)=C/c1ccccc1 25309980 BEJDFFRIDINBBR-IQGVVSCOSA-N 322.408 3.630 0 40 DHAB O=C(c1ccco1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 28231982 GDOZDDAXTKXWKG-OAHLLOKOSA-N 319.788 3.754 0 40 DHAB O=C(NOCc1ccccc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 29728586 GTMUFYKRDDDVAY-QWHCGFSZSA-N 316.323 3.539 0 40 DHAB Cc1ccccc1OCC(=O)N1CCCSc2ccccc21 32676010 FINRVPOQQIYAFU-UHFFFAOYSA-N 313.422 3.903 0 40 DHAB O=C(CCc1cccnc1)Nc1ccc(N2CCCCC2)cc1 32747777 XUHSDXVRCYBZNG-UHFFFAOYSA-N 309.413 3.643 0 40 DHAB Cc1cc(Nc2ccccc2-c2ccccc2)n2ncnc2n1 35311694 POTZEJFABHFCHX-UHFFFAOYSA-N 301.353 3.843 0 40 DHAB Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccccc3C)C2=O)c(C)c1 36635380 GSTDJNICKGNTRY-INIZCTEOSA-N 322.408 3.664 0 40 DHAB O=C(C[C@H]1CCCO1)N[C@@H](c1ccccc1)C1CCCCC1 40108829 ZUNVXFBTAWXAJD-MJGOQNOKSA-N 301.430 3.993 0 40 DHAB CCc1nc(NC(=O)[C@H](C)Oc2ccc(C)cc2)sc1C 40118947 LEJZXNZZVKQCRL-NSHDSACASA-N 304.415 3.728 0 40 DHAB CC[C@@H](C)C(=O)NCCc1ccc(OCc2ccccc2)cc1 40122128 YGBFOWIIFCRTKU-MRXNPFEDSA-N 311.425 3.970 0 40 DHAB CCCc1noc([C@@H]2CCCCN2C(=O)C2CCCCC2)n1 41122790 BDOOQVIYZKAWJB-AWEZNQCLSA-N 305.422 3.656 0 40 DHAB CCc1ccc(CNC(=O)N[C@@H]2CCOc3ccccc32)s1 47867429 HMLWABSMJWOJOT-OAHLLOKOSA-N 316.426 3.634 0 40 DHAB Cc1n[nH]c2ncc(CN[C@@H]3CCSc4ccccc43)cc12 48341074 TUBYJJIGEXHMOS-OAHLLOKOSA-N 310.426 3.593 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1 51354288 UCURJVGAHFXOGM-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB CCCCCC(=O)Nc1ccc2c(ccn2CCN(C)C)c1 51433614 GJNKVALASJSLSF-UHFFFAOYSA-N 301.434 3.722 0 40 DHAB COC[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 56922099 IPNPYLGBXXSWKI-KRWDZBQOSA-N 323.436 3.704 0 40 DHAB CC(C)Oc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 58702427 OOCPACXZVMWBHE-UHFFFAOYSA-N 305.324 3.682 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(C(=O)Nc1nncs1)C1CC1 65547445 WJPDALLZCMTOSE-SECBINFHSA-N 322.821 3.949 0 40 DHAB Cn1c(SCc2ccc(F)cc2F)nc2ccsc2c1=O 67259731 PXSQUGMVZQKMQV-UHFFFAOYSA-N 324.377 3.566 0 40 DHAB Nc1ccc2c(/C=C/c3ccccn3)nn([C@H]3CCCCO3)c2c1 69593873 NSPUYMWXWXSVAJ-LHUXKHBRSA-N 320.396 3.883 0 40 DHAB in-vitro COc1cccnc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F 71796428 NOTOBLPIEBBYOA-GFCCVEGCSA-N 324.302 3.765 0 40 DHAB CCOc1cc2c(cc1NCc1c(C)noc1C)O[C@H](C)C2 71857521 HSQFTOOFRZXYNZ-SNVBAGLBSA-N 302.374 3.626 0 40 DHAB CCc1csc([C@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 72282245 JWIHOHGXRPXIBV-JTQLQIEISA-N 323.849 3.707 0 40 DHAB OC1CCN(c2ccccc2NCc2ccc(F)c(F)c2)CC1 72287545 BFNPEOSOUOIPRP-UHFFFAOYSA-N 318.367 3.538 0 40 DHAB O=C(O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 74942056 KECJVGYDHQSYFK-UHFFFAOYSA-N 324.180 3.608 0 40 DHAB in-vitro O=C(NCCc1ccc(Cl)cc1)c1ccc2cnsc2c1 77946906 MQDROCOCSKDQAD-UHFFFAOYSA-N 316.813 3.922 0 40 DHAB Cc1cc(C[S@](=O)[C@@H](C)c2ccc(OC(F)F)cc2)no1 84117172 KIFQRCFILKXXFM-CHNSCGDPSA-N 315.341 3.594 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ncc[nH]1 95467283 WEICOKMDHXRLGJ-LBPRGKRZSA-N 324.306 3.798 0 40 DHAB Cc1ccsc1-c1nnc(NC(=O)Cc2ccccc2)s1 96346721 ZJAZKMKMMVIVKD-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB CCO[C@H](C)c1nc(-c2cc(C(=O)N(C)C)cs2)cs1 96433566 MYWRKIQISZOVBB-SECBINFHSA-N 310.444 3.671 0 40 DHAB COc1ccccc1CN(Cc1ccccc1)[C@@H](CO)C(C)C 97032742 VVOWZRANAQBLFJ-IBGZPJMESA-N 313.441 3.714 0 40 DHAB Cc1cc2ncc([C@@H](C)Nc3ccc4nc(C)oc4c3)c(C)n2n1 97038119 VWBOYIFQRNRGFX-LLVKDONJSA-N 321.384 3.969 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3CCOCC[C@@H]3C)s2)o1 97081480 RFUJWOUOVMHGQT-NSHDSACASA-N 305.399 3.568 0 40 DHAB CC/C(=C\C(=O)N(C)Cc1cnccn1)c1cccc(Cl)c1 98052848 OMHJLIOLTUABAB-JLHYYAGUSA-N 315.804 3.582 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(C)cc2C)c1 224867637 BEQCWNFSUFNGMY-UHFFFAOYSA-N 311.381 3.580 0 40 DHAB CCCC[C@](C)(OCCC)C(=O)Nc1cnc(OC)c(C)c1 225907456 ZTMVXUWFVQYEFO-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB Cc1cc(NC(=O)N2CC3(CCC3)c3ccccc32)nn1C(C)C 333504230 ICDSCTNLFHHPAS-UHFFFAOYSA-N 324.428 4.246 0 40 DHAB Cc1n[nH]cc1C1CCN(C(=O)c2cc(F)ccc2Cl)CC1 552033850 VDOZBHWVASHREJ-UHFFFAOYSA-N 321.783 3.530 0 40 DHAB O=C(O)c1cc(Br)c(C(F)(F)F)cc1Cl 575678967 ZFOHGYAHOICPJE-UHFFFAOYSA-N 303.461 3.820 0 40 DHAB CC(C)(C)C(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 1142774438 JZTUZDHGEACZEV-ZWKOTPCHSA-N 315.457 3.671 0 40 DHAB CCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 322950 KEFLWTSYRVTZOP-UHFFFAOYSA-N 316.213 3.784 0 40 DHAB Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 486926 WCRSDFKKXAVCQJ-IUODEOHRSA-N 300.789 3.829 0 40 DHAB biogenic CCc1cc(=O)oc2cc(OC(=O)c3cccc(OC)c3)ccc12 488841 VQQABGWDVPHSNJ-UHFFFAOYSA-N 324.332 3.583 0 40 DHAB biogenic Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1C 3325653 FBLDLKCGBIMYJK-GOSISDBHSA-N 315.438 3.659 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCc2ccccc21 3341865 GRFINIPGYWIJAD-IBGZPJMESA-N 304.393 3.904 0 40 DHAB C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1 3417458 FGFNQPDJJIIYQZ-HUUCEWRRSA-N 311.381 3.728 0 40 DHAB O=C(O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 3983226 MRZIHKOQUOWOIF-UHFFFAOYSA-N 301.367 3.577 0 40 DHAB CCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 5262295 UVLSNWRLMWEDPO-UHFFFAOYSA-N 313.781 3.842 0 40 DHAB CC1(C)CCC(=Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 5447711 PPDBOQMNKNNODG-KRWDZBQOSA-N 317.820 3.566 0 40 DHAB biogenic Cc1cc2nc(NC(=S)NC3CCCCC3)[nH]c2cc1C 6425820 YGJMMDFDOHHKPU-UHFFFAOYSA-N 302.447 3.799 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccccc2F)N1CC(F)(F)F 7113342 YDDOFYNIFWBSSI-CQSZACIVSA-N 324.277 3.955 0 40 DHAB O=C(Cc1ccccc1Cl)N[C@@H]1CCOc2ccccc21 7216140 NSNZQWCIESAAAR-OAHLLOKOSA-N 301.773 3.523 0 40 DHAB O=c1oc(-c2cccs2)nn1Cc1cccc2ccccc12 7250931 AVIBRMFNXJVCFP-UHFFFAOYSA-N 308.362 3.766 0 40 DHAB CCCCn1c(CCCCCNC(C)=O)nc2ccccc21 7343639 AVBJEVOFRODTQS-UHFFFAOYSA-N 301.434 3.685 0 40 DHAB Cc1ccc(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)c(F)c1 8924851 QXJGJVWICWMJCN-GOSISDBHSA-N 315.344 3.505 0 40 DHAB COc1ccc2nc(C)c(C(=O)Nc3ccc(C)cn3)cc2c1 9337733 CFNNGBMUHBYDFK-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccccc1 9604738 RIPLZIWIILSKPA-LLVKDONJSA-N 313.426 3.854 0 40 DHAB CCCc1cc(CNC(=O)c2oc3c(C)cccc3c2C)on1 12192492 LGYJUIBYQOARCS-UHFFFAOYSA-N 312.369 3.920 0 40 DHAB CCC[C@H](NC(=O)c1cc(C(C)C)nn1C)c1cccs1 12200029 DOPKYUTXEZBFEP-LBPRGKRZSA-N 305.447 3.876 0 40 DHAB Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 12525245 ITHAUMBMSXXONL-MRXNPFEDSA-N 319.408 3.980 0 40 DHAB c1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1 12893805 NRTMPMOIKZXEKE-UHFFFAOYSA-N 303.409 3.557 0 40 DHAB O=C(Nc1ccc(Nc2ncnc3sccc23)cc1)C1CC1 14324682 YWVSIUIGSGZFAN-UHFFFAOYSA-N 310.382 3.783 0 40 DHAB CCc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1 15604646 MQODAQWOLAVFNY-UHFFFAOYSA-N 305.381 3.746 0 40 DHAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)C1 20485997 CKEJEBVIPPRBQU-DLBZAZTESA-N 314.473 3.791 0 40 DHAB CSc1cccc(NC(=O)c2noc3c2C[C@@H](C)CC3)c1 20572142 GPLSTRSNNOLDKW-JTQLQIEISA-N 302.399 3.774 0 40 DHAB COc1ccc(CN(C)C(=O)CCn2ccc3ccccc32)cc1 21924623 HSRLQIQTZHJUBS-UHFFFAOYSA-N 322.408 3.699 0 40 DHAB CN(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cn1 22418715 OFRCPJFCFHKBEJ-UHFFFAOYSA-N 324.211 3.636 0 40 DHAB CCCOc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 23646750 XSDCHDFYZOHHDM-KRWDZBQOSA-N 311.381 3.729 0 40 DHAB CCCn1nc(C)cc1NC(=O)c1ccc(OC(C)C)cc1 28306163 PIDYAXLTPMESAQ-UHFFFAOYSA-N 301.390 3.641 0 40 DHAB C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 28384098 GGAWBWZDPWNXQA-NHYWBVRUSA-N 322.330 3.583 0 40 DHAB C[C@H]1CN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C[C@H](C)O1 32633742 DTXSBQNKUWQGCI-KBPBESRZSA-N 307.393 3.507 0 40 DHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 32818342 NZDKNAUVVSKDLS-KGLIPLIRSA-N 315.335 3.615 0 40 DHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc(C)nc2)c1 40046981 DQJMERNTNBOQBJ-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB CCOc1ccccc1NC(=O)CCCc1nc(C(C)C)no1 40515696 LCZABFSYMXQZER-UHFFFAOYSA-N 317.389 3.553 0 40 DHAB NC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127485 OHCHWSFPDBMCLK-UHFFFAOYSA-N 307.136 3.901 0 40 DHAB CC(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 42207314 DFXSKRGTDMCXEU-UKRRQHHQSA-N 314.351 3.856 0 40 DHAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F 47103157 ZUPXBYOZWRGSPD-CQSZACIVSA-N 323.371 3.508 0 40 DHAB CCCNC(=O)/C(=C/c1ccccc1C)c1nc2ccccc2[nH]1 51104834 KVBIZYUULVFYAV-DTQAZKPQSA-N 319.408 3.938 0 40 DHAB CC[C@H](C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 56212003 ABFITJQGCPKSNL-ZDUSSCGKSA-N 309.837 3.551 0 40 DHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(OC)nc1 58135524 QQRCUEFGHMNYGO-ROUUACIJSA-N 324.424 3.889 0 40 DHAB Cc1cc(C)cc(NC(=O)NCc2ccc(-n3ccnc3)cc2)c1 58168627 AJNIGGIYDCWGCV-UHFFFAOYSA-N 320.396 3.811 0 40 DHAB O=[S@](CCCOc1ccc(F)cc1)Cc1cccc(F)c1 58195984 QYLLYGJOMPNKRQ-NRFANRHFSA-N 310.365 3.683 0 40 DHAB O=C1COc2ccccc2CN1c1cccc(OC(F)(F)F)c1 65184293 RSJTWTFOQKAHSF-UHFFFAOYSA-N 323.270 3.511 0 40 DHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnn(C)c1C 69385008 DDOMSKWMFNWAQH-FUHWJXTLSA-N 311.429 3.527 0 40 DHAB Cc1ccc(N(Cc2ccco2)Cc2nnc(C3CC3)n2C)cc1 69440014 QEUKWYPLPWFKMN-UHFFFAOYSA-N 322.412 3.801 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)C[C@H](c1ccccc1)C(F)(F)F 69582574 OGOKXHXVXYGVQG-GFCCVEGCSA-N 311.307 3.701 0 40 DHAB COC(=O)CCc1cn(C(=O)OC(C)(C)C)c2ccccc12 71611225 URYXTMKVVGMDGB-UHFFFAOYSA-N 303.358 3.530 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1F 72331746 SCNFKPKPXRBSBS-UHFFFAOYSA-N 301.361 3.851 0 40 DHAB Cc1ccccc1[C@@H](NC(=O)N(C)Cc1nccs1)C1CC1 74890451 OAQJAFFLSMWDJB-INIZCTEOSA-N 315.442 3.744 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccncc1)[C@@H]1C[C@@H]1c1ccco1 84525067 QNNIAOYVBCOICF-YQVWRLOYSA-N 318.376 3.684 0 40 DHAB CC(C)N(C(=O)CN1CCC[C@@H]1c1ccncc1)c1ccccc1 89869690 HYVIQWCXHCCSPM-LJQANCHMSA-N 323.440 3.660 0 40 DHAB O=C(CCCc1ccccn1)NCc1ccc2ccccc2c1 89878756 GYRBQIGAEABOSR-UHFFFAOYSA-N 304.393 3.874 0 40 DHAB C[C@H]1C[C@@H](N[C@@H]2CCc3[nH]ncc3C2)c2ccsc2S1 90455477 QXLKQBXMTODBIX-DRCTWCGVSA-N 305.472 3.544 0 40 DHAB CC[C@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C 95095424 WACWLENGESNBKY-ZFWWWQNUSA-N 315.417 3.955 0 40 DHAB CC(C)(CNC(=O)c1ccc(O)c(Cl)c1)c1ccc(F)cc1 95349678 YLYSGJXIJHDCPL-UHFFFAOYSA-N 321.779 3.892 0 40 DHAB O=C([C@@H]1SCCc2sccc21)N1CC[C@@H](c2ccco2)C1 95403541 BQVLJUDQVWDOPC-IAQYHMDHSA-N 319.451 3.688 0 40 DHAB COCCCSc1ccc(NC(=O)NC2CC=CC2)cc1 95414257 UFMGNECBBXWMLA-UHFFFAOYSA-N 306.431 3.655 0 40 DHAB CC(=O)c1c(F)cccc1N1CCC[C@H](c2nccs2)C1 95994703 KOTHEOYNZOPRII-LBPRGKRZSA-N 304.390 3.869 0 40 DHAB CC(C)N(C)[C@@H]1CCN(Cc2ccncc2)[C@H]1Cc1ccccc1 96061668 LANNBHRMKANERX-RTWAWAEBSA-N 323.484 3.607 0 40 DHAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccccn1 96118058 SXYAGJHCBIMRJH-HNNXBMFYSA-N 309.344 3.509 0 40 DHAB c1ccc(N2CCC[C@]3(CCN(Cc4ccsc4)C3)C2)nc1 96216633 YSMUSOLMXQKXMV-GOSISDBHSA-N 313.470 3.636 0 40 DHAB CCc1cnc(CN(C)C(=O)N[C@@H](C)c2cc(C)oc2C)s1 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CC(C)[C@H](CC(=O)N(C)[C@H]1CCOC(C)(C)C1)c1ccco1 9547323 WVZVDSQHFZNLSC-GJZGRUSLSA-N 307.434 3.825 0 40 DHAB CC(=O)Nc1c(C)cccc1C(=O)OCc1cccc(F)c1F 11946642 ODJUDQUNWQGBID-UHFFFAOYSA-N 319.307 3.589 0 40 DHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccn1 12360594 YYEGEBUJWVQTPR-UHFFFAOYSA-N 310.353 3.766 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 12898245 DFPCUBSLWAHWGF-MGPQQGTHSA-N 320.458 3.795 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)c2cc(F)cc(F)c2)c1 12901304 KGOKGGFYTOQZDJ-UHFFFAOYSA-N 304.296 3.566 0 40 DHAB Cc1ccc(-n2ncc(C(=O)N(C)Cc3ccc(C)o3)c2C)cc1 12997831 NMPNBVSUAMYDSY-UHFFFAOYSA-N 323.396 3.663 0 40 DHAB Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ncccc23)cc1 13569743 VSNLAZKVACCHNA-UHFFFAOYSA-N 320.377 3.851 0 40 DHAB Cc1nc(-c2ccccc2Cl)nc2sc(C(N)=O)c(C)c12 13691735 JDBHGYMVOWMOMS-UHFFFAOYSA-N 317.801 3.727 0 40 DHAB CCN1C(=O)Cc2cc(NC(=O)c3cccc(Cl)c3)ccc21 17288905 STUOXMQCOKPWIV-UHFFFAOYSA-N 314.772 3.501 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2)c1C 20109048 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3.642 0 40 DHAB C[C@H](Oc1ccccc1NC(=O)[C@@H]1CCCO1)c1ccccc1 79360308 AFBPGPBLZDLZCW-KSSFIOAISA-N 311.381 3.944 0 40 DHAB Cc1ccnc(SC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 79440843 AQSGSFRJQIQVFY-ZDUSSCGKSA-N 308.447 3.882 0 40 DHAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1nccs1 92868490 MWQTYMFVUJQEFH-GFCCVEGCSA-N 319.434 3.632 0 40 DHAB CCCC[S@@](=O)Cc1cnc(-c2ccc(Cl)cc2)nc1 95414488 FLASLZQMIZNMKB-FQEVSTJZSA-N 308.834 3.846 0 40 DHAB Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(-n3cncn3)cc1)CC2 95419443 FTSVKBAMOFXCJD-FOIQADDNSA-N 318.424 3.914 0 40 DHAB Cc1nc(CN2CCC(CN[C@H]3CCC(C)(C)C3)CC2)cs1 96011758 LCKFSJYHMCEKCW-INIZCTEOSA-N 321.534 3.832 0 40 DHAB CN(Cc1cc2ccccc2o1)C(=O)CSc1ccncc1 96445176 LMHYEULNUWTZJF-UHFFFAOYSA-N 312.394 3.579 0 40 DHAB C[C@@H](NC(=O)CCCOc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999242 WLHLXJWNOQGCPP-YFHUEUNASA-N 301.430 3.787 0 40 DHAB O=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1C[C@H]2CC[C@H]1C2 106559355 BNWVPYPVPUECRC-XEZPLFJOSA-N 309.369 3.644 0 40 DHAB Cc1ccc([C@@H](C)NC2CCN(CCOC(C)C)CC2)s1 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FXQSIFYTVIYLTM-UHFFFAOYSA-N 313.397 3.628 0 40 DHAB CC(C)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 4164579 JQKCVMHFHDPFRO-JZXOWHBKSA-N 305.462 3.813 0 40 DHAB COc1ccc(C(=O)Nc2cccc3ccc(C)nc23)c(OC)c1 4413188 HBKLAZVVFAOLPQ-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB O=C1S/C(=C\c2cccc(F)c2)C(=O)N1c1cccc(O)c1 5376200 RABPMCZLKSSQSQ-ZSOIEALJSA-N 315.325 3.772 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc(F)c(F)c2F)c1C 5404466 CPCXZCSGUTWQKD-UHFFFAOYSA-N 309.287 3.738 0 40 DHAB COc1ccc(CCNC(=O)c2c(Cl)cccc2Cl)cc1 5526989 KOAXSBQIFMANQP-UHFFFAOYSA-N 324.207 3.975 0 40 DHAB C[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1Cl 5993661 SCJBKAAOYBGJOE-LURJTMIESA-N 322.743 3.517 0 40 DHAB CN(C)C[C@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1 6437106 FDNLKUJUVDJABD-INIZCTEOSA-N 303.789 3.532 0 40 DHAB Cc1cc(C(=O)CCC(=O)NCc2ccccc2F)c(C)s1 6605708 ZVAKFARLPCARMR-UHFFFAOYSA-N 319.401 3.783 0 40 DHAB O=C(COc1ccccc1)NCCSc1ccc(Cl)cc1 7705793 GYZDBIYLBXSTLT-UHFFFAOYSA-N 321.829 3.627 0 40 DHAB CCOc1ccccc1OCC(=O)Nc1ccc(C)cc1F 7780083 DOUJIGRQKWPPAN-UHFFFAOYSA-N 303.333 3.550 0 40 DHAB CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 8691082 FUBMAKIAKSVODK-UHFFFAOYSA-N 300.383 3.672 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)c1ccco1 8726614 BYVFRTRCWLBCRN-CQSZACIVSA-N 308.381 3.865 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)c1ccccc1 10859726 BWACFVCDNADZGI-UHFFFAOYSA-N 323.323 3.722 0 40 DHAB Brc1ccc(OCc2nc3ccccc3[nH]2)cc1 12486945 KPGHQWQRRIVWLW-UHFFFAOYSA-N 303.159 3.904 0 40 DHAB Cc1ccc(-c2noc(CN3c4ccccc4C[C@@H]3C)n2)cc1 12592581 LADKGTMUEYXNCV-AWEZNQCLSA-N 305.381 3.996 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 12619130 MHUGLSJBDTZVBX-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB O=c1ccc2ccc(OCCOc3cccc(Cl)c3)cc2o1 12815252 IWNRKZUVOFHUKG-UHFFFAOYSA-N 316.740 3.904 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)CCc2ccccc2)c1C 12904279 BNVQHZLFRFHSRP-GFCCVEGCSA-N 312.413 3.585 0 40 DHAB CCc1ccc(NC(=S)NCCc2ccc(OC)cc2)cc1 13816687 MVIQBZLWMDRJQM-UHFFFAOYSA-N 314.454 3.787 0 40 DHAB CC(C)c1csc(NC(=O)c2cnn(-c3ccccc3)c2)n1 14093449 NONGQVNJROPBOL-UHFFFAOYSA-N 312.398 3.705 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 14183784 QAHPZVUXFJZUIM-UHFFFAOYSA-N 306.724 3.690 0 40 DHAB O=C(Nc1ccc2sc(C(=O)O)cc2c1)c1ccc(F)cc1 20136085 LVCBKOXMXQFKRU-UHFFFAOYSA-N 315.325 3.991 0 40 DHAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(Cl)c1 20138048 ATTXBVCLMFZOCW-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CC[C@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245657 SFNCPVMKYHWBJY-VIFPVBQESA-N 307.394 3.863 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1 23268983 VIZMAIACFINCLF-MRXNPFEDSA-N 319.408 3.623 0 40 DHAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCOc2ccccc21 24568129 WTRBGRVZCFFJGE-GOSISDBHSA-N 320.392 3.659 0 40 DHAB C[C@@H](Sc1nnc(N)s1)c1ccc(OC(F)F)cc1 48987267 HRPJYTQEOZFUAT-ZCFIWIBFSA-N 303.359 3.575 0 40 DHAB COc1ccc2cc3c(nc2c1)OCCN(c1ccccc1)C3 57710117 UCEQJDKFCLWGJE-UHFFFAOYSA-N 306.365 3.642 0 40 DHAB C[C@H]1CCN(C(=O)c2cccc3c2OCCO3)c2ccccc21 58407702 GUWLKLNBBSCUHP-ZDUSSCGKSA-N 309.365 3.612 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N[C@H](C)C(C)(C)C)c(Cl)c1 71902340 BRFXJGPXCQDFOF-SECBINFHSA-N 311.813 3.855 0 40 DHAB O=C(Cc1cccc(Br)c1)Nc1ccc(F)cc1 72064053 FZOBVLYZJFNMCG-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H]2CCCNC2)n1 72209128 UBRFZROFCSZQGF-LLVKDONJSA-N 321.808 3.644 0 40 DHAB COC[C@@H](C)NC(=O)N(Cc1ccccc1)C1CCCCC1 72289585 UJTMCCRCIJQHDJ-OAHLLOKOSA-N 304.434 3.566 0 40 DHAB Cc1nc2sccn2c1CNCc1ccccc1OC(C)C 75127217 KKDFIDKKLPVHQN-UHFFFAOYSA-N 315.442 3.781 0 40 DHAB C[C@@H]1Oc2ccccc2CN(c2cc(Cl)ccc2F)C1=O 75165503 YLSUXIAAPTVJCV-JTQLQIEISA-N 305.736 3.793 0 40 DHAB OCC1CCN(Cc2ccccc2NCc2ccccc2)CC1 78920717 BYSHRGNVOKAGHR-UHFFFAOYSA-N 310.441 3.503 0 40 DHAB COCCCCSc1nnc(-c2ccc(Cl)s2)o1 88500704 YMYIPIIBXAOREZ-UHFFFAOYSA-N 304.824 3.970 0 40 DHAB CCc1nc2cc(NC(=O)[C@H](OC)c3ccccc3)ccc2o1 95365185 ZWFFYWSNGSNYSS-QGZVFWFLSA-N 310.353 3.716 0 40 DHAB CC(C)NC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 95475012 YKRPOSXNLZOTFL-HNNXBMFYSA-N 304.821 3.840 0 40 DHAB Fc1ccc(-n2cc(CNc3ccc(F)cc3F)cn2)cc1 95996681 AEISEVBVORFZGI-UHFFFAOYSA-N 303.287 3.902 0 40 DHAB O=C(NC1CCCCCC1)c1ccn(-c2ccc3ccccn23)n1 96038049 PMZPXONABCTBQU-UHFFFAOYSA-N 322.412 3.578 0 40 DHAB CC(C)n1cc(C(=O)NCCc2ccc(O)cc2)c2ccccc21 96114928 MPSFNRJWJXYCPE-UHFFFAOYSA-N 322.408 3.900 0 40 DHAB biogenic Cc1cc([C@@H](C)NC(=O)Nc2cccc([S@](C)=O)c2)c(C)o1 96410686 FJYZABURJSZSTK-RKFFSXRUSA-N 320.414 3.517 0 40 DHAB Cc1csc([C@H](NC(=O)CO[C@H]2CCC[C@H](C)C2)C2CC2)n1 96425450 KXROOZBYGRZDSN-HZUKXOBISA-N 322.474 3.614 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NC[C@@H](C)c2nccs2)c1 97113215 QTQNVMFWVHTMTE-VXGBXAGGSA-N 319.430 3.776 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2C[S@@](C)=O)c1Cl 97139719 GDRCGUISXJXTNP-NRFANRHFSA-N 321.829 3.779 0 40 DHAB COc1cc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(OC)cc1Cl 100626228 WHHFFWXAHHEODY-GMTAPVOTSA-N 309.793 3.732 0 40 DHAB COc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 123014705 JTEXKCSBTORLSR-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB Cc1sc(C(=O)Nc2ccnn2C)cc1-c1ccc(F)cc1 129949305 SMPKASBFIHLVCM-UHFFFAOYSA-N 315.373 3.848 0 40 DHAB COc1ccc(Br)cc1-c1nc2cc(N)ccc2o1 216731901 AHYSAOYJPHDVMZ-UHFFFAOYSA-N 319.158 3.848 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1C 224603581 VYELQJOBHIETPQ-IRXDYDNUSA-N 311.425 3.991 0 40 DHAB COc1ccc(C)cc1C[C@@H](Oc1ccccc1Cl)C(=O)O 225117325 WLRKHPLVAPXXQC-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CC(C)OCCCNC(=S)Nc1cccc(OC(C)C)c1 225375992 XIOBYVPUUDDSDR-UHFFFAOYSA-N 310.463 3.575 0 40 DHAB CO[C@@H](CNC(=O)c1cc(C)oc1C)c1ccc(Cl)s1 225700266 RJSMVJPDDXIYHF-NSHDSACASA-N 313.806 3.729 0 40 DHAB CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C(=O)OC 225787440 HSYPHKYLDPEIJG-UHFFFAOYSA-N 319.401 3.781 0 40 DHAB CCN1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2 225822094 SYLGZUKPMZVTKS-UHFFFAOYSA-N 313.319 3.525 0 40 DHAB CCOc1cccc(C(=O)Nc2cc(Cl)c(C)cc2N)c1 226349445 PBXNIRDJYOEDQT-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB CC(C)Oc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 409020938 WAAKGLODKQHDTD-SFQUDFHCSA-N 322.364 3.571 0 40 DHAB CCN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O 409109048 XCGYSMOALARPDF-FNORWQNLSA-N 318.217 3.567 0 40 DHAB CCOc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OC(C)C 409330490 AUMZLPZMSFUHNT-NTEUORMPSA-N 321.398 3.539 0 40 DHAB CC(C)[C@@H](C(=O)N1CC[C@@H](c2cccnc2)C1)c1ccccc1 583996055 GUKRSSIJYAWBDQ-RTBURBONSA-N 308.425 3.837 0 40 DHAB C[C@@H](CC(=O)N(C)Cc1ccns1)Cc1cccc(F)c1 585127192 SJOBNEHTBAOGEV-GFCCVEGCSA-N 306.406 3.510 0 40 DHAB COC[C@@H](C)N(C)C(=O)c1cnc(-c2ccccc2Cl)s1 585139827 SMBJAYBSAVLLRP-SNVBAGLBSA-N 324.833 3.570 0 40 DHAB CC(=O)c1c(OC(=O)c2ccccc2)ccc2c(C)cc(=O)oc12 485763 DODFXUYTPMXGSV-UHFFFAOYSA-N 322.316 3.523 0 40 DHAB biogenic O=C(CCN1CCCCCC1)c1ccc(Br)cc1 503357 RWKADYAUQPUXND-UHFFFAOYSA-N 310.235 3.898 0 40 DHAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1O[C@@H](C)CC 1012926 LPQQVNKVHYOADV-RSYJBZMQSA-N 321.398 3.587 0 40 DHAB Cc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C 2433157 DHHGZVYUCARAFR-IWGBCORSSA-N 318.420 3.632 0 40 DHAB Cc1ccc(OC[C@H](O)CNC(C)(C)CC(C)(C)C)c(C)c1 2476187 SEPJUGHASWFWPQ-MRXNPFEDSA-N 307.478 3.848 0 40 DHAB CCc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3245574 VXBIAWLRPHNZBM-UHFFFAOYSA-N 323.421 3.923 0 40 DHAB Cn1c(S)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 3379434 MHVSEBVBDDIKQE-SNVBAGLBSA-N 307.488 3.983 0 40 DHAB CCCCN(CCCC)C(=O)[C@@H]1CC(=O)OC12CCCCC2 4110885 HCUJGJDBBBLUPM-HNNXBMFYSA-N 309.450 3.681 0 40 DHAB Cc1ccc(Cn2cccc(NC(=O)c3cccs3)c2=O)cc1 5000880 PJYGSBQRLOAMQD-UHFFFAOYSA-N 324.405 3.519 0 40 DHAB CC(C)n1cnnc1S[C@H](C)C(=O)c1c[nH]c2ccccc12 5416949 MWMCTXIJNQRNPZ-LLVKDONJSA-N 314.414 3.704 0 40 DHAB COc1cc(NC(=O)CCCc2cccs2)cc(OC)c1 5681773 MWPPZEKRMHKXAS-UHFFFAOYSA-N 305.399 3.727 0 40 DHAB COc1ccc(C)cc1N[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C 5931203 OOWPNHNGVOBDCJ-SOUVJXGZSA-N 304.434 3.594 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2cc(C)ccc2C)cc1 7041948 CADKSTMIHFEIHP-AWEZNQCLSA-N 310.397 3.945 0 40 DHAB COc1ccc(SCC(=O)NC[C@@H](C)c2ccccc2)cc1 7312282 ABUHAKZBZWPZND-CQSZACIVSA-N 315.438 3.707 0 40 DHAB COc1ccc2nc(C)c(CN3CCCC[C@H]3C)c(O)c2c1 8700907 KPVOCIDZKIFLAP-GFCCVEGCSA-N 300.402 3.632 0 40 DHAB CC[C@@H](C)c1ccc(N[C@@H](C)C(=O)Nc2cc(C)on2)cc1 9368111 GPGXXEQUWIPAQP-YPMHNXCESA-N 301.390 3.936 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C 10773098 XDGQQANKGWDIGE-UHFFFAOYSA-N 302.761 3.859 0 40 DHAB Cc1cc2cc(C(=O)NC[C@@H]3CCCN(C(C)C)C3)ccc2o1 12199528 PXINLEZIVHZVAH-HNNXBMFYSA-N 314.429 3.591 0 40 DHAB C=Cc1ccc(COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 12899779 PQQRGRNWIDMQFR-UHFFFAOYSA-N 318.376 3.565 0 40 DHAB biogenic C[C@@H](Sc1nncc2ccccc12)C(=O)Nc1ccccc1 12986932 VUWBKMVXJNXFQV-GFCCVEGCSA-N 309.394 3.749 0 40 DHAB CC[C@H](C(=O)OCc1nc(-c2ccccc2)no1)c1ccccc1 12997215 KSSPZJJHWYZYHP-INIZCTEOSA-N 322.364 3.974 0 40 DHAB COc1ccccc1OCC(=O)N[C@@H](C)c1cc(C)ccc1C 14573751 NBHAHXTWMKZXHE-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB CC[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 15539564 XMAKRJNLWITEOG-AWEZNQCLSA-N 321.376 3.717 0 40 DHAB OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 15973783 FQJQTTBCIIPRSL-ZPHPHTNESA-N 314.385 3.580 0 40 DHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F 16301734 MVCSRHTYQPJVJC-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB O=C(Cc1ccccc1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20137081 PSWARIWMDSGUMD-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2NC1=O 21793290 JPRCINHPGWCUQB-LLVKDONJSA-N 314.772 3.575 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)c1ccc(-n2cccn2)cc1 21797214 QFIFMKHQIOCFIW-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB O=C(NCCc1cccnc1)C(c1ccccc1)c1ccccc1 23874809 SBVZHDHUICLRSH-UHFFFAOYSA-N 316.404 3.572 0 40 DHAB CCOc1c(OC)cccc1C(=O)NCc1ccccc1Cl 27517451 WYZFDYZWKHNKBN-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(F)c(F)c1F 28210657 WXWFLGNFUHXYIK-LLVKDONJSA-N 307.315 3.855 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc(C)c3ncccc23)c1 31092726 PQUCIZIVWCGEMA-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB Cc1ccc([C@@H](NC(=O)NCC2CC2)c2cccs2)cc1 32795377 XANXMOOWLKEANJ-MRXNPFEDSA-N 300.427 3.855 0 40 DHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccncc1 36661935 CZQGLMYLKXYXJX-GOSISDBHSA-N 319.408 3.708 0 40 DHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(-c2ccco2)on1 38490056 VLXVBCBXWJNWTG-UHFFFAOYSA-N 320.308 3.577 0 40 DHAB CC(C)CCNC(=O)Cn1ccc2cc(Br)ccc21 41128023 JMOQGILUOXVCHY-UHFFFAOYSA-N 323.234 3.566 0 40 DHAB CCN(C(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1C 45510347 ZYEJFNUBEIRYAK-UHFFFAOYSA-N 313.397 3.987 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1 48342840 IZPQGDZCGHSANX-UHFFFAOYSA-N 323.783 3.727 0 40 DHAB Cc1noc([C@H]2CCCN(Cc3c(F)cccc3Cl)C2)n1 52861382 OZSVZNQYICGZBJ-NSHDSACASA-N 309.772 3.550 0 40 DHAB CN(C(=O)C1=NO[C@H](c2ccccc2)C1)[C@H]1CCc2ccccc21 54365676 SFIFAMLYYDJCIO-OALUTQOASA-N 320.392 3.650 0 40 DHAB CCOc1ccccc1OC1CCN(C(=O)CC(C)(C)C)CC1 55614612 VKWVUYKEQOICAM-UHFFFAOYSA-N 319.445 3.891 0 40 DHAB CCCCn1c(S(=O)(=O)Cc2ccccc2C)nc(C)c1C 63870584 WHQQPNHOOCPLHA-UHFFFAOYSA-N 320.458 3.582 0 40 DHAB CCN(C)c1ccc(C(=O)Nc2cccc(-n3ccnc3)c2)cc1 65518111 GZTWRUHNJJUONZ-UHFFFAOYSA-N 320.396 3.581 0 40 DHAB O=C(Cc1cccc(Cl)c1)NCCCOC1CCCCC1 67901537 WHLQKVQSODERCR-UHFFFAOYSA-N 309.837 3.738 0 40 DHAB CC(C)(C)n1cc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 68292253 RZLSQUSBKCYRSZ-VXGBXAGGSA-N 317.355 3.945 0 40 DHAB Cn1c([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21 71839191 NTZFUUZYECLART-RHSMWYFYSA-N 309.413 3.593 0 40 DHAB CC[C@@H](C)C(=O)NCCCC1(C2OCCO2)CCCCCC1 72301405 SEUNPFHPRHLBBC-OAHLLOKOSA-N 311.466 3.642 0 40 DHAB CCc1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cs1 72391489 DZCZQLDOHGEVHK-LLVKDONJSA-N 319.426 3.819 0 40 DHAB Cc1cc(C)c(CN[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1C 76057658 XBYCEBRGVQNPMY-IEBWSBKVSA-N 316.489 3.594 0 40 DHAB O=C(/C=C/c1ccccn1)Nc1cccc(Oc2ccncc2)c1 84609777 IYYRTCBPVPQFPJ-BQYQJAHWSA-N 317.348 3.921 0 40 DHAB CC[C@H](c1ccc(Cl)cc1)N1CCn2c(nnc2C2CC2)C1 84734033 SXJFGGGRAHLFMQ-OAHLLOKOSA-N 316.836 3.776 0 40 DHAB CCN1CCN(C(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1 84789230 LEHQDVCBDGRRNA-VAWYXSNFSA-N 320.436 3.531 0 40 DHAB O=C(Nc1cc(-c2ccccc2)on1)N1C[C@H]2CCCC[C@H]2C1 85611004 LAHHYPDAIBETTG-GASCZTMLSA-N 311.385 3.996 0 40 DHAB CCN(C(=O)c1ccc(Cl)cn1)[C@@H](c1cccnc1)C(C)C 95398770 XTHQEVJZYOEYRI-MRXNPFEDSA-N 317.820 3.989 0 40 DHAB C[C@H](N[C@@H](C)C1CCCCC1)C(=O)N[C@@H](C)c1ccccc1 95404422 JZUWJAHQMDUHSO-JYJNAYRXSA-N 302.462 3.811 0 40 DHAB O=C(C1CCCC1)N1CC[C@H](N[C@H]2CCCc3sccc32)C1 95423915 KPNPBGLPBDAABH-HOCLYGCPSA-N 318.486 3.506 0 40 DHAB CCOC(=O)CCCCOc1cc(F)ccc1Br 95733954 VCGUFTKUBHCGMM-UHFFFAOYSA-N 319.170 3.700 0 40 DHAB CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(CC)s1 95969212 NNYNWSWCPRHXCT-YPMHNXCESA-N 304.463 3.650 0 40 DHAB c1csc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)c1 96057903 DAKPXBWBDGCWCO-RCCFBDPRSA-N 321.486 3.687 0 40 DHAB CCc1cc(CN[C@H]2CCCOc3c(C)cc(C)cc32)on1 96478224 YYWSNHRHNKDSLV-KRWDZBQOSA-N 300.402 3.857 0 40 DHAB CCSc1ccc(NCc2ccc([S@](C)=O)cc2)cn1 96483182 CDPJRZCIIUPFON-HXUWFJFHSA-N 306.456 3.543 0 40 DHAB COC(=O)CCCC(=O)N1Cc2ccccc2-c2ccccc2C1 97080086 XEIHHNYGPJMKKK-UHFFFAOYSA-N 323.392 3.539 0 40 DHAB Fc1ccc(C2CC(N[C@@H]3CCO[C@]4(CCSC4)C3)C2)cc1 97084850 XNCHQZOMGUYQMN-XYQBIQKZSA-N 321.461 3.716 0 40 DHAB O[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100517697 KPKKFLBYCOLRQR-ZZSFMQEBSA-N 316.826 3.583 0 40 DHAB CCOc1ccc2c(c1)s/c(=N/C(=O)C1CCCCC1)n2C 100814216 BEKQXJSIPLHSMC-ISLYRVAYSA-N 318.442 3.646 0 40 DHAB COc1cccc(CNCCCc2c[nH]c3ccccc23)c1OC 107714224 BLPHYMSOQXRVIE-UHFFFAOYSA-N 324.424 3.908 0 40 DHAB O=C(CCc1cccs1)N1CCC[C@@H](Cc2ccccn2)C1 257252890 JWOGAKYGTZKBFO-HNNXBMFYSA-N 314.454 3.557 0 40 DHAB COC(=O)CCCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 575360710 HELMDPGPRGMZBG-UHFFFAOYSA-N 308.683 3.885 0 40 DHAB CCC(CC)n1ncc(C(=O)N[C@H](C)c2ccc(F)cn2)c1C 585088324 VUWHFHBTORAQSE-LLVKDONJSA-N 318.396 3.578 0 40 DHAB O=C(NCc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008781 MYDHWLSMNJFNMA-ROUUACIJSA-N 314.404 3.999 0 40 DHAB CCOC(=O)c1cc(-c2c(Cl)ccc(F)c2Cl)on1 1857794070 HXQHLCSFBUWZMY-UHFFFAOYSA-N 304.104 3.964 0 40 DHAB O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(Cl)ccc12 178195 JBYYCADPMPVKLO-UHFFFAOYSA-N 314.724 3.885 0 40 DHAB CC(C)(C)c1oc2cc(Br)c(O)cc2c1C(=O)O 307913 LXKISVZLLQENGS-UHFFFAOYSA-N 313.147 3.897 0 40 DHAB biogenic Cc1cccc(NC(=S)NC(=O)c2ccc(F)cc2)c1C 359657 BNWRAVYAACOJCQ-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB CCOc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 530167 WZROQQQMEKDVDC-ZWKOTPCHSA-N 320.396 3.823 0 40 DHAB CC(C)CCN1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 1441210 HCMNXGZMFWHCEN-HXUWFJFHSA-N 309.409 3.576 0 40 DHAB Cc1ccc(C(=O)CSc2nncn2-c2ccccc2)c(C)c1 3364468 QZNPDMOVESODRM-UHFFFAOYSA-N 323.421 3.859 0 40 DHAB O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCc2ccccc2C1 3378240 MXXPAZQXSKOEHC-UHFFFAOYSA-N 322.191 3.898 0 40 DHAB O=C(OCc1nc2ccccc2s1)c1c(F)cccc1F 3396651 ASSUBVOYSLOGQX-UHFFFAOYSA-N 305.305 3.932 0 40 DHAB Cc1csc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n1 3404017 KLGDNMPUPOQCBE-UHFFFAOYSA-N 301.198 3.940 0 40 DHAB C[C@@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 4404507 YLQSFTKJKOZBBJ-APWZRJJASA-N 315.457 3.988 0 40 DHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cc2ccccc2o1 5550121 VVPNKPHSNQDXTG-UHFFFAOYSA-N 320.348 3.577 0 40 DHAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H](O)c1ccccc1 6852949 MMHHGWQXSWYUEY-ABAIWWIYSA-N 323.314 3.557 0 40 DHAB CCCCC[C@@H](C)NC[C@H](O)COCc1ccccc1Cl 6940258 LFWAWRNAGYWOIA-ZBFHGGJFSA-N 313.869 3.776 0 40 DHAB Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccccc1 7165388 CWZNKGYEQHGNHP-GZTJUZNOSA-N 307.397 3.526 0 40 DHAB CC1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 7213444 WHVCFDGAVFADOF-UHFFFAOYSA-N 303.427 3.697 0 40 DHAB CS(=O)(=O)c1ccc(-c2csc(-c3cccs3)n2)cc1 7736647 HHOLFOUTDIGFHJ-UHFFFAOYSA-N 321.448 3.942 0 40 DHAB COc1ccccc1Oc1ccc(NC(=O)c2cnccn2)cc1 8770384 LYSMTFSHHPOKPJ-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3F)cc2NC1=O 9377199 IJHQGBFIQVXHTJ-VIFPVBQESA-N 316.357 3.511 0 40 DHAB Cc1nnc(NC(=O)c2oc3ccc(Cl)cc3c2C)s1 9451295 QXBMVTNDYFRNLT-UHFFFAOYSA-N 307.762 3.807 0 40 DHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(F)cc3)cc2NC1=O 9885407 HWOLGPDSVKFSCQ-VIFPVBQESA-N 316.357 3.511 0 40 DHAB Cc1ccc(CN[C@H](c2ccc(C)cc2C)P(=O)(O)O)cc1 12997472 JSHUXALHHSMGIJ-KRWDZBQOSA-N 319.341 3.578 0 40 DHAB COc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1OC 13010286 SOVBEVXBUVVMQT-LLVKDONJSA-N 319.788 3.848 0 40 DHAB CC(=O)Nc1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1 13140814 NMYWLJYLFHEYAE-UHFFFAOYSA-N 322.364 3.881 0 40 DHAB Fc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)c(F)c1 13787423 UNBUSLVBNGRDQE-UHFFFAOYSA-N 308.309 3.502 0 40 DHAB Cc1cc(C)cc(NC(=S)NCCc2ccc(O)cc2)c1 17025139 UODCZKMVEKNLNZ-UHFFFAOYSA-N 300.427 3.538 0 40 DHAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 17916568 PHVJODAZHOSZRV-ZDUSSCGKSA-N 309.344 3.502 0 40 DHAB O=C(Cc1ccccn1)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19373832 XKEGCBQWPRMIQS-QCFAMHMHSA-N 320.436 3.713 0 40 DHAB Cc1cccc(-c2nc3n(n2)N=C(c2ccccc2)CS3)c1 19910199 MEOZQXKEPYOPPJ-UHFFFAOYSA-N 306.394 3.612 0 40 DHAB COc1ccccc1C1=N/C(=C\c2ccc([C@H]3C[C@@H]3C)o2)C(=O)O1 25318141 NDLRFSLZRLMBIR-BNBULKTBSA-N 323.348 3.756 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1C 32585320 YDNYSJGFQMVOMS-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB Cc1ccc(C)n1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 40146578 YKYNZTSYHFZTMW-GOSISDBHSA-N 302.393 3.758 0 40 DHAB NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 44033709 WDNBKOIMRQBQAD-OWBHPGMISA-N 300.361 3.821 0 40 DHAB C[C@H](c1ncnc(Cl)c1F)[C@](C)(O)c1ccc(F)cc1F 44460319 WGWRADFMZDPUIH-UOWDBTKRSA-N 316.710 3.559 0 40 DHAB C[C@H](NC(=O)N[C@H](C)CCc1ccco1)c1ccccc1F 45035706 NIOCEVIHHDLKEQ-OLZOCXBDSA-N 304.365 3.800 0 40 DHAB O=C(NCc1ccc(O)cc1)N1CCC[C@@H]1c1ccsc1 45529824 RYDBRAFDWYJTNP-OAHLLOKOSA-N 302.399 3.500 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)C1(c2cccc(Cl)c2)CC1 47644294 ZQGAULUOSPLSQA-UHFFFAOYSA-N 318.804 3.635 0 40 DHAB O=C(NCCc1ccccc1)N(Cc1ccco1)C1CCCC1 58159989 LEIBDGCOEXLPMR-UHFFFAOYSA-N 312.413 3.977 0 40 DHAB CC(=O)c1cccc(NC(=O)NCc2cccc3cccnc23)c1 58245818 IVJGAVLTJKNMLZ-UHFFFAOYSA-N 319.364 3.759 0 40 DHAB O=C(Nc1ccccc1)c1ccc2c(c1)nnn2C1CCCC1 64818550 DCPUZRRXEMWVQP-UHFFFAOYSA-N 306.369 3.799 0 40 DHAB Cc1ccccc1CC(=O)Nc1ccc(Cn2ccnc2C)cc1 69414487 VXHBBTUYTWGPMK-UHFFFAOYSA-N 319.408 3.729 0 40 DHAB CCCn1c(SCCSCC)nnc1-c1ccncc1 69979986 BXRZXIKCOQGTLH-UHFFFAOYSA-N 308.476 3.595 0 40 DHAB Cn1ccc2cc(C(=O)Nc3cccc4c3ccn4C)ccc21 70666296 QRBBGJYLHGIWJS-UHFFFAOYSA-N 303.365 3.922 0 40 DHAB biogenic CCOCCOc1c(Cl)cccc1NC(=O)N(CC)CC 71842100 MQRFAGNJDVYZTJ-UHFFFAOYSA-N 314.813 3.629 0 40 DHAB CC(C)c1nc([C@H]2CCCN(C(=O)CC3=CCCCC3)C2)no1 72270322 SSCXGOTUZSFKAM-HNNXBMFYSA-N 317.433 3.790 0 40 DHAB CCn1cc2ccc(NC(=O)c3ccccc3C(C)=O)cc2n1 73125096 XVWSPRGGWQDYER-UHFFFAOYSA-N 307.353 3.511 0 40 DHAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCCO2)c(C(F)(F)F)c1 78512014 YCFOIZDDVLVATB-ZDUSSCGKSA-N 317.307 3.610 0 40 DHAB CC(C)(C)OC(=O)N(CC(=O)O)c1cccc2ccccc12 78644324 VSBLSZBSWQIDFL-UHFFFAOYSA-N 301.342 3.666 0 40 DHAB COc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1Cl 78755149 JMIVDKLJJCAZAV-CQSZACIVSA-N 323.179 3.856 0 40 DHAB CCOc1c(C)cc(-c2noc([C@H]3CCCCN3)n2)cc1C 95095398 AQNYDELVONKIJC-CQSZACIVSA-N 301.390 3.567 0 40 DHAB Cc1nc(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)oc1C 95415064 HCCVBMLVLGTFRT-ZDUSSCGKSA-N 315.373 3.715 0 40 DHAB O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOC2(CCCC2)C1 95422735 KHHOCRAGKYZEEW-CHWSQXEVSA-N 319.367 3.527 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(F)c1 95918007 MUXQNPCTAODZDG-CYBMUJFWSA-N 309.337 3.596 0 40 DHAB COC(=O)C1CCC(C(=O)N(C)C2CCCCCCC2)CC1 95979942 SBBYCMJKEOYFBD-UHFFFAOYSA-N 309.450 3.537 0 40 DHAB Cn1cc(-c2noc(-c3cc(C4CC4)nc4ccccc34)n2)cn1 96405271 FLLBRMOSFBKTKP-UHFFFAOYSA-N 317.352 3.563 0 40 DHAB C[C@H](NCc1cccc(C(N)=O)c1)c1cc(Cl)cc(Cl)c1 96476490 OXGGJSPHPRKOHD-JTQLQIEISA-N 323.223 3.943 0 40 DHAB CC(C)(C)Sc1cc(CNC(=O)NCc2ccco2)ccn1 97046720 ZUPRJSFUSLRCFF-UHFFFAOYSA-N 319.430 3.565 0 40 DHAB Cc1csc(C2=C(O)CN(c3cccc(Cl)c3)C2=N)n1 102740314 KPVZORDIYQLQNN-UHFFFAOYSA-N 305.790 3.871 0 40 DHAB Cn1ccs/c1=N\C(=O)c1ccc(-c2ccc(Cl)cc2)o1 102915877 DVHDNMSFIHUXGL-ICFOKQHNSA-N 318.785 3.741 0 40 DHAB CC1(C)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C2=C(O)C1 102928719 SEEPNGFCRNRONX-HNNXBMFYSA-N 312.348 3.725 0 40 DHAB COc1ccc2[nH]cc(/C=C3\N=C(c4ccccc4)OC3=O)c2c1 215695971 PSKJGEYYORTQEC-MFOYZWKCSA-N 318.332 3.521 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)CCc2ccccc2F)c1 224047074 HYKOHDSXCDKHDG-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB CCc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)cc1 225042451 IQKXIBOXNVRSIP-MRXNPFEDSA-N 304.773 3.977 0 40 DHAB Cc1ccc(N(C)CCCNC(=O)c2cc(C)ccc2C)cc1 225054117 IWBDCOHJOWHLQP-UHFFFAOYSA-N 310.441 3.868 0 40 DHAB COc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225859449 DLBQHWAKDRHVTF-UHFFFAOYSA-N 310.397 3.849 0 40 DHAB FC(F)(F)Oc1cc(Br)cc2[nH]c(Cl)nc12 258833804 LYNQNAXFUUPPGL-UHFFFAOYSA-N 315.476 3.877 0 40 DHAB CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)C1CC=CC1 585131079 KTIYBYWWAOVTTQ-UHFFFAOYSA-N 323.318 3.506 0 40 DHAB Cc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Nc2ncnn21 222998 FAEPNAPTSCFVQQ-DLBZAZTESA-N 308.360 3.872 0 40 DHAB CCC(CC)C(=O)Nc1ccc(I)cc1 361845 XZKFJPBVYOMUGH-UHFFFAOYSA-N 317.170 3.666 0 40 DHAB CCC(=O)c1cc(Br)cc(Br)c1O 494906 SZHDDFCJUTYETK-UHFFFAOYSA-N 307.969 3.510 0 40 DHAB Cc1[nH]c2ccccc2c1[C@H](CC(=O)c1ccccc1)C(=O)O 509368 JJNKYPAILBWIEK-HNNXBMFYSA-N 307.349 3.918 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 550366 AJJJCGQWOMMBQW-UHFFFAOYSA-N 320.179 3.800 0 40 DHAB O=C(O)CSc1ccc(NC(=O)Nc2ccccc2F)cc1 1726736 HGYXQIBAZRLLNP-UHFFFAOYSA-N 320.345 3.646 0 40 DHAB Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)c(C)c1 3635903 YHBAVZFXXPGNOE-OAHLLOKOSA-N 312.394 3.941 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](C(=O)O)[C@@H]2C[C@H](O)c1ccccc1 3846208 DYCAJMGMLIVAOG-XZLOLGPPSA-N 302.414 3.883 0 40 DHAB CCCCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4223273 AAZQZLUNELVXNZ-UHFFFAOYSA-N 301.415 3.748 0 40 DHAB COc1cc(SC)ccc1C(=O)Nc1cc(F)ccc1F 5677185 WBDMHNGGSPKFKY-UHFFFAOYSA-N 309.337 3.948 0 40 DHAB CCCn1ccnc1SCC(=O)Nc1ccc2c(c1)CCC2 6589378 MKYMPSMAJXUJNX-UHFFFAOYSA-N 315.442 3.513 0 40 DHAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)C(F)(F)F 7387534 NGWWHOAVWKGXMR-UHFFFAOYSA-N 321.258 3.699 0 40 DHAB COc1ccc(NC(=O)C2(c3ccccc3)CCC2)c(OC)c1 8114481 FGZOYRNPDSXJTC-UHFFFAOYSA-N 311.381 3.764 0 40 DHAB Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)no1 8389868 AGRXGBISQDSYGB-UHFFFAOYSA-N 319.792 3.879 0 40 DHAB COc1ccccc1[C@@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21 9110460 DMYXDUJDPBOQAZ-AWEZNQCLSA-N 319.364 3.559 0 40 DHAB COc1ccc([C@H]2NC(=S)NC3=C2CCc2ccccc23)cc1 9332644 DTDOZOPXRLNIGS-QGZVFWFLSA-N 322.433 3.572 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1 11636866 KHMAOQDOBJACFB-MRXNPFEDSA-N 303.333 3.630 0 40 DHAB CC(C)c1ccc(OCC(=O)Nc2onc3c2CCCC3)cc1 11914325 COMIMRSQAVKEOZ-UHFFFAOYSA-N 314.385 3.694 0 40 DHAB Cc1cccc(CNC(=O)c2ccc(F)cc2Br)c1 13012385 KNKHNQQBCWCWFV-UHFFFAOYSA-N 322.177 3.827 0 40 DHAB CCN(CC)c1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)o1 13752002 CCIPNZUEBQZXPS-XFXZXTDPSA-N 308.403 3.571 0 40 DHAB NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 14125402 CGFPIRISCSEOOZ-UHFFFAOYSA-N 300.408 3.688 0 40 DHAB CCc1ccc([C@H]2SCC(=O)N2c2ncc(C)s2)cc1 19927013 VPSBJBVEECDZMG-CQSZACIVSA-N 304.440 3.793 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)c(Cl)c1 20139407 DXQSPZJVQATVAZ-UHFFFAOYSA-N 303.745 3.528 0 40 DHAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccccc1 20453737 PQQYTCAYSRZJKX-KBXCAEBGSA-N 313.397 3.730 0 40 DHAB CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 26295956 NCVPGPFCMOECBL-KBPBESRZSA-N 314.351 3.949 0 40 DHAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(C(F)(F)F)cc1 26774996 OBFFPUKFOVYVRB-ZETCQYMHSA-N 316.714 3.904 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1Cl 27394975 KRIUKZNUFJLJSF-UHFFFAOYSA-N 310.825 3.807 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)n1 27663351 MHIUMCILUZRGAZ-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB Cc1ccc2[nH]c(SCc3noc(C(C)(C)C)n3)nc2c1 28008548 MYNYTJGDOIXEPY-UHFFFAOYSA-N 302.403 3.844 0 40 DHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1c(F)cccc1F 28255062 QRYHSSNFXKODPN-UHFFFAOYSA-N 313.206 3.539 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)NCc2cccs2)cc1Cl 28907613 NKESWXGSFNGSTL-NSHDSACASA-N 308.834 3.827 0 40 DHAB CCCCC(=O)NC(=S)Nc1cccc2cc(O)ccc12 33734200 GTKUEWIZVHUVQG-UHFFFAOYSA-N 302.399 3.549 0 40 DHAB Cc1ccccc1CN(C)C(=O)CCC(=O)c1cccs1 45674427 BXAGKXZWJDECPE-UHFFFAOYSA-N 301.411 3.678 0 40 DHAB O=C(CCCc1cccs1)Nc1ccccc1-n1ccnc1 45860115 IVMJCFFDSWXZCJ-UHFFFAOYSA-N 311.410 3.895 0 40 DHAB CCN1CCC[C@@H]1CNC(=S)Nc1cccc2ccccc12 48225100 LIVXXRDCVOXLJO-OAHLLOKOSA-N 313.470 3.611 0 40 DHAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C)c2cccnc2)c1 48242122 MTARYGDOUJFTKF-CHWSQXEVSA-N 318.804 3.688 0 40 DHAB CSc1ccc(CN(C)[C@H](C)C(=O)N2CCCCCC2)cc1 48272956 IIGOVRHAXHLWSV-OAHLLOKOSA-N 320.502 3.631 0 40 DHAB CN(C(=O)NCc1cccc2cccnc12)C(C1CC1)C1CC1 51300152 LUUUYCGOCLZMHW-UHFFFAOYSA-N 309.413 3.565 0 40 DHAB CCN(Cc1cccc(F)c1)Cc1cn2c(C)cc(C)nc2n1 58132646 BXQGUFKFGGZGMS-UHFFFAOYSA-N 312.392 3.507 0 40 DHAB COc1ccccc1-c1c[nH]cc1C(=O)NCCc1ccccc1 69493615 ZOYORCJEAWJWIV-UHFFFAOYSA-N 320.392 3.663 0 40 DHAB CN(C(=O)C1CCCC1)[C@@H](c1cccc(F)c1)c1ccccn1 69619243 GYQCSQFOZVCMMP-SFHVURJKSA-N 312.388 3.959 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@H]1C[C@@H]1c1cccc(F)c1 69751286 ACZJFHCHKAIFIY-CABCVRRESA-N 316.401 3.580 0 40 DHAB Cc1nccn1-c1cccc(C2CCN(C3CCCC3)CC2)n1 72379138 XPPJFTAANPYHHF-UHFFFAOYSA-N 310.445 3.698 0 40 DHAB CC(C)(C)OC(=O)N1CCCN(C(=O)C2CC2)c2ccccc21 76023057 YQLTWNONHICVCF-UHFFFAOYSA-N 316.401 3.575 0 40 DHAB COC(=O)[C@H](CC(C)C)c1[nH]c2ccc(Cl)cc2c1CCN 77024451 KTQKKWAVSTUTAU-CQSZACIVSA-N 322.836 3.625 0 40 DHAB O=C(C[C@@H]1CCCCCN1C(=O)c1cccs1)c1ccco1 79103362 ONFXCITWQYOQLD-ZDUSSCGKSA-N 317.410 3.999 0 40 DHAB C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)c2ccccc21 80082500 HCPBFOUKIOORGR-CYBMUJFWSA-N 303.365 3.841 0 40 DHAB CCc1cnc(CN(C)C(=O)[C@H]2CCCc3ccccc32)s1 81081438 YRJAOKQUBGLZRG-INIZCTEOSA-N 314.454 3.784 0 40 DHAB c1ccc2nc(NCCNc3nc4ccccc4s3)cnc2c1 84605642 NOHQBMWILJIIPB-UHFFFAOYSA-N 321.409 3.764 0 40 DHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)C1CCC(F)(F)CC1 89486596 JGRDTNZCCAXFEX-UHFFFAOYSA-N 319.355 3.518 0 40 DHAB C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(F)c1 89895098 IWRPQVUZQDEKRC-MFKMUULPSA-N 308.378 3.521 0 40 DHAB CCNC(=O)N1CCC(N[C@H](c2ccccc2)C(C)(C)C)CC1 95462777 DOQCOFOJZZPCAS-QGZVFWFLSA-N 317.477 3.557 0 40 DHAB COc1ccc(C(=O)CC2(CC(=O)O)CCCCC2)cc1F 95634304 WKBBHCGTQQRRTR-UHFFFAOYSA-N 308.349 3.832 0 40 DHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccncc1 96117525 JOHOANJALAIGRY-MRXNPFEDSA-N 309.344 3.509 0 40 DHAB Cc1cc(-c2nnc(CN(C)[C@H]3CCCC[C@@H]3C)o2)c(C)o1 97103347 NPLHIJKKNIZWBC-NHYWBVRUSA-N 303.406 3.957 0 40 DHAB CC(=O)c1oc2ccccc2c1NC(=O)Cc1csc(C)n1 154050441 QEPYAMNVAGYQHA-UHFFFAOYSA-N 314.366 3.582 0 40 DHAB Cc1ccccc1[C@H]1CCN(C(=O)c2cnoc2C)CCS1 219291529 DNGRJAJFONELHN-MRXNPFEDSA-N 316.426 3.612 0 40 DHAB Cc1ccc(N(C)CCNC(=O)c2ccc(C)cc2Cl)cc1 225005361 BFKPCMFGBOUEBX-UHFFFAOYSA-N 316.832 3.823 0 40 DHAB Cc1cccc(OCC(=O)Nc2c(C)cc(N)cc2Cl)c1C 227145173 NJOPQLJMRCLOEO-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Cc1ccc(NCc2ccc(-c3ccccc3C(=O)O)cn2)nc1 257216543 CUZHHLBPMKQTCL-UHFFFAOYSA-N 319.364 3.762 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@H](c4cnccn4)C3)ccc2o1 257314455 UXBSQQKFMCVASR-HNNXBMFYSA-N 321.380 3.551 0 40 DHAB CC(C)Oc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260658766 HQYIMISSIYTOJJ-XEZPLFJOSA-N 304.459 3.949 0 40 DHAB Cc1nc2cc(NC(=O)Nc3ccc(N(C)C)cc3)ccc2n1C 409149196 YYVJYQNAAYPZSK-UHFFFAOYSA-N 323.400 3.592 0 40 DHAB O=C(Nc1cc(O)cc(C(=O)O)c1)Nc1ccc2ccccc2c1 1775953445 XGNNCRZDDAJBFU-UHFFFAOYSA-N 322.320 3.888 0 40 DHAB COC1(CNc2ncnc3ccc(Cl)cc23)CCSCC1 1776001769 KPLJFLWJLVLJQD-UHFFFAOYSA-N 323.849 3.607 0 40 DHAB Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1 263649 VACSOQUKVMRZNR-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB COc1ccc(OC)c(NC(=O)Cc2c(F)cccc2Cl)c1 367288 QDIVMMKYCSXVSY-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB Cc1ccc(CSc2nnc(-c3ccccc3C)n2N)cc1C 533309 YGVRSRYRBXNVPN-UHFFFAOYSA-N 324.453 3.876 0 40 DHAB COC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)OC)ccc1-2 1665407 YLGBNQBURVBZMA-UHFFFAOYSA-N 312.325 3.614 0 40 DHAB COCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 1795632 CJKWFKWZBOFGRR-UHFFFAOYSA-N 300.427 3.805 0 40 DHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCC(C)CC1 2694418 ZGDNITHMLAZCBL-SJORKVTESA-N 305.462 3.672 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 2764783 NJXIIRNIYDRDJW-BEFAXECRSA-N 309.409 3.956 0 40 DHAB COc1ccc2nc(SCc3ccc(C(=O)O)cc3)[nH]c2c1 3848073 IEQJLSGPTIUFRS-UHFFFAOYSA-N 314.366 3.562 0 40 DHAB Cc1cc(C)c2cc(CNCc3ccc(F)cc3)c(=O)[nH]c2c1 4132774 QSIQLRYPUWDAAY-UHFFFAOYSA-N 310.372 3.574 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 5693983 VWULPBWPHNZFED-PXAZEXFGSA-N 306.361 3.640 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc3ccccc3n2)c1 6852530 RUTIUNRHFHRWMJ-UHFFFAOYSA-N 320.348 3.582 0 40 DHAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]2CCCC[C@H]21 7200551 ZRDNPSDUUPCZLR-NVXWUHKLSA-N 311.429 3.526 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1F 8259549 BXFIGXDYRYEIRP-UHFFFAOYSA-N 315.344 3.546 0 40 DHAB C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c[nH]nc12 8615306 NLDGHLGLNVFXFH-BGZMIMFDSA-N 312.457 3.747 0 40 DHAB COC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 9135395 KBRHQUAXCCDIKP-UHFFFAOYSA-N 312.325 3.556 0 40 DHAB CSc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 12694571 PVFQLIXRAWQUEW-UHFFFAOYSA-N 312.394 3.546 0 40 DHAB O=C(NCC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 12699692 SDVRTWLTLUBXLW-UHFFFAOYSA-N 323.179 3.998 0 40 DHAB O=C(CSc1nc(O)c2sccc2n1)c1ccc(F)cc1 12915875 HHEDYCCUJLBNEF-UHFFFAOYSA-N 320.370 3.511 0 40 DHAB C[C@H](NC(=O)CN1CCC[C@@H]1c1ccccc1)c1ccccc1 12924739 CPFFPUOUXLYVBL-QFBILLFUSA-N 308.425 3.701 0 40 DHAB Cc1ccc(-c2nnc3ccc(Nc4ccc(F)cc4)nn23)cc1 13630034 WNAVCRZMXDFSMR-UHFFFAOYSA-N 319.343 3.982 0 40 DHAB CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CCC2 17242023 BRRKIHWZMPXZNB-UHFFFAOYSA-N 314.410 3.756 0 40 DHAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccncc2)cc1 20956092 WLJJRFMBEICARW-UHFFFAOYSA-N 323.352 3.518 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 23530219 NOTPDESUEFKEJY-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB C[C@@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 24263183 OFXMPMDHQPPXEK-UHUXCJHTSA-N 301.430 3.633 0 40 DHAB CN1CCN(C2=Nc3c(Cl)cc(Cl)c4cccc2c34)CC1 25336728 YHQNNNRQZPECDU-UHFFFAOYSA-N 320.223 3.786 0 40 DHAB COc1ccc2cc(CNc3nn4cc(C)nc4s3)ccc2c1 26700241 QHWFUYKFCKOGTQ-UHFFFAOYSA-N 324.409 3.873 0 40 DHAB Cc1c(C(=O)Nc2ccc3c(c2)CCC3)[nH]c2c1C(=O)CCC2 29357199 OLFQOCDKMHZCRW-UHFFFAOYSA-N 308.381 3.583 0 40 DHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccco1 30276261 RZXIVAUNXCQDNV-JTQLQIEISA-N 310.756 3.531 0 40 DHAB COc1cccc(C(=O)Nc2cccc(Oc3ncccn3)c2)c1 32027793 AUVWQXKNRZRWED-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1cccc(Oc2cnccn2)c1 33136220 CPEZNHGZSYWRGW-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB CCOC(=O)c1sc(NC(=O)c2ccccc2C)cc1C 35151853 FAOYKEQLUCTHKV-UHFFFAOYSA-N 303.383 3.794 0 40 DHAB CNCc1ccccc1OCc1ccc(Br)cc1F 37702489 UUBCGRBTGAGJKC-UHFFFAOYSA-N 324.193 3.887 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CCOc2ccccc2Cl)o1 40087836 DUKRYDRQUNOUPP-GFCCVEGCSA-N 307.777 3.888 0 40 DHAB CC(C)CC(=O)NCCc1ccc(OCc2ccccc2)cc1 40122126 LDKWIEOUOVTIIN-UHFFFAOYSA-N 311.425 3.970 0 40 DHAB COC(=O)c1cc(N)ccc1Nc1cccc(Br)c1 41081558 GHZFDILXAWHZLD-UHFFFAOYSA-N 321.174 3.562 0 40 DHAB Cc1nnc([C@@H](C)Sc2nc3ccccc3n2C(F)F)o1 48188795 GSIISEZKKVJFPC-SSDOTTSWSA-N 310.329 3.976 0 40 DHAB CCCc1nnc([C@H]2CCN(Cc3cnc4ccccc4c3)C2)o1 49170275 PIKNWHNJLJJNPO-INIZCTEOSA-N 322.412 3.560 0 40 DHAB biogenic,in-vitro COc1nc2ccccc2cc1-c1noc(-c2ccccc2)n1 50617631 ZIWZBKMCMFYMTE-UHFFFAOYSA-N 303.321 3.960 0 40 DHAB CCN(Cc1cccs1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 57446501 VRKRHKMLJVZFRX-GFCCVEGCSA-N 313.426 3.568 0 40 DHAB Cc1noc2ncc(C(=O)N(C)C3CCCCCCC3)cc12 58341945 FIFUNYONTCHMIK-UHFFFAOYSA-N 301.390 3.716 0 40 DHAB Fc1ccc(-c2cc3c(N4CCCCCC4)nccn3n2)cc1 67284978 IFYPACBLKTXLBN-UHFFFAOYSA-N 310.376 3.916 0 40 DHAB CC(C)c1cnc(-c2ccc(NC(=O)[C@H]3CCCO3)cc2)o1 71909704 XXVGSJAFHGDJBQ-CQSZACIVSA-N 300.358 3.583 0 40 DHAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2)n1 72376718 DKBPPNSVQHKJEC-CYBMUJFWSA-N 322.334 3.559 0 40 DHAB COc1ccccc1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72403731 QLHNKFGWTVQMEY-AWEZNQCLSA-N 323.352 3.657 0 40 DHAB CN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 89375148 CSMYIWLVWJTCFC-IRXDYDNUSA-N 314.816 3.515 0 40 DHAB CC(=O)c1cc(C(=O)O[C@H](CC(C)C)c2ccccn2)n(C)c1 89821051 RXPTWPHDBXNOCP-QGZVFWFLSA-N 314.385 3.567 0 40 DHAB C[C@@H](NCc1nnc2ccccn12)c1cccc2ccccc12 95948605 FGWBYKYMVSQFTL-CQSZACIVSA-N 302.381 3.733 0 40 DHAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2)c1 216898200 PSUIDSXEHILBFH-UXBLZVDNSA-N 316.328 3.600 0 40 DHAB Cc1cccc(CCCNC(=O)COc2cc(C)ccc2C)c1 218950463 JXTQBHDDZWCSHY-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB COc1cccc2c1CCC[C@H]2c1c(O)c2ccccc2oc1=O 220499594 YHPIKLLGAFQUIZ-CQSZACIVSA-N 322.360 3.975 0 40 DHAB COc1ccccc1Nc1ccc(N)cc1C(=O)OC(C)C 225477582 GYKQIXAXVFCBDK-UHFFFAOYSA-N 300.358 3.586 0 40 DHAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc2c(c1)OCO2 225752968 GVLHNLDCYZINMH-LBPRGKRZSA-N 314.410 3.771 0 40 DHAB C[C@H](O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 226273079 KGTFUYKPCYKJFI-JTQLQIEISA-N 320.186 3.755 0 40 DHAB Cc1ccc(-c2ccc(C(=O)Nc3cc(C)n(C)n3)c(C)n2)cc1 257173486 OTCVASHVGFDKNT-UHFFFAOYSA-N 320.396 3.660 0 40 DHAB CC(C)[C@H]1O[C@H]2c3cccc(F)c3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257317256 VJAFFOZMHAGJSX-GBOPCIDUSA-N 322.376 3.800 0 40 DHAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cccc(F)c1 408530826 RRRODQQWMHCGPR-UHFFFAOYSA-N 312.275 3.641 0 40 DHAB CCC[C@]1(CO)CCN(Cc2csc(-c3ccccc3)n2)C1 585083940 PIPRHKGSFOJZBF-SFHVURJKSA-N 316.470 3.795 0 40 DHAB CC(C)(C)OC(=O)Cc1nc(Cl)nc2cccc(Cl)c12 888084626 LQLHVRLEPGHFTD-UHFFFAOYSA-N 313.184 3.821 0 40 DHAB CCCCNc1ccc(C(=O)OCCNC2CCCCC2)cc1 1710561 CKMKAFPCRJZBNU-UHFFFAOYSA-N 318.461 3.978 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1 2726542 PPANFAYTFMOTNW-UHFFFAOYSA-N 318.423 3.714 0 40 DHAB CCCCc1ccc(NC(=O)COC(=O)CC(C)(C)C)cc1 3226096 AGLOZAASZAWMKN-UHFFFAOYSA-N 305.418 3.947 0 40 DHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(Cl)c1 3385789 ALBZOMRXUQIRHD-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)CSc2nncs2)cc1 3413424 XUXUYKPIKQZXKD-JTQLQIEISA-N 307.444 3.782 0 40 DHAB COc1ccc(C(=O)c2c(N)sc3c2CC[C@@H](C)C3)cc1 3434683 ANWFOIFNQMQTJN-SNVBAGLBSA-N 301.411 3.695 0 40 DHAB C[C@@H](C(=O)Nc1cccc(Oc2ccccc2)c1)N1CCCC1 3454010 PBXATMRCJGMAKB-HNNXBMFYSA-N 310.397 3.902 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 4276197 VAUOPQIEODPVCY-UHFFFAOYSA-N 323.352 3.776 0 40 DHAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccn3)C2=O)cc1 4675575 NFRXGZSBYQBUKD-GDNBJRDFSA-N 310.378 3.627 0 40 DHAB CCCCCC[C@@H](CC(=O)NCCCN(C)C)c1ccco1 5347693 GWSUOLBPMUEULM-INIZCTEOSA-N 308.466 3.792 0 40 DHAB Cn1ccnc1SCC(=O)c1ccc(Cl)cc1Cl 5635110 UWVWQZRSCMVWNB-UHFFFAOYSA-N 301.198 3.702 0 40 DHAB C[C@@H](C(=O)O)c1nc(-c2ccc(Br)cc2)cs1 6037202 JGQKYWPSFPCKLW-SSDOTTSWSA-N 312.188 3.761 0 40 DHAB in-man COc1ccccc1OCCC(=O)Nc1ccccc1Cl 6083431 PLOKETUPRJLGTI-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB Cc1cc(C)nc(SCc2cc3c(cc2Cl)OCO3)n1 6796872 YUSKYVFWWODVIO-UHFFFAOYSA-N 308.790 3.768 0 40 DHAB O=C(Nc1nc2c(s1)CCCC2)c1cc(Cl)ccc1O 6967139 VKEPDAKQPOMUJW-UHFFFAOYSA-N 308.790 3.633 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccs2)cc1 7375784 PUPNJSSNPJOWRE-QWHCGFSZSA-N 302.443 3.988 0 40 DHAB COC(=O)c1ccc(CN2CC=C(c3ccccc3)CC2)cc1 7456796 FRIAHPIPCJTPCE-UHFFFAOYSA-N 307.393 3.763 0 40 DHAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(Cl)cc2Cl)C1 7811657 GEYBUZJLFQNYDK-PHIMTYICSA-N 315.244 3.910 0 40 DHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCC1CCCCC1 8278281 YDXROIRZIKIAED-UHFFFAOYSA-N 322.836 3.674 0 40 DHAB CCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1 9141378 BCAIQIRLWOCGIN-UHFFFAOYSA-N 322.412 3.968 0 40 DHAB O=C(NCCc1nc2ccccc2[nH]1)c1csc2ccccc12 9337915 YBVKSRRPHNKSHP-UHFFFAOYSA-N 321.405 3.750 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2cccs2)c(F)c1 9446094 HXVHSEWJGGINEH-LBPRGKRZSA-N 306.406 3.827 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(OC)cc2)cc1 10977911 TWSOOFJELFTWMX-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB CC(C)c1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 12169960 SHFCKFJTPRMDBZ-SOLBZPMBSA-N 305.462 3.528 0 40 DHAB Cc1cccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)c1 12484505 VHGXCKSMHQNBME-UHFFFAOYSA-N 309.369 3.669 0 40 DHAB Cc1ccc2c(CC(=O)NCc3ccc(C)n3C)coc2c1C 12908611 VKGMDFBUZRECFL-UHFFFAOYSA-N 310.397 3.555 0 40 DHAB O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NC1CC1 12982521 JVPLEECHTSCIKO-UHFFFAOYSA-N 314.429 3.878 0 40 DHAB Cc1cccc(OCC(=O)Nc2cc(-c3ccccc3)no2)c1 13626228 AFQVFKXAMHQIPR-UHFFFAOYSA-N 308.337 3.668 0 40 DHAB Fc1ccc(-c2c[n+](CCc3ccccc3)c3n2CCC3)cc1 13787192 XJASGQBSBOTLOV-UHFFFAOYSA-N 307.392 3.771 0 40 DHAB CCOc1ccc(NC(=O)COc2ccccc2)c2cccnc12 15840752 BUAHRLRRZHGSSQ-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3F)cc2)n1 15976780 CMDKRDBVDHBKLH-UHFFFAOYSA-N 323.371 3.558 0 40 DHAB Cc1c(-c2nc(N)nc(Nc3ccccc3)n2)oc2ccccc12 17015026 WNOJMYQYKBXNCP-UHFFFAOYSA-N 317.352 3.919 0 40 DHAB CC[C@H](c1ccccc1)c1nn2c(=O)c3ccccc3nc2s1 17055809 ANDGSQBGIIHTHC-CYBMUJFWSA-N 321.405 3.846 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1)c1ccco1 22260283 AHZNTYZRVAFFFF-KRWDZBQOSA-N 317.348 3.675 0 40 DHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1 22577945 WJZIRQZJRLDBMP-UHFFFAOYSA-N 318.323 3.812 0 40 DHAB c1ccc2c(c1)CCN2CCCNc1ncnc2sccc12 26774791 HKSOUPPRXNHSKL-UHFFFAOYSA-N 310.426 3.556 0 40 DHAB Cn1ccnc1[C@@H](NCc1ccc(Cl)cc1)c1ccccc1 30643014 KDAHJPBBYZCYMH-KRWDZBQOSA-N 311.816 3.953 0 40 DHAB CCOc1cc(OCC)c(C(=O)CC)cc1Br 30769112 NCNYIASCZMWRAR-UHFFFAOYSA-N 301.180 3.839 0 40 DHAB COc1cc2c(cc1/C=C1/C(=O)Nc3ccccc31)O[C@H](C)C2 32674134 CPCVFMIVKWTNJT-OXFWXOROSA-N 307.349 3.511 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)c2ccc3nc(C)c(C)nc3c2)o1 39981944 DAVLQGGTSWMCCY-CYBMUJFWSA-N 309.369 3.639 0 40 DHAB O=C(NCCSC1CCCC1)c1ccc2ccccc2n1 40082514 VANNXKQSSARUFF-UHFFFAOYSA-N 300.427 3.640 0 40 DHAB O=C(NCc1ccccn1)Nc1cccnc1Oc1ccccc1 40540932 POJUBVLVXNCETH-UHFFFAOYSA-N 320.352 3.591 0 40 DHAB CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 41123664 VWJJONLBRBCKMS-WCQYABFASA-N 317.389 3.504 0 40 DHAB O=C(Cc1ccccc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 44891274 APPAMIBVISBHAY-QGZVFWFLSA-N 321.380 3.596 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OC 51354084 PAUMZSOTGXCVBM-UHFFFAOYSA-N 308.284 3.626 0 40 DHAB CCN1CCN(C(=O)c2sc3cc(C)ccc3c2Cl)CC1 55080800 WVUHIDCNUGQPDD-UHFFFAOYSA-N 322.861 3.641 0 40 DHAB CC[C@@H](C)C(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 58208807 DQPSXXLOXFKUOY-SNVBAGLBSA-N 307.344 3.503 0 40 DHAB O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCCCC1 58326508 PSDDHHFONWRMEI-ZIAGYGMSSA-N 308.219 3.565 0 40 DHAB Cc1ccc([C@H](C)N(C)C(=O)NCc2c(C)noc2C)cc1 67761116 FSOJXQHOLDQSON-ZDUSSCGKSA-N 301.390 3.502 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](c3ccccc3C)C2)c1C 69582047 WCTFYSSBJWEQRP-MRXNPFEDSA-N 324.424 3.772 0 40 DHAB Cc1c(C(=O)N(c2ccccc2)C(C)C)cnn1-c1ccccn1 71819352 VUOWHGZKDZYOBF-UHFFFAOYSA-N 320.396 3.631 0 40 DHAB C[C@H](OC(=O)c1cc2c(s1)CCC2)c1ccc2c(c1)OCO2 71825167 LHRGSLYILLRHPB-JTQLQIEISA-N 316.378 3.884 0 40 DHAB CCN(CC)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72212893 NHCDBCAYXFLACM-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2cccs2)n1 72355428 BNWAUIWOIKFTPW-QGZVFWFLSA-N 324.453 3.974 0 40 DHAB Cc1ncc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)s1 78182257 JDYYOXWRIYUKAL-GXTWGEPZSA-N 300.427 3.778 0 40 DHAB CSc1nc(C(=O)OCc2ccc(F)cc2)c2ccccn12 83993131 XZWAAEKKFCFHKM-UHFFFAOYSA-N 316.357 3.552 0 40 DHAB COc1ccc(C)c(NC(=O)N[C@H]2CCOC3(CCCC3)C2)c1 89646756 PSXFNSPEJPALLW-AWEZNQCLSA-N 318.417 3.617 0 40 DHAB Cc1nc(C)n(-c2ccccc2NC(=O)c2cscc2C)n1 95418797 YBIOBYBONANLOU-UHFFFAOYSA-N 312.398 3.506 0 40 DHAB CO[C@H](C)c1nc(CN2CCCOc3ccc(C)cc32)cs1 95459741 SMSCIBONGQRMTO-CYBMUJFWSA-N 318.442 3.948 0 40 DHAB C[C@H](CNC(=O)c1cc2c(s1)CCCC2)c1nccs1 96014024 UNQUMIDBDYTGSP-SNVBAGLBSA-N 306.456 3.617 0 40 DHAB CCCC[C@H](CC)CC(=O)N1CCC(c2noc(C)n2)CC1 96409208 HQTCGZFEAURGNK-AWEZNQCLSA-N 307.438 3.691 0 40 DHAB C[C@@H](NCc1cccc(COC2CCCC2)c1)c1cnn(C)c1 96477437 SNPDWHCRRCDKCJ-OAHLLOKOSA-N 313.445 3.730 0 40 DHAB CC[C@H](N[C@@H](C)c1cc(OC)ccc1OC)c1ccncc1 96478333 UEZIAWQSUQRXAG-GUYCJALGSA-N 300.402 3.901 0 40 DHAB CCNCc1ccccc1NC(=O)c1cc(F)c(C)cc1F 96482515 RGZIUZJBQSHLFL-UHFFFAOYSA-N 304.340 3.635 0 40 DHAB CCC[C@H](C)NC(=S)Nc1cccc(C(=O)OCC)c1C 225382997 JRZPRLRWXMKSKL-NSHDSACASA-N 308.447 3.647 0 40 DHAB CC[C@@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(C)cc1 225486606 YHWLHCHXJDSSPG-OAHLLOKOSA-N 315.442 3.836 0 40 DHAB COc1cccc(NC(=O)c2snnc2-c2cccs2)c1 225788890 VCDNPGFKYVRDJL-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB CCC[C@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225809468 FBRIEUPSDVPCCL-NSHDSACASA-N 321.808 3.627 0 40 DHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC2(CC1)CC2(F)F 650601767 YWVCFJDLFNWXCP-UHFFFAOYSA-N 316.351 3.739 0 40 DHAB CCC(=O)Nc1ccc(-c2csc(NC(=O)CC)n2)cc1 179433 GTJNGNVSHNRDCT-UHFFFAOYSA-N 303.387 3.507 0 40 DHAB Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 503740 XYPQUWRVEBRFOQ-UHFFFAOYSA-N 314.392 3.982 0 40 DHAB CCOC(=O)C(C(=O)OCC)C1c2ccccc2-c2ccccc21 1631233 ZXUJOWGOAYXFAA-UHFFFAOYSA-N 324.376 3.541 0 40 DHAB COC(=O)c1c2c(cc3c1CC1(Cc4ccccc4C1)C3)CCC2 1646192 QOAOFURYUODFOU-UHFFFAOYSA-N 318.416 3.846 0 40 DHAB CCCCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21 2420030 FHBULQOSMUGYEW-UHFFFAOYSA-N 320.392 3.818 0 40 DHAB Cc1cccc(NC(=O)CN(C)Cc2cccc(F)c2)c1C 3323138 JKLQSXDQSOUSLL-UHFFFAOYSA-N 300.377 3.513 0 40 DHAB O=C(O)Cc1c(Br)oc2ccc3ccccc3c12 4137172 VYAVMNAWFJNHMF-UHFFFAOYSA-N 305.127 3.976 0 40 DHAB Cc1ccc(NC(=O)c2ccccc2C(=O)N2CCCCC2)cc1 4577112 VFTIZLGIKMFCSE-UHFFFAOYSA-N 322.408 3.873 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C2(C)CC2)cc1 4618720 SWXLRXDCZWUUGI-UHFFFAOYSA-N 301.411 3.847 0 40 DHAB Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CCCC[C@@H]2C)c1C 7001476 JJYYMWPJODJYLK-BMGDILEWSA-N 305.462 3.520 0 40 DHAB Cc1noc(C)c1COC(=O)c1cc2c(s1)CCCCC2 7651439 KFQNPEDMDOMIDO-UHFFFAOYSA-N 305.399 3.979 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 9367390 TWCMYQIIFFNSAX-BXKDBHETSA-N 315.373 3.796 0 40 DHAB COc1ccc(C(=O)c2oc3ccc(NC(C)=O)cc3c2C)cc1 9420122 NALLTXPIYMWPSW-UHFFFAOYSA-N 323.348 3.939 0 40 DHAB biogenic Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 10448348 XVVWMGCJLPIPIK-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB O=Cc1nc2ccccc2n1CCCOc1ccccc1Cl 11735054 BSOFTYGOFFXRCW-UHFFFAOYSA-N 314.772 3.971 0 40 DHAB Cc1ccc(NC(=O)CCc2cccnc2)cc1C(F)(F)F 12788381 MHESVIGQBOZDLL-UHFFFAOYSA-N 308.303 3.980 0 40 DHAB COc1cccc(CNC(=O)c2csc3c2CCCC3)c1 12821236 WBOLSASKMZZFLT-UHFFFAOYSA-N 301.411 3.566 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1ccc(F)cc1)O[C@@H](C)C2 12927246 CVROPFHKAWMWOY-NSHDSACASA-N 315.344 3.800 0 40 DHAB O=C(Nc1cccc(F)c1)c1nn(-c2ccccc2)c2c1CCC2 12993488 UMBQYDKODCKWAQ-UHFFFAOYSA-N 321.355 3.752 0 40 DHAB CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@@H]1OC[C@@H](CN2CCCCC2)O1 13656093 IUQYLYYXKZJRJM-YYWYGQEZSA-N 307.478 3.676 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1cccs1 14116632 HSNJTAQTXNGSNO-NSHDSACASA-N 309.818 3.528 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc3nc(C)sc3c2)cc1 14255269 UNQVXUZFRMBGER-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB CCC(CC)NC(=O)c1csc(-c2ccc(OC)cc2)n1 15554354 PWEWKTWKQZVLBT-UHFFFAOYSA-N 304.415 3.737 0 40 DHAB FC(F)(F)Sc1ccc(I)cc1 16158388 RIVGBAIATPAXKD-UHFFFAOYSA-N 304.074 3.903 0 40 DHAB Cc1cc2nc(NC(=O)c3cc(F)ccc3F)[nH]c2cc1C 16284165 PEELAOIONUNGAC-UHFFFAOYSA-N 301.296 3.710 0 40 DHAB Cc1c(Cl)cccc1Nc1nc(=O)c(-c2ccccc2)n[nH]1 16777467 TVHHUZQUWAADOT-UHFFFAOYSA-N 312.760 3.537 0 40 DHAB Cc1nn([C@H](C)CC(=O)Nc2ccnn2C(C)C)c(C)c1Cl 19577575 ACEBANZJXWQVKZ-SNVBAGLBSA-N 323.828 3.521 0 40 DHAB CCN(CC)CCN(Cc1ccc(C)o1)Cc1ccc(C)o1 19859159 FYQLONKHGDBXFJ-UHFFFAOYSA-N 304.434 3.833 0 40 DHAB COc1ccc(-c2cc(-c3ccccc3)nc3nc(C)nn23)cc1 20635815 UJIHIPYTAGMTCG-UHFFFAOYSA-N 316.364 3.775 0 40 DHAB COc1ccc(CCNCc2cc(Cl)ccc2OC)cc1 22076432 VDRMTXQTYKEALR-UHFFFAOYSA-N 305.805 3.690 0 40 DHAB Cc1nc(SCC(=O)Nc2cccc(F)c2)n(C2CC2)c1C 32894100 AOTOZKWJSLIIDB-UHFFFAOYSA-N 319.405 3.705 0 40 DHAB Cn1c(C(=O)N2CCc3sccc3C2)cc(Cl)c1Cl 32922855 QIMYKZRAZUAUEN-UHFFFAOYSA-N 315.225 3.592 0 40 DHAB C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(Cl)s1 33192572 SJYAQRYYDSHCKJ-VIFPVBQESA-N 320.801 3.963 0 40 DHAB Cc1ccc(C)c(NC(=O)COc2nc(C)nc3ccccc23)c1 33287276 RXGQEHHQVBBWIR-UHFFFAOYSA-N 321.380 3.573 0 40 DHAB O=C(CCc1ccco1)NCCC12CC3CC(CC(C3)C1)C2 36093698 WVFGUIIFAMACBO-UHFFFAOYSA-N 301.430 3.935 0 40 DHAB COc1cccc2cc(C(=O)N[C@H](C)Cc3cccs3)oc12 38565844 FQUADCMGEUUHAR-LLVKDONJSA-N 315.394 3.864 0 40 DHAB O=C(Cc1ccccc1)NCc1ccc(CN2CCCCC2)cc1 44873259 NMSSMVJVYUDBSU-UHFFFAOYSA-N 322.452 3.531 0 40 DHAB CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1cccc(C)c1 48326541 IBOBGBNMCGIYMT-RBUKOAKNSA-N 314.473 3.923 0 40 DHAB O=C(CNCc1ccccc1)Nc1cccc(Cl)c1Cl 57470394 FRSKJPVCUZGDOH-UHFFFAOYSA-N 309.196 3.722 0 40 DHAB Cc1cccc(NC(=O)CNCc2cccc(Cl)c2)c1C 58161145 VOPSGXYJMCVLSS-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB CCN(C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2)C(C)C 58174890 XSTPBJFLBBCCLM-UHFFFAOYSA-N 311.429 3.540 0 40 DHAB Cc1cccc(OCCCSc2nnc(C3CC3)n2C)c1 58378363 INOMPTBLICGLHD-UHFFFAOYSA-N 303.431 3.562 0 40 DHAB CC1(C)C=CN(c2ccc(Br)cc2F)C(=S)N1 59124469 RPFOSUSPBBJQLA-UHFFFAOYSA-N 315.211 3.575 0 40 DHAB Cc1cc(C)c(CNC(=O)N(C)Cc2cnc(C)s2)c(C)c1 63798838 UMPKDBXNJKFEIC-UHFFFAOYSA-N 317.458 3.718 0 40 DHAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccoc1 65806746 ICCHQGAPUCKBDU-UHFFFAOYSA-N 306.365 3.826 0 40 DHAB O=[S@](Cc1ccccc1)Cc1coc(-c2ccc(F)cc2)n1 69457402 ZJHQAHOTCRLVRR-QFIPXVFZSA-N 315.369 3.930 0 40 DHAB CO[C@@H]1CCCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 69464771 YRFCJXIOCXZKLF-LLVKDONJSA-N 316.373 3.644 0 40 DHAB Cn1c(CNC2(c3ccc(Cl)cc3)CCC2)nnc1C1CC1 69707667 MWKQDFIXEYZXHQ-UHFFFAOYSA-N 316.836 3.515 0 40 DHAB Cc1nc(CCC(=O)Nc2c(C)n[nH]c2C)oc1-c1ccccc1 71883223 QLTRDALDXSGYME-UHFFFAOYSA-N 324.384 3.561 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 72214664 KKONAWZIRIQULN-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccc(F)cc2)C1 72404333 HCWRECDLBYBXSY-AWEZNQCLSA-N 311.316 3.787 0 40 DHAB CCOC(=O)c1cc(N)cc2nc(-c3ccccc3Cl)oc12 73641970 OWPDCWBXUQFECQ-UHFFFAOYSA-N 316.744 3.907 0 40 DHAB c1csc(CN2CCC3(CC2)CCN(CC2CC2)CC3)c1 96047195 MTLKPNQOCYSWMK-UHFFFAOYSA-N 304.503 3.836 0 40 DHAB CCN1C(=O)CC2(CCN(Cc3ccco3)CC2)c2ccccc21 96080217 VGGXDPOMXKDDID-UHFFFAOYSA-N 324.424 3.570 0 40 DHAB O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC1 96406143 UPRSYQJGCIDYJA-UHFFFAOYSA-N 302.761 3.763 0 40 DHAB C[C@@H](OCCCN[C@H]1CCCc2c1cnn2C)c1ccccc1 96476444 QHTXLTLCMSNBFM-QAPCUYQASA-N 313.445 3.555 0 40 DHAB c1ccc(-c2cnc(COc3ccccc3-c3nc[nH]n3)o2)cc1 96484299 UMWOTDXAIFVTMT-UHFFFAOYSA-N 318.336 3.706 0 40 DHAB CCN1CCN(C(=O)c2scnc2C2CC2)c2ccccc21 96485497 XPRDSSMPBLLHLD-UHFFFAOYSA-N 313.426 3.507 0 40 DHAB Cc1ccc(-c2ccc(C(=O)O[C@H](C)c3nnc(C)o3)s2)o1 97081426 NFDVWXUCVMKYSF-SECBINFHSA-N 318.354 3.926 0 40 DHAB Cc1nc(-c2cccs2)ccc1C(=O)N(C)Cc1ccccn1 98100316 VSUFBHNCMXTVDT-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB C[C@H]1Cc2ccccc2N1CC(=O)N[C@H]1CCCc2ccccc21 102317871 LZEPETGAMYUUEE-KXBFYZLASA-N 320.436 3.631 0 40 DHAB CSc1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102956924 LUWOIMACUYDCNE-JENIJYKNSA-N 316.514 3.715 0 40 DHAB C[C@@H]1c2ccsc2CCN1C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 107327307 CDYQLXDRUQGLIE-OWTLIXCDSA-N 306.500 3.730 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 169619662 MSFKJQSFWWCTGC-PRIPBFSGSA-N 313.397 3.662 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cc1 195450496 CAYMUMXYCKEYEA-UHFFFAOYSA-N 307.440 3.542 0 40 DHAB COc1cc(C=O)ccc1OCCCN1[C@@H](C)CCC[C@H]1C 217791198 FAIPTXGOFBMLBZ-GASCZTMLSA-N 305.418 3.540 0 40 DHAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2)cc1C 223444625 OHISKMJCELQIOC-MRXNPFEDSA-N 317.454 3.792 0 40 DHAB CC(C)(C)OC(=O)NCCCc1nc(-c2cccnc2)cs1 225561102 ZQIXCXZZJVBFFA-UHFFFAOYSA-N 319.430 3.662 0 40 DHAB COc1cccc(N(C)C(=O)c2conc2-c2ccccc2)c1 225870085 RZHAWJJRLQQVLA-UHFFFAOYSA-N 308.337 3.627 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 226284949 IEBKKHDPMGLIDX-UHFFFAOYSA-N 300.324 3.592 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN(C(C)C)C(C)C 245228805 FVWVHROWEIKEIH-FCGDIQPGSA-N 313.526 3.944 0 40 DHAB Cc1cccc([C@]2(O)CCC[C@@H]3CN(Cc4ccncc4)C[C@H]32)c1 248119723 WZKXWNXCIGMSRI-HMXCVIKNSA-N 322.452 3.510 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 248333771 KLAVVVARGBVTEU-PPSVVTBLSA-N 323.521 3.557 0 40 DHAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1O 409114712 KYWOOZSBPYPSCL-YBEGLDIGSA-N 323.392 3.944 0 40 DHAB c1ccc(CO[C@H]2C[C@@H]3CN(Cc4cscn4)C[C@@H]3C2)cc1 1848354817 XBEQQCZRNQRFNA-VQFNDLOPSA-N 314.454 3.570 0 40 DHAB CCOc1ccc(/C=C/C(=O)N2CCCCCC2)cc1OCC 147560 MFZOPKGORKBVCE-ZRDIBKRKSA-N 317.429 3.900 0 40 DHAB Cc1cc2cccc(C)c2nc1SCC(=O)N1CCCCC1 420657 OEPAGTXXBWVKMW-UHFFFAOYSA-N 314.454 3.956 0 40 DHAB Cc1cc(C)c(OCC(=O)N2CCCc3ccccc32)c(C)c1 572246 XWGCPLDRZOJSGA-UHFFFAOYSA-N 309.409 3.970 0 40 DHAB CCN(CC)C(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21 817616 JUFCBFYTMVCFSP-UHFFFAOYSA-N 314.429 3.739 0 40 DHAB CC(=O)O[C@]12c3ccccc3[C@H]1CCCCCC21OCCCO1 1634651 MLMNSGWQZQFPCN-APWZRJJASA-N 316.397 3.640 0 40 DHAB COc1cc(NCCCC[C@H]2CCCCN2)c2ncccc2c1 1640926 LIYDEHVSOATNNT-MRXNPFEDSA-N 313.445 3.968 0 40 DHAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccco5)nc4c23)C1 2223654 MJECKCJCSOBWCR-SECBINFHSA-N 310.382 3.724 0 40 DHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(C(C)C)cc1 3387282 SZFUFKNGQBHDHZ-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB Cc1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)o1 3518538 FNVMIYVENUGCTG-UHFFFAOYSA-N 324.332 3.540 0 40 DHAB CC1CCC2(CC1)NC(=O)N(Cc1ccc(C(C)C)cc1)C2=O 4287834 PLGKUMQTGXJGKK-UHFFFAOYSA-N 314.429 3.811 0 40 DHAB Fc1ccccc1CSc1nncn1NCc1cccs1 4670776 LLYIVJLXGPSZHZ-UHFFFAOYSA-N 320.418 3.515 0 40 DHAB FC(F)(F)c1ccc(CN2C3=NCCN3c3ccccc32)cc1 4710729 WJFFCDWBNBAZKV-UHFFFAOYSA-N 317.314 3.902 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=S)NC(=O)c1ccccc1Cl 5559476 KLLGQTYQLZBSLF-GXFFZTMASA-N 310.850 3.523 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 5562097 PKDOWKQLJKCUJM-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB Fc1ccccc1-c1n[nH]c(SCCOc2ccccc2)n1 5676811 XYCFWFPTFHZTSC-UHFFFAOYSA-N 315.373 3.782 0 40 DHAB Cc1cc(S(=O)(=O)N(C)Cc2ccccc2)c(C)cc1Cl 6527727 VEUSYDLECMDLGQ-UHFFFAOYSA-N 323.845 3.778 0 40 DHAB CCOc1c(OC)cccc1[C@@H](CN)c1c[nH]c2ccccc12 6645708 QOBRJZOCBYGGEH-OAHLLOKOSA-N 310.397 3.666 0 40 DHAB Cc1cccc2[nH]c(SCC(=O)N(C(C)C)C(C)C)nc12 7425278 VRFSAHWWRVIARQ-UHFFFAOYSA-N 305.447 3.609 0 40 DHAB CC(C)Cc1nnc(NC(=O)c2cc3c(s2)CCCC3)s1 7642960 OOKJRZFMEKJOHE-UHFFFAOYSA-N 321.471 3.929 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1 7951384 FVIHABRDHQXMKA-UHFFFAOYSA-N 310.397 3.613 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1C 8140633 WSWJKDQFBXBMOZ-WMLDXEAASA-N 301.430 3.961 0 40 DHAB CC[C@@H]1CCCCN1CCCOc1ccc(C=O)cc1OC 8731537 PKHPFDVZODZGIE-MRXNPFEDSA-N 305.418 3.541 0 40 DHAB Cc1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 8869615 QVBUQMKOTRLUEE-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB CCCCNc1nc(Nc2cccc(C)c2)c2cnn(C)c2n1 9276264 YXBWTDLPQUSZHF-UHFFFAOYSA-N 310.405 3.627 0 40 DHAB C[C@H](OC(=O)c1cccc(F)c1)C(=O)c1ccc(Cl)cc1 11565742 SETXZDYDQZVRMB-JTQLQIEISA-N 306.720 3.907 0 40 DHAB COc1ccc(-c2ccc(C)c(NC(=O)c3ccccc3)c2)nn1 11694178 AAUCFYKYKJPVMH-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB CCc1ccccc1NC(=O)c1cccc(CN2CCCC2=O)c1 12754178 MWYWNUJBCRWIFZ-UHFFFAOYSA-N 322.408 3.624 0 40 DHAB COc1cc2ccccc2cc1C(=O)NCCOc1ccccc1 16009555 ZPCBFKSJDHZAPA-UHFFFAOYSA-N 321.376 3.657 0 40 DHAB O=C(CN[C@H]1CCCc2ccccc21)NCCC1=CCCCC1 16695449 YXEMIKLXKXCMNF-IBGZPJMESA-N 312.457 3.660 0 40 DHAB Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 19214950 VFLILPCQUNABAU-FCGDIQPGSA-N 306.409 3.702 0 40 DHAB CCc1cc(C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)cs1 19522130 FJPZFHFWEPJWPQ-GFCCVEGCSA-N 319.426 3.516 0 40 DHAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 20142162 PADDIABHCDKJPS-LBPRGKRZSA-N 313.353 3.814 0 40 DHAB CN1C(=O)/C(=C/c2ccc(Br)cc2)c2ccccc21 26821468 NQKLYDSSGXCLDH-GXDHUFHOSA-N 314.182 3.966 0 40 DHAB COc1ccc(NC(=O)c2cc3ccc(C)cc3nc2C)cn1 31483755 JZWUSPKMHFVFLH-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB CN(C1CCCC1)S(=O)(=O)c1ccccc1-c1ccccc1 32759390 WXAIQPWWGUIEKT-UHFFFAOYSA-N 315.438 3.917 0 40 DHAB Cc1nc2ccccc2nc1NC[C@H](O)c1ccc(Cl)cc1 32771232 CTTULABBOYKDQU-INIZCTEOSA-N 313.788 3.737 0 40 DHAB O=C(NCCc1ccccc1)NCc1cccc(C(F)(F)F)c1 32862467 HOVMGXJHYFKARD-UHFFFAOYSA-N 322.330 3.747 0 40 DHAB Cc1ccc2c(c1)c1nnc(SCc3cccnc3)nc1n2C 35313020 VOABIYVNBQVVHI-UHFFFAOYSA-N 321.409 3.512 0 40 DHAB COc1ccc(C)cc1NC(=O)NCc1ccccc1Cl 40097970 VOGWOLQCWPYNRG-UHFFFAOYSA-N 304.777 3.979 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2)c1C 44663023 ANHLNQJBVBMFBD-UHFFFAOYSA-N 314.410 3.899 0 40 DHAB COc1cc(CN(C)C(=O)Nc2nccs2)ccc1SC 58523010 OMGDPJMTLHZCKD-UHFFFAOYSA-N 323.443 3.538 0 40 DHAB CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1 68590937 NQRUYCVWCPVFIP-IAGOWNOFSA-N 318.461 3.512 0 40 DHAB in-vitro Clc1ccccc1CSc1ccc(-n2cccn2)nn1 70635212 YFNYPHHDHREOAW-UHFFFAOYSA-N 302.790 3.608 0 40 DHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1 71768904 CPUGGDGWLAXUDR-UHFFFAOYSA-N 323.371 3.708 0 40 DHAB Cc1ccc(OC2CCN(C(=O)c3c[nH]cc3C)CC2)cc1C 71816291 JFXGPDYULGJESD-UHFFFAOYSA-N 312.413 3.624 0 40 DHAB Cc1cc(N(C)C)ncc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72218677 JTTUFZOITPGJAX-AWEZNQCLSA-N 305.422 3.528 0 40 DHAB CCCCN1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 72219365 GYKGRBVVICFBSN-SFHVURJKSA-N 317.477 3.554 0 40 DHAB Cc1nc([C@H](NC(=O)Nc2ccc(C)c(Cl)c2)C(C)C)n[nH]1 72314094 QBGOODHDYTYWGD-CYBMUJFWSA-N 321.812 3.594 0 40 DHAB Nc1cc(-c2nnc(-c3ccc(Cl)c(N)c3)o2)ccc1Cl 73634467 RHPLQJYPOGYFCU-UHFFFAOYSA-N 321.167 3.875 0 40 DHAB Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCCc3ccccc32)s1 78351638 KAMASMVLXGWTPL-SWLSCSKDSA-N 315.442 3.889 0 40 DHAB O=C(C[C@H]1CCCCCN1C(=O)c1cccs1)c1ccco1 79103365 ONFXCITWQYOQLD-CYBMUJFWSA-N 317.410 3.999 0 40 DHAB CN(CCOCc1ccccc1)C(=O)c1ccc2ncccc2c1 83861009 KKTQBRLTCBBNMU-UHFFFAOYSA-N 320.392 3.524 0 40 DHAB Cc1csc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1 89705527 XPWNYVXSFBCTRT-ZIAGYGMSSA-N 320.845 3.567 0 40 DHAB CSc1nc(-c2ccccc2)cn1Cc1nc(C2CC2)no1 95414789 ASKXZDBUWGMRTR-UHFFFAOYSA-N 312.398 3.581 0 40 DHAB CC(C)(C)OC(=O)[C@@H](NCc1ccc(F)cc1)c1ccccc1 95464631 DGNZBMHJRJRZTA-KRWDZBQOSA-N 315.388 3.998 0 40 DHAB Clc1cc2c(cn1)c(Br)nn2[C@H]1CCCCO1 95631178 WTZHAHCGKLOTSG-SNVBAGLBSA-N 316.586 3.546 0 40 DHAB Cc1ocnc1C(=O)N(C)Cc1ccccc1-c1ccccc1 95958467 WDQXHKHCDREKTM-UHFFFAOYSA-N 306.365 3.922 0 40 DHAB C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc2c(c1)CCC2 223244950 HYARHJXDNOSXIX-ZDUSSCGKSA-N 313.372 3.571 0 40 DHAB O=C(CCSCc1ccccc1)NCCc1ccc(F)cc1 224277762 IDCKWLANSAJMOO-UHFFFAOYSA-N 317.429 3.808 0 40 DHAB CCn1nccc1-c1ccc(CC2CCN(C(C)C)CC2)cn1 257292536 QLZCOACRKDOMGU-UHFFFAOYSA-N 312.461 3.628 0 40 DHAB CCCCCCOc1ccccc1/C=C1\SC(=N)NC1=O 408891308 OITYJOFAKRLLDO-KAMYIIQDSA-N 304.415 3.784 0 40 DHAB CC(C)[C@H]1N(C(=O)Nc2cnc(C(C)(C)C)nc2)CC12CCC2 578715498 GZWOFIOIUKAKRG-CQSZACIVSA-N 316.449 3.817 0 40 DHAB COc1ccccc1[N+](=O)Nc1ccc(Br)cc1 584905788 DXAPRSKOMPTNRK-UHFFFAOYSA-N 308.155 3.895 0 40 DHAB FC1(F)[C@H]2CCCO[C@@]21c1noc(-c2ccccc2Cl)n1 585120530 UBSHOIGGPREJQP-GXFFZTMASA-N 312.703 3.661 0 40 DHAB CCC(CC)[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(C)=O 585261206 ILJSTHVMIWSBDD-VYIWNADRSA-N 307.478 3.769 0 40 DHAB C[C@@H](CCc1ccccc1)N(CCC(=O)O)C(=O)OC(C)(C)C 599886049 IGIMTGXTYJFTLN-AWEZNQCLSA-N 321.417 3.720 0 40 DHAB CC1=CC[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C1 97631 GMKLHNRYWLFCTM-OLZOCXBDSA-N 309.287 3.551 0 40 DHAB CCN(CC)c1ccc2c(C)c(Br)c(=O)oc2c1 362982 ZUEYCRIQERASHX-UHFFFAOYSA-N 310.191 3.710 0 40 DHAB O=S(=O)(Nc1ccccc1Cl)c1cccc2cccnc12 423536 HIMFAQJUFCQFKA-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB CCc1c(C)c2ccc(O[C@@H]3CCCCC3=O)cc2oc1=O 489639 IZNVGPOGWHWRJT-MRXNPFEDSA-N 300.354 3.554 0 40 DHAB biogenic CCN(C(=O)CCC(=O)N(CC)c1ccccc1)c1ccccc1 2135786 PJOBXNUJHQBTRC-UHFFFAOYSA-N 324.424 3.873 0 40 DHAB COc1ccc([C@H]2C=C(c3ccc(C)cc3)NC(S)=N2)cc1 2491387 LYWHJBJIWRDEGC-QGZVFWFLSA-N 310.422 3.975 0 40 DHAB CCc1c(C)sc2ncn3nc(-c4cccc(OC)c4)nc3c12 2791622 NIUZDSOJCWLUAR-UHFFFAOYSA-N 324.409 3.885 0 40 DHAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1ccccc1 3152434 WNFMWCCGPDYEPO-RVDMUPIBSA-N 310.378 3.793 0 40 DHAB CC(C)(C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 3385128 DYGLRIZMSKMDGS-UHFFFAOYSA-N 324.446 3.956 0 40 DHAB O=C(NCc1ccccc1Cl)c1ccccc1OC(F)F 3455721 SOXWTGMAFDJFMR-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 3606645 UGMUEEXGAXJLFE-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB CC(C)c1nnc2c3ccccc3c(-c3ccc(O)cc3)nn12 5323902 QCKDNKGLBGJXAL-UHFFFAOYSA-N 304.353 3.774 0 40 DHAB CCCCC/C(=C/c1ccccc1)[C@H]1OC[C@H](COC(C)=O)O1 5523649 DIVBJTJVOFKRKN-OVVXSAMCSA-N 318.413 3.955 0 40 DHAB Cc1cc(S[C@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)nc(S)n1 6281447 FQMQIQCRUPFDGN-LYSGOOTNSA-N 308.472 3.560 0 40 DHAB CC[C@@H](NC(=O)Cc1ccccc1F)c1ccc(OC)cc1 7037389 KKZYVBWWNHXYRO-QGZVFWFLSA-N 301.361 3.644 0 40 DHAB Cc1ccc(-c2noc(-c3cc4cccc(O)c4oc3=O)n2)cc1 9431144 HGUPMCDAQCZVKG-UHFFFAOYSA-N 320.304 3.524 0 40 DHAB Cc1cccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 10110610 ZODRIPTWPPZMHA-ZHACJKMWSA-N 324.380 3.665 0 40 DHAB c1ccc(CCSc2nc(Cc3cccs3)n[nH]2)cc1 12811865 NMPHPWKBXZVVBK-UHFFFAOYSA-N 301.440 3.792 0 40 DHAB Cc1cccc(C(=O)NCCCc2nc3ccccc3s2)c1 12989818 DANJBKGOQQVCQV-UHFFFAOYSA-N 310.422 3.967 0 40 DHAB CC(C)(C)c1nnc2sc(-c3ccc4ccccc4n3)nn12 13681884 RESQOLBQUYEKDQ-UHFFFAOYSA-N 309.398 3.699 0 40 DHAB CC(C)OCCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708542 XVYZCSLMYSPBDV-HNNXBMFYSA-N 315.413 3.538 0 40 DHAB CN(C)c1cccc(C(=O)Oc2ccccc2Br)c1 14393487 GVIHNBOLZVYMTN-UHFFFAOYSA-N 320.186 3.734 0 40 DHAB COc1ccc(NC(=O)COc2cccc(C)c2)c2cccnc12 15840617 ZEWRWHHRDZWOCX-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB CCc1nnc(NC(=O)c2cc3cc(F)ccc3s2)s1 21288476 WDKLAPYMWLVWDL-UHFFFAOYSA-N 307.375 3.707 0 40 DHAB CCc1ccc([C@H](C)NC(=O)COc2ccccc2F)cc1 22743687 YRTMMFWIDIKHQY-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)NC[C@@H](C)c2ccccc2)c1 24036416 LADDZVWCORZWTG-MRXNPFEDSA-N 311.425 3.911 0 40 DHAB COC(=O)c1cccc(CSc2nccn2-c2ccccc2)c1 25964340 PARCTPUTCROWBM-UHFFFAOYSA-N 324.405 3.951 0 40 DHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)NCCC1=CCCCC1 28877108 GVDZIKDOOMXLEA-HNNXBMFYSA-N 312.457 3.982 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@H](c1cccs1)C1CCCC1 31804735 ZEQDIJWXZKGOQI-KRWDZBQOSA-N 318.442 3.943 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1ccn(C2CCCC2)n1 32611580 KRQRSRCDLWRVCB-UHFFFAOYSA-N 319.792 3.913 0 40 DHAB NC[C@H](c1ccc(OCc2ccccc2)cc1)N1CCCCC1 39789202 HOPXZCVDKWEDPB-HXUWFJFHSA-N 310.441 3.751 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 40297383 JXDIOCOSSLPAMS-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)o1 41076805 RFJXSTUBFHFVGG-QMMMGPOBSA-N 300.383 3.678 0 40 DHAB O=c1[nH]c(COc2ccc3ccccc3c2)nc2ccccc12 41864193 RASQVTPHVARUQR-UHFFFAOYSA-N 302.333 3.655 0 40 DHAB COc1ccc([C@@H](Nc2cc(Cl)nc(N)n2)C(C)C)cc1 43535019 QFXBSFFJEWAPJV-AWEZNQCLSA-N 306.797 3.530 0 40 DHAB Cc1cc2nc(-c3cc(-n4cnnc4)cc(C)c3O)oc2cc1C 45920589 KLCQPSRJRDJDCW-UHFFFAOYSA-N 320.352 3.706 0 40 DHAB CN(C(=O)CN1CCC[C@@H]1c1ccsc1)c1ccccc1 46089162 YGIPZEAJZSYABL-MRXNPFEDSA-N 300.427 3.548 0 40 DHAB CC[C@H](C)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 47557875 YJMWDHMFHSBOQH-NSHDSACASA-N 319.836 3.600 0 40 DHAB O=S(=O)(Cc1nc2ccccc2s1)c1ccc(Cl)cc1 48483027 BPPOEAWIQTZLFL-UHFFFAOYSA-N 323.826 3.924 0 40 DHAB Cc1ccc([C@@H](C)N(C)C(=O)Cc2noc3ccccc23)s1 58295691 GBJNHPOLJHEURH-GFCCVEGCSA-N 314.410 3.960 0 40 DHAB O=C(COc1ccccc1-c1ccccc1)NCc1nccs1 58407067 ROAPNUWJANBPLL-UHFFFAOYSA-N 324.405 3.505 0 40 DHAB Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(-n2cccc2)cc1 64347176 NJFRLZSWULMGLA-UHFFFAOYSA-N 306.369 3.639 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1c1ccc(F)c(F)c1 65184311 NTGPZUMJLIVDBS-UHFFFAOYSA-N 309.699 3.544 0 40 DHAB Cc1ccc2oc(C(=O)Nc3ccc(-c4ncc[nH]4)cc3)cc2n1 69780600 NRGLEUSBDLSRTG-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB CCO[C@@H](C)c1nc(CC(=O)OC[C@@H]2CC=CCC2)cs1 71910043 ORNKNGHWVQPNGO-QWHCGFSZSA-N 309.431 3.683 0 40 DHAB Cc1nc(C(C)(C)NC(=O)c2cc(F)ccc2F)sc1C 76477392 IOSZRXCUNSSTGJ-UHFFFAOYSA-N 310.369 3.703 0 40 DHAB CCS[C@H]1CCCCN(C(=O)c2scnc2Cl)C1 78987413 ACNOWAOFFRPQFL-VIFPVBQESA-N 304.868 3.544 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)c(C)c1 79586846 FXSHSWBLEODNIG-UHFFFAOYSA-N 305.381 3.956 0 40 DHAB CCn1c([C@@H](C)NCc2ccc(Cl)nc2)nc2ccccc21 83470729 ICSHVAZQPXSWKV-GFCCVEGCSA-N 314.820 3.955 0 40 DHAB Cc1nc(SCc2nccc(N)n2)n(C2CCCCC2)c1C 84051887 PVOROICQQCCMBW-UHFFFAOYSA-N 317.462 3.670 0 40 DHAB Cc1nc(CN2CCOc3ccc(C(F)(F)F)cc32)cs1 89712442 UOASTHUYODKHDH-UHFFFAOYSA-N 314.332 3.869 0 40 DHAB CC[C@H](NCc1cccc2cn[nH]c12)c1ccc2c(c1)OCCO2 89947852 WVFAOOIHEKPPBM-INIZCTEOSA-N 323.396 3.575 0 40 DHAB Cc1ccc(-c2n[nH]cc2CN(C)Cc2c(C)noc2C)cc1 91812447 RLHQFVFNHLNMEX-UHFFFAOYSA-N 310.401 3.622 0 40 DHAB COc1ccc(CN2CCS[C@@H](C)[C@@H]2C)c(Cl)c1OC 93501687 HADVHZUUVZZYJR-QWRGUYRKSA-N 315.866 3.683 0 40 DHAB COc1ccc(CN[C@H](C)c2c(Cl)nc3ccccn23)cc1 95427009 KVSCEOOSKUCJMQ-GFCCVEGCSA-N 315.804 3.847 0 40 DHAB C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(F)c(F)c1F 95429853 QIFGXRCPLGXHFH-SECBINFHSA-N 309.287 3.643 0 40 DHAB Cc1c(CN[C@@H]2CCCc3ccc(OC(C)C)cc32)cnn1C 95440176 GPAWHYWNWJMJTE-LJQANCHMSA-N 313.445 3.683 0 40 DHAB CCc1noc([C@H](C)Nc2cccc(N3CCCCC3)c2)n1 95959776 VELJXXUWBHRWGI-ZDUSSCGKSA-N 300.406 3.795 0 40 DHAB CCOC[C@H]1COCCC12CCN(Cc1sccc1C)CC2 96106421 KHGPZWLMNBDNPJ-INIZCTEOSA-N 323.502 3.712 0 40 DHAB COc1ccc(CN(C(=O)c2ccoc2)c2ccncc2)cc1 96418465 MJFMFWJKSZBGEV-UHFFFAOYSA-N 308.337 3.530 0 40 DHAB Cc1nc(C(=O)O[C@@H](C)c2ccccn2)c(-c2ccccc2)o1 97376605 SMTFJVKDCGNOJW-LBPRGKRZSA-N 308.337 3.963 0 40 DHAB CCCOc1ccccc1CN1[C@@H]2CC[C@@H]1c1cnc(C)nc1C2 100189532 KVIFUVDMSVAHAY-VQIMIIECSA-N 323.440 3.836 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102595292 SIRDUEBANVXGRZ-OIDVLUPKSA-N 301.430 3.785 0 40 DHAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2Cl)CCC1 102739698 YRVNZQNMOGTGEV-ZDUSSCGKSA-N 316.748 3.958 0 40 DHAB COc1ccc(C[S@@](=O)CC[C@@H]2CCCCO2)cc1Cl 195579625 PDQYDVYDEVFPCF-RBZFPXEDSA-N 316.850 3.557 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(C)cc1C 223144605 WIEDKVDZICMHSX-KRWDZBQOSA-N 302.462 3.688 0 40 DHAB Cc1ccccc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225041692 RSYXSJBVENCADY-UHFFFAOYSA-N 311.406 3.973 0 40 DHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(F)s1 225388413 OHJSYUYMXGJDQZ-UHFFFAOYSA-N 313.419 3.813 0 40 DHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(C)c(C)c1 225744180 YFTVVWHYIVIRKQ-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(Cc1ccc(Cl)cc1)C2=O 226864048 FMWCQWZZQDAALG-SUMWQHHRSA-N 305.805 3.651 0 40 DHAB Cc1cc(C(=O)O)cc(C)c1OC(=O)c1cccc(Cl)c1 256051952 LGELLEMJQJSRTO-UHFFFAOYSA-N 304.729 3.874 0 40 DHAB Fc1cccc(Cc2cnc([C@@H]3CCCN3c3ccncn3)o2)c1 257311643 UKKXWEASYLUKIK-INIZCTEOSA-N 324.359 3.536 0 40 DHAB CC(C)Cc1ccc([C@H](C)NC(=O)Cc2cccc(N)c2)cc1 261687420 ISPHNJCIHTWAAV-HNNXBMFYSA-N 310.441 3.887 0 40 DHAB COc1cccc(/C(C)=C/C(=O)N(C)C2CCC(OC)CC2)c1 267562419 KRLNMPOVZGSAMF-WYMLVPIESA-N 317.429 3.515 0 40 DHAB CC(=O)Oc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 49670 FEHMMMXXWLHUJL-UHFFFAOYSA-N 303.745 3.826 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 254719 CALNUDRLRJURKB-UHFFFAOYSA-N 302.182 3.794 0 40 DHAB CCOc1ccc(C(=O)Nc2nnc(CC(C)(C)C)s2)cc1 268469 JAKYWGMRNQSHJZ-UHFFFAOYSA-N 319.430 3.778 0 40 DHAB O=C(Nc1cccc(F)c1)c1cc(F)c(Cl)nc1Cl 385085 JKQRGIKIOXMRDE-UHFFFAOYSA-N 303.095 3.919 0 40 DHAB C(=C/c1ccc2c(c1)OCO2)\c1cc[n+](Cc2ccccc2)cc1 3099567 JSSSCYHMVXCTLD-VOTSOKGWSA-N 316.380 3.922 0 40 DHAB CC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 4591651 BXWTYBDFRSRDAC-XOBRGWDASA-N 322.408 3.926 0 40 DHAB CCc1ccc(CC)c(S(=O)(=O)Nc2ccccc2OC)c1 5234950 FJYWTRZBKDFLKQ-UHFFFAOYSA-N 319.426 3.621 0 40 DHAB CCCCCc1nnc(NC(=O)c2ccc(F)cc2F)s1 5617034 GOPOFHZFAHKGBO-UHFFFAOYSA-N 311.357 3.801 0 40 DHAB O=C1NC(c2ccccc2)=N/C1=C\c1ccc(Cl)cc1Cl 5682119 PLRFYWYPBLKTDQ-ZSOIEALJSA-N 317.175 3.911 0 40 DHAB CC(=O)c1ccc2c(c1)C[C@]1(C2)Cc2ccc3c(c2C1=O)CCC3 5713144 BAVJVRKSDTYFEZ-QFIPXVFZSA-N 316.400 3.902 0 40 DHAB COc1ccc(NC(=O)COc2cccc(C)c2)cc1Cl 5942966 SZNLYBSGWQWYQE-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB c1ccc(OCCSc2nnc3c(n2)[nH]c2ccccc23)cc1 6061707 TZADUDRCEFHXRA-UHFFFAOYSA-N 322.393 3.677 0 40 DHAB CCCn1c(NC(=O)c2cc(F)cc(F)c2)nc2ccccc21 6649190 UQOCNWZMPBZMMF-UHFFFAOYSA-N 315.323 3.977 0 40 DHAB CC(C)CN(CC(C)C)c1ncnc2c1cnn2-c1ccccc1 6693246 AGPJWDKDKGGFIT-UHFFFAOYSA-N 323.444 3.934 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 7882568 YYNGNJRIMNCHRI-INIZCTEOSA-N 322.408 3.603 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)o1 8076501 DASCMQFCJZZRHT-UHFFFAOYSA-N 313.382 3.712 0 40 DHAB Cc1c(-c2cc(-c3ccccc3)n[nH]c2=O)c2ccccc2n1C 8652981 YHVYICAJQNMFBG-UHFFFAOYSA-N 315.376 3.904 0 40 DHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)c(F)c1 8884037 GSOXOSPSFQGCMT-RIYZIHGNSA-N 319.694 3.963 0 40 DHAB C[C@@H](Cc1nnc(NC(=O)c2ccco2)s1)c1ccccc1 9095407 GGRLFUPCDHEXMD-NSHDSACASA-N 313.382 3.730 0 40 DHAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC1CC1 9160339 ZYPRYCVEKMPRRO-ZCFIWIBFSA-N 324.755 3.513 0 40 DHAB CCOc1ccccc1-c1noc(CN2CCc3ccccc32)n1 9681841 MDYODGLEILMOSW-UHFFFAOYSA-N 321.380 3.698 0 40 DHAB Cc1noc(CSc2nc3ccccc3n2CC(C)C)n1 12730261 YGDMRXHBYSRRLW-UHFFFAOYSA-N 302.403 3.676 0 40 DHAB CCc1ccc2c(CC(=O)Nc3c(C)nn(C)c3C)coc2c1 12975960 WUWLEGOVYAYBSE-UHFFFAOYSA-N 311.385 3.527 0 40 DHAB C/C(=C\COc1ccc2ccc(=O)oc2c1)C/C=C/C(C)(C)O 13374365 ZHQPRJMIAALFHX-ATTWWORZSA-N 314.381 3.835 0 40 DHAB biogenic,in-vitro COc1ccc([C@@H]2OC[C@@]3(CO)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 13576525 RJYHUHMMBLCXKJ-IRIMSJTPSA-N 302.414 3.594 0 40 DHAB COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1 14629512 AKVLLAAIHBZFBU-UHFFFAOYSA-N 311.259 3.867 0 40 DHAB Cc1cc(=O)oc2cc(NC(=O)c3c(F)cccc3F)ccc12 14722482 PTWFQHJJJCWHBF-UHFFFAOYSA-N 315.275 3.632 0 40 DHAB Cc1ccccc1CN1CCCN(c2ccc(C(=O)O)cc2)C1=O 15414064 QMGKSISTWGGFLK-UHFFFAOYSA-N 324.380 3.526 0 40 DHAB CCOc1ccc(Nc2nnc(-c3ccc(C)cc3)c(O)n2)cc1 16777320 UPNYPBKGRUFDOU-UHFFFAOYSA-N 322.368 3.695 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)ccc1F 19476976 KKSOLFCPPPZFIY-ZANVPECISA-N 314.198 3.897 0 40 DHAB Cc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)o1 20033710 VCYUQHJCRSHKOX-UHFFFAOYSA-N 303.170 3.660 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1Cl 20139340 RTVDSEMNJDDTOE-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB O=C(Nc1cccc2cnccc12)c1ccc(C(F)(F)F)nc1 21220324 NLUARGCXKYBNDW-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB COc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1 32833058 AKQXHYDYTJPXBV-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB O=C(NCCc1cccnc1)c1ccc(-c2ccccc2)cc1 32908782 UQCXQCUORQTOMH-UHFFFAOYSA-N 302.377 3.721 0 40 DHAB COc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 38835098 FEWJOPKQTSHYGK-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CC=CCC1 40108455 MYWCYOAEQYMVED-TZMCWYRMSA-N 322.246 3.853 0 40 DHAB CCCCNC(=O)C1CCN([C@H](C)c2ccc(F)cc2)CC1 42133810 ROJIQUGKKUDKIM-CQSZACIVSA-N 306.425 3.515 0 40 DHAB CC(C)Oc1ccc(NC(=S)NCc2ccccc2)cc1 44195008 UPNQQGAJQQHSNO-UHFFFAOYSA-N 300.427 3.960 0 40 DHAB CC(=O)Nc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1F 52953270 ZTSILPJVQAEJGA-UHFFFAOYSA-N 312.344 3.525 0 40 DHAB Cc1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cn1 58193477 JNXWOXZEEFDNHC-UHFFFAOYSA-N 305.309 3.530 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)CSc2ccccc2)c1 65697979 AZTPYXHEXNZNCA-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB O=C(NC1CCCC1)N1CCC(c2cc3ccccc3[nH]2)CC1 65985824 MMEWBNJEPOHYON-UHFFFAOYSA-N 311.429 4.000 0 40 DHAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1occc1-c1ccccc1 69419439 FPQVNYYRTLPVGA-UHFFFAOYSA-N 320.304 3.633 0 40 DHAB CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C)sc2C)C1 69920437 OBBZCPWXRVDTFL-AWEZNQCLSA-N 317.458 3.601 0 40 DHAB Cc1nc(N(C)C)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72218769 BJHUSGJORYMVKO-OAHLLOKOSA-N 319.449 3.918 0 40 DHAB CCCCN1CCCC[C@@H]1c1cnc(N2CCOCC2)cc1C 72219424 XCMSHKSUDFNSKQ-GOSISDBHSA-N 317.477 3.554 0 40 DHAB CN1CCC(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 74921074 WAIJXYZNZQMMDK-UHFFFAOYSA-N 301.217 3.664 0 40 DHAB CSC1(CNC(=O)c2cc3ccccc3s2)CCOCC1 76041137 URDHZQLNKLTGLL-UHFFFAOYSA-N 321.467 3.543 0 40 DHAB C[C@@H](Cc1ccc(O)cc1)N(C)c1ccnc(-c2ccccc2)n1 79099054 UQERZBUTWZSRTQ-HNNXBMFYSA-N 319.408 3.917 0 40 DHAB Fc1ccc(C[C@H]2CCCN2Cc2nccn2C(F)F)cc1 79485806 FTHYVNZFIABMLD-CQSZACIVSA-N 309.335 3.624 0 40 DHAB C[C@@H](CCCO)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 88479109 GVIQQDLUMQSUIQ-UWVGGRQHSA-N 319.232 3.515 0 40 DHAB Cc1cc([C@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 89580459 SSQFQZADRGIFRN-KBPBESRZSA-N 310.401 3.889 0 40 DHAB CCOc1ccc2ccccc2c1COC(=O)[C@@H]1CCO[C@H]1C 92309403 TWYWSADOLPKJPC-DZGCQCFKSA-N 314.381 3.707 0 40 DHAB CCc1ccc(CN[C@H](C)c2ccccc2N2CCOCC2)o1 95415509 IUTKRWDPLUTZHQ-OAHLLOKOSA-N 314.429 3.529 0 40 DHAB CC(=O)Oc1ccccc1Sc1ccccc1OC(C)=O 198797250 ROFFTYCIZBUMGY-UHFFFAOYSA-N 302.351 3.688 0 40 DHAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(F)cc3)nc2c1 216922437 QNJPJGCEZNFHSA-UHFFFAOYSA-N 304.708 3.809 0 40 DHAB CCc1ccc(O[C@@H](CC)C(=O)N2CCc3ccccc32)cc1 222890338 CEAKJYHRPGANSV-IBGZPJMESA-N 309.409 3.996 0 40 DHAB CCOc1ccc(C(=O)N(C)Cc2ccccc2OC)cc1C 223320643 DSAYZUOUSCZBBR-UHFFFAOYSA-N 313.397 3.675 0 40 DHAB CC(C)Sc1nnc(NC(=O)/C=C/c2ccc(F)cc2)s1 223323270 QYBKKBDJWWSDRZ-VMPITWQZSA-N 323.418 3.830 0 40 DHAB COc1ccc(CCC(=O)NCCCc2ccc(F)cc2)cc1 225316344 ZTAXXCDBASKRCE-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB Cc1ccc(CCC(=O)Nc2nnc(SC(C)C)s2)cc1 225431025 WVHVSWOTWQRTSK-UHFFFAOYSA-N 321.471 3.918 0 40 DHAB C[C@H](Nc1ccc(N)cc1C(=O)N1CCCC1)c1ccccc1 225459099 KWYNIOCYNJEEEJ-AWEZNQCLSA-N 309.413 3.678 0 40 DHAB COc1ccc(C)cc1NC(=O)c1conc1-c1ccccc1 225871608 MGMJLOYYMJQQOS-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB COc1cc(C)c(NC(=O)C(C)(C)c2ccc(Cl)cc2)cn1 225959993 JOVUCLVOJNXBSG-UHFFFAOYSA-N 318.804 3.968 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2cccc(N)c2C)c(C)c1 226272345 KAOODOKSBSWRMN-UHFFFAOYSA-N 311.429 3.984 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260743713 QDGHNKMRLFRVHL-DNUAJFIVSA-N 313.441 3.638 0 40 DHAB Cc1cccc(CSCCNC(=O)c2ccccc2F)c1 408563778 PLQFIGLHVGIVIS-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB O=c1c2ccccc2nc(-c2ccco2)n1Cc1ccccc1 35944 NREZRVHTJNSYBM-UHFFFAOYSA-N 302.333 3.705 0 40 DHAB Cc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c1 127395 LZQFIRGXPQOLCK-UHFFFAOYSA-N 302.333 3.954 0 40 DHAB COC(=O)c1ccc2nc(C)cc(Nc3cccc(O)c3)c2c1 144086 JZWRXWQCJGWFRE-UHFFFAOYSA-N 308.337 3.779 0 40 DHAB C[C@@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2Cc2ccccc21 209309 KGUJICJKGOBPND-BZNIZROVSA-N 307.349 3.589 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)cc1 1461461 YJAIIISZRGOVCK-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB CCOC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 1662238 DLCANSQBMBAXDJ-UHFFFAOYSA-N 323.436 3.784 0 40 DHAB in-vitro NCCCCCc1nnc(SC/C=C/c2ccccc2)o1 2370847 NCBBLXRUHOSPCC-JXMROGBWSA-N 303.431 3.547 0 40 DHAB Cc1ccccc1N1C(=O)S[C@H](Nc2ccc(F)cc2)C1=O 2407756 YVWFLVJXCIAEDQ-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)NC2CCC(C)CC2)cc1 3431576 HCGQYYCGCZEMFF-UHFFFAOYSA-N 317.429 3.743 0 40 DHAB CCOc1ccc(NC(=O)COC(=O)CC2CCCCC2)cc1 3449294 BBFUPISMTRTSPI-UHFFFAOYSA-N 319.401 3.537 0 40 DHAB COc1ccccc1CNC(=O)Cc1ccc(Cl)c(Cl)c1 3614974 DWJZMUGGYYYJDA-UHFFFAOYSA-N 324.207 3.861 0 40 DHAB CCCCCC[C@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 4690653 AMIUZDPAMTUBNW-MARXPDLDSA-N 303.402 3.904 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 4702932 PLAVOPHKJOMCNG-KBPBESRZSA-N 302.418 3.543 0 40 DHAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccccc1F 5016648 YQSLRLPSCWJBJN-UHFFFAOYSA-N 307.737 3.736 0 40 DHAB Cc1cccc(-n2c(C)nnc2SCC(=O)c2ccccc2)c1 5360497 IVOWVNCYSNDQEW-UHFFFAOYSA-N 323.421 3.859 0 40 DHAB O=C(NCCc1ccco1)C(c1ccccc1)c1ccccc1 6668190 RPIOKOCKURVRTB-UHFFFAOYSA-N 305.377 3.770 0 40 DHAB Cc1cc(COC(=O)c2csc(-c3cccs3)n2)no1 7076553 BCUDUZXJJCQQCW-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)C(C)C)c1 7377500 JQSQXXRYOIENBH-UHFFFAOYSA-N 317.454 3.903 0 40 DHAB CSc1ccc(CN(C)CC(=O)NCC2CCCCC2)cc1 7495460 BMCXRMWEYNHAEU-UHFFFAOYSA-N 320.502 3.537 0 40 DHAB Cc1nc2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc2o1 8109957 RKPARANVUWMACV-UHFFFAOYSA-N 316.382 3.554 0 40 DHAB CN(CCc1ccccn1)c1ncnc2sc3c(c12)CCCC3 8148673 QNSUAGCVCVFRKI-UHFFFAOYSA-N 324.453 3.644 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1ccccc1 8478180 IPIPNHDHSKNYHQ-INIZCTEOSA-N 301.361 3.642 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)NC1CCCCCC1 8499897 UPKUHEYZOCQXHJ-OAHLLOKOSA-N 305.418 3.692 0 40 DHAB CC(C)(C)c1nnc(SCCCOc2ccc(C=O)cc2)o1 8731640 LKTONTSPACLHIK-UHFFFAOYSA-N 320.414 3.741 0 40 DHAB Cc1ccc2oc(C(=O)NCCn3ccc4ccccc43)cc2n1 8798613 LSSQFLBWQDLLHM-UHFFFAOYSA-N 319.364 3.521 0 40 DHAB O=C1CC2(CCCC2)C(=O)N1Cc1c(Cl)cccc1Cl 9076627 KJRFPYYSTNDJNJ-UHFFFAOYSA-N 312.196 3.813 0 40 DHAB Cc1cc2c(cc1C)C(NCCCOC(C)C)=NC(C)(C)C2 9305947 SLJBEJHSYIRAHO-UHFFFAOYSA-N 302.462 3.789 0 40 DHAB C[C@H](NC(=O)C(C)(C)c1ccccc1)c1nc2ccccc2[nH]1 9467716 LMTFAGGTGOHGPR-ZDUSSCGKSA-N 307.397 3.718 0 40 DHAB C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](O)c1ccc(O)cc1 9591879 UUHKXPRLUBBUFM-RDROQOGOSA-N 303.446 3.763 0 40 DHAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1 12062534 NISCPNLKSITMID-UHFFFAOYSA-N 323.352 3.778 0 40 DHAB O=C(C1CC1)N1CCc2cc(-c3cc4ccccn4c3)ccc21 13267754 PGWIEIPYXUDFLQ-UHFFFAOYSA-N 302.377 3.905 0 40 DHAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cc1F 15554258 HZODOUPBAHPGAY-AORWBKJGSA-N 311.356 3.825 0 40 DHAB Cc1nc2ccccc2nc1-c1nc2ccccc2c(=O)s1 16265631 CORLTIQQPONGHU-UHFFFAOYSA-N 305.362 3.575 0 40 DHAB C[C@@H](NC(=O)NCCc1ccccc1)c1cccc(Cl)c1 17115781 MOYXQUPKSNMVFM-CYBMUJFWSA-N 302.805 3.943 0 40 DHAB Cc1ccc(C(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cn1 19214944 VFLILPCQUNABAU-WJFTUGDTSA-N 306.409 3.702 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1N 19263496 FQGDWDJKMCHZBO-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Cc1ccc(NC(=O)COc2cccc(Cl)c2Cl)nc1 20407228 IYNWLQRILFXXCL-UHFFFAOYSA-N 311.168 3.714 0 40 DHAB Cc1cccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)n1 24761790 QGWQXVFYNDPWKR-UHFFFAOYSA-N 320.396 3.718 0 40 DHAB O=C(NCc1cccs1)c1cc(-c2cccc(Cl)c2)[nH]n1 25048047 ZEUPTWHYUVOQJQ-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB COc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 25238379 PQBDELZQYBDSAY-GHMZBOCLSA-N 316.323 3.938 0 40 DHAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 30477304 XYTSILMVSCSBKN-NSHDSACASA-N 308.303 3.900 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CC1 30844100 UJGQBONSWQAOCV-KXBFYZLASA-N 309.409 3.859 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccccc1 32830220 BOFXGDUUIRXZCH-LBPRGKRZSA-N 310.328 3.972 0 40 DHAB Cc1cc(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)no1 32841323 AILTVIQVWCKJPK-LLVKDONJSA-N 323.805 3.995 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 32903096 VXDRDPGQBOCKNR-LLVKDONJSA-N 308.303 3.900 0 40 DHAB Cc1cc(C)n(-c2cccc(NC(=O)/C=C/c3ccco3)c2)n1 32915505 XVVJILNGXUUKJP-CMDGGOBGSA-N 307.353 3.734 0 40 DHAB Cc1cccc(C(=O)NCc2ccccc2)c1Br 34850346 RMZCOCPILJGRHF-UHFFFAOYSA-N 304.187 3.688 0 40 DHAB COc1ccc2c(CN[C@@H]3CCC[C@@H](C)[C@H]3C)cc(=O)oc2c1 35288683 CTFXTOYBBHKMCQ-PBFPGSCMSA-N 315.413 3.716 0 40 DHAB O=C(NCCc1ccc(F)cc1)Nc1cccc(OC(F)F)c1 40120536 LJQKDZHRXFGQRX-UHFFFAOYSA-N 324.302 3.791 0 40 DHAB C[C@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccccc1F 40466242 SNJVKNOEWGMTSS-NSHDSACASA-N 315.323 3.866 0 40 DHAB C[C@H](Nc1ncnc2sccc12)c1ccc2c(c1)CCC(=O)N2 44976439 XJLGAMGJJNWBFC-JTQLQIEISA-N 324.409 3.749 0 40 DHAB C[C@H](Nc1cc(Cl)nc(N)n1)c1cccc(C(F)(F)F)c1 45010195 PVIRVUSCTBYBRT-ZETCQYMHSA-N 316.714 3.904 0 40 DHAB CC1CCN(c2c(N)cc(Br)cc2Cl)CC1 45958963 PSTROTAYQIZWOT-UHFFFAOYSA-N 303.631 3.921 0 40 DHAB O=C(NCCSCc1ccccc1)Nc1ccc(Cl)nc1 48332599 LZFHNRWNUMAYJX-UHFFFAOYSA-N 321.833 3.790 0 40 DHAB CCOc1ccc(OC(=O)c2c(Cl)nc3ccccn23)cc1 48867770 CJFOVDCBVSYSST-UHFFFAOYSA-N 316.744 3.606 0 40 DHAB CSc1ccc(CNC(=O)Nc2cccnc2Cl)cc1 49211370 IXJSXPLFAFNLOK-UHFFFAOYSA-N 307.806 3.779 0 40 DHAB Cc1ccc(F)c(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 51315689 YKVWMYWGWCCNJN-UHFFFAOYSA-N 301.346 3.838 0 40 DHAB CCN(c1ccc(Nc2cc(Cl)nc(N)n2)cc1)C(C)C 57861528 HAUPYOXKNHLIAP-UHFFFAOYSA-N 305.813 3.691 0 40 DHAB C[C@H](NC(=O)CSCC(=O)c1ccccc1)c1cccs1 58289818 CWNLOUXNNBYYSK-LBPRGKRZSA-N 319.451 3.541 0 40 DHAB O=C(Nc1cccc2cccnc12)N1CCC[C@@H]1c1ccc[nH]1 68631181 NVDJFTLQFUKSAB-MRXNPFEDSA-N 306.369 3.932 0 40 DHAB C[C@H](C1CC1)N(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1 69597123 UGGJVYGCZRHYFR-LLVKDONJSA-N 318.417 3.744 0 40 DHAB COc1ccc(OC)c(NC(=S)Nc2cccc(F)c2C)c1 71325977 OEQGOMFZNKIWQG-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB C[C@H](CC1CCCCC1)C(=O)NCCc1nccn1C(F)F 71907597 XBFJAMISGIXTCO-GFCCVEGCSA-N 313.392 3.543 0 40 DHAB CCc1nc([C@@H]2CCCN2Cc2nc3ccccc3s2)no1 72279357 SWQWYMKDLRGRDK-LBPRGKRZSA-N 314.414 3.579 0 40 DHAB CCn1cc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cn1 73144747 PQOVAPQZIOXUIS-UHFFFAOYSA-N 323.400 3.610 0 40 DHAB O=C(NCc1csc2ccccc12)Nn1cnc2ccccc21 84593146 UJPIBMJWSJRIFS-UHFFFAOYSA-N 322.393 3.704 0 40 DHAB Nc1ccccc1-c1nnc(COc2ccc(Cl)cc2)o1 85386155 AWECMAHKBDUQRV-UHFFFAOYSA-N 301.733 3.551 0 40 DHAB CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cnn(C(C)C)c2)C1 89274952 VYEHNSDSYDAXRM-UONOGXRCSA-N 310.467 3.602 0 40 DHAB CC(C)C[C@@H](NC(=O)c1cnc(Cl)cn1)c1ccccc1 89821043 LAUBONFFWCEHRS-CYBMUJFWSA-N 303.793 3.647 0 40 DHAB O=c1ccccn1CCCCN[C@H]1CCc2cc(Cl)ccc21 95421251 NJPUHSKGPKFCBK-KRWDZBQOSA-N 316.832 3.559 0 40 DHAB CC(C)n1cc([C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cn1 95990534 HROOZXSFMRMFOP-CQSZACIVSA-N 312.417 3.764 0 40 DHAB C[C@H](NC1(c2cccc(F)c2)CC1)c1ccc([S@@](C)=O)cc1 95991429 FPPSDWMBNHPRFV-XMHCIUCPSA-N 317.429 3.903 0 40 DHAB O=C(OC1(C2CC2)CC1)[C@H]1CCn2c(cnc2-c2ccccc2)C1 96013442 FGDXCTFBFWRPJT-HNNXBMFYSA-N 322.408 3.598 0 40 DHAB Cc1noc(C)c1C(=O)N[C@H]1CCCc2c1[nH]c1ccccc21 96223740 HVGPJPPESOLLHK-HNNXBMFYSA-N 309.369 3.580 0 40 DHAB Cc1nnsc1C(=O)NCc1ccccc1-c1ccsc1 96383218 HEMMFUPYHUBEIM-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB CCOCc1ccccc1NC(=O)N1CCS[C@H](CC)C1 96434243 ALCVBJNMPVURGV-CQSZACIVSA-N 308.447 3.582 0 40 DHAB FC(F)(F)C[C@H](NCc1ncc[nH]1)c1ccc(Cl)cc1 96486405 KTRGVFLZMBLPIY-NSHDSACASA-N 303.715 3.846 0 40 DHAB CC(C)(C)OC(=O)N[C@](C)(C(=O)O)c1ccc2ccccc2c1 98073401 RMHJGGFLMZHGJB-SFHVURJKSA-N 315.369 3.664 0 40 DHAB COC(=O)[C@@H]1[C@H](C[C@H](O)c2ccccc2)[C@H]2CC[C@@]1(C)C2(C)C 100363913 LLZXMKJMTYWIHO-GFAJBQDWSA-N 316.441 3.972 0 40 DHAB C[C@H](NC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1C[C@H]2CC[C@H]1C2 108340232 UUIVMXHCTVZZHI-HTVCTNPSSA-N 318.383 3.795 0 40 DHAB CC1=CCC[C@@H](C)[C@@H]1CN1CCC(OC2CCOCC2)CC1 195575839 SYQIZYSEWALVKY-VQIMIIECSA-N 307.478 3.639 0 40 DHAB COc1cc(Br)c2[nH]c(-c3ccc(N)cc3)nc2c1 216917653 AQXQEXXKOVPXAY-UHFFFAOYSA-N 318.174 3.583 0 40 DHAB COC(=O)[C@@H](C(C)C)N1c2cc(OC)ccc2C(C)=CC1(C)C 223211451 QLMAHRYHPPYYAB-QGZVFWFLSA-N 317.429 3.895 0 40 DHAB CC(C)CNC(=S)Nc1ccc(N2C[C@@H](C)C[C@H](C)C2)nc1 223878695 ALSOLKHYTUKDKS-KBPBESRZSA-N 320.506 3.506 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCc2ccccc21 225070817 UDYKKNMUYMDTGK-OAHLLOKOSA-N 321.420 3.922 0 40 DHAB CCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCCCC1 225710126 AKTRZEBPWMGQRK-UHFFFAOYSA-N 305.418 3.990 0 40 DHAB Clc1ncnc2nc(-c3cccc(Br)c3)cnc12 225740823 XGGPXUKNAOPTCG-UHFFFAOYSA-N 321.565 3.503 0 40 DHAB Cc1ccc([C@]2(C(=O)O)CCCN(Cc3ccccc3)C2)cc1 514250860 QEIKBFNVOBKPEO-FQEVSTJZSA-N 309.409 3.613 0 40 DHAB COc1cc(C2([C@H](N)CC(C)C)CCC2)cc(OC)c1OC 1772714910 DAMJGWVLMFXGGD-MRXNPFEDSA-N 307.434 3.508 0 40 DHAB COC(=O)c1sc(=S)n(-c2cc(Cl)ccc2C)c1N 425173 LOQDUDWGRVXKNP-UHFFFAOYSA-N 314.819 3.599 0 40 DHAB CN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@](C)(O)CC1(C)C 500691 BYULJHAZGCNJAY-AWEZNQCLSA-N 317.216 3.742 0 40 DHAB OCCCNc1nc(-c2cccc(Cl)c2)nc2ccccc12 1910693 SBCATFKGMJXOFQ-UHFFFAOYSA-N 313.788 3.745 0 40 DHAB Cc1csc(S[C@H](C)C(=O)NCCC2=CCCCC2)n1 2627749 OBLPTJXLLJNQNS-GFCCVEGCSA-N 310.488 3.939 0 40 DHAB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc(Cl)c1 3247250 USTMUFJIZKQLPD-NSHDSACASA-N 309.793 3.791 0 40 DHAB O=C(NCCCn1ccnc1)c1cc2c(ccc3ccccc32)o1 4025099 YCQXFGFPFJEFRZ-UHFFFAOYSA-N 319.364 3.603 0 40 DHAB CCCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C 4050105 AJGLJPXSYXCUEE-UHFFFAOYSA-N 319.426 3.628 0 40 DHAB Cc1cc2cc(CNC(=O)c3ccc(F)c(F)c3)ccc2n1C 4061516 FCBDJOUTUSUGNC-UHFFFAOYSA-N 314.335 3.695 0 40 DHAB Nc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc[n+]12 4263160 PWUWJAHXYRPPDE-UHFFFAOYSA-N 304.398 3.798 0 40 DHAB C[C@H]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2)[C@@H]1C 4614794 LPMPPYTYFNJDFX-ZOWXZIJZSA-N 324.262 3.933 0 40 DHAB CCCCCOc1ccccc1C(=O)NCCCCCC(=O)O 4836764 HPKGXSKJCNQPLU-UHFFFAOYSA-N 321.417 3.630 0 40 DHAB O=C(CCSCc1ccccc1)Nc1ccc2c(c1)OCO2 4982996 IZLBRUDVIPCIJJ-UHFFFAOYSA-N 315.394 3.677 0 40 DHAB CC1(C)CCC(=Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 5447710 PPDBOQMNKNNODG-QGZVFWFLSA-N 317.820 3.566 0 40 DHAB biogenic CC[C@@H](C)CN1CCc2c(c3c(c(OC)c2OC)CCC3)C1 6411713 SHQNLVNFWJVLHR-CYBMUJFWSA-N 303.446 3.597 0 40 DHAB Cc1nc2c(-c3ccccc3)cnn2c(N)c1-c1ccccc1 6809401 LURGPSLQITYUPM-UHFFFAOYSA-N 300.365 3.954 0 40 DHAB CC(C)(C)C(=O)COC(=O)Cc1c(Cl)cccc1Cl 7063626 AIKPHODFBWNOOD-UHFFFAOYSA-N 303.185 3.694 0 40 DHAB COc1ccc(Oc2nc3cc(C)nn3c3ccccc23)cc1 7737788 FRCHUSWXGNKHJD-UHFFFAOYSA-N 305.337 3.992 0 40 DHAB C[C@@H]1c2ccsc2CCN1C(=O)Cc1c[nH]c2ccccc12 7829370 YGVDHIOEHBJAPS-GFCCVEGCSA-N 310.422 3.918 0 40 DHAB Cc1ccc(NCC(=O)N2CCc3ccccc32)c(Cl)c1 7972384 KEMNBSZRKSWSIA-UHFFFAOYSA-N 300.789 3.650 0 40 DHAB CCCCN(CC)Cc1c(C)nc2ccc(OC)cc2c1O 8700902 XRYMUXGFVRVDAZ-UHFFFAOYSA-N 302.418 3.879 0 40 DHAB COc1ccc(OC)c(NC(=O)c2ccc(CSC)cc2)c1 8883509 IPDISCJFVOPCLT-UHFFFAOYSA-N 317.410 3.819 0 40 DHAB COCCCNC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 9790195 LXQPYQSVIIBXBL-KRWDZBQOSA-N 306.450 3.843 0 40 DHAB Cc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)n1C 14200011 QYYJDHYGRQJVPD-UHFFFAOYSA-N 318.420 3.859 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1cccc2ccccc12 15225384 ATEILRMMIZTFGE-DACLVMHWSA-N 303.361 3.541 0 40 DHAB COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cn1 15302263 ZRWMMHCGTHWSQV-UHFFFAOYSA-N 314.385 3.540 0 40 DHAB COc1ccc2[nH]cc(CCNCc3cccc4[nH]ccc34)c2c1 15423527 WCCNRVUPYJXVNJ-UHFFFAOYSA-N 319.408 3.990 0 40 DHAB CC[C@@H]1CCCCN1Cc1cc(=O)oc2c(C)c(O)ccc12 16445027 URMKPZLFZGJRDW-CQSZACIVSA-N 301.386 3.572 0 40 DHAB Cc1ccc(C)c([C@H](C)N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 16685065 LTICJNMBNYTNKW-LSDHHAIUSA-N 321.424 3.952 0 40 DHAB Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 19736092 VXVFRQHXAALKOU-LLVKDONJSA-N 304.777 3.637 0 40 DHAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 20034929 JEJHGXOWEBZPAW-ZDUSSCGKSA-N 303.789 3.905 0 40 DHAB Cc1ccc(CC(=O)NCCSCc2ccccc2C)cc1 20111092 ZQWSJSRWPVZVDP-UHFFFAOYSA-N 313.466 3.896 0 40 DHAB Cc1ccc(C)c(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c1 22236221 PCXMFAYHKHGLOK-UHFFFAOYSA-N 324.355 3.547 0 40 DHAB Cc1ccc2cc(C(=O)Nc3ccc4c(c3)OCCCO4)[nH]c2c1 24860286 CFEYUWUMGBWYLA-UHFFFAOYSA-N 322.364 3.890 0 40 DHAB CC[C@H](C(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 27837230 SQUGVPLRLRZKIQ-XLIONFOSSA-N 322.452 3.823 0 40 DHAB Cc1ccccc1Cn1nc(C)c(NC(=O)C2CCCC2)c1C 27922034 KZVOOKNRVIJQRT-UHFFFAOYSA-N 311.429 3.985 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ncccc3C)cc2)n1 27970401 NMJZROGPIDSQJW-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB CC(C)(C)c1nc(CSc2ncnc3sccc23)no1 28010509 FKOHRPFDTGORCU-UHFFFAOYSA-N 306.416 3.664 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C 32585467 HVFXWWCCXOIUCR-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB Cc1ccc(NC(=O)NCCCN(C)C2CCCCC2)cc1 32779520 LSAQUXOVAHEDLP-UHFFFAOYSA-N 303.450 3.771 0 40 DHAB CSc1cccc(NC(=O)c2cccc(C[S@@](C)=O)c2)c1 32865813 WXVZIGXBBDUOQS-NRFANRHFSA-N 319.451 3.539 0 40 DHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc(F)ccc1F 36397298 JUGVFDSBGOUFOB-JTQLQIEISA-N 309.743 3.979 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)OCO2 38752206 KZEIPMWMSBSPCR-HNNXBMFYSA-N 313.353 3.520 0 40 DHAB C[C@@H](Nc1ccc2c(c1)OCCCO2)c1nc(C(C)(C)C)no1 40494000 YTQAJKXGCPAAFP-LLVKDONJSA-N 317.389 3.702 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)N[C@H](C)[C@@H](C)CC)cc1 48324602 YPPKPIZURXQWGF-UONOGXRCSA-N 305.418 3.599 0 40 DHAB Cc1nc(C)c([C@H](C)NC(=O)Nc2cccnc2Cl)s1 49210694 GDVQXNWIVDMRRP-QMMMGPOBSA-N 310.810 3.691 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccccc2)c1C 57358595 RVPXSGUXELMJHK-AWEZNQCLSA-N 312.413 3.537 0 40 DHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cnc(C)s2)cc1 58007779 FIYAFMMPPNGNIX-HNNXBMFYSA-N 316.426 3.828 0 40 DHAB O=C(c1c(Cl)nc2ccccn12)N(C1CCCCC1)C1CC1 58424211 XSTRBABEWRVTIT-UHFFFAOYSA-N 317.820 3.925 0 40 DHAB Cc1cccc(OCCCC(=O)OCCCc2ccncc2)c1 68375154 WHXFOTWUYZHKTP-UHFFFAOYSA-N 313.397 3.725 0 40 DHAB O=[S@](Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCO2 69460531 GKKSALXZGRNWAH-FQEVSTJZSA-N 308.786 3.518 0 40 DHAB CCN(C)c1ccccc1NC(=O)NCc1cc(C(C)C)no1 71907971 OLTSDASURXHGKH-UHFFFAOYSA-N 316.405 3.576 0 40 DHAB CCc1ncc(CNC2(c3ccc(F)cc3)CCOCC2)s1 79053234 ZKRQTSVPAQFRNX-UHFFFAOYSA-N 320.433 3.640 0 40 DHAB Cn1ccc2c(NC(=O)CCc3ccc4c(c3)CCO4)cccc21 79490450 CTZQGJOOGPHAEV-UHFFFAOYSA-N 320.392 3.685 0 40 DHAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccoc1 85474157 QTBWTJCESFKZJD-UHFFFAOYSA-N 317.391 3.564 0 40 DHAB O=C(Nc1ccc(CCO)cc1)[C@H]1CCCC[C@@H]1C(F)(F)F 89787514 CGUALFYHKKBPFU-KBPBESRZSA-N 315.335 3.529 0 40 DHAB Cc1nc(COC(=O)CCCc2c[nH]c3ccccc23)cs1 95351443 SHIBZMHFGKFHLP-UHFFFAOYSA-N 314.410 3.999 0 40 DHAB C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NC1CCOCC1 95400278 NIUDRHVNRPHDCP-HNNXBMFYSA-N 316.445 3.738 0 40 DHAB CO[C@H]1CCN(c2ccc(NC(=O)Nc3ccccc3)cc2)C1 96122318 QQODCLOZURNWND-KRWDZBQOSA-N 311.385 3.556 0 40 DHAB Cc1cccc([C@H]2CCCCCN2C(=O)c2csnn2)c1 96410259 UGAPQZBTKLXFDO-OAHLLOKOSA-N 301.415 3.604 0 40 DHAB Cc1noc(C)c1C(=O)N(CC(F)F)c1cccc(Cl)c1 96460954 DGXDJTMKOFRJMY-UHFFFAOYSA-N 314.719 3.857 0 40 DHAB C[C@H](NCC[C@H](C)[S@](C)=O)c1cc2cc(Cl)ccc2o1 97034752 RZYBPQYEYUABPM-SULUTDIPSA-N 313.850 3.894 0 40 DHAB C[S@@](=O)Cc1ccccc1NC(=O)c1coc2ccccc12 97139751 FABZSPRKRWRUKD-QFIPXVFZSA-N 313.378 3.564 0 40 DHAB CC[S@@](=O)[C@@H]1CCC[C@H](NC[C@H](C)CCc2ccccc2)C1 107544305 VCEGBPKEJZPIMG-TXXUCJGISA-N 321.530 3.925 0 40 DHAB CC(C)n1c(Cl)nc2cc(C(=O)N[C@@H](C)C3CC3)ccc21 222540437 NBIZFPGKTKGPQP-JTQLQIEISA-N 305.809 3.799 0 40 DHAB CCOc1ccc(C(N)=O)cc1COc1ccc(Cl)c(C)c1 224539429 XPEPHNALLPGMIA-UHFFFAOYSA-N 319.788 3.725 0 40 DHAB O=C(Cc1cccc(Cl)c1)NCCOc1ccccc1Cl 224806024 ORDXJWHKOLPPJU-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB CCOC(=O)c1ccc(NC(=S)NC(C)(C)C)cc1Cl 225275098 XLQKFTDOQGCIHJ-UHFFFAOYSA-N 314.838 3.602 0 40 DHAB COc1ccc(CCC(=O)N2c3ccccc3C[C@H]2C)cc1C 225724240 JEQKTKCQDIIYIK-OAHLLOKOSA-N 309.409 3.914 0 40 DHAB CCc1nc2cc(C(=O)Nc3cccc(C(C)=O)c3)ccc2n1C 225897000 FVIKSXLUODOKAX-UHFFFAOYSA-N 321.380 3.591 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 257229788 FZMFVWAWOAYUEK-AWEZNQCLSA-N 323.396 3.793 0 40 DHAB CC(=O)N1CCC[C@H](c2ccc(-c3nc(C)c(C)s3)cn2)C1 257329777 XLNAFXHJKIRSQT-HNNXBMFYSA-N 315.442 3.548 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)nc1)c1cccc(Cl)c1 390830169 JFGFMYLZBSGYBF-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB Cc1nc(C2(NC(=O)[C@@H](C)CC3CCCC3)CCCCC2)no1 523679698 QEGOFRVYLJIMSL-ZDUSSCGKSA-N 319.449 3.870 0 40 DHAB O=C(O)c1cc(C2CC2)nc2c(F)ccc(Br)c12 1857793859 KRXOUYROTUXKBU-UHFFFAOYSA-N 310.122 3.712 0 40 DHAB O=C(Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1 64825 ZUQHVMOXVLNALX-UHFFFAOYSA-N 321.351 3.700 0 40 DHAB COc1ccccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1 488033 PPGHVBQKPMYGQU-UHFFFAOYSA-N 321.380 3.767 0 40 DHAB biogenic Cc1ccc(-c2nc3sc4c(c3c3nnnn23)CCCC4)cc1 554983 AKZABCXBFKWMID-UHFFFAOYSA-N 321.409 3.588 0 40 DHAB CC[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1 1469200 WEJUKMLGDONMRQ-AWEZNQCLSA-N 310.235 3.783 0 40 DHAB Cc1ccccc1OCCC(=O)N[C@@H]1CCCc2ccccc21 2636249 GDGMYVSECPSECA-GOSISDBHSA-N 309.409 3.958 0 40 DHAB Cc1noc(C)c1COC(=O)CCc1nc2ccccc2s1 2660649 FSJOPIGMDBUYEB-UHFFFAOYSA-N 316.382 3.577 0 40 DHAB O=C(c1ccccc1COc1ccc(F)cc1F)N1CCCC1 2728929 QIHYQBGTKGWPKH-UHFFFAOYSA-N 317.335 3.780 0 40 DHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 3423000 GDIKMOSPVNFVED-UHFFFAOYSA-N 311.278 3.817 0 40 DHAB CSc1ncccc1C(=O)N[C@H](C)CCc1ccccc1 3448421 KIPHVPZAMSRTGZ-CYBMUJFWSA-N 300.427 3.555 0 40 DHAB CCc1nnc(NC(=O)c2csc3c2CC[C@@H](C)C3)s1 4186510 XOBODSXIUJMSFJ-MRVPVSSYSA-N 307.444 3.539 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c1 4725724 LUIOTNNQIYSPBS-KRWDZBQOSA-N 324.380 3.597 0 40 DHAB Fc1cccc(-c2nnn(Cc3ccccc3C(F)(F)F)n2)c1 5089112 FLGWBIUUIKDREZ-UHFFFAOYSA-N 322.265 3.546 0 40 DHAB Cc1cc(C)cc(-c2nnc(S[C@H]3CCCCC3=O)o2)c1 5219278 PUQCQWPXGOVJHO-AWEZNQCLSA-N 302.399 3.957 0 40 DHAB COc1cc(NC(=O)Cc2ccccc2Cl)cc(OC)c1 5681708 IPCRBVNGJNWGPL-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccnc1Cl 6321383 PNADAWHDCBLSIE-UHFFFAOYSA-N 304.821 3.681 0 40 DHAB Fc1ccc(C2=NN=C(NCc3ccccc3)SC2)cc1F 6859858 BQZUCAQFVDXSFX-UHFFFAOYSA-N 317.364 3.562 0 40 DHAB CCCN(CCC)C[C@H](O)CO[C@H]1CCCc2ccccc21 6937390 KMRCGKPATBIVGO-HKUYNNGSSA-N 305.462 3.564 0 40 DHAB CCOc1ccc(/N=C/c2cc(C(=O)O)ccc2OCC)cc1 6962357 JHKKQUSKDCYBKT-XDHOZWIPSA-N 313.353 3.933 0 40 DHAB Cc1cc(C(=O)Nc2nc3c(C(C)C)cccc3s2)n(C)n1 9122666 UJMYOEGQWCQJKW-UHFFFAOYSA-N 314.414 3.714 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ccccc1 9895879 WIVKJCFYFPABSG-SFHVURJKSA-N 319.408 3.859 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1F 11058709 SNBKKNNVESYXJR-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB Cn1/c(=N\C(=O)c2cccs2)sc2cccc(Cl)c21 12180818 RZDAGZAPQJNLGN-FYWRMAATSA-N 308.815 3.696 0 40 DHAB Cc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 12797887 KGLFQCWHRCIPRE-UHFFFAOYSA-N 303.745 3.672 0 40 DHAB O=C(NCCc1cccs1)c1csc(-c2ccsc2)n1 12932674 LIALNORSCZEEQZ-UHFFFAOYSA-N 320.464 3.906 0 40 DHAB O=C(Nc1ccncc1)c1ccc(NC(=O)c2cccs2)cc1 17585490 MSUVJUDQTWUHEA-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20138794 JNKMGHOZICGDHQ-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB CSc1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)cc1 20798088 TUFYZEBUKGEWCI-UHFFFAOYSA-N 319.389 3.659 0 40 DHAB CCN(Cc1cccs1)Cn1c(=O)oc2cc(Cl)ccc21 23703030 CVAQFLAPBUDRLL-UHFFFAOYSA-N 322.817 3.789 0 40 DHAB COCCCNC(=O)c1cc2sc3ccccc3c2s1 24274070 KTIKJDBBMYXETB-UHFFFAOYSA-N 305.424 3.882 0 40 DHAB C[C@@H](NC(=O)C1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 27304944 NFABSMMXTDDLCA-CYBMUJFWSA-N 314.429 3.793 0 40 DHAB CN(Cc1ccsc1)c1nn2cc(C(C)(C)C)nc2s1 32908990 WCGKQWZUQQNHEG-UHFFFAOYSA-N 306.460 3.786 0 40 DHAB CC(C)[C@@H](NC(=O)CN1C[C@@H](C)C[C@@H](C)C1)c1cccs1 34870149 GHQSAUPEWUARBG-JKIFEVAISA-N 308.491 3.539 0 40 DHAB CCC(=O)Nc1cnc(C)n1-c1nc(-c2ccccc2)cs1 35682918 JTYPXURPZWWBAV-UHFFFAOYSA-N 312.398 3.653 0 40 DHAB Cc1ccc(CN(C)C(=O)Cc2ccc(-n3cccc3)cc2)o1 40079520 GTKRAXGYKVYBRQ-UHFFFAOYSA-N 308.381 3.580 0 40 DHAB Cc1ccc(C)c(NC(=O)NCCCCN2CCC[C@H](C)C2)c1 45948014 UYOIDSJLDKQYOB-INIZCTEOSA-N 317.477 3.937 0 40 DHAB FC(F)(F)c1cnc(N[C@@H]2CCN3CCCC[C@H]23)c(Cl)c1 47975376 MWUCWAYOQTVIDR-VXGBXAGGSA-N 319.758 3.793 0 40 DHAB CC(=O)Nc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1 48344049 WQHBYFFQFQNYMD-UHFFFAOYSA-N 320.348 3.655 0 40 DHAB CCCn1cc(NC(=O)c2oc3ccccc3c2C)ccc1=O 48368389 DIAHLZGFJFPVFH-UHFFFAOYSA-N 310.353 3.565 0 40 DHAB O=C(CCc1ccccc1O)Nc1cccc(N2CCCCC2)c1 55356691 UMEVBRXUNMIHEI-UHFFFAOYSA-N 324.424 3.954 0 40 DHAB O=C(CCc1ccccc1F)Nc1ccc2oc(=O)ccc2c1 57994003 ZAIQJKYVEXWOAD-UHFFFAOYSA-N 311.312 3.503 0 40 DHAB Cc1nn(C)c(Oc2ccccc2)c1CNCc1cccs1 58305015 JXXUIADVBNWMGD-UHFFFAOYSA-N 313.426 3.872 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)N2CCC(C)CC2)cc1 61227901 NTXQDJKZUDGNMQ-UHFFFAOYSA-N 305.378 3.519 0 40 DHAB Cn1cc(CCC(=O)N(Cc2ccccc2)c2ccccc2)cn1 65588159 IDKSFOIHEAYHAF-UHFFFAOYSA-N 319.408 3.586 0 40 DHAB COc1ccc(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3)C2)cc1 69701715 AVVAUGMMDLNEKV-RDJZCZTQSA-N 324.424 3.512 0 40 DHAB O=C1OCCN1CCc1nc(-c2ccc3ccccc3c2)cs1 70004263 ZAYPSOIVXOFYIX-UHFFFAOYSA-N 324.405 3.958 0 40 DHAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H]1C1CCCCC1 71819904 LQOZWXRFHBFACD-SFHVURJKSA-N 324.424 3.713 0 40 DHAB COc1ccc(Nc2nc(C(=O)NC3CCCC3)cs2)cc1 72293095 CVRKRVVSCDRBFP-UHFFFAOYSA-N 317.414 3.568 0 40 DHAB Fc1cccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1F 72300001 KPTXBTCAFZCXFP-ZDUSSCGKSA-N 319.355 3.605 0 40 DHAB C[C@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2ccncc2)cc1 74296779 CACJXTSCEAIBTJ-ZDUSSCGKSA-N 321.355 3.774 0 40 DHAB Cc1nn(-c2ccccc2)c2c1[C@H]1c3ccccc3OC[C@@H]1CO2 75149065 YTTQVUATZFHJTL-AUUYWEPGSA-N 318.376 3.714 0 40 DHAB Cc1noc(C)c1CN(C)C1CCN(c2ccc(F)cc2)CC1 78950163 YPAZFXLSGFAQNT-UHFFFAOYSA-N 317.408 3.531 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 80344663 DSSMSQLNKGTJJP-HZPDHXFCSA-N 309.365 3.508 0 40 DHAB C[C@H](NCc1ccccc1OCCO)c1cc2ccccc2o1 95423122 MGRRBOOXDIUZEJ-AWEZNQCLSA-N 311.381 3.655 0 40 DHAB O=C(NC1CCCCCCC1)c1scnc1Br 95462460 VSKHAHIAXNRONZ-UHFFFAOYSA-N 317.252 3.748 0 40 DHAB COc1ccccc1[C@@H](C)CNC(=O)c1cc(C)sc1C 95959451 WPNUXGKIKASHDD-NSHDSACASA-N 303.427 3.907 0 40 DHAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C1CCOCC1 95964670 VUYDDPCJCOROBQ-NILFDRSVSA-N 308.805 3.802 0 40 DHAB C[C@H]1CCN(C(=O)c2ccnc(Cl)c2)c2ccccc2N1 96424003 HQLXAYJXDOREEK-NSHDSACASA-N 301.777 3.586 0 40 DHAB C[C@H](CNC(=O)N[C@H](C)c1ccccn1)Sc1ccccc1 96437628 CDPSDRUVUNYBNR-ZIAGYGMSSA-N 315.442 3.623 0 40 DHAB COc1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 96586348 JJRMUNCOOFYQSI-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB COC(=O)c1cccc(NC(=O)CCc2ccc(C)c(C)c2)c1 96621759 FULAGDGVLZUVHL-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB CSc1nnc(Nc2cc(=O)c3ccc(C)c(C)c3o2)s1 102596305 WOUZXBFCXRGTPY-UHFFFAOYSA-N 319.411 3.727 0 40 DHAB Cc1cc(Cl)ccc1CN1CCC(OC2CCOCC2)CC1 136190078 ABHYGDVQUKXNEO-UHFFFAOYSA-N 323.864 3.808 0 40 DHAB CCC(CO)(COCc1ccccc1)COCc1ccccc1 167803133 CWRGBZUQXZLSCN-UHFFFAOYSA-N 314.425 3.809 0 40 DHAB O[C@@H](CSCc1ncc(Cl)cc1Cl)C(F)(F)F 191153305 LNXFNFPRCLITKL-QMMMGPOBSA-N 306.136 3.545 0 40 DHAB COc1cccc(C(=O)NCc2cncc(-c3ccsc3)c2)c1 206942618 LEDDVDDOKRXCBM-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB CO[C@@H](CNC(=O)c1cccc(F)c1)c1ccc(Cl)s1 225700201 NNVYOKKTWYOLLP-NSHDSACASA-N 313.781 3.658 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)c(C)cc2N)c1 226358968 OWCMAMYINHSEQC-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Cc1cn(C)c([C@H]2CCN(Cc3cccc(OC(C)C)c3)C2)n1 257210507 BUYJOULVWLADLA-KRWDZBQOSA-N 313.445 3.505 0 40 DHAB COc1cc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)ccc1F 257290277 QCGHSYCIPANMMQ-QLXYJTPWSA-N 308.393 3.707 0 40 DHAB Cc1ccnc(NC(=O)c2ccoc2C2CC2)c1Br 585125373 PQJVLOHIHFIJQD-UHFFFAOYSA-N 321.174 3.875 0 40 DHAB O=C(c1ccc(F)c(F)c1)N1CCc2sc(Cl)cc2C1 622734575 AFQQZGYAMZRIBL-UHFFFAOYSA-N 313.756 3.878 0 40 DHAB Cc1cncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)n1 1889138920 KDRJGQHSISERBT-UHFFFAOYSA-N 313.304 3.649 0 40 DHAB CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C)cc1 503661 ZNRYTMFEGKNVBO-UHFFFAOYSA-N 302.399 3.884 0 40 DHAB O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccco1 798261 XRPPCBRVBFSZKT-UHFFFAOYSA-N 313.334 3.959 0 40 DHAB CCOc1ccc(NCc2cc3cc(C)ccc3[nH]c2=O)cc1 1266915 DJGYCIYOUWDRCL-UHFFFAOYSA-N 308.381 3.847 0 40 DHAB C[C@H](Oc1c(Cl)cccc1Cl)c1ccnc2ncnn12 1404242 KQQQYNPEJRVKFN-QMMMGPOBSA-N 309.156 3.571 0 40 DHAB O[C@@H](COc1ccc(C2CCCCC2)cc1)CN1CCCCC1 1470097 OLCNTOSCOMSZAV-LJQANCHMSA-N 317.473 3.960 0 40 DHAB Cc1ccc2c(c1)nnn2CNc1ccc(Br)cc1 3159192 YPMNKRACCPMQJQ-UHFFFAOYSA-N 317.190 3.572 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 3230820 ZVJQBRXUVCZMRE-UHFFFAOYSA-N 315.394 3.666 0 40 DHAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCCCC1 3571839 HKAYEKUNHNEOOR-SFHVURJKSA-N 312.388 3.991 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1 3908295 JHOIIHREEAXVBM-GFCCVEGCSA-N 308.337 3.538 0 40 DHAB C[C@@H](Cc1ccccc1)n1cnc2c([nH]c3ccc(F)cc32)c1=O 4065553 LJVNNKIKRDBZBZ-LBPRGKRZSA-N 321.355 3.821 0 40 DHAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NC1CCCCC1 4616453 TYWNCLFMSGUBCD-OAHLLOKOSA-N 310.482 3.548 0 40 DHAB O=c1[nH]c(NC2CCCCC2)nc2sc3c(c12)CCCC3 4643215 VPPIIDNRSOUYGK-UHFFFAOYSA-N 303.431 3.608 0 40 DHAB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3o2)[C@@H]1C 5034368 IXSIDIMNOWZTKU-UPJWGTAASA-N 318.442 3.861 0 40 DHAB Cc1cccc(C)c1Nc1nc(NC(C)C)nc(NC(C)C)n1 5255735 XQMIEWCFOXKRRY-UHFFFAOYSA-N 314.437 3.873 0 40 DHAB COCCn1cc(NC(=O)N2CCC(C)CC2)c2ccccc21 5266248 BYDKYSUPBFUVNN-UHFFFAOYSA-N 315.417 3.552 0 40 DHAB Brc1ccc2oc3c(N4CCCC4)ncnc3c2c1 5277905 HNWZTLSCLUHCSB-UHFFFAOYSA-N 318.174 3.739 0 40 DHAB CCOC(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1 5783294 PGPFOZCTFRIUMI-UHFFFAOYSA-N 316.744 3.962 0 40 DHAB COc1ccc(CSc2nc(-c3ccccc3)n[nH]2)cc1F 6178624 LPIVAASJEXWYOR-UHFFFAOYSA-N 315.373 3.912 0 40 DHAB O=S(=O)(Nc1ccccc1F)c1ccccc1C(F)(F)F 6528668 WIKJJOTYJKSONV-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 6865381 OGUYGRZBBFDNHW-UHFFFAOYSA-N 310.397 3.633 0 40 DHAB CC[C@@H](C)O[C@@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O 6933931 LRVJQCMQTQIIDZ-VLIAUNLRSA-N 322.408 3.926 0 40 DHAB CCc1nnc(NC(=O)[C@@H](CC)Nc2ccc(C)c(C)c2)s1 7460217 LOGIBRMIZRZWEE-CYBMUJFWSA-N 318.446 3.547 0 40 DHAB Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1 7637838 HCAIVFHZANFVPN-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 7923702 PMNRIGZZPGUKIB-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB CN(C)[C@@H](CNc1ncnc2cc(Cl)ccc12)c1ccco1 8073587 TZJNDWCMAVLIIK-AWEZNQCLSA-N 316.792 3.591 0 40 DHAB CCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2F)o1 8339312 CSGRMKDMEBZOTE-UHFFFAOYSA-N 318.377 3.646 0 40 DHAB Cc1cccc2cc(-c3noc(-c4ccccc4F)n3)c(=O)[nH]c12 9593206 MNBCYAKDQZCRAD-UHFFFAOYSA-N 321.311 3.693 0 40 DHAB CC(C)N(C(=O)COc1cccc2c1CCC2=O)c1ccccc1 10197591 SZMRGKSFRAKBSL-UHFFFAOYSA-N 323.392 3.636 0 40 DHAB Cc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(C)c1 10641826 NIQPXRARNWXXRB-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CCCc1n[nH]c(SCc2ncc(-c3ccc(F)cc3)o2)n1 11468684 RWIXSMPMAMDHAS-UHFFFAOYSA-N 318.377 3.844 0 40 DHAB OC1=NC(=S)S/C1=C\c1ccc(Br)cc1 12689715 ZVYBZARCCHWNBP-YVMONPNESA-N 300.202 3.778 0 40 DHAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3)n2)C1 12992791 YDVKSJSAZSJAFI-CYBMUJFWSA-N 315.442 3.627 0 40 DHAB S=C(Nc1ccc(Br)c(Cl)c1)NC1CC1 13840883 XQMVCLUATOKYJL-UHFFFAOYSA-N 305.628 3.551 0 40 DHAB C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 14064255 YSTOWDPMRBWWHX-LLVKDONJSA-N 303.793 3.602 0 40 DHAB CC(C)(C)c1ccccc1NS(=O)(=O)Cc1ccccc1 14256383 LEWOYPYGQKNYJR-UHFFFAOYSA-N 303.427 3.926 0 40 DHAB Cc1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1 20055980 RSKKXMTWQYKJOP-UHFFFAOYSA-N 319.202 3.808 0 40 DHAB COc1ccc(C)cc1NC(=O)c1noc2c1CCCCC2 20357204 ZGTIBGZLBHSZCI-UHFFFAOYSA-N 300.358 3.513 0 40 DHAB CCOCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 20495583 SKULVTCYNMXFMX-SFHVURJKSA-N 315.413 3.540 0 40 DHAB Cc1ccc(C)c(C(=O)NCC2(N(C)C)CCCCCC2)c1 21200560 VKLWWBHNUHPMDN-UHFFFAOYSA-N 302.462 3.688 0 40 DHAB C[C@@H]1CN(Cc2c(-c3ccccc3)nc3ccccn23)C[C@@H](C)O1 22240595 JBHOFYDBNXGZBK-HZPDHXFCSA-N 321.424 3.611 0 40 DHAB O=C(NCCc1ccc(N2CCCCC2)cc1)c1ccccc1 23002122 RQFIZNGFXGTVPA-UHFFFAOYSA-N 308.425 3.649 0 40 DHAB Cc1cccc(C(=O)NCc2ccccc2CN2CCCC2)c1 24189816 JQXCJUMQWMDHMU-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccco1 25464886 WNRIATDDXRPINN-SNVBAGLBSA-N 315.760 3.814 0 40 DHAB CC(=O)c1c(C)cc(C)c(CSc2cccc[n+]2[O-])c1C 26093522 HODHAZPCOOGCHB-UHFFFAOYSA-N 301.411 3.740 0 40 DHAB COc1cc(OC)cc(C(=O)N2CCc3sccc3[C@H]2C)c1 30547484 YXHIRVATLINPFL-LLVKDONJSA-N 317.410 3.525 0 40 DHAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1cccnc1 32074035 ZNBRJEXWRXSKFA-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB C[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)s1 32825799 RNUCBTKBMKEQJV-QMMMGPOBSA-N 319.810 3.580 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3sccc3C2)o1 32883755 DDMJDDLSYJAUHP-SWLSCSKDSA-N 315.438 3.982 0 40 DHAB O=C(Nc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 36140922 NCFQNDUTXQNLEY-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)NC[C@@H](O)c1ccccc1F 40099219 UAGFGPNQQSMFNP-OAHLLOKOSA-N 322.767 3.643 0 40 DHAB O=C(Nc1cccc2ccccc12)N(C[C@H]1CCOC1)C1CC1 43157524 AZLYOIVJSRZWEU-CQSZACIVSA-N 310.397 3.873 0 40 DHAB Cc1ccc(-c2nnc(CN(C)c3ccc(F)c(F)c3)o2)cc1 55021707 WOJITVQHQNLXGU-UHFFFAOYSA-N 315.323 3.960 0 40 DHAB Cc1nccc(-c2cccc(NCc3nc(C(C)C)no3)c2)n1 55836912 NPCZKXUVYYELCI-UHFFFAOYSA-N 309.373 3.571 0 40 DHAB COC(=O)c1c(C)nn(-c2nc3c(C)ccc(C)c3s2)c1C 57351384 XEUJWLJGZGCICP-UHFFFAOYSA-N 315.398 3.502 0 40 DHAB CCc1cccc(C)c1NC(=O)NC[C@@H](O)c1cccc(F)c1 58325048 ONMKMFUWLCYCCJ-MRXNPFEDSA-N 316.376 3.552 0 40 DHAB c1ccc(Cn2ncc3c2CCC[C@@H]3NCc2cscn2)cc1 58432883 FKVYUPHANAHTBM-KRWDZBQOSA-N 324.453 3.555 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1 60906801 JFWMABNPFDAPFJ-OAHLLOKOSA-N 315.438 3.504 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccc(NC2CCOCC2)cc1 69535198 RLLOWTHRRCCUKK-IZZDOVSWSA-N 322.408 3.929 0 40 DHAB CC[C@H](O)CN(Cc1nnc(-c2ccccc2)o1)c1ccccc1 71185728 BAHPOMIRFYXJMP-KRWDZBQOSA-N 323.396 3.514 0 40 DHAB COc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1OC 71837149 OYPLUFLQFPQECS-INIZCTEOSA-N 301.361 3.620 0 40 DHAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)n1 71870878 OSVGDHMGSQEKCZ-INIZCTEOSA-N 323.396 3.723 0 40 DHAB Cc1csc([C@@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n1 72298765 BLKNUOLTFNCIRH-GFCCVEGCSA-N 319.430 3.583 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H](c1nccs1)C1CC1 74708930 LBYKXNNYKYDRAH-IAQYHMDHSA-N 313.426 3.755 0 40 DHAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1 79331137 DVDUARNORKRFKA-GOSISDBHSA-N 324.380 3.964 0 40 DHAB O=C(NC1(c2ccccc2)CCC1)C1=NO[C@H](c2ccccc2)C1 84525308 CNOHSMIBWUOIHF-SFHVURJKSA-N 320.392 3.700 0 40 DHAB Cc1ncsc1CN[C@@H](C)Cc1nc2ccccc2s1 95421968 BBMYMHSUWPDQSA-JTQLQIEISA-N 303.456 3.782 0 40 DHAB CC(C)CC[C@H](C)NC(=O)c1ccc(Br)c(O)c1 95432803 YULPWBKIPJBLSW-JTQLQIEISA-N 314.223 3.709 0 40 DHAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Sc1nc(C)c(C)o1 95961160 RAEPBLQCNFYILE-SKDRFNHKSA-N 322.434 3.578 0 40 DHAB CO[C@](C)(CNC(=O)Nc1cccs1)c1ccccc1F 96123651 FQSKHXJKMBPHCY-OAHLLOKOSA-N 308.378 3.571 0 40 DHAB CCCc1ncc(C(=O)N(C)c2ccc(F)cc2OC)s1 96425284 LEJQNLBPYNSPMB-UHFFFAOYSA-N 308.378 3.520 0 40 DHAB C[C@H](c1cccs1)[S@@](=O)Cc1ccc(-n2cccn2)cc1 195562675 BONRQSPPWFREOJ-ASSNKEHSSA-N 316.451 3.944 0 40 DHAB O=C(NCCCOC1CCCC1)c1ccc2c(c1)CCCC2 195744232 WIPAIIHTVNRXPP-UHFFFAOYSA-N 301.430 3.645 0 40 DHAB Cc1ccc(CCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C 225018712 KPNWTXZBYIAPEI-UHFFFAOYSA-N 324.424 3.577 0 40 DHAB FC(F)(F)Oc1ccc(Br)c2nc(Cl)[nH]c12 258837281 RJMGWWSYVVFMQN-UHFFFAOYSA-N 315.476 3.877 0 40 DHAB CC(=O)c1cn([C@@H](C)C(=O)NCc2ccccc2)c2ccccc12 409206384 NQEDBFVRXNHDNR-AWEZNQCLSA-N 320.392 3.721 0 40 DHAB O=C(O)c1cccc(-c2cccc(C(=O)C3CCOCC3)c2)c1 568395725 VKIZPWWGXUMMNF-UHFFFAOYSA-N 310.349 3.661 0 40 DHAB CCOCC[C@H]1CCOC12CCN(Cc1cccs1)CC2 585105418 WIBDREZXBBEBKB-HNNXBMFYSA-N 309.475 3.546 0 40 DHAB COC1(COc2ccc(C)cc2C)CCN(C2CCC2)CC1 585280739 ADWNXVOHPWJGMA-UHFFFAOYSA-N 303.446 3.716 0 40 DHAB CC(=O)N[C@]1(C)C[C@H](Cc2ccccc2)O[C@@H]2C[C@H](C)CC[C@H]21 1848354270 SAANYLKPWOWXRK-PBOLBBRVSA-N 315.457 3.718 0 40 DHAB CC(=O)c1ccccc1OC(=O)c1cc(Cl)nc(Cl)c1 159475 GGBDTKQGXBFJKI-UHFFFAOYSA-N 310.136 3.810 0 40 DHAB Brc1ccccc1-c1nnc(-c2ccncc2)o1 177545 FVJVDTRIKYOZTE-UHFFFAOYSA-N 302.131 3.561 0 40 DHAB O=C1C=C(c2ccc(Cl)cc2)C(=O)N1c1ccccc1Cl 206939 HWIXOZSUGZTBOU-UHFFFAOYSA-N 318.159 3.950 0 40 DHAB CCOC(=O)c1c(C)oc2ccc(OC(=O)C(C)(C)C)cc12 407131 YIGSNEBRAJIRBP-UHFFFAOYSA-N 304.342 3.869 0 40 DHAB biogenic COc1ccc(-c2c[n+](Cc3ccc(C)cc3)c3n2CCC3)cc1 537509 ZFCFLNCHMATVOD-UHFFFAOYSA-N 319.428 3.754 0 40 DHAB COc1ccc(C(=O)Nc2ccc(-c3noc(C)n3)cc2C)cc1 1428888 NMWIXMQMMNNNQR-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCCOc1cc(C)c(C(=O)O[C@@H](C)CN2CCCC2)c(C)c1 1640869 ZVYFJIBPPYCIQV-INIZCTEOSA-N 319.445 3.733 0 40 DHAB CC(C)CC[C@@]1(CCN2C(=O)CCC2=O)CCO[C@@H](C(C)C)C1 2111813 ANCPIMCKINDVSO-VQIMIIECSA-N 323.477 3.783 0 40 DHAB biogenic COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)cc(C)c1 2654971 NDWNNZNGQQPMNH-UHFFFAOYSA-N 312.365 3.872 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2Cl)c1 3555945 NVXJXFUVZXCMFS-UHFFFAOYSA-N 317.772 3.616 0 40 DHAB COc1cc(CN[C@@H](C)c2ccccc2)cc(OC)c1OC 4269835 JCIFLHBRVKCNCP-ZDUSSCGKSA-N 301.386 3.563 0 40 DHAB Cc1ccc(-c2cn3c4ccccc4nc3n2CCCO)cc1 4785554 RREZWESMYYHPDY-UHFFFAOYSA-N 305.381 3.647 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSC1=NCCS1 5445670 HIMNLMQMSZFMPO-JHJVBQTASA-N 315.504 3.826 0 40 DHAB Cc1c(-c2nc3ccccc3[nH]2)c(N)n(Cc2ccco2)c1C 5452361 CTGSQJBCGCSAQA-UHFFFAOYSA-N 306.369 3.872 0 40 DHAB O=c1oc2c(c(O)c1Cc1ccccc1)-c1ccccc1CC2 6557632 RGKPWEAYRIQIOT-UHFFFAOYSA-N 304.345 3.702 0 40 DHAB COC[C@H](C)NC(=S)Nc1ccc(Oc2ccccc2)cc1 6790369 ZZCRBSUGHQIMAZ-ZDUSSCGKSA-N 316.426 3.800 0 40 DHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(Cl)s2)c1 6820301 YHSZOXPITPQSRY-UHFFFAOYSA-N 301.820 3.819 0 40 DHAB S=C(Nc1ccc(Cl)cc1)n1nnc2cc(Cl)ccc21 6926433 VAAGQYMGPZDUIC-UHFFFAOYSA-N 323.208 3.983 0 40 DHAB CC(C)c1ccccc1-n1ccnc1S[C@@H](C)C(=O)N(C)C 6933584 QAOGFQUTIMLDDX-ZDUSSCGKSA-N 317.458 3.565 0 40 DHAB COc1cc2ccccc2cc1C(=O)NCCc1ccc(F)cc1 7345145 RAQFUSJGUJHPNB-UHFFFAOYSA-N 323.367 3.960 0 40 DHAB Cc1ccc(C)n1-c1sccc1C(=O)Nc1nccs1 7787188 FSCYSKVQJFLURT-UHFFFAOYSA-N 303.412 3.864 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 7965215 WHTXOGMATGNZOV-UHFFFAOYSA-N 324.302 3.508 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OC 8078858 IWFQUPJOFDZPQW-UHFFFAOYSA-N 303.333 3.794 0 40 DHAB COC(=O)c1cc(-c2ccco2)nc2onc(-c3ccco3)c12 8342524 DQTTZMJSLPKHSF-UHFFFAOYSA-N 310.265 3.529 0 40 DHAB CC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2C)nc1-c1ccccc1 8852507 CFYRWCDKEXWUSO-CABZTGNLSA-N 300.383 3.607 0 40 DHAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1 10441607 VMCQMWZTXISVKT-UHFFFAOYSA-N 311.381 3.743 0 40 DHAB COc1ccc(NC(=O)c2cc(-c3ccccc3)on2)c(OC)c1 11917156 UYCXZUHDPWGXKW-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB Cc1cc(CNCc2c[nH]nc2-c2cccs2)ccc1F 12530397 MJPOSYZXPAIURF-UHFFFAOYSA-N 301.390 3.876 0 40 DHAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1nc2ccccc2[nH]1 12539756 LLJKMZFSGXRZLM-SECBINFHSA-N 317.751 3.846 0 40 DHAB CCCc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 12603300 AFZNZTTZSBFMKW-UHFFFAOYSA-N 311.360 3.767 0 40 DHAB Cn1ccnc1SCC(=O)n1c2ccccc2c2ccccc21 13371060 DWXGLQKCAGBPHJ-UHFFFAOYSA-N 321.405 3.961 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)n[nH]2)cc1 14260591 KWZUSVALKGHINB-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB COc1ccccc1-c1noc(CNc2cccc(C(C)=O)c2)n1 14810537 NCCNOWUBCLWDFX-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(F)c1 15199058 QYTVTVNOTHPBEX-AWEZNQCLSA-N 305.349 3.932 0 40 DHAB CCc1ccc(-c2nc(C)c(C(=O)N3CCCC3)s2)cc1 17356398 RNKJARMSASMPNA-UHFFFAOYSA-N 300.427 3.917 0 40 DHAB CCc1cc(OCC(=O)NCc2cccs2)ccc1Cl 20822006 WUUJVGVJVABBJE-UHFFFAOYSA-N 309.818 3.659 0 40 DHAB O=C(Cc1coc2ccc3ccccc3c12)OC[C@@H]1CCCO1 24502817 SWTOXHKBOPMKGB-HNNXBMFYSA-N 310.349 3.851 0 40 DHAB C[C@@H](Sc1ccccc1)C(=O)NCCc1ccc(F)cc1 31866529 DIEAQFNAFJRREF-CYBMUJFWSA-N 303.402 3.665 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)s1 32029436 ZJHMUUVLLISVII-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB CCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 32900335 WSJALICJVBFFEU-AWEZNQCLSA-N 310.397 3.868 0 40 DHAB Cc1ccc(NC(C)(C)c2nnnn2-c2cccc(C)c2)cc1 35622752 XYNSVAGRAJBAHK-UHFFFAOYSA-N 307.401 3.626 0 40 DHAB COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1F 40119075 RTBVIHOFKKIVES-UHFFFAOYSA-N 312.344 3.887 0 40 DHAB Cc1cc(O[C@H]2CCCNC2)c(Br)c(C)c1Cl 42774438 BYPOTIALBSDIMO-JTQLQIEISA-N 318.642 3.850 0 40 DHAB CCC[C@@H](C)NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 48256215 TXQKUJOONPKLKQ-CYBMUJFWSA-N 305.422 3.900 0 40 DHAB O=C(Nc1nncs1)c1c[nH]cc1-c1ccc(Cl)s1 48990312 DMMYWNXGWWIFDB-UHFFFAOYSA-N 310.791 3.500 0 40 DHAB C[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 58014605 OBVOSGMCSKWHTK-GFCCVEGCSA-N 309.344 3.707 0 40 DHAB Cc1occc1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 60367641 VQFRNRAFLYUBBT-UHFFFAOYSA-N 308.341 3.503 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc1 67208100 VFRNRTBEIAAGSC-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB FC(F)(F)c1cccc(-c2cnc([C@@H]3CCCNC3)cn2)c1 72365066 LTULBAMBDVZDGB-GFCCVEGCSA-N 307.319 3.629 0 40 DHAB CCc1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1 72408078 PQFLRPKKJRAHCY-UHFFFAOYSA-N 321.384 3.550 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1cnc(Oc2ccccc2)nc1 75172110 NIKRVEKOCVBKJS-VAWYXSNFSA-N 317.348 3.921 0 40 DHAB CCC[C@H](C)C(=O)N1CCC(Nc2cccc(OC)c2)CC1 78832242 YCQRGASQPNTEEP-AWEZNQCLSA-N 304.434 3.534 0 40 DHAB CC(C)n1ccc2c(C(=O)NCCc3ccccn3)cccc21 79495270 YARSEJTZFIUBDX-UHFFFAOYSA-N 307.397 3.590 0 40 DHAB CC(C)N1CC[C@H](NC(=S)Nc2ccc3ccccc3c2)C1 84597460 UHFFVGYBJNOWAH-KRWDZBQOSA-N 313.470 3.609 0 40 DHAB O=C(O)Cc1cccc(NC(=O)Nc2ccccc2Cl)c1 87844844 GZLVCSWOKAELLF-UHFFFAOYSA-N 304.733 3.611 0 40 DHAB CN(Cc1ccccn1)c1cncc(SCc2ccccc2)n1 91456404 BCWHRWNNXLKURP-UHFFFAOYSA-N 322.437 3.800 0 40 DHAB Cn1cc(CNc2ccc(COCc3ccccc3)cc2)cn1 95429224 RJABAJBPOMXYFC-UHFFFAOYSA-N 307.397 3.749 0 40 DHAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1c(C)oc(C)c1C 95963844 KSSVTAJHINZTIK-KRWDZBQOSA-N 315.413 3.709 0 40 DHAB CO[C@H](CNC(=O)Nc1ccccc1C)c1ccc(C)s1 96104873 ZZODCRUGORAQEQ-CQSZACIVSA-N 304.415 3.874 0 40 DHAB Cc1nc(-c2cc(C(=O)NCC3CC3)c3ccccn23)cs1 96266744 XXPRTGJQARKBEM-UHFFFAOYSA-N 311.410 3.511 0 40 DHAB Cc1c(NC2CCN(Cc3ccncc3)CC2)cccc1N(C)C 97082140 ZAZPRHWSCYAQFQ-UHFFFAOYSA-N 324.472 3.533 0 40 DHAB COc1ccc(C2=C[C@@H](c3ccc(C)cc3)N3NN=NC3=N2)cc1 100589797 FJQYKMPHCPKIQF-KRWDZBQOSA-N 319.368 3.643 0 40 DHAB CC(C)CN(CC(C)C)C(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100749278 HNHQJGPQHLCTSC-OALUTQOASA-N 307.478 3.913 0 40 DHAB CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 100849278 ZTBMOOKXITVSAM-XNFNUYLZSA-N 309.409 3.805 0 40 DHAB Cc1noc(C)c1COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102343493 CYJVBZKPNXTMJF-QJRTVWDNSA-N 323.820 3.912 0 40 DHAB CCN(C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1 102860397 NKCJSBNYLQHKEH-JZFKGDSASA-N 313.441 3.761 0 40 DHAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1nc(-c2cccnc2)cs1 102923233 NILOXLYODCSATN-BZPMIXESSA-N 313.426 3.970 0 40 DHAB C[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)C1 222654888 QEZVPWKWXKCDKR-LSDHHAIUSA-N 301.430 3.591 0 40 DHAB CC[C@@H](C(=O)NCCc1ccc(C(C)=O)s1)c1ccccc1 225670699 PJCYIFOVNSHYLZ-MRXNPFEDSA-N 315.438 3.803 0 40 DHAB COc1ccccc1-c1nnc(SC(=O)c2cccs2)o1 408625020 WDKXWDIMPIYBIX-UHFFFAOYSA-N 318.379 3.739 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccoc1)c1csc2ccccc12 575621494 OUGVVVYCIXGFKL-HNNXBMFYSA-N 314.410 3.527 0 40 DHAB O=C(c1ccc2ncsc2c1)N1CC[C@@H](c2ccsc2)C1 675008451 ZZLYWHBBSWHXQS-GFCCVEGCSA-N 314.435 3.988 0 40 DHAB Cc1ccc(C(=O)O)c(C(=O)Nc2nc3ccccc3s2)c1 53228 SPAPZNDSAFQDPD-UHFFFAOYSA-N 312.350 3.555 0 40 DHAB O=C1C[C@H](c2cc(Cl)cc3c2OCOC3)Oc2ccccc21 64428 ATMAPKQGVIOYHY-MRXNPFEDSA-N 316.740 3.913 0 40 DHAB biogenic O=C(COC(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1 381711 PXGOUCYSIHUETD-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB CC(C)=CCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 523637 VPCCMLGDZXZDKH-JTQLQIEISA-N 313.423 3.714 0 40 DHAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 993402 BNLNVHRZTMRHNS-INIZCTEOSA-N 323.392 3.516 0 40 DHAB CN(C(=O)OCc1ccccc1)[C@@H](CC(=O)O)C1CCCCC1 2512025 GPHPUDHRCUNEMN-INIZCTEOSA-N 319.401 3.679 0 40 DHAB O=C(c1ccc(F)cc1F)c1ccccc1CN1CCCC1 2515585 DCJLKQSQWINJMH-UHFFFAOYSA-N 301.336 3.792 0 40 DHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2)cc1OC 3296424 ISQGFCBAQDFMFW-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(OC)c(Cl)c1 3407471 ZNEFHNVOTOUZHU-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cccc3c(O)cccc23)cc1 3991809 DWKIRPXJXGHLCU-UHFFFAOYSA-N 313.378 3.655 0 40 DHAB CC(C)[C@@H](O)/C(=C/c1ccc(Cl)cc1Cl)n1cncn1 4258302 KUEAKBUJPKQVJA-MECSIWFOSA-N 312.200 3.600 0 40 DHAB CCCSc1ncnc2c1cnn2-c1ccc(Cl)cc1 4341630 TUQWMNGHIBFRBT-UHFFFAOYSA-N 304.806 3.971 0 40 DHAB Cc1noc(C)c1COC(=O)COc1ccc(C(C)(C)C)cc1 5861605 YDNUHURCJYYLPU-UHFFFAOYSA-N 317.385 3.711 0 40 DHAB O=C(C[C@H](Cc1ccc(Cl)cc1)C(=O)O)Nc1ccccc1 6241098 HGBUHVFNDKCSSD-ZDUSSCGKSA-N 317.772 3.612 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)cc1 6639664 JXFGXPAILULBBQ-LLVKDONJSA-N 316.788 3.982 0 40 DHAB CN(C)c1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7382924 OEUGFFZALBZIKX-UHFFFAOYSA-N 309.413 3.605 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2F)cc1 7790205 ZAAJQOBUPRYIDA-NSHDSACASA-N 305.374 3.954 0 40 DHAB O=C(CCc1ccccc1)NCc1ccccc1CN1CCCC1 8011595 XSAIPFYHIHQJDO-UHFFFAOYSA-N 322.452 3.531 0 40 DHAB COC(=O)c1cc(NC(=O)c2ccccc2C)ccc1Cl 8570995 DVIZXYZXCLUKEG-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB O=C(CCc1cccnc1)NCCC12CC3CC(CC(C3)C1)C2 8705313 POPTUGTZEQPRFM-UHFFFAOYSA-N 312.457 3.737 0 40 DHAB Cc1csc2nc(CSCc3ccc(F)cc3)cc(=O)n12 9991217 INAQVCNGHQLQLA-UHFFFAOYSA-N 320.414 3.637 0 40 DHAB O=C(CSc1ccccc1Cl)NC(=O)C1CCCCC1 11481288 MEGBCXCEJQTUFZ-UHFFFAOYSA-N 311.834 3.655 0 40 DHAB CC[C@@H](CC(=O)NCc1c(C)n[nH]c1C)c1c[nH]c2ccccc12 12196266 DTLTVZGAGUCPEE-AWEZNQCLSA-N 324.428 3.708 0 40 DHAB Cn1c(SCc2ccccn2)nnc1-c1ccc(Cl)cc1 12542809 KJPWVVSKXSVVGB-UHFFFAOYSA-N 316.817 3.823 0 40 DHAB CC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1 12853008 MXXVPAPBPRCBIB-UHFFFAOYSA-N 317.414 3.753 0 40 DHAB COc1cccc(CC(=O)NCCCSc2ccccc2)c1 12912172 AUQSKRAPMOBRQR-UHFFFAOYSA-N 315.438 3.536 0 40 DHAB COC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 13004447 XBLVKUNPLDADHG-UHFFFAOYSA-N 309.365 3.949 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 20110294 FBXJFNHEPZRHMX-KRWDZBQOSA-N 303.427 3.566 0 40 DHAB CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 20142118 UKZREPZJQPWLPF-LBPRGKRZSA-N 313.353 3.814 0 40 DHAB Cc1cccc(COc2ccc(Br)cc2CO)c1 20362788 AYBGQAJAUUGRRH-UHFFFAOYSA-N 307.187 3.829 0 40 DHAB O=C(Nc1cccnc1)c1ccc2nc(C(F)(F)F)sc2c1 20426886 NDTMCOXOQYAUKC-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB CN(C)c1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cn1 22421452 ZJLNZEDYKZNMQT-UHFFFAOYSA-N 317.392 3.652 0 40 DHAB COc1ccccc1NC(=O)CSCc1cccc(F)c1 23413765 GYKCXZTZCQYMTO-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB O=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccccc1 26817552 MXLNSGUGFGDRLN-UHFFFAOYSA-N 322.452 3.970 0 40 DHAB O=c1ccc2ccc(OCCCOc3ccc(F)cc3)cc2o1 32911033 RKYIYKSGFRZFSB-UHFFFAOYSA-N 314.312 3.780 0 40 DHAB COc1cc(C2=NO[C@@H](c3ccccc3)C2)cc(OC)c1OC 34260353 JXUXYQNZLMEYMF-OAHLLOKOSA-N 313.353 3.578 0 40 DHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN(C(C)C)C(C)C 35052952 FVWVHROWEIKEIH-WJFTUGDTSA-N 313.526 3.944 0 40 DHAB CC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C 35476066 JDGUWCTWVYIQQI-UHFFFAOYSA-N 314.433 3.562 0 40 DHAB CC(=O)c1csc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)n1 44361164 RDHVDDBIJPPDAK-IUCAKERBSA-N 320.336 3.653 0 40 DHAB COc1ccc(N)cc1NC(=O)/C=C/c1ccc(Cl)cc1 57340342 QBVOTWFIDWIEIB-RUDMXATFSA-N 302.761 3.583 0 40 DHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(C)cn1 58227731 AMTWFYFNXYKISU-AEFFLSMTSA-N 309.413 3.583 0 40 DHAB CCN(c1ccc(C(=O)Nc2ccc(OC)nc2)cc1)C(C)C 63854101 ZPOHXNYVMKVMHV-UHFFFAOYSA-N 313.401 3.577 0 40 DHAB CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C)nn1C 65541883 ODKAXJYPOROXDS-AWEZNQCLSA-N 300.406 3.561 0 40 DHAB CCOc1cccc([C@@H](C)NC(=O)Cc2noc3ccccc23)c1 69775720 DGBWAZNSIPYESH-CYBMUJFWSA-N 324.380 3.646 0 40 DHAB C[C@@H](SCc1ccccc1C(F)(F)F)C(=O)NC1CC1 71818607 PWJSMDJRZQJJSE-SECBINFHSA-N 303.349 3.606 0 40 DHAB CC[C@](C)(CCCNC(=O)Nc1cccc(F)c1)C1OCCO1 72306201 LKNQGICVROTBRX-QGZVFWFLSA-N 324.396 3.517 0 40 DHAB CC(C)Oc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 72331813 SFROJCOAHDQUNJ-UHFFFAOYSA-N 320.392 3.952 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1 76939241 JPUHLOUSJURNHO-UHFFFAOYSA-N 310.781 3.579 0 40 DHAB Cc1noc(C)c1[C@H](C)C(=O)Oc1cccc2c1CCCC2=O 78949086 JHWDXGRBMJWZDX-JTQLQIEISA-N 313.353 3.520 0 40 DHAB CCCn1cc(NC(=O)c2ccc(-c3ccccc3F)o2)cn1 80719562 SYUXRYYPAITOSC-UHFFFAOYSA-N 313.332 3.945 0 40 DHAB C[C@@H](c1ccco1)N(C(=O)NCC1CCSCC1)C1CC1 86398105 XVGQIRMLLBHILK-LBPRGKRZSA-N 308.447 3.658 0 40 DHAB CCCCCC[C@@H](CC)C(=O)N1CC(=O)Nc2c(C)ccnc21 95457323 QPEPXYGZEBFOIS-CQSZACIVSA-N 317.433 3.672 0 40 DHAB CCNC(=O)N1CCC(N[C@@H](c2ccccc2)C(C)(C)C)CC1 95462776 DOQCOFOJZZPCAS-KRWDZBQOSA-N 317.477 3.557 0 40 DHAB O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]1C1CCC1 102876071 UDYUZIVHFBRLNG-LJQANCHMSA-N 312.457 3.687 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 104661338 ZJUDRKMEAIYPPC-GVXVVHGQSA-N 321.804 3.891 0 40 DHAB Cc1[nH]c(=S)sc1CC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 106523009 FPCIRPXWYFEDKA-PDEGPIFNSA-N 310.488 3.598 0 40 DHAB COc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1C 223123673 FZMNNIHPRZASCX-UHFFFAOYSA-N 315.438 3.834 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223225867 YWOGRDQOZXBXMA-GJZGRUSLSA-N 309.409 3.820 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCC2=CCCCC2)c1 224423955 DONDXXLDFATOGP-INIZCTEOSA-N 301.430 3.996 0 40 DHAB CC(C)c1ccc(CCC(=O)NCCOc2ccccc2)cc1 224596668 VLYMQPXTUPCPAS-UHFFFAOYSA-N 311.425 3.938 0 40 DHAB COc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2cccnc12 225883613 JIYDQSJTCZQTLS-SFHVURJKSA-N 316.401 3.633 0 40 DHAB CCCOc1ncc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C 225913315 PVJDBPKTIQGQFM-SFHVURJKSA-N 320.433 3.713 0 40 DHAB Cc1nccn1C[C@H](C)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 249400763 UXPVCZLLUGMTLH-BNOWGMLFSA-N 303.372 3.538 0 40 DHAB Cc1ncsc1-c1ncccc1C(=O)N(C)C1CCCCC1 257264517 LUTSKYNAPBTQQW-UHFFFAOYSA-N 315.442 3.918 0 40 DHAB Cc1ccc(C)c(C(=O)NCCCN2c3ccccc3C[C@H]2C)c1 260746985 ZEPMSFWCCIBHOD-QGZVFWFLSA-N 322.452 3.875 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@H](O)CCc1ccccc1 306145725 OOUSHVCDMBTSCX-CYBMUJFWSA-N 322.288 3.839 0 40 DHAB Cc1ccccc1NC(=O)NCc1ccc(-c2ccoc2)nc1 390830064 IMMCGRBINRPEPF-UHFFFAOYSA-N 307.353 3.972 0 40 DHAB CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ccc(C2CCC2)cc1 529084359 BJIDWOKGWGKCCI-KDOFPFPSSA-N 300.402 3.643 0 40 DHAB c1csc(-c2cc(-c3nc([C@H]4Cc5ccccc54)no3)n[nH]2)c1 545584856 JYKBLKHPFIPIRJ-LBPRGKRZSA-N 320.377 3.876 0 40 DHAB CC(C)Cc1ncc(-c2cncc([C@H]3CCCN(C)C3)n2)s1 585260977 LCNMSMCCGZBYCX-ZDUSSCGKSA-N 316.474 3.608 0 40 DHAB c1ccc2nc(N3CCC[C@@H](COc4ccncc4)C3)ccc2c1 1775974083 BGKVEHZZGOXDHD-MRXNPFEDSA-N 319.408 3.925 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 64668 XLSVKVPFRPLSIT-UHFFFAOYSA-N 322.408 3.873 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 131254 DCWLRHQVINUHOL-FMIVXFBMSA-N 313.328 3.654 0 40 DHAB COc1ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2c1 178207 ODQZTDLMYWPNAD-UHFFFAOYSA-N 324.332 3.630 0 40 DHAB biogenic COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)C 557661 BPOYOMJYMBIUMI-UHFFFAOYSA-N 316.357 3.525 0 40 DHAB Cc1cccc(-c2nnc(NC(=O)c3ccccc3F)s2)c1 987481 CMMGLTBSFNWOBT-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC(C)(C)OC(=O)n1cccc1-c1cccc(CC(=O)O)c1 2581096 ZGDYXPZYMVDNCX-UHFFFAOYSA-N 301.342 3.565 0 40 DHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCCCC2)cc1 3151866 SYTSDFJMWZSPFV-KRWDZBQOSA-N 305.462 3.600 0 40 DHAB CSc1cccc(NS(=O)(=O)c2ccccc2Cl)c1 3364081 DEBIWMOOMYVZIH-UHFFFAOYSA-N 313.831 3.863 0 40 DHAB O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 3398786 MZCZZAXNPYKIDB-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 3486811 JZTQYJRBTNRCDK-KBXCAEBGSA-N 317.429 3.743 0 40 DHAB C/C=C/C=C/C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 3501465 OTJPYHTUYGXGCZ-CRBCFSCISA-N 314.168 3.607 0 40 DHAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(C(=O)O)cc1 3895415 VKRWBFSGXQMQKC-UHFFFAOYSA-N 313.397 3.930 0 40 DHAB CO[C@](F)(C(=O)Oc1ccc2ccccc2c1)C(F)(F)F 4568397 ZLVWBIBZWARVIW-CYBMUJFWSA-N 302.223 3.620 0 40 DHAB COc1ccc2c(c1)[nH]c1c(N3CCCC(C)(C)C3)ncnc12 5072090 GMUSTWXQNFKFRR-UHFFFAOYSA-N 310.401 3.746 0 40 DHAB COc1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1 5199452 GQJIMQOEDQROLW-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB Cc1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)s1 7192504 AMSUZKDKTWHCRJ-SECBINFHSA-N 304.440 3.699 0 40 DHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(SC(F)F)cc1 8755543 PSSXTUUUDBERJJ-UHFFFAOYSA-N 311.357 3.604 0 40 DHAB C[C@H](NC(=O)CSC1=Nc2ccccc2CS1)C1CC1 8942357 CBGRKZQGCOYLQC-JTQLQIEISA-N 306.456 3.569 0 40 DHAB Cc1ccccc1-n1nnnc1S[C@@H](C)c1ccc(F)cc1 9257505 GELJEKBWGIILGL-LBPRGKRZSA-N 314.389 3.963 0 40 DHAB Cc1[nH]c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2c1C 9609209 TYPZFDMEPYIWRV-UHFFFAOYSA-N 318.380 3.591 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)CCC1CCCC1 14018621 ZWWKWUDWEAYVIK-UHFFFAOYSA-N 304.390 3.563 0 40 DHAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 14061771 BMYBMPCPBMHZJR-UHFFFAOYSA-N 322.364 3.922 0 40 DHAB O=C(NCCc1ccco1)c1cc(-c2ccc(Cl)cc2)on1 14093732 QVIZFGLPAGZKCJ-UHFFFAOYSA-N 316.744 3.561 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc3cccc1c23 14155733 GHIZHQLQZMHULZ-ZDUSSCGKSA-N 316.360 3.827 0 40 DHAB CCC(=O)c1ccc(OCc2cc(F)cc3c2OCOC3)cc1 15360565 PHWKLGHIKCMBCD-UHFFFAOYSA-N 316.328 3.864 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)N1CCc2ccccc2C1 17116200 YZTFHOFIACTMMA-MRXNPFEDSA-N 308.425 3.776 0 40 DHAB CCCc1cc([C@H]2CCCCCN2Cc2cn(C)nc2C)no1 19525416 MIWOYGNASMJNJY-GOSISDBHSA-N 316.449 3.786 0 40 DHAB COc1ccc(NC(=O)c2noc3c2CCCCC3)cc1Cl 20258696 KXNHWDYRBVFXLG-UHFFFAOYSA-N 320.776 3.858 0 40 DHAB Cc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccccc1 21005780 IEWWPVSYAZDCLB-INIZCTEOSA-N 303.365 3.790 0 40 DHAB CCOC(=O)CSCc1csc(Nc2ccc(C)cc2)n1 21977017 IDNYGBQHXXUKKB-UHFFFAOYSA-N 322.455 3.991 0 40 DHAB COc1cccc(Cc2cnc(NC(=O)c3ccco3)s2)c1 23488743 WZVITXYJNWDORX-UHFFFAOYSA-N 314.366 3.588 0 40 DHAB O=C(c1nc(Cl)ccc1Cl)N1CCC[C@H]1c1ccncc1 27277730 DSZXRVCXKNPTIJ-LBPRGKRZSA-N 322.195 3.761 0 40 DHAB Cc1ccccc1OCC(=O)Nc1ccc(C)c2ncccc12 31092307 DYBZHJHMOMXIIU-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB CC(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 32649764 LMUSXECLHXJHAE-UHFFFAOYSA-N 306.365 3.904 0 40 DHAB Cc1c(C(=O)Nc2ccc(F)cc2Cl)cnn1C(C)(C)C 32932002 ZKECDUZLKACQBS-UHFFFAOYSA-N 309.772 3.991 0 40 DHAB Cc1ccc(-c2nnc(-c3nc(-c4ccccc4)oc3N)o2)cc1 35681792 DPDRLONULXOVDD-UHFFFAOYSA-N 318.336 3.949 0 40 DHAB O=C(COC1CCCCC1)NCc1ccc(Cl)cc1Cl 40140244 MPEKGDYVXNRZLC-UHFFFAOYSA-N 316.228 3.959 0 40 DHAB CC(C)c1noc([C@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 41122557 PAAVLXPHESWEJU-HNNXBMFYSA-N 319.449 3.869 0 40 DHAB c1cc(Cn2cncn2)cc(Nc2nc3ccccc3s2)c1 47254053 KMDBLAZVWULDJT-UHFFFAOYSA-N 307.382 3.680 0 40 DHAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(F)c(Cl)c1 60015248 MKUUMCOMJZMOGB-SECBINFHSA-N 317.751 3.846 0 40 DHAB COCc1nc(C(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)cs1 67633755 BAIVLEBJDYZUBU-STQMWFEESA-N 321.442 3.829 0 40 DHAB CN(C)c1ncccc1CNCc1nc(-c2ccccc2)cs1 67671221 CUORWOQIEBNWOY-UHFFFAOYSA-N 324.453 3.561 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)CSCc1cccc(F)c1F 69535779 SNXNKNMYUDBCTF-SMDDNHRTSA-N 313.413 3.893 0 40 DHAB CCCN1CCC(N(C)C(=O)c2cccc3ccccc23)CC1 69583848 GUORAFQMJGLORN-UHFFFAOYSA-N 310.441 3.786 0 40 DHAB CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2N)cc1 70462834 MGQCKEVHKWJZHR-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB Cc1ccc(S[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1 72307080 OKGKVXHZWBKJND-OAHLLOKOSA-N 321.442 3.666 0 40 DHAB O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1cc2ccccn2c1 72972368 ZVVFBTFAPGRJNF-UHFFFAOYSA-N 320.348 3.507 0 40 DHAB CN1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 73414521 OAAQBJMVTCBKBU-FQEVSTJZSA-N 322.452 3.557 0 40 DHAB CCN(Cc1cccs1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 78047092 JHZFVLOZRUBHNR-AWEZNQCLSA-N 324.490 3.827 0 40 DHAB CN1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 82334777 KLPMBJORBKCSRC-SECBINFHSA-N 320.742 3.639 0 40 DHAB C[C@@H](c1ccc(Br)cc1)N1CCC[C@@](C)(CO)C1 84651509 QMOGJVSNJZOYSB-SWLSCSKDSA-N 312.251 3.605 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(F)cc2)C1 89212719 FIZMISDRFODYSK-ZDUSSCGKSA-N 308.397 3.885 0 40 DHAB CN1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 89375150 CSMYIWLVWJTCFC-SJORKVTESA-N 314.816 3.515 0 40 DHAB CCc1ccc(-c2nc(N3CCCC3)sc2CC(=O)O)cc1 95097098 UYWCOQUSRWBQNX-UHFFFAOYSA-N 316.426 3.600 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSCc1ccon1 95418063 IBKMRBJLCCXOIU-LLVKDONJSA-N 324.833 3.781 0 40 DHAB Brc1cccc(N2CCN=C2c2ccccc2)c1 95915555 BOBFOZKRGWZBEF-UHFFFAOYSA-N 301.187 3.716 0 40 DHAB CO[C@@](C)(CNC(=O)Nc1cccs1)c1ccccc1F 96123652 FQSKHXJKMBPHCY-HNNXBMFYSA-N 308.378 3.571 0 40 DHAB Cc1nc(CSCc2nnc(Cc3ccccc3)o2)cs1 96433433 WQMCWHSMJKRKQC-UHFFFAOYSA-N 317.439 3.859 0 40 DHAB C[C@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@@H](c2ccco2)C1 96441261 LGVWFPJDLYZDDW-SMDDNHRTSA-N 300.358 3.758 0 40 DHAB C[C@H]1C[C@@H](C)N(C(=O)c2cccc(F)c2Cl)c2ccnn21 96443099 RFXFPEJNZPIYAK-ZJUUUORDSA-N 307.756 3.676 0 40 DHAB Cn1cc(CN[C@H]2CCCSc3ccc(Cl)cc32)cn1 96476684 IPMBLXIKMYNPPZ-AWEZNQCLSA-N 307.850 3.790 0 40 DHAB Oc1ccc(NCCC(F)(F)C(F)(F)Br)cc1 98211080 RQLWGXWVAQWMEG-UHFFFAOYSA-N 316.092 3.817 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1cccc2ccccc12)C31CC1 100292848 FZFDSNPOONNEQV-UOVPBQLFSA-N 315.372 3.541 0 40 DHAB S=C1NC(c2ccccc2)=N/C1=C1/Nc2ccccc2S1 101426407 NAHNVYNKYGGNIF-SSZFMOIBSA-N 309.419 3.751 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCCCC2)nc1 105640430 OIBBPAUWSWJOBF-JYJNAYRXSA-N 313.445 3.837 0 40 DHAB CCc1ccc(OCC(=O)n2cc(C=O)c3ccccc32)cc1 216720273 YCNFALNZVRAMCU-UHFFFAOYSA-N 307.349 3.735 0 40 DHAB O=C(O)c1ccc(-c2cc3ccccc3oc2=O)cc1Cl 216935450 UZPDBMGQEQENTF-UHFFFAOYSA-N 300.697 3.812 0 40 DHAB CCOc1ccccc1CCCNC(=O)Cc1ccc(F)cc1 224911560 BCKUEYKNAFIXMH-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB CCOc1ccc(CNC(=S)Nc2ccc(OC)cc2)cc1 225429594 PHDBOEOYCDKOJR-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB S=C(NCCCc1ccccc1Cl)Nc1cccnc1 225542509 DZISXMFTZQISTQ-UHFFFAOYSA-N 305.834 3.654 0 40 DHAB O=c1c(Cl)c(Cl)c(Cl)nn1-c1cccc(Cl)c1 242473278 FEUMGHRTGBAZIG-UHFFFAOYSA-N 309.967 3.846 0 40 DHAB C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 245339243 RKJBWLJWYPZXLQ-RQJABVFESA-N 323.383 3.532 0 40 DHAB Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CCN[C@H]2CCC[C@@H]21 252515019 FUJSTKVKXGEKGI-CGBFIWBNSA-N 314.473 3.511 0 40 DHAB CCCCc1nc(CN2CCC[C@@H](c3nccs3)C2)c[nH]1 257228771 FVDURGWMSZKENI-CYBMUJFWSA-N 304.463 3.588 0 40 DHAB O=C(Cc1ccncc1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 390834506 ZWPMRGUAPFVKMR-GOSISDBHSA-N 310.372 3.516 0 40 DHAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 408709190 PJKHPPCBZFYRLW-UHFFFAOYSA-N 324.424 3.627 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C(F)F)C1CC1 585081546 CWMBOSGUJJQRJV-SNVBAGLBSA-N 308.781 3.587 0 40 DHAB O=C1N[C@]2(C=Cc3c(ccc4ccccc34)O2)Oc2ccccc21 291355 XGNIWAINDZATCD-HXUWFJFHSA-N 315.328 3.722 0 40 DHAB CN(C(=O)CCCCC(=O)N(C)c1ccccc1)c1ccccc1 1706225 ZVOHYGBXDWLGEI-UHFFFAOYSA-N 324.424 3.873 0 40 DHAB C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)nnc2C1 3108028 YECDWQJYOAIDMX-VIFPVBQESA-N 317.186 3.671 0 40 DHAB CC(C)=CC/C=C1/CC[C@@H]2C(=O)N(c3ccccc3)NC(=O)[C@@H]2C1 4028883 LAQLAJSRFNHUCR-GSBQIYOASA-N 324.424 3.763 0 40 DHAB biogenic Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c1 4033519 MBTCJPBMZDVGJH-CQSZACIVSA-N 305.381 3.700 0 40 DHAB Cc1cccc(C)c1NC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062644 NWZMBQHOYQCVMI-UHFFFAOYSA-N 320.392 3.925 0 40 DHAB CCc1ccccc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163630 JSFDGLDDBGLVFY-UHFFFAOYSA-N 306.365 3.860 0 40 DHAB CC(=O)N(Cc1cccnc1)c1nc2cc(C)c(C)cc2s1 5152701 HCGWXVGIBJQTRW-UHFFFAOYSA-N 311.410 3.861 0 40 DHAB CC[C@@](C)(CC(=O)NCc1ccco1)c1ccccc1OC 5245356 RWQAEHMFJOBCSS-SFHVURJKSA-N 301.386 3.662 0 40 DHAB Cc1cc(C(=O)OCC(=O)Nc2cccc(C)c2C)c(C)s1 5355808 FEPNCTSLAXXJHV-UHFFFAOYSA-N 317.410 3.777 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1OCC 5466564 QCAJEWPHVWMHLA-UHFFFAOYSA-N 303.333 3.875 0 40 DHAB CCCC[C@@H](CC)CNC(=O)Cc1ccc(OC)c(OC)c1 5467004 AUJFMCDPDRTPRE-CQSZACIVSA-N 307.434 3.579 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)cc(F)c1 7804765 QHWWUHRWKBYZLL-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 8556167 LGSLAQWUQSSOBO-UHFFFAOYSA-N 324.424 3.644 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 9050754 PEWJFOQQPSWZMS-UHFFFAOYSA-N 324.167 3.599 0 40 DHAB CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 12067070 NWEPGOQHZOQJDU-UHFFFAOYSA-N 319.408 3.908 0 40 DHAB CCCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC 12806007 ZWRZPYPGSNMXAD-RVDMUPIBSA-N 309.365 3.977 0 40 DHAB O=c1c2c(-c3ccc(F)cc3)ccnc2[nH]n1-c1ccccc1 14163877 SHKVZPVSMXHLGJ-UHFFFAOYSA-N 305.312 3.520 0 40 DHAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1c(C)noc1C 16130596 CFLLXSODZNETSZ-UHFFFAOYSA-N 308.403 3.524 0 40 DHAB COC(=O)c1ccc(COC(=O)c2c(C)[nH]c3ccccc23)cc1 16295784 QPFWHWHBMXZYBZ-UHFFFAOYSA-N 323.348 3.620 0 40 DHAB O=C(COc1ccccc1)Nc1ccc(F)c(C(F)(F)F)c1 20025445 ANSWESVWBYRWFG-UHFFFAOYSA-N 313.250 3.862 0 40 DHAB O=Cc1ccccc1OCc1nc(-c2ccc(Cl)cc2)no1 22120738 SNQGKKSMNRFFPB-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB COCc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 23387326 IOJZGVDZNFQTQR-UONOGXRCSA-N 315.335 3.684 0 40 DHAB CCCc1ccccc1NC(=O)c1cc2ccccc2c(=O)[nH]1 24503848 AULJMTSMBHJVSG-UHFFFAOYSA-N 306.365 3.733 0 40 DHAB C[C@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccco1 25597962 UGRKTVCNRDMOHD-JTQLQIEISA-N 312.291 3.588 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)Cc1ccccc1 28042831 DNOFBLWIBCQSFW-CYBMUJFWSA-N 323.845 3.863 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@H]1C 31864607 AWVRPQOJDUMTLQ-LLVKDONJSA-N 301.415 3.528 0 40 DHAB COCc1ccc(CNC(=O)/C=C/c2sccc2C)cc1 32035995 QFBANDYVUDHQJB-BQYQJAHWSA-N 301.411 3.533 0 40 DHAB CC(C)c1nnc(SC[C@H](O)c2ccc(F)cc2)n1C1CC1 32900858 HIKRBHVUYPHHHM-AWEZNQCLSA-N 321.421 3.701 0 40 DHAB CN(Cc1ccncc1)c1ncnc2sc3c(c12)CCCCC3 32906784 NFYKSVDMQIVAHI-UHFFFAOYSA-N 324.453 3.992 0 40 DHAB C[C@H](Cc1ccco1)NC(=O)C1(c2cccs2)CCCC1 38565702 XZXODKAYTOBYST-CYBMUJFWSA-N 303.427 3.900 0 40 DHAB CC[C@H]1c2ccsc2CCN1Cc1nnc(C(C)(C)C)o1 40086376 VIGYAPNSNSAVCR-LBPRGKRZSA-N 305.447 3.938 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)N[C@@H]1CCCc2ccccc21 42959152 JQQUZNBQTBVPFG-QGZVFWFLSA-N 313.401 3.510 0 40 DHAB O=C(Nc1cccc2ccc(-n3ccnc3)nc12)c1ccsc1 49028079 BSOMWZYKZGDWSB-UHFFFAOYSA-N 320.377 3.734 0 40 DHAB CCc1nnsc1C(=O)N[C@@H](c1cccs1)C(C)(C)C 59280234 MFFMWQMQDANYBA-LBPRGKRZSA-N 309.460 3.679 0 40 DHAB CC(C)(C)c1ncc(NC(=O)c2sccc2C2CC2)cn1 67235309 XAOCAQMXFBDLSV-UHFFFAOYSA-N 301.415 3.965 0 40 DHAB O=C(CSC(F)(F)F)Nc1c(F)cccc1N1CCCC1 68299089 GONDEKTXGIGPQW-UHFFFAOYSA-N 322.327 3.617 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C(C)C 68682437 CXVZGMZHVNGGCE-SNVBAGLBSA-N 323.799 3.748 0 40 DHAB Cc1ccc(CC(=O)Nc2cc(-n3cccc3)ccc2F)cn1 69384483 MQGQUVDDPZGBGW-UHFFFAOYSA-N 309.344 3.501 0 40 DHAB Fc1cc2nc(SCc3nnc(C4CCC4)o3)[nH]c2cc1F 71893957 ZBAUZGIVBSSVIA-UHFFFAOYSA-N 322.340 3.784 0 40 DHAB O=C(CCc1ccco1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 72346765 YCYNQPFROZUQHJ-KRWDZBQOSA-N 323.396 3.842 0 40 DHAB O=C(CCc1ccsc1)N1CCC[C@@H]1c1ccc(O)cc1 78702632 FBEIGNJUYMGEPR-MRXNPFEDSA-N 301.411 3.750 0 40 DHAB COc1cc([C@@H](C)N[C@H](C)C2CCOCC2)ccc1OC(C)C 95419744 GAMVHCYTLYWFPN-HUUCEWRRSA-N 321.461 3.948 0 40 DHAB CSc1ccc(C(=O)Nc2cc(C)nc(C(C)C)n2)cc1 95957789 LGKUWWHBPZEYJY-UHFFFAOYSA-N 301.415 3.883 0 40 DHAB CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H]1[C@@H]2N1C(=O)Nc1cccc(Cl)c1 101152104 MZELXWCWVZYPER-HOVIMGJZSA-N 320.820 3.902 0 40 DHAB Cc1c(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cnn1C 102595302 BSIVAJKUOXQESW-KJFXSAIASA-N 301.434 3.664 0 40 DHAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1C 102599287 KVXCVEZZNMQOBZ-RWMBFGLXSA-N 321.442 3.916 0 40 DHAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)[C@@H](O)[C@@]4(C)CC[C@@H]32)C1 118931555 FTVVRNPVTQSSQO-ZUJGYIQBSA-N 318.457 3.504 0 40 DHAB CC[C@@H](C)CCOC(=O)c1snnc1-c1ccc(OC)cc1 223837337 KTVZIJMKWIMZJX-LLVKDONJSA-N 320.414 3.807 0 40 DHAB CCc1ccc(OCCNC(=O)Cc2cccc(Cl)c2)cc1 225163896 YGTNZEXURZIHBZ-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cn1 225889082 MIKQXRSLESVUEV-KBXCAEBGSA-N 320.433 3.794 0 40 DHAB CCCC[C@](C)(OCC)C(=O)Nc1cnc(OCC)c(C)c1 225896799 XREGMOINNFJYPE-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB COc1cc(OC)c(/C=C2\C(=O)Nc3ccccc32)cc1Cl 409127029 CQGKFFZPEKHUCZ-GHXNOFRVSA-N 315.756 3.850 0 40 DHAB COc1cc(C(=S)N2CCCCC2)ccc1OCC(C)C 409197663 LPIDOOIZVJSCDS-UHFFFAOYSA-N 307.459 3.891 0 40 DHAB CC1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CCO3)CC1 533578337 VBIWIYBAKOGRJY-UHFFFAOYSA-N 321.420 3.815 0 40 DHAB COc1ccc(-c2ccnc(NC3C[C@H](C)O[C@@H](C)C3)n2)cc1 569556293 MVAGWSKXOLMDPA-STQMWFEESA-N 313.401 3.520 0 40 DHAB CCOC(=O)c1nc2ccc(OC)cc2c(Cl)c1Cl 685936803 AHSTVVIXXGTNIS-UHFFFAOYSA-N 300.141 3.727 0 40 DHAB CC(C)(C)n1nc2c(c1NC(=O)c1cccc(F)c1)CSC2 189432 VCGDOZJNAMCCQO-UHFFFAOYSA-N 319.405 3.776 0 40 DHAB Cc1ccc(C)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c1 420266 ZCRJNXUXGDIWDI-UHFFFAOYSA-N 307.397 3.909 0 40 DHAB CCC(=O)N(CC(C)C)c1nnc(-c2ccccc2C)s1 1345362 FSYBXNFAPJXPAM-UHFFFAOYSA-N 303.431 3.913 0 40 DHAB COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3CC[C@@H]12 1705298 BSKWXDWRTACMCC-NEWSRXKRSA-N 302.414 3.879 0 40 DHAB CCOc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4163660 AHBAYDWSLQAXOW-UHFFFAOYSA-N 322.364 3.696 0 40 DHAB Cc1ccc(OCc2occc2C(=O)Nc2nccs2)cc1 5032796 BJINSMAYSYZRAT-UHFFFAOYSA-N 314.366 3.876 0 40 DHAB CC(C)[C@@H]1[C@@H]2C[C@H]3[C@@]4(C)CCC[C@@](C)(CO)[C@@H]4CC[C@@]23[C@@H]1O 5104521 GZDLNFIMMVRZGR-MNHVPCHLSA-N 306.490 3.854 0 40 DHAB C[C@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 5676682 NUXUVWFBHALEIM-IILDEKEXSA-N 319.470 3.570 0 40 DHAB COc1ccc(OCCCC(=O)Nc2ccc(F)c(F)c2)cc1 5679788 KMOGUBWOWWHTFT-UHFFFAOYSA-N 321.323 3.771 0 40 DHAB Cn1ccnc1[C@@H](Nc1ncnc2ccsc12)c1ccccc1 8705079 CNBBPLQRYJUDTE-AWEZNQCLSA-N 321.409 3.626 0 40 DHAB COc1cccc(CSc2nncn2-c2ccccc2C)c1 8711017 GIIULVBGKKWPRP-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 9997189 ZBHUGRFJYAQKHD-QWRGUYRKSA-N 315.244 3.910 0 40 DHAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)cc1 12825601 ABQTUWVWNWHEEC-KRWDZBQOSA-N 319.401 3.660 0 40 DHAB COc1cccc(/C=C/C(=O)N(C)C2CCC(C)CC2)c1OC 13013834 IAVWAUFAUZTUFM-JLHYYAGUSA-N 317.429 3.754 0 40 DHAB COc1cc2cc(-c3ccc(O)cc3O)nc(C)c2cc1OC 13122646 SIZZKZXYIRZRTK-UHFFFAOYSA-N 311.337 3.639 0 40 DHAB biogenic C[C@@H](Oc1cccc2ccccc12)C(=O)NCCc1ccccc1 13708834 VAGACJGKIMKIPN-MRXNPFEDSA-N 319.404 3.966 0 40 DHAB COc1ccc([C@H](C)NC(=S)Nc2cccc(F)c2)cc1 13932635 SHYPFYXDXZAVEF-NSHDSACASA-N 304.390 3.882 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1Cl 13964724 RBDHCRKIHPBSHU-CQSZACIVSA-N 323.868 3.890 0 40 DHAB Cc1occc1-c1nnc(SCc2ccc3c(c2)OCO3)o1 14184247 DCGKFBUNSYHBHB-UHFFFAOYSA-N 316.338 3.659 0 40 DHAB CCCc1nnc(SCC(=O)c2c(C)[nH]c3ccccc23)[nH]1 14184466 QPBVPOLSDBRRSV-UHFFFAOYSA-N 314.414 3.522 0 40 DHAB c1coc(CNc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 14201976 BDAGPUBMZNDOQC-UHFFFAOYSA-N 314.366 3.786 0 40 DHAB Cc1ccccc1COc1ccc(/C=C2/SC(=N)NC2=O)cc1 15932090 JNENXIZUKBIWDY-MHWRWJLKSA-N 324.405 3.713 0 40 DHAB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(C)C 16406570 NXCIFXXJGROFJC-UHFFFAOYSA-N 322.360 3.945 0 40 DHAB CCCNc1nc(Nc2cccc(Cl)c2)c2cnn(C)c2n1 17286250 IVCBEWJAZANFOP-UHFFFAOYSA-N 316.796 3.582 0 40 DHAB O=C(CCCc1nc(-c2cccs2)no1)NC1CCCCC1 20894281 QMVRUENBSWBUDY-UHFFFAOYSA-N 319.430 3.570 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)N1CCc2sccc2C1 24749353 GZRJKGLKRZJLHR-LBPRGKRZSA-N 316.426 3.586 0 40 DHAB Cc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(F)cc1 25442015 LIDISOSHDSUHIJ-GOSISDBHSA-N 312.388 3.910 0 40 DHAB COc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cn1 25647027 QIAAYTZZFSTZNM-UHFFFAOYSA-N 310.397 3.546 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nnc(-c3ccc(C)cc3)[nH]2)C1(C)C 28857044 ONVRNYJERJEEGE-CABCVRRESA-N 324.428 3.957 0 40 DHAB Cc1ccc2[nH]nc(C(=O)NCC3(c4ccccc4)CCC3)c2c1 32814761 NPWWCQNDGMPQST-UHFFFAOYSA-N 319.408 3.723 0 40 DHAB CC[C@H](CO)Nc1ncnc2cc(-c3ccc(F)cc3)sc12 33012211 VBAGMEPNGHEIAS-GFCCVEGCSA-N 317.389 3.680 0 40 DHAB CC(C)c1nn(C)cc1CN[C@H]1CCSc2ccccc21 37316100 UQPLDNDHANTEIZ-HNNXBMFYSA-N 301.459 3.870 0 40 DHAB CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccccc1 40002685 OHCMDCOUVYMADX-PBHICJAKSA-N 316.470 3.740 0 40 DHAB Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)c(C)c1 40092851 MSUPHDWKXNWZLH-UHFFFAOYSA-N 310.353 3.512 0 40 DHAB CCOc1ncccc1CNC(=O)Nc1c(C)cc(C)cc1C 40095768 IPQKWZFBKXZULW-UHFFFAOYSA-N 313.401 3.727 0 40 DHAB COc1ccc(F)cc1[C@@H](O)c1ccccc1Br 40258378 UPKVHUQRPRGNGR-AWEZNQCLSA-N 311.150 3.679 0 40 DHAB CCc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1 40294591 DRJCVGCEYSYNCT-UHFFFAOYSA-N 319.202 3.846 0 40 DHAB CCc1cc(Br)ccc1OCC[C@H]1CCCNC1 42770202 MBFYWHWBQSQWJE-GFCCVEGCSA-N 312.251 3.780 0 40 DHAB COc1ccc(Cl)cc1NCc1nc(-c2ccco2)no1 44070356 UJJLENJJJZQJML-UHFFFAOYSA-N 305.721 3.604 0 40 DHAB COc1ccc(CN(C)C(=O)Cc2ccccc2Cl)cc1 44818452 QJWPQNKJHUDWSB-UHFFFAOYSA-N 303.789 3.550 0 40 DHAB Cc1cc(C)nc(N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 45026841 XNSZUSGZMYINLR-CYBMUJFWSA-N 310.401 3.615 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N(C)C)cc2C)o1 46030830 YLGYOXZIVPHXFH-CYBMUJFWSA-N 301.390 3.845 0 40 DHAB Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 48655909 NQEQAIYDXCONMH-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB CN(CC1CC1)C(=O)NCCc1cc(Cl)cc(Cl)c1 49285174 LEDMHNXSBDVONO-UHFFFAOYSA-N 301.217 3.587 0 40 DHAB COc1cccc(CN(C)C(=O)N[C@@H](C)Cc2ccsc2)c1 50157616 NSSDOUYUFPLDAL-ZDUSSCGKSA-N 318.442 3.529 0 40 DHAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)Cc1ccccc1F 53189850 QCWBAEPMICYDSL-NSHDSACASA-N 304.365 3.607 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCc2ccccc21 53777094 OCARHOTVIQMELM-LJQANCHMSA-N 304.393 3.904 0 40 DHAB c1ccc2sc(NCc3ccc(Cn4cncn4)cc3)nc2c1 54865722 GJGPWZSRZPEZCM-UHFFFAOYSA-N 321.409 3.548 0 40 DHAB CCc1cccc(N2CCC(NC(=O)c3ccoc3C)CC2)c1 61560741 YDZIRGCLXSCKJU-UHFFFAOYSA-N 312.413 3.549 0 40 DHAB Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1ccccc1 65593793 RUDSPXSZTUHRLU-UHFFFAOYSA-N 313.378 3.624 0 40 DHAB Cc1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 67802646 CUXJJLKLYBVWBH-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccn1 69559951 QMFKVQDGOPSCJX-GXTWGEPZSA-N 322.330 3.995 0 40 DHAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@H]1c1ccsc1 71851676 GRLJSDNKBZTBKZ-INIZCTEOSA-N 313.422 3.589 0 40 DHAB Cc1ncc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)s1 72254920 FISNDCHZAIAHPD-GFCCVEGCSA-N 314.332 3.827 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccccc2)cc1 72328832 SLRZIYXPMKMEKE-CYBMUJFWSA-N 321.380 3.576 0 40 DHAB Cc1ccccc1NCc1cc(-c2ccccc2)cn2nnnc12 72392298 UEIOGAQIWWVPKA-UHFFFAOYSA-N 315.380 3.712 0 40 DHAB COc1ccc(CN(C(=O)c2ccco2)c2ccncc2)cc1 76019116 CTYRDJSQKYQVOD-UHFFFAOYSA-N 308.337 3.530 0 40 DHAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)[C@H]2CCCO2)n1 76042932 OCBPIBZCZVTNNP-CHWSQXEVSA-N 322.474 3.673 0 40 DHAB CCC[C@@H](C)C(=O)N1CCC(Nc2cccc(OC)c2)CC1 78832227 YCQRGASQPNTEEP-CQSZACIVSA-N 304.434 3.534 0 40 DHAB CC(C)CCc1noc(CNC2(c3nccs3)CCCC2)n1 83214931 MZVFOFUFVSKCGM-UHFFFAOYSA-N 320.462 3.674 0 40 DHAB Cc1nc(S)sc1CC(=O)N1CCC[C@@H]1CC(C)(C)C 84064561 IEXIFYPUSBLDGP-LLVKDONJSA-N 312.504 3.710 0 40 DHAB OCc1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1 95421976 NUAKBEGJOSRDTR-SFHVURJKSA-N 309.409 3.715 0 40 DHAB Cc1nc(COC(=O)C2(c3ccccc3)CCC2)c(C)s1 95972977 YMYMZSAEYUVLTB-UHFFFAOYSA-N 301.411 3.925 0 40 DHAB Cc1nc(CN2CCC(CN[C@@H]3CCC(C)(C)C3)CC2)cs1 96011757 LCKFSJYHMCEKCW-MRXNPFEDSA-N 321.534 3.832 0 40 DHAB c1csc(CN2CCc3c(COCC4CC4)cncc3C2)c1 96189394 YBNRLXHPECBDMR-UHFFFAOYSA-N 314.454 3.628 0 40 DHAB CC(C)CO[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 96529914 QGONTRVMESJITG-ZDUSSCGKSA-N 311.344 3.601 0 40 DHAB c1ccc2oc(-c3n[nH]cc3CNCc3nccs3)cc2c1 97159973 GBCDCYWUVVPZGS-UHFFFAOYSA-N 310.382 3.569 0 40 DHAB COc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccccc1F 97232093 QQCRYDCDEGBGLN-LBPRGKRZSA-N 316.376 3.709 0 40 DHAB COc1ccccc1-n1nc(C)c(CCc2ccccc2)c1O 100072438 ATEUVUKTHOOTLJ-UHFFFAOYSA-N 308.381 3.680 0 40 DHAB COc1ccc(OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 100480395 LSJKRVRGKCUGDL-IFXJQAMLSA-N 317.429 3.501 0 40 DHAB CCOC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 105514473 AYYSJWRLLGIPHD-AWEZNQCLSA-N 307.390 3.596 0 40 DHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 223274705 NRKIEKYQMFJXAN-MRXNPFEDSA-N 323.436 3.958 0 40 DHAB COc1ccc(C(=O)NCCSc2ccccc2)cc1Cl 223435149 CHWDHMFKVSAYHZ-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB COCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC 224397786 FBOZFPQKKLNHSF-UHFFFAOYSA-N 323.751 3.886 0 40 DHAB Cc1ccc(C)c(C(=O)NCCOc2ccccc2Cl)c1 224862273 WXWRVZFBVINUMA-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@H]3C[C@@]13CC[C@H]2C[C@@H]1CCCC[C@]13O4 247716940 NYWUQKFITQFOEY-CYAHPCQSSA-N 304.430 3.741 0 40 DHAB biogenic FC(F)(F)CCn1cc(Cl)c(COCC(F)(F)F)n1 408717117 VXICFDJWBFVXNE-UHFFFAOYSA-N 310.625 3.568 0 40 DHAB O=C1S/C(=C/c2ccoc2)C(=O)N1CCCc1ccccc1 409135726 ZTNVRMOXZYTIGZ-RVDMUPIBSA-N 313.378 3.949 0 40 DHAB O=C(O)c1coc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 572729296 XCAAMFMQKIPLIN-GFCCVEGCSA-N 317.307 3.532 0 40 DHAB Cc1cc(C(=O)NCc2cccnc2-c2ccsc2)c(C)o1 585366564 HHUGWERLOQCAQO-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NCc3ccccc3)[C@H]1CC2 675082792 LCJXSQNBSIRCGE-GVDBMIGSSA-N 316.445 3.707 0 40 DHAB O=C(C1CC1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1889783828 WEZHBFKGEMAGCA-UHFFFAOYSA-N 321.424 3.623 0 40 DHAB Clc1ccccc1[C@H]1C[C@H](c2ccco2)n2ncnc2N1 350198 MLMQEBHBKVYIKT-CHWSQXEVSA-N 300.749 3.671 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2cccc(SC)c2)c1 385780 XAGHISHIIKWPMO-UHFFFAOYSA-N 303.383 3.678 0 40 DHAB CC(C)(C)c1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1 386129 PFVSMUOUMZNZTJ-UHFFFAOYSA-N 316.422 3.641 0 40 DHAB COc1cc(C(=O)O[C@@H]2C[C@H]3C[C@]2(C)CC3(C)C)ccc1O 519681 UYRQNTGJUQGOJG-WBHUJUFNSA-N 304.386 3.772 0 40 DHAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)cc1 531769 RZHBFOVSZPPSGC-DLBZAZTESA-N 324.359 3.572 0 40 DHAB CC[C@@H](CO)NC(=O)c1cc2sc3ccccc3c2s1 798270 NIGSYBCWPCYQOP-VIFPVBQESA-N 305.424 3.617 0 40 DHAB O=C(Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 3045448 RXMZIAGDFXNOPQ-UHFFFAOYSA-N 309.152 3.571 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)cc1 3321695 GYLKYOAYRPAKHG-OAHLLOKOSA-N 308.425 3.634 0 40 DHAB CCc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1 3489831 RLLBIKAHNKALNC-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB COc1ccccc1NC(=O)c1ccc(NC(=O)C2CCC2)cc1 3559768 HGINQZBQPCIMJM-UHFFFAOYSA-N 324.380 3.686 0 40 DHAB C[C@]12COC(=O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 3831249 QSLJIVKCVHQPLV-FQRJZAEESA-N 306.446 3.543 0 40 DHAB COc1ccccc1Nc1[nH]c(=S)nnc1-c1ccccc1 3846918 BAJGHJNEENTSRG-UHFFFAOYSA-N 310.382 3.953 0 40 DHAB COC(=O)c1ccsc1NC(=O)/C=C/c1ccccc1Cl 4281404 XQUAWZHXONOLSJ-VOTSOKGWSA-N 321.785 3.840 0 40 DHAB Cc1ccc(NC(=O)Nc2ccccc2)cc1N1CCCC1=O 5440809 LZROTYBZBYDNPC-UHFFFAOYSA-N 309.369 3.766 0 40 DHAB CCOc1cc(C=O)cc(Br)c1O[C@H](C)CC 5655276 VDOZVUKUDSMKGO-SECBINFHSA-N 301.180 3.838 0 40 DHAB CN(C(=O)CSc1nc2ccccc2o1)C1CCCCC1 6790806 NCUWRDDNNJFMAS-UHFFFAOYSA-N 304.415 3.711 0 40 DHAB CC(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 7055480 SGCWESURKRNXKE-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB Cc1cc(C)cc(CSCC(=O)NCc2cccs2)c1 7208978 CYHOGTAIRKVONI-UHFFFAOYSA-N 305.468 3.915 0 40 DHAB COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl 7428319 JURNFRDATBKKDC-MDZDMXLPSA-N 323.801 3.761 0 40 DHAB CC(=O)Nc1ccc(OCc2nc(-c3ccc(C)cc3)no2)cc1 7736076 YFNHVNXFNITVNM-UHFFFAOYSA-N 323.352 3.582 0 40 DHAB COc1ccc(C)cc1NC(=O)COc1ccc(F)cc1Cl 7814901 NFSXPPBDAYMOAM-UHFFFAOYSA-N 323.751 3.814 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 7882138 KFHMEAUNMXFCRG-WBVHZDCISA-N 322.408 3.543 0 40 DHAB Cc1noc(C)c1CN(C(=S)NC(C)C)c1ccccc1 8685351 IMZDHUPBLTXTDJ-UHFFFAOYSA-N 303.431 3.581 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)NC1CCCCC1 8718989 PFVQYRZKVQRZJS-UHFFFAOYSA-N 301.415 3.576 0 40 DHAB Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1 9141371 VDYWMQJVRWLCDX-UHFFFAOYSA-N 308.385 3.714 0 40 DHAB COc1ccccc1NCC(=O)Nc1ccc(F)cc1Cl 9314557 MVSKEVUPQDQCCV-UHFFFAOYSA-N 308.740 3.538 0 40 DHAB Cc1nnc2n1N1C(=CS[C@@H]1c1ccc(Cl)cc1)S2 12321162 WUWDSIJPQHLKCL-LLVKDONJSA-N 308.819 3.528 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N[C@H]2CCc3ccccc32)c1 12800139 PCEZIOZPRRVHHG-INIZCTEOSA-N 315.800 3.831 0 40 DHAB COc1ccccc1CNC(=O)c1cccc2c1O[C@H](C)[C@@H]2C 12925609 NBAAOINLIHZLLM-QWHCGFSZSA-N 311.381 3.510 0 40 DHAB CC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 12927557 DEDQESCJFBOJDU-UHFFFAOYSA-N 307.393 3.790 0 40 DHAB O=C(Cc1ccccc1F)Nc1nnc(C2CCCCC2)s1 12984228 OHAPULQPRFIPCT-UHFFFAOYSA-N 319.405 3.906 0 40 DHAB O=C(Nc1ccc(SCc2cccc(Cl)c2)nn1)C1CC1 13702034 DXDHODGVEKAPQJ-UHFFFAOYSA-N 319.817 3.771 0 40 DHAB O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccccc1 16092688 POTAXTQTIRTLGP-UHFFFAOYSA-N 303.166 3.761 0 40 DHAB COc1cc(Cl)c(C)cc1NCC(=O)NC1CCCCCC1 21890637 SMFUMYLNKBRUAK-UHFFFAOYSA-N 324.852 3.908 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)cc1F 22532466 FJJUIXGPRBREKH-LLVKDONJSA-N 305.324 3.933 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22540289 QZOMQSUUSRKKOY-INIZCTEOSA-N 317.454 3.960 0 40 DHAB Cc1cc(CN[C@H](C)[C@H](O)c2ccc(O)cc2)c(C)n1C(C)C 23673487 POCGPUUYGAXVLS-KUHUBIRLSA-N 316.445 3.603 0 40 DHAB Clc1ccc(-c2n[nH]c(SC[C@@H]3CCCCO3)n2)cc1 28869232 ORTMNQRSYIGRGQ-LBPRGKRZSA-N 309.822 3.786 0 40 DHAB CCN(Cc1nonc1C)C(=O)C1CCC(C(C)(C)C)CC1 32648321 PIFDIZQZKXKDJR-UHFFFAOYSA-N 307.438 3.579 0 40 DHAB CCc1nnsc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 32740732 KNZWCPOTMWFYDJ-UHFFFAOYSA-N 321.405 3.924 0 40 DHAB CCOc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1 33418651 BDMYNGAJMOCKJQ-UHFFFAOYSA-N 316.382 3.777 0 40 DHAB Cc1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 33655475 MFNIBDUFHAUNNG-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB CCC/C=C(/CC)[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 33732300 DMZJJDDAKLEIIG-DSKWWVGFSA-N 312.413 3.944 0 40 DHAB Cc1cccnc1NC(=O)CSc1nc2ccccc2s1 40176675 HLDVPIPMJKVAFV-UHFFFAOYSA-N 315.423 3.731 0 40 DHAB CC(C)c1ccc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1 40309981 DWFMRWCKZQXXCA-QUCCMNQESA-N 306.409 3.735 0 40 DHAB biogenic Cc1ccc(CN(CCCn2ccnc2)Cc2ccsc2)o1 43277748 HJBCONLOSUYKIC-UHFFFAOYSA-N 315.442 3.939 0 40 DHAB COc1cc(C)c(N[C@H](C)c2nc(C(C)(C)C)no2)cc1OC 44072649 URNSPFHYEIKXRF-LLVKDONJSA-N 319.405 3.866 0 40 DHAB Cc1noc([C@@H]2CCCN(Cc3csc(C(C)(C)C)n3)C2)n1 54676384 SDHHLGWXOCYPLX-GFCCVEGCSA-N 320.462 3.512 0 40 DHAB C[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1 57722119 NURBNWLPVWCXFH-SUMWQHHRSA-N 316.832 3.820 0 40 DHAB Cc1cn2cc(NC(=O)C3(c4cccc(F)c4)CCC3)ccc2n1 58419064 GZCCAMJWWOZAOI-UHFFFAOYSA-N 323.371 3.842 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@H](C)CC1 58425289 OZLCRXVDZFJECL-LBPRGKRZSA-N 300.377 3.945 0 40 DHAB O=C(c1cc(Cl)c(Br)c(Cl)c1)N1CCCC1 59842930 MZJGJRKROCOUFD-UHFFFAOYSA-N 323.017 3.992 0 40 DHAB Cc1ncsc1C(=O)Nc1ccc(Oc2ccccc2)nc1 67680337 TUEWYHFUWFVUGP-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cnn2c1CCCC2 72145708 UTDIOKFKWCFDNT-CYBMUJFWSA-N 322.412 3.534 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N(Cc1nccn1C(F)F)C1CC1 76368976 JIOSXHAYTZXQQE-YNEHKIRRSA-N 323.387 3.596 0 40 DHAB Cc1ccc(C)c([S@@](=O)Cc2cc(F)cc3c2OCOC3)c1 79106440 BMFDIZMVAOATHE-JOCHJYFZSA-N 320.385 3.617 0 40 DHAB Cc1ccc(S[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 79440772 AMOUEFZHKUELOS-ZDUSSCGKSA-N 308.447 3.882 0 40 DHAB COc1cc(-c2nc(-c3ccccc3Cl)n[nH]2)ccc1O 85384150 YELWSGJUDZZZCS-UHFFFAOYSA-N 301.733 3.506 0 40 DHAB C[C@@H](NCCCC(=O)N1Cc2ccccc2C1)c1ccsc1 89597232 NROAUEHZQRJJEQ-CQSZACIVSA-N 314.454 3.721 0 40 DHAB Cn1c(CN2CCC[C@H]2c2ccccc2)nnc1-c1ccccc1 89741447 RECDDNNXLZHMJT-SFHVURJKSA-N 318.424 3.819 0 40 DHAB C[C@H](N(C)C(=O)CSCCCc1ccccc1)C1(C)CC1 89894141 WIIQDMRMPYNRFV-HNNXBMFYSA-N 305.487 3.999 0 40 DHAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)c1ccncc1 91842315 RHHZDEQVKUGGNC-ROUUACIJSA-N 308.425 3.588 0 40 DHAB O=C(OCc1cnc(-c2cccs2)o1)c1cccnc1Cl 96418404 UUTBJBNKAPDBDU-UHFFFAOYSA-N 320.757 3.809 0 40 DHAB C[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CCO1 108166857 DUGRLGVSAQDDHK-NQBHXWOUSA-N 315.335 3.698 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(F)c1 113951655 ABCCHKQTIRSCJU-INIZCTEOSA-N 303.333 3.630 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(C)c1 113959754 HHXFTBAGWMZRRF-INIZCTEOSA-N 301.361 3.608 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(COC)c1 175245590 LKYBONVRCIVLIK-INIZCTEOSA-N 317.360 3.768 0 40 DHAB CCCCOc1ncc(NC(=O)C(C)(C)OCCC)cc1C 225903189 KDDHHKVJANWGNA-UHFFFAOYSA-N 308.422 3.713 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCCSC2CCOCC2)cc1 238948613 WQWXUXYRSPNDEU-UHFFFAOYSA-N 321.486 3.626 0 40 DHAB C[C@@H]1C[C@@H]1c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 525713913 SLUCCVYBNVWXMQ-KCJUWKMLSA-N 300.358 3.914 0 40 DHAB CC[C@@H](C)Oc1ccc(-c2noc([C@H]3C[C@H]4CC[C@H]3O4)n2)cc1 680752811 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Cc1nccn1-c1ccccc1CNC(=S)Nc1ccccc1 20451814 FRZYLMPZHJMRKZ-UHFFFAOYSA-N 322.437 3.667 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1C(=O)NCc1ccco1 24720173 MKECKHAWRKIGLO-CQSZACIVSA-N 324.380 3.504 0 40 DHAB O=C(CCc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 24992315 UEFACODTMQDBEF-UHFFFAOYSA-N 306.818 3.857 0 40 DHAB C/C(=C/C(=O)O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 26444481 GZDIRHDQLKWMBP-DJWKRKHSSA-N 308.548 3.616 0 40 DHAB COC(=O)c1occc1CSc1nc2ccccc2nc1C 28191601 SYMXJIVPBDQRKJ-UHFFFAOYSA-N 314.366 3.610 0 40 DHAB CN(Cc1ccccc1)C(=O)NCCCCOc1ccccc1 32795333 BHWWKYICWZRKHJ-UHFFFAOYSA-N 312.413 3.687 0 40 DHAB Cc1cc(NCc2cccc(NC(=O)c3ccco3)c2)nc(C)n1 32825048 CCCYIQLPQZHPCF-UHFFFAOYSA-N 322.368 3.551 0 40 DHAB CCCc1ccc([C@@H](NC(=O)c2cnn(C)c2C)C(C)C)cc1 32879966 NKVFHRUSURAPNK-SFHVURJKSA-N 313.445 3.808 0 40 DHAB NC(=O)c1c(Cl)nsc1-c1cc(Cl)cc(Cl)c1 35973674 MLBYWMGLZYPTPB-UHFFFAOYSA-N 307.589 3.869 0 40 DHAB Cc1ccc2ncn(Cc3c(F)cccc3Cl)c(=O)c2c1 40117066 ZAYSIADJISHGOP-UHFFFAOYSA-N 302.736 3.546 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)Nc1cccc(NC(=O)C2CC2)c1 44103393 RYRLAORRVDIOMY-CYBMUJFWSA-N 317.433 3.981 0 40 DHAB Cc1nsc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n1 55211933 FRCOCENMGUAHGK-CYBMUJFWSA-N 320.393 3.745 0 40 DHAB CC(C)(C)C[C@@H]1CCCN1C(=O)NCCSC(F)(F)F 61865945 JNPWXBCNUOSGLT-JTQLQIEISA-N 312.401 3.850 0 40 DHAB O=C(/C=C/c1nc2ccccc2o1)Nc1cccc2[nH]ccc12 65476986 ISYZCINYEWTZFX-CMDGGOBGSA-N 303.321 3.961 0 40 DHAB CCc1nc(CN(C)C(=O)[C@H]2C[C@@H]2c2cccc(C)c2)cs1 69366911 MIKMPBAFGQYEMH-CVEARBPZSA-N 314.454 3.776 0 40 DHAB Cc1noc([C@@H](C)Sc2nnc(-c3sccc3C)o2)n1 69562225 JLOFKADBEQHSBB-SSDOTTSWSA-N 308.388 3.651 0 40 DHAB CN(C(=O)c1ccc(Cn2ccnc2)o1)C1CCCCCCC1 69816810 ZKBJMCXICOADQT-UHFFFAOYSA-N 315.417 3.709 0 40 DHAB CC[C@@H](C(=O)N[C@H]1CCc2cc(F)ccc21)c1c(C)noc1C 71853789 GRQURZKPBYWOIX-ZBFHGGJFSA-N 316.376 3.728 0 40 DHAB CCCCS(=O)(=O)N[C@H](Cc1ccccc1)c1ccccc1 72273006 UHWDOROBTHEMQZ-GOSISDBHSA-N 317.454 3.690 0 40 DHAB Cc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 72331203 IEUFIFJWEDFQAB-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cccn1C 79000981 VVCMAMUKRAXBNB-UHFFFAOYSA-N 319.408 3.571 0 40 DHAB CN(C(=O)CCn1cnc2ccccc21)C1CCCCCCC1 83855639 KXKAIECYWGSIFB-UHFFFAOYSA-N 313.445 3.998 0 40 DHAB C[S@](=O)c1cccc(NCc2cnc(C(C)(C)C)s2)c1 89761520 RTUQPKVDFYKSOD-HXUWFJFHSA-N 308.472 3.790 0 40 DHAB Cc1noc(-c2cccnc2N2CCC[C@H]2c2cccs2)n1 95402803 CDIPCVWGXCTDTO-ZDUSSCGKSA-N 312.398 3.843 0 40 DHAB CC(C)(C)n1cc(CNc2ccc(-n3ccnc3)c(F)c2)cn1 95428757 OMQDAUULDQLHLN-UHFFFAOYSA-N 313.380 3.575 0 40 DHAB CO[C@@H](C)c1cccc(NCc2ccc([S@@](C)=O)cc2)c1 95428993 WIIDWTREUDMRSH-ZSEKCTLFSA-N 303.427 3.744 0 40 DHAB COC(=O)CC(C)(C)CC(=O)Nc1sc2c(c1C)CCCC2 95453133 OVETUHPIMGYBPO-UHFFFAOYSA-N 323.458 3.853 0 40 DHAB CCN(CC)[C@@H](C(=O)OCc1ccoc1C)c1ccccc1 95468952 PGDQGRLHZKGKEG-QGZVFWFLSA-N 301.386 3.714 0 40 DHAB Cc1nc(C(C)C)c(C(=O)Nc2ccc3c(c2)ncn3C)s1 96223366 SMKCOHTXOQQSBL-UHFFFAOYSA-N 314.414 3.714 0 40 DHAB O=[S@@](Cc1csc(-c2ccccn2)n1)c1cccs1 96482607 ZYNFAICVABSREP-LJQANCHMSA-N 306.437 3.574 0 40 DHAB CCN1C(=O)S/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 96565167 ONYFTURHZIXXNB-JXMROGBWSA-N 301.289 3.762 0 40 DHAB CCOCCSc1ccnc2cc(Br)cnc12 97163344 ANKCQYSJFAMGPF-UHFFFAOYSA-N 313.220 3.521 0 40 DHAB Cc1csc(C2=C(O)CN(c3ccccc3Cl)C2=N)n1 102739810 SBSGKIHLTZFUET-UHFFFAOYSA-N 305.790 3.871 0 40 DHAB C[C@@H](CC(=O)NCCCN1C[C@H](C)C[C@@H](C)C1)c1ccccc1 106088390 NYEWLKFVPFIXQH-KURKYZTESA-N 316.489 3.664 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NC(C(C)C)C(C)C 113942514 SVZCYOXDNXWGLI-INIZCTEOSA-N 307.434 3.649 0 40 DHAB CC(C)c1cnc(NC(=O)Nc2cc([C@@H]3C[C@H]3C)n[nH]2)s1 192390494 ITKPYVHQWXZMCT-RKDXNWHRSA-N 305.407 3.757 0 40 DHAB CCn1cc(OCc2csc(-c3ccccc3OC)n2)cn1 193556148 IGHVZYBYNFBBSB-UHFFFAOYSA-N 315.398 3.614 0 40 DHAB Cc1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1 222759865 KSRWHPAUMYFBEP-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB CCc1ccc(OCCNC(=O)/C=C/c2ccc(C)cc2)cc1 223449964 RWTZIXPHGYKALG-JLHYYAGUSA-N 309.409 3.766 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C 224397264 ZABHDTBREJCRKG-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB COc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 225571381 ACWIANGEYLRGSL-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB COC(=O)c1ccc(Cc2ccccc2)n1Cc1ccccc1 226027950 HMNFSINFYKPEIZ-UHFFFAOYSA-N 305.377 3.914 0 40 DHAB CCOc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1 226034903 FNZSZGDHDUXNSC-UHFFFAOYSA-N 323.348 3.752 0 40 DHAB CC1CCN(C[C@@H](O)CCO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 253531678 VKHVDMQUWAJNHZ-AJYBTWMASA-N 323.521 3.701 0 40 DHAB CO[C@H](C)c1cccc(NCC(=O)N[C@H]2CCCC[C@@H]2C)c1 330465945 WJNFCUQYMAZEKD-VBQJREDUSA-N 304.434 3.501 0 40 DHAB O=C(c1ccccc1)N1CCC(c2ccc3cccnc3n2)CC1 655265359 QGXDRZLYZUCLDK-UHFFFAOYSA-N 317.392 3.650 0 40 DHAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 183423 KPUUPZNXZNOWIA-UHFFFAOYSA-N 314.341 3.851 0 40 DHAB Cc1cccc(C(=O)Nc2nnc(CCc3ccccc3)s2)c1 191537 QYTGTQOLTKKFDE-UHFFFAOYSA-N 323.421 3.884 0 40 DHAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2C)c1 361183 SMNQEUXIOUMLPB-UHFFFAOYSA-N 314.410 3.521 0 40 DHAB COc1cc(-c2nc3ccccn3c2NC(C)(C)C)ccc1O 411923 VMCZBUFCIFQGCD-UHFFFAOYSA-N 311.385 3.926 0 40 DHAB CCCCCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 2052326 SRQWYOFKSZXWAQ-UHFFFAOYSA-N 310.825 3.695 0 40 DHAB O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1ccco1 5068292 JBQKYEOQIDGEDG-MRXNPFEDSA-N 309.365 3.905 0 40 DHAB COc1ccc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)[nH]c2c1 5323164 OPLKWPSVTDQTQN-UHFFFAOYSA-N 324.424 3.875 0 40 DHAB O=Cc1cn(Cc2nc(-c3ccccc3)no2)c2ccccc12 5900055 YGNMOWBSOZVOJT-UHFFFAOYSA-N 303.321 3.552 0 40 DHAB CCOc1ccc(N2C(=O)S/C(=C/c3ccco3)C2=O)cc1 5959367 QWIDKSQZFWZIAY-GXDHUFHOSA-N 315.350 3.919 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 7403688 LJALAMAMJLGKDC-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CCCc1nnc2sc(COc3ccc4ccccc4c3)nn12 8392287 PKMZTSOSCGOVEJ-UHFFFAOYSA-N 324.409 3.871 0 40 DHAB Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1C 12775927 RSAGAIFIDZPYMQ-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB CC(=O)c1ccc(OC(=O)c2cc(Cl)nc(Cl)c2)cc1 12921155 KTYKSSYAHXULSI-UHFFFAOYSA-N 310.136 3.810 0 40 DHAB Cc1ccc(CN[C@@H](c2ccc(C)cc2C)P(=O)(O)O)cc1 12997470 JSHUXALHHSMGIJ-QGZVFWFLSA-N 319.341 3.578 0 40 DHAB CCc1ccccc1NC(=O)/C=C/c1ccc(COC(C)=O)o1 13041320 NTFBTUCXARCMFN-ZHACJKMWSA-N 313.353 3.557 0 40 DHAB O=C(CN1CCCCCC1)Nc1cccc(Cl)c1Cl 13061898 SZDNXBGHGABXTH-UHFFFAOYSA-N 301.217 3.808 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1 15636384 YQOQUDSOMGOHQG-UHFFFAOYSA-N 312.316 3.903 0 40 DHAB COc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)ccc1O 16698661 JBPHRNIKVNCWPR-SDQBBNPISA-N 301.729 3.547 0 40 DHAB biogenic CCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 18051169 CQQJWVZDAUIMFN-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB C[C@@H](c1nnc(S)n1-c1ccc(Cl)cc1)N1CCCCC1 19230007 IROPFSZZIGTKJU-NSHDSACASA-N 322.865 3.756 0 40 DHAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1C[C@@H](C)O[C@H](C)C1 20963686 JETKPNKLDQCJMG-UTUOFQBUSA-N 321.808 3.560 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)no2)cc1 21524288 TUURTJGPZVMKJC-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB Cc1ccc2c(NC(=O)c3ccc4nsnc4c3)cccc2n1 21596025 CBBSOFNJBAKWQH-UHFFFAOYSA-N 320.377 3.800 0 40 DHAB Cc1ccsc1C(=O)NC[C@H](Nc1ccccc1)C(C)C 22878137 HLLPZKMUVBBDQR-HNNXBMFYSA-N 302.443 3.923 0 40 DHAB COC(=O)c1c(C)[nH]c(-c2csc(-c3ccncc3)n2)c1C 23623317 OTCIZAFFVMWQSS-UHFFFAOYSA-N 313.382 3.604 0 40 DHAB CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 23715246 PPXJGWAJXGJHEZ-GOSISDBHSA-N 308.381 3.814 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)ccc2C)c1 26391728 AFOCKANFLBJEHF-CQSZACIVSA-N 313.397 3.812 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)n1C 30465464 XTNGXNHGRIHAPK-NSHDSACASA-N 321.218 3.587 0 40 DHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@H]1CC=CCC1 32776642 XGPQOWHPUHBKNG-WMLDXEAASA-N 301.386 3.539 0 40 DHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 32841273 GTPCRJPFNQUHCJ-UHFFFAOYSA-N 313.184 3.928 0 40 DHAB CCCOc1ccccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 32958186 YHTRJWMXGDWDNB-GJZGRUSLSA-N 305.418 3.644 0 40 DHAB Fc1cccc(-c2nnc3sc(-c4ccsc4)nn23)c1 35324087 TVVVREMXFMYIDN-UHFFFAOYSA-N 302.359 3.720 0 40 DHAB Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c(C)o1 36659480 VWBVHQKIVBEWLB-UHFFFAOYSA-N 323.308 3.945 0 40 DHAB C[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccncc1 48231619 OTJJLAACAUJVJH-SNVBAGLBSA-N 308.353 3.887 0 40 DHAB O=c1[nH]c(-c2ccsc2)nc2sc3c(c12)CCSC3 48622785 SBJIIISKTAQANN-UHFFFAOYSA-N 306.437 3.502 0 40 DHAB Cc1cc2cc(NC(=O)c3cc(-c4cccnc4)on3)ccc2[nH]1 52589066 YXWQYGGLMWVYOD-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB CCCCN[C@@H]1C(C)=C(C)C(=O)N1[C@@H](C)CCc1ccccc1 57270775 SSBLOYDKKYDGAY-KXBFYZLASA-N 314.473 3.902 0 40 DHAB CCOc1ccc(-c2cc(C(=O)N(C)c3ccccc3)n[nH]2)cc1 57412441 TWKSQCHTZYDJGY-UHFFFAOYSA-N 321.380 3.752 0 40 DHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)C(C)C 57545360 SAEGAQNITORTQQ-GFCCVEGCSA-N 303.406 3.510 0 40 DHAB Cc1nc(CSc2nc(-c3ccccc3F)n[nH]2)cs1 66275684 KAYPLYIMUASCFJ-UHFFFAOYSA-N 306.391 3.668 0 40 DHAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cc(-c3cccs3)on2)c1 69652045 DIRLBZVDSBBGDA-OLZOCXBDSA-N 316.430 3.647 0 40 DHAB Cc1[nH]c(=S)ccc1C(=O)CCCNC(=O)OC(C)(C)C 72218364 WQZKRTWNSZUHGP-UHFFFAOYSA-N 310.419 3.540 0 40 DHAB C[C@@H](CNC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 73023126 TZLGSIQUEBXENR-KRWDZBQOSA-N 322.452 3.816 0 40 DHAB C[C@H](C(=O)Nc1cccc(Nc2ccccc2)c1)n1ccnc1 75138616 VQHVKLUWDGEVFF-CQSZACIVSA-N 306.369 3.826 0 40 DHAB CCO[C@H](C)c1nc(CN(C(C)C)C2CCOCC2)cs1 77322862 QDPAUEJDBPJMPP-CYBMUJFWSA-N 312.479 3.630 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NC[C@H]2CCO[C@H]2C(C)C)c1 78542949 YRAXGDHGQCSCKB-UNEWFSDZSA-N 320.433 3.577 0 40 DHAB C1=C[C@@](C2=NCCO2)(c2ccccc2)NC(c2ccccc2)=C1 87493188 GKPCOLDUQIPRHS-FQEVSTJZSA-N 302.377 3.511 0 40 DHAB C[C@@H]1C[C@@H](NCCc2ccccc2F)CN1Cc1ccccc1 95419365 JAPHTMCASRQQGO-VQIMIIECSA-N 312.432 3.621 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c(C)c1 95463206 ZDLUPHMYEUONRS-QGZVFWFLSA-N 310.441 3.554 0 40 DHAB Cc1csc(NC(=O)CC2(n3cccc3)CCCCC2)n1 95480562 FIKOLLCEMVZNTD-UHFFFAOYSA-N 303.431 3.941 0 40 DHAB CN(C(=O)c1cc(C2CC2)on1)[C@@H](c1ccc(F)cc1)C1CC1 95960760 LTFXTTSMDNEVLA-QGZVFWFLSA-N 314.360 3.914 0 40 DHAB CCn1c(CN(C)Cc2csc(C)n2)nc2c(F)cccc21 96403952 VVJCFJWQCQEUPP-UHFFFAOYSA-N 318.421 3.592 0 40 DHAB CCSc1ccc(Cl)cc1C(=O)N1CCC(OC)CC1 96460055 FKVSFVOZVIZNTC-UHFFFAOYSA-N 313.850 3.703 0 40 DHAB CC[C@@H](NCc1nnc2ccccn12)c1cccc(Cl)c1 97971392 RMSSYNGLJALLNV-CQSZACIVSA-N 300.793 3.624 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Oc1ccc(N2CCCC2=O)cc1 104877713 XQJZOZPTKWNJGD-KKUMJFAQSA-N 313.397 3.545 0 40 DHAB CCOC(=O)c1nc(-c2cc(Cl)ccc2Cl)ns1 199565684 HCFDPNGUZACODN-UHFFFAOYSA-N 303.170 3.689 0 40 DHAB CCOC(=O)c1ccc(C)nc1-c1ccc(Br)cc1 199816933 VGBOVGUDNIXSEO-UHFFFAOYSA-N 320.186 3.996 0 40 DHAB CCOC(=O)/C=C/c1ccc(OCc2cccnc2)c(Cl)c1 216888177 WLBOEIKINYSVTC-SOFGYWHQSA-N 317.772 3.890 0 40 DHAB Cc1ccccc1OCC(=O)NCc1cccc2ccccc12 222824887 URYRWPHDFIMLCY-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB CCc1ccc(CC(=O)NCCOc2cc(C)cc(C)c2)cc1 224110380 ODPBSPCJOHQOBU-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB COc1ccc(C)cc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 225117496 RDKUXRDPKJPVKF-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc2cc(C)ccc2oc1=O 226036939 MHCPASJPWBGMSU-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB C[C@H](C[C@@H](O)c1ccco1)N[C@H]1CCCNc2ccccc21 249040615 UTOWXQLRNWTZFN-XOKHGSTOSA-N 300.402 3.628 0 40 DHAB CN(C)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 408821838 KRQXSPORHJDDEG-RAXLEYEMSA-N 314.366 3.587 0 40 DHAB COC1(c2noc(-c3ccncc3C(F)(F)F)n2)CCCC1 585133798 VXKASWQWROKLHG-UHFFFAOYSA-N 313.279 3.566 0 40 DHAB O=S(=O)(c1ccc(/C=C/c2ccccc2)cc1)N1CCCC1 194698 FBPZXPXFIURPFI-CMDGGOBGSA-N 313.422 3.642 0 40 DHAB CCOc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O 430184 KEPVTCUHXJVXCQ-PTNGSMBKSA-N 311.312 3.569 0 40 DHAB CC(C)OC(=O)CSc1nc(C2CC2)nc2ccccc12 1332593 XBMJCCRAUKRWDY-UHFFFAOYSA-N 302.399 3.551 0 40 DHAB COc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 2628794 SHPAEEFRPNHCRA-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB Cc1cccc(N[P@](C)(=O)c2nc3c(s2)CCCC3)c1 3196155 CKTWSEFPYXPJJG-LJQANCHMSA-N 306.371 3.976 0 40 DHAB Oc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 3896488 RWJGJZGJMJEFSQ-UHFFFAOYSA-N 308.385 3.847 0 40 DHAB C[C@H](NC=O)c1nc2ccccc2n1C/C=C\c1ccccc1 5235858 DWHGURBJURRFMY-XMELGKRDSA-N 305.381 3.557 0 40 DHAB CCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1 5545858 DBMLACHGRBKUJC-UHFFFAOYSA-N 321.424 3.543 0 40 DHAB COc1ccc([S@@](=O)Nc2cc(C)cc(C)c2)c(OC)c1C 5724843 ZXIBQEWZCTVUTQ-QFIPXVFZSA-N 319.426 3.764 0 40 DHAB O=Cc1cccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 6051648 GRNWZOMAWOVIIP-UHFFFAOYSA-N 323.270 3.535 0 40 DHAB COc1ccc(SCC(=O)N[C@H](C)c2ccccc2)cc1 7123418 RCLFJBYRHCQPOB-CYBMUJFWSA-N 301.411 3.665 0 40 DHAB Cc1ccc(NC(=S)NCCCOC(C)C)cc1Cl 7636724 MYMBTGGQQYDFFZ-UHFFFAOYSA-N 300.855 3.750 0 40 DHAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1O 7885941 NAENEKHLSLNCLM-SFHVURJKSA-N 324.380 3.520 0 40 DHAB O=C(/C=C/c1ccco1)NCCOc1ccc2ccccc2c1 8116277 PLNZSXLBBFYYCD-MDZDMXLPSA-N 307.349 3.641 0 40 DHAB O=C(Nc1ccccc1)c1cc(Cl)c2c(c1)OCCCO2 8708803 VNPLLZACXDTNGP-UHFFFAOYSA-N 303.745 3.754 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1F 9364893 YAKCBKZOXKWGQM-KRWDZBQOSA-N 323.371 3.988 0 40 DHAB Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1C 12546527 JFFJBJRJHGSKIF-UHFFFAOYSA-N 313.426 3.504 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3cccc(Cl)c3)cnc21 12770266 VGFCKMGKVQXRME-UHFFFAOYSA-N 314.776 3.918 0 40 DHAB COc1ccccc1C(=O)NCCCc1ccccc1Cl 13669619 GWZUMPNORLJHDG-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB CCOc1ccc/c(=N\c2ccccc2N)c2c(C)[nH]c(C)c12 13800002 XHJJTHJHCWVHGX-CJLVFECKSA-N 307.397 3.998 0 40 DHAB CC(C)c1ccc2[nH]c(=O)c(CNCc3ccccc3)cc2c1 13998435 XYAALAPOJRDANA-UHFFFAOYSA-N 306.409 3.941 0 40 DHAB COc1c(F)c(F)c(C(=O)Nc2cccc(F)c2)c(F)c1F 14258226 LNOMSYGAVKLIAV-UHFFFAOYSA-N 317.213 3.643 0 40 DHAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(F)cc2)c1 14573462 LLMXEMWCOIOXFB-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB CCNC(=O)N1c2ccccc2-c2nc3ccccc3n2[C@@H]1C 17031324 SWWGWZXRZGULDQ-LBPRGKRZSA-N 306.369 3.771 0 40 DHAB Cc1ccc(C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 17249934 GUKBEEZJPOIOST-UHFFFAOYSA-N 307.392 3.885 0 40 DHAB Cc1ccc2c(c1)Sc1ccccc1C[C@@H]2N1CCN(C)CC1 22876356 ANCXKMUBJDEPRX-SFHVURJKSA-N 324.493 3.991 0 40 DHAB COc1ccccc1CNC(=O)CCc1ccccc1Cl 23235806 YHSFOXFMCPHWIU-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 24923598 FNHYRWKZCMTADH-ZDUSSCGKSA-N 305.377 3.913 0 40 DHAB COc1ccc(NC(=O)c2ccc(CNC(C)(C)C)cc2)cc1 27342375 MMMBPHCLFGQSII-UHFFFAOYSA-N 312.413 3.836 0 40 DHAB Cc1occc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 31127872 WBDVHDAQUIDSHJ-CYBMUJFWSA-N 310.353 3.749 0 40 DHAB C[C@H]1C[C@@H](OC(=O)CCC(=O)Nc2cccc(F)c2)CC[C@H]1C 35655096 UOUSFOZEGXXNBT-WWGRRREGSA-N 321.392 3.912 0 40 DHAB CC[C@H](C)C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 37143070 JRAAQJABFOSELN-ZETCQYMHSA-N 314.361 3.695 0 40 DHAB CSc1ccc(CN(C)C(=O)c2cc(F)cc(F)c2)cc1 40159564 OUBZFEIKZKQWNC-UHFFFAOYSA-N 307.365 3.959 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478380 SLAQTPFXTIDTHT-GFCCVEGCSA-N 321.355 3.807 0 40 DHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCc2sccc2C1 40485199 NBKULRTYCALXHN-JTQLQIEISA-N 317.439 3.979 0 40 DHAB CCC[C@@H](C(=O)NCCc1csc(C)n1)c1ccccc1 40489813 LOTVRPDZSBZXBA-MRXNPFEDSA-N 302.443 3.694 0 40 DHAB CCCc1ccccc1NC(=O)NC1CCN(CC(C)C)CC1 44079046 DOVFYVZDNZHVQN-UHFFFAOYSA-N 317.477 3.881 0 40 DHAB COc1cccc(O[C@H](C)C(=O)NC2CCCCCCC2)c1 44840662 FSJVRZZAXZEBRE-CQSZACIVSA-N 305.418 3.692 0 40 DHAB COc1cc(Br)c2oc(-c3ccncc3)nc2c1 45920258 QKGILMNRFUXZAM-UHFFFAOYSA-N 305.131 3.661 0 40 DHAB O=C(CCc1ccccc1O)N1CCC[C@H]1c1ccsc1 47166059 DFGBMTKLGPACGC-HNNXBMFYSA-N 301.411 3.750 0 40 DHAB Cc1noc(COC(=O)c2cccc(Oc3ccccc3)c2)n1 48285750 RFZPIWKUDUVVDH-UHFFFAOYSA-N 310.309 3.527 0 40 DHAB C[C@H](Nc1ccc(NC(=O)c2cnn(C)c2)cc1)c1ccccc1 50005600 MCFVJPCMLLIYCL-AWEZNQCLSA-N 320.396 3.846 0 40 DHAB Cc1ccccc1-c1noc(-c2c[nH]c3ccc(F)cc3c2=O)n1 57354790 GGNXNKRRVYEYHW-UHFFFAOYSA-N 321.311 3.693 0 40 DHAB COc1cccc(NC(=O)CN[C@H](C)c2ccccc2Cl)c1 57456384 KKWMMYWFTQNADB-GFCCVEGCSA-N 318.804 3.638 0 40 DHAB COC[C@H](C)N(C)C(=O)c1ccc2noc(-c3ccccc3)c2c1 58358086 IITDNAMSWCGMLP-ZDUSSCGKSA-N 324.380 3.602 0 40 DHAB COc1ccc(C(=O)N(Cc2ccc(C)o2)C(C)C)c(OC)c1 71817043 KAICQRAPWNEKLQ-UHFFFAOYSA-N 317.385 3.656 0 40 DHAB CC[C@H](C)N(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 71909592 FYXOHHSROZJWLS-WHEQGISXSA-N 324.490 3.996 0 40 DHAB CCOc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72211876 KXXVOEMUMSCGLI-QGZVFWFLSA-N 310.397 3.848 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccccc1OC(F)F 74510620 SIFBJJQFHONPDD-UHFFFAOYSA-N 323.343 3.935 0 40 DHAB CC1CCC(N(Cc2nnc(C(C)C)o2)C[C@@H]2CCCO2)CC1 75833968 PVRSNCAYVDGYDQ-GPANFISMSA-N 321.465 3.753 0 40 DHAB Cc1c([C@@H](C)Nc2cc(-n3ccnc3)ncn2)oc2ccccc12 77191993 FSYJLJAZENQHTI-CYBMUJFWSA-N 319.368 3.890 0 40 DHAB CC(C)(C)OC(=O)N1CCC(O)(c2cccc(Cl)c2)CC1 79030753 QEACSENDPXQEFE-UHFFFAOYSA-N 311.809 3.559 0 40 DHAB COc1ccc2c(c1)c(C(=O)NCc1ccco1)cn2C(C)C 79481304 NDSHOLDKFOGVAT-UHFFFAOYSA-N 312.369 3.754 0 40 DHAB COc1ccccc1/C=C/CNc1ccc(N2CCOC2=O)cc1 89471593 YHSLZGBYIVGHFZ-GQCTYLIASA-N 324.380 3.777 0 40 DHAB CCCC[C@@H](CC)CCN[C@@H]1CCCN(c2cccnn2)C1 95445330 KUMXUKUEQLTAQY-IAGOWNOFSA-N 304.482 3.642 0 40 DHAB CSCC[C@@H](C)NC(=O)c1cnc(C)c(Cl)c1Cl 95985570 AXBMFYBAIGXPSC-SSDOTTSWSA-N 307.246 3.568 0 40 DHAB Cc1nc(N2CCCC2)ccc1N[C@@H](C)c1ccc(F)cn1 97038346 DYDFLPAFQNLDAJ-LBPRGKRZSA-N 300.381 3.697 0 40 DHAB O=C(N[C@H]1CCOC2(CCCCC2)C1)C1(c2ccccc2)CC1 98020538 NZGPMKQAKVEKFC-KRWDZBQOSA-N 313.441 3.716 0 40 DHAB O=C(c1cccnc1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166280 QTOQEDWNWYAQFX-QZTJIDSGSA-N 310.372 3.772 0 40 DHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3c(C)cc(C)cc3C)C(=O)[C@H]12 101115055 KJGGFEKXMLNCIU-LAQRGFTBSA-N 321.420 3.870 0 40 DHAB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(=O)c1ccc(C)cc1 103037757 VLYIVTVGZDRYCO-QGZVFWFLSA-N 306.365 3.525 0 40 DHAB COCO[C@@H]1CCCN(c2ccccc2C(=N)CC(C)C)C1 205139583 OJRUJUHRNMSODK-OAHLLOKOSA-N 304.434 3.690 0 40 DHAB in-vitro COc1ccccc1N1C(=O)S/C(=C\c2ccco2)C1=O 210130937 YUMJWTBWTXMRDP-LCYFTJDESA-N 301.323 3.529 0 40 DHAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)c1 214628020 GARMVCLHGKHNBM-MHWRWJLKSA-N 324.405 3.935 0 40 DHAB C[C@@H]1CCCN(c2ccc(NC(=S)NC3CCCC3)cn2)C1 224034898 ZBVLKJSUSKKBEF-CYBMUJFWSA-N 318.490 3.547 0 40 DHAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1 224083110 XBSAQVXSZNIYFP-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB O=C(NCC1CCCCC1)c1ccc(N2CCCCC2)cc1 224125541 HPMPRLNEFSFCRD-UHFFFAOYSA-N 300.446 3.987 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NC[C@H](C)c1ccccc1 224616497 YCDLLOVYXHNXTI-YOEHRIQHSA-N 315.388 3.903 0 40 DHAB Cc1cc(N)cc(Cl)c1NC(=O)COc1c(C)cccc1C 227145258 SQXRPSYILALVNW-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cnc(O)c2ccccc12 527292632 DAQDBWOEPMPFFQ-SGTLLEGYSA-N 318.376 3.604 0 40 DHAB O=C(Nc1ncccn1)[C@H](Sc1ccccc1)c1ccccc1 168363 OGMTYYMYIJQLGK-MRXNPFEDSA-N 321.405 3.949 0 40 DHAB CC[C@](C)(C(=O)NC1CCCC1)N(C(C)=O)c1ccc(C)cc1 246482 IYCQPHPJQYJBJL-LJQANCHMSA-N 316.445 3.575 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1OCC 505329 FKHHCTOXCFNFBP-AWEZNQCLSA-N 313.397 3.975 0 40 DHAB C[C@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 532056 BVAHUPJKKPLIFL-LURJTMIESA-N 304.202 3.688 0 40 DHAB CC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCCC3 533321 MFSMDRGLYUVOSG-ZDUSSCGKSA-N 314.381 3.727 0 40 DHAB CC(=O)Nc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 1238669 SBCKMOXRURGLGK-UHFFFAOYSA-N 320.146 3.544 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2s1 1576755 OOGPSAPSNYTFTK-UHFFFAOYSA-N 323.826 3.924 0 40 DHAB O=C(COC(=O)c1cccc(Cl)c1)NC1CCCCCCC1 3385896 XFZKHCJXJPASHV-UHFFFAOYSA-N 323.820 3.726 0 40 DHAB O=C(COC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 3398788 MHQIFIVGMZVPSY-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB COc1ccccc1CNC(=O)/C=C/c1cccc(Cl)c1 3614990 JYLZOEIEIOABOL-MDZDMXLPSA-N 301.773 3.678 0 40 DHAB O=C(CSCc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 4179418 FVARRZHXSIQVPL-GUTXKFCHSA-N 309.862 3.878 0 40 DHAB CC(C)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305529 QYEHGRWHGVYWIZ-INIZCTEOSA-N 314.454 3.624 0 40 DHAB O=C(c1ccncc1)c1ccc(NC(=O)c2ccccc2F)cc1 4525660 JRBVXDOXAMHZME-UHFFFAOYSA-N 320.323 3.704 0 40 DHAB Cc1cccnc1N(C(=O)c1ccccc1)C(=O)c1ccccc1 4710354 SSQGHUHHQXYVBJ-UHFFFAOYSA-N 316.360 3.877 0 40 DHAB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccc(F)cc1 5308539 MDPZURNWAAOQJN-JTQLQIEISA-N 318.369 3.804 0 40 DHAB O=C1S/C(=C\Nc2ccccc2)C(=O)N1Cc1ccccc1 5799888 RLSOZYBXRUYTMF-PTNGSMBKSA-N 310.378 3.836 0 40 DHAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 5857440 SBDBZYNNIINXHY-UHFFFAOYSA-N 320.392 3.861 0 40 DHAB COCc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12 6339626 YRERULHNGKQWFZ-UHFFFAOYSA-N 311.337 3.840 0 40 DHAB Cc1csc(NC(=O)Cc2c(C)nc3ccccc3c2C)n1 6507415 XNBFOIDHMHXOEZ-UHFFFAOYSA-N 311.410 3.798 0 40 DHAB C[C@@H](NC(=O)Cc1ccccc1)c1ccc(Br)cc1 6652348 UKUFSUWYMAXMLE-GFCCVEGCSA-N 318.214 3.869 0 40 DHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(F)(F)F)c1 8071232 GRNFHYMVTVVPDK-UHFFFAOYSA-N 308.687 3.579 0 40 DHAB COc1cccc2sc(NC(=O)c3ccccc3F)nc12 8237150 BHTODPVIIUWOEG-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 12763850 XUSVRNUVMDPBNZ-JKIFEVAISA-N 322.408 3.772 0 40 DHAB Cc1ccc(Cc2c(C)nc(Nc3ccc(F)cc3)[nH]c2=O)cc1 13637074 RVQTUARJRIRILY-UHFFFAOYSA-N 323.371 3.860 0 40 DHAB Cc1ccc(-c2cc(Nc3ccc(C(N)=O)cc3)nc(C)n2)cc1 15859134 JVRKXQHRTZVFFG-UHFFFAOYSA-N 318.380 3.603 0 40 DHAB Cc1ccccc1CN1CCN(c2nc3ccccc3s2)CC1 20405007 OQFMIQPQTVSISB-UHFFFAOYSA-N 323.465 3.927 0 40 DHAB CCN(CC)Cc1ccccc1CNC(=O)c1sccc1C 21639429 BYJWLYOASYOHSB-UHFFFAOYSA-N 316.470 3.828 0 40 DHAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 22529205 VFKVDUSNJPETLC-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB C[C@@H](NC(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCCO1 26399652 GTJZMZFVHYAQPH-CRAIPNDOSA-N 324.424 3.643 0 40 DHAB CCOc1ccc(CCC(=O)Nc2nc(C)c(C)s2)cc1 28250319 BGTRXZMDIWITJT-UHFFFAOYSA-N 304.415 3.730 0 40 DHAB COc1ccc(Cl)cc1/C=C1\SC(=O)N(C(C)C)C1=O 32109765 FAYYREFSHZGFLJ-GHXNOFRVSA-N 311.790 3.793 0 40 DHAB CN(C)c1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1 32275167 FAPXNOXKLZJBMT-UHFFFAOYSA-N 308.385 3.536 0 40 DHAB COC(=O)c1cc(F)ccc1NC(=O)/C=C/c1cccc(C)c1 40142718 HNLALWUBYTYMAA-RMKNXTFCSA-N 313.328 3.573 0 40 DHAB COc1cccc(-c2nc(CNc3ccc(Cl)cc3)n[nH]2)c1 40174519 QHUFRDGZWCPTBS-UHFFFAOYSA-N 314.776 3.746 0 40 DHAB c1cncc(-c2n[nH]cc2CN[C@H]2CCCc3ccccc32)c1 42907887 HUPNTWQXKNMIBS-SFHVURJKSA-N 304.397 3.639 0 40 DHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 48331749 YSOKLTXJJVGHJR-ZBFHGGJFSA-N 314.429 3.644 0 40 DHAB CSCC(=O)Nc1cccc(CSc2ccccn2)c1 50248296 JYKPOKVRGCERGD-UHFFFAOYSA-N 304.440 3.675 0 40 DHAB Cc1noc([C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)n1 54661162 PYJSIQXDHOOXRC-OAHLLOKOSA-N 321.380 3.551 0 40 DHAB Cc1cc(CNC(=O)Nc2cc(Cl)ccc2Cl)no1 57292519 QIMUCFLWUBKRHR-UHFFFAOYSA-N 300.145 3.612 0 40 DHAB CCOc1cccc(CNC(=O)c2cc3c(s2)CCCC3)c1 57416249 YLOCSCSBJZKMCA-UHFFFAOYSA-N 315.438 3.956 0 40 DHAB Cc1cc(C)cc(OCCN(C)Cc2cn3ccsc3n2)c1 58168017 CBVSLUCZAJRTDY-UHFFFAOYSA-N 315.442 3.523 0 40 DHAB CO[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 60960879 CWFSKZIARJBQTP-FQEVSTJZSA-N 323.436 3.855 0 40 DHAB Cc1cc(NC(=O)N(C)Cc2ccccn2)ccc1N1CCCC1 62249541 GDHJUJQRUADTJJ-UHFFFAOYSA-N 324.428 3.654 0 40 DHAB CC(=O)c1cccc2cc([C@@H]3CN(C(C)(C)C)C(=O)O3)oc12 65733969 GKIAZVRWKQSNAD-AWEZNQCLSA-N 301.342 3.927 0 40 DHAB in-vitro CCCCc1ccc(-c2noc3nc(CC)[nH]c(=O)c23)s1 66089542 JCTDXSJPORDJOU-UHFFFAOYSA-N 303.387 3.545 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(-c3nnco3)cc2C)s1 67724322 QOQHXJGMZNCJKV-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB Cc1occc1-c1nnc(SCCc2cccs2)n1C 69737241 WZERXKAILSESEG-UHFFFAOYSA-N 305.428 3.780 0 40 DHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@H]2c2ccncc2)s1 71827015 DXXAUHKXSVOCDS-ZDUSSCGKSA-N 315.442 3.813 0 40 DHAB Cc1cc(C[S@@](=O)Cc2csc(C3CCCCC3)n2)on1 71853922 ZFNBAKGEGFYQSA-OAQYLSRUSA-N 324.471 3.936 0 40 DHAB Cc1cc(OC(C)C)ccc1NC(=O)NCc1scnc1C 71856992 XETYQAHIJBWIQK-UHFFFAOYSA-N 319.430 3.869 0 40 DHAB Cc1occc1C(=O)Nc1nccn1Cc1ccccc1Cl 71908893 XARBLNPRMMDFSI-UHFFFAOYSA-N 315.760 3.739 0 40 DHAB CN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(Cl)cn1 71914740 KMSJQCBCABOHKO-UHFFFAOYSA-N 319.773 3.728 0 40 DHAB CCN1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214455 QTUOZMJFDSLMRC-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB CC(C)C[C@H](CCO)CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 72311632 OLUBUXGZBCSTMM-KGLIPLIRSA-N 323.502 3.647 0 40 DHAB Cc1cccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccccc2)c1 72329129 UPFUWAPDESWMCX-AWEZNQCLSA-N 305.381 3.876 0 40 DHAB COc1cccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccccc2)c1 72329230 JLKASVDMQJAOFH-ZDUSSCGKSA-N 321.380 3.576 0 40 DHAB Cc1cc(C)cc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)c1 72408076 FLSJRRLYPYXNGU-UHFFFAOYSA-N 321.384 3.605 0 40 DHAB Cc1nc(C)c(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 76864057 CJSGSZVZGBINQY-UHFFFAOYSA-N 317.439 3.604 0 40 DHAB c1cc(NCCCOCC2CCOCC2)c2sccc2n1 78298725 WOIPKSVREQTAGT-UHFFFAOYSA-N 306.431 3.542 0 40 DHAB CC(C)(C)C(=O)OCC1CCN(c2ccc(Cl)cc2N)CC1 84169051 XXRZUGJBNULXGF-UHFFFAOYSA-N 324.852 3.728 0 40 DHAB C[C@H](OC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(F)c(F)c1 84647934 YKZPSMLNYWTDDF-VIFPVBQESA-N 318.279 3.866 0 40 DHAB CCc1ccccc1NC(=O)C[C@@H](C)NCc1ccsc1 89289566 BBYWKWKILHRDLS-CYBMUJFWSA-N 302.443 3.817 0 40 DHAB COc1ccc([C@H](O)[C@H](C)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 90890055 CHEFIUIZGVKAAA-CKNFYHOISA-N 303.446 3.676 0 40 DHAB CCOC[C@H]1CCN(Cc2ccc(-c3ccncc3)cc2F)C1 93838681 DKTXDJWVAFKCGU-HNNXBMFYSA-N 314.404 3.746 0 40 DHAB Cc1noc(C)c1[C@@H](C)NCc1ncc(-c2cccs2)o1 95462621 HQSOHOYPZDTMGB-SECBINFHSA-N 303.387 3.859 0 40 DHAB C[C@H](CN(C)C(=O)N[C@H]1CCC[C@H](C2CC2)C1)c1nccs1 96010960 SBHQWNFSTZFLJP-SNPRPXQTSA-N 321.490 3.857 0 40 DHAB C[C@@H]1c2cc(F)ccc2CCN1Cc1nnc(-c2ccco2)o1 96406955 OGMJKTVKVINYIT-LLVKDONJSA-N 313.332 3.588 0 40 DHAB O=C(Nc1ccc(COC2CCCC2)cc1)N1CCSCC1 96418120 DWZWXCGXEYFQQC-UHFFFAOYSA-N 320.458 3.727 0 40 DHAB C[C@@H]1CC[C@H](OC(=O)CCC(=O)NC2CCCCC2)C[C@H]1C 103237618 CTEKOCWIQAXHMQ-FMKPAKJESA-N 309.450 3.583 0 40 DHAB O=C(NC[C@H]1CCCN1c1ccccc1)Nc1cccs1 211119985 ONNQBHOVTWFHPR-CQSZACIVSA-N 301.415 3.539 0 40 DHAB O=C(CCc1ccc(Cl)cc1)NCCCN1CCCCCC1 225305377 FIYZJCLHZPBDQD-UHFFFAOYSA-N 322.880 3.655 0 40 DHAB CCC[C@H](C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225383972 WLUQMGAAQVUMKM-ZDUSSCGKSA-N 319.474 3.597 0 40 DHAB CCc1ccccc1Nc1ccc(C(=O)N2CCCC2)cc1N 225420249 FPCZNBNBRBUJFG-UHFFFAOYSA-N 309.413 3.811 0 40 DHAB Nc1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCCC1 226266427 XDVWKJSHPRBEHI-UHFFFAOYSA-N 313.376 3.651 0 40 DHAB CCOc1cc(NC(=O)c2ccccc2)cc2sc(N)nc12 226309808 GPMLNJXPIKPCJM-UHFFFAOYSA-N 313.382 3.530 0 40 DHAB Cc1cccc(NC(=O)c2cc(Cl)cc3c2O[C@H](C)C3)n1 252487500 HWZABGKZTVZIPA-SNVBAGLBSA-N 302.761 3.619 0 40 DHAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NC(C)(C)C 253403406 PUOFXQAVQDODRT-VIFPVBQESA-N 322.792 3.577 0 40 DHAB biogenic,in-vitro CC(C)=CCC/C(C)=C\CC/C(C)=C/[C@H](O)P(=O)(O)O 299888516 MONZTFSZTWQCKH-XCKZAONOSA-N 302.351 3.902 0 40 DHAB CCOc1ccc(CNc2cccc([S@@](C)(=O)=NC)c2)cc1 585118525 SASCOUFFDKXZPM-JOCHJYFZSA-N 318.442 3.784 0 40 DHAB Cc1nc(NC(=O)/C=C/c2ccccc2)ccc1Br 515024 NQDDVWVZPHNXEO-JXMROGBWSA-N 317.186 3.804 0 40 DHAB COc1ccccc1-c1nn2c(-c3ccccc3C)nnc2s1 532817 VEPQFXUDICGRLE-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB CCOc1cnn(-c2ccc(Cl)c(Cl)c2)c(=O)c1Cl 1401946 CFJJCSIGMHYLEF-UHFFFAOYSA-N 319.575 3.591 0 40 DHAB O=C(O)[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)O 1731612 ZQKNZDZRSDGSBU-HDICACEKSA-N 322.360 3.793 0 40 DHAB O=C(Cc1ccc(-n2cccc2)cc1)N1CCc2ccccc21 2928344 RWAMCYOMQJYQTP-UHFFFAOYSA-N 302.377 3.609 0 40 DHAB aggregator C[C@H](NC(=O)CSc1ccccc1F)c1ccc(F)cc1 3442373 QMWMDQZGCODCFN-NSHDSACASA-N 307.365 3.934 0 40 DHAB CC[C@H](C(=O)OCC(=O)Nc1cccc(F)c1)c1ccccc1 3446461 SKBMCYPXWLNIMV-INIZCTEOSA-N 315.344 3.501 0 40 DHAB Cc1c(C)n(C[C@H](O)CN[C@@H]2CCCC[C@@H]2C)c2ccccc12 4177781 GDDCYANZONIPGV-POZUXBRTSA-N 314.473 3.787 0 40 DHAB Cc1ccc(S(=O)(=O)C(=O)Oc2ccc(C)c(C)c2)cc1 4503114 LWNMIGGEPMXNTE-UHFFFAOYSA-N 304.367 3.585 0 40 DHAB Cc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)cc1 4653693 UXXZYQYSBVFCEW-HNNXBMFYSA-N 317.772 3.594 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1C 5697562 WIWQWQUSHWTIDN-UHFFFAOYSA-N 321.417 3.538 0 40 DHAB COc1ccccc1C(=O)NCCSc1ccc(C)cc1 6845802 TWNHETIUNDEZHU-UHFFFAOYSA-N 301.411 3.526 0 40 DHAB Cc1ccc(OCCSc2ccc3c(c2)OCCO3)cc1 6933892 BSFTTYHPLVZPOB-UHFFFAOYSA-N 302.395 3.937 0 40 DHAB Cc1ccc(C)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 7910556 AQOGHYHQQVMQEO-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)c1 7929080 FPVHKEAOWHVVBW-INIZCTEOSA-N 323.392 3.570 0 40 DHAB C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccn1 8723638 GDVHEDCKFMYIJQ-ZDUSSCGKSA-N 323.421 3.625 0 40 DHAB Cc1nn(C)c2sc(C(=O)Nc3ccccc3Cl)cc12 8748350 BROOBLJPUWKIAB-UHFFFAOYSA-N 305.790 3.849 0 40 DHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 9157848 NWXRJPWCQCQDPG-UHFFFAOYSA-N 313.357 3.681 0 40 DHAB O=C1Cc2cc(-c3csc(COc4ccccc4)n3)ccc2N1 9450454 QLAWHRVUCDHQRO-UHFFFAOYSA-N 322.389 3.884 0 40 DHAB Cc1ccc(N(C(=O)c2ccco2)C(=O)N2CCCCC2)cc1 10254533 FLOYWWCYZVFMJJ-UHFFFAOYSA-N 312.369 3.841 0 40 DHAB CCc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12640889 KXZCVQJKLPHMFF-LLVKDONJSA-N 303.793 3.737 0 40 DHAB COc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1OC 12927031 PRQZLVAZKJYCRG-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 13710654 RSJOWRDGSBEPGC-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB O=C(O)c1cccc(-c2ccc(CNCc3cccs3)o2)c1 13727453 HQALQPGKJKUPTF-UHFFFAOYSA-N 313.378 3.996 0 40 DHAB COc1ccc(C)cc1NC(=O)CN(C)[C@@H](C)c1cccs1 14109040 VGTPHBRTTZARGH-ZDUSSCGKSA-N 318.442 3.697 0 40 DHAB COC(=O)c1ccc(NC(=O)Cc2coc3ccc(C)cc23)cc1 16806599 IKMXWQRRNMWYAJ-UHFFFAOYSA-N 323.348 3.709 0 40 DHAB O=C(CC1CCCC1)NCc1cc(-c2ccc(F)cc2F)on1 17149748 VQWHDQHARNTFGS-UHFFFAOYSA-N 320.339 3.816 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1F 17339929 PCZCGFYQUOEIHO-UHFFFAOYSA-N 311.360 3.685 0 40 DHAB Cc1c(-c2cccs2)nn2c(O)cc(-c3cccnc3)nc12 19557585 XMCZAAVOUSNRFJ-UHFFFAOYSA-N 308.366 3.534 0 40 DHAB Cc1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)cc1C 20481758 ZGUOMNGAAZXCDN-UHFFFAOYSA-N 317.816 3.994 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 31549582 ZTXQNPQSJFMGSV-BZNIZROVSA-N 312.344 3.673 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c(C)c1 36635400 GOJUNXJPDZWFSX-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB O=C1/C(=C/c2ccco2)N=C(S)N1Cc1ccccc1Cl 38863100 SWIFLHBSUOMVGB-JYRVWZFOSA-N 318.785 3.602 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)N[C@H](C)c1cccc(F)c1 40067893 VROKXFAUNDPBGI-QWHCGFSZSA-N 304.365 3.800 0 40 DHAB O=C(C[C@H]1C=CCC1)Nc1cc(F)c(N2CCCC2)c(F)c1 47917499 QQWZYTPBOYDJOF-LBPRGKRZSA-N 306.356 3.860 0 40 DHAB O[C@@H](CN1CC=C(c2ccccc2)CC1)c1c(F)cccc1F 51112470 GBHPGXPHFGQAAI-SFHVURJKSA-N 315.363 3.788 0 40 DHAB COc1ccc(C[C@H](C)N(C)C(=O)Nc2ccccc2F)cc1 58172609 SDMUYQFKKRLYDS-ZDUSSCGKSA-N 316.376 3.929 0 40 DHAB COC(=O)c1cc(OCc2ccccc2F)c2ccccc2n1 65033057 QHRBNXZMUWMHKF-UHFFFAOYSA-N 311.312 3.740 0 40 DHAB c1ccc(-c2cc(Cn3nccc3-c3ccncc3)no2)cc1 65531730 YBBPJPBYPWANNQ-UHFFFAOYSA-N 302.337 3.648 0 40 DHAB O=C(COCc1ccccc1Cl)Nc1cccnc1Cl 70038920 RMHKDWWOISMVNB-UHFFFAOYSA-N 311.168 3.544 0 40 DHAB Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)CCCO 71749490 LNZFOMZZFBDDMV-UHFFFAOYSA-N 310.397 3.617 0 40 DHAB CN(C)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 71760979 ZRWRIENNRDDBCO-UHFFFAOYSA-N 307.369 3.840 0 40 DHAB CC(=O)N1CCCC[C@H]1c1cccnc1OCc1ccccc1 72212114 QQRZSIOVZJXQBB-SFHVURJKSA-N 310.397 3.734 0 40 DHAB CC(C)(C)OC(=O)NCc1ccc(OCc2ccccc2)nc1 72225384 XLPXFLLQEQLAEJ-UHFFFAOYSA-N 314.385 3.685 0 40 DHAB CN(Cc1cc(F)cc2cccnc12)[C@H](CCO)c1ccccc1 72773178 GUVJOHOAEPVRAY-LJQANCHMSA-N 324.399 3.929 0 40 DHAB CCN(c1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 73632211 PKFPHCVPSRDQFH-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB C[C@@H](Sc1nnc(C2CC2)s1)C(=O)Nc1ccccc1 74795313 CYXLVDNERVHZAJ-SECBINFHSA-N 305.428 3.535 0 40 DHAB O[C@H]1CCCN(c2cc(-c3ccccc3)c3ccccc3n2)C1 82164539 KPBLWWBDVVXFFF-INIZCTEOSA-N 304.393 3.863 0 40 DHAB Cc1cn2c(n1)[C@@H](CNCc1cnc(C(C)(C)C)s1)CCC2 84257829 OZANBDTVRIXGDZ-CYBMUJFWSA-N 318.490 3.613 0 40 DHAB O=C(NCc1cccc(Oc2ccccn2)c1)NC1CCCC1 96104545 CTCLNTDGKMDDGR-UHFFFAOYSA-N 311.385 3.616 0 40 DHAB Cc1nc(CSc2cn[nH]n2)oc1-c1ccc(Cl)cc1 96466026 JINHNCNFYVUEQV-UHFFFAOYSA-N 306.778 3.714 0 40 DHAB COc1cccc2cc(CNCCCN3CCC(C)CC3)oc12 96953672 OBEQWYAIFOYZBO-UHFFFAOYSA-N 316.445 3.653 0 40 DHAB C[C@H](Nc1ccccc1CN1CCC(O)CC1)C1CCCC1 97037806 NKZBLALATLUDHY-HNNXBMFYSA-N 302.462 3.634 0 40 DHAB COc1cccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2Cc2ccccn2)c1 100112349 YBKLQPLDFPGHIL-KNBMTAEXSA-N 324.424 3.522 0 40 DHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 100184612 CZORMLIIFXZLBC-WMHQRMGPSA-N 313.784 3.598 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nc3ccccc3o2)C1 106539073 AVADOSFEEMNSNO-XQQFMLRXSA-N 318.442 3.813 0 40 DHAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113954711 FGLOMJVAZHMBEL-ANQUJSFKSA-N 301.430 3.882 0 40 DHAB Cc1cnc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)s1 195016322 ZZUFAAGMWQQDOS-DDTOSNHZSA-N 319.405 3.507 0 40 DHAB CCc1onc(C)c1NC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 195553005 ODYLYHYTIKBPHV-ZFWWWQNUSA-N 323.437 3.651 0 40 DHAB C[C@@H](CNc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1 195573138 OKNCQFUIHNUDDY-ZDUSSCGKSA-N 321.417 3.586 0 40 DHAB COC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1C 216427713 BSAMXUSIWQEAHX-UHFFFAOYSA-N 311.381 3.580 0 40 DHAB S=C(NCCCc1ccccc1)Nc1cccnc1Cl 223962221 UYXSSZNPMHMITR-UHFFFAOYSA-N 305.834 3.654 0 40 DHAB COc1ccccc1CCCNC(=O)c1ccc(Cl)cc1F 224279572 YNAUNRFGJAAZQF-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC2)cc1 226255686 LTYAOTCZKABTLN-UHFFFAOYSA-N 309.413 3.684 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2ccnc(Cl)c2)C1 257230004 GAHYRNWKYZORGC-ZDUSSCGKSA-N 310.825 3.925 0 40 DHAB CO[C@@H]1CC[C@H]2N(C(=O)c3ccc4ncccc4c3)CC[C@@]2(C)C1 257235525 GYEZGPSSEAQTGK-POAQFYNOSA-N 324.424 3.655 0 40 DHAB CCn1nccc1-c1ccc(C[C@H]2CCCN(C(C)C)C2)cn1 257325589 WTPXZTFOZRQQMN-QGZVFWFLSA-N 312.461 3.628 0 40 DHAB O=C(NC1CCCCC1)c1cccc(NCc2ccccn2)c1 585121038 CYQUEUSDAXUIRW-UHFFFAOYSA-N 309.413 3.756 0 40 DHAB FCc1cc(Br)ccc1I 1563591724 LFFSCZKLJICKLM-UHFFFAOYSA-N 314.923 3.523 0 40 DHAB CCn1nc(NC(=O)CC(C)C)c2cc3ccc(C)cc3nc21 1275081 DCUCICCGUMBAOZ-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@@H]1CCCC[C@@H]1SCC2=O 1556481 XOHRFHYQHDDXHS-YGRLFVJLSA-N 322.426 3.668 0 40 DHAB O=C(CSc1nnc2ccc3ccccc3n12)c1ccccc1 1924216 YHBZGJWBBXSWNK-UHFFFAOYSA-N 319.389 3.858 0 40 DHAB CC1=N[C@H](C)CNc2c1c(=O)n(-c1ccccc1)c1ccccc21 3844339 GXRMYUCHVVEEIH-CYBMUJFWSA-N 317.392 3.614 0 40 DHAB biogenic Cc1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)c1 4070348 IIHAWADRJXODOH-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB C[C@@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 4685793 VNTNOLGODDWLEJ-RHSMWYFYSA-N 320.864 3.677 0 40 DHAB c1ccc(-c2nnc(CN3CCCC[C@@H]3c3cccnc3)o2)cc1 5021846 PUMMSKUXKAZGPS-QGZVFWFLSA-N 320.396 3.859 0 40 DHAB Cc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1C 6438928 FDQNAZDVPSQLRZ-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB CC[C@H](C)[C@H](N)c1nnc(SC/C=C/c2ccccc2)o1 6440755 VIEBUZXMVFCQDC-IOONSIDKSA-N 303.431 3.921 0 40 DHAB Cc1cc(NC(=O)[C@@H](Nc2ccccc2)c2ccccc2)no1 8704075 ZQMBLTXXZPDXQZ-KRWDZBQOSA-N 307.353 3.775 0 40 DHAB c1ccc(Nc2nc3c4c5c(sc4ncn3n2)CCC5)cc1 8706906 HTAVCMZXPOYEKD-UHFFFAOYSA-N 307.382 3.571 0 40 DHAB Cc1ccc(CCCNC(=O)CSCc2ccccc2)cc1 10110385 ZIAJJANTSMWKCV-UHFFFAOYSA-N 313.466 3.977 0 40 DHAB O=C(Nc1ccccc1F)C1=C(c2ccccc2)SCCO1 12390277 JCGIAAGBZXWVMO-UHFFFAOYSA-N 315.369 3.896 0 40 DHAB CCc1cccc(OCC(=O)Nc2ccccc2N2CCCC2)c1 12537830 HVZNFZPFHGMAGN-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1cccc(F)c1 12945125 QCYOAANQKDRXAH-MRXNPFEDSA-N 320.795 3.512 0 40 DHAB O=C(CSc1ccccc1Cl)Nc1ccc(C(=O)O)cc1 13318098 MAFVFCVHGXAFNO-UHFFFAOYSA-N 321.785 3.769 0 40 DHAB O=c1[nH]c2ccccc2cc1CNCCc1ccc(Cl)cc1 13998862 WFDJHAGBUSHYKF-UHFFFAOYSA-N 312.800 3.514 0 40 DHAB O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCC1 14239142 KVMVKHDZLNPRLF-UHFFFAOYSA-N 319.364 3.640 0 40 DHAB Cc1ccccc1NCC(=O)Nc1ccc(Br)cc1 15085229 GVDVKNFDRRUOCS-UHFFFAOYSA-N 319.202 3.808 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 15340267 VIEPRQRYCMYQJH-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB CC[C@H]1CCCCN1C(=O)c1ccccc1SCCOC 17031628 RSWORDWWYNHWPI-AWEZNQCLSA-N 307.459 3.830 0 40 DHAB S=c1[nH]nc(CSCc2ccccc2)n1C[C@@H]1CCCO1 17055875 IXDPGTBHVWQSAX-ZDUSSCGKSA-N 321.471 3.553 0 40 DHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccc1 20456352 SDIQJAPWFPGPJG-KRWDZBQOSA-N 317.816 3.856 0 40 DHAB Cc1nnc([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)s1 23140571 ALBLGJSZPCCNCE-GFCCVEGCSA-N 321.833 3.520 0 40 DHAB COc1ccccc1NC(=O)CCC(=O)c1cc(C)sc1C 23709767 CYHKYXMJTFVBMI-UHFFFAOYSA-N 317.410 3.975 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 23954814 WKJAYNNBDNQQIN-LBPRGKRZSA-N 312.413 3.590 0 40 DHAB COc1ccc2c(CC(=O)N(C)Cc3ccc(C)o3)coc2c1 29269489 XTEPOVBCVATSEH-UHFFFAOYSA-N 313.353 3.544 0 40 DHAB CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 32901207 IMUCCNGYPHZXOZ-IUODEOHRSA-N 320.408 3.583 0 40 DHAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccccc2)C1=O 33717506 YYCYPMGMQZVCSL-NTCAYCPXSA-N 318.442 3.802 0 40 DHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 38754424 PLJZQGZFFYHFCR-INIZCTEOSA-N 321.779 3.953 0 40 DHAB Cc1noc(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)s1 40510164 SUBSXUJKIVAEHA-VIFPVBQESA-N 312.822 3.816 0 40 DHAB C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccc2O1 41155574 OIPYXGNINCCJQU-CYBMUJFWSA-N 320.348 3.769 0 40 DHAB COC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 44199753 NUVMTNRDLRFDFM-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCc1ccccc1 44896099 JAVJQPPHXATFFR-UHFFFAOYSA-N 320.392 3.551 0 40 DHAB Cc1cc([C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)on1 44943974 KMDUWWAHZGLZGN-OAHLLOKOSA-N 309.369 3.975 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1nnc(C(C)C)s1 47390792 SDZIMWOTIAADSD-UHFFFAOYSA-N 322.438 3.700 0 40 DHAB O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)C1CCC1 58363938 XIUKDFFKJVQHEH-UHFFFAOYSA-N 300.383 3.579 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 59351098 LGSUDEUKERYTSS-CQSZACIVSA-N 313.397 3.812 0 40 DHAB C[C@H](c1ccccc1F)N(C)C(=O)c1ccnc(NC2CC2)c1 65474534 DHBMOIGOBNLHKN-GFCCVEGCSA-N 313.376 3.628 0 40 DHAB CC1CCN([C@H](C)CNC(=O)NC2CCCCCCC2)CC1 65477795 KJIAUBMDSQGPFF-MRXNPFEDSA-N 309.498 3.519 0 40 DHAB COc1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 65553496 OGDRVNUUYGJSEK-OAHLLOKOSA-N 324.424 3.673 0 40 DHAB O=C(CSCc1csc(-c2ccoc2)n1)NCC1CCC1 66586354 OYOVRKLZBUBGHS-UHFFFAOYSA-N 322.455 3.553 0 40 DHAB C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccccc1 68592939 HKNRFSKVNVFHFO-GDBMZVCRSA-N 304.434 3.564 0 40 DHAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2)cn1 72214540 QVZVIGPWLDIMQQ-HNNXBMFYSA-N 319.449 3.904 0 40 DHAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccccc2F)C1 72405805 IHWCYJOZZMKHHK-ZDUSSCGKSA-N 311.316 3.787 0 40 DHAB CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccncc1 79023092 WOARYIGUEIKZLM-AEGPPILISA-N 307.463 3.506 0 40 DHAB CC(C)c1nc([C@H](C)NC(=O)c2cnn(C(C)(C)C)c2)cs1 79310803 DIQLNFFAZWMQDB-NSHDSACASA-N 320.462 3.709 0 40 DHAB Cc1ccc(CC(=O)N(C2CC2)[C@H](C)c2ccccc2F)cn1 84191190 LTXHDRGONYJTMW-CQSZACIVSA-N 312.388 3.824 0 40 DHAB O=C(CC1=CCCCC1)Nc1cccn(Cc2ccccc2)c1=O 88267238 ZSEVZMJTOPNESV-UHFFFAOYSA-N 322.408 3.726 0 40 DHAB Cc1occc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 91059285 WNMUIRJJZDXGGB-HUUCEWRRSA-N 323.751 3.641 0 40 DHAB O=C(Nc1cccc(CO)c1)c1ccc2[nH]c3c(c2c1)CCCC3 95349026 QQZQYBIUCNVQHL-UHFFFAOYSA-N 320.392 3.791 0 40 DHAB Cc1cc(N(C)CCC2CC2)nc([C@@H](C)N(C)CCC2CC2)n1 95452732 QQKZAWVVDDGGFZ-OAHLLOKOSA-N 316.493 3.814 0 40 DHAB CC(C)N1C[C@H]2CCC[C@@H](C1)C2CC(=O)Nc1cccc(F)c1 96252221 XJVZZTZMIITLLK-MVVMVCHASA-N 318.436 3.911 0 40 DHAB Cc1cnc([C@@H](C)NC(=O)N[C@@H](C)Cc2ccsc2)s1 96456303 NEHFENJIZXHTEO-GXSJLCMTSA-N 309.460 3.504 0 40 DHAB CCn1c(C)nnc1COc1ccc(-c2csc(C)n2)cc1 97047940 UAWGKIYCNNZZFV-UHFFFAOYSA-N 314.414 3.617 0 40 DHAB C[C@@H](NC(=O)c1ccc2ncsc2c1)[C@@H]1C[C@H]2CC[C@H]1C2 102203867 NHYRPZHPNZYKLN-UHXUPSOCSA-N 300.427 3.851 0 40 DHAB CC[C@H](c1ccccc1)c1nc(-c2cccc(C(=O)O)c2)no1 113025404 GGQJDTHMZZQPGA-OAHLLOKOSA-N 308.337 3.977 0 40 DHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113951572 SSVZZSXNBFNIRC-WCXIOVBPSA-N 301.430 3.766 0 40 DHAB Cc1cccc2cc(C(=O)N3CCN(c4ccccc4)CC3)oc12 148089538 XVOSXVZIRURMFR-UHFFFAOYSA-N 320.392 3.704 0 40 DHAB Cc1cccc(OCC(=O)n2c(C)c(C(=O)O)c3ccccc32)c1 216722152 YYTBULNUSDGNQZ-UHFFFAOYSA-N 323.348 3.676 0 40 DHAB Cc1cc(C(=O)N2CCS[C@@H](c3ccccc3C)CC2)no1 219285119 YQILJKOORBEUEJ-MRXNPFEDSA-N 316.426 3.612 0 40 DHAB CC(C)c1ccccc1OCC(=O)NCCCc1ccccc1 222809329 VVSQMMJUOTUZJS-UHFFFAOYSA-N 311.425 3.938 0 40 DHAB COc1ccc(CCCNC(=O)c2ccc(Cl)cc2F)cc1 223197632 GYRHTKOVUBGKGZ-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB COc1ccc(O[C@H](Cc2c(C)cc(C)cc2C)C(=O)O)cc1 225136881 WOJWURCPHUZIOY-GOSISDBHSA-N 314.381 3.695 0 40 DHAB Cc1nc(/C=C2/SCCN2C(=O)c2cccs2)cs1 225259304 CBFBGSJGNDVYQL-KPKJPENVSA-N 308.453 3.701 0 40 DHAB CCCCOc1ccc(NC(=O)C(C)(C)OC)c2cccnc12 225881802 DSNKPYINMZRYST-UHFFFAOYSA-N 316.401 3.777 0 40 DHAB C[C@]1(c2nc(-c3ccccc3OC(F)(F)F)no2)CCCO1 273724017 OHLNVIUOFUVCGB-CYBMUJFWSA-N 314.263 3.661 0 40 DHAB CC(C)(CNC(=O)c1coc(C2CCOCC2)n1)C1CCCC1 548988268 GDHAMHOGZLSQFI-UHFFFAOYSA-N 320.433 3.515 0 40 DHAB COCCC1(CNc2ncnc3[nH]c4ccccc4c23)CCC1 578427822 HHTZZZAVQAMHGX-UHFFFAOYSA-N 310.401 3.730 0 40 DHAB O[C@@H]1[C@@H](N2CCCCCCC2)CCC[C@H]1Oc1ccccc1 585288702 IDIWRIDZFQMGJR-IPMKNSEASA-N 303.446 3.614 0 40 DHAB Clc1ccc([C@H]2C[C@@H](c3ccco3)n3ncnc3N2)cc1 350192 AWEXLJNOLIENAV-OLZOCXBDSA-N 300.749 3.671 0 40 DHAB Cc1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1 351334 YEIDLLICUFXJEG-UHFFFAOYSA-N 317.197 3.776 0 40 DHAB Cc1ccc(Cn2c(S)nc3ccc(Cl)cc3c2=O)cc1 425315 SSPCXNZRYWWYQP-UHFFFAOYSA-N 316.813 3.695 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(C)c(Br)c1 2580276 JWQPFMNJFIOLLM-UHFFFAOYSA-N 313.191 3.674 0 40 DHAB Cc1csc(SCC(=O)NCc2ccc(Cl)cc2)n1 3413813 PBGMBYGZCINXAK-UHFFFAOYSA-N 312.847 3.513 0 40 DHAB O=C(Nc1nccs1)c1ncc(Cl)c(Cl)c1Cl 3454823 IOASTLCWNWRUDM-UHFFFAOYSA-N 308.577 3.751 0 40 DHAB C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1 4553167 XBFWCUCWTYZLCK-ZDUSSCGKSA-N 305.333 3.663 0 40 DHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1 6850964 CQOSJBKEMYGNBZ-NHYWBVRUSA-N 304.777 3.584 0 40 DHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NC1CCCCC1 7209641 WFCABEZYYQUAPV-VOTSOKGWSA-N 307.777 3.531 0 40 DHAB C[C@@H]1c2ccsc2CCN1C(=O)COc1ccccc1Cl 7829692 OMFJBISMWUROTR-LLVKDONJSA-N 321.829 3.926 0 40 DHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 9155318 BERHNUFQSZUTKD-LLVKDONJSA-N 319.307 3.573 0 40 DHAB CCOC(=O)c1oc2cc(NC(=O)c3ccco3)ccc2c1C 9659887 PWQMKHSJZHTVJF-UHFFFAOYSA-N 313.309 3.763 0 40 DHAB biogenic Cc1c(C(=O)NCc2cccnc2)oc2c(Cl)cccc12 12532815 YHXAKYRGOUQROV-UHFFFAOYSA-N 300.745 3.720 0 40 DHAB Cc1cc(C)cc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 12601495 NZHKSCJYSQVSAB-SFHVURJKSA-N 319.408 3.556 0 40 DHAB O=C(NCc1ccc(Cl)cc1Cl)c1cn2ccccc2n1 13129344 ULLBDIDTHQNBQE-UHFFFAOYSA-N 320.179 3.571 0 40 DHAB Cc1cccc(NC(=O)CCCc2nc(-c3ccco3)no2)c1 15669584 LNXUNRYKGYQHND-UHFFFAOYSA-N 311.341 3.599 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(F)cc2)c1 20494127 JWINSIOABDGTJA-OAHLLOKOSA-N 315.388 3.835 0 40 DHAB CCOC(=O)Nc1cccc(Oc2ncnc3ccccc23)c1 24057638 ZTZYISRRNVMYOA-UHFFFAOYSA-N 309.325 3.991 0 40 DHAB Cc1ccc(-c2nc(CC(=O)Nc3ncc(C)s3)cs2)o1 31876933 LZNKIDQBYCMJHF-UHFFFAOYSA-N 319.411 3.658 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1 31904008 CIOMVLFZWXLXRT-UHFFFAOYSA-N 314.410 3.507 0 40 DHAB CC(C)c1cccc(NC(=O)c2cccc(C[S@](C)=O)c2)c1 32865807 NSCIKEISUUSUIY-JOCHJYFZSA-N 315.438 3.941 0 40 DHAB C[C@@](O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 38876090 ZEMRSQHDAGIOTD-HXUWFJFHSA-N 304.389 3.830 0 40 DHAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2cccs2)n1 40514049 CGJCDKARJMSLNK-LBPRGKRZSA-N 319.430 3.551 0 40 DHAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccccn2)cc1 48374453 LEQYMXRUSUTULJ-HNNXBMFYSA-N 312.413 3.620 0 40 DHAB CCN(CC)Cc1sc(NC(=O)c2ccccc2)nc1C 49938002 NOEYXVHSFPETFI-UHFFFAOYSA-N 303.431 3.546 0 40 DHAB Cc1ccccc1-c1noc(-c2c[nH]c3ccccc3c2=O)n1 57354759 NXLDBZJOTKKGPM-UHFFFAOYSA-N 303.321 3.554 0 40 DHAB O=C([C@H](Nc1cc(F)cc(F)c1)c1ccccc1)N1CCCC1 57758510 FHBVIVBRJLRBMS-QGZVFWFLSA-N 316.351 3.740 0 40 DHAB Cc1cccc(NC(=O)C(=O)NCc2ccc(C(C)(C)C)cc2)c1 59498024 CMOZUFOIMDPZKI-UHFFFAOYSA-N 324.424 3.547 0 40 DHAB CCn1ccc2cc(NC(=O)CCOCC(F)(F)F)ccc21 65309960 UMOQLXZWUWCVGL-UHFFFAOYSA-N 314.307 3.569 0 40 DHAB Cc1cc(C)cc(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 68050001 UFUXAWUVDOMBFQ-HNNXBMFYSA-N 313.401 3.691 0 40 DHAB O=C(NC[C@@H]1CCCO1)c1ccc(Oc2cccc(Cl)c2)o1 72264833 PLCALQNQOKVYKK-ZDUSSCGKSA-N 321.760 3.634 0 40 DHAB Cc1ccc2oc(N3CCC[C@H]3c3noc(C(C)C)n3)nc2c1 72285223 IPRPUGHFTQQFMO-ZDUSSCGKSA-N 312.373 3.984 0 40 DHAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1csc(C2CC2)n1 76999376 ZOYPOFLUAACJSW-JKSUJKDBSA-N 312.438 3.749 0 40 DHAB COc1ccccc1OCC(=O)N(CCC(C)C)C1CCCC1 78282082 XUIHPCYKWGXCIG-UHFFFAOYSA-N 319.445 3.891 0 40 DHAB CCOC(=O)C[C@@H](C)S[C@@H](C)c1nnc(-c2ccccc2)o1 79359108 KHJRHCJIYZHVMD-NEPJUHHUSA-N 320.414 3.873 0 40 DHAB COc1ccccc1[C@@H](NC(=O)c1ccoc1C)c1ccccn1 89848731 IGUBOAOJNTUGMO-GOSISDBHSA-N 322.364 3.511 0 40 DHAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3ccccc3F)C2)c1 89930423 PCVMBADLTQDTRG-GOSISDBHSA-N 312.344 3.532 0 40 DHAB CN(CCc1nccs1)C(=O)/C=C/c1cc2ccccc2o1 95435420 JXRJDHWKGJRTEP-VOTSOKGWSA-N 312.394 3.604 0 40 DHAB CC(C)n1cc(CCC(=O)NCc2cccnc2)c2ccccc21 95472877 QSWUGZHPZNZLDD-UHFFFAOYSA-N 321.424 3.866 0 40 DHAB Cc1occc1C(=O)N1CCC2(CC1)CC(OCC(C)C)C2 96159310 VFDJCKJWSHKQFQ-UHFFFAOYSA-N 305.418 3.645 0 40 DHAB CCN(C(=O)c1cc(C)nc2ccc(OC)cc12)c1ccncc1 96422359 BSLQKMWEOIZTJI-UHFFFAOYSA-N 321.380 3.614 0 40 DHAB COc1ccc(NC(C)=O)c(NCc2cccc(F)c2F)c1 96453404 XZZXVQJEEHGJMR-UHFFFAOYSA-N 306.312 3.544 0 40 DHAB Cc1cc([C@H](C)NCc2nnc(-c3cccs3)o2)c(C)o1 97373923 IZQVTEMLLQEAHU-JTQLQIEISA-N 303.387 3.859 0 40 DHAB Fc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2Cc2ccncc2)cc1 100113182 VQWMKTDYCZUVSX-SUMDDJOVSA-N 312.388 3.653 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 108885829 ZVIFKIHTQYLPRS-IWSXDTNSSA-N 301.430 3.703 0 40 DHAB COc1cc(CN2CCC[C@@H]2c2csc(C)n2)ccc1O 194997856 NTRADKIHLORKTG-CQSZACIVSA-N 304.415 3.503 0 40 DHAB CCCO[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140333 TWYJAIOJFVETQR-QGZVFWFLSA-N 300.354 3.901 0 40 DHAB COc1ccc(Nc2ccc(C(=O)OC(C)C)cc2N)cc1 225430522 NQSUGAXQMYPFLP-UHFFFAOYSA-N 300.358 3.586 0 40 DHAB Cc1nn(C)c(C)c1C(=O)NC(c1ccccc1)c1ccccc1 225885144 RIAUKNJYHAOJSE-UHFFFAOYSA-N 319.408 3.556 0 40 DHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(C)cc1 409375246 HRQZCWVVEXCNCT-HNNXBMFYSA-N 314.410 3.763 0 40 DHAB CCOC1(C(=O)N2CC[C@H](c3cccc(C)c3)C2)CCCC1 585081142 AEDXTPUITZASKM-KRWDZBQOSA-N 301.430 3.660 0 40 DHAB CC(=O)N1CCC[C@@H]1c1ccnc(-c2nc(C)c(C)s2)c1 585179624 MJEMARCSVMIWEB-OAHLLOKOSA-N 301.415 3.505 0 40 DHAB CC(C)CCN1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 1441209 HCMNXGZMFWHCEN-FQEVSTJZSA-N 309.409 3.576 0 40 DHAB Cc1ccccc1CSCC(=O)Nc1ccc(Cl)cn1 3380282 JIDHQFVQCSFYHO-UHFFFAOYSA-N 306.818 3.915 0 40 DHAB C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5[nH]ncc5C[C@@]43C)[C@@H]1CC[C@@H]2O 4625582 GZCJWTCFQKPYQN-HOSJZOFRSA-N 314.473 3.728 0 40 DHAB CCN1C(=O)S/C(=C/c2cccc(OC)c2OC(C)C)C1=O 4694868 WGPBNVVQTVKUER-UKTHLTGXSA-N 321.398 3.539 0 40 DHAB C[S@](=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 5377797 BQUZSLPVXJROTR-OAQYLSRUSA-N 318.785 3.794 0 40 DHAB C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)O 5751089 YUIKUTLBPMDDNQ-MRVPVSSYSA-N 311.696 3.518 0 40 DHAB in-vivo Cc1ccc(C2=NN=C(NCCc3ccccc3)SC2)cc1 5981378 LCWRIIIOPTWSJA-UHFFFAOYSA-N 309.438 3.634 0 40 DHAB CCCC(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 6515974 JTGVCGMOOMUMLO-UHFFFAOYSA-N 319.474 3.536 0 40 DHAB CSc1ccc(CN(C)C(=O)c2n[nH]c3ccccc23)cc1 6657845 FHMUTLCUKMVUIG-UHFFFAOYSA-N 311.410 3.557 0 40 DHAB CSc1ncccc1C(=O)NCCc1ccc(C(C)C)cc1 6852438 MDEDKPMQBIEDNC-UHFFFAOYSA-N 314.454 3.899 0 40 DHAB Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 6995091 ZVYSIMUTQGXAHO-LLVKDONJSA-N 316.426 3.594 0 40 DHAB C[C@H](Nc1nnnn1-c1ccccc1)c1cccc2ccccc12 7980838 MKDDDDMAOSKQAX-AWEZNQCLSA-N 315.380 3.989 0 40 DHAB C[C@@H]1CCCN(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)C1 8134365 CHBXIEPDPQIAPB-SNVBAGLBSA-N 323.849 3.567 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)N(C)Cc1ccccc1 8492566 CPRGWLNVYMUGEV-INIZCTEOSA-N 313.397 3.511 0 40 DHAB C[C@@H]1CC2=C(C(=O)O1)[C@@H](c1ccccc1)Nc1ccccc1N2 8684985 YBSLINJTEXAWIR-KZULUSFZSA-N 306.365 3.855 0 40 DHAB Cc1ccc2nc(-c3ccc4c(c3)CCN4C(=O)C(C)C)cn2c1 12088180 CHFKAGIRNKHHTJ-UHFFFAOYSA-N 319.408 3.855 0 40 DHAB c1cncc(-c2nccc(CN3CCC[C@H]4CCCC[C@@H]43)n2)c1 12670946 QOPIFIMHBKCQAS-QAPCUYQASA-N 308.429 3.693 0 40 DHAB CC(C)c1n[nH]c(S[C@@H](C)c2nnc(-c3ccccc3)o2)n1 14142178 YQFXHENYHDSUSW-JTQLQIEISA-N 315.402 3.831 0 40 DHAB O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(F)cc1 16130695 BHKGQLQYORIYBW-UHFFFAOYSA-N 305.374 3.505 0 40 DHAB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 16439809 JQOCZBMIKBMTLW-MDWZMJQESA-N 312.756 3.894 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)c1 18092078 HJSSFAUHXABBQK-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COc1cccc(CNC(=S)Nc2ccccc2Cl)c1 18141429 NFBFCRVFFMUGJV-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB Fc1ccc([C@@H]2COC[C@H]2NCc2ccccc2Cl)cc1 19349568 KAAISBGMIYMFGJ-DOTOQJQBSA-N 305.780 3.751 0 40 DHAB Cc1n[nH]c(NCc2ccc(-c3ccc(F)c(Cl)c3)o2)n1 19796843 QGSJQRIMTNWLMK-UHFFFAOYSA-N 306.728 3.778 0 40 DHAB CCOc1ccccc1CNC(=O)CSc1ccc(C)cc1 19933654 XCGXATKDMSWALB-UHFFFAOYSA-N 315.438 3.802 0 40 DHAB O=c1[nH]c2cc3c(cc2c(C2CC2)c1-c1ccccc1)OCCO3 19957191 KCNYWKZGDPRDQC-UHFFFAOYSA-N 319.360 3.844 0 40 DHAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(C(=O)O)c1 20143010 YBELYBBTEVVMSJ-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB CCn1c(NC(=O)c2ccc(O)c(Cl)c2)nc2ccccc21 21592457 LJYBXQKNHSVLHR-UHFFFAOYSA-N 315.760 3.668 0 40 DHAB CN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)c2cccnc12 24679743 GWSVXUBKCBDVLH-UHFFFAOYSA-N 324.355 3.735 0 40 DHAB COCc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 26547267 QXWLINQGXWQBEA-UHFFFAOYSA-N 319.426 3.559 0 40 DHAB Cc1ccccc1SCC(=O)c1ccc(C(=O)O)cc1C 28527108 CSMHENLQDGLURN-UHFFFAOYSA-N 300.379 3.977 0 40 DHAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@H](C)CC 32601844 HNZMLCZYVPIURK-CYBMUJFWSA-N 313.463 3.594 0 40 DHAB CN(C(=O)c1ccc(F)cc1F)C1C2CC3CC(C2)CC1C3 32809907 UIJFIWUEIPWMGB-UHFFFAOYSA-N 305.368 3.862 0 40 DHAB CCc1ccccc1NC(=O)COc1nc(C)nc2ccccc12 33287278 DVZWRXNASDGZRB-UHFFFAOYSA-N 321.380 3.518 0 40 DHAB CCc1nccn1C[C@H](O)COc1ccc(-c2ccccc2)cc1 35170677 IBMHXFBLCGUZRB-SFHVURJKSA-N 322.408 3.552 0 40 DHAB C[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 36392627 QPLLSSNCJQAQQC-INIZCTEOSA-N 304.393 3.897 0 40 DHAB CC(C)Oc1ccccc1NC(=O)NCCc1cccs1 40121106 PNLUPBRAZCNBGQ-UHFFFAOYSA-N 304.415 3.900 0 40 DHAB Cc1nnc(NC(=O)N[C@H](C)c2ccccc2OC(C)C)s1 46649590 JBSXNRCDBWSLTO-SNVBAGLBSA-N 320.418 3.516 0 40 DHAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2ccccn2)cc1 47191024 NWYMDWSZAJRVQD-OAHLLOKOSA-N 309.413 3.708 0 40 DHAB COc1ccc(F)c([C@@H]2NCc3ccccc3-n3cccc32)c1 55142398 BOSLITYUWGCIPJ-IBGZPJMESA-N 308.356 3.818 0 40 DHAB O=c1ccc(-c2ccccc2)nn1CN(C1CCCCC1)C1CC1 58173685 SXTMMZTTXAKETA-UHFFFAOYSA-N 323.440 3.665 0 40 DHAB O=C(Nc1ccccc1NC(=O)N1CCCC1)C1CCCCC1 58203376 VLYUBWBYPFAEPN-UHFFFAOYSA-N 315.417 3.833 0 40 DHAB COc1ccc([C@@H](C)NC(=O)CCc2cccs2)cc1OC 58699675 GCRBQPYTUKSILZ-GFCCVEGCSA-N 319.426 3.575 0 40 DHAB COC(=O)c1cc(OCc2ccccc2)c2cc(F)ccc2n1 65033360 OUSRKNVKJSIODV-UHFFFAOYSA-N 311.312 3.740 0 40 DHAB O=C(NCc1ccncc1)Nc1ccc(F)c(C(F)(F)F)c1 65440166 CTNQYMAQFHFNPP-UHFFFAOYSA-N 313.254 3.561 0 40 DHAB O=C(Nc1ccc(-c2nnco2)cc1)c1nccc2ccccc12 65613848 AUPDXCKWSPBKAZ-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB Cc1nnc([C@@H](C)Sc2cc3c(cc2Cl)OCCO3)o1 66262175 GOSMJLVUWQPYGZ-SSDOTTSWSA-N 312.778 3.656 0 40 DHAB Cc1ccoc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 66510774 DQLJOEJFVMCLND-UHFFFAOYSA-N 317.345 3.582 0 40 DHAB C[C@H](NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)C1)c1ccccc1 71844056 DFRMMUMHXXUGPK-ZWOKBUDYSA-N 322.452 3.742 0 40 DHAB Nc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 72229688 SIGGFNDSALFZJJ-UHFFFAOYSA-N 309.350 3.877 0 40 DHAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cn1 72232446 KJHRCVSVXHIUHC-CQSZACIVSA-N 301.415 3.522 0 40 DHAB FC(F)(F)c1cccc(-c2cnc([C@H]3CCCNC3)cn2)c1 72365067 LTULBAMBDVZDGB-LBPRGKRZSA-N 307.319 3.629 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 80345128 NSDAPNSMXMCRHH-LSDHHAIUSA-N 309.365 3.508 0 40 DHAB Nc1cc(Cl)c(N2CCN(c3ccccc3)CC2)c(Cl)c1 96524263 LSUQBSWPZWIQJM-UHFFFAOYSA-N 322.239 3.902 0 40 DHAB CCn1nc(NC(=O)Nc2cc(F)ccc2F)cc1C1CC1 97164607 XWCUHBCAOLGQCW-UHFFFAOYSA-N 306.316 3.703 0 40 DHAB Cc1cc([C@H](C)NC2CCN(c3nccs3)CC2)c(C)o1 97237301 RDLHDNRWGDJPFB-LBPRGKRZSA-N 305.447 3.673 0 40 DHAB O=C(Nc1ccccc1NCCc1ccccn1)c1ccoc1 97370222 XUNJLWXVJQVBGF-UHFFFAOYSA-N 307.353 3.582 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCOc2ccc(C)c(C)c2)cc1 223450117 BUBPHRPHNWCOFE-PKNBQFBNSA-N 309.409 3.820 0 40 DHAB COc1ccc(C[C@@H](Oc2cccc(C)c2)C(=O)O)cc1Cl 225122423 OPDHMILQTNAYSZ-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225383941 WLUQMGAAQVUMKM-CYBMUJFWSA-N 319.474 3.597 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccoc1)c1ccc(Cl)s1 225704768 ANBSZHVZVZCGRS-DGXRNCNBSA-N 311.790 3.512 0 40 DHAB COc1ccccc1OC[C@@H](C)NC(=O)c1cc(C)ccc1C 225739668 NPFMLWXTTDWMQM-OAHLLOKOSA-N 313.397 3.509 0 40 DHAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccccc2Cl)no1 225811651 LNYXSAXJNJNGDA-LLVKDONJSA-N 321.808 3.627 0 40 DHAB CNc1cc([C@@H]2CCCN(C(=O)c3sccc3C)C2)ccn1 257212525 CDVIZTOMLNJKFP-CQSZACIVSA-N 315.442 3.513 0 40 DHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2ccccc2)c1 1889141252 GJUWIMJXIJTTEK-SJPCQFCGSA-N 310.401 3.592 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1C 114137 OONCPFLPEMUYJY-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB C[C@@H]1CCc2c(sc3ncn(CCc4ccccc4)c(=O)c23)C1 914908 WITNEYIVEQLDDJ-CYBMUJFWSA-N 324.449 3.826 0 40 DHAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 4283710 RTIIZIIIVCPJER-UHFFFAOYSA-N 303.745 3.560 0 40 DHAB CCOc1ccccc1/C=C/c1nc2ccccc2n(C)c1=O 4318384 LDBWEGOYPWMWJQ-OUKQBFOZSA-N 306.365 3.503 0 40 DHAB CCOc1ccc(NC(=O)c2cc3sccc3n2C)cc1 4971092 XJGXODPZNNJTCL-UHFFFAOYSA-N 300.383 3.891 0 40 DHAB CCC/C=C(\CC)[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 5417243 DMZJJDDAKLEIIG-SCGCXBKJSA-N 312.413 3.944 0 40 DHAB COc1ccc2ccccc2c1[S@@](=O)NC1CCCCC1 5527395 ANMPFDMJHISMBT-NRFANRHFSA-N 303.427 3.793 0 40 DHAB CN(Cc1cccnc1)c1ncnc2sc3c(c12)CCCCC3 5689600 WTLKOFLSQCREDH-UHFFFAOYSA-N 324.453 3.992 0 40 DHAB Cc1cc(OC[C@H](O)CN2CCCC[C@@H]2C)ccc1C(C)C 6425094 YUQUOARDRCHJKB-DLBZAZTESA-N 305.462 3.733 0 40 DHAB CCCCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 7780184 QXIDJJHKQPLPPU-UHFFFAOYSA-N 320.396 3.714 0 40 DHAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)O[C@H]1CCCCC1=O 7814805 PZLQLTKIFMWWAL-RNVIBTMRSA-N 312.287 3.774 0 40 DHAB COc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)cc1 8007387 ZZOVYSBXGBUFCQ-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB Cc1ccccc1CNC(=O)COc1ccccc1C(C)(C)C 8041209 IMLKDRABKIZTQI-UHFFFAOYSA-N 311.425 3.988 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(C)c2)c1 8355166 LLAOYQGAWKUORK-CQSZACIVSA-N 313.397 3.812 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccccc2)c1 10444029 SSRUJMMEZAVVAE-ZRDIBKRKSA-N 309.365 3.824 0 40 DHAB Cc1cc(SCC(=O)c2ccc(Br)cc2)ncn1 12016868 GECQZBOLMLCELC-UHFFFAOYSA-N 323.215 3.523 0 40 DHAB O=C(Nc1ccccc1SCC(F)(F)F)c1ccncc1 12903087 SZPYJCFFXKWDHX-UHFFFAOYSA-N 312.316 3.988 0 40 DHAB CCOc1ccc(OCC)c(C(=O)Nc2ncc(C)s2)c1 14014000 QZCIDYDFOYGXOJ-UHFFFAOYSA-N 306.387 3.501 0 40 DHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1ccccc1 14168784 MTZHBJGSMAKNBN-UHFFFAOYSA-N 322.412 3.593 0 40 DHAB Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)[nH]1 14196842 KRGVTORINKDHOV-UHFFFAOYSA-N 317.370 3.558 0 40 DHAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1ccc(F)cc1 15388892 VWCOGVKYZZZRSE-CQSZACIVSA-N 301.361 3.699 0 40 DHAB CN1CCN([C@H]2Cc3ccccc3Sc3ccccc32)CC1 19801868 MYFNXITXHNLSJY-KRWDZBQOSA-N 310.466 3.682 0 40 DHAB Cc1ccc(CC(=O)NCCSCc2ccccc2F)cc1 20043020 MSYXSTJKUCBEDJ-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB Nc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O 20798080 OFUMHZAEMLRAEP-UHFFFAOYSA-N 307.740 3.591 0 40 DHAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1cccnc1 20904177 LOCYXCUDHJFFNP-UHFFFAOYSA-N 312.413 3.959 0 40 DHAB COc1ccccc1CN(C)C(=O)CCn1ccc2ccccc21 21923069 NLDSTYCIFUKROU-UHFFFAOYSA-N 322.408 3.699 0 40 DHAB CCOc1ccccc1NC(=S)NCc1ccccc1C 23105729 MBBBKCDBOXGWLI-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1 23702683 CJCMMHNYAFNXED-IBGZPJMESA-N 322.408 3.795 0 40 DHAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCc1ccccn1 25536068 LJJBPXYTEBHKCK-SNAWJCMRSA-N 307.180 3.718 0 40 DHAB Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 26894598 MPUGPCIUJYVPNB-DLBZAZTESA-N 308.360 3.872 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(NC(=O)C2CC2)cc1 27305203 DTUHDQZZYJDMLS-OCHBPSSRSA-N 324.380 3.519 0 40 DHAB C[C@H](NC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 32809053 QIBCVKLGTSWNKP-JTQLQIEISA-N 312.291 3.859 0 40 DHAB CONC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 32882421 QMFZBFLEWSSEGH-UHFFFAOYSA-N 322.364 3.619 0 40 DHAB COP(=O)(OC)[C@@H](/C=C(/Cl)c1ccccc1)N(C)C 33376625 BYTZWWDLTWSOGT-XSNHNAGMSA-N 303.726 3.640 0 40 DHAB CCn1c(SCC(=O)c2ccc(F)cc2)nc2cccnc21 35290260 OAZYYJQMVUXTQL-UHFFFAOYSA-N 315.373 3.565 0 40 DHAB CCOc1ccc(NC(=O)NCCCOC2CCCCC2)cc1 40024027 GQMPMJDCVRCITR-UHFFFAOYSA-N 320.433 3.946 0 40 DHAB Cc1nc2ccc(NC(=O)c3cc4ccccc4n3C)cc2[nH]1 40286698 FVBYWBDQLABATG-UHFFFAOYSA-N 304.353 3.615 0 40 DHAB Cc1cc([C@H](C)NC(=O)N[C@H](C)c2ccccn2)c(C)s1 46893706 WNKICOWGEYUNEZ-NWDGAFQWSA-N 303.431 3.881 0 40 DHAB CC(C)Sc1ccc(C(=O)NC[C@@H](O)c2ccccc2)cc1 53791194 JVKKLAUNMKFNGL-QGZVFWFLSA-N 315.438 3.651 0 40 DHAB Cc1ccc(C[S@@](=O)CCCOc2ccc(F)cc2)cc1 58203479 APOKDIQLRPSSJR-OAQYLSRUSA-N 306.402 3.852 0 40 DHAB Cc1c([C@@H](C)NC(=O)C[C@@H](C)CCc2ccccc2)cnn1C 58218996 STGGLMJSJVYHFF-LSDHHAIUSA-N 313.445 3.565 0 40 DHAB Cc1nnc([C@H](C)Sc2nnc(-c3sccc3C)o2)o1 69590511 KKEDVAOYVIFUKU-ZETCQYMHSA-N 308.388 3.651 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)C[C@@H]1OCCc2sccc21 69617475 ZGTNEWGMQNUAIB-CJNGLKHVSA-N 315.438 3.972 0 40 DHAB COc1ccc(NC(=S)Nc2cccc(C(C)=O)c2)cc1F 71760494 GFCYXQZXTNJREY-UHFFFAOYSA-N 318.373 3.846 0 40 DHAB CCOC1CCN(C(=O)N[C@H](C)c2cc(C)cc(C)c2)CC1 71885969 DYDUIJPZATVEFY-OAHLLOKOSA-N 304.434 3.575 0 40 DHAB Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCC3)s2)cc1 72271623 ZIQJUEWTUSOGIN-CYBMUJFWSA-N 315.442 3.903 0 40 DHAB Cc1csc([C@H]2CCCN(C(=O)COC3CCCCC3)C2)n1 72298944 PVADWWVBGFPCHQ-AWEZNQCLSA-N 322.474 3.507 0 40 DHAB CC[C@](C)(NCc1cccc(NC(C)=O)c1)c1nc(C)cs1 72863998 UKLDWOJWAUYRCV-KRWDZBQOSA-N 317.458 3.825 0 40 DHAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1Cl 74946880 ASACOCRFXGFNDW-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB O=C(CCCCCNc1ncccn1)NC1CCCCCCC1 79473372 OMHBINZEDOGFQG-UHFFFAOYSA-N 318.465 3.678 0 40 DHAB Cc1cnn(-c2ccccc2)c1NC(=O)CCCc1ccccn1 84564063 PXQWJEANOXMAOC-UHFFFAOYSA-N 320.396 3.537 0 40 DHAB Cc1ccc(CN[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 89633231 AOCYPHLCTCQHHF-QZTJIDSGSA-N 324.468 3.611 0 40 DHAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1CSc2ccccc2O1 95392995 BGUOTPNBONLBCC-LBPRGKRZSA-N 318.423 3.512 0 40 DHAB Cc1cc([C@@H](NC(=O)N[C@@H](C)CCCO)C(C)C)c(C)s1 95410346 STNBMPIRPXNPLI-NHYWBVRUSA-N 312.479 3.522 0 40 DHAB C[C@@H](NCCCc1ccccc1)c1ccc([S@@](C)=O)cc1 95419174 FWNXXRRWMUETGI-VFNWGFHPSA-N 301.455 3.707 0 40 DHAB CC(=O)Nc1ccc(CNc2cccc(OCCF)c2)cc1 95429336 OYQHLGJWZJLLMB-UHFFFAOYSA-N 302.349 3.605 0 40 DHAB Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1O 95945915 SUXRSOLYDQWJAD-UHFFFAOYSA-N 305.399 3.625 0 40 DHAB C[C@@H](c1ccccn1)N(C(=O)c1ccnn1C1CCCC1)C1CC1 96476630 BNLKFNRAYDKSRS-AWEZNQCLSA-N 324.428 3.759 0 40 DHAB CCOCc1ccccc1NC(=O)N[C@@H]1CC(C)(C)OC1(C)C 96496481 UZQSAMAYSRLYFH-OAHLLOKOSA-N 320.433 3.691 0 40 DHAB Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(N(C)C)cc1 101806108 AAPLZPKPHYULMM-UHFFFAOYSA-N 321.380 3.968 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Nc1nnc(C3CC3)s1)C2 107333095 YUCBHUFTHHLIPC-MMPTUQATSA-N 320.462 3.752 0 40 DHAB C[C@@H](NC(=O)N1CCc2sccc2C1)[C@@H]1C[C@H]2CC[C@H]1C2 107489850 KYFDDXGFCCDMRN-OSFYFWSMSA-N 304.459 3.641 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1cccs1)c1ccccc1Cl 121886043 UYXDITVCPIWPFN-XVJNWHFHSA-N 321.829 3.919 0 40 DHAB C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1ccccc1 140548912 YKBYYVMDYLZHQR-YQQAZPJKSA-N 318.461 3.983 0 40 DHAB COc1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1Cl 222566017 CMWDFGRSQPHWEU-UHFFFAOYSA-N 317.776 3.577 0 40 DHAB COc1ccccc1CN(C)C(=O)CCc1ccc(C)c(C)c1 222634925 NHHYUIDNQHHZDB-UHFFFAOYSA-N 311.425 3.903 0 40 DHAB CNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl 225475029 HEAIFMMYRTYYIQ-UHFFFAOYSA-N 310.184 3.679 0 40 DHAB CC(C)(C(=O)N1CC=C(c2ccccc2)CC1)c1ccccn1 252479186 BAOZNAYEKHMMAB-UHFFFAOYSA-N 306.409 3.675 0 40 DHAB COc1cc(N[C@@H]2C[C@H](N)c3ccccc32)c(OC)cc1Cl 261827972 BCZHMIZHXUJLRX-UONOGXRCSA-N 318.804 3.914 0 40 DHAB FC(=C1CCCC1)c1nc(-c2ccc3c(c2)OCCO3)no1 328809707 AJLGKGCKQGZBJA-UHFFFAOYSA-N 302.305 3.762 0 40 DHAB CCCOc1ccc(C(=S)NCc2ccccc2OC)cc1 408572166 FMEDCQATVCOPPX-UHFFFAOYSA-N 315.438 3.949 0 40 DHAB COC(=O)c1ccc2nc(-c3ccc(F)c(Cl)c3)cn2c1 575442339 BJACAOLILIEHMD-UHFFFAOYSA-N 304.708 3.580 0 40 DHAB CC(C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 585109297 HRECDGGNBVFJFQ-OKZBNKHCSA-N 314.473 3.575 0 40 DHAB CC(C)Cn1c2c(ccc1=O)C[C@H](NCC1CCCCC1)CC2 2055781407 AJLAFNMWLKYEFI-GOSISDBHSA-N 316.489 3.532 0 40 DHAB CNC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1 54911 ZURXOBSMBKQQNE-UHFFFAOYSA-N 310.422 3.998 0 40 DHAB Cc1cc(C)c2c([C@H]3Oc4ccccc4[C@H]3O)cc(=O)oc2c1C 490061 LWUSYRIVKKUHAD-UYAOXDASSA-N 322.360 3.885 0 40 DHAB biogenic CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1)C2 1369840 BKPJKUIMKNLOFF-IRXDYDNUSA-N 317.502 3.769 0 40 DHAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 2444178 GXJJUAIYKUPXJH-SNVBAGLBSA-N 321.409 3.526 0 40 DHAB COc1ccc([C@H]2OC[C@]3(CO)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 4026997 RJYHUHMMBLCXKJ-GFPCFBFFSA-N 302.414 3.594 0 40 DHAB COc1ccc2c(c1)c(C(=O)[C@H](C)N1CCCCC1)c(C)n2C 4817349 UDSLDAWTPGHEOA-AWEZNQCLSA-N 314.429 3.552 0 40 DHAB Cc1ccc([S@](=O)CCC[S@@](=O)c2ccc(C)cc2)cc1 5218299 WMAYQNLTRBBCGT-SFTDATJTSA-N 320.479 3.609 0 40 DHAB CCCN(CCC)CP12(O[C@@H](C)[C@H](C)O1)O[C@@H](C)[C@@H](C)O2 5298662 RXAWBXAKAOSLAY-ZQDZILKHSA-N 321.398 3.927 0 40 DHAB Cn1nnnc1S[C@H](c1ccccc1)c1ccc(Cl)cc1 5742602 WZLZHZWJSWGYIM-CQSZACIVSA-N 316.817 3.745 0 40 DHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(F)cc1 5862162 RIGICEJRBHDBKF-GFCCVEGCSA-N 321.779 3.605 0 40 DHAB C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 6231858 NVESGCWSTLREST-GFCCVEGCSA-N 323.314 3.962 0 40 DHAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O 6629579 VJVCHSPSXUCQQO-NTCAYCPXSA-N 312.394 3.924 0 40 DHAB CCCCc1ccc(NC(=O)C(=O)NCCC2CCCC2)cc1 6652817 SZSHODDVOSCZTF-UHFFFAOYSA-N 316.445 3.664 0 40 DHAB CCCSc1nc2sccc2c(=O)n1-c1ccccc1 6907528 JWXNDQHNCOUJSJ-UHFFFAOYSA-N 302.424 3.949 0 40 DHAB CN(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 6992825 DBWQJNGALZSGAX-UHFFFAOYSA-N 322.452 3.557 0 40 DHAB C[C@H]1C[C@@H](OC[C@@H](O)CN2[C@H](C)CCC[C@H]2C)CC(C)(C)C1 6996370 FWSHCMODWGVIGW-OBVSXPTNSA-N 311.510 3.842 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1 7213016 VMFFDUZNUSMINS-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NCCc2ccccc2)cc1 7935350 XKENWCVDNLGHKV-AWEZNQCLSA-N 315.438 3.535 0 40 DHAB COc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 8244093 OFHBYADFJMMMOH-UHFFFAOYSA-N 312.394 3.577 0 40 DHAB O=C(O)c1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 8274372 RWWDDLCMTDKVDT-UHFFFAOYSA-N 301.367 3.577 0 40 DHAB O=Cc1ccccc1OCCCSc1nc2ccccc2[nH]1 8701324 JXKQNEUZBFRRFH-UHFFFAOYSA-N 312.394 3.937 0 40 DHAB CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3)ccc21 9107262 JJZSGTZLSJBXGU-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1 9953231 MNAVLKVSYOQSQK-UHFFFAOYSA-N 324.384 3.582 0 40 DHAB Cc1ccccc1OCC(=O)N[C@@H](c1cccs1)C(C)C 10852296 GHORBDBLNQBDQV-QGZVFWFLSA-N 303.427 3.949 0 40 DHAB Cc1cccc(OCCCNC(=O)c2ccc(Cl)cc2)c1 12397547 LQSKCUSAPBMQOS-UHFFFAOYSA-N 303.789 3.847 0 40 DHAB CC(C)(C)CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 14180764 RBPLRZUBCOKSCV-UHFFFAOYSA-N 305.809 3.960 0 40 DHAB CCCCOc1ccccc1C(=O)NCc1csc(C)n1 15832288 NVSUXVQOIGWHAA-UHFFFAOYSA-N 304.415 3.560 0 40 DHAB Clc1cncc(OC/C=C/COc2cncc(Cl)c2)c1 17117970 HMWNNKBIFGLZLC-OWOJBTEDSA-N 311.168 3.797 0 40 DHAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)N1CCCCCC1 19909035 BWUMMENRPDFBDH-UHFFFAOYSA-N 323.245 3.526 0 40 DHAB CN(C)c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 22396429 CDRYPOPFXXXXKF-UHFFFAOYSA-N 322.412 3.590 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCc1ccccc1 25685785 XPLRWWGTBIJXQL-UHFFFAOYSA-N 323.415 3.961 0 40 DHAB CCOP(=O)(OCC)[C@@H](N)C12CC3CC(CC(C3)C1)C2 27988349 BOKQGHLFCVACJW-WRHSUISWSA-N 301.367 3.754 0 40 DHAB C[C@H](OC(=O)c1cncc(Br)c1)c1ccccc1 32766809 IEMRJBTZZLPCJB-JTQLQIEISA-N 306.159 3.762 0 40 DHAB COc1ccc(Cl)cc1C(=O)c1c(F)cc(F)cc1F 37358907 AJFVDJJZJWGMNU-UHFFFAOYSA-N 300.663 3.997 0 40 DHAB COC(=O)c1cc(N)ccc1Oc1cccc(C(F)(F)F)c1 40449051 BMMQGMNOLJNMQD-UHFFFAOYSA-N 311.259 3.867 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1 44900139 MXQSAZQROWRFQG-MRXNPFEDSA-N 303.333 3.630 0 40 DHAB COc1ccc([C@@H]2CCCN2Cc2nc(C)c(C)o2)c(OC)c1 49983017 XURZIMDMQYNOKW-INIZCTEOSA-N 316.401 3.646 0 40 DHAB CSc1sc(NC(=O)c2ccc3c(c2)CCC3)nc1C 58161174 WTKRQUYFBGVOTC-UHFFFAOYSA-N 304.440 3.914 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2-c2nc(C(C)C)n[nH]2)cn1 58265996 WCZUJRMWTGFSNK-UHFFFAOYSA-N 321.384 3.551 0 40 DHAB CCOC1CCN(C(=O)c2ccc(N(CC)C(C)C)cc2)CC1 58392293 YUWMZIUYHXHDKG-UHFFFAOYSA-N 318.461 3.562 0 40 DHAB CCN(CC)Cc1ccccc1CNC(=O)N1CCCCCC1 59291459 BEPYOXYWKWDKQK-UHFFFAOYSA-N 317.477 3.614 0 40 DHAB O=C(CNc1ccc2c(c1)Cc1ccccc1-2)NCc1ccco1 67127095 JEOZEGPIFVXLIE-UHFFFAOYSA-N 318.376 3.579 0 40 DHAB COc1c(CNCc2ccc([C@@H]3C[C@H]3C)o2)c(C(C)C)nn1C 69418563 TYFIMEVQDVXJFN-TZMCWYRMSA-N 317.433 3.558 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(NCc3ccccn3)cc2)o1 69424745 GSQVXXCJBXBCPY-UHFFFAOYSA-N 307.353 3.847 0 40 DHAB Cc1ccsc1C(=O)Nc1ccc(NC2CCOCC2)cc1 69487133 BWBXAPAQHKOAJI-UHFFFAOYSA-N 316.426 3.900 0 40 DHAB C[C@H](S[C@H]1CCCc2ccccc21)C(=O)Nc1ncccn1 69698380 MGWUAZSJQBZICI-WFASDCNBSA-N 313.426 3.614 0 40 DHAB CC(C)N1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214437 ZWDVVPJYIFFFTL-OAHLLOKOSA-N 319.449 3.998 0 40 DHAB CC(C)OCc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 72265388 UYWQDQFPAOXBFM-UHFFFAOYSA-N 323.389 3.552 0 40 DHAB C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1cccnc1 76467523 UMHWBIQCPTWKFY-CQSZACIVSA-N 316.832 3.757 0 40 DHAB Cc1cccc(NC(=O)NCc2ncoc2-c2ccccc2)c1 79100313 VNXHZRFBYDPMDB-UHFFFAOYSA-N 307.353 3.972 0 40 DHAB CN(CC1CCC1)C(=O)c1ccc(F)c(COCC2CC2)c1 80206597 FYGMQUOOTJOPTD-UHFFFAOYSA-N 305.393 3.624 0 40 DHAB C[C@@H]1C[C@H]1[C@H](NC(=O)N(C)Cc1nccs1)c1ccccc1 80695355 LSQSKXJBKGWEGH-XNRPHZJLSA-N 315.442 3.682 0 40 DHAB CCO[C@H](C)c1nc(CN(C)[C@@H](C)c2ccncc2)cs1 95404896 ZQHLQRRYGUGAFO-QWHCGFSZSA-N 305.447 3.829 0 40 DHAB CSc1cc(NC(=O)CCc2cccc(F)c2F)ccn1 95452258 HDOZJCXBTZFUMG-UHFFFAOYSA-N 308.353 3.653 0 40 DHAB Cc1cc(C)n2cc(CNc3c(F)cc(F)cc3Cl)nc2n1 95980718 OJQSVUSZVYKIER-UHFFFAOYSA-N 322.746 3.890 0 40 DHAB CCn1cc(NC(=O)c2ccc(Oc3cccc(F)c3)o2)cn1 96183901 RFTUHUGGPAXNOA-UHFFFAOYSA-N 315.304 3.680 0 40 DHAB CC(C)c1cnc(S[C@H](C(N)=O)c2ccccc2)n1C(C)C 96416348 RPNWIGIXEKVVOJ-HNNXBMFYSA-N 317.458 3.906 0 40 DHAB COCc1nc(CSc2nc3ccccc3nc2C)cs1 96430135 UOJJXSGYUAOEGR-UHFFFAOYSA-N 317.439 3.833 0 40 DHAB C[C@@H]1CN(C(=O)Nc2nnc(C(F)F)s2)[C@@H]1c1ccccc1 97099280 ALGIQCILEWPGCL-SCZZXKLOSA-N 324.356 3.701 0 40 DHAB Cc1cc(Nc2ccc(S(=O)(=O)O)cc2)nc2ccccc12 98087204 XMDHZJILMNFVOR-UHFFFAOYSA-N 314.366 3.534 0 40 DHAB O=C(CC(=O)c1cc(Br)ccc1O)c1ccccc1 100071912 QKZDINXTJFUKGF-UHFFFAOYSA-N 319.154 3.610 0 40 DHAB Cc1ccc2[nH]c(C(=O)NCCC[C@@H]3CCCCO3)cc2c1C 183464397 CCUZNOJLQQVODX-HNNXBMFYSA-N 314.429 3.864 0 40 DHAB O=C(Nc1cccnc1-c1ccc(Cl)s1)C1CCOCC1 187131535 DHIIVOYKBJDNBE-UHFFFAOYSA-N 322.817 3.829 0 40 DHAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccco1 206667083 VXKYSYHMQMUKRP-UHFFFAOYSA-N 301.327 3.521 0 40 DHAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1cccc(Cl)c1 207991663 GXRJKEQOHSLNCJ-KRWDZBQOSA-N 314.816 3.739 0 40 DHAB Cc1ccc(OCC(=O)n2c(C)c(C=O)c3ccccc32)cc1 216719945 JFULAPPWYRIHEY-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 224674904 QIAFAWHGFHEYLR-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB COc1ccccc1O[C@H](Cc1ccc(Cl)cc1C)C(=O)O 225074788 KKMWCBVGNHDSJB-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB COc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1N 225176556 TWFPARXSKQZTPN-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB Cc1c(Cl)cccc1Nc1ccc(C(=O)NC2CC2)cc1N 225425504 QRNARRYCOZRQAV-UHFFFAOYSA-N 315.804 3.866 0 40 DHAB COc1ccccc1/C=C(\c1ccccc1)c1nnc(N)s1 408718110 JZNTVZVFQLYDCD-SDNWHVSQSA-N 309.394 3.718 0 40 DHAB O=C(N[C@@H]1CCC[C@H](F)C1)[C@@H]1CCN(c2ccccc2Cl)C1 582063973 OAVBZJCZSYUIMG-HZSPNIEDSA-N 324.827 3.563 0 40 DHAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 47683 GZPDVRJCPPBBSD-UHFFFAOYSA-N 306.317 3.501 0 40 DHAB biogenic,in-vitro Cc1ccc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)o1 91647 WYWFZLOPQYLSFY-YBEGLDIGSA-N 311.337 3.720 0 40 DHAB O=C(NC(Cl)=C(Cl)Cl)Nc1c(F)cccc1F 159300 YUHQKAJNBYWPHX-UHFFFAOYSA-N 301.507 3.929 0 40 DHAB Cc1cccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)c1C 382463 CHWMDNZXTFUBFU-UHFFFAOYSA-N 313.441 3.623 0 40 DHAB CCCn1nc(NC(=O)C(C)C)c2cc3cc(C)ccc3nc21 532940 PPDYWRRVUMUMNM-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1Cl 1393175 CFXWNJUYXZQOSR-UHFFFAOYSA-N 315.804 3.978 0 40 DHAB COc1ccccc1[C@@H]1NC(=S)NC2=C1CCc1ccccc12 2482141 RRNQTRUABGKHFI-SFHVURJKSA-N 322.433 3.572 0 40 DHAB O=C(NCCc1ccc(Cl)cc1)c1ccc2ncsc2c1 3246955 PIPIEQWPTQYGJP-UHFFFAOYSA-N 316.813 3.922 0 40 DHAB O=C1Nc2ccccc2S[C@@H]1Nc1ccc(F)c(F)c1F 3327356 SXIVPNHMNZBVJO-AWEZNQCLSA-N 310.300 3.586 0 40 DHAB c1cncc(CNc2nc(-c3cccnc3)nc3ccccc23)c1 4258359 VLWMQPYZWJBDPL-UHFFFAOYSA-N 313.364 3.699 0 40 DHAB COc1ccc2nc(NC(=O)c3cccnc3Cl)sc2c1 4661748 AAXCQWCZXLOREK-UHFFFAOYSA-N 319.773 3.606 0 40 DHAB CCc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 5262281 BGQXTCGSZXZOCI-UHFFFAOYSA-N 307.440 3.772 0 40 DHAB Cc1ncc([C@H](O)c2cccc(Cl)c2)n1Cc1ccccc1 5504226 CSKXPFXFIQQXMA-GOSISDBHSA-N 312.800 3.975 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(OC(F)F)c1 5510804 MCSWJPDSJKQMKI-LLVKDONJSA-N 321.323 3.788 0 40 DHAB CCc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 8076053 DWXZHTSSYGEBMS-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB Cc1cc(C)cc(OCC(=O)NCCc2ccc(Cl)cc2)c1 8084318 GYMVZYYTWUQJMA-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCc1n[nH]c(=S)n1NCc1c(Cl)cccc1Cl 8338968 WBNSOVFNNQOCFS-UHFFFAOYSA-N 303.218 3.554 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(F)c1 8558284 FAFNUQPUERDPGY-CQSZACIVSA-N 303.333 3.630 0 40 DHAB O=C(O)c1cccc(OCCCN2CCCc3ccccc32)c1 8703249 GPOSNANSIHXJKM-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB Cc1cc(SCc2ccc(C(N)=O)cc2)nc2ccccc12 8747571 ZHCMANBCVSVERF-UHFFFAOYSA-N 308.406 3.934 0 40 DHAB CSCc1c(C(=O)NCc2ccccn2)oc2ccccc12 9157379 PTFCBALJZLLEOB-UHFFFAOYSA-N 312.394 3.621 0 40 DHAB Clc1ccc(-c2nc3c4c(ncn3n2)CCC4)c(Cl)c1 9576596 HBPODLHWQGUIQT-UHFFFAOYSA-N 305.168 3.587 0 40 DHAB COC(=O)[C@@H](C)OC(=O)c1cc2sc3ccccc3c2s1 10596134 SSICIDMEOARPBO-MRVPVSSYSA-N 320.391 3.834 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)N1CCc2sccc2C1 10885146 ANMBOUFLFLPTES-ZZXKWVIFSA-N 303.814 4.000 0 40 DHAB Cc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 11544174 JKZNGYNHADXDCM-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB COc1ccc(-c2cc3cccnc3n2CC(=O)OC(C)C)cc1 12148097 NLSZRRLNDHZUHF-UHFFFAOYSA-N 324.380 3.664 0 40 DHAB CC(C)n1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cn1 12155483 IYHAMXCXBVIHKC-UHFFFAOYSA-N 315.392 3.802 0 40 DHAB N=C1S[C@H](c2cccc(F)c2)CC(=O)N1c1ccccc1 12374367 ZRMHTIIYLRXCER-AWEZNQCLSA-N 300.358 3.972 0 40 DHAB Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)nc1 12534650 BMKLZNSASBXYOA-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB O=C(CCc1ccccc1)Nc1nc(-c2ccncc2)cs1 12600390 DIVQCJPGRLHFJY-UHFFFAOYSA-N 309.394 3.776 0 40 DHAB O=C(Cc1cccs1)Nc1ncc(Cc2ccccc2)s1 12986773 YKOUCMDUDMQUFF-UHFFFAOYSA-N 314.435 3.977 0 40 DHAB N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)S1 13549357 JWRGIVHRSKLDID-GHXNOFRVSA-N 304.758 3.739 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 14170333 SYNPNKOIWCWRCR-CQSZACIVSA-N 310.397 3.753 0 40 DHAB COc1cc(C(=O)c2cc3ccccc3o2)cc(OC)c1OC 14240032 BPIHCRLYEUYOJH-UHFFFAOYSA-N 312.321 3.690 0 40 DHAB Cc1ccccc1CCNC(=O)c1c(-c2ccccc2)noc1C 14940955 DSVREYZJFRKFEO-UHFFFAOYSA-N 320.392 3.931 0 40 DHAB C[C@H]1[C@H](C)N(Cc2ccco2)CC[C@H]1OC(=O)c1ccccc1 15319279 IEDBZMWATZKGIT-RLFYNMQTSA-N 313.397 3.736 0 40 DHAB O=C(NCCc1ccccc1)c1ccc(F)cc1Br 17357534 BSGPHDWIKHCMEO-UHFFFAOYSA-N 322.177 3.561 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1C 20025592 YYTKGKNTKKOYFJ-CQSZACIVSA-N 313.397 3.893 0 40 DHAB O=C(CCc1ccco1)Nc1ccc(F)cc1Br 20430174 XQWCHMKGTCMLQA-UHFFFAOYSA-N 312.138 3.753 0 40 DHAB CCCCc1noc(CSc2nc3ccc(C)cc3[nH]2)n1 22611039 HLHOSWJHDVNUEK-UHFFFAOYSA-N 302.403 3.889 0 40 DHAB O=C(COc1ccc(F)cc1F)Nc1ccc(Cl)cc1F 24543148 MEBMNKQJOGRRAX-UHFFFAOYSA-N 315.678 3.775 0 40 DHAB CC(C)OCc1ccccc1CNC(=O)c1ccc(F)c(F)c1 30369415 XWUUACCAFWSROH-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB COc1ccc(NC(=O)/C=C/c2ccccc2)cc1OC(F)F 30926464 KVFRHLQGPDGTJV-JXMROGBWSA-N 319.307 3.949 0 40 DHAB C[C@H]1C[C@@H](OC(=O)CCC(=O)NC2CCCCC2)CC[C@H]1C 32581168 CTEKOCWIQAXHMQ-YCPHGPKFSA-N 309.450 3.583 0 40 DHAB COC(=O)c1ccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1 32865750 VRAIOGIRWTUJNK-GOSISDBHSA-N 323.392 3.663 0 40 DHAB Cc1cc(O[C@@H](C)C(=O)N2CCC(C)CC2)cc(C)c1Cl 40913154 WWLHWUOVIISEFO-AWEZNQCLSA-N 309.837 3.983 0 40 DHAB O=[S@@](Cc1cc(-c2ccccc2)on1)Cc1ccccc1F 48354448 NRAMXKSWEKNJFH-QFIPXVFZSA-N 315.369 3.930 0 40 DHAB COc1ccc(-c2nc(-c3cccc(C(N)=O)c3)sc2C)cc1 48356292 NDSLSQQNLVPRRH-UHFFFAOYSA-N 324.405 3.893 0 40 DHAB COc1cccc(Nc2cc(N)nc(-c3ccccc3F)n2)c1 49467854 FATSAUDMEIOUMP-UHFFFAOYSA-N 310.332 3.617 0 40 DHAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCCCCCC1 51204397 FTSJORLEQTYXME-UHFFFAOYSA-N 315.442 3.941 0 40 DHAB Cc1ccc(C(=O)[C@@H]2CN(C)C[C@H]2C(=O)c2ccc(C)cc2)cc1 52525324 DHOWIUDKAWCXFP-RTBURBONSA-N 321.420 3.547 0 40 DHAB Cc1c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)oc2c(C)cccc12 53443773 XKXPPUBPXDTZQO-UHFFFAOYSA-N 322.320 3.736 0 40 DHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)C1CCCCCCC1 58156524 TWANDDVRNSJYTF-VAWYXSNFSA-N 323.868 3.966 0 40 DHAB O=C(CSc1nccn1Cc1ccccc1)c1ccccc1 59474691 XUSWNISRNGNHGA-UHFFFAOYSA-N 308.406 3.906 0 40 DHAB COc1ccc([C@H]2C[C@H]2C(=O)N(Cc2ccco2)C2CC2)cc1 65608614 IXDTUSULBZSATQ-QZTJIDSGSA-N 311.381 3.583 0 40 DHAB CCOc1ccc(F)cc1[C@@]1(O)C(=N)Nc2ccc(Cl)cc21 68267790 AUZAOHTZCMKRJQ-MRXNPFEDSA-N 320.751 3.516 0 40 DHAB in-vivo O=C(Nc1cccnc1)N1CCC(c2ccc(F)c(F)c2)CC1 69566963 OADPVAURZVOODQ-UHFFFAOYSA-N 317.339 3.771 0 40 DHAB CCCC[C@@H](CC)C(=O)N1CCC(Nc2cccnc2)CC1 69896418 OTQJJSPJUOCKLF-OAHLLOKOSA-N 303.450 3.701 0 40 DHAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CCOC1 71832980 VDTBHPHNKOFCQK-VQIMIIECSA-N 321.376 3.675 0 40 DHAB c1ccc(-c2cc(Cn3ccnc3-c3ccccn3)on2)cc1 74393053 GDWZWTKQJONEPG-UHFFFAOYSA-N 302.337 3.648 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCC[C@H](O)c1cccs1 77113864 HNASLULXEYYARG-NPQIQWPPSA-N 321.829 3.655 0 40 DHAB Cc1ccc(OCc2cccc(C(=O)N3CCCCC3)c2)nc1 77240611 IQOMKVFVPYSSGC-UHFFFAOYSA-N 310.397 3.595 0 40 DHAB O=C(NC[C@@H]1SCCc2ccccc21)[C@H]1C[C@@H]1c1ccco1 79018636 VQMULJVTZUGLAK-ZOBUZTSGSA-N 313.422 3.530 0 40 DHAB CCn1nc(C)c(CNc2cc(OC)c(Cl)cc2OC)c1C 92174792 XKKSQDSJAOYNNP-UHFFFAOYSA-N 323.824 3.803 0 40 DHAB Cn1cc(NC(=O)CCCc2cc(Cl)sc2Cl)cn1 95964737 BFBURIBDKVFCOK-UHFFFAOYSA-N 318.229 3.750 0 40 DHAB c1cncc([C@@H]2COC3(CCN(Cc4cccs4)CC3)C2)c1 96047769 AXUBFKKXWAPYIO-INIZCTEOSA-N 314.454 3.682 0 40 DHAB CO[C@@H](CNC(=O)CSC1CCCC1)c1ccc(C)s1 96104681 ZECFBKYOBDGZSH-ZDUSSCGKSA-N 313.488 3.536 0 40 DHAB CC1(C)CC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc21 96182967 DDZJVMFMSCIYRQ-UHFFFAOYSA-N 312.344 3.698 0 40 DHAB CCCCCc1ccc(NC(=O)N(C)Cc2cnccn2)cc1 96410595 WCHPLFIHZVRKLU-UHFFFAOYSA-N 312.417 3.873 0 40 DHAB C[C@@H](CO)N(C)C(=O)Nc1ccc(SC2CCCC2)cc1 97048657 XAYGRNTZGCWMDG-LBPRGKRZSA-N 308.447 3.566 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 98211005 LESQEPMPGAJYER-ZDUSSCGKSA-N 315.373 3.809 0 40 DHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108869727 ONTIKEHAUCIUQA-DVZHBHJUSA-N 307.821 3.660 0 40 DHAB CCc1onc(C)c1NC(=O)Nc1cccc(N(C)C)c1C 121241090 YIQPALSZCJYICT-UHFFFAOYSA-N 302.378 3.564 0 40 DHAB Cc1ccc(I)c(C)c1Br 147368022 BQHDRIGTQIJCAP-UHFFFAOYSA-N 310.960 3.671 0 40 DHAB Clc1ccc(-c2nc3ncccn3c2Br)cc1 167469335 PXYIENFKKVXGPR-UHFFFAOYSA-N 308.566 3.812 0 40 DHAB CC1=CCC[C@@H](C)[C@@H]1CNC1CCN(C(=O)CC(C)C)CC1 191096334 QJYXBDCTBAXQDV-SJLPKXTDSA-N 306.494 3.606 0 40 DHAB Cc1ccccc1O[C@H]1CCCC[C@H]1N[C@@H]1CCCC[C@@H]1N 218867968 DIKKZBGQGPTGNT-FAJBIJEISA-N 302.462 3.545 0 40 DHAB O=C(O)[C@H](Cc1cccc(Br)c1)Oc1ccccc1 225062588 LZVCKROLVDEQIH-AWEZNQCLSA-N 321.170 3.524 0 40 DHAB O=C(O)[C@H](Cc1ccc(Br)cc1)Oc1ccccc1 225065038 SOSFFCAMORKMDG-AWEZNQCLSA-N 321.170 3.524 0 40 DHAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1cccc(Cl)c1 225423642 RJGCAQZDAOZFFP-UHFFFAOYSA-N 315.804 3.902 0 40 DHAB Cc1cc(C(=O)NC[C@H](O)c2csc3ccccc23)c(C)o1 225691801 HIMGCUIYGOQWGF-HNNXBMFYSA-N 315.394 3.575 0 40 DHAB COc1ccc(NC(=O)c2conc2-c2ccccc2)c(OC)c1 225871563 YUBOGSHTSUEMMI-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB CCOc1ncc(NC(=O)C2(OCC)CCCCCC2)cc1C 225899623 LYQICQYLDUFAQU-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB CCc1sc(NC(=O)OC(C)(C)C)nc1[C@@H](CC)C(=O)O 226076262 BCUFOGBBZTYBON-MRVPVSSYSA-N 314.407 3.631 0 40 DHAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1cccc2ccccc12 409380694 BDVSGDNXXVXYMJ-ILRDRHFLSA-N 317.388 3.537 0 40 DHAB C[C@@H]1O[C@H](C)[C@H](c2nc(-c3ccc(C(F)F)nc3)no2)[C@H]1C 528220257 NTYIKNPEUUWUTR-APOZVJGGSA-N 309.316 3.596 0 40 DHAB Cc1ccc(Cl)c(NC(=O)N[C@@]23C[C@H]2COC3(C)C)c1C 529078155 BVBYKINIPSEYAL-ZBEGNZNMSA-N 308.809 3.646 0 40 DHAB Cc1cnccc1O[C@@H]1CCN(c2ncc(Cl)cc2Cl)C1 1889108535 HTDUTXIKMUCILZ-GFCCVEGCSA-N 324.211 3.750 0 40 DHAB CC(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 545921 QEBUJZGDCITIPV-UHFFFAOYSA-N 322.408 3.874 0 40 DHAB O=C(c1ccc(CN2CCC2)cc1)c1ccc(F)cc1Cl 2514635 MMODNIQVJMYNSU-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB Cc1cccc(NC(=O)CSCc2c(C)noc2C)c1C 2656143 PKULWLFWWCBXBH-UHFFFAOYSA-N 304.415 3.780 0 40 DHAB CC(C)CO[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 3012370 XMWUWTGDBJXTPY-SNVBAGLBSA-N 304.645 3.518 0 40 DHAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)s1 3429240 QNRAWOVEMWYOOP-SNVBAGLBSA-N 323.801 3.894 0 40 DHAB Cc1ccc2nc(NC(=O)COc3ccccc3F)sc2c1 3429494 REXAUXALBYKTHZ-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB Cn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1 4287917 VFHSGUXBMXXUGO-ZDUSSCGKSA-N 321.833 3.739 0 40 DHAB C[C@H](COC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)N1CCCC1 4411194 XMEWHLNQVHUJQI-YDZRNGNQSA-N 317.473 3.953 0 40 DHAB Cc1ccc(C)c(C(=O)COC(=O)c2cn(C)c3ccccc23)c1 5261511 AZRUQWSLLHXJFE-UHFFFAOYSA-N 321.376 3.835 0 40 DHAB CSc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 6127505 YEZKNQNBOYADPK-ZDUSSCGKSA-N 301.411 3.665 0 40 DHAB COc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1F 6541084 RVHVEBCCGNYSMY-UHFFFAOYSA-N 306.362 3.696 0 40 DHAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(NC)s2)cc1 7102400 OEPPHTOBHHYFTQ-VIFPVBQESA-N 307.444 3.506 0 40 DHAB O=C(OCc1nc2ccccc2o1)c1ccc(-n2cccc2)cc1 7373145 MQGJFLOQIFGDKM-UHFFFAOYSA-N 318.332 3.976 0 40 DHAB COc1ccc(-c2csc(NC(=O)CCSC)n2)cc1 7641267 RRPPQZWOKJSVNQ-UHFFFAOYSA-N 308.428 3.510 0 40 DHAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 7644794 AMXVYAXCFOFGBG-LLVKDONJSA-N 317.772 3.602 0 40 DHAB COCCNc1ncnc2cc(-c3ccc(F)cc3)sc12 7653365 JUFXDFAQNFSCRD-UHFFFAOYSA-N 303.362 3.556 0 40 DHAB COc1ccc2oc(C(=O)Nc3ccc(F)cc3F)cc2c1 8166248 TWLJHZYRBQQKGT-UHFFFAOYSA-N 303.264 3.972 0 40 DHAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1F 8267143 UFXUJLFVHSBNKX-QWHCGFSZSA-N 324.827 3.930 0 40 DHAB CC[C@@H]1CCCCN1CCCOc1c(C=O)cccc1OC 8731541 DOEZLIPWEGLPHN-MRXNPFEDSA-N 305.418 3.541 0 40 DHAB O=C(N[C@H](c1ccccc1)C1CC1)N1CCc2sccc2C1 9936684 PIYUREINLUZVNW-QGZVFWFLSA-N 312.438 3.967 0 40 DHAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 10110824 XPMKATUQSPBEAX-HNNXBMFYSA-N 315.388 3.650 0 40 DHAB Cc1ccc(C)c(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 10900827 NKOXAACULONGKV-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB Cc1ccc(CCCNC(=O)CCCOc2ccccc2)cc1 13612749 MFIJHLYKEFZRIC-UHFFFAOYSA-N 311.425 3.903 0 40 DHAB COc1ccc(F)cc1CSc1nnc(NC2CC2)s1 14115771 XGUGQQSPAYPQTD-UHFFFAOYSA-N 311.407 3.552 0 40 DHAB COc1ccc(C2=N/C(=C\c3ccc(Cl)s3)C(=O)O2)cc1 14175963 UNRKNYDQLYODJM-WQLSENKSSA-N 319.769 3.755 0 40 DHAB O=C(COc1ccc(Cl)c2ccccc12)NCc1ccco1 14185584 VAXFYJHGZYWMGY-UHFFFAOYSA-N 315.756 3.781 0 40 DHAB Clc1ccc(OCCSC2=N[C@@H]3CCCC[C@@H]3N2)cc1 14196664 OVGUHKDYNWRFGA-OKILXGFUSA-N 310.850 3.722 0 40 DHAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)OCO2 17589524 BITWBQXYXHSKRZ-UHFFFAOYSA-N 324.361 3.791 0 40 DHAB COc1ccccc1CCNC(=O)Nc1cccc(Cl)c1 18180567 VAMRTZXDEBCFCJ-UHFFFAOYSA-N 304.777 3.713 0 40 DHAB Cc1nn([C@@H](C)CC(=O)Nc2ccnn2C(C)C)c(C)c1Cl 19577577 ACEBANZJXWQVKZ-JTQLQIEISA-N 323.828 3.521 0 40 DHAB CSc1ccc([C@H](C)NC(=O)COc2ccccc2)cc1 20025441 BMNCOOGGYAWVGL-ZDUSSCGKSA-N 301.411 3.665 0 40 DHAB CC(C)(Br)C(=O)Nc1nc2ccc(F)cc2s1 20133174 YWBDDHFNFOBLQJ-UHFFFAOYSA-N 317.183 3.547 0 40 DHAB COc1ccc([C@@H](NC(=O)c2ccccn2)c2ccccc2)cc1 21830291 KOYWRPQVCNTELU-IBGZPJMESA-N 318.376 3.610 0 40 DHAB CNCc1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 24081539 CUBTUSXIPYYAGX-UHFFFAOYSA-N 305.425 3.935 0 40 DHAB COC(=O)c1ccc(OCc2csc(-c3ccco3)n2)cc1 25457953 FGFCZBPTJFANSS-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB Cc1cc(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)on1 26468252 XCBKKCXUOYFDDE-UHFFFAOYSA-N 310.353 3.700 0 40 DHAB Cc1ccc(Cn2nc(C)c(NC(=O)C3CCCC3)c2C)cc1 27922169 BXCRCIMGXLQSCX-UHFFFAOYSA-N 311.429 3.985 0 40 DHAB Cc1ccc2sc(NC(=O)COc3ccccc3)nc2c1C 28305799 IIEILLSOKDNYIC-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB CCCn1nc(C)cc1NC(=O)c1cc(Cl)ccc1OC 32610657 XCHKEBGOPITPSE-UHFFFAOYSA-N 307.781 3.516 0 40 DHAB COC(=O)c1cccc(COC(=O)c2c(C)[nH]c3ccccc23)c1 32824099 BAQPCEUJGWGHKD-UHFFFAOYSA-N 323.348 3.620 0 40 DHAB COc1cc(Br)c(O)cc1OCc1ccccc1 38229221 ZKKBDJHAEFPFSX-UHFFFAOYSA-N 309.159 3.742 0 40 DHAB CSc1ncccc1C(=O)N1CCCc2c(F)cc(F)cc21 40090387 GDVRBYNYGQBFJG-UHFFFAOYSA-N 320.364 3.675 0 40 DHAB CCc1ccccc1NC(=O)CSc1nncc2ccccc12 44156837 WUJPEHNLNYMOHD-UHFFFAOYSA-N 323.421 3.923 0 40 DHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 44253055 CJJVTHYYLSMCGV-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1ccncc1 44935218 ADSMVZMFCTWPJT-AWEZNQCLSA-N 315.442 3.947 0 40 DHAB COCCCc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 58159315 OEPUFWRTKQRPEE-UHFFFAOYSA-N 318.442 3.984 0 40 DHAB C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F 58160745 WOMYCCHEVCKNIG-GHMZBOCLSA-N 322.330 3.782 0 40 DHAB Cc1ccc(C)n1C1CCN(c2nccc(C(F)(F)F)n2)CC1 58427060 JDMKHDVEOHYTEU-UHFFFAOYSA-N 324.350 3.755 0 40 DHAB CCCCS(=O)(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 60029827 DJRHWLVZPMNZDN-UHFFFAOYSA-N 309.475 3.904 0 40 DHAB C[C@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 62927478 HBZJGHOKYVTRDI-LBPRGKRZSA-N 323.820 3.764 0 40 DHAB O=C(CCc1ccccn1)Nc1cccc(-n2cc[nH]c2=S)c1 63337608 LFUKXNAFAKEDHS-UHFFFAOYSA-N 324.409 3.501 0 40 DHAB CC[C@@H](C)NCc1ccccc1-c1ccc(S(C)(=O)=O)cc1 67910354 IDJLBFWWVPRIFO-CQSZACIVSA-N 317.454 3.645 0 40 DHAB CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1 68590929 NQRUYCVWCPVFIP-SJORKVTESA-N 318.461 3.512 0 40 DHAB in-vitro CCc1ccc(C(=O)N2CCC(c3nc(C)cs3)CC2)o1 71184898 LLXZSFACCJVOGS-UHFFFAOYSA-N 304.415 3.627 0 40 DHAB CCc1ccc(Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 71418246 MZVWSBOGISRJEI-UHFFFAOYSA-N 319.408 3.975 0 40 DHAB COc1ccccc1-c1ccc(CC2CCN(C(C)=O)CC2)cn1 72360725 XUVVLJPWSHXLRI-UHFFFAOYSA-N 324.424 3.558 0 40 DHAB Nc1ccc(Br)cc1-c1nc2cc(Cl)cnc2o1 78406840 ACIZGBBSYLVRDN-UHFFFAOYSA-N 324.565 3.888 0 40 DHAB CN1CCC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 82336949 HMBZBDFQLNKIGD-VIFPVBQESA-N 320.742 3.639 0 40 DHAB Cc1cccc(CC2CN(C(=O)c3cc(F)cc(F)c3)C2)c1 85460359 LEOLHLBIBAQURS-UHFFFAOYSA-N 301.336 3.588 0 40 DHAB CC(C)C[C@H](c1nc(-c2ccsc2)no1)N1CCCCC1=O 88335513 YLVBEORANWQRIQ-CYBMUJFWSA-N 319.430 3.898 0 40 DHAB NC(=O)c1cccc(NCc2cc(C(F)(F)F)ccc2F)c1 89780580 ZWPTUJJJSAKMDX-UHFFFAOYSA-N 312.266 3.556 0 40 DHAB Cc1ncccc1CN(Cc1ccccc1)CC1CCOCC1 93342166 GIVZRPWNXNVEJO-UHFFFAOYSA-N 310.441 3.819 0 40 DHAB COc1cccc(C(=O)c2ccc(C)c(Br)c2)c1 95917148 NOWGGQNOAAXFCI-UHFFFAOYSA-N 305.171 3.997 0 40 DHAB CCCn1cc(NC(=O)Nc2ccnn2[C@@H](C)CC(C)C)cn1 95942252 BQSQHKBEBBLVAQ-ZDUSSCGKSA-N 318.425 3.741 0 40 DHAB CC(C)(C)c1ccc(CNc2cccnc2-n2cncn2)s1 95972085 QPCDEJQKJRXVIW-UHFFFAOYSA-N 313.430 3.633 0 40 DHAB CCCNC(=O)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 96154291 WTWKKXMNVOMJDC-UHFFFAOYSA-N 311.341 3.500 0 40 DHAB O=C(CC[C@H]1CCCO1)Nc1cccc(Oc2ccccn2)c1 96433210 RQDKWLMIDBGZFF-OAHLLOKOSA-N 312.369 3.772 0 40 DHAB Cc1cc(C)nc(NC(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1 97142960 BKNLXMVAZRLXQV-LBPRGKRZSA-N 318.446 3.997 0 40 DHAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)O)(C4)C2)C3)c(F)c1 100330105 KJMFEKZUTNZVJC-VCKYCXPWSA-N 304.361 3.757 0 40 DHAB CN1[C@@H]2CC[C@@H]1CC(NC(=O)/C=C/c1cccc3ccccc13)C2 102239707 ANEGKXXUNGIDBD-FCJQBXHQSA-N 320.436 3.594 0 40 DHAB Cc1nc([C@H](C)N2C[C@@H](C)[C@@H](O)C2)oc1-c1ccc(Cl)cc1 108153100 BIJMNULQGKGOPZ-GMXABZIVSA-N 320.820 3.677 0 40 DHAB CCO[C@@H](C)c1nc(CN[C@H]2CC(C)(C)OC2(C)C)cs1 119894474 YPXWPPSSTROEPO-AAEUAGOBSA-N 312.479 3.676 0 40 DHAB Cc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(N)n1 127028760 BIXOPUVSBZYUEU-UHFFFAOYSA-N 302.687 3.783 0 40 DHAB CC(C)(C)c1cnc(CCC(=O)N2CCc3ccc(F)cc32)o1 192190865 BEYDYPVCDFIOSL-UHFFFAOYSA-N 316.376 3.633 0 40 DHAB O=C(O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1O 216754816 ZXLBDEMTGQOIDO-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB CC(C)(C)NC(=S)Nc1ccc(N2CCCCCC2)nc1 223883213 KFEHOGYBKUMVLZ-UHFFFAOYSA-N 306.479 3.547 0 40 DHAB COc1ccc(C(=O)NC2CCCCC2)cc1COC(C)C 224421817 RJOIDURYQVDEDL-UHFFFAOYSA-N 305.418 3.683 0 40 DHAB CC(C)CSc1nnc(NC(=O)CCc2ccccc2)s1 224532038 LPWMYVMXBURODS-UHFFFAOYSA-N 321.471 3.858 0 40 DHAB O=C(Nc1ccc(F)cc1)c1cc2cccc(Cl)c2oc1=O 226039423 XVZOQTCERZANAZ-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1c(C)cc(C)cc1C 408707452 BGRPOGAKCUUAOI-INIZCTEOSA-N 318.461 3.883 0 40 DHAB COc1ccc2c(c1)Cc1sc(Nc3ccccc3OC)nc1-2 408892429 BGIHAEJYEHREDM-UHFFFAOYSA-N 324.405 4.475 0 40 DHAB CC1(c2nc(-c3ccccc3NC(=O)C3CC3)no2)C[C@@H]2C[C@H]2C1 559934559 BIYBRIJWMSQTCY-STQMWFEESA-N 323.396 3.773 0 40 DHAB Cc1ccccc1N(C(=O)C[C@@H](C)N1CCCCC1=O)C(C)C 585080308 GANKBCGUCUZMRM-MRXNPFEDSA-N 316.445 3.528 0 40 DHAB O=C(O)[C@@H]1C[C@@H](Cc2cccc(C/C=C/c3ccccc3)c2)CN1 669369702 GOEKIYIUFNPXHO-CAOORPEHSA-N 321.420 3.548 0 40 DHAB O=C(c1ccccc1Cl)N1CCC[C@H](Cc2nccs2)C1 928281437 XKPWFUVUWRQQSY-GFCCVEGCSA-N 320.845 3.891 0 40 DHAB Cc1cccc(N2C(=O)C[C@@H](c3cn(C)c4ccccc34)C2=O)c1 487982 VLLNKNUCPLIXSP-INIZCTEOSA-N 318.376 3.534 0 40 DHAB biogenic Cc1[nH]c2c(ccc3cccnc32)c1[C@@H]1[C@@H](CC(N)=O)C1(C)C 1418657 UTXMYOXAUWPCNE-CJNGLKHVSA-N 307.397 3.640 0 40 DHAB CCOC(=O)/C(=C\c1ccc(C)o1)P(=O)(OCC)OCC 1634978 AQISTQMXBBBROQ-JLHYYAGUSA-N 316.290 3.758 0 40 DHAB Cc1ccc(C)c(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1 4163689 SVXQXISLIFBFSW-UHFFFAOYSA-N 306.365 3.915 0 40 DHAB CCN(CC)C(=O)CSc1nc(-c2ccccc2)cs1 4516957 BGJAXKDHJDPKKK-UHFFFAOYSA-N 306.456 3.771 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 4580041 VTJGJXGLEPGNTO-CYBMUJFWSA-N 308.333 3.752 0 40 DHAB O=c1ccc(-c2cccs2)nn1Cc1c(F)cccc1Cl 5388135 TVTXYKBHGJAINT-UHFFFAOYSA-N 320.776 3.813 0 40 DHAB COc1cc(C(=O)N(C)C)ccc1OCc1ccccc1Cl 5704641 JGZWPEFQONXECX-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB O=C1C(=O)N(Cc2ccccc2F)c2c1cccc2C(F)(F)F 6662813 NBOROLWFAHEYRD-UHFFFAOYSA-N 323.245 3.574 0 40 DHAB O=c1[nH]c(SCc2ccccc2)nc2ccc(Cl)cc12 6694674 LZLSLYVRHSLQBY-UHFFFAOYSA-N 302.786 3.869 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccccc1F)c1cccc(Cl)c1 7305237 NVCMFKKFVVHGTG-SNVBAGLBSA-N 313.781 3.519 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2cccs2)c1 7309988 OQJUADZCRZHTDK-AWEZNQCLSA-N 321.467 3.891 0 40 DHAB Cc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)n(C)n1 12443979 ZGDZTFRIINZULS-UHFFFAOYSA-N 305.381 3.572 0 40 DHAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 13612783 FWEDKWYRPIDWQE-INIZCTEOSA-N 311.381 3.727 0 40 DHAB CCOc1cc2ccccc2cc1C(=O)Nc1nnc(C)s1 14188022 JBTYJCQUJIIOAD-UHFFFAOYSA-N 313.382 3.651 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2)c(C)c1 15139434 XBCTVDPELWEDKK-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CC(C)[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 15550251 DWWAMDAYFHIACP-WOJBJXKFSA-N 322.452 3.993 0 40 DHAB Cc1ccc(-n2ncc3c(N4CCC[C@H](C)C4)ncnc32)cc1C 17120357 FQUAGGCZMZXORL-ZDUSSCGKSA-N 321.428 3.669 0 40 DHAB c1ccc(CCCN2CCN(C3CCCCCC3)CC2)cc1 19789961 TXGRUVNEPSBWLE-UHFFFAOYSA-N 300.490 3.960 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1Cl 20139346 XQFXIJKKFQMTDC-UHFFFAOYSA-N 303.745 3.528 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)Nc2nc(C)c(C)s2)cc1C 20402794 VKAOZGQDEOLFQQ-GFCCVEGCSA-N 303.431 3.816 0 40 DHAB CCCCC(=O)Nc1ccc2nn(-c3ccc(OC)cc3)nc2c1 20610023 NIUBFWPXQLXKCC-UHFFFAOYSA-N 324.384 3.558 0 40 DHAB O=C(NCc1cccs1)c1csc(Nc2ccccc2)n1 23136775 CNKMSEJNPKBACO-UHFFFAOYSA-N 315.423 3.878 0 40 DHAB Clc1c(CN2CCC3(CC2)OCCO3)sc2ccccc12 24755269 YCDJEUXQLSXFSU-UHFFFAOYSA-N 323.845 3.894 0 40 DHAB C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)NCc1cccs1 24985709 OYZDIASZDFTYCR-RYUDHWBXSA-N 322.861 3.757 0 40 DHAB Cc1sc2ncnc(N[C@H]3CCCc4c3cnn4C)c2c1C 25567267 RYPHSXSLNZBWLA-LBPRGKRZSA-N 313.430 3.531 0 40 DHAB O=C(NC1CCN(CC2CCCCC2)CC1)c1ccc(F)cc1 27440457 NXJUJJGEWOFQTQ-UHFFFAOYSA-N 318.436 3.600 0 40 DHAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 27901437 SJQYTODHNILQKC-YGRLFVJLSA-N 316.228 3.610 0 40 DHAB CSc1ncc(Cl)c(-c2nnc(-c3ccccc3C)o2)n1 27995568 QCIUARSBMXZOTI-UHFFFAOYSA-N 318.789 3.877 0 40 DHAB CCCN(Cc1ccccc1)C(=O)c1ccc(NC(C)=O)s1 32879253 NOYBGZMMJKBBRY-UHFFFAOYSA-N 316.426 3.759 0 40 DHAB O=C(NC1CC1)c1cc2occc2n1Cc1ccccc1Cl 35475365 IBVXQYUNLZLFDM-UHFFFAOYSA-N 314.772 3.828 0 40 DHAB COc1ccc(NC(=O)Cc2sc(C)nc2C)cc1Cl 36359469 JEEXQABHVHNGQR-UHFFFAOYSA-N 310.806 3.603 0 40 DHAB COc1ccc(NC(=O)c2cc3occc3n2C)cc1Cl 36364910 CZDMAEFVSRKNQQ-UHFFFAOYSA-N 304.733 3.686 0 40 DHAB COc1cc(C)c(NC(=O)N[C@H]2CCCC[C@H]2C)cc1OC 40103471 CONHETOMZHDSKO-YPMHNXCESA-N 306.406 3.712 0 40 DHAB O=C(Nc1cccc2ncccc12)N1CCc2ccccc2C1 40103580 XMUOQQDATXENNC-UHFFFAOYSA-N 303.365 3.825 0 40 DHAB C[C@@H](CC(=O)NC1CCN(C(C)(C)C)CC1)c1ccccc1 40555805 MFOCRIBZCUIWRJ-HNNXBMFYSA-N 302.462 3.559 0 40 DHAB C[C@H](NC(=O)c1ccc(C(N)=S)cc1)c1cc2ccccc2o1 47271104 QGHDZUMDKNDHEC-NSHDSACASA-N 324.405 3.558 0 40 DHAB CCN(CC)c1ccc(NC(=O)N2CC[C@H]2c2ccccc2)cn1 48172757 KAJQGWDKLDPIBF-KRWDZBQOSA-N 324.428 3.907 0 40 DHAB CC(C)Oc1ccccc1NC(=O)NCc1ccccc1F 48193745 DBCCNGNVDLVGQL-UHFFFAOYSA-N 302.349 3.935 0 40 DHAB CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C)cc2)cc1 59472466 VGQWMHRAPFPMHQ-UHFFFAOYSA-N 322.364 3.945 0 40 DHAB Cc1ccc(C)c(OCC(=O)N2CCSc3ccccc32)c1 60382337 XOXYDLMYTRZOCZ-UHFFFAOYSA-N 313.422 3.821 0 40 DHAB Cc1nc(C2(NCCOc3ccccc3)CCCCCC2)no1 63512207 SLEFHWTYPCEIDU-UHFFFAOYSA-N 315.417 3.596 0 40 DHAB O[C@@H](Cn1c([C@H]2CCCO2)nc2ccccc21)c1ccccc1 65005830 PUEOZVNZXIRZHP-ZWKOTPCHSA-N 308.381 3.621 0 40 DHAB Cc1ccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)cn1 66413113 SAFXKNSFBUKTPM-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB CC(C)Cn1cc(C(=O)Nc2ncccc2O)c2ccccc21 69879870 CWFKOZWGNXLLDU-UHFFFAOYSA-N 309.369 3.650 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2C)cc1 71761169 QHWKWQWYBYHVKE-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB Cc1ccc2cccc(NC(=O)NCc3ncccc3C)c2n1 71907968 JLVRNJGSKHTSTE-UHFFFAOYSA-N 306.369 3.568 0 40 DHAB CCOc1cc(C(=O)NCCc2ccccc2)cc2occc12 72240163 OOCRDJVEGJFZCS-UHFFFAOYSA-N 309.365 3.804 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 72287098 YHWTYKADRQLJSA-SECBINFHSA-N 315.257 3.686 0 40 DHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc2[nH]ncc12 75635127 QTVOPMNKKZCJDO-SFHVURJKSA-N 322.412 3.659 0 40 DHAB Cc1ccc2oc(S[C@H](C)C(=O)Nc3cc(C)no3)nc2c1 79102477 DAIHBGZGOUZCFR-SNVBAGLBSA-N 317.370 3.552 0 40 DHAB Cc1ccccc1[C@@H](C)NCCc1cccc(C(=O)N(C)C)c1 89689146 RPKKUWSVJDDMPB-MRXNPFEDSA-N 310.441 3.590 0 40 DHAB CCC(CC)n1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2SC)n1 89943233 NASSWAKDYKONDJ-HUUCEWRRSA-N 309.479 3.600 0 40 DHAB O=C(O)c1c(F)cc(F)c(-c2c(F)cc(F)cc2F)c1F 95486382 KNXXZGRJTOREEX-UHFFFAOYSA-N 306.161 3.886 0 40 DHAB COc1ccc2cc(C(=O)c3ccc4c(c3)OCO4)ccc2c1 95917100 GSCIVXWAFZNYON-UHFFFAOYSA-N 306.317 3.808 0 40 DHAB Cc1nnc(COc2ccc(-c3cscn3)cc2)n1C1CC1 95983953 LAXMYWRZTZLFEC-UHFFFAOYSA-N 312.398 3.624 0 40 DHAB CCCCSCCC(=O)N[C@H](C)c1cccc(NC(C)=O)c1 96416405 HPBYDSMEZJRXLE-CYBMUJFWSA-N 322.474 3.746 0 40 DHAB O=C(OCCc1ccc2ccccc2c1)C1C[C@@H]2CC[C@H](C1)C2=O 97020023 RKACJBCEAKFKFP-DFNIBXOVSA-N 322.404 3.931 0 40 DHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCCc3ccccc31)CC2=O 100752524 MNHDPTVCACLTCZ-PMACEKPBSA-N 311.425 3.751 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C 101275383 QEMOAVTWVQYYHI-SFHVURJKSA-N 322.408 3.664 0 40 DHAB CSc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccco1)N2 101416061 BMRJIXBSXCECMN-CYBMUJFWSA-N 310.382 3.649 0 40 DHAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)sc(C)c1C 102309881 NIDJQJVDRZXUDS-RWMBFGLXSA-N 319.426 3.692 0 40 DHAB Cc1nc2ccc(OC(=S)N3CCC(C)CC3)cc2nc1C 107941348 XBFAYQVDFUWQOT-UHFFFAOYSA-N 315.442 3.642 0 40 DHAB c1ccc(CN2C[C@@H]3[C@@H](CC[C@H]3NCc3ccsc3)C2)cc1 108494406 JOLRAJSQTZKBJR-IPMKNSEASA-N 312.482 3.748 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)n1 148104937 SREBXQGTJRMPNA-UHFFFAOYSA-N 323.371 3.940 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(OC)cc1 222859409 FIKBPUDJKAFWAE-SFHVURJKSA-N 313.397 3.511 0 40 DHAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccccc2F)c1 226254669 LXMUUNAAYDBFHM-UHFFFAOYSA-N 313.376 3.651 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C 229962097 XWHWCKHMKQSYBV-APQLOABGSA-N 300.442 3.845 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@H]1c1ccncn1 257239490 HPMTZZZPRCWZHR-AWEZNQCLSA-N 309.394 3.669 0 40 DHAB Cc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)cc1 408528523 IUOFMEWPUIXTQT-UHFFFAOYSA-N 308.312 3.810 0 40 DHAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)C)cc1 408708870 MNSWYJHWQWGAEI-UHFFFAOYSA-N 324.424 3.627 0 40 DHAB CCC[C@H](C(=O)Nc1cnccc1CO)c1cccc(Cl)c1 528926450 BLYMGBICUSPJGA-HNNXBMFYSA-N 318.804 3.750 0 40 DHAB Cc1cccc([C@H](NCc2nc(C3CC3)nn2C)C(C)(C)C)c1 580547557 ISXMEGJNHHYRGI-KRWDZBQOSA-N 312.461 3.878 0 40 DHAB Cc1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 35718 AMMJRQOPAYYELN-UHFFFAOYSA-N 317.388 3.870 0 40 DHAB CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CC)cc2)cc1 493171 JKZLVYYLOOGLBI-UHFFFAOYSA-N 310.397 3.974 0 40 DHAB CCOC(=O)c1ccc(NC[C@H]2CCc3ccccc3N2)cc1 1713106 NVTXWNVRYRXWPJ-QGZVFWFLSA-N 310.397 3.702 0 40 DHAB COc1cc(CSc2ccc(O)cc2)cc(OC)c1OC 1856886 JBTRUPZYRYLZFH-UHFFFAOYSA-N 306.383 3.710 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 3231803 NXKKFTHCRZMBCF-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)c(C)c1 3424792 XOXWEQPTQLNTTH-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB CCC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@H]2[C@@H]1c1ccco1 4555199 OFOXTMOYXZXIJT-JBBXEZCESA-N 315.344 3.994 0 40 DHAB Cc1ccc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)o1 4709094 VGVFHWLTUHRGFS-UHFFFAOYSA-N 316.338 3.859 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 5441694 NYPARMZUUBZJDP-UHFFFAOYSA-N 308.381 3.764 0 40 DHAB COc1cccc(-c2cc(C(=O)Nc3ccc(C)cc3)n[nH]2)c1 6942906 VYTHTXFKAZJEPS-UHFFFAOYSA-N 307.353 3.646 0 40 DHAB aggregator Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1 8271669 DSAVUPMEOSOELG-UHFFFAOYSA-N 314.473 3.914 0 40 DHAB C[C@@H](Sc1nc(-c2ccccc2)nc2ccccc12)C(=O)O 8534824 BRTVKHUGCCQFEL-LLVKDONJSA-N 310.378 3.862 0 40 DHAB CN1C(=O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 8656027 LSTYNRPPTUJOBK-FPMBYBGASA-N 317.473 3.521 0 40 DHAB COc1cc(Cl)c(NC(=O)c2ccc(F)cc2)cc1OC 8708690 ALRDLUGNFCNFSP-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB O=C(O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 11961763 GKPPWTYIGIOWRT-ZDUSSCGKSA-N 307.143 3.654 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)NCCCOCC(C)C)cc1 12552574 MEHOTWOTWJLZNN-OAHLLOKOSA-N 322.449 3.508 0 40 DHAB COc1ccc(C(=O)N(C)c2ccccc2)cc1Br 12816749 ZFZUVEJUJIZIDY-UHFFFAOYSA-N 320.186 3.734 0 40 DHAB O=C(Cn1c(N2CCCCC2)nc2ccccc21)c1ccccc1 13139577 ITWSZJWNIIQOHB-UHFFFAOYSA-N 319.408 3.910 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 13649817 JFNIKFUZLJNKOH-GFCCVEGCSA-N 301.773 3.697 0 40 DHAB Cc1cc(C)cc(COC(=O)c2ccc(Cn3cccn3)cc2)c1 14149867 ONHREPGBGJGORD-UHFFFAOYSA-N 320.392 3.905 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 14257541 SMMUUHLCVCFYIZ-UHFFFAOYSA-N 321.229 3.558 0 40 DHAB Cc1nn(-c2nc3ccccc3o2)c(O)c1Cc1ccccc1 14607843 SBHOSSHIJKLUSO-UHFFFAOYSA-N 305.337 3.618 0 40 DHAB COc1ccc(C(=O)N2CCc3cc4cccc(C)c4nc32)cc1 15842016 ZDQGXWIORWWYHV-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 17916562 OJYSVBCSDPYYLW-CQSZACIVSA-N 323.371 3.562 0 40 DHAB CC(C)COc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736618 ZZUNQSWIWMWOEQ-UHFFFAOYSA-N 302.349 3.695 0 40 DHAB CCCOc1cccc(C(=O)Nc2ccc(C(=O)O)cc2C)c1 20595694 OGXKWHRPPBEBKD-UHFFFAOYSA-N 313.353 3.734 0 40 DHAB COc1ccc(Cl)cc1CN[C@H](C)[C@@H](O)c1ccccc1 22076436 RVTKBHTVBGBRTR-SJKOYZFVSA-N 305.805 3.560 0 40 DHAB O=C(C1CCCCC1)N1CCC([C@H](O)c2ccccc2)CC1 23384053 MGEBFYVSCQRRFX-GOSISDBHSA-N 301.430 3.539 0 40 DHAB C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H](C)O1 24002266 LKVKAYUOSLMJRV-HZPDHXFCSA-N 324.424 3.548 0 40 DHAB CCn1nccc1CNC(=O)c1cccc(Oc2ccccc2)c1 28219617 QNQRJBJCWLXZNI-UHFFFAOYSA-N 321.380 3.625 0 40 DHAB CS[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 31691259 WTPFNSLGIARWSD-VIFPVBQESA-N 310.419 3.948 0 40 DHAB Cc1ccc(-c2cc(C(=O)NC3CCC(C)CC3)n[nH]2)s1 32060982 TYOMGSQRIOUAIQ-UHFFFAOYSA-N 303.431 3.755 0 40 DHAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ccccc2)C1 38567179 NGYPAEXMFPNOIA-CQSZACIVSA-N 315.800 3.978 0 40 DHAB C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1ccnc1 48333353 KJGZGQWPECOTKO-WFASDCNBSA-N 303.431 3.553 0 40 DHAB Cc1ccc(NC(=O)c2ccccn2)c(OCC(F)(F)F)c1 56989765 FQOULFXTWXZBMV-UHFFFAOYSA-N 310.275 3.583 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)c1cc(C2CC2)nc2ccccc12 58174551 UIMHYLVVHLWZBA-CQSZACIVSA-N 324.424 3.611 0 40 DHAB CC(C)(C)c1cc(NC(=O)Nc2cc(C(C)(C)C)on2)no1 60262406 UMDOQTDANJTGJY-UHFFFAOYSA-N 306.366 3.902 0 40 DHAB O=C(NCc1nccs1)c1cc(F)ccc1-c1ccccc1 65515519 PGOWEZCDCSYOQO-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB O=C(C[C@H]1C=CCC1)NC1(c2ccc(Cl)cc2)CCOCC1 69370997 BNYUCSGCGQEDKW-AWEZNQCLSA-N 319.832 3.818 0 40 DHAB Cc1ccc(CNCc2ccsc2)c(O[C@@H]2CCOC2)c1 95412299 YBUFOFFUMRREDS-MRXNPFEDSA-N 303.427 3.514 0 40 DHAB COc1cc(C(=O)c2cc(F)cc(Cl)c2)cc(OC)c1OC 95916229 QNSGODZUPNBVOY-UHFFFAOYSA-N 324.735 3.736 0 40 DHAB O=C(C[C@H]1CCCN1Cc1nccn1C(F)F)c1ccccc1 95965476 SFTXPBDUFGBOOD-CQSZACIVSA-N 319.355 3.516 0 40 DHAB CC[C@@H](NCc1nc(-c2cccs2)no1)c1c(C)noc1C 96013924 YRRVDUKYCSYYPH-LLVKDONJSA-N 318.402 3.644 0 40 DHAB O=C(Nc1cccc(CN[C@H]2CCCSC2)c1)c1ccco1 97370893 TWLWEVPJAXPAEZ-HNNXBMFYSA-N 316.426 3.517 0 40 DHAB O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1C[C@H]2CC[C@H]1C2 106167656 URLNEFRHRKGBJM-HJPIBITLSA-N 320.230 3.564 0 40 DHAB COc1cccc(C(=O)NCCOc2ccccc2C(C)C)c1 223745301 HVJFQKGRFPMBIT-UHFFFAOYSA-N 313.397 3.627 0 40 DHAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 224682142 FQCSBARLTYNINI-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB CC(C)CSc1nnc(NC(=O)c2cccc(F)c2)s1 224960130 UBVATNFRMUQHRW-UHFFFAOYSA-N 311.407 3.678 0 40 DHAB C[C@H](CNC(=O)COc1cccc2c1CCCC2)c1ccccc1 225133998 LPZMJLYOSMVREW-MRXNPFEDSA-N 323.436 3.864 0 40 DHAB O=C(NCCC1=CCCCC1)c1snnc1-c1cccs1 225787014 FQHGCOQLZHVYIG-UHFFFAOYSA-N 319.455 3.887 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c(C)n1 225883158 MGFVQPZMMILDPH-KRWDZBQOSA-N 308.422 3.569 0 40 DHAB Cc1cccc(CN(C)Cc2cnc([C@H]3CCCCO3)nc2)c1 257245253 IORKXOJNPBFPLZ-GOSISDBHSA-N 311.429 3.659 0 40 DHAB CCCNC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408675426 IOARMZUVRUTNGQ-UHFFFAOYSA-N 320.392 3.624 0 40 DHAB Cc1ccc(C)c2c(C)c(C(=O)N3CC4(CCOCC4)C3)oc12 521394275 MKBQOGSBGKATMA-UHFFFAOYSA-N 313.397 3.611 0 40 DHAB COC1CCC(NC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 582286708 ZMCOKGUCCPLYOC-UYSNPLJNSA-N 320.433 3.864 0 40 DHAB CC(C)(C)OC(=O)NCc1ccc2cc(C(=O)O)ccc2c1 1535646077 SZJIWMULGQKJCX-UHFFFAOYSA-N 301.342 3.563 0 40 DHAB CCSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 2087120160 ZLOTZKWJIHJCDW-UHFFFAOYSA-N 302.424 3.868 0 40 DHAB O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CCC1 2515622 ZSDKGSCBSHNIGO-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB O=C(COc1ccccc1)N(c1nccs1)C1CCCCC1 3298872 QRJDCKIPPAQMFR-UHFFFAOYSA-N 316.426 3.888 0 40 DHAB O=C(CSc1ccccc1F)NC(=O)c1ccc(Cl)cc1 3328117 AHGLDRZOQQBICM-UHFFFAOYSA-N 323.776 3.528 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCCc3ccccc32)cc1 3419781 LXWYLFGKUJXXOB-AWEZNQCLSA-N 322.408 3.669 0 40 DHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccccc2o1 3451063 KODZZEKQIJHXDZ-HNNXBMFYSA-N 324.380 3.593 0 40 DHAB Cc1cccc(Nc2nc(C(=O)N3CCCCC3)cs2)c1 4687909 JNDFBFHGUVMZKX-UHFFFAOYSA-N 301.415 3.821 0 40 DHAB CC(C)c1nnc(NC(=O)CSCc2ccccc2)s1 4702911 HTNJMWPJUUVSBF-UHFFFAOYSA-N 307.444 3.533 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc2c(c1)C(=O)c1ccccc1-2 4775342 YDADBIHVRBDJCJ-UHFFFAOYSA-N 319.282 3.813 0 40 DHAB CC(=O)c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 5511870 DOFRPLFJWBAQHM-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB O=C(CCCC(=O)OCC(F)(F)F)Nc1ccc(Cl)cc1 5769727 QSYXKWBGJQEXOE-UHFFFAOYSA-N 323.698 3.554 0 40 DHAB Cc1c(C(=O)NCc2ccc(CN(C)C)cc2)oc2ccccc12 7437448 JRHWJWDLYXRCJS-UHFFFAOYSA-N 322.408 3.733 0 40 DHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1 8479064 UKULIZUOOCQAGM-MRXNPFEDSA-N 303.789 3.814 0 40 DHAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)on1 9155997 VNQXEEQRQJXUNY-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB CCc1cccc(CC)c1NC(=O)Cc1ccc(NC(C)=O)cc1 9156033 UQLFPCXYTVXMIX-UHFFFAOYSA-N 324.424 3.951 0 40 DHAB COC(=O)c1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)cc1 9366226 DAIUUKGFKOOUPD-ATGUSINASA-N 323.392 3.706 0 40 DHAB CCCNC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 9974022 BTJPYSFXXLVJOL-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB COc1ccc(F)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C 10302074 FSBALJSYJWSIBX-UHFFFAOYSA-N 323.389 3.560 0 40 DHAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1ccccc1 11613680 LKLFPLPPFKQROF-UHFFFAOYSA-N 315.275 3.977 0 40 DHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCc1ccccc1 11637266 ZRDCNINCJIETDJ-LJQANCHMSA-N 311.425 3.820 0 40 DHAB CC(=O)CSc1nnc(-c2ccccc2)c2sc(C)nc12 12232848 HSYYEMRIRRCBDW-UHFFFAOYSA-N 315.423 3.743 0 40 DHAB O=C(Nc1ccc(Cl)c2cccnc12)[C@@H]1Cc2ccccc2O1 12808397 SXTDRAPEHPCXRI-INIZCTEOSA-N 324.767 3.830 0 40 DHAB COc1cccc(-c2nc(NC(C)C)c3ccccc3n2)c1O 13127472 XFJDOMZEJAXJPU-UHFFFAOYSA-N 309.369 3.831 0 40 DHAB Cc1ccc(CNCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 13998449 PSXKABFUWSZINS-UHFFFAOYSA-N 306.409 3.743 0 40 DHAB CC(C)(C)OC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 16697174 GERCIEUFEWCELG-LBPRGKRZSA-N 320.216 3.942 0 40 DHAB CC(C)C(=O)NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 21596333 KLPJNBVKZHWURM-UHFFFAOYSA-N 324.755 3.828 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)CCCOc1ccccc1 22367404 CGZHAKHUSSMIJD-HNNXBMFYSA-N 313.397 3.732 0 40 DHAB c1ccc(Cn2cc(CN[C@@H]3CCOc4ccccc43)cn2)cc1 24082011 XFBKZLAPGFZMJH-LJQANCHMSA-N 319.408 3.545 0 40 DHAB O=C(CCc1ccccc1)Nc1ccn(Cc2ccc(F)cc2)n1 27915810 OFFSRLOCKABPMQ-UHFFFAOYSA-N 323.371 3.642 0 40 DHAB CCOP(=O)(OCC)[C@H](N)C12CC3CC(CC(C3)C1)C2 27988355 BOKQGHLFCVACJW-IHXHZNKUSA-N 301.367 3.754 0 40 DHAB CN(CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCc2ccccc21 29489218 FDAZFGLYWARFLG-KRWDZBQOSA-N 316.351 3.523 0 40 DHAB CCOc1ccc(NC(=O)NCCc2ccccc2F)cc1 40095552 ACDFDDNYBDELGJ-UHFFFAOYSA-N 302.349 3.589 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(N)c(Cl)c(Cl)c1 40295150 UIMKVYLWJAVFAE-RKDXNWHRSA-N 301.217 3.979 0 40 DHAB Cc1ccc(Sc2oc(-c3ccccc3)nc2C(N)=O)cc1 41154474 MMVHJHOZWKYHBM-UHFFFAOYSA-N 310.378 3.900 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1ccccc1 44087559 AJLPUWXJLLXXLE-GFCCVEGCSA-N 308.341 3.619 0 40 DHAB Cc1noc(C)c1CCC(=O)Nc1cccc(-c2cnco2)c1 48205264 OKYCVLOPDMGMOG-UHFFFAOYSA-N 311.341 3.518 0 40 DHAB O=C(C[C@@H]1C=CCC1)NCCc1ccc(OC(F)(F)F)cc1 48326440 INCVYHXIOQDUQP-CYBMUJFWSA-N 313.319 3.600 0 40 DHAB CC1(C)CC(NC(=O)N2CCC[C@@H]2C2CCCC2)CC(C)(C)N1 56780741 AIXYSLNJALKDPX-MRXNPFEDSA-N 321.509 3.660 0 40 DHAB c1cc(-c2nnn(Cc3csc(C4CCCC4)n3)n2)cs1 64032116 TVMIHLVWWCZFAB-UHFFFAOYSA-N 317.443 3.564 0 40 DHAB COc1ccccc1-n1nc(C2CC2)nc1-c1ccccc1O 65529989 ZEHYQWDAZVTCJU-UHFFFAOYSA-N 307.353 3.526 0 40 DHAB O=C(c1ccco1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 69349468 LOJONMJJVHHNAE-ROUUACIJSA-N 324.424 3.549 0 40 DHAB Cn1cccc1C(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 69900449 DRSQOYJSKJKBIY-CQSZACIVSA-N 323.396 3.572 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1c(C)cc(C)cc1N 70462862 SUCQUDYYGQRQFA-UHFFFAOYSA-N 304.777 3.800 0 40 DHAB CCN(C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72212723 MZDKQSKYOXWNJX-KRWDZBQOSA-N 309.413 3.515 0 40 DHAB CNc1cc(C)c([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72219068 JUJFTINGESOAIJ-AWEZNQCLSA-N 305.422 3.894 0 40 DHAB c1csc(-c2cnc(CNc3cccc4c3OCCO4)o2)c1 72911927 JXQDNMAPTLGIKX-UHFFFAOYSA-N 314.366 3.786 0 40 DHAB O=C(Nc1ncccc1O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 73407357 XINAGVMBRPGMPT-GHMZBOCLSA-N 322.286 3.548 0 40 DHAB CCc1cnc(CNC(=O)Nc2cccc([C@H](C)OC)c2)s1 76070314 RNHKSRCTHMFGNE-NSHDSACASA-N 319.430 3.735 0 40 DHAB COc1cccc(C(=O)N[C@@H](C)COc2ccc(Cl)cc2)c1 80345913 LMSRAMQSKHIDER-LBPRGKRZSA-N 319.788 3.546 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F 89355929 YMWBHTYUYCEUIH-UONOGXRCSA-N 315.335 3.719 0 40 DHAB CS[C@@H]1CCC[C@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 89493391 FDHACZBVQMFWSF-VXGBXAGGSA-N 324.412 3.787 0 40 DHAB Cc1cc([C@@H](C)NCCc2nnc3n2CCCCC3)c(C)s1 95419791 WLQSHTAPSAQFNB-CYBMUJFWSA-N 318.490 3.576 0 40 DHAB Cc1ccc2c(c1)[C@@H](N[C@H](c1ccccc1)c1n[nH]c(C)n1)CC2 95421733 AMSPZROQRILBRP-RBUKOAKNSA-N 318.424 3.788 0 40 DHAB C[C@@H](N[C@@H]1COCC[C@]1(O)/C=C/c1ccccc1)c1ccccc1 95951570 SRTUKJZRWWXNMC-QUHVZGFBSA-N 323.436 3.571 0 40 DHAB CC1=CC[C@@H]2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)[C@@H]2C1 100174066 ZZNPGQANDYFMNC-NNKBYLESSA-N 313.441 3.544 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)c1cccc(F)c1 108349555 GECNABCVDDQAIG-DJIMGWMZSA-N 315.344 3.519 0 40 DHAB COc1ccc2[nH]c(C)c(CC(=O)OCc3ccccc3)c2c1 136399841 CIYYFSIPIJCMHH-UHFFFAOYSA-N 309.365 3.771 0 40 DHAB in-vitro CC(C)(C)SCCNC(=O)COc1cccc2ccccc12 218909441 RHSUHWXBEMKSJP-UHFFFAOYSA-N 317.454 3.867 0 40 DHAB CCc1ccc(OCCNC(=S)Nc2ccccc2)cc1 223381058 UUAFVTAFSGDBHX-UHFFFAOYSA-N 300.427 3.614 0 40 DHAB O=Cc1c(Cl)nc(-c2ccccc2)nc1N1CCCCC1 223441759 BJYXQMLEDYENJV-UHFFFAOYSA-N 301.777 3.600 0 40 DHAB O=C(OCc1ccccc1F)c1snnc1-c1ccccc1 223833263 SBCWTCCKBPWFCP-UHFFFAOYSA-N 314.341 3.701 0 40 DHAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(F)c2)cc1 224958350 XAXIHCOKLGOHAO-UHFFFAOYSA-N 315.388 3.976 0 40 DHAB COc1ccc2[nH]c(CN3CCC[C@H](c4[nH]ncc4C)C3)cc2c1 257207030 BGBCRDBDXSWZFO-AWEZNQCLSA-N 324.428 3.588 0 40 DHAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2oc3ccccc3c2C)n1 257300737 RVMTYOYUPUSYOP-CQSZACIVSA-N 309.369 3.750 0 40 DHAB O=C(CSCc1cccc(Cl)c1)N[C@H]1C[C@H]2CC[C@H]1C2 408869331 BXASYGPGRDTMSZ-WHOFXGATSA-N 309.862 3.878 0 40 DHAB COc1c(C)cccc1CNC(=O)c1ccc(C(F)(F)F)cc1 1530195856 HSPHGUIGFCMKBM-UHFFFAOYSA-N 323.314 3.952 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)[C@@H]2CC=CCC2)C1 1888863793 RDKKJXDOASAGFT-OAHLLOKOSA-N 323.440 3.899 0 40 DHAB COc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1 130165 MOWLOOWTJLQAKE-UHFFFAOYSA-N 314.366 3.588 0 40 DHAB Clc1ccccc1[C@H]1C[C@@H](c2ccco2)n2ncnc2N1 350193 MLMQEBHBKVYIKT-OLZOCXBDSA-N 300.749 3.671 0 40 DHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(F)cc1 387920 LGTHCIBTGAMHMK-UHFFFAOYSA-N 321.735 3.893 0 40 DHAB CCCCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1 2296478 FXKHLYRRMHFWST-UHFFFAOYSA-N 308.381 3.737 0 40 DHAB CC(C)Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl 2750056 RULZMHDBJXMDDZ-UHFFFAOYSA-N 317.816 3.986 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccccc2F)c1C 3473237 YGGPFCDGUAKULW-UHFFFAOYSA-N 305.374 3.948 0 40 DHAB CN1O[C@@H](COC(=O)Nc2ccccc2)C[C@@H]1c1ccccc1 5209110 WMPYXEVAXFMACV-IAGOWNOFSA-N 312.369 3.612 0 40 DHAB O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCO2 5628714 XXRNTHICJFENGL-UHFFFAOYSA-N 313.334 3.532 0 40 DHAB O=C(O)/C=C/c1cccc(C(=O)Nc2ccccc2Cl)c1 5679806 GVTDPQDJEJZTGJ-CMDGGOBGSA-N 301.729 3.690 0 40 DHAB O=C(O)CCc1ccc(-c2cccs2)n1-c1ccccc1O 5927322 YLULFJHFTNRUDK-UHFFFAOYSA-N 313.378 3.929 0 40 DHAB CC(C)c1ccccc1OCC(=O)NCc1ccc(F)cc1 6305758 DGICQZQUICJFJE-UHFFFAOYSA-N 301.361 3.644 0 40 DHAB COc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 6897172 KBYAFBOXYKHENM-UHFFFAOYSA-N 316.470 3.950 0 40 DHAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc(C)cs1 7195416 VCRBWCVVVPQLST-WDEREUQCSA-N 324.475 3.738 0 40 DHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)c(F)c1F 7409058 WNCHOZORXNXZPO-UHFFFAOYSA-N 315.316 3.522 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NCC2CCCCC2)cc1 7790381 YEVJNOHOBRSKBS-ZDUSSCGKSA-N 307.459 3.872 0 40 DHAB Cc1nc(C)c(C(=O)Nc2ccccc2Br)s1 7995409 TWVIKWRECAXUHG-UHFFFAOYSA-N 311.204 3.775 0 40 DHAB COC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1C 10329715 VCOPEPOHCOOFKY-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1nc(SCC(=O)OCC(C)C)cc(-c2ccccc2)n1 12016914 BOLHVXVWDADQOJ-UHFFFAOYSA-N 316.426 3.743 0 40 DHAB CC(=O)N1c2ccc(-c3cn4cc(C)ccc4n3)cc2C[C@@H]1C 12088208 OIBUCPMHYIRHPO-ZDUSSCGKSA-N 305.381 3.607 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC(c2cc3cccnc3[nH]2)CC1 12337514 PQRIDIWMYBSJRK-UHFFFAOYSA-N 323.371 3.722 0 40 DHAB COC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3F)c12 12397123 YXHVQKWSKOVMLN-UHFFFAOYSA-N 312.300 3.693 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)Nc3cc(C)on3)ccc2c1 12822307 LMETVQVQLGQDAI-GFCCVEGCSA-N 310.353 3.887 0 40 DHAB CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3ccccc3)cs2)c1 14108760 JZWMMBNFVMWMBF-UHFFFAOYSA-N 311.366 3.593 0 40 DHAB O=C(Nc1ccc2nsnc2c1)C12CC3CC(CC(C3)C1)C2 15841330 YQFSRAZZWDMDFI-UHFFFAOYSA-N 313.426 3.846 0 40 DHAB COc1ccc2c(c1)O[C@H](C)C/C2=C\CC1(C)C(=O)CCC1=O 16608291 XOHQEBSXZVYUAN-FMNNIJNLSA-N 314.381 3.578 0 40 DHAB COc1cc(OC)c(C(=O)OC2C[C@@H](C)C[C@@H](C)C2)cc1OC 17154515 AGHLLFVFFAIZDA-FUNVUKJBSA-N 322.401 3.694 0 40 DHAB O=C(NCCc1cccc(F)c1)c1ccccc1C(F)(F)F 18136672 HVLLZMUDJJQETQ-UHFFFAOYSA-N 311.278 3.817 0 40 DHAB C[C@@H](Cc1ccccc1)NN1CCO[C@@H](c2ccccc2)[C@H]1C 19170573 KBRSLPYGHGQKNS-SQGPQFPESA-N 310.441 3.584 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc(N)cc2Cl)c1C 20344423 FUIZXKMZMJSTQJ-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(Br)cc2N)c1 20520920 LQKIIAOBNBYBGN-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CCn1cc(Cl)c(C(=O)Nc2cc(C)nc3ccccc23)n1 28222923 NLKGGWVVEXTVFO-UHFFFAOYSA-N 314.776 3.665 0 40 DHAB O=C(c1ccc(COc2ccc(F)cc2Cl)o1)N1CCCC1 28227496 QWSYRMYWNBQOAI-UHFFFAOYSA-N 323.751 3.887 0 40 DHAB CCN(C(=O)c1cc2ccc(OC)cc2[nH]1)C1CCCCC1 30475904 HTTPZAPMUSSQKL-UHFFFAOYSA-N 300.402 3.971 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2cccc3ccccc23)C1 36391747 HFXCITHPWPIGGI-NUJGCVRESA-N 313.441 3.557 0 40 DHAB CCc1ccc(CNC(=O)c2coc(Br)c2)s1 36394025 FKHCVCIXNCVISI-UHFFFAOYSA-N 314.204 3.596 0 40 DHAB COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1 36395042 YSNQTMWOQOYGNI-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1 36694973 KTKUIVVYTSVNHS-UHFFFAOYSA-N 314.360 3.680 0 40 DHAB CCCSc1nnc(NC(=O)CCc2ccc(C)cc2)s1 41018736 NELVZRWVSKPUMH-UHFFFAOYSA-N 321.471 3.920 0 40 DHAB Cc1nnc(NC(=O)N[C@H](c2cccs2)C2CCCC2)s1 43406786 SLEMYFUUDGWLAB-LBPRGKRZSA-N 322.459 3.961 0 40 DHAB CCCc1nc(NCC2CCCC2)c2c(n1)c(C)nn2CC 57355827 QLYZQTCROQYFTJ-UHFFFAOYSA-N 301.438 3.709 0 40 DHAB Cc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)[nH]n2)cc1C 57510972 SMPHQYPVJZGWLK-UHFFFAOYSA-N 317.352 3.806 0 40 DHAB C[C@@]1(CCc2ccccc2)NC(=O)c2cc(Cl)ccc2N1 58174682 NMBROIZILXHULQ-KRWDZBQOSA-N 300.789 3.844 0 40 DHAB O[C@@H](Cn1cnc2ccccc21)c1ccc(Br)cc1 62702425 NNDIRWULOGEOCL-HNNXBMFYSA-N 317.186 3.532 0 40 DHAB Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1nccs1 69582019 BOKXIGUVXDFTRI-UHFFFAOYSA-N 315.423 3.852 0 40 DHAB C[C@H](Sc1cccs1)C(=O)N1CCc2sccc2C1 71910000 FAHZWWQQPSJAJP-JTQLQIEISA-N 309.481 3.875 0 40 DHAB CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2nccs2)[nH]n1 72285937 JQWLXAJIMFNNSN-GFCCVEGCSA-N 318.446 3.531 0 40 DHAB CC[C@@](C)(CCCNC(=O)Nc1cccc(F)c1)C1OCCO1 72306200 LKNQGICVROTBRX-KRWDZBQOSA-N 324.396 3.517 0 40 DHAB Cc1cc2cc(CNc3ccc(O)cc3C)c(=O)[nH]c2cc1C 72396059 RHOMEPQLRXXAPX-UHFFFAOYSA-N 308.381 3.771 0 40 DHAB O=C(CCn1cccc1)Nc1nc(-c2cccs2)cs1 73488447 BQGKFMQOGFMYGK-UHFFFAOYSA-N 303.412 3.702 0 40 DHAB Cc1nnc2ccc(N[C@H](C)c3ccccc3C(F)(F)F)nn12 78931228 PEBMQKAJERNVLW-SECBINFHSA-N 321.306 3.625 0 40 DHAB O=C(Nc1ccc(CNc2ccccc2)cc1)[C@H]1CCCOC1 95407009 YVIGKYXERGIRIY-INIZCTEOSA-N 310.397 3.664 0 40 DHAB C[C@H](CNC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccsc1 95426212 BKYVSDNIXIYOQQ-HIFRSBDPSA-N 322.474 3.643 0 40 DHAB CC[C@@](CNC(=O)c1c(F)cccc1F)(OC)c1ccccc1 96123696 RKKYALPNKLVVIK-SFHVURJKSA-N 319.351 3.647 0 40 DHAB CCO/C(C)=C/c1nc2ccccc2c(=O)n1Cc1ccccc1 96180958 DMMWAEYPVAAYDL-FYWRMAATSA-N 320.392 3.842 0 40 DHAB Cc1nc(CN2CCC(c3c[nH]c4ncccc34)CC2)oc1C 96424350 CDKKZGOHBBFPNO-UHFFFAOYSA-N 310.401 3.547 0 40 DHAB Cc1cccc(-c2cc(Oc3ccc(C(=O)O)cc3)ncn2)c1 96531099 ODDQKELPBXKBTE-UHFFFAOYSA-N 306.321 3.943 0 40 DHAB C[C@H](C(=O)N(Cc1ccccn1)c1ccncc1)c1ccccc1 97100918 OKTLOGAPQMDXFM-INIZCTEOSA-N 317.392 3.814 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CNC(=S)Nc1ccccc1 100363288 VTDKMGFGTDCAQQ-GLJUWKHASA-N 316.470 3.614 0 40 DHAB CC1(C)CCCC(C)(C)N1C[C@H](O)COC[C@@H]1C[C@@H]2CC[C@@H]1C2 101244194 CDWNVYOEAWOXCA-BDXSIMOUSA-N 323.521 3.843 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 105757859 CKDOXQLTSQDWES-AYMQEEERSA-N 309.413 3.663 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 169682311 CZORMLIIFXZLBC-XRGAULLZSA-N 313.784 3.598 0 40 DHAB Nc1cc(Br)ccc1-c1cc2ccccc2oc1=O 216937585 AYFORPWCECRKLG-UHFFFAOYSA-N 316.154 3.805 0 40 DHAB COc1ccc(CCC(=O)NCCC2=CCCCC2)cc1C 225494541 ORKJNDCAWXVYTF-UHFFFAOYSA-N 301.430 3.943 0 40 DHAB COCCC1(NC(=S)Nc2ccc(F)c(F)c2)CCCC1 225860752 VSCXFVIUCWLKNZ-UHFFFAOYSA-N 314.401 3.601 0 40 DHAB CCOC(=O)CCCC(=O)c1cccc(F)c1C(F)(F)F 575361200 URGBCQRQWNCITA-UHFFFAOYSA-N 306.255 3.761 0 40 DHAB CC(C)c1cccc2sc(N3CC(Cn4ccnc4)C3)nc12 1889186300 OBAFNUBKBPUWDM-UHFFFAOYSA-N 312.442 3.753 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 140325 KONSOSSLUBJREG-LSDHHAIUSA-N 303.402 3.948 0 40 DHAB CCOc1ccc2[nH]c3c(N4CCC(C)CC4)ncnc3c2c1 536718 HDIZBGNWTLQCMJ-UHFFFAOYSA-N 310.401 3.746 0 40 DHAB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1C=O 566601 SMWBUBQBXRQMMC-UHFFFAOYSA-N 316.338 3.517 0 40 DHAB CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 1389676 DYLGMGPCUOOGIX-UHFFFAOYSA-N 311.772 3.552 0 40 DHAB C[C@@H](Cc1ccccc1)NCCCN[C@@H](C)Cc1ccccc1 3058772 XDCNUKURGSLYKZ-OALUTQOASA-N 310.485 3.818 0 40 DHAB CCOc1ccccc1OCCCC(=O)Nc1nc(C)cs1 3561980 YRRNDAACZZNMKG-UHFFFAOYSA-N 320.414 3.648 0 40 DHAB CSc1ccc(Cn2nnc(-c3cccc(Cl)c3)n2)cc1 5088683 MFQMTYQOGYNGFW-UHFFFAOYSA-N 316.817 3.764 0 40 DHAB COc1cc(NC(=S)Nc2ccccc2F)cc(OC)c1 6274833 HQCDRPGFLYAIIL-UHFFFAOYSA-N 306.362 3.652 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C)s2)cc1 7408411 LFICNEFMTSEWJE-UHFFFAOYSA-N 316.426 3.791 0 40 DHAB C[C@@H](NC(=O)COc1cccc(F)c1)c1cc2ccccc2o1 7885473 OAQXCZVOBFJVFG-GFCCVEGCSA-N 313.328 3.828 0 40 DHAB COc1cccc2cc(C(=O)Nc3onc4c3CCCC4)oc12 8976712 FFKQVJOCOQDKTP-UHFFFAOYSA-N 312.325 3.561 0 40 DHAB COc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 9726514 DBNLCECAQDKBRP-OAHLLOKOSA-N 317.385 3.801 0 40 DHAB CCn1c(=O)n(Cc2ccc(F)cc2Cl)c2ccccc21 10236650 GBWFOJXUYUMVCJ-UHFFFAOYSA-N 304.752 3.664 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc(F)cc3)c(C)nc2c1 11595519 YZCOMZDQQFZMFS-UHFFFAOYSA-N 310.328 3.943 0 40 DHAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccccc3)cnc21 11763291 LGGORRZBHZIEBZ-CYBMUJFWSA-N 308.385 3.503 0 40 DHAB COc1ccc(-n2nc(C(=O)O)cc2-c2cc(C)ccc2C)cc1 11801742 SSQCBXMDOAOZFL-UHFFFAOYSA-N 322.364 3.863 0 40 DHAB COc1ccc(C(=O)Nc2ccc(SC)cc2)c(OC)c1 12038500 HQQGOPSQGZMSAE-UHFFFAOYSA-N 303.383 3.678 0 40 DHAB CCn1c(CN2CCn3cccc3[C@@H]2C(C)C)cnc1SC 12143738 KJTSMMFBLHWJJJ-INIZCTEOSA-N 318.490 3.639 0 40 DHAB Cc1nn2c(-c3cccc(N)c3)ccnc2c1-c1ccccc1 12396186 NJZULBXMGDVDKR-UHFFFAOYSA-N 300.365 3.954 0 40 DHAB CSc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1 12604046 ZSRFKJVNBYCYPX-UHFFFAOYSA-N 311.410 3.705 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)NCc2ccccc2F)cc1 12751646 YZRJUWZJQXKJHQ-CYBMUJFWSA-N 316.376 3.785 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N[C@@H]2CCc3ccccc32)c1 12800136 PCEZIOZPRRVHHG-MRXNPFEDSA-N 315.800 3.831 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1ccccc1F)O[C@H](C)C2 12982273 NMEPNTSPFBLNNH-LLVKDONJSA-N 315.344 3.800 0 40 DHAB COc1ccc([C@@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 13131450 FKGAZANKFJFJLQ-ROUUACIJSA-N 320.396 3.741 0 40 DHAB aggregator CCOc1ccc(CNC(=O)CSCc2ccccc2)cc1 13673534 VMYFABHLRWVPKE-UHFFFAOYSA-N 315.438 3.635 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Nc2cc(F)ccc2C)c(C)c1 13948443 ILUQERHLVLMQJO-UHFFFAOYSA-N 307.390 3.860 0 40 DHAB C[C@@H]1NC(=S)N(c2ccc(-c3cc4ccccc4o3)cc2)C1=O 15569983 PVEONCQFHFZNPN-NSHDSACASA-N 322.389 3.709 0 40 DHAB CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1F 19440898 IPYZFXBDNZKEMY-UHFFFAOYSA-N 322.177 3.860 0 40 DHAB Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@@H]2CCCNC2)n1 19570361 VRHISVOPAITEAI-OAHLLOKOSA-N 311.429 3.715 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1 20107382 MEFPEBJYJXKFGW-QGZVFWFLSA-N 301.361 3.642 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)Nc2cc(C(C)(C)C)on2)c1 20357283 CEHNPBMOUDZDTB-UHFFFAOYSA-N 322.792 3.951 0 40 DHAB Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3)n2)cc1 20888979 ZOKCBVBCNDDLNJ-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB Cc1ccc(OCc2nnc(S)n2-c2cccc(C)c2)cc1 26439409 LMAFGHDBCHMTBB-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB Cc1cc(C)c2c(C)c(C(=O)N[C@H](C)[C@@H]3CCCO3)sc2n1 27885540 VJHJZKQMFWMFIT-OLZOCXBDSA-N 318.442 3.519 0 40 DHAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)nc1 30556771 JQJGPUSQVKIMOH-UHFFFAOYSA-N 318.380 3.705 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)NCC1(c2ccccc2)CC1 32907657 ZNKIFERMANFGQC-UHFFFAOYSA-N 320.436 3.749 0 40 DHAB COC(=O)c1c(CCc2c[nH]c3ccccc23)cccc1OC 35973557 CKXVIMZZSZGQMU-UHFFFAOYSA-N 309.365 3.748 0 40 DHAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)[C@@H]1CCCO1 41134433 NRASYENPRNQCJM-ZFWWWQNUSA-N 321.829 3.786 0 40 DHAB O=C(CCc1csc(-c2ccccn2)n1)Nc1ccccc1 41182627 ZAQANJNJMHPXFQ-UHFFFAOYSA-N 309.394 3.776 0 40 DHAB CC(C)CNC(=O)c1ccc(SCc2cscn2)cc1 44906673 FNTKUFYFJUHDSN-UHFFFAOYSA-N 306.456 3.821 0 40 DHAB Cc1ccsc1CN(CCCO)Cc1ccc(F)c(F)c1 57822648 VQHZPDBZKQJAMC-UHFFFAOYSA-N 311.397 3.719 0 40 DHAB O=[S@](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1 58132335 VYGOSUGELCVHKB-NRFANRHFSA-N 310.365 3.683 0 40 DHAB Cc1ccccc1NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63808953 PGZVJRJNYNBRKD-UHFFFAOYSA-N 311.366 3.559 0 40 DHAB COc1ccc([C@H]2CCCN2Cc2nnc(SC)s2)cc1 65474621 OJDWVDRVGDSHFR-CYBMUJFWSA-N 321.471 3.606 0 40 DHAB CCCCN(C)CC1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 66960604 BZPJZABACCAUGE-HNNXBMFYSA-N 322.497 3.698 0 40 DHAB Cc1noc([C@H](C)Sc2nnc(-c3sccc3C)o2)n1 69562223 JLOFKADBEQHSBB-ZETCQYMHSA-N 308.388 3.651 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(Cl)c1 69808416 HSSRBVDLWLGQTB-QKVFXAPYSA-N 321.829 3.616 0 40 DHAB C[C@H]1C[C@H](C)n2nccc2N1C(=O)c1cc2cc(F)ccc2o1 71910371 AJLZHYJPVVEBBB-QWRGUYRKSA-N 313.332 3.768 0 40 DHAB Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccccc1Cl 72286765 JWMQEEHCVJSCLC-OAQYLSRUSA-N 321.829 3.779 0 40 DHAB CCO[C@H](CCNC(=O)c1csc(-c2ccoc2)n1)C(C)C 74294019 XTEQXKKJSHUCLI-CQSZACIVSA-N 322.430 3.584 0 40 DHAB Cc1nc(-c2ccc(S(=O)(=O)Nc3ccsc3)cc2)co1 76059522 FRXRYEKHACKYSI-UHFFFAOYSA-N 320.395 3.512 0 40 DHAB C[C@@H]1C[C@H](NC(=O)C=C(C2CC2)C2CC2)CN1c1ccccc1 81192925 ULZFZGXERKRIAG-PBHICJAKSA-N 310.441 3.516 0 40 DHAB CCN1CC[C@H](N(C)C(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 84779991 GZAAAPYZNNNXMH-SJORKVTESA-N 317.477 3.806 0 40 DHAB Cc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1 85651626 KQPXKFXIQRJOHX-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB O=C(O)CO[C@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F 95096400 SDHZUCHJDTVHGE-SECBINFHSA-N 303.063 3.698 0 40 DHAB C[C@H](CSc1nncn1C1CC1)C(=O)c1ccc(F)c(F)c1 96006600 HSKVHSYXUZYWNO-SECBINFHSA-N 323.368 3.502 0 40 DHAB CN(Cc1ccco1)[C@H]1CCC12CCN(Cc1ccco1)CC2 96051545 BOSOMMKZXZCNGS-SFHVURJKSA-N 314.429 3.749 0 40 DHAB O=C(NC1(c2nccs2)CCCC1)c1ccc2cc[nH]c2c1 96407320 SYQMFDHHNFXZHX-UHFFFAOYSA-N 311.410 3.824 0 40 DHAB C[C@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)c2ccccc2N1 96423999 SXPLEZZMEPWGKL-GOEBONIOSA-N 322.408 3.790 0 40 DHAB CN(Cc1nccn1C)C(=O)Nc1ccc(-c2ccccc2)cc1 96484844 XOJGDRIPNUWCCW-UHFFFAOYSA-N 320.396 3.751 0 40 DHAB COc1ccc(C2=C[C@H](c3ccc(C)cc3)N3NN=NC3=N2)cc1 100589800 FJQYKMPHCPKIQF-QGZVFWFLSA-N 319.368 3.643 0 40 DHAB Cc1cc(C)nc(Nc2cccc(C(=O)NCCC(C)C)c2)n1 170580102 PZMBCLSMJYMPRC-UHFFFAOYSA-N 312.417 3.613 0 40 DHAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccoc1 218563973 JTPFABIIPUDRSA-UHFFFAOYSA-N 309.350 3.908 0 40 DHAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1ccco1 222949286 MTMCVWGFPZQEGF-VIFPVBQESA-N 306.159 3.634 0 40 DHAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CCCC1 223105365 WNVHVIXBSOJTJI-UHFFFAOYSA-N 319.792 3.539 0 40 DHAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1 225122903 UUNMIEUDTNDJEW-UHFFFAOYSA-N 301.820 3.617 0 40 DHAB C[C@@H](CNC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 225134614 RZTSIQDYNSGGJT-LBPRGKRZSA-N 305.780 3.942 0 40 DHAB CCNC(=O)c1ccc(Nc2ccc(Cl)cc2C)c(N)c1 225426022 NJSHWJGHNWEWQU-UHFFFAOYSA-N 303.793 3.724 0 40 DHAB CCc1nc2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2n1C 225894698 BZIWFAJVEOZWTQ-CYBMUJFWSA-N 319.408 3.727 0 40 DHAB CCOc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 226036833 ONWREOKTIPOQAP-UHFFFAOYSA-N 323.348 3.752 0 40 DHAB CCOC(=O)c1cc(-n2cccc2)ccc1N1CCC(C)CC1 226277517 RYHOQURNOGCTLB-UHFFFAOYSA-N 312.413 3.890 0 40 DHAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cccs3)C2)cn1 257226208 FJQIPHUQUDSWBE-OAHLLOKOSA-N 300.427 3.546 0 40 DHAB CSc1cccc(NC(=S)NC(=O)c2ccccc2F)c1 408595034 KANZRPWPCQSXJQ-UHFFFAOYSA-N 320.414 3.674 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 409205800 FUGYWXLSDHZBIY-UHFFFAOYSA-N 321.207 3.948 0 40 DHAB COc1ccccc1NC(=O)c1ccccc1Br 39375 XLUMQWGJUHBUQW-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCC3)cc12 67116 KUBOMIQTCVJHFW-UHFFFAOYSA-N 311.410 3.631 0 40 DHAB CCN(CC)CCNc1ncnc2sc3c(c12)CC[C@H](C)C3 84801 HFECVZFVUCMTIY-LBPRGKRZSA-N 318.490 3.570 0 40 DHAB Cn1c(SCc2ccccc2)nc2c([nH]c3ccccc32)c1=O 213987 OJTFXQXAGARZQQ-UHFFFAOYSA-N 321.405 3.707 0 40 DHAB COc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1 819156 MHKNBNGLLDVYGB-UHFFFAOYSA-N 323.396 3.716 0 40 DHAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2 1369954 GVPMEJDOHTYMEW-IRXDYDNUSA-N 320.864 3.865 0 40 DHAB CCOC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2 1574383 OFTZNBFUSSHAMR-UHFFFAOYSA-N 310.353 3.785 0 40 DHAB S=c1sc2c(S)nc(S)nc2n1-c1ccccc1 1632220 LHPBLARKAFXYFQ-UHFFFAOYSA-N 309.466 3.789 0 40 DHAB COCCn1c(-c2ccccc2C)nc2nc3ccccc3nc21 2414776 RAYXJZLHJBIILL-UHFFFAOYSA-N 318.380 3.601 0 40 DHAB O=C(c1cccc(CN2CCCC2)c1)c1ccc(F)c(F)c1 2515090 VUJFQCQPVIYONV-UHFFFAOYSA-N 301.336 3.792 0 40 DHAB COc1ccc(C(=O)OCC(=O)c2c(C)cc(C)cc2C)cc1 3330070 YZBCFDKIKGKRKM-UHFFFAOYSA-N 312.365 3.660 0 40 DHAB O=C(CSc1ccccc1)Nc1nnc(-c2cccs2)o1 4496685 VZSULRXUPZFZPF-UHFFFAOYSA-N 317.395 3.529 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2nccnc2c1 4705224 PMZIZYGFIXGZPF-LBPRGKRZSA-N 304.353 3.613 0 40 DHAB C[C@H]1CC[C@H]([C@](O)(C(=O)c2ccccc2)c2ccccc2)C(=O)C1 5339614 GXTBEGWKZYADOA-XERREHJYSA-N 322.404 3.762 0 40 DHAB CC(C)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 5906075 RHTLBXMYBWDBOO-JTQLQIEISA-N 322.474 3.593 0 40 DHAB CCC[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 5937678 LXNLVPXWKKPVIT-INIZCTEOSA-N 311.381 3.615 0 40 DHAB Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1F 5959979 SWNNXGAYVLVPHG-UHFFFAOYSA-N 310.731 3.977 0 40 DHAB CCOc1ccc2nc(SCC(=O)NC(C)(C)C)sc2c1 6617675 JVAZQMIUCDQQPL-UHFFFAOYSA-N 324.471 3.702 0 40 DHAB Cc1ccc2cc3c(NC(=O)c4ccccc4)nn(C)c3nc2c1 6785520 ZPRMUQRXRCHIOX-UHFFFAOYSA-N 316.364 3.682 0 40 DHAB CCCCC[C@H](C)NC[C@@H](O)COCc1ccccc1Cl 6940268 LFWAWRNAGYWOIA-GOEBONIOSA-N 313.869 3.776 0 40 DHAB Cc1ccc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 7071488 FRORLYKCYNXJKB-FMIVXFBMSA-N 303.365 3.833 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 7842512 FTRLDFBZNKWZQJ-UHFFFAOYSA-N 323.314 3.823 0 40 DHAB COc1cccc(CCC(=O)Nc2ccc(C)cc2C)c1OC 8272456 UKFVNGOJZDCONR-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB CCOc1cccc(NC(=O)CSCc2ccccc2)c1 10294086 BWKXHMRHFIIZSD-UHFFFAOYSA-N 301.411 3.957 0 40 DHAB O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1ccncc1 11858629 WLZRNHMHVZIGLZ-OWOJBTEDSA-N 302.333 3.866 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)Sc2cc(C)nc(C)n2)c(C)c1 12016737 DLDGFOAFVJKHJL-CYBMUJFWSA-N 315.442 3.830 0 40 DHAB COCc1ccccc1CNC(=O)NCCC1=CCCCC1 12984903 NAOFYFCWGKERFG-UHFFFAOYSA-N 302.418 3.523 0 40 DHAB O=c1nc(-c2ccccn2)[nH]c2sc(-c3ccccc3)cc12 13598452 IKCQYPIFZFLJAS-UHFFFAOYSA-N 305.362 3.714 0 40 DHAB Cc1ccc(C2=NN=C(N3CCCCC3)[C@H]3C=CC=C[C@@H]23)cc1 16711635 LMRZANAIQNLWBF-MSOLQXFVSA-N 305.425 3.956 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 17289098 ZLFHYPDWBSSJLU-UHFFFAOYSA-N 322.408 3.855 0 40 DHAB O=C(CCc1ccsc1)Nc1ccnn1Cc1ccccc1 21908388 GYAYTHXGFUSOGE-UHFFFAOYSA-N 311.410 3.564 0 40 DHAB O=C(N[C@H]1CCOc2ccccc21)c1cc2c(s1)CCCC2 24646463 HVENXDMDYWMLOK-AWEZNQCLSA-N 313.422 3.881 0 40 DHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cccc(F)c2)n1 25015042 YOCPSYRZGIADMN-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB COc1ccc(SCC(=O)N2CCCc3ccccc32)cc1 30862735 SXHMJJWBRLBQBD-UHFFFAOYSA-N 313.422 3.767 0 40 DHAB Nc1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 35697075 FLTNNLFMXOEDFT-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB COc1cccc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1OC 36386113 MSANAUHGEBQFEO-IIAWOOMASA-N 319.445 3.577 0 40 DHAB CCc1ccc(N[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 36635475 GLUNWSRFSXAWMW-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)s1 40074649 MRLUSWTWBNCISH-JTQLQIEISA-N 308.834 3.959 0 40 DHAB CC1CCN(CCCNC(=O)CCc2ccc(Cl)cc2)CC1 41997409 JDTCGCZVWUNAPA-UHFFFAOYSA-N 322.880 3.511 0 40 DHAB CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[C@H]2C(=O)O)CC1 44135625 SWYPSOKKQZJXEP-ZIAGYGMSSA-N 311.422 3.525 0 40 DHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)NCc1ccccc1 48344257 SQRAKSOMHWHHOH-CQSZACIVSA-N 319.408 3.997 0 40 DHAB Cc1cc(=O)oc2cc(OCc3ncc(C(C)(C)C)o3)ccc12 48367662 ZFDLASLGSYRZNP-UHFFFAOYSA-N 313.353 3.966 0 40 DHAB c1cc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)ccn1 49169561 LKQLCROLDZTHIH-INIZCTEOSA-N 312.417 3.501 0 40 DHAB biogenic,in-vitro O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(Cl)ccc1F 54252619 CNPPBDFRYYTGRT-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB Cc1ccccc1NCCC(=O)Nc1nc(C2CC2)cs1 56136633 JYOOKBBDQTWOAX-UHFFFAOYSA-N 301.415 3.770 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C)c(N)c1 57340400 FUGRKVDEHUAPOW-UHFFFAOYSA-N 306.365 3.991 0 40 DHAB CCOC(=O)CCCN1CCC[C@H]1c1ccc(OCC)cc1 57626559 MXKMBOKOUCGVTP-KRWDZBQOSA-N 305.418 3.566 0 40 DHAB Cc1nc(C2(NC(=O)Nc3cccc(Cl)c3)CCCC2)no1 65530863 UPBCESWHQBDSRP-UHFFFAOYSA-N 320.780 3.622 0 40 DHAB COc1ccccc1NC(=O)CCN1CC[C@H](c2ccccc2)C1 69696988 NQZOOSQWDKAVMS-KRWDZBQOSA-N 324.424 3.513 0 40 DHAB Cc1noc([C@@H](C)Nc2ccc(N3CCCCCC3)cc2)n1 70040615 YALQDVNDYVHOQZ-CYBMUJFWSA-N 300.406 3.932 0 40 DHAB CN(C(=O)c1ccc(NCc2ccccc2)cc1)C1CCOCC1 79020281 KTOCMQCOGHNAIU-UHFFFAOYSA-N 324.424 3.550 0 40 DHAB COCc1c(Cl)cccc1NC(=O)[C@@H]1C[C@H]1c1ccco1 89420298 VTCOKHMRVUOUKP-GHMZBOCLSA-N 305.761 3.822 0 40 DHAB CCc1cnc(CSCc2cc(F)cc3c2OCOC3)o1 95414556 COHSZEFDTJSESU-UHFFFAOYSA-N 309.362 3.676 0 40 DHAB CCSc1ccccc1OCc1nc(-c2ccncc2)no1 95438631 UXWNJOBFZWZORQ-UHFFFAOYSA-N 313.382 3.823 0 40 DHAB Cc1cccnc1CN[C@H](C)c1ccc(F)cc1OC(F)F 95967779 FVVMMPKAWVUGMG-LLVKDONJSA-N 310.319 3.981 0 40 DHAB CC1(C)CCC[C@H](CNc2ccccc2CS(C)(=O)=O)C1 95973170 PSWCZGJRPJHLJE-AWEZNQCLSA-N 309.475 3.860 0 40 DHAB O=C(O)CCCCCCCNC(=O)CCCc1cccs1 95991946 GXDCWRCAUPRPOT-UHFFFAOYSA-N 311.447 3.612 0 40 DHAB OC[C@H]1CC[C@H](N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 101693316 GMMCFLBYXLATLO-UXLLHSPISA-N 301.430 3.574 0 40 DHAB O=C(Nc1cccc(Oc2ncccn2)c1)[C@@H]1C[C@@H]2CC[C@H]1C2 105879446 SQXNLBGCFGNIQG-DVOMOZLQSA-N 309.369 3.644 0 40 DHAB O=C(O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 110074438 DJSJSRXVVWOFJA-UHFFFAOYSA-N 324.267 3.987 0 40 DHAB NC12C[C@H]3C[C@@H](C1)CC(C14C[C@H]5C[C@@H](CC(N)(C5)C1)C4)(C3)C2 115968334 SOKRCBPOBAYQBS-UKJOCHSDSA-N 300.490 3.582 0 40 DHAB Cc1ccc(Nc2ccc(NC(=S)NC(C)C)cn2)cc1 223876047 GRZRAJJBAZZQSQ-UHFFFAOYSA-N 300.431 3.828 0 40 DHAB CCOc1ccc(CNC(=S)Nc2cccc(C)c2)cc1 225428905 OCQBSXULAXHUNZ-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB COc1cccc2c1N([C@H](C(=O)O)C(C)C)C(C)(C)C=C2C 260616355 JCADPWRKIPQAIB-HNNXBMFYSA-N 303.402 3.806 0 40 DHAB CCOc1ccccc1-c1nnc(Sc2ccc(C=O)o2)o1 408556995 MGZIOYYROOZIMR-UHFFFAOYSA-N 316.338 3.692 0 40 DHAB Cc1ccc(NC(=S)Nc2ccc3snnc3c2)cc1 409000267 YCOCFQOFFQEVLF-UHFFFAOYSA-N 300.412 3.809 0 40 DHAB Cc1oc2ccccc2c1CNC(=O)c1ocnc1C(F)F 1537900569 FYWHIAVIENHOHQ-UHFFFAOYSA-N 306.268 3.597 0 40 DHAB C[C@@H](Cc1csc2ccccc12)Nc1ncnc2c1ncn2C 1888913416 UUDKOXXKSSJNBR-NSHDSACASA-N 323.425 3.621 0 40 DHAB CC(C)c1ccc(NC(=O)Cn2cnc(Cl)c2Cl)cc1 161040 GTJJCWXFNLCPFH-UHFFFAOYSA-N 312.200 3.952 0 40 DHAB CN(C)c1ccc([C@@H]2OCC[C@]3(CCOC(C)(C)C3)O2)cc1 517744 RNXCDKJGMRCTGF-SJLPKXTDSA-N 305.418 3.516 0 40 DHAB biogenic CC(C)(C)NC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21 817613 MOLZVRIHRNDGSC-UHFFFAOYSA-N 314.429 3.785 0 40 DHAB COc1cc(NC(=O)OCc2ccccc2)c2ncccc2c1 1685364 CVOADEMTUUMGOT-UHFFFAOYSA-N 308.337 3.992 0 40 DHAB COc1cccc(CNC(=O)Cc2cccc3ccccc23)c1 2624475 BDEHSOGJSMXTHI-UHFFFAOYSA-N 305.377 3.707 0 40 DHAB O=C(CSc1ccc(Cl)cc1)NCc1ccccc1F 2635628 ZFFBVFAOAYSWFY-UHFFFAOYSA-N 309.793 3.888 0 40 DHAB O=C1CCCC[C@@H]1Sc1nnc(Nc2ccccc2)s1 2726601 HIXVZXNMILREBT-LBPRGKRZSA-N 305.428 3.886 0 40 DHAB CCOc1ccc(OCc2cccc(C(=O)NC(C)C)c2)cc1 2750647 KEWFZIIXAHEWAF-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB COc1cc2ccccc2cc1C(=O)NCc1ccccc1F 3403583 NZUGRBNTUCLFBM-UHFFFAOYSA-N 309.340 3.918 0 40 DHAB Cc1ccccc1CN(C)CC(=O)N[C@H](C)CCc1ccccc1 3420062 QUTGYUVIYIAMNX-GOSISDBHSA-N 324.468 3.564 0 40 DHAB O=C(Nc1nnc(-c2ccccc2Cl)o1)C1CCCCC1 4275913 BIMNWGYMQFOBIP-UHFFFAOYSA-N 305.765 3.909 0 40 DHAB Cc1c(C(=O)OCc2ccc3c(c2)OCO3)oc2ccccc12 4581865 DZWWGOXYFVQESI-UHFFFAOYSA-N 310.305 3.827 0 40 DHAB CCN(CC)CCC[C@H](C)NC(=O)Nc1c[nH]c2ccccc12 5299866 HBNQHDFVUDBCCV-AWEZNQCLSA-N 316.449 3.800 0 40 DHAB Cc1cccc(C(=O)Nc2ccc3c(c2)N2CCN=C2S3)c1 5615130 DTAQTQPZYHDCGZ-UHFFFAOYSA-N 309.394 3.529 0 40 DHAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccccc1 6061152 XPLHQUUKWXTRHA-UKTHLTGXSA-N 301.392 3.985 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 6363679 ZHGBDVPQDXABAK-MOPGFXCFSA-N 313.397 3.613 0 40 DHAB COc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C)cc1 7983302 GELMNQBKFBOXDT-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB O=C(Nc1cccc(Cl)c1F)c1cc2ccccc2oc1=O 8015192 QNJDAEWQCZOUPB-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB CCc1c(C)nc2sc3cc(Br)ccc3[n+]2c1C 11692179 BZZNTXNEULELPB-UHFFFAOYSA-N 322.251 3.977 0 40 DHAB COc1cccc(C(=O)Nc2ccc([C@]3(C)CC=NO3)cc2)c1 12854890 JCRPEVQPUANURY-SFHVURJKSA-N 310.353 3.569 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)Cc1c[nH]c2ccccc12 12869908 KBALFYGKKZGBNX-UHFFFAOYSA-N 304.393 3.998 0 40 DHAB COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cn1 16234424 WZGYOTUCSNIMMS-UHFFFAOYSA-N 316.360 3.914 0 40 DHAB COc1cccc(Oc2cncnc2-c2ccc(OC)cc2O)c1 18042477 VBOJOFAQHWGARZ-UHFFFAOYSA-N 324.336 3.659 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20025414 FSQDOZGKMDZZHL-GFCCVEGCSA-N 301.411 3.908 0 40 DHAB C[n+]1c(SCC(=O)c2ccccc2)sc2ccccc21 20293485 VMZSSWDVNBOYGA-UHFFFAOYSA-N 300.428 3.701 0 40 DHAB COc1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1OC 22006503 TYNWQENQKZPLPV-CJNGLKHVSA-N 303.402 3.881 0 40 DHAB O=C(OCc1cc(-c2ccccc2)no1)c1cc(Cl)c[nH]1 22133024 VYUCHHNZFVMFLO-UHFFFAOYSA-N 302.717 3.680 0 40 DHAB CC(=O)c1ccc(NC(=O)CCN2CCCc3ccccc32)cc1 22197391 VTRWJPUHASUBLI-UHFFFAOYSA-N 322.408 3.671 0 40 DHAB O=C(c1cnc2ccccc2n1)N1CCC[C@H]1c1ccccc1 22551884 LEBYCTKNXIWWPL-SFHVURJKSA-N 303.365 3.607 0 40 DHAB O=C(Cc1cccs1)Nc1nc2c(s1)Cc1ccccc1-2 22673053 VJKIVQAVTAZPMV-UHFFFAOYSA-N 312.419 3.957 0 40 DHAB Cc1nc(-c2cccs2)sc1C(=O)OCc1ccccn1 23038029 ZDIOBIJMYLBYQU-UHFFFAOYSA-N 316.407 3.932 0 40 DHAB Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccccc2)c1 24761665 RBVWKWWFVYUWQN-UHFFFAOYSA-N 311.429 3.591 0 40 DHAB CCn1nccc1CNC(=O)c1ccc(-c2ccccc2)cc1 28219515 LXCBWTJKHUKKTL-UHFFFAOYSA-N 305.381 3.500 0 40 DHAB Cc1[nH]c2ccc(C(=O)N3CCn4cccc4[C@H]3C)cc2c1C 29378149 WBMFRWPNWXKTEC-CQSZACIVSA-N 307.397 3.803 0 40 DHAB COc1ccc(CNC(=O)C2CCC(C(C)(C)C)CC2)cn1 32873809 VBUXNPHVYTXBEE-UHFFFAOYSA-N 304.434 3.559 0 40 DHAB COc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 38834167 NTZRXOHLFICHDD-QGZVFWFLSA-N 324.424 3.546 0 40 DHAB COc1ccc(OC(F)F)c(NC(=O)NCc2ccccc2)c1 40120578 OREZJBAKZHBHND-UHFFFAOYSA-N 322.311 3.618 0 40 DHAB Fc1ccccc1-c1nnc2sc(/C=C/c3cccnc3)nn12 40267453 NZJUNKYFUXQBGB-BQYQJAHWSA-N 323.356 3.557 0 40 DHAB O=C(Nc1nccs1)N[C@H]1CCSc2ccc(F)cc21 42754919 GXNQUXRVVUHNSP-JTQLQIEISA-N 309.391 3.641 0 40 DHAB Cc1cccc(NC(=O)C[C@H]2C=CCC2)c1C(=O)N1CCCC1 46909863 BPWAYZUIVDZVFU-HNNXBMFYSA-N 312.413 3.526 0 40 DHAB Fc1ccccc1CN1CC[C@H](c2nnc(-c3ccccc3)o2)C1 49169315 SXPQIHHZBJPCJA-INIZCTEOSA-N 323.371 3.865 0 40 DHAB biogenic,in-vitro O=C(Nc1ccc(F)cc1)N(Cc1ccco1)C[C@H]1CCCO1 56515392 DSTWHDNQPKECED-MRXNPFEDSA-N 318.348 3.632 0 40 DHAB c1ccc(Cc2nnc(CSc3nc4ccccc4[nH]3)o2)cc1 58342860 OHHOVMAODZIFKI-UHFFFAOYSA-N 322.393 3.829 0 40 DHAB Cc1noc(C)c1CNc1nc(C(F)(F)F)nc2ccccc12 63255197 FWIYDDWIQNTMQS-UHFFFAOYSA-N 322.290 3.866 0 40 DHAB O[C@@H](Cn1c([C@@H]2CCCO2)nc2ccccc21)c1ccccc1 65005825 PUEOZVNZXIRZHP-ROUUACIJSA-N 308.381 3.621 0 40 DHAB CCc1ccc(CN2Cc3cc(Cl)ccc3OCC2=O)cc1 65184368 RVMSYANZQHEYSB-UHFFFAOYSA-N 315.800 3.824 0 40 DHAB O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccccn1 68011383 ARALQKALTWKBMQ-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB CC1(C)CC[C@@H](N[C@@H](C(N)=O)c2ccccc2)c2ccccc21 69097127 OKLBIPYPDOARPN-QZTJIDSGSA-N 308.425 3.615 0 40 DHAB Cc1cc(C(=O)NC2=NCCS2)sc1-c1ccc(F)cc1 69420715 INODWWHPUBRUBF-UHFFFAOYSA-N 320.414 3.695 0 40 DHAB CN1CCC[C@@H](CSc2nnc(-c3ccc(Cl)cc3)o2)C1 69587120 XIWQXUYQIUFACG-LLVKDONJSA-N 323.849 3.824 0 40 DHAB O=C(O)c1nsc2c1N=C(O)C[C@@H]2c1ccccc1Cl 71281193 FTKAQOLRHVMRGL-SSDOTTSWSA-N 308.746 3.618 0 40 DHAB CCN(C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72212745 KTZMMAIZIMWGLK-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB CCOC(=O)c1sc(C2=Cc3ccccc3OC2)nc1C 72228350 HPBVNYORDUAQLS-UHFFFAOYSA-N 301.367 3.561 0 40 DHAB CCc1noc([C@H](C)SCCOc2ccccc2OC)n1 76325469 DXSWBGJNLOMVEN-NSHDSACASA-N 308.403 3.514 0 40 DHAB Cc1ncc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)s1 78182263 JDYYOXWRIYUKAL-OCCSQVGLSA-N 300.427 3.778 0 40 DHAB COc1ccccc1-n1nnnc1SCCCC1CCCC1 78965536 PYTPOBCQRYQVDG-UHFFFAOYSA-N 318.446 3.733 0 40 DHAB C[C@H](NC(=O)N1CCC[C@@H]1CC1CCCCC1)[C@@H]1CCCO1 84636563 GFMRVNMJRFQIHQ-UAGQMJEPSA-N 308.466 3.698 0 40 DHAB CCOc1ccc(C(=O)N(C)C)cc1NCc1cccc(F)c1 84810527 NCWMGHVMCHTFQN-UHFFFAOYSA-N 316.376 3.538 0 40 DHAB COc1ccccc1[C@@H]1CC(c2cccc(C)c2)=NN1C(C)=O 89669299 MRCDHQWOIGMIEU-SFHVURJKSA-N 308.381 3.701 0 40 DHAB CC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1CC)c1ccccc1 89948729 VIWZZVRNMLIZDL-AYOQOUSVSA-N 314.473 3.764 0 40 DHAB NC(=O)Nc1ccc(Cl)c(NC(=O)CC2=CCCCC2)c1 95389669 DORSMEDTKTXLGD-UHFFFAOYSA-N 307.781 3.660 0 40 DHAB CS[C@H](C)CCC(=O)OCc1ccc(OC(F)F)cc1 95983821 GTSQWGBAXWRSGJ-SNVBAGLBSA-N 304.358 3.863 0 40 DHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)o3)N21 222651473 RSWOZDZCZVVNTK-UHOFOFEASA-N 313.426 3.962 0 40 DHAB CC[C@H](NC(=O)c1ccccc1OC)c1ccc(OC)c(C)c1 223306851 KLHJCAWOKMMKFQ-INIZCTEOSA-N 313.397 3.893 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 223371967 QDGHNKMRLFRVHL-GZOSKZMVSA-N 313.441 3.638 0 40 DHAB O=C(Cc1cccc(Cl)c1)NCCCc1ccc(F)cc1 224560291 XEEOYNOSGWPHIV-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB COc1cccc(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)O)c1 225046135 JMEPYQBUYULPIE-GOSISDBHSA-N 314.381 3.893 0 40 DHAB O=C(/C=C/c1ccccc1)NCC[C@@H](O)c1cccc(Cl)c1 225607808 CYRROHMHYSQCCI-OAGJVSPASA-N 315.800 3.593 0 40 DHAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225637148 KANDUDJZKWZKFZ-ACJLOTCBSA-N 305.418 3.928 0 40 DHAB CCc1nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2n1C 225895977 DXDXPVXRXCKYMN-ZDUSSCGKSA-N 307.397 3.627 0 40 DHAB FC(F)COCc1nn(C2CCCC2)cc1Br 408716530 NXBCCWYHAFQJLJ-UHFFFAOYSA-N 309.154 3.542 0 40 DHAB CCCCc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1 409205744 FMAZWPDGKQUHHN-UHFFFAOYSA-N 308.425 3.984 0 40 DHAB COc1ccc([C@H](NCc2ncccc2F)C2CC2)c(F)c1 566084802 SVWNFARUHJSYFM-QGZVFWFLSA-N 304.340 3.609 0 40 DHAB CN1C(=O)CN=C(c2cccc(Cl)c2)c2cc(Cl)ccc21 675082201 JOCACFCYNSWKFL-UHFFFAOYSA-N 319.191 3.807 0 40 DHAB O=C(O)c1cc2ccc(C(F)(F)F)cc2nc1OCC1CC1 685937083 KERYHEVYVXJCQZ-UHFFFAOYSA-N 311.259 3.741 0 40 DHAB O=C1C[C@H](c2ccc3c(c2)OCCCCO3)Oc2ccccc21 138850 HPEJRAAMFWGYEO-GOSISDBHSA-N 310.349 3.945 0 40 DHAB biogenic COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1 190382 QLWMKGYEANDTNY-UHFFFAOYSA-N 311.362 3.940 0 40 DHAB O=C(CF)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 369125 BTQUEGUXEZBXBB-VIFPVBQESA-N 316.612 3.561 0 40 DHAB COc1cc(O)ccc1[C@H]1Nc2ccc(C)cc2-c2cc(C)nn21 382425 QAFNARZJPXJHNS-IBGZPJMESA-N 321.380 3.854 0 40 DHAB CCC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@@H]2[C@H]1c1ccco1 524761 OFOXTMOYXZXIJT-OCBCSQNSSA-N 315.344 3.994 0 40 DHAB FC(F)(F)c1nnc2ccc(Oc3ccc(Cl)cc3)nn12 1393854 YSUHTOVOZZGBIH-UHFFFAOYSA-N 314.654 3.589 0 40 DHAB C[C@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 1922168 SSYLFLPFSBWWAA-JTQLQIEISA-N 321.735 3.663 0 40 DHAB CCN(CC)C[C@@H](C)OC(=O)c1ccc(Cl)cc1Cl 3314859 CRWRAGHIALXDSJ-SNVBAGLBSA-N 304.217 3.881 0 40 DHAB CC(C)[C@@H]1N=C(O)N(c2ccc(Oc3ccccc3)cc2)C1=O 4295635 ZAZCZCVYJDJRER-INIZCTEOSA-N 310.353 3.764 0 40 DHAB CCCn1c(NC(=O)c2ccccc2OC)nc2ccccc21 4900350 PQOWVKVVYKBOIS-UHFFFAOYSA-N 309.369 3.707 0 40 DHAB CC1=C[C@@H](Cc2ccccc2)NN=C2C=Cc3ccccc3N12 5261098 GEZPTRPWWTWZRY-SFHVURJKSA-N 301.393 3.952 0 40 DHAB Cc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCC1=O 5439994 ZCTZGLFQLXEVMY-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB CCCn1nnnc1NCc1ccc(-c2cccc(Cl)c2)o1 7263431 IQBHENNJGTVBRJ-UHFFFAOYSA-N 317.780 3.609 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C)c1 7756245 ISSBUMPBKZGJRU-IBGZPJMESA-N 320.392 3.898 0 40 DHAB Cc1ccc(NC(=O)CN(C)C(=O)C[C@@H](C)c2ccccc2)cc1 8375740 AXUULMZAYHDURQ-MRXNPFEDSA-N 324.424 3.586 0 40 DHAB Nc1ccc(N2CCN(c3ccccc3)CC2)c(C(F)(F)F)c1 8701216 GUAGVVDZOROVMJ-UHFFFAOYSA-N 321.346 3.614 0 40 DHAB CCc1ccc(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cc1 8710181 JQHZIRIYFQUWCK-GOSISDBHSA-N 319.408 3.686 0 40 DHAB O=C(c1ccco1)N1N=C(c2cccc(O)c2)C[C@@H]1c1ccco1 8734920 AQPYSBWEJULLNJ-OAHLLOKOSA-N 322.320 3.570 0 40 DHAB CCOC(=O)c1sc(-c2ccc(NC(=O)CC)cc2)nc1C 12738386 LZBZEXUFPBXAHB-UHFFFAOYSA-N 318.398 3.644 0 40 DHAB CN(Cc1ccco1)c1nn2cc(-c3ccccc3)nc2s1 12743034 RNGVCJXNYZTCPD-UHFFFAOYSA-N 310.382 3.687 0 40 DHAB Cc1ccsc1CN(C)Cc1nc(-c2ccc(F)cc2)no1 12905021 MBGBXCNWSFQPKX-UHFFFAOYSA-N 317.389 3.878 0 40 DHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccccc1F 12942406 HSXCUOOEIJIZRD-UHFFFAOYSA-N 319.405 3.520 0 40 DHAB CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 13004287 NFRGNMIIGIZYDL-UHFFFAOYSA-N 308.333 3.945 0 40 DHAB in-vitro Cc1ccccc1-c1nnc2ccc(NCc3ccccc3)nn12 13624274 VWUCCDKUOGZEES-UHFFFAOYSA-N 315.380 3.712 0 40 DHAB COc1ccc(OC)c(NC(=S)Nc2cc(C)ccc2F)c1 13840280 IZCACOADEQNQAY-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cn1ncc2c(Nc3ccc(Nc4ccccc4)cc3)ncnc21 14207581 GEZNXTGBAMPUCI-UHFFFAOYSA-N 316.368 3.851 0 40 DHAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccccc2F)c1 15693120 OGMZTRFSSINLNR-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB O=c1c2ccccc2nc2sc(-c3cccc(Cl)c3)nn12 17052600 DAIQIUVRPKCIKA-UHFFFAOYSA-N 313.769 3.625 0 40 DHAB CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 23715248 PPXJGWAJXGJHEZ-SFHVURJKSA-N 308.381 3.814 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 25874839 IHBHBANPQCHNKV-CQSZACIVSA-N 315.438 3.605 0 40 DHAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)CCc1ccccc1 27759928 ZQFROAJNAJEGRM-CYBMUJFWSA-N 300.402 3.858 0 40 DHAB C[C@@H](NC(=O)COCc1ccccc1Cl)c1ccc(F)cc1 40140809 SSGRUWIVHRRRPM-GFCCVEGCSA-N 321.779 3.873 0 40 DHAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCCC1 40511881 YSNQYPRYMWDUAC-UHFFFAOYSA-N 309.413 3.513 0 40 DHAB CN(CCc1ccncc1)C(=O)C(C)(C)c1cccc(Cl)c1 41500272 IVVPOIGNFMUMEP-UHFFFAOYSA-N 316.832 3.714 0 40 DHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccnc2)c1 45584660 KMAPXBMWHVGOAW-HNNXBMFYSA-N 312.413 3.597 0 40 DHAB O=C(NCCCOCCc1ccccc1)Nc1ccccc1F 48051341 JPRXJRMLAOOXFM-UHFFFAOYSA-N 316.376 3.597 0 40 DHAB CN(C)Cc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 54572288 XXPBXKFCQSNFBH-UHFFFAOYSA-N 321.380 3.656 0 40 DHAB CCc1cccc(C)c1NC(=O)CNCc1ccccc1Cl 58160395 QXCLRGKSOFBMJW-UHFFFAOYSA-N 316.832 3.939 0 40 DHAB Cc1cccc(NC(=O)CNCc2ccccc2Cl)c1C 58160396 NQTPWKMXQSXFLJ-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB C[C@H](N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 58160744 WOMYCCHEVCKNIG-WDEREUQCSA-N 322.330 3.782 0 40 DHAB CC(=O)c1c(C)cc(C)c(CNc2ccc3c(c2)C(=O)NC3)c1C 58470402 LPIQSEKDTFCWBN-UHFFFAOYSA-N 322.408 3.670 0 40 DHAB Oc1ccccc1N1CCN([C@@H]2CCCc3ccccc32)CC1 60755267 MKNFMOCABTYPHS-GOSISDBHSA-N 308.425 3.592 0 40 DHAB Cc1ccccc1C(=O)Nc1c(-c2ccc(F)cc2)ncn1C 69568203 LFJLDYCOEUHJRQ-UHFFFAOYSA-N 309.344 3.787 0 40 DHAB C[C@H](CCNC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccc1 69668332 XILOBYQJJLFRCN-KDOFPFPSSA-N 323.392 3.598 0 40 DHAB Cc1ccccc1NC(=O)NCCc1ncc(-c2ccccc2)[nH]1 69918075 MVTKYXQFMIGUIU-UHFFFAOYSA-N 320.396 3.749 0 40 DHAB O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCCCC1 70636277 JIDDLXMJJBTCBL-SFHVURJKSA-N 312.413 3.505 0 40 DHAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(C)cc2F)cc1 71326073 JIRBHNUNKPZJRJ-UHFFFAOYSA-N 317.389 3.901 0 40 DHAB CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H](C)n1ccnc1 71911123 PUJWAOIITCUUDB-LLVKDONJSA-N 307.781 3.523 0 40 DHAB Cc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1 72227490 NLNQEDWLVOPSES-LSDHHAIUSA-N 321.207 3.717 0 40 DHAB C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccncc1 76648953 MXYQHSQIZDHNTM-CQSZACIVSA-N 316.832 3.757 0 40 DHAB Cn1cc(-c2nc(CNc3ccc(Cl)cc3)cs2)cn1 79068306 UQKYAMDNVINMEQ-UHFFFAOYSA-N 304.806 3.809 0 40 DHAB COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)CC2 87492983 MZTMCSKWSQDRAX-HNNXBMFYSA-N 300.354 3.779 0 40 DHAB biogenic Cc1cc(NC(=O)CCc2nnc(C(C)C)o2)c2ncccc2c1 91794891 APKFOXCOMNYCMU-UHFFFAOYSA-N 324.384 3.621 0 40 DHAB Cc1csc([C@H](NC(=O)NCc2cc(C)oc2C)C2CC2)n1 96440298 KIEXSYIPEJJCAO-CQSZACIVSA-N 319.430 3.612 0 40 DHAB Cc1noc(C2CC2)c1NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 193965702 XNRPRLNJBCPHMM-UONOGXRCSA-N 315.348 3.677 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)cc2C)c1 198262235 ZUCLCWAOPOHZGV-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB C[C@H](COc1ccccc1)NC(=O)Cc1ccc(Cl)cc1F 225022458 OEHADEQAGULKQW-GFCCVEGCSA-N 321.779 3.605 0 40 DHAB O=C(NCCCN1CCCCCC1)c1ccc2c(c1)CCCC2 225628821 WCXJLYBUPRPRGU-UHFFFAOYSA-N 314.473 3.561 0 40 DHAB c1csc(-c2n[nH]cc2CN2CCCC[C@H]2c2ccn[nH]2)c1 257331914 XUVKNDBLLZBZJW-AWEZNQCLSA-N 313.430 3.589 0 40 DHAB CC[C@H](C(=O)Nc1nc(C(C)(C)C)co1)c1c(C)noc1C 565723695 CAYHWEDYHLDWMT-NSHDSACASA-N 305.378 3.709 0 40 DHAB CCc1ccc2occ(C(=O)N[C@@H](C)c3nccc(C)n3)c2c1 585088268 RYDHFYXBIIALTO-LBPRGKRZSA-N 309.369 3.585 0 40 DHAB CCc1cnc(OC2CCN(C/C=C/c3ccccc3)CC2)nc1 1776008599 JDIFSRAOQKARNQ-RMKNXTFCSA-N 323.440 3.596 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)NC2CCCCCC2)c1 147225 SJCVEBSROSUZAT-FMIVXFBMSA-N 303.402 3.556 0 40 DHAB CCOc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ncnn21 523990 IVRXOQCOHPCQKZ-DLBZAZTESA-N 320.396 3.823 0 40 DHAB COc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 531213 OYYTYUQHNVLXFT-UHFFFAOYSA-N 308.366 3.528 0 40 DHAB Cc1ccc(C(=O)NC(=S)Nc2cccc(F)c2)c(C)c1 570480 MWQGMJKZVSELAL-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB COCCCn1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1=S 2150485 AZJCUZUKSXZWBE-UHFFFAOYSA-N 317.336 3.663 0 40 DHAB COc1ccc2c(c1)CCN(c1ccc(Cl)cc1)[C@H]2C(=O)O 2527051 YCZHXFZBFUUDGE-MRXNPFEDSA-N 317.772 3.537 0 40 DHAB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)C1CCCC1 3253947 NZWDQPJBXUIMOK-UHFFFAOYSA-N 317.241 3.997 0 40 DHAB COc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 3603089 DVJQNHABZTURED-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1C 3606572 LKMUXEHGHGZWFU-LJQANCHMSA-N 309.409 3.876 0 40 DHAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc(F)c(F)c1 4144268 OKPFCDVOZBJPIT-UHFFFAOYSA-N 322.292 3.583 0 40 DHAB O=C(NC1CCCCCC1)C1CCN(C[C@H]2CC=CCC2)CC1 4676415 VVHWMOMLDSTZPP-KRWDZBQOSA-N 318.505 3.894 0 40 DHAB COc1ccc(OC)c(NC(=O)c2cc(Cl)ccc2OC)c1 5526736 AYVBXESWHNCIDL-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCc2ccccc21 5938629 FTHQYNMXKDQZFB-UHFFFAOYSA-N 304.349 3.853 0 40 DHAB Cc1c(C)n(CCc2ccccc2)c2ncnc(N3CCCC3)c12 6764557 QICQYLUEZQVZEX-UHFFFAOYSA-N 320.440 3.891 0 40 DHAB COc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 7504977 KIRLKYWLSWOBCM-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccccc2O1 7948837 BYTLPCXXYXCLND-AWEZNQCLSA-N 323.270 3.527 0 40 DHAB Fc1ccc(NC(=S)NCCSc2ccccc2)cc1 8150214 JPCYGIMXQSLMKO-UHFFFAOYSA-N 306.431 3.904 0 40 DHAB CCOc1ccc(CNCc2ccc(F)cc2)cc1OCC 8324913 IWFGTAZGNVDEJW-UHFFFAOYSA-N 303.377 3.913 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCc2ccccc2C1 8478757 OFXFWXTZZNNOHY-KRWDZBQOSA-N 313.372 3.568 0 40 DHAB COc1cccc(CNC2C3CC4CC(C3)CC2C4)c1OC 8495163 WQOZFYFIGJXYHM-UHFFFAOYSA-N 301.430 3.618 0 40 DHAB C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 9513325 FANOQHFCKGPRBJ-CQSZACIVSA-N 315.380 3.989 0 40 DHAB CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H](C)CCc1ccccc1 12353986 XSCSLSHNONYAPT-HNAYVOBHSA-N 314.473 3.902 0 40 DHAB O=C(NC1CCCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1 12390894 XKFJNWUJYLZSIZ-UHFFFAOYSA-N 324.384 3.671 0 40 DHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(F)c1 12938718 NZGUQKHLSHUMHQ-UHFFFAOYSA-N 311.356 3.916 0 40 DHAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2)c1 13840981 XKMXEXQEQSYXJD-UHFFFAOYSA-N 314.410 3.981 0 40 DHAB CN(CCOc1ccc(N)cc1C(F)(F)F)c1ccccc1 14630200 IWEFXFCMUQQCNV-UHFFFAOYSA-N 310.319 3.803 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(OC)c2ncccc12 15840705 PFKGZPYQVRSHOA-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC(c2cc3cnccc3[nH]2)CC1 19331937 IDYJMJVUSFQEFW-UHFFFAOYSA-N 323.371 3.722 0 40 DHAB Cc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 19359858 WUHIJFJIWDAJOE-UHFFFAOYSA-N 308.469 3.745 0 40 DHAB COc1ccc(CN2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19555031 IVHYHDRFRONRQD-UHFFFAOYSA-N 321.424 3.951 0 40 DHAB C=Cn1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)n1 19584208 MMZDMBHLBLOTBX-INIZCTEOSA-N 321.428 3.548 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CCc2cnn(-c3ccccc3)c2)o1 23306440 BBHKAVFUXPYPQT-HNNXBMFYSA-N 323.396 3.584 0 40 DHAB O=C(NCCc1ccccc1F)c1sccc1-n1cccc1 23692646 DRCSKZQJYCNBLR-UHFFFAOYSA-N 314.385 3.650 0 40 DHAB Cc1csc(NC(=O)c2sc3nc(C)nc(C)c3c2C)n1 30579435 RKPMDNSXMKLXQW-UHFFFAOYSA-N 318.427 3.634 0 40 DHAB Cn1ncc2c1CCC[C@H]2NC(=O)Nc1cccc2ccccc12 31662154 AEECVZPZNCVVNC-QGZVFWFLSA-N 320.396 3.772 0 40 DHAB C[C@H]1CCN(C(=O)CCc2ccc3c(c2)OCO3)c2ccccc21 31781659 IEQQXJYQVUQBBA-AWEZNQCLSA-N 323.392 3.888 0 40 DHAB Cc1cc(Br)ccc1NC(=O)OCC(F)(F)F 32628879 SEQJAMWBBYRUQA-UHFFFAOYSA-N 312.085 3.868 0 40 DHAB in-vitro C[C@@H](Nc1ccccc1S(C)(=O)=O)c1ccc(F)cc1F 35046767 JBCTWKQXNUDCAA-SNVBAGLBSA-N 311.353 3.541 0 40 DHAB Nc1cc(-c2ccccc2)nn1-c1cccc(Br)c1 35778854 PHIHEAAALRUYFH-UHFFFAOYSA-N 314.186 3.884 0 40 DHAB COc1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 38834208 QYNPDSGGOPHOGA-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB CCCCOc1ccc(C(=O)OCC)cc1Br 39952478 HUVNVOHPRDFRGA-UHFFFAOYSA-N 301.180 3.805 0 40 DHAB Cc1nc2ccc(NCC(=O)N3[C@H](C)CCC[C@H]3C)cc2s1 40012031 XFJFBNSAVPHXIW-VXGBXAGGSA-N 317.458 3.806 0 40 DHAB C[C@H]1CCCCN1CCCCNC(=O)/C=C/c1cccc(F)c1 40108157 XFJBGOLPISUGQO-OFAQMXQXSA-N 318.436 3.610 0 40 DHAB CCSc1ccccc1NC(=O)NCC1(N(C)C)CCCC1 40151899 LRGWIOYTNUDKKI-UHFFFAOYSA-N 321.490 3.795 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CCSCc2csc(C)n2)o1 40519978 WBBPPJBMEDHBMT-NSHDSACASA-N 324.471 3.854 0 40 DHAB Cc1cc(C)n(CCCNC(=O)CCCC2CCCCC2)n1 46866786 PTZIYZNVSLNBML-UHFFFAOYSA-N 305.466 3.757 0 40 DHAB C[C@@H](NC(=O)N(C)Cc1csc2ccccc12)[C@H]1CCCO1 46972509 XIRMQQDNZPPQPG-IUODEOHRSA-N 318.442 3.610 0 40 DHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc2cccnc12 48354031 YSEDTRIIHSNJFJ-SZMVWBNQSA-N 324.424 3.541 0 40 DHAB COc1ccccc1CN(C)C(=O)CCc1ccc(Cl)cc1 53664697 WCYYBBQXNHORMN-UHFFFAOYSA-N 317.816 3.940 0 40 DHAB CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12 58536912 QDVQXKBFMGSBMV-UHFFFAOYSA-N 323.396 3.989 0 40 DHAB O=C(CCCOc1ccccc1)OCc1nc2ccccc2o1 60568717 CVUURBZPDKFBJW-UHFFFAOYSA-N 311.337 3.730 0 40 DHAB CC(C)[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccc1 69452385 WFRJKMGVNJKSMB-HKUYNNGSSA-N 323.392 3.802 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Cl)nc2)s1 71883147 IMZJGZAMPKFKBU-SECBINFHSA-N 309.822 3.642 0 40 DHAB CO[C@H](C(=O)N[C@@H](C)c1csc(C(C)C)n1)c1ccccc1 71907669 MZUSCJXMLYXXFT-WFASDCNBSA-N 318.442 3.831 0 40 DHAB CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H]2CCCN2)n1 72209132 GTSBJHPAHFFQHP-LBPRGKRZSA-N 307.781 3.602 0 40 DHAB CCCN1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214440 MBCDJIYNSFTMFY-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB C[C@@H](OC1CCCC1)C(=O)N1CCCC[C@H]1c1nccs1 72285928 NOBMMSFYAUIWLE-OCCSQVGLSA-N 308.447 3.544 0 40 DHAB Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)o1 75170569 LQFDNICBOMSWGJ-UHFFFAOYSA-N 302.418 3.664 0 40 DHAB O=C(/C=C/c1cccnc1)N1CC[C@@H](CSc2ccccc2)C1 76067167 LMVIYBMHSNBXQV-KBOKABMXSA-N 324.449 3.736 0 40 DHAB O=C1CCCN1C[C@@H](Nc1nc2ccccc2o1)c1ccccc1 78333861 ATNRXPKNINDQGI-MRXNPFEDSA-N 321.380 3.603 0 40 DHAB COc1ccc(C[S@@](=O)[C@@H](C)c2ccc(F)cc2)cc1F 78556206 KAVLQGDDHVFIBV-MQJDWESPSA-N 310.365 3.983 0 40 DHAB Cc1ocnc1CSc1ncnc2sc3c(c12)CCC3 89556286 PJWFFGCIQTXBBI-UHFFFAOYSA-N 303.412 3.769 0 40 DHAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc(C)c3)C2)cc1 89669318 WFMFNNUHRCCBQI-IBGZPJMESA-N 308.381 3.701 0 40 DHAB CCNCc1ccccc1NC(=O)[C@@H]1CSc2ccccc21 95405642 WFYIMKFFIGUEMZ-OAHLLOKOSA-N 312.438 3.624 0 40 DHAB CCSc1cccc(NC(=O)N(C)Cc2nccs2)c1 95405907 KTXJPQMTNJQSOR-UHFFFAOYSA-N 307.444 3.919 0 40 DHAB c1cc(CNc2ccc(-c3nnc4n3CCCC4)cc2)cs1 95429080 ARYMLZCCVYQMIU-UHFFFAOYSA-N 310.426 3.955 0 40 DHAB C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccon1 95462261 XVKFKHNXDRCHKL-SSDOTTSWSA-N 300.145 3.864 0 40 DHAB Cc1[nH]ncc1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 95958583 CRADBMMEEYGNAP-UHFFFAOYSA-N 312.200 3.690 0 40 DHAB Cc1ccc2cccc(C(=O)N(C(C)C)C3CCOCC3)c2n1 95985571 FVJIDEPDZVTQBJ-UHFFFAOYSA-N 312.413 3.573 0 40 DHAB CO[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1C 96104949 LDKGOAAFKZEUAK-SFHVURJKSA-N 308.381 3.594 0 40 DHAB CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ncc(C)s1 96415644 JICFRHJGLQOIDS-LLVKDONJSA-N 310.806 3.692 0 40 DHAB CC(C)c1nnc(CCC(=O)N2CC[C@H](C)CC[C@H]2C(C)C)o1 96446325 UCTZMJBLZZJEKB-CABCVRRESA-N 321.465 3.799 0 40 DHAB C[C@H](NC(=O)Nc1ccc2sccc2c1)C1CCOCC1 97016025 ZINUVTKNWGKCKK-NSHDSACASA-N 304.415 3.838 0 40 DHAB COc1cccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2Cc2ccncc2)c1 100728925 BBTRJBRIOVGVLB-HLIPFELVSA-N 324.424 3.522 0 40 DHAB CC1(C)O[C@]2(C)CC[C@H]1[C@@H]1[C@@H]2N1C(=O)Nc1cccc(Cl)c1 101152103 MZELXWCWVZYPER-HHRCXYMXSA-N 320.820 3.902 0 40 DHAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCSc2ccccc21 102359411 WPVCUNQECNSURB-VIRABCJISA-N 318.511 3.876 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)/N=c1/ccccn1Cc1ccccc1 107471630 SYSADAULMWEQND-XWILWOLISA-N 320.436 3.790 0 40 DHAB Cc1cc(-c2ncn([C@H]3CCCCO3)n2)ccc1Br 113926574 ZQYMIDKPBPVWJY-CYBMUJFWSA-N 322.206 3.715 0 40 DHAB CCOc1cc(C(N)=O)cc(Cl)c1OCc1ccc(C)cc1 216836250 CYSPYVWUJWWJGK-UHFFFAOYSA-N 319.788 3.725 0 40 DHAB O=C(CC(F)(F)F)N1CCS[C@H](c2cccs2)CC1 219515836 RPNOJLGLRZGRCZ-JTQLQIEISA-N 309.378 3.707 0 40 DHAB Cc1ccccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222557107 SAEGZKMOOHJDEP-JQFCIGGWSA-N 309.438 3.979 0 40 DHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1sccc1C 222858376 OKRTVEZRODNHQU-UONOGXRCSA-N 317.483 3.834 0 40 DHAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 224707737 DXDMOIBMGFSQMK-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)c(OC)c1 225940485 QJAXREGUXAABGN-UHFFFAOYSA-N 311.381 3.683 0 40 DHAB NC(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 226236148 AAMHMVCMOBSKKR-UHFFFAOYSA-N 306.152 3.636 0 40 DHAB CCOc1cc(CN2[C@H]3CC[C@H]2c2cccnc2C3)ccc1OC 247880090 IXDJRXGHRMRGGT-YJBOKZPZSA-N 324.424 3.751 0 40 DHAB CNc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccccc2)n1 257223200 DWIMPZXEJMEAFB-SFHVURJKSA-N 323.440 3.751 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1cccc(OC(C)C)c1 408577205 XFMPUHGQRDYMJQ-UHFFFAOYSA-N 315.369 3.743 0 40 DHAB O=C(CCCn1cccc1)N[C@H]1CCCc2c1[nH]c1ccccc21 524732222 ONZLRMSPCDXKTD-SFHVURJKSA-N 321.424 3.943 0 40 DHAB biogenic Cc1oncc1CNC(=O)CC(c1ccccc1)c1ccccc1 575609091 OPWRSCHYFNKXGB-UHFFFAOYSA-N 320.392 3.821 0 40 DHAB CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)Oc2ncccc21 2362803112 GPYPKLYJDVJBAQ-HNNXBMFYSA-N 312.369 3.957 0 40 DHAB CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 117086 LDBCIBMWTGQHLL-UHFFFAOYSA-N 302.243 3.640 0 40 DHAB COc1cccc2cc(CC(=O)c3cc(C)ccc3C)c(=O)oc12 216812 BETJURQQJXZAHG-UHFFFAOYSA-N 322.360 3.844 0 40 DHAB CCc1cc2ccccc2nc1SCC(=O)N1CCCC1 413287 RHCKVNMCHPHDBN-UHFFFAOYSA-N 300.427 3.512 0 40 DHAB CCc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 557381 LPACTBAXLGCRRL-UHFFFAOYSA-N 323.352 3.601 0 40 DHAB CCCOc1ccc2ccccc2c1/C=C1/SC(=O)NC1=O 2169638 WIWDZNZJLUFUSQ-XNTDXEJSSA-N 313.378 3.953 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2F)cc1 2628732 DSHKSFWTYLJQEF-UHFFFAOYSA-N 315.344 3.826 0 40 DHAB O=C(NCCCCc1ccccc1)c1cc2ccccc2oc1=O 2757180 ZFRRDDBQIRLTNC-UHFFFAOYSA-N 321.376 3.546 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)o2)n1 2778840 DVFTYOVNBFLYKW-ZIAGYGMSSA-N 315.417 3.544 0 40 DHAB O=C(Nc1ccccc1)O[C@@H](C(F)(F)F)C(F)(F)Cl 3106313 FKOFPBBDVZPNAP-SSDOTTSWSA-N 303.614 3.998 0 40 DHAB CCCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1 3348374 PIBQQPVORCDPDU-UHFFFAOYSA-N 305.399 3.585 0 40 DHAB COc1ccccc1CNC(=O)Cc1coc2cc(C)ccc12 3614818 YZPMJZMGZWKYGS-UHFFFAOYSA-N 309.365 3.609 0 40 DHAB COc1cccc(-c2onc3ccc(C4(C)OCCO4)cc23)c1 4060977 UZIAQDASWOMRTR-UHFFFAOYSA-N 311.337 3.723 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1c2ccccc2C[C@@H]1C 4251635 CVIVHEBDRMVMOM-LBPRGKRZSA-N 318.376 3.637 0 40 DHAB CC(C)(C)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 4384739 WHSGIOHGCBSACK-UHFFFAOYSA-N 320.392 3.679 0 40 DHAB C[C@@H](COC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)N1CCCC1 4411191 XMEWHLNQVHUJQI-VJANTYMQSA-N 317.473 3.953 0 40 DHAB O=C(Nc1nccs1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 4831883 YGMASENZXLIZPO-VHSXEESVSA-N 313.209 3.669 0 40 DHAB COc1ccc(-c2cccc(NC(=O)c3cccc(C)c3)c2)nn1 5259505 MUOZZOQGXHCRFB-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB Cc1cc(Nc2ccccc2)nc(SC(=O)C(F)(F)F)n1 5739930 XFWWTQKANQOYJE-UHFFFAOYSA-N 313.304 3.710 0 40 DHAB CC(C)c1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 6315603 BFLIJDWICKUJGU-CQSZACIVSA-N 315.438 3.950 0 40 DHAB Cc1ccsc1[C@@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21 6444611 UFQBFPDOAJPZJP-GFCCVEGCSA-N 309.394 3.921 0 40 DHAB CCc1ccc2oc(C(=O)Nc3ccccc3OC)cc(=O)c2c1 6811267 SWJHORXFLKBSEC-UHFFFAOYSA-N 323.348 3.616 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(C)c1 6820321 CBNZXCIHTDDMQE-UHFFFAOYSA-N 301.820 3.819 0 40 DHAB Cc1ccc2cccc(OCC(=O)N(C)Cc3ccccc3)c2n1 6865709 FDNDSCOMGKBMDT-UHFFFAOYSA-N 320.392 3.581 0 40 DHAB Cc1cc(-c2nnc(CN3c4ccccc4C[C@@H]3C)o2)c(C)o1 7114914 QQMPHPLOBODZGK-NSHDSACASA-N 309.369 3.898 0 40 DHAB CCNc1nnc(S[C@H](C)C(=O)c2cc(C)ccc2C)s1 7247163 SBONKDUSLJJAKR-LLVKDONJSA-N 321.471 3.950 0 40 DHAB COCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 7524549 FWLNJCPSFAZDPQ-UHFFFAOYSA-N 300.185 3.989 0 40 DHAB Cc1ccccc1-c1noc(COc2ncnc3ccccc23)n1 8156048 VUNOOWDNZVKZIK-UHFFFAOYSA-N 318.336 3.567 0 40 DHAB O=c1cc(-c2ccccc2)nc(SCc2ccc(F)cc2)[nH]1 8829049 DTIQMRDGNSUULC-UHFFFAOYSA-N 312.369 3.868 0 40 DHAB Cc1ccccc1[C@@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21 9546546 BYYBPZUMDXGJQF-HNNXBMFYSA-N 303.365 3.859 0 40 DHAB CCc1nnc(NC(=O)C2(c3ccccc3F)CCCC2)s1 9637960 CODNPGDMYKKKEX-UHFFFAOYSA-N 319.405 3.690 0 40 DHAB COc1cc(Cl)c(NC(=O)c2ccc(C)cc2)cc1OC 10584880 NRIYXJHXNIWVIF-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB Cc1cc(-c2cnc(N3CCCCC3)nc2-c2ccc(C)o2)on1 12185995 QTMYVGVIZOZCTP-UHFFFAOYSA-N 324.384 3.999 0 40 DHAB CCc1[nH]c2ccc(C(=O)NCCC[C@H]3CCOC3)cc2c1C 12204052 KZVRCPWURUZFCK-AWEZNQCLSA-N 314.429 3.585 0 40 DHAB Cc1cc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)on1 12422436 QHHFWBPLHQCBLI-UHFFFAOYSA-N 307.762 3.807 0 40 DHAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(F)c2)c1 12919681 JKIIGQRFCJHGNN-UHFFFAOYSA-N 301.361 3.594 0 40 DHAB Cc1ccccc1-c1noc([C@H](C)NC(=O)c2ccccc2)n1 13495383 VNHBRRWBCYIIFF-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB C[C@H](NC(=O)c1ccccc1CO)C12CC3CC(CC(C3)C1)C2 13943907 JNNUKQDIUSDMGX-IVKJLDKCSA-N 313.441 3.514 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 14020435 FPRZJCQRIZPSBY-UHFFFAOYSA-N 306.321 3.797 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1 14219698 NYZYEKLQRGWIOG-KRWDZBQOSA-N 303.427 3.566 0 40 DHAB CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)cc1C 15860732 TWXFPURQRJOYDB-MRXNPFEDSA-N 324.424 3.655 0 40 DHAB Cc1nc2ccccc2nc1COc1cccc(/C=C/C(=O)O)c1 16265430 HKJGBIMRNYUKAO-MDZDMXLPSA-N 320.348 3.615 0 40 DHAB Oc1cc(-c2ccccn2)nc2c(-c3ccc(Cl)cc3)cnn12 19402409 WHVMASFBRNNTPS-UHFFFAOYSA-N 322.755 3.817 0 40 DHAB CCOc1ccc(CNCCc2ccccc2F)cc1OC 22074634 JOSHGQWQFUGSQM-UHFFFAOYSA-N 303.377 3.565 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cc(C)ccc2C)c1 22464113 PTBSBTNXFJSDJZ-CQSZACIVSA-N 310.397 3.945 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ncccc1C 27975737 SBVBSTKCGKSARM-KRWDZBQOSA-N 310.397 3.675 0 40 DHAB CC[C@H](C)NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 28229299 RSLTVHRQUPVUKI-ZDUSSCGKSA-N 313.397 3.876 0 40 DHAB CCCCSCC(=O)N[C@H](C)c1ccc(NC(=O)CC)cc1 31826774 XILMASVDLBVOIC-CYBMUJFWSA-N 322.474 3.746 0 40 DHAB CC(C)c1ccc(-c2nc(CN3CCC(O)CC3)cs2)cc1 32758504 BGQZLMVQGHGXKG-UHFFFAOYSA-N 316.470 3.890 0 40 DHAB Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(N)c1 37285498 HNZIADCFEASHFG-UHFFFAOYSA-N 306.818 3.961 0 40 DHAB Nc1cc(C(=O)N2CCc3ccccc32)cc(Cl)c1Cl 40294431 KHNHCSLNLCSFFI-UHFFFAOYSA-N 307.180 3.779 0 40 DHAB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 42646500 RNYGXPYBSMYTOW-OAHLLOKOSA-N 324.424 3.668 0 40 DHAB Cc1cccc(C(=O)c2cccc(I)c2)c1 43210206 DFJZTERJPKIVOF-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB Cc1nccn1Cc1ccc(C(=O)N(C)c2ccccc2)cc1 44910341 IMRXIKUUMYUCBO-UHFFFAOYSA-N 305.381 3.516 0 40 DHAB O=C(Nc1ccc2nccnc2c1)c1cc(F)c(F)cc1Cl 47178793 ADARVLFDJALPHD-UHFFFAOYSA-N 319.698 3.814 0 40 DHAB CN1[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 49581088 YELFGIPNSMJKET-DYNVDGSKSA-N 316.198 3.687 0 40 DHAB CCCCOCCCNC(=O)[C@]1(C)CCCc2ccccc21 58344154 DWVVNBOSLCQNMZ-LJQANCHMSA-N 303.446 3.604 0 40 DHAB CCc1nc(CC(=O)N(CC)Cc2c(F)cccc2F)cs1 58344847 HKRDYZONSWISGU-UHFFFAOYSA-N 324.396 3.575 0 40 DHAB COc1ccccc1CNC(=O)NCC[C@H](C)c1ccccc1 60339309 CLXCRZBNLUINJS-HNNXBMFYSA-N 312.413 3.688 0 40 DHAB O=C(Cn1cc(-c2ccccc2)cn1)NC1CCCCCCC1 65948090 YUSCRIACNVAIGD-UHFFFAOYSA-N 311.429 3.779 0 40 DHAB CCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCNC2)n1 72209135 SKBFVTXCVJYQJB-LLVKDONJSA-N 321.808 3.646 0 40 DHAB Cc1ccc(C2(C(=O)NCc3cccc(C)c3)CCOCC2)cc1 72265191 NNMQTICTSZLRIG-UHFFFAOYSA-N 323.436 3.668 0 40 DHAB CO[C@@H](CNCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 75093171 GXGAQDKYZBPIHG-SFHVURJKSA-N 307.397 3.554 0 40 DHAB CCO[C@H](C)c1nc(CN(Cc2ccco2)C2CC2)cs1 76718381 LIYQIYNOAVFJBH-GFCCVEGCSA-N 306.431 3.998 0 40 DHAB c1ccc(CCN2CC[C@@H](NCC3(c4ccccc4)CC3)C2)cc1 78998909 BQLJQGFSQWFRLY-OAQYLSRUSA-N 320.480 3.625 0 40 DHAB CS[C@H]1CCC[C@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 89493394 FDHACZBVQMFWSF-NEPJUHHUSA-N 324.412 3.787 0 40 DHAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1csc2ccccc12 89949166 LCPWTHKQZJGCAU-WMLDXEAASA-N 316.470 3.638 0 40 DHAB c1ccc(-c2n[nH]cc2CN2CCC[C@@H](c3nccs3)C2)cc1 92788603 UYYYEWGRXNOJRQ-OAHLLOKOSA-N 324.453 3.913 0 40 DHAB CC(C)n1ccc2c(C(=O)NCc3ccco3)c3c(nc21)CCC3 94992969 FQBABFZMYSMTPR-UHFFFAOYSA-N 323.396 3.629 0 40 DHAB Cc1cc([C@@H](C)NC2CCN(C[C@H]3CCOC3)CC2)c(C)s1 95422683 LWMKZZBJJMNJKS-GDBMZVCRSA-N 322.518 3.516 0 40 DHAB CN(CCc1ccccn1)c1ccc(Br)c(F)c1 95915929 BRBQZERYAXPLSH-UHFFFAOYSA-N 309.182 3.662 0 40 DHAB Cn1cccc1CNCC1(c2cccc(Br)c2)CC1 95960669 JKJTYSSVRJTZEB-UHFFFAOYSA-N 319.246 3.609 0 40 DHAB C[C@H](CNC(=O)c1cc2occc2[nH]1)Sc1ccccc1 95972816 YTAQPJPPUXSLQE-LLVKDONJSA-N 300.383 3.672 0 40 DHAB Cn1cc(C2CCN(Cc3csc(C(C)(C)C)n3)CC2)cn1 97203003 KPSHQZWVLJXPDT-UHFFFAOYSA-N 318.490 3.554 0 40 DHAB C[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 97234412 GCWAVGBKHZGBPO-OCCSQVGLSA-N 318.446 3.512 0 40 DHAB C[C@H](NC(=O)c1ccc2ncsc2c1)[C@@H]1C[C@H]2CC[C@H]1C2 102203865 NHYRPZHPNZYKLN-MNXVOIDGSA-N 300.427 3.851 0 40 DHAB CC(C)[C@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc(F)cc1 105655303 OZRVVVJFFFLTPJ-KSSFIOAISA-N 306.425 3.513 0 40 DHAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 167506339 NJBXUUQCPXNLGW-QYAIJTBZSA-N 322.191 3.695 0 40 DHAB C[C@@H]1CC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2C1 199803054 CXKURIFTPWCFKS-VIFPVBQESA-N 310.275 3.536 0 40 DHAB O=C(NCC[C@@H](O)c1ccsc1)Nc1ccccc1Cl 217545968 BSJRMWBYRZYMIJ-CYBMUJFWSA-N 310.806 3.647 0 40 DHAB COc1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC(C)(C)O2 223318368 NQBUMAXKDAKRSY-HNNXBMFYSA-N 303.402 3.604 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1C 224603535 VYELQJOBHIETPQ-IAGOWNOFSA-N 311.425 3.991 0 40 DHAB Cc1noc(C)c1-c1cccc(C(=O)N[C@@H](C)c2ccccc2)n1 257235982 HAJFWTNDSZIOEJ-LBPRGKRZSA-N 321.380 3.844 0 40 DHAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3C)o2)cc1 408713897 CESIIBUHTLSLOI-UHFFFAOYSA-N 321.380 3.626 0 40 DHAB O=C(Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)n1ccnc1 408734332 NSXJVKPGQITTFR-MRXNPFEDSA-N 311.772 3.765 0 40 DHAB CSC[C@@H](C)c1nc(Cc2nsc3ccccc23)no1 585120266 CQOJPGAYIRKYDO-SECBINFHSA-N 305.428 3.737 0 40 DHAB Cn1c(SCc2cccc(F)c2)nnc1-c1cccs1 352150 QKWFAUHUVYADGM-UHFFFAOYSA-N 305.403 3.975 0 40 DHAB CC(C)(C)n1nc2c(c1NC(=O)Cc1cccs1)CSC2 425752 SDBVEYNEOOLCOL-UHFFFAOYSA-N 321.471 3.628 0 40 DHAB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1O 1086728 WUXKHXFSVIYVSH-OQLLNIDSSA-N 322.364 3.563 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2cccc3nsnc23)cc1 2212860 VVVXZOCEZQFQPD-UHFFFAOYSA-N 313.382 3.731 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2c3ccccc3C[C@H]2C)cc1 2664092 VSJVXQVKLHQJER-ZIAGYGMSSA-N 322.408 3.667 0 40 DHAB S=C(NCCc1ccccc1)N[C@H]1CCCc2ccccc21 3214415 ZYILDEGVJLRHOL-SFHVURJKSA-N 310.466 3.771 0 40 DHAB O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccccc1 3389479 RFMYFZQNDRLBNW-UHFFFAOYSA-N 305.333 3.635 0 40 DHAB O=C(COc1ccccc1)NCc1ccc(Cl)cc1Cl 3606601 BLHSYVWBWBOXLS-UHFFFAOYSA-N 310.180 3.689 0 40 DHAB Cc1ccc(C)c(SCc2nc3ccsc3c(=O)[nH]2)c1 5263263 DGEZQYXEAKHWEL-UHFFFAOYSA-N 302.424 3.894 0 40 DHAB CCN(CC)C(=S)N=P(N(C)C)(N(C)C)C(C)(C)C 5578324 JIYBKTYJOXTDOI-UHFFFAOYSA-N 306.460 3.566 0 40 DHAB COc1cccc(C2=NN=C(N[C@H]3CCCC[C@@H]3C)SC2)c1 6469054 HQCXAZBZZBSXHM-WFASDCNBSA-N 317.458 3.670 0 40 DHAB Cc1cccc(CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 7004556 AEOLFYUEIQGKSV-AUUYWEPGSA-N 314.429 3.632 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2Cl)c1 7305113 XDPFBQJNCJFPQT-ZDUSSCGKSA-N 323.845 3.996 0 40 DHAB NC(=O)Nc1cccc(C(=O)OCc2cccc3ccccc23)c1 7690742 NHBPOOWKSPRLSV-UHFFFAOYSA-N 320.348 3.687 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@H]2CCCC[C@H]2C)cc1C 8140648 WSWJKDQFBXBMOZ-PBHICJAKSA-N 301.430 3.961 0 40 DHAB COc1ccc(C)cc1CN(C)C(=O)Cc1c[nH]c2ccccc12 8347994 ULSJHOQVPYKAMP-UHFFFAOYSA-N 322.408 3.686 0 40 DHAB Cc1nn2c(=O)cc(C(C)(C)C)[nH]c2c1-c1ccc(Cl)cc1 8843989 WXRIEEMJWXOCSW-UHFFFAOYSA-N 315.804 3.949 0 40 DHAB CC[C@H](C)c1ccc(N[C@H](C)C(=O)Nc2cc(C)on2)cc1 9368115 GPGXXEQUWIPAQP-WCQYABFASA-N 301.390 3.936 0 40 DHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 10448344 XVVWMGCJLPIPIK-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB Cc1csc2nc(CNc3ccccc3C(C)C)cc(=O)n12 11621725 SSCCGQCFOSJGIU-UHFFFAOYSA-N 313.426 3.800 0 40 DHAB COc1ccc(NC(=S)Nc2cc(-c3ccccc3)n[nH]2)cc1 12420978 ZDAYKDLZRDRVBL-UHFFFAOYSA-N 324.409 3.894 0 40 DHAB Cc1ccc2nc(NC(=O)c3n[nH]c4ccccc34)sc2c1 12535728 JYXXMWMFLKTGGM-UHFFFAOYSA-N 308.366 3.733 0 40 DHAB CCOC(=O)c1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 12655202 APNIURAZRGQPNX-UHFFFAOYSA-N 324.336 3.589 0 40 DHAB C[C@H]1CCC[C@@H](C)N1NC(=O)Cc1c(Cl)cccc1Cl 12913697 MYPAZEIBOAACEA-PHIMTYICSA-N 315.244 3.830 0 40 DHAB O=C(CC1CCCC1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19014576 CUKQJGPIYDFRBA-OAHLLOKOSA-N 317.433 3.623 0 40 DHAB O=C(Nc1ccccc1Br)c1ccc(F)c(F)c1 19484442 GXLDTCOFJPWKDY-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CSc1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1 22391094 RTQZMZPYHMIPHR-UHFFFAOYSA-N 315.394 3.822 0 40 DHAB CN(C)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 25329756 YQYISKFWOAWNPE-CQSZACIVSA-N 314.410 3.527 0 40 DHAB Cc1n[nH]c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1 27756451 CRJVLYWMFKVJPG-UHFFFAOYSA-N 303.431 3.881 0 40 DHAB CC(C)c1cc(/C=C2/SC(=O)NC2=O)cc(C(C)C)c1O 38148023 PJHWHESCEXNAHD-NTUHNPAUSA-N 305.399 3.963 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 40540600 PXJLHHSUDAQXBW-GFCCVEGCSA-N 305.378 3.519 0 40 DHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cccc(OC)c1 40945945 PJNXOXHUIVGKIQ-HUUCEWRRSA-N 307.434 3.795 0 40 DHAB CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)c3cccs3)C2)n1 41122612 FANSAYKBMSBJSJ-NEPJUHHUSA-N 319.430 3.664 0 40 DHAB CC[C@@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2C(C)C 44892138 ZDFDCKFVDZPVBO-CQSZACIVSA-N 314.433 3.725 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)N1CC[C@H]1c1ccccc1 45376838 WTPSBHSUXMVVRQ-SFHVURJKSA-N 306.409 3.875 0 40 DHAB CC(C)COc1ccc(NC(=O)C[C@H]2CCCO2)cc1Cl 47088304 FWCKDYLTXPZKLM-CYBMUJFWSA-N 311.809 3.882 0 40 DHAB O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)N1CCCC1 47515249 QOKPPVJDQKVEGD-AWEZNQCLSA-N 313.401 3.609 0 40 DHAB Cc1nsc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)n1 55211934 FRCOCENMGUAHGK-ZDUSSCGKSA-N 320.393 3.745 0 40 DHAB O=C(O)c1cccc(Sc2cccc(Br)c2)n1 55306597 YBXNVLMOGCIQDQ-UHFFFAOYSA-N 310.172 3.694 0 40 DHAB in-vitro CSCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 57084204 CCAGEYAZDMBBNZ-CQSZACIVSA-N 311.859 3.970 0 40 DHAB Cc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1 59294470 DBKHCMFROLXXDT-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@@H]1c1cccc(F)c1 69751288 ACZJFHCHKAIFIY-HUUCEWRRSA-N 316.401 3.580 0 40 DHAB Fc1cc(F)cc(NC(=S)Nc2ccc3c(c2)OCO3)c1 71760986 WWUSWRPQWPFGRR-UHFFFAOYSA-N 308.309 3.502 0 40 DHAB c1csc(-c2nc(CN3CCO[C@@H]4CCCC[C@@H]43)co2)c1 71810982 FSQVYMGPENJHLL-UONOGXRCSA-N 304.415 3.547 0 40 DHAB C[C@@H](OC(=O)c1cc2c(s1)CCC2)c1ccc2c(c1)OCO2 71825168 LHRGSLYILLRHPB-SNVBAGLBSA-N 316.378 3.884 0 40 DHAB Cc1csc([C@H]2CCCN(C(=O)CC[C@@H]3CCCCO3)C2)n1 72298762 IAHFYGUCOZCAKB-GJZGRUSLSA-N 322.474 3.507 0 40 DHAB Cc1cccn2cc(C[S@@](=O)C/C=C/c3ccccc3)nc12 83943905 FYNFUAUUVIODCR-MOVYNIQHSA-N 310.422 3.605 0 40 DHAB O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cc[nH]c2)CC1 93440812 NTGACIBCEJQUMT-UHFFFAOYSA-N 322.330 3.527 0 40 DHAB COc1cc([C@H](C)N[C@@H](C)C2CCOCC2)ccc1OC(C)C 95419743 GAMVHCYTLYWFPN-GJZGRUSLSA-N 321.461 3.948 0 40 DHAB CC(C)(C)Oc1ccc(C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 95633974 YMVQPYIMCZAIHK-GJZGRUSLSA-N 302.370 3.714 0 40 DHAB CC[C@@](C)(NC(=O)CCc1cccc(F)c1)c1nccs1 96416599 SOWVYHDKQXJLDM-MRXNPFEDSA-N 306.406 3.656 0 40 DHAB Cc1ccccc1N1C(=O)C[C@H](c2c[nH]c3ccccc23)C1=O 96901464 ALSBLGNLDWLSQW-CQSZACIVSA-N 304.349 3.523 0 40 DHAB C[C@@H](Nc1ccccc1OCc1cscn1)C1CCOCC1 97045937 QHBMJTZBBMQXIE-CYBMUJFWSA-N 318.442 3.949 0 40 DHAB FC(F)(F)c1ccc(Br)nc1Br 98177610 USODCHBLRDXQHH-UHFFFAOYSA-N 304.891 3.625 0 40 DHAB Cn1/c(=N\C(=O)c2ccc(Cl)s2)sc2ccccc21 100811316 XQWGDUPFSXTRLC-FYWRMAATSA-N 308.815 3.696 0 40 DHAB Clc1ccccc1[C@@H]1C=C(c2ccccc2)Nc2ncnn21 100817356 IFKOAKBIMFPUFV-INIZCTEOSA-N 308.772 3.988 0 40 DHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2nccs2)C1 103949826 KINLQQNSJIOMSJ-ZDUSSCGKSA-N 311.410 3.644 0 40 DHAB CC1=C(C)C[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2C1 104807896 GXHXVDZFPOWLBO-BETUJISGSA-N 303.789 3.884 0 40 DHAB CCCOCc1cc(C(=O)NC2CCCCC2)ccc1OC 224410404 UQUORFNVHFVSLS-UHFFFAOYSA-N 305.418 3.684 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2C)cc1 224687460 LAFNGEWFTLSFHU-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1ccc(C(=O)OCC)cc1C 225383119 RCLYZCGVNZYESA-GFCCVEGCSA-N 308.447 3.647 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSC2CCCC2)c1 225797046 XPSSORXSMRYBCY-OAHLLOKOSA-N 321.486 3.863 0 40 DHAB CC(C)NC(=S)Nc1nc(Cl)cc(Oc2ccccc2)n1 225890536 JOSMQJFOERGMON-UHFFFAOYSA-N 322.821 3.617 0 40 DHAB CCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225894314 HXNLOKWSACEETL-GOSISDBHSA-N 322.449 3.959 0 40 DHAB Cc1cc(N)c(NC(=O)CSc2ccccc2)cc1Cl 226359546 KZFZJOMUUHRQFV-UHFFFAOYSA-N 306.818 3.961 0 40 DHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251221234 MZOINQQNPFQCNL-CWLKWCNXSA-N 301.430 3.766 0 40 DHAB CCN(C)[C@H](c1ccccc1)c1nc(-c2ccccc2OC)no1 252488064 IILZNBPLLXKCBV-QGZVFWFLSA-N 323.396 3.786 0 40 DHAB Cc1nc(CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cs1 273521813 QCSRRYQAHSRCJZ-SJORKVTESA-N 320.433 3.943 0 40 DHAB C[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(C)(C)C 523714520 HJUXWAOBPZVPFA-VIFPVBQESA-N 320.414 3.688 0 40 DHAB Cc1cnc(OC2CCN(Cc3ccc(Cl)s3)CC2)nc1 653800556 NORYVRYVRVVRLQ-UHFFFAOYSA-N 323.849 3.543 0 40 DHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC 141069 QHAJECZNKUFMKU-UHFFFAOYSA-N 303.383 3.940 0 40 DHAB O=C1Nc2ccc(Cl)cc2C(=O)[C@@]1(Cl)c1ccccc1 162370 NIGZEFRLLLMFTN-HNNXBMFYSA-N 306.148 3.609 0 40 DHAB O[C@@H](c1ccccc1)c1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 382805 AHBSFBQHTBVUMG-NQIIRXRSSA-N 318.420 3.704 0 40 DHAB Cc1cccc(NC(=O)Cn2c(C)cc(=O)c3cccc(C)c32)c1 552275 HJTDCWCLADCBGE-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB O=c1c2ccc(Cl)cc2nc(-c2ccc(Cl)cc2)n1O 1401798 QISSUAOUGWMPDJ-UHFFFAOYSA-N 307.136 3.608 0 40 DHAB COC(=O)c1ccccc1NC(=O)Nc1ccccc1Cl 1640192 PNTPKLXMSREQCV-UHFFFAOYSA-N 304.733 3.771 0 40 DHAB Cc1noc(C)c1COc1cccc(C(=O)NC2CCCC2)c1 2638701 MQPPKDAJCUPICL-UHFFFAOYSA-N 314.385 3.543 0 40 DHAB Cc1cccc(CN2CCC(N3C[C@H](C)C[C@@H](C)C3)CC2)c1 2734820 IKWJPDFXHXSQPP-QZTJIDSGSA-N 300.490 3.937 0 40 DHAB CCn1cc(-c2nnc(Cc3ccc(Cl)cc3)o2)c(C)n1 2803048 VSTZPMMDTDLDTJ-UHFFFAOYSA-N 302.765 3.506 0 40 DHAB COc1ccc(NC(=O)CSc2ccccc2F)cc1OC 3473731 QUXZSLPDVRCSQR-UHFFFAOYSA-N 321.373 3.574 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1C 3581173 SDUQTFVVWCVVOO-UHFFFAOYSA-N 301.411 3.593 0 40 DHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C 3999251 ARHZHRUTGKCDRK-PYIJOLGTSA-N 315.457 3.651 0 40 DHAB Cc1c(C(=O)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1C 4062545 SQXLLPZXMMOGMS-ZDUSSCGKSA-N 320.392 3.547 0 40 DHAB CC(C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O 4668676 NGOKOWPRKNLGIS-JLHYYAGUSA-N 320.414 3.715 0 40 DHAB O=c1oc(/C=C/c2ccco2)nc2ccc(Br)cc12 4695688 VTJGCKGPZPZHLQ-GQCTYLIASA-N 318.126 3.714 0 40 DHAB CCc1cc2cc(C)ccc2nc1SCC(=O)N1CCCC1 4849319 UNQATVMMXVFBDX-UHFFFAOYSA-N 314.454 3.820 0 40 DHAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C(C)(C)C 5053903 AFIARJNTMLYXMX-UHFFFAOYSA-N 314.429 3.621 0 40 DHAB C[C@@H]1CCC/C(=C\c2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 5093583 YCVCNRICIFOLCB-TWWDRGBLSA-N 317.820 3.566 0 40 DHAB Cc1ccc(C)c(NC(=O)C[C@H](Cc2ccccc2)C(=O)O)c1 5744913 UQQQUOPKAOSXDB-INIZCTEOSA-N 311.381 3.576 0 40 DHAB c1cncc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)c1 6000412 VBIYKUSVBNBUEY-UHFFFAOYSA-N 302.337 3.599 0 40 DHAB O=C(CCC(=O)c1cccs1)NCc1cccc(Cl)c1 10109651 QOTXCHREIVLLST-UHFFFAOYSA-N 307.802 3.681 0 40 DHAB COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)O 13171824 OVJVSZMBLFOKHV-UHFFFAOYSA-N 311.765 3.566 0 40 DHAB CCC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@H]2[C@H]1c1ccco1 13752246 OFOXTMOYXZXIJT-IGNZVWTISA-N 315.344 3.994 0 40 DHAB CC(C)CNC(=S)Nc1ccc(Br)cc1F 13788511 ZTJLNKZTDQYDBP-UHFFFAOYSA-N 305.216 3.531 0 40 DHAB CN(Cc1ccco1)Cc1nc(-c2ccccc2Cl)no1 16381143 RCKJBSLLFAOXKC-UHFFFAOYSA-N 303.749 3.615 0 40 DHAB O=C1c2ccccc2C(=O)N1CCCSC1CCCCC1 16524343 CRPUIMYHVPFLCY-UHFFFAOYSA-N 303.427 3.739 0 40 DHAB CCC1CCC2(CC1)NC(=S)N(c1ccc(Cl)cc1)N2 18106157 VDMQEYPKTMKDTH-UHFFFAOYSA-N 309.866 3.836 0 40 DHAB Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 19427221 YSPVGBUPECVFLV-UHFFFAOYSA-N 307.122 3.979 0 40 DHAB in-vitro CCOc1ccc(CC(=O)NCC2(c3cccs3)CC2)cc1 22680090 DPSGRIUHYINTDS-UHFFFAOYSA-N 315.438 3.537 0 40 DHAB Cc1nccn1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 28245130 BJYXWUFILFJLLD-RTBURBONSA-N 317.392 3.923 0 40 DHAB C[C@@H](C(=O)N[C@H](c1ccccc1)C1CC1)n1cnc2ccccc21 30603593 MYYIVYQPSASZMM-IFXJQAMLSA-N 319.408 3.865 0 40 DHAB CCCNc1nnc(SCc2cn3cccc(C)c3n2)s1 30957427 WDBOZRIJRYKYQA-UHFFFAOYSA-N 319.459 3.608 0 40 DHAB COc1ccc([C@@H](C)NCc2nc3ccccc3o2)cc1F 32806022 ZQHOETVXFGRVIK-LLVKDONJSA-N 300.333 3.826 0 40 DHAB CC(C)Cc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2)cc1 40017887 XNARDKRWPUOOMJ-OAHLLOKOSA-N 310.441 3.835 0 40 DHAB COc1ccc([C@H](O)c2ccc(Br)cc2)c(C)c1 40246002 BZNVVEIUBGUOFV-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB CCc1ccc(OCC(=O)Nc2c(C)cc(N)cc2CC)cc1 45890080 OTCQNNKFWIAQGP-UHFFFAOYSA-N 312.413 3.720 0 40 DHAB Cc1ccc(OC2CCN(C(=O)c3ccccc3F)CC2)cc1 49706449 WCXDOBKAKZPSHM-UHFFFAOYSA-N 313.372 3.818 0 40 DHAB CC(=O)c1ccc(N2CCN(CC3CCCCC3)CC2)c(F)c1 52686894 BQILUZIZBSXTCR-UHFFFAOYSA-N 318.436 3.731 0 40 DHAB CC(C)Cc1nc(C(=O)N2CCc3ccccc3C2)cs1 63635903 FFFMOCHGJISMMD-UHFFFAOYSA-N 300.427 3.540 0 40 DHAB CCn1c(C)cc(C(=O)N[C@H](C)c2sc(C)nc2C)c1C 65554348 FREOUYAJSOTERS-LLVKDONJSA-N 305.447 3.689 0 40 DHAB Cc1cnn([C@H](C)[C@@H](C)NCc2csc(-c3ccco3)n2)c1 69459501 SNNDGHRGBAERMJ-CHWSQXEVSA-N 316.430 3.647 0 40 DHAB CCn1ncc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)c1C 71282576 JIDUVWUZMNJVSM-ZDUSSCGKSA-N 313.405 3.647 0 40 DHAB CC(C)(C)OC(=O)N1C=C(C(=O)O)[C@H](c2ccc(Cl)cc2)C1 71621926 DRFIEAMQJRVINN-LBPRGKRZSA-N 323.776 3.643 0 40 DHAB Cc1cc(C)cc([C@H](C)NC(=O)N(C)Cc2c(C)noc2C)c1 71885971 UMGBGKGTQJGAFA-ZDUSSCGKSA-N 315.417 3.811 0 40 DHAB CCOc1ccccc1-c1nnc(SCCCSC)o1 71922123 TVHXIMNIBUNGJL-UHFFFAOYSA-N 310.444 3.981 0 40 DHAB Cc1ccc(CCC(=O)N(CC(F)(F)F)c2ccccn2)cc1 72280611 SMIIWIZIQGFDPD-UHFFFAOYSA-N 322.330 3.918 0 40 DHAB Cc1ccc(C(=O)N(C)[C@H](C)c2ccc3ccccc3c2)c(=O)[nH]1 75122461 TZAKPFSPAPMQLZ-CQSZACIVSA-N 320.392 3.670 0 40 DHAB CSc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)o1 78996562 RMSDLLWPPJLRPM-WFASDCNBSA-N 317.410 3.604 0 40 DHAB CC(C)n1ccc2ccc(C(=O)NCCc3ccccn3)cc21 79494829 ZYJKSSDZTSKBOJ-UHFFFAOYSA-N 307.397 3.590 0 40 DHAB Cc1cnc(C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)cn1 84258152 LRYAFZKTQMSOBF-OLZOCXBDSA-N 317.820 3.703 0 40 DHAB CC[C@@H](C(=O)NCc1nc(-c2ccccc2)c[nH]1)c1ccccc1 85557862 PWGZVNILWZBMCM-QGZVFWFLSA-N 319.408 3.887 0 40 DHAB N[C@H](c1ccc(Cl)cc1)c1n[nH]c(-c2ccc(Cl)cc2)n1 95533954 OYMTUGCDOCVIQE-CYBMUJFWSA-N 319.195 3.827 0 40 DHAB CS[C@@H]1CCC[C@@H](N[C@@H](Cc2ccncc2)C(F)(F)F)C1 95968144 LRSNBORFYNYHHL-MCIONIFRSA-N 318.408 3.819 0 40 DHAB CCCNC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 96407004 JJNYMJGXSQZHIR-QFIPXVFZSA-N 316.426 3.526 0 40 DHAB CC(C)n1ccnc1CN[C@H](C)c1ccccc1-n1cccn1 97230781 FXDJKKLGXPBPQA-OAHLLOKOSA-N 309.417 3.501 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2cccs2)on1)[C@@H]1C[C@H]2CC[C@H]1C2 103154325 PUSWQNOSDFODDA-VOAKCMCISA-N 316.426 3.958 0 40 DHAB CN(C(=O)Cc1cccc(Br)c1)c1ccccc1 144066666 MFDJUAPJTGLALA-UHFFFAOYSA-N 304.187 3.655 0 40 DHAB Cc1cccc(OCC(=O)NCc2cccc3ccccc23)c1 222891013 REDOMTDSSRREOD-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB CCc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 225042686 BKPCLRCJWHWFKY-INIZCTEOSA-N 304.773 3.977 0 40 DHAB CC(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1 225509125 FPJFPUAHQZRRLZ-UHFFFAOYSA-N 320.751 3.619 0 40 DHAB CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)c(N)c1 226346867 YBJSERKHMJGURJ-UHFFFAOYSA-N 304.777 3.502 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 252479732 BLQUQSCENCIJSW-WPRPVWTQSA-N 305.271 3.751 0 40 DHAB C=Cc1ccc(C(=O)[C@H](Br)CBr)cc1 382681414 BJQVDCQWBHKZPC-SNVBAGLBSA-N 318.008 3.671 0 40 DHAB COC(=O)c1ccc(C)c(-c2nc(-c3cccnc3)cs2)c1 514277810 CIPAVDAWESGSLW-UHFFFAOYSA-N 310.378 3.967 0 40 DHAB CCC(CC)n1ncc(C(=O)NCc2ccnc(Cl)c2)c1C 585088170 NORWOXUXGGNYBG-UHFFFAOYSA-N 320.824 3.531 0 40 DHAB O=C(NCc1nccs1)[C@@H](c1cccnc1)C1CCCCC1 585121310 LNNBEEQPHDEBQW-MRXNPFEDSA-N 315.442 3.518 0 40 DHAB Cc1cc(Nc2nccs2)nc([C@H]2CCCN(C(C)C)C2)n1 2037835920 KGJNVRWOTBDOMY-ZDUSSCGKSA-N 317.462 3.573 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2)cc1Br 54705 NNSHXSLVAWXCRS-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB COc1ccccc1OCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 525212 JHJULCXRUHSOCL-LIRRHRJNSA-N 317.429 3.501 0 40 DHAB CN(C)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2648678 NFYJOBIFPUKBDV-UHFFFAOYSA-N 324.302 3.904 0 40 DHAB c1ccc(Oc2ccc(Nc3ncnc4[nH]cnc34)cc2)cc1 2719594 WUNUMTMKMBPWTA-UHFFFAOYSA-N 303.325 3.889 0 40 DHAB Cc1ccc(-c2nc(NC(=O)CCC(=O)O)sc2C)c(C)c1 2755191 INHLOLQADVCCIS-UHFFFAOYSA-N 318.398 3.539 0 40 DHAB CCc1sc(C(=O)Nc2ccc(OC)cc2OC)cc1C 3344959 IIWVSUAMTJEIKL-UHFFFAOYSA-N 305.399 3.888 0 40 DHAB COc1ccc(NC(=O)CSCc2ccccc2)cc1OC 3601991 QLGSJVWZMFDOEL-UHFFFAOYSA-N 317.410 3.576 0 40 DHAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 4203377 KFNFWUMLKQDFKI-DLBZAZTESA-N 315.800 3.640 0 40 DHAB in-vitro C[C@@]12C[C@@H](NC(=S)N1c1ccccc1)c1cc(F)ccc1O2 4372191 MDMCCJKKIVUZSU-RHSMWYFYSA-N 314.385 3.760 0 40 DHAB CC1=NN(C(=O)OC(C)(C)C)[C@@](O)(c2ccc(Cl)cc2)C1 4503233 RAZMHLMRAJTTLA-HNNXBMFYSA-N 310.781 3.502 0 40 DHAB Cc1nc(-c2ccc(NC(=O)Cc3ccccc3)c(C)c2)no1 4742097 TUKMDPMQJXSXPS-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB Cc1ccc(CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 4746277 XVNNKHSGNCZNIR-LJQANCHMSA-N 314.473 3.610 0 40 DHAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](CCC)C2 5458347 MEROQHXWASDHQZ-NSHDSACASA-N 322.474 3.881 0 40 DHAB CCOc1ccc2nc(NC(=O)CC(F)(F)F)sc2c1 5874503 NCDNEELCKHILMF-UHFFFAOYSA-N 304.293 3.586 0 40 DHAB C[C@@H](Sc1nnnn1-c1ccccc1)c1ccc(F)cc1 5938115 BYKAMBZEIMQTEF-LLVKDONJSA-N 300.362 3.655 0 40 DHAB CCCCn1c(C)c(C)c2c1ncn1nc(-c3cccnc3)nc21 6719670 HUHDARKPDJLJQN-UHFFFAOYSA-N 320.400 3.558 0 40 DHAB COc1ccc(SCC(=O)Nc2ccc(F)cc2F)cc1 7134546 YEZYCQAQFHQKRU-UHFFFAOYSA-N 309.337 3.704 0 40 DHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)c(F)c1 7402714 GWVMSNKAXSJVJW-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1F 7755664 HTRQLFHNHSZEAI-LLVKDONJSA-N 307.752 3.563 0 40 DHAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 7770147 NXVGAFJFPLLDPH-DYVFJYSZSA-N 310.397 3.554 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1F 8041357 WDZZGIREWHPYSZ-CQSZACIVSA-N 303.333 3.630 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@@H](C)C1 8307324 CQUXPSSVNJRRNB-MBNYWOFBSA-N 308.853 3.953 0 40 DHAB CC(C)c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 8715050 PNMTYJUOHNQYTP-UHFFFAOYSA-N 312.320 3.995 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1 10061059 DLONOEWEFMPONW-UHFFFAOYSA-N 323.801 3.759 0 40 DHAB Cc1cccc(-n2[nH]c3nccc(-c4ccccc4)c3c2=O)c1 10157170 YXKWTPPLQPEYRJ-UHFFFAOYSA-N 301.349 3.689 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C 10213844 SBRKYEBEXAFTLN-JTQLQIEISA-N 318.804 3.979 0 40 DHAB CCC[C@H](NCc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 10436138 DBENSXQUUYTFGK-KRWDZBQOSA-N 323.440 3.508 0 40 DHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(F)cc(F)c1)C2 10491696 ZQCDAGMJKACYLA-HNNXBMFYSA-N 305.349 3.929 0 40 DHAB Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc1 12536461 SKZWUTRWTDIUSY-UHFFFAOYSA-N 316.360 3.873 0 40 DHAB O=C(NCc1ccccn1)c1cccc2c3c([nH]c12)CCCCC3 12538227 UUAKVJZNOTZLCA-UHFFFAOYSA-N 319.408 3.762 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1C 12790912 PAYRGPZQBXTLPV-GOEBONIOSA-N 304.434 3.594 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)c1cc2ccccc2cc1O 12822863 VCQHKJTUKDOZEM-UHFFFAOYSA-N 311.366 3.527 0 40 DHAB COc1ccc(CNC(=O)c2occc2-c2ccccc2)cc1 12974174 KTUICVSPMLDPMP-UHFFFAOYSA-N 307.349 3.885 0 40 DHAB Cc1c(C(=O)N[C@@H](CC(=O)O)c2ccccc2)oc2ccccc12 13224615 YPFHRFVADHJMIV-HNNXBMFYSA-N 323.348 3.687 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=S)[nH]c2ccccc21 13534374 MEQYQCQGGGIXEB-LBPRGKRZSA-N 323.421 3.677 0 40 DHAB C/C=C/c1ccc(OCC(=O)N2CCc3ccccc32)c(OC)c1 15563455 IZIHTSPXZSZYCJ-ZZXKWVIFSA-N 323.392 3.696 0 40 DHAB CCOc1ccc(OCCNC(=O)c2cccc(Cl)c2)cc1 19615528 IIBIPXMJKOZRSJ-UHFFFAOYSA-N 319.788 3.548 0 40 DHAB Cc1cc(CN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c(C)n1C(C)C 23673475 POCGPUUYGAXVLS-IFXJQAMLSA-N 316.445 3.603 0 40 DHAB CCc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)sc1C 23750705 FXOHNGAVFDKFJI-UHFFFAOYSA-N 317.410 3.620 0 40 DHAB Cc1ccc(S(=O)(=O)Oc2cccc(F)c2)c(Cl)c1 25365315 WPMWAKPVPRSQCP-UHFFFAOYSA-N 300.738 3.555 0 40 DHAB C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)[C@H]1CCCO1 27901465 SJQYTODHNILQKC-IINYFYTJSA-N 316.228 3.610 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)/C=C\c1ccc2c(c1)OCO2 33436743 BKHOZTACONAJEC-KUGGDMIFSA-N 323.392 3.566 0 40 DHAB Cc1ccsc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C 36350657 BKOPJBCEBQATJP-CQSZACIVSA-N 322.861 3.743 0 40 DHAB CCCNC(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccc(C)cc1 36395704 XYCGMCBKDQUHGV-LPHOPBHVSA-N 310.441 3.589 0 40 DHAB Cc1cnc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)s1 40129154 SWZGGTXENSUOBW-UHFFFAOYSA-N 316.304 3.531 0 40 DHAB C[C@H](CNC(=O)c1ccccc1F)Oc1ccc(Cl)cc1 41155703 LSCRYKVMPMRUPS-LLVKDONJSA-N 307.752 3.676 0 40 DHAB CN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 45251772 PGEUALTUMPZTPH-UHFFFAOYSA-N 310.328 3.753 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)no2)cc1OC 46086095 OVRFGHKXWVYWML-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1Cl 48278707 DPLMJWGPVDJUFP-YPMHNXCESA-N 301.839 3.587 0 40 DHAB COc1ccc(NC(=O)NCc2ccco2)c(C(F)(F)F)c1 48550232 VLZNKUCRCSVESU-UHFFFAOYSA-N 314.263 3.629 0 40 DHAB Cc1noc(C(C)C)c1C(=O)NCc1cccc(OC(F)F)c1 50378402 HQMRXTHQFMKSQN-UHFFFAOYSA-N 324.327 3.638 0 40 DHAB CN(Cc1csc(-c2ncccn2)n1)C1CCCCCC1 51284675 CBPKQCZVERRWRS-UHFFFAOYSA-N 302.447 3.755 0 40 DHAB Cc1cc2c(cc1C(=O)Nc1ccccc1F)OCCCO2 65315014 OPYFSSIGVVODTH-UHFFFAOYSA-N 301.317 3.548 0 40 DHAB CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 68425784 LZWWYQRGRBBGBX-KRWDZBQOSA-N 324.424 3.859 0 40 DHAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)c1ccco1 69533370 USALSCISCPVDLZ-CQSZACIVSA-N 311.385 3.965 0 40 DHAB CCOc1ccc(-c2nnc(-c3cnc4onc(C)c4c3)o2)cc1 69737198 QUESANKWPNDEMH-UHFFFAOYSA-N 322.324 3.647 0 40 DHAB CCOC(=O)c1cc2cc(C)ccc2n1C(=O)OC(C)(C)C 71863865 GTUBBFJXLFYUAS-UHFFFAOYSA-N 303.358 3.910 0 40 DHAB FC(F)n1ccnc1CSc1ncccc1Br 71914330 OPRLLOREGZGPDJ-UHFFFAOYSA-N 320.162 3.728 0 40 DHAB CCOc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2occc12 72240134 WXICOQBEYFEUDZ-STQMWFEESA-N 301.386 3.950 0 40 DHAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)[nH]1 75136808 UPARJFAPUDYVPW-CQSZACIVSA-N 305.381 3.700 0 40 DHAB Cc1cccn2cc(C[S@](=O)[C@H](C)c3cccs3)nc12 79053193 IWDPCBFQZWROMG-MPBGBICISA-N 304.440 3.714 0 40 DHAB Cc1cccnc1[C@@H](NC(=O)Cc1noc2ccccc12)C(C)C 79358165 NXFJRDNCWQFFHL-SFHVURJKSA-N 323.396 3.587 0 40 DHAB Cc1cnn(-c2ccccc2)c1NC(=O)Cc1cccc(F)c1 84563841 QTPYCBKGXNACOL-UHFFFAOYSA-N 309.344 3.501 0 40 DHAB CSc1ccc(O[C@@H](C)C(=O)Nc2ccncc2C)cc1 96419274 FVXHLUJCWXWMTF-LBPRGKRZSA-N 302.399 3.518 0 40 DHAB Cc1cc(COc2ccc(N(C)C(=O)OC(C)(C)C)cc2)on1 96429046 KDDZUHSNUDCVQM-UHFFFAOYSA-N 318.373 3.933 0 40 DHAB CC(C)C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccccn1 110704190 HRWWUTPLMCKERL-SZMVWBNQSA-N 320.502 3.813 0 40 DHAB COC(=O)Nc1cccc(N[C@H](c2ccccc2)c2ncc[nH]2)c1 128536296 GMMOWZUZDQZJEW-MRXNPFEDSA-N 322.368 3.790 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)NC1CCCCCC1 224012437 WKHYWGZODWUDOF-UHFFFAOYSA-N 301.430 3.783 0 40 DHAB Cc1ccc(CN(C)C(=O)Cc2ccc(Cl)cc2F)cc1 224702814 WWVBKJHUMQWYCM-UHFFFAOYSA-N 305.780 3.989 0 40 DHAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(F)c(F)c1 225783094 RUQPLBZZMWNGFK-NSHDSACASA-N 322.380 3.719 0 40 DHAB CCc1nc2cc(C(=O)N(C)c3ccc(F)cc3)ccc2n1C 225895327 HWGHJKHLDAYVKI-UHFFFAOYSA-N 311.360 3.551 0 40 DHAB C[C@@H]1Cc2cc(Cl)cc(C(=O)NCCc3ccccc3)c2O1 252510434 ZKSBBBYPCWXRBS-GFCCVEGCSA-N 315.800 3.636 0 40 DHAB Cc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc1 408530907 SAPMYXHCPZULPA-UHFFFAOYSA-N 304.349 3.980 0 40 DHAB FC(F)n1cc(Br)c(COCCC(F)(F)F)n1 408715302 ARUUSBPEHMXBMG-UHFFFAOYSA-N 323.059 3.510 0 40 DHAB CNC(=O)c1ccc(NC(=O)c2oc3cc(C)ccc3c2C)cc1 526052244 IVKGDNINWYJAMK-UHFFFAOYSA-N 322.364 3.662 0 40 DHAB CC(C)[C@@H]1N(C(=O)Nc2cnn(C(C)(C)C)c2)CC12CCC2 562411541 KIFVOGBOUFACFA-AWEZNQCLSA-N 304.438 3.681 0 40 DHAB COc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 249199 AGUXAQPCHXTNJN-UHFFFAOYSA-N 322.408 3.816 0 40 DHAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(Cl)cc1Cl 373232 FKFPKQTWJFTWBS-UHFFFAOYSA-N 304.173 3.823 0 40 DHAB C[C@H]1Oc2ccccc2C=C1/C=C1\N=C(c2ccccc2)OC1=O 1481436 CSAOVZIYSPZVLG-KAECEXQPSA-N 317.344 3.738 0 40 DHAB COc1cccc(COC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1OC 1711321 RENOGJSUOODSNX-GDBMZVCRSA-N 318.413 3.985 0 40 DHAB COc1cccc(NC(=S)Nc2ccc(OC)cc2OC)c1 2698121 PCEHBOUWSYPEIH-UHFFFAOYSA-N 318.398 3.521 0 40 DHAB CCCN(CCC)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 3164816 HOGOBLWZJBGFCX-QGZVFWFLSA-N 307.478 3.846 0 40 DHAB Cc1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1C 4163687 QTKSJZJWWZSCPR-UHFFFAOYSA-N 306.365 3.915 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nccnc2c1 4744763 GZAZINRCHQAMBI-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB CCCCOc1c(Br)cc(C=O)cc1OCC 5951561 BOJHYYDOHVOPPC-UHFFFAOYSA-N 301.180 3.839 0 40 DHAB CCCn1c(NC(=O)Cc2ccc(F)cc2)nc2ccccc21 6153920 GHMFZVAJGIDBQN-UHFFFAOYSA-N 311.360 3.767 0 40 DHAB O=C(NCc1ccccc1F)c1ccc(Br)cc1 6260705 HQOOGMOFLRJLQY-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB O=C(CCCC(=O)Nc1cccc(F)c1)Nc1cccc(F)c1 6331343 BQPBMBVRBYQFER-UHFFFAOYSA-N 318.323 3.712 0 40 DHAB Cc1ccccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 6504775 XZAOJJOJKAAPSK-UHFFFAOYSA-N 323.436 3.855 0 40 DHAB CC(C)(CO)NCc1cccc(OCc2ccccc2Cl)c1 6883170 RTAADYPCXKZXQI-UHFFFAOYSA-N 319.832 3.780 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2cccs2)c1C 7987530 UFUAEWLWWAIQNT-CYBMUJFWSA-N 316.426 3.873 0 40 DHAB [O-][n+]1ccccc1Oc1ncnc2sc(-c3ccccc3)cc12 8063577 KRXRSDDVIZKBMQ-UHFFFAOYSA-N 321.361 3.784 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1SC 8479120 ANJAQAXCJSCEKJ-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccnc1Cl 9064361 ZHHZEDBITRANIV-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2ccccc2s1 9313669 DSZNNXPJQRUMBY-UONOGXRCSA-N 316.426 3.529 0 40 DHAB O=C(NCCCN1CCCCC1)c1ccc(Cl)cc1Cl 10276768 PNWPGOSRVXSTKY-UHFFFAOYSA-N 315.244 3.599 0 40 DHAB Cc1ccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)nc1 10429870 TZTHTILUMWRKLF-UHFFFAOYSA-N 312.760 3.686 0 40 DHAB COc1cc(C)c(NC(=O)c2ccc(C)c(F)c2)cc1OC 11647894 PTUPQDOGMXWWDP-UHFFFAOYSA-N 303.333 3.712 0 40 DHAB CCc1nn2c(O)c(Cl)c(C)nc2c1-c1ccc(F)cc1 12115654 NTIGTYNMWQCPCG-UHFFFAOYSA-N 305.740 3.765 0 40 DHAB CCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 14258036 ZZYVHCSNKBCDTL-UHFFFAOYSA-N 306.387 3.566 0 40 DHAB Cc1c(O)ccc2c(CN(C)C3CCCCC3)cc(=O)oc12 16445607 DBBIDPOPGNCGRF-UHFFFAOYSA-N 301.386 3.572 0 40 DHAB Cc1cc2cc(CNC(=O)/C=C\c3ccccc3)ccc2n1C 17025729 ZUHSEOYZYKBKKU-LUAWRHEFSA-N 304.393 3.816 0 40 DHAB Cc1ccc(-c2cc([C@H]3CCN(C(=O)CC(C)C)C3)[nH]n2)cc1 19212074 JOACQPVJLDISMP-INIZCTEOSA-N 311.429 3.747 0 40 DHAB Nc1nc(-c2ccccc2)c(NC(=O)Cc2ccccc2)s1 19861517 BCHCGQWDCNHJNQ-UHFFFAOYSA-N 309.394 3.574 0 40 DHAB COc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 20041316 KRODVNHFWJWRBD-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB CCCc1cc(C(=O)N2CCN(C3CCCCC3)CC2)cs1 20595808 HSSVPCVIWOOLAM-UHFFFAOYSA-N 320.502 3.791 0 40 DHAB CC(=O)N(Cc1ccco1)c1nc2c(F)cc(F)cc2s1 22897356 JPKRTHIKOCMIMR-UHFFFAOYSA-N 308.309 3.721 0 40 DHAB COc1cccc(NC(=O)CSCc2ccccc2F)c1 23410840 DSALQKVMQAYXLA-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB Cc1ccc(Cn2nccc2NC(=O)c2cccc(F)c2)cc1 24830092 DKQDSSAOLLTCPU-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB CONC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 25825210 RHKPJHSFCHDHQE-UHFFFAOYSA-N 311.259 3.789 0 40 DHAB Cc1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 25839138 KDNAGFMVWRBFPI-UHFFFAOYSA-N 319.408 3.891 0 40 DHAB Cc1noc(C)c1COc1ccc(C(=O)NC2CCCC2)cc1 26564093 UZOPNDHKYKLOEE-UHFFFAOYSA-N 314.385 3.543 0 40 DHAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1ccco1 28229597 WJNPRUVUWSTTLP-UHFFFAOYSA-N 313.332 3.533 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCc2ccccc2)c1 30864784 CAQJZSHITCTCEL-KRWDZBQOSA-N 311.425 3.738 0 40 DHAB Cc1cccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1C 32899074 DIKKAYQHAGQAIM-UHFFFAOYSA-N 324.424 3.828 0 40 DHAB CC(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 42207308 DFXSKRGTDMCXEU-DZGCQCFKSA-N 314.351 3.856 0 40 DHAB CCc1noc(CN(C)Cc2ccc(Cl)cc2Cl)n1 58596114 DRLAPNYVZXLUJA-UHFFFAOYSA-N 300.189 3.571 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)C1=NO[C@@H](c2ccccc2)C1 59423548 KPEFFKBCWXNPFZ-LJQANCHMSA-N 322.408 3.941 0 40 DHAB Fc1ccc(CC2CCN(Cc3nnc(C4CC4)o3)CC2)cc1 60356353 CTQXNRQNLUEJLV-UHFFFAOYSA-N 315.392 3.541 0 40 DHAB CC(C)(C)c1cnc(CN(Cc2ccccc2)Cc2cc[nH]n2)o1 65487737 UMNKOLJKZXAFQE-UHFFFAOYSA-N 324.428 3.898 0 40 DHAB O=C(c1cc2ccccc2[nH]c1=O)N1CCCCc2ccccc21 69441757 USKOPSOJLKEZGE-UHFFFAOYSA-N 318.376 3.511 0 40 DHAB Cc1nc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cs1 71884563 PCCJGIDLUWOGGR-UONOGXRCSA-N 306.818 3.525 0 40 DHAB C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1Cl 72230383 FJALTBSYZVTGGJ-GFCCVEGCSA-N 315.866 3.901 0 40 DHAB CC[C@@H](NC(=O)N(C)CCc1cccs1)c1nccs1 74365513 UAMUTYFEFWIJEU-GFCCVEGCSA-N 309.460 3.540 0 40 DHAB CSC[C@H](C(=O)Oc1ccc2[nH]ncc2c1)c1ccccc1 75092197 OOQOMHWUUOLFAQ-HNNXBMFYSA-N 312.394 3.615 0 40 DHAB Cc1ncsc1C(=O)N1CCSc2ccc(Cl)cc21 77616634 YXACFTDKJTXDEU-UHFFFAOYSA-N 310.831 3.857 0 40 DHAB CCOc1ccc(N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1C 79029958 DSSWFQAFGNPBDW-ZDUSSCGKSA-N 323.396 3.803 0 40 DHAB Cc1nc(C2CCC2)nn1Cc1ccc(Br)c(F)c1 89718056 UWIYYBUFLVQDDL-UHFFFAOYSA-N 324.197 3.804 0 40 DHAB O=C(Nc1ccc(CCO)cc1)[C@@H]1CCCC[C@@H]1C(F)(F)F 89787512 CGUALFYHKKBPFU-KGLIPLIRSA-N 315.335 3.529 0 40 DHAB O=C(c1ccc2[nH]ccc2c1)N1CCc2c([nH]c3ccccc23)C1 89915214 QZSPISJRUKOHAU-UHFFFAOYSA-N 315.376 3.848 0 40 DHAB biogenic Cc1ccc(CCC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)o1 95405754 CISYWUGJWSWHJQ-STQMWFEESA-N 303.324 3.758 0 40 DHAB CCc1ccc([C@@H](C)NCc2ccc(Cn3ccnc3)cc2)o1 95420171 BSVBVUXPNQJGPU-OAHLLOKOSA-N 309.413 3.938 0 40 DHAB COc1ccc(CN[C@@H](C)c2c(Cl)nc3ccccn23)cc1 95427008 KVSCEOOSKUCJMQ-LBPRGKRZSA-N 315.804 3.847 0 40 DHAB C[C@@H](N[C@H]1COc2ccccc2C1)c1occc1Br 95967516 SPGGGQJUHNQYGV-ZYHUDNBSSA-N 322.202 3.696 0 40 DHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 216275076 GPHWOOYZVHQWCO-OCCSQVGLSA-N 313.850 3.506 0 40 DHAB COc1ccc(-c2nnc(-c3c(C)nc4cc(C)ccn34)o2)cc1 216612163 MDSMIRMLTPQEQJ-UHFFFAOYSA-N 320.352 3.677 0 40 DHAB CC(C)Oc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 218983840 AEOYZZSHEJRBCB-UHFFFAOYSA-N 315.388 3.976 0 40 DHAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc2c(c1)CCC2 223244893 HYARHJXDNOSXIX-CYBMUJFWSA-N 313.372 3.571 0 40 DHAB O=C(Cc1cccc(Cl)c1)NCCc1ccc(Cl)cc1 225094834 WCPYYQQOWFJEIU-UHFFFAOYSA-N 308.208 3.895 0 40 DHAB CC(C)C(NC(=O)Cc1cccc(Br)c1)C(C)C 225613262 REEZBXHPMCPZEC-UHFFFAOYSA-N 312.251 3.788 0 40 DHAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)n1 225859311 TXDNIZPQOVOXAV-UHFFFAOYSA-N 310.397 3.849 0 40 DHAB CCC[n+]1cc(Br)cc(-c2nc3ccccc3o2)c1 226774749 HPTJDQAKJYGTFN-UHFFFAOYSA-N 318.194 3.955 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cccc2cccnc12 257217568 CZNSHKPJGGKWPB-INIZCTEOSA-N 320.396 3.634 0 40 DHAB CN(C(=O)CC1CCNCC1)c1ccc(-c2ccccc2)cc1 520584195 BNXHBQZJDBWHNR-UHFFFAOYSA-N 308.425 3.706 0 40 DHAB CC(C)OC1CCN(c2nc(-c3ccccc3)ns2)CC1 531152572 RRSXVMCEUGZUAB-UHFFFAOYSA-N 303.431 3.599 0 40 DHAB CCC[C@@]1(CO)CCN(Cc2csc(-c3ccccc3)n2)C1 585083939 PIPRHKGSFOJZBF-GOSISDBHSA-N 316.470 3.795 0 40 DHAB COc1ccc(-c2cc(N(C)Cc3cc(C4CC4)no3)n[nH]2)cc1 585094326 JOPCAIKSPUARRB-UHFFFAOYSA-N 324.384 3.587 0 40 DHAB CCCC[C@H](S[C@](CC)(C(C)=O)c1ccccc1)C(N)=O 1705163 SCPUGINXZWJRNA-DOTOQJQBSA-N 307.459 3.658 0 40 DHAB CC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 3200562 ZKZAGYAWABUULM-CYBMUJFWSA-N 308.333 3.816 0 40 DHAB COc1ccc(OCC(=O)OCc2c(F)cccc2Cl)cc1 3240967 XHZVGTIBKLBBBI-UHFFFAOYSA-N 324.735 3.610 0 40 DHAB O=C(COC(=O)c1ccccc1Cl)NCCC1=CCCCC1 3264490 RMBCQZZEGVIHST-UHFFFAOYSA-N 321.804 3.504 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 4476411 GVOPYDWCVPDXKU-UHFFFAOYSA-N 310.136 3.974 0 40 DHAB COc1ccc(CC(=O)N[C@H](C)CCCC(C)C)cc1OC 4690605 UDBNZDDWXWDRCZ-CQSZACIVSA-N 307.434 3.577 0 40 DHAB CCC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136286 FVELSSJQQSGFTI-UHFFFAOYSA-N 314.410 3.690 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1 5442887 LISCWQBCSFBDKX-FIIODCPWSA-N 307.393 3.902 0 40 DHAB COc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 6811298 DZCHARHAZRZVDL-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB Cc1cccc2sc(NC(=O)c3cccnc3Cl)nc12 7725227 GKCKYUVEBPEOAH-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB C[C@H](NC1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl 8038440 GBONJHDFOWMOHZ-VIFPVBQESA-N 301.217 3.853 0 40 DHAB CC[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C)on1 9049760 SNGRNBBZGAPWCA-GFCCVEGCSA-N 311.744 3.605 0 40 DHAB CC(C)[C@@H](NC(=O)Nc1ccn(C)n1)c1ccc(Cl)cc1 10585951 VSEPPCOLGXRFBT-CQSZACIVSA-N 306.797 3.592 0 40 DHAB O=C(NCCCOC1CCCCC1)c1cccc2cccnc12 11356021 VHOLEPQADJYCTN-UHFFFAOYSA-N 312.413 3.704 0 40 DHAB Cc1sc2nc([C@@H](C)Sc3ccccn3)[nH]c(=O)c2c1C 12532989 PIZHUGCRTUNGAB-SNVBAGLBSA-N 317.439 3.850 0 40 DHAB Cn1cccc1C(=O)c1cc2cc(Br)ccc2o1 12974739 HRHREDRCULRRER-UHFFFAOYSA-N 304.143 3.765 0 40 DHAB CCCc1ccc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)cc1 13249123 GPJIJSPPZGTVIV-QGZVFWFLSA-N 311.381 3.836 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 14398956 LDHFTGJBAJFCJH-IRXDYDNUSA-N 311.425 3.900 0 40 DHAB CN(Cc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 17115792 CNHJZDQUVSVMPC-UHFFFAOYSA-N 302.805 3.724 0 40 DHAB CC(C)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 17274245 UBSCVNYLKXPYEZ-UHFFFAOYSA-N 300.427 3.875 0 40 DHAB O=C(/C=C/c1cccs1)Nc1cccc(NC(=O)C2CC2)c1 24776648 NOXBGKPXSZHBST-CMDGGOBGSA-N 312.394 3.749 0 40 DHAB CC(C)CCCNC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 26146938 PSBWLVUEXZSJAU-HNNXBMFYSA-N 314.433 3.669 0 40 DHAB C[C@@H](Sc1ncc2ccccn12)C(=O)Nc1ccccc1F 26371925 XKJPVTIPKDWJKU-LLVKDONJSA-N 315.373 3.593 0 40 DHAB CC(C)CC(=O)Nc1ccc(-n2cc(Br)cn2)cc1 27918238 MYVPFOBQTTWIBV-UHFFFAOYSA-N 322.206 3.619 0 40 DHAB Cc1ccc(Cn2ccc(NC(=O)CCc3ccccc3)n2)cc1 27929494 LIURXIPFVKHQOW-UHFFFAOYSA-N 319.408 3.811 0 40 DHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cccc(F)c1 32817552 KKJQNDYXXPUFDK-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB CCc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 32914527 UVUYHXHHCXTILQ-AWEZNQCLSA-N 314.454 3.567 0 40 DHAB FC(F)(F)c1cccc(CSc2ncnc3nc[nH]c23)c1 33328701 GTVGINQLSNFIIQ-UHFFFAOYSA-N 310.304 3.664 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 36719055 BAVDNODZVWMWFS-LBPRGKRZSA-N 323.314 3.789 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1cccc(CN2CCCC2)c1 40086936 SMVKOWYDMAESRS-UHFFFAOYSA-N 312.388 3.603 0 40 DHAB Cn1nc(-c2cccs2)cc1C(=O)Nc1ccc(F)c(F)c1 42384132 PHATZGFCMHKJKY-UHFFFAOYSA-N 319.336 3.679 0 40 DHAB COc1cc(C)c(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1OC 44072647 URNSPFHYEIKXRF-NSHDSACASA-N 319.405 3.866 0 40 DHAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCN(C)C(=O)C1 44291282 XRUMROJXLWVEFR-AWEZNQCLSA-N 316.445 3.740 0 40 DHAB COc1ccc(-c2[nH]nc(C)c2CC(=O)Nc2ccccc2)cc1 44920334 GXUMECIOPLZAEB-UHFFFAOYSA-N 321.380 3.575 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)c1ccc(Cl)s1 46597816 PRSDEMAYEGURMX-QWRGUYRKSA-N 316.854 3.531 0 40 DHAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C[C@H]2C=CCC2)c1 47407344 AVBLKJSTJLCQIJ-LBPRGKRZSA-N 320.820 3.773 0 40 DHAB O=C(O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 49467054 RCGRXQNGMBUCQT-MRXNPFEDSA-N 313.397 3.566 0 40 DHAB Fc1ccc(-c2noc(-c3ccc[nH]3)n2)cc1Br 57351814 KNYGWJCZDIFUPF-UHFFFAOYSA-N 308.110 3.633 0 40 DHAB O=C(CN(Cc1ccccc1)CC1CCC1)NC1CCCCC1 60041858 ZPAYMKLKMLGCCV-UHFFFAOYSA-N 314.473 3.738 0 40 DHAB CSc1cccc(NC(=O)c2cc3ccccc3oc2=N)c1 67341946 BCZDVTKROAAGPO-UHFFFAOYSA-N 310.378 3.886 0 40 DHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C)nn1C 69351281 YAKUJQDOSZNSOC-SJORKVTESA-N 311.429 3.527 0 40 DHAB Cc1nn(C)c(C)c1/C=C1\SC(=O)N=C1Nc1ccccc1 71284504 SGXOOIWHLINPBM-ZROIWOOFSA-N 312.398 3.755 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 71761012 ZNKMENGEFBXTIV-UHFFFAOYSA-N 322.336 3.560 0 40 DHAB CCN1CCC[C@H]1CNC(=O)c1cc2c(ccc3ccccc32)[nH]1 71796257 MTAHNHWUQCRPBV-HNNXBMFYSA-N 321.424 3.535 0 40 DHAB CCC1(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CCC1 75107012 FOLOORZHAAUKON-INIZCTEOSA-N 303.402 3.763 0 40 DHAB COc1cccc(CNc2cc(C(=O)NC3CC3)ccc2C)c1 79171613 WAZHQLPAMLUSSY-UHFFFAOYSA-N 310.397 3.508 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CSCc2ccccn2)CC1 79440883 SBFREOPLLHVOFS-UHFFFAOYSA-N 322.474 3.962 0 40 DHAB Oc1ccccc1N1CCN([C@H]2CCCc3ccccc32)CC1 84581915 MKNFMOCABTYPHS-SFHVURJKSA-N 308.425 3.592 0 40 DHAB Cc1nc(S[C@H](C)c2cn(-c3ccccc3)nn2)oc1C 89558665 UFKDLWDOSSTLNJ-GFCCVEGCSA-N 300.387 3.725 0 40 DHAB C[C@H](NCCCC(=O)N1Cc2ccccc2C1)c1cccs1 89597120 IVCOSDLHXCLTQQ-AWEZNQCLSA-N 314.454 3.721 0 40 DHAB CCOc1ccc2ccccc2c1COC(=O)[C@@H]1CCO[C@@H]1C 92309401 TWYWSADOLPKJPC-UKRRQHHQSA-N 314.381 3.707 0 40 DHAB O=C(Nc1nnc(-c2ccco2)s1)N1CCC[C@H]1C1CCC1 95349272 RYGGNUXACOBNIC-NSHDSACASA-N 318.402 3.595 0 40 DHAB COCc1cc(C(=O)N(C)[C@H](C)c2ccc3ccccc3c2)no1 95403472 LJPZGHGKVYVRNG-CYBMUJFWSA-N 324.380 3.807 0 40 DHAB CCc1cccc(NC(=O)c2nnn(-c3ccccc3)c2CC)c1 96318788 FCZPDKFMYLWLOL-UHFFFAOYSA-N 320.396 3.644 0 40 DHAB COc1cc(C(=O)N(C)[C@@H](c2cccnc2)C(C)C)ccc1F 97228215 VUJMVKULVWJSFM-QGZVFWFLSA-N 316.376 3.699 0 40 DHAB CCOc1cc(Cl)ccc1C(=O)N(C)CCC(F)(F)F 97233622 NNIODFKSYMKPBA-UHFFFAOYSA-N 309.715 3.763 0 40 DHAB COc1cc(OC)cc([C@@H]2OC3=Nc4ccccc4NC3=C2O)c1 104240506 AZPZSQWVSNMPRW-KRWDZBQOSA-N 324.336 3.700 0 40 DHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2 107489095 RXEHSKKJKXPXAL-OVWQWFNUSA-N 300.446 3.905 0 40 DHAB O=C(NCC[C@@H](CCO)c1ccccc1)c1ccccc1Cl 206624794 PYWMDHCNDJXSDS-HNNXBMFYSA-N 317.816 3.626 0 40 DHAB COc1nc(C)c(NC(=O)Nc2ccc3ccccc3c2)c(C)n1 206720656 SQOVGXLLTHFYBN-UHFFFAOYSA-N 322.368 3.899 0 40 DHAB CCOc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1 216957695 PTWSLODKWISVHV-UHFFFAOYSA-N 307.349 3.849 0 40 DHAB O=C(Nc1ccccc1F)c1cnc(-c2ccc(F)cc2)nc1 222612288 YHPWJWRREDPUBU-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB CCC[C@H](C(=O)O)N1c2c(OC)cccc2C(C)=CC1(C)C 223216131 YIJSTUILMPTRNE-CQSZACIVSA-N 303.402 3.950 0 40 DHAB CCc1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1 225164934 KIPFDAAIVQFKML-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB CCCOc1ccccc1CCCNC(=O)Cc1cccs1 225690218 RCDZBFIYUHSLPJ-UHFFFAOYSA-N 317.454 3.828 0 40 DHAB CCOc1ccc(NC(=O)c2ccc3c(c2)nc(CC)n3C)cc1 225896804 BGTSQEIEMYPAKP-UHFFFAOYSA-N 323.396 3.787 0 40 DHAB CCc1noc2ncc(C(=O)NCC(C)(C)C3CCCC3)cc12 510072754 RASFGOKEGOHFPX-UHFFFAOYSA-N 315.417 3.731 0 40 DHAB CC(C)(C)C[C@@H]1CCN(C(=O)c2cnc(O)c3ccccc23)C1 569313233 NRNPMDHCZJRGGT-ZDUSSCGKSA-N 312.413 3.839 0 40 DHAB CN1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 585100614 QASWQTOAYJNRLG-KRWDZBQOSA-N 324.827 3.570 0 40 DHAB CNCc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1 669369890 OBIXMQMEZUNJMD-UHFFFAOYSA-N 304.434 3.521 0 40 DHAB CC(C)CCNC(=O)C1CCN(C[C@@H](C)c2ccccc2)CC1 299508 WNLSSWLTXDZNLA-QGZVFWFLSA-N 316.489 3.664 0 40 DHAB CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc12 314085 OQQQBVMMAFNRHE-UHFFFAOYSA-N 313.353 3.776 0 40 DHAB biogenic Cc1ccccc1NC(=S)NC(=O)/C=C/c1cccs1 362947 MZBSMFCTJMDZNA-CMDGGOBGSA-N 302.424 3.583 0 40 DHAB COc1ccc(NC(=O)Cc2c(F)cccc2Cl)c(OC)c1 367299 JYDCVABDMDDBJW-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB O=c1c2cc(F)ccc2nc(S)n1Cc1cccc(Cl)c1 424945 KAXLDLLEWBDJSL-UHFFFAOYSA-N 320.776 3.526 0 40 DHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 568342 LOODLFDTQNWEFT-UHFFFAOYSA-N 310.136 3.974 0 40 DHAB CCCCc1ccc(NC(=O)CSc2ncccn2)cc1 2582776 TWHLMIFTNUTGER-UHFFFAOYSA-N 301.415 3.550 0 40 DHAB C[C@H](Cc1cccs1)NC(=O)c1ccccc1Br 3211554 MHBQEYVCDVIZNI-SNVBAGLBSA-N 324.243 3.872 0 40 DHAB CN(CC(=O)Nc1ccccc1Cl)Cc1cccc(F)c1 3323135 FFINMHVHKNEZQP-UHFFFAOYSA-N 306.768 3.550 0 40 DHAB Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 3885785 ALUBQDWKENKZPB-UHFFFAOYSA-N 323.208 3.925 0 40 DHAB O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)CCCC2 4496708 LHEXHMLAECLZKY-UHFFFAOYSA-N 322.430 3.892 0 40 DHAB Cc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)s1 5053888 FMEPYQREETYRCC-UHFFFAOYSA-N 308.472 3.724 0 40 DHAB COCc1c(C(=O)N2CCc3ccccc32)oc2ccccc12 6375355 MNCKTGWRTKQFIL-UHFFFAOYSA-N 307.349 3.782 0 40 DHAB CCN(CC)[C@H](C)CC(C(N)=O)(c1ccccc1)c1ccccc1 6384811 NOOZFQJIKQXDCX-QGZVFWFLSA-N 324.468 3.578 0 40 DHAB O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1c1nccs1 6599392 HMSOQBWOUWEVIC-QMJPPLBSSA-N 320.483 3.765 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCC(C)CC2)cc1C 7027246 QICUFERQOUNRFA-UHFFFAOYSA-N 319.518 3.712 0 40 DHAB CCc1nnc(NC(=O)c2cc(SC)ccc2Cl)s1 7348198 SXNCPXLOUCKRMX-UHFFFAOYSA-N 313.835 3.728 0 40 DHAB OCCSc1ncnc2scc(-c3ccc(F)cc3)c12 8080054 LCSFZNSYERYHGN-UHFFFAOYSA-N 306.387 3.582 0 40 DHAB CSc1ncc(C(=O)N2CCCCCC2)n1-c1ccccc1 8134505 ANRVQZDYRRAHEU-UHFFFAOYSA-N 315.442 3.610 0 40 DHAB CC(C)OCCCNC(=O)c1cc(C2CC2)nc2ccccc12 9377493 WAJHZOWJZVFBMC-UHFFFAOYSA-N 312.413 3.657 0 40 DHAB O=C(/C=C/c1ccco1)Nc1cc2c(cc1Cl)OCCCO2 9389936 GQQMBUDOLSWRDU-SNAWJCMRSA-N 319.744 3.746 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCCO2 10489976 OGTZULUPKMZENM-UHFFFAOYSA-N 321.735 3.893 0 40 DHAB COc1ccc(NC(=O)c2sc(-n3cccc3)nc2C)cc1 11865922 WDXFMNQCQUSTQG-UHFFFAOYSA-N 313.382 3.503 0 40 DHAB Cc1cc(SCC(=O)Nc2cc(Cl)ccc2C)nc(C)n1 12016627 NQJWTIROOQHEJS-UHFFFAOYSA-N 321.833 3.786 0 40 DHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1-n1cccc1 12534223 GDXGZPSTJOXMLO-UHFFFAOYSA-N 320.348 3.767 0 40 DHAB CC(C)c1ccccc1OCC(=O)N[C@@H]1CCc2ccccc21 12905036 DZNAPRRXUHWDDX-GOSISDBHSA-N 309.409 3.993 0 40 DHAB CCc1ccc([C@@H](Nc2ccc(C)c(F)c2)P(=O)(O)O)cc1 12950455 SBYOUUJPSAZUSM-INIZCTEOSA-N 323.304 3.985 0 40 DHAB COc1ccc(Cn2nnc(-c3ccc(C(C)C)cc3)n2)cc1 13007681 SRZIRYIUCCZRKO-UHFFFAOYSA-N 308.385 3.520 0 40 DHAB COc1ccc([C@H](C)NC(=S)Nc2ccccc2F)cc1 13932637 GPYQGMHTMKSLRR-NSHDSACASA-N 304.390 3.882 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCc2ccccc21 14847994 KQDRWGUQFYMBEC-UHFFFAOYSA-N 318.376 3.782 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 19931348 NQOSHHNPHKDNMJ-YGLIYXGISA-N 311.381 3.594 0 40 DHAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1C(C)C 20033758 QVAYEFFNOSCMIN-UHFFFAOYSA-N 303.431 3.705 0 40 DHAB O=C(/C=C/c1ccco1)Nc1cccc(-c2ccc(CO)o2)c1 20145235 LGVUYVKSXZWDNY-VQHVLOKHSA-N 309.321 3.684 0 40 DHAB CSc1ccccc1C(=O)NCc1cc(-c2ccco2)on1 22768656 ANIPICLSNHZZCA-UHFFFAOYSA-N 314.366 3.587 0 40 DHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc2c(c1)OCCO2 23224437 ZFKKZBBCUUQBTE-UHFFFAOYSA-N 323.392 3.518 0 40 DHAB Oc1nnc(-c2cccs2)c2sc(N3CCCCC3)nc12 26421173 NXIIGOOOZGORMG-UHFFFAOYSA-N 318.427 3.511 0 40 DHAB C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1 28790908 KQOIQLBYMBXQMC-MRVPVSSYSA-N 307.806 3.569 0 40 DHAB Clc1ccc(-c2n[nH]c(SC[C@H]3CCCCO3)n2)cc1 28869236 ORTMNQRSYIGRGQ-GFCCVEGCSA-N 309.822 3.786 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(O)c2C)c(C)c1 32935316 YFZJVEIILVGQHR-UHFFFAOYSA-N 319.426 3.735 0 40 DHAB Clc1cccc(COc2ccccc2CNc2ncn[nH]2)c1 35287342 BRQITPOUAGTGKT-UHFFFAOYSA-N 314.776 3.649 0 40 DHAB CCC[C@H](C)NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 36124359 RLOTWPNJUFZWDQ-HOTGVXAUSA-N 302.462 3.837 0 40 DHAB Cc1nc(-c2cc(Br)cs2)sc1C(=O)O 36379719 IIAUFLOIXNBEPZ-UHFFFAOYSA-N 304.190 3.641 0 40 DHAB CCCCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 39755128 ANZRNECCBVYNNC-UHFFFAOYSA-N 302.462 3.513 0 40 DHAB CCc1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 41122746 RCMNOFYASQAPAQ-AWEZNQCLSA-N 305.422 3.656 0 40 DHAB COc1cccc(CCC(=O)Nc2cccc3nc(C)oc23)c1 41347422 XDXBMPYHVSKIIT-UHFFFAOYSA-N 310.353 3.716 0 40 DHAB O=c1[nH]c(-c2ccc(O)cc2)nc2sc3c(c12)CCCCC3 46702744 HIPCDHDMFWCRML-UHFFFAOYSA-N 312.394 3.626 0 40 DHAB CC1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 47016278 HATSCTQQNPJEAM-UHFFFAOYSA-N 314.429 3.675 0 40 DHAB CCC(=O)Nc1ccc(C)c(NCc2nc(CC(C)C)no2)c1 55847881 RQWLFQPOZAELKP-UHFFFAOYSA-N 316.405 3.537 0 40 DHAB Cc1cc(NC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)no1 56342107 ZEIKDDCMLYXSDL-NSHDSACASA-N 310.357 3.616 0 40 DHAB CCCNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56765042 YULRTIWYIYOPAI-UHFFFAOYSA-N 321.764 3.717 0 40 DHAB CN(C(=O)c1ccco1)[C@H](c1cccc(F)c1)c1ccccn1 69529044 IJFQBRXOZXTZLF-QGZVFWFLSA-N 310.328 3.675 0 40 DHAB CN(C(=O)C1CCCC1)[C@H](c1cccc(F)c1)c1ccccn1 69619246 GYQCSQFOZVCMMP-GOSISDBHSA-N 312.388 3.959 0 40 DHAB Cc1noc([C@H](C)[S@](=O)Cc2ccc(Cl)c(Cl)c2)n1 71888566 FQYNUSULVSALGC-IIYDVTGLSA-N 319.213 3.695 0 40 DHAB CC[C@H](NC(=O)N[C@@H](C)c1cc(C)oc1C)c1ccncc1 73900648 BOIAEJCKSFDMFB-LRDDRELGSA-N 301.390 3.803 0 40 DHAB Cc1cccc(C(=O)c2ccc(CN3CCSCC3)cc2)c1 85651222 UVIYFWWHBSDUTH-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB CC(C)[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccccc1 89801779 PCAIFJUIJXCDFA-FQEVSTJZSA-N 320.440 3.813 0 40 DHAB Cc1c(Cl)cnn1Cc1nnc(-c2ccc(Cl)cc2)o1 95435666 HBQUPEFGQCVBTA-UHFFFAOYSA-N 309.156 3.597 0 40 DHAB Cc1noc(C)c1CC(=O)N1CCCCC[C@H]1c1ccccc1 95953254 HAVVFWCRRDJPGC-SFHVURJKSA-N 312.413 3.978 0 40 DHAB CCOCc1ccccc1NC(=O)N[C@@H]1CC[C@H](SC)C1 96434245 WZHAPNAXDYEIEQ-KGLIPLIRSA-N 308.447 3.629 0 40 DHAB Cc1ccc(C2C[C@@H]3CC[C@@H](C2)N3Cc2cn(C)nc2C)cc1 100172280 DGGYULLIRKRLLL-PMACEKPBSA-N 309.457 3.948 0 40 DHAB Fc1ccc(-n2nnnc2/C=C\Nc2ccc(Cl)cc2)cc1 100209603 YDKNIIVEXGDYGP-KTKRTIGZSA-N 315.739 3.538 0 40 DHAB COc1cccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2Cc2ccncc2)c1 100728904 BBTRJBRIOVGVLB-ABSDTBQOSA-N 324.424 3.522 0 40 DHAB Cc1cccc(N2C(=O)C[C@@H](Nc3c(C)cc(C)cc3C)C2=O)c1 101275186 PQOSIZCKNANPLQ-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB O=C(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1O 216849520 PTCGGNRLBGYLQX-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB CCOc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225106811 ZFINGOCERJEBMB-INIZCTEOSA-N 320.772 3.813 0 40 DHAB COc1ccc(Cl)cc1C[C@@H](OCc1ccccc1)C(=O)O 225122157 OVLPGFFYEOVCCW-MRXNPFEDSA-N 320.772 3.561 0 40 DHAB Cc1ccc(C)c(Nc2ccc(C(=O)N3CCCC3)cc2N)c1 225419008 YOIAWGGSDSUYEI-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB Cc1cc(-c2nn3c(C(F)(F)F)nnc3s2)ccc1Cl 226293730 LHQBXPCFWOBXTD-UHFFFAOYSA-N 318.711 3.833 0 40 DHAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1 409101693 XGVNENSBJBUFKW-ZTMOJVSCSA-N 305.399 3.920 0 40 DHAB Cc1ccccc1OCC(=O)NCc1ccc(-c2ccco2)o1 585147813 PATWMYAAUKVFHT-UHFFFAOYSA-N 311.337 3.543 0 40 DHAB FC[C@H]1CCN(c2nc3ccc(Br)cc3s2)C1 1963525207 DJYVWMLVFJOQRU-MRVPVSSYSA-N 315.211 3.855 0 40 DHAB COc1ccccc1C(=O)Nc1c2c(nc3c1CCC3)CCCC2 198619 HHXYZCKCYNIUCH-UHFFFAOYSA-N 322.408 3.710 0 40 DHAB Cc1nc(NCc2ccccn2)c2c3c(sc2n1)CCCC3 250802 WNKAIZKDEQUYNX-UHFFFAOYSA-N 310.426 3.886 0 40 DHAB CSc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 363541 PCFDLKJJRNLZCG-UHFFFAOYSA-N 307.444 3.810 0 40 DHAB COc1ccc([C@H](CC(=O)Nc2nccs2)C(C)C)cc1 554347 RAWVNRXAGXHLQO-CQSZACIVSA-N 304.415 3.920 0 40 DHAB COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C=C[C@@H]12 1705290 WWHOUZIYZYQBEU-NEWSRXKRSA-N 300.398 3.959 0 40 DHAB COc1ccc(C(C)=O)c(Oc2ncnc3sccc23)c1 2648879 DATBASLHMMYMPU-UHFFFAOYSA-N 300.339 3.695 0 40 DHAB CCC(C)(C)NC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 2656659 BCJLXQLMYCKSCF-VQHVLOKHSA-N 313.344 3.615 0 40 DHAB COc1ccc(N2C(=O)C(F)(F)[C@H]2c2ccccc2F)cc1 3185408 UQHSCFASEMAZJM-CQSZACIVSA-N 307.271 3.558 0 40 DHAB Cc1ccc(N(C)[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 4688421 RDOFVUZJSMGNOA-INIZCTEOSA-N 312.394 3.657 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c(C)c1C 4744850 JHBKSUWLPVBFJA-UHFFFAOYSA-N 324.833 3.769 0 40 DHAB Clc1cccc(Cl)c1NCc1nnc2n1CCCCC2 5223502 WMBVZHRPGWNPFI-UHFFFAOYSA-N 311.216 3.923 0 40 DHAB CCOc1ccccc1OCC(=O)Nc1cc(F)ccc1C 5341632 IETNSIBKBRAAHF-UHFFFAOYSA-N 303.333 3.550 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C)cc1C 5375258 FRLFPCJSLFDDBZ-QGZVFWFLSA-N 313.353 3.602 0 40 DHAB C[C@H]1Cc2ccccc2N1CC(=O)N[C@@H]1CCCc2ccccc21 5898103 LZEPETGAMYUUEE-HNAYVOBHSA-N 320.436 3.631 0 40 DHAB COc1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc1O 5957753 KOIVFCXONCQFNG-SOFGYWHQSA-N 321.332 3.818 0 40 DHAB COCCNC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 6510789 LWDXVLMTSRECEM-UHFFFAOYSA-N 320.392 3.586 0 40 DHAB Cc1cc(CSc2nnc(-c3c[nH]c4ccccc34)o2)no1 7828614 CPBYGINZVLEIFK-UHFFFAOYSA-N 312.354 3.807 0 40 DHAB CC(=O)NCCc1ccc(-c2csc(-c3ccccn3)n2)cc1 8209567 GBOQDRBWSDJECM-UHFFFAOYSA-N 323.421 3.551 0 40 DHAB Cc1cccc(CCCNC(=O)COc2ccc(C)c(C)c2)c1 10110825 GOQRRJYWKWDZPZ-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB CC(C)c1ccc(OC[C@H](O)CSc2ccccn2)cc1 11692556 QAXBJEAWWLIWFA-HNNXBMFYSA-N 303.427 3.737 0 40 DHAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccco1 12235695 NXJPNSXUQBAWON-UHFFFAOYSA-N 302.717 3.518 0 40 DHAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1cccs1 12235698 XKDAFEMYGYNOET-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB CN(C)c1cccc(C(=O)N2CCCSc3ccccc32)c1 12557889 SSUSTGQMKRZGPO-UHFFFAOYSA-N 312.438 3.895 0 40 DHAB Cc1ccsc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 12984644 DGJBQUUVQSFUQT-AWEZNQCLSA-N 318.442 3.607 0 40 DHAB Cc1ccccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 14790093 RZJWLPMYXGPGOH-UHFFFAOYSA-N 323.314 3.709 0 40 DHAB CCCn1nnc(NCc2ccc(-c3ccc(Cl)cc3)o2)n1 15356948 LDBUNISCMMQILY-UHFFFAOYSA-N 317.780 3.609 0 40 DHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(F)cc1 20035479 NKCDNZHLLSFOEU-KRWDZBQOSA-N 315.388 3.916 0 40 DHAB C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 21988960 OSVMTWJCGUFAOD-PVCYBXFQSA-N 302.414 3.973 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(C)cc1 22843026 SHFYYVBFKMPRPS-INIZCTEOSA-N 321.417 3.872 0 40 DHAB COC(=O)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 24002061 HZBIRLQNCBFRKD-NVXWUHKLSA-N 313.422 3.727 0 40 DHAB C[C@H]1CN(c2cc(C(F)(F)F)nc3ccccc23)C[C@@H](C)O1 26134644 VLCKBWLASSYZRO-PHIMTYICSA-N 310.319 3.867 0 40 DHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(F)cc3)oc2c1 27992748 HDHIJFQZFJFPKO-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)c1 28852998 FPUSHRUCMLRLJI-JTQLQIEISA-N 318.323 3.607 0 40 DHAB Cc1cccnc1NC(=O)Cc1nc(-c2ccccc2)oc1C 29192923 UVTZYVDRXQSGQM-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccccc1 30851638 XMPFXALQWYBPLO-GOSISDBHSA-N 311.425 3.901 0 40 DHAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nccs1 32914071 HEUHWFHTRDQHBY-UHFFFAOYSA-N 315.423 3.751 0 40 DHAB O=C(O)c1csc(-n2nc(C(F)F)cc2-c2ccccc2)n1 33435770 AHKHTATVJJSYID-UHFFFAOYSA-N 321.308 3.632 0 40 DHAB Cc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)c2c(C)noc2n1 36358899 IASXIVNYXLSVJB-UHFFFAOYSA-N 321.258 3.509 0 40 DHAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(Cl)cc2)n1 36612175 JAGDAFRUVBMKSS-LLVKDONJSA-N 320.824 3.611 0 40 DHAB COc1ccc(Cl)c2sc(NCc3ccncc3)nc12 36657580 VRXVPFBAHUWHCP-UHFFFAOYSA-N 305.790 3.965 0 40 DHAB COc1cccc(NC(=O)N[C@H](C)Cc2cccs2)c1OC 38489510 OLXXIMIRERCVDL-LLVKDONJSA-N 320.414 3.518 0 40 DHAB O=C(Nc1ccc(Br)cc1F)N1CCCCCC1 40097450 PRBXOUCFNQJNQR-UHFFFAOYSA-N 315.186 3.996 0 40 DHAB Cn1c(C(=O)NCCc2ccccc2)c(Cl)c2ccccc21 40142894 GNWRKLJCOQJMAM-UHFFFAOYSA-N 312.800 3.804 0 40 DHAB COC(=O)c1cc(-c2cccs2)nc2onc(C3CC3)c12 40154892 UUVMYWDWFGCLSF-UHFFFAOYSA-N 300.339 3.615 0 40 DHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccccc1F 40156075 YBIYLIZMMGBHFZ-CYBMUJFWSA-N 322.383 3.995 0 40 DHAB COc1ccc(F)cc1[C@@H](O)c1ccc(Br)cc1 40258218 CWROPZOCKAJURT-AWEZNQCLSA-N 311.150 3.679 0 40 DHAB CC(C)c1cc(C(=O)N[C@H](C)c2ccncc2)nn1C(C)(C)C 44313005 DKAJLLPTHOGVKL-CYBMUJFWSA-N 314.433 3.648 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)Cc1cccc2cccnc12 54519773 COUCORBLLLJDJJ-AWEZNQCLSA-N 320.392 3.663 0 40 DHAB C[C@H](NCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 57303444 IGDZQGSTRHSCND-HNNXBMFYSA-N 304.393 3.957 0 40 DHAB Cc1ccccc1-n1ncc(C(=O)Nc2ccnn2C(C)C)c1C 68235881 FTZOTPFWZKOCGP-UHFFFAOYSA-N 323.400 3.519 0 40 DHAB CC(C)c1nc(CCNC(=O)c2ccccc2Cl)cs1 69515826 MYWJYAISAVZIIH-UHFFFAOYSA-N 308.834 3.892 0 40 DHAB Sc1noc(Cc2nc(-c3ccc(Cl)cc3)cs2)n1 71328716 JWMQYOUTNRYNHW-UHFFFAOYSA-N 309.803 3.726 0 40 DHAB CC(C)c1cccc(NC(=S)Nc2ccc(C(N)=O)cc2)c1 71760700 LTSUYXJRVIWUQE-UHFFFAOYSA-N 313.426 3.718 0 40 DHAB CNc1cc(C)c([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72219077 SCZIQFVOIDVIMP-QGZVFWFLSA-N 309.413 3.799 0 40 DHAB C[C@@H](C1CC1)N(C(=O)N[C@@H]1CCCOc2ccccc21)C1CC1 73976634 BQDIKYNXBDVVGG-SUMWQHHRSA-N 314.429 3.873 0 40 DHAB O=C(CC1CCC(c2ccccc2)CC1)NC1CCOCC1 78666215 IGJXCXKTXJDPMD-UHFFFAOYSA-N 301.430 3.646 0 40 DHAB CC(C)n1cc(CC(=O)NCCc2ccccn2)c2ccccc21 79486011 LBUVKNBLUGLZPI-UHFFFAOYSA-N 321.424 3.519 0 40 DHAB Cc1nc(C)c(C(=O)N2CC(C)(C)Sc3ccccc32)o1 88241441 OMLLJRWMXYQQPO-UHFFFAOYSA-N 302.399 3.823 0 40 DHAB COCc1ccccc1NCc1ccc(-n2ccnc2)c(F)c1 89420390 ZUBVNXMHJZPOCN-UHFFFAOYSA-N 311.360 3.770 0 40 DHAB CSCC[C@H](C)NC(=O)c1cnc(C)c(Cl)c1Cl 95985569 AXBMFYBAIGXPSC-ZETCQYMHSA-N 307.246 3.568 0 40 DHAB CC[C@@H](C)[C@H](C(=O)NCCc1cscn1)c1ccccc1 96408454 WFAAIHOHIIQJBU-CJNGLKHVSA-N 302.443 3.632 0 40 DHAB O=C(Nc1cccc(N2CCCCCC2)c1)N1CCSCC1 96420271 ZLYYJKXXIVHPPM-UHFFFAOYSA-N 319.474 3.648 0 40 DHAB CN(CC(F)F)C(=O)c1cnc(-c2ccccc2Cl)s1 103396204 NIVXXYCALFIAMG-UHFFFAOYSA-N 316.760 3.801 0 40 DHAB CN(C(=O)Nc1ccc(SC(C)(C)C)cc1)[C@@H]1CCOC1 106945428 RRWZXDAPAQLUJW-CYBMUJFWSA-N 308.447 3.830 0 40 DHAB Cc1csc(CN[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 107359449 YJRWCBAWJJASPI-RDJZCZTQSA-N 315.486 3.594 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc(C)cc2Cl)c1C 224998646 KPNHVWQNOZMFIX-UHFFFAOYSA-N 317.772 3.996 0 40 DHAB CC[C@H](C)NC(=S)Nc1ccc(Br)c(C)c1 225271215 LYRSCZRAELXPSH-VIFPVBQESA-N 301.253 3.842 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1c(N)cccc1Cl 226359113 FTESJPVUKKUHMY-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Fc1ccc(-n2ncc3c(Cl)nc(Cl)nc32)cc1Cl 228947094 BTLXZDQJEWDVPH-UHFFFAOYSA-N 317.538 3.915 0 40 DHAB CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408603616 SBKFHFYJIUTMMY-NTUHNPAUSA-N 321.304 3.891 0 40 DHAB O=C(Sc1nnc(COc2ccccc2)o1)c1ccccc1 408620436 IVGXHSXYLUEAAD-UHFFFAOYSA-N 312.350 3.581 0 40 DHAB CC1(C)CC(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)C1 512740293 NVHCHLDOIVXMIN-IAGOWNOFSA-N 317.429 3.744 0 40 DHAB Fc1ccc(/C=C/c2nc(-c3ccc4nc[nH]c4c3)no2)cc1 545749985 CYGNZELDHWZKJR-FPYGCLRLSA-N 306.300 3.922 0 40 DHAB CC1(C)CC[C@H]2CN(C(=O)/C=C/c3ccccc3)CC[C@@]2(C)O1 585283736 CFMHYPSTHIUYGY-BYGNXNDRSA-N 313.441 3.896 0 40 DHAB O=C(NC1CCC(n2cccn2)CC1)c1ccc(Cl)s1 618257590 YQZGQVNGOGQNSZ-UHFFFAOYSA-N 309.822 3.512 0 40 DHAB Cc1csc(C(=O)NCC2(c3ccsc3)CCOCC2)c1 952987247 UKYZUKIXFVZIMX-UHFFFAOYSA-N 321.467 3.596 0 40 DHAB Cc1nc(-c2cccc(NC(=O)c3ncnc(C)c3C)c2)cs1 1147062988 QCUTTXHTAMQHPL-UHFFFAOYSA-N 324.409 3.778 0 40 DHAB C1=Nc2c(NCc3ccccc3)ncnc2Oc2ccccc21 510218 KFKMEUNGWSASTR-UHFFFAOYSA-N 302.337 3.945 0 40 DHAB COCCSc1ccccc1C(=O)Nc1ccc(OC)cc1 2153584 NJPBPRPWHOSBDP-UHFFFAOYSA-N 317.410 3.686 0 40 DHAB Cc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1 2645768 NGSIDMTWIVAIGO-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB CCC[C@@H](C)NC(=O)CSc1ncnc2sc(C)c(C)c12 3604210 MCAORPINKIGWHJ-SECBINFHSA-N 323.487 3.705 0 40 DHAB COc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 3897024 SNNXOWMJZQAKPY-SNVBAGLBSA-N 302.399 3.529 0 40 DHAB CC(C)[C@H](COC(=O)c1ccc(N)cc1)N[C@H]1CCCC[C@H]1C 4825133 XTGSASTYPBHXBJ-JLSDUUJJSA-N 318.461 3.619 0 40 DHAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)CCC2 4830041 NVQBFSJQBZVYJC-UHFFFAOYSA-N 323.421 3.782 0 40 DHAB O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc2ccccc2c1 5264951 VCLJXZOTSRUVNN-UHFFFAOYSA-N 323.377 3.517 0 40 DHAB C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=O)ccc2O1 5748712 JXRYRJADFWVJKD-ZDUSSCGKSA-N 304.349 3.675 0 40 DHAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)C)c2)cc1 7055717 KIYGBDPFFCQMNC-UHFFFAOYSA-N 305.399 3.619 0 40 DHAB O=C(NC1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 7916595 UFZLQPVLXZZNJI-UHFFFAOYSA-N 305.761 3.509 0 40 DHAB COc1ccc(/C=C/C=N/NC(=O)c2ccc(Cl)cc2)cc1 8116294 VJZWZNNBISHRKW-JJVAODBKSA-N 314.772 3.778 0 40 DHAB O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1 8707891 MODPWQOCQGDENH-SNVBAGLBSA-N 320.742 3.553 0 40 DHAB CCCCCC(=O)Nc1nnc(COc2ccccc2)s1 8743341 RILBYONMFHQLTE-UHFFFAOYSA-N 305.403 3.636 0 40 DHAB COc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(F)c3)C2)c1 8774884 FYYFJKMKBVXPNL-SFHVURJKSA-N 312.344 3.532 0 40 DHAB O=c1cc(CSC2=NCCS2)c2cc3c(cc2o1)CCC3 9048215 KEGZUQIPVMPSHO-UHFFFAOYSA-N 317.435 3.618 0 40 DHAB O=c1[nH]c2ccc(-c3csc(NC4CCCC4)n3)cc2o1 9156016 RZXADVGPIRQVCQ-UHFFFAOYSA-N 301.371 3.599 0 40 DHAB CSc1ccc(-c2noc(CCc3c(C)noc3C)n2)cc1 9531534 PJBOMGDNQIRHIN-UHFFFAOYSA-N 315.398 3.849 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)NCCCOCC(C)C)cc1 12552577 MEHOTWOTWJLZNN-HNNXBMFYSA-N 322.449 3.508 0 40 DHAB CCCc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 12616623 GHYGBFXRTUMACI-UHFFFAOYSA-N 315.320 3.762 0 40 DHAB COC(=O)c1cccc(OCc2cc(-c3ccccc3)on2)c1 12787353 WRQQTCKSRKXKSW-UHFFFAOYSA-N 309.321 3.707 0 40 DHAB C[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl 12868428 MLEAYDOYMFPMNW-GFCCVEGCSA-N 316.788 3.822 0 40 DHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2C)cc1 12886867 LBCBTFLFAXQMQV-LJQANCHMSA-N 324.424 3.779 0 40 DHAB CCc1cccc(N2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)c1 12929214 APMZDDFLFSXIFZ-INIZCTEOSA-N 322.408 3.549 0 40 DHAB Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3[nH]2)c1 13284281 MKFPUYPMKUNVTK-UHFFFAOYSA-N 311.410 3.911 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(Br)cs2)C1 13746792 ZYEBNDNOIQJAKR-IUCAKERBSA-N 302.237 3.629 0 40 DHAB O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccccc2Cl)o1 14171288 GMIDWDDULHMGLA-NSHDSACASA-N 305.761 3.509 0 40 DHAB CSc1ccccc1NC(=O)c1cc(O)nc2ccccc12 15306051 FXKMYTMWCUHVOB-UHFFFAOYSA-N 310.378 3.915 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1C 21915124 NILRWCKAVSGCSB-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CC1=NNC(C)=NC(c2cc(Cl)c(Cl)c(Cl)c2)=N1 28294493 WTEMYTJWHVTEHU-UHFFFAOYSA-N 303.580 3.748 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)CSCc1ccccc1 28487963 WTFURMHMMGBYPS-CQSZACIVSA-N 315.438 3.806 0 40 DHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 32667880 GKEYUFNPDDVGIS-BDJLRTHQSA-N 317.772 3.815 0 40 DHAB CC(C)c1ccc(CN(C)S(=O)(=O)c2ccccc2F)cc1 33047759 YUVRIJXNUUIVBE-UHFFFAOYSA-N 321.417 3.770 0 40 DHAB COc1ccc2nc([C@H]3CCN(Cc4ccsc4)C3)[nH]c2c1 35446791 WZQWBCNJOZGIKV-ZDUSSCGKSA-N 313.426 3.623 0 40 DHAB biogenic,in-vitro Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)nn1C(C)(C)C 36391644 UTYDTAZNCWHXAS-LLVKDONJSA-N 321.371 3.716 0 40 DHAB Cc1cccc(NC(=O)c2ccc(CSc3cn[nH]n3)cc2)c1 36646430 HMZLOQWOULBPAO-UHFFFAOYSA-N 324.409 3.658 0 40 DHAB O=C(CC[C@H]1CCCO1)Nc1nc(-c2cccc(F)c2)cs1 40073865 XAOUCXIFVSGSGV-CYBMUJFWSA-N 320.389 3.847 0 40 DHAB C[C@@H](OCC1CC1)C(=O)Nc1cccc(OC2CCCC2)c1 48343210 WURIHNTUZRJTKF-CYBMUJFWSA-N 303.402 3.762 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 51354289 RNMUWMRZRQXMOK-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB Clc1cc(Cl)nc(-c2cncc(Br)c2)n1 59246807 JZQXDVQEKCOQOW-UHFFFAOYSA-N 304.962 3.608 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2ccc(C)cc2C)ccc1F 66489480 BWZPIEUCDQYOAF-UHFFFAOYSA-N 316.332 3.873 0 40 DHAB CC(C)N1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214377 HCOGKJUYLVXCNG-CQSZACIVSA-N 305.422 3.974 0 40 DHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cccnc2)o1 76066706 CSLKGPJJXZNXAN-CJNGLKHVSA-N 313.401 3.666 0 40 DHAB COc1cc(OC)c2nccc(Nc3cccc(C(=O)O)c3)c2c1 78401524 HFDCMMJMIHUYBS-UHFFFAOYSA-N 324.336 3.694 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ccccn1 79297789 UVGZZHMFDFAYLG-CYBMUJFWSA-N 302.805 3.887 0 40 DHAB Cc1ccccc1SCCC(=O)NCc1ccc(F)cc1 84247642 QMFUOAJAVUEFIA-UHFFFAOYSA-N 303.402 3.933 0 40 DHAB COc1cc(CNc2ccc3[nH]ncc3c2)c2c(c1)C[C@H](C)O2 84718073 WWGATDKFMXMAIR-NSHDSACASA-N 309.369 3.507 0 40 DHAB CCS[C@@H]1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1 84811874 QGIKPKCIJAOYQR-NUEKZKHPSA-N 321.490 3.848 0 40 DHAB CC[C@@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C 95095423 WACWLENGESNBKY-HIFRSBDPSA-N 315.417 3.955 0 40 DHAB CC[C@@H](C)[C@H](C)NCC(=O)Nc1cc(Cl)ccc1Cl 95459377 JQTVAIJKYXKXIO-ZJUUUORDSA-N 303.233 3.956 0 40 DHAB CO[C@@](C)(CNC(=O)c1ccsc1)c1cccc(Cl)c1 96392325 RMBKMSBGKSGBSE-HNNXBMFYSA-N 309.818 3.693 0 40 DHAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)CC[C@@H]1CCCO1 96415376 BSGJPJTYAPLNQM-BHYGNILZSA-N 319.449 3.522 0 40 DHAB CCOc1ccc([C@H]2CCCN2C(=O)c2cscn2)cc1 102979477 UXKVGBZGAAXTFT-OAHLLOKOSA-N 302.399 3.519 0 40 DHAB O=C(COC1CCCCC1)n1cccc/c1=N\C1CCCCC1 103315587 LSPZTGAOHZMMAK-CZIZESTLSA-N 316.445 3.711 0 40 DHAB C[C@@H](c1ccccc1)N(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 105870448 YWJIWBAFVQFGHK-UONOGXRCSA-N 307.397 3.677 0 40 DHAB Fc1ccc2c(c1)[C@@H](NCc1cccc3cnccc13)CCO2 189584829 PXAUBGGVZMCNLM-SFHVURJKSA-N 308.356 3.987 0 40 DHAB CCc1ccccc1NC(=O)Cn1ccc(=O)c2cc(C)ccc21 225744245 VQQSYSQLRXAECU-UHFFFAOYSA-N 320.392 3.511 0 40 DHAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1 409101692 XGVNENSBJBUFKW-IWQAVIMZSA-N 305.399 3.920 0 40 DHAB COC(=O)CCCCC(=O)c1cc(Br)ccc1F 575362561 YQFGMPDYMKUKAS-UHFFFAOYSA-N 317.154 3.504 0 40 DHAB CCCN(CCN1CCCC1)C(=O)c1scc(C)c1Cl 585082327 DTOUEYYXFZKEQD-UHFFFAOYSA-N 314.882 3.658 0 40 DHAB CC(C)C[C@@](C)(CC(=O)O)C(=O)N1CC[C@@H](c2ccccc2)C1 634861778 HGBJYUWCBGOAEG-APWZRJJASA-N 317.429 3.530 0 40 DHAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 130772 BGLQINHJOGIYDI-VAWYXSNFSA-N 323.392 3.807 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3)cc2c1 421131 DTNMLYHBQVRYRL-UHFFFAOYSA-N 312.344 3.678 0 40 DHAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccccc1 1340524 NKYRJYJZIUPKGS-UHFFFAOYSA-N 317.392 3.798 0 40 DHAB C[C@]1(O)c2ccccc2N[C@]12C[C@@]1(C)Nc3ccccc3[C@@]1(C)O2 1584395 RTQHPAOPTVJQGO-WCIQWLHISA-N 322.408 3.536 0 40 DHAB Cc1cc(SCc2ccc(Cl)cc2Cl)nc(N)n1 1674940 ZOEDEAMZFNUEAH-UHFFFAOYSA-N 300.214 3.966 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1 1993493 ZRLRKQRILGTUFR-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CCOC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 3053206 PSZYYZMICBJVSF-UHFFFAOYSA-N 315.394 3.594 0 40 DHAB CCCCCOc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 3348348 GJSVDPWPXDHLEP-UHFFFAOYSA-N 315.369 3.623 0 40 DHAB O=C(Cc1coc2cc3c(cc12)CCC3)O[C@@H]1CCCCC1=O 3442592 JOIPGSCLRUCANG-QGZVFWFLSA-N 312.365 3.519 0 40 DHAB C[C@]12C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4349016 KEFKVEFAVWWNIX-AETVUNEGSA-N 322.191 3.695 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)Nc2cccc(OC)c2)cc1 4472963 HBBGFVBISGDKMC-UHFFFAOYSA-N 312.369 3.686 0 40 DHAB CC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 5171565 KBVAKUYVTPZFPR-UHFFFAOYSA-N 305.381 3.678 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)Cn1c(C)nc2ccccc21 5627676 VMUIOIMZILURCZ-UHFFFAOYSA-N 313.788 3.945 0 40 DHAB CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CCC2 5917550 XRNLYSHZXFBMEJ-UHFFFAOYSA-N 309.431 3.788 0 40 DHAB S=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCOCC1 6219917 QKIVOSXVSXNHHB-DUXPYHPUSA-N 302.226 3.666 0 40 DHAB Cc1[nH]c2ccccc2c1/C=C1\N=C(c2ccccc2F)OC1=O 6928174 ZDNWTUGQYVSDEO-YVLHZVERSA-N 320.323 3.960 0 40 DHAB CCC(=O)c1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 6988388 IFRYQUSPAOLNKH-LJQANCHMSA-N 323.392 3.678 0 40 DHAB COc1ccc(NC(=O)CNc2cccc3ccccc23)cc1 7955227 ZYFLTYYPODNOAC-UHFFFAOYSA-N 306.365 3.899 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1 7961847 PDCYIDDVALUHPY-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB Cc1ccccc1CNC(=O)Cc1csc(-c2ccccc2)n1 8753076 HGKMPUYECQGLJD-UHFFFAOYSA-N 322.433 3.977 0 40 DHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(C)c1)c1cccs1 8755554 DJGVDBFHRRCGQY-HNNXBMFYSA-N 316.426 3.571 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nc1onc2c1CCCC2 8976623 JYWHUOURHXHKLW-UHFFFAOYSA-N 322.364 3.968 0 40 DHAB CCCCc1ccc(NC(=O)c2cn(CC)nc2OCC)cc1 9070316 CDYBELSLJZGYJM-UHFFFAOYSA-N 315.417 3.897 0 40 DHAB Cc1cccc(/C=C/C(=O)NCc2ccccc2OC(F)F)c1 10114674 PZZPKNKVAFDOGP-MDZDMXLPSA-N 317.335 3.926 0 40 DHAB CCCCOc1ccc(CN2C(=O)C(=O)c3ccccc32)cc1 11612338 YOUCGFVLFCQCNV-UHFFFAOYSA-N 309.365 3.595 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 13151825 WHRHSPJKHGPVCS-WAYYCVMKSA-N 322.191 3.695 0 40 DHAB Cc1nc(SC/C=C/c2ccccc2)c(C(N)=O)c(C)c1C 14250703 XCWGWBCECJMVGZ-JXMROGBWSA-N 312.438 3.911 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccccc2C)cc1C 15295282 CFGKSFZRFDHGFR-GOSISDBHSA-N 324.468 3.921 0 40 DHAB Cc1cc(N)ccc1NC(=O)COc1ccc(Cl)cc1C 19736358 FWQMARNHKUDJTH-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)c(Cl)c1 20139398 GQXWLCXZWDULPA-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1Cl 20375007 UEATZVVJOPEBDW-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(F)c1 23294655 TZXFBGYOMNAXMN-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB COCc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 25334495 IEXOFSDOMBCARR-UHFFFAOYSA-N 319.401 3.844 0 40 DHAB Cc1ccccc1NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 28192878 JLUCBHKZSQYROF-MDWZMJQESA-N 320.392 3.539 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 32738303 PVLQSYDZAWGWLS-UONOGXRCSA-N 323.396 3.516 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc2ccccc2[nH]1 32855968 WFUORIMTMBPUBB-UHFFFAOYSA-N 320.327 3.811 0 40 DHAB Cc1nc(SCC(=O)Nc2ccc(F)cc2)n(C2CC2)c1C 32894085 HAGDOPCWYLTDBE-UHFFFAOYSA-N 319.405 3.705 0 40 DHAB O=C(Cc1ccccc1Cl)NCC1(c2cccs2)CC1 38592991 ZVMBNLIMURFUSC-UHFFFAOYSA-N 305.830 3.792 0 40 DHAB Cc1ccc(Oc2cc(Cl)nc(N)n2)c(Br)c1 40051227 WDVJGQXOVMARJB-UHFFFAOYSA-N 314.570 3.575 0 40 DHAB CCc1sc(C(=O)NCc2cccc(NC(C)=O)c2)cc1C 40093534 XPPBYPJEEYYAFA-UHFFFAOYSA-N 316.426 3.507 0 40 DHAB O=C(NCc1ccccn1)c1ccccc1SCc1ccco1 44890471 FKSDISQKLNYXRP-UHFFFAOYSA-N 324.405 3.897 0 40 DHAB COc1ccccc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 45673746 JFMNEAZCMSKVIQ-QGZVFWFLSA-N 323.396 3.699 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2cccnc2)on1 46899671 FKPNYJJRMVHEAO-INIZCTEOSA-N 319.364 3.544 0 40 DHAB O=C(O)[C@H](NCc1ccccc1)c1ccc(C(F)(F)F)cc1 47844231 HFUIVXFCBXWSBT-CQSZACIVSA-N 309.287 3.621 0 40 DHAB in-vitro C[C@@H](Sc1ccc(O)cc1)C(=O)Nc1cc(F)ccc1F 47895262 MMHMLMMNMOHQFE-SECBINFHSA-N 309.337 3.790 0 40 DHAB COc1ccccc1CNC(=O)Nc1ccccc1OC(C)C 48193707 CVWFNERQDJUYNQ-UHFFFAOYSA-N 314.385 3.804 0 40 DHAB C[C@H](OCC1CC1)C(=O)Nc1cccc(OC2CCCC2)c1 48343208 WURIHNTUZRJTKF-ZDUSSCGKSA-N 303.402 3.762 0 40 DHAB O=C(CCCn1cccc1)Nc1nc(-c2ccco2)cs1 49030950 BYQCBXXSWGBHKN-UHFFFAOYSA-N 301.371 3.624 0 40 DHAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc2nccnc2c1 49548527 OKZTXTWTSGNIJN-GFCCVEGCSA-N 321.384 3.705 0 40 DHAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C)cc1F 56205781 QQQZKTPHVVTRLY-ZDUSSCGKSA-N 316.376 3.972 0 40 DHAB O=C(Nc1ccc(F)cc1)N(Cc1ccco1)C[C@@H]1CCCO1 56515391 DSTWHDNQPKECED-INIZCTEOSA-N 318.348 3.632 0 40 DHAB O=C(CC[S@](=O)Cc1ccc(Cl)cc1)Nc1ccccc1 58098103 CPGIYYOIOQLMRA-OAQYLSRUSA-N 321.829 3.618 0 40 DHAB COc1c(Cl)cc(Cl)cc1C(=O)N1CCC(C)CC1 59843439 WCZJSVSDYGGRDP-UHFFFAOYSA-N 302.201 3.874 0 40 DHAB C[C@@H]1CCc2nc(NC(=O)C(F)(F)c3ccccc3)sc2C1 60738022 GHNYRKGYQLDJJM-SNVBAGLBSA-N 322.380 3.998 0 40 DHAB Cn1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c2ccccc21 64324575 NSORXFWENLLGRF-UHFFFAOYSA-N 308.385 3.518 0 40 DHAB Cc1ccccc1CN1Cc2cc(Cl)ccc2OCC1=O 65184402 QICQRZUPBYMEKT-UHFFFAOYSA-N 301.773 3.570 0 40 DHAB CC(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)NC(C)C)C2(C)C)no1 67890009 HXLJUPNDIVUHIF-CJNGLKHVSA-N 321.465 3.538 0 40 DHAB biogenic,in-vitro CC[C@H]1C[C@@H]1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 71908198 SGJXELGYECNKNN-FZMZJTMJSA-N 318.804 3.842 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)sc1C 72297380 BSRHGATVBCVUNL-CQSZACIVSA-N 318.417 3.919 0 40 DHAB C[C@H](C1CC1)N(C(=O)N[C@@H]1CCCOc2ccccc21)C1CC1 73976635 BQDIKYNXBDVVGG-CXAGYDPISA-N 314.429 3.873 0 40 DHAB C[C@](O)(CNC(=O)c1cccc2ccccc12)c1cccs1 75155862 NHHWUBQYILBRKC-SFHVURJKSA-N 311.406 3.539 0 40 DHAB COc1cccc(/C(C)=C/C(=O)N(C(C)C)C2CCOCC2)c1 79048826 PUBGSYMKJYRZIS-NTCAYCPXSA-N 317.429 3.515 0 40 DHAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)n[nH]1 84110283 OCYOORRAIZEWIV-SJLPKXTDSA-N 323.440 3.544 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1-c1ncc[nH]1 84980617 RIAHBVCEPWBTIH-LBPRGKRZSA-N 324.409 3.591 0 40 DHAB CCc1ccc([C@@H](Nc2cc(C)nc3ncnn23)C(C)(C)C)o1 85707089 LHUVLWLIOBOLOX-OAHLLOKOSA-N 313.405 3.787 0 40 DHAB O[C@@H](CN(Cc1ccccc1)Cc1cccnc1)c1cccs1 88616466 FKDLMSJRUJCTBO-SFHVURJKSA-N 324.449 3.879 0 40 DHAB C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1nccs1 90916573 ZPSIKNYSGPBYPP-NILFDRSVSA-N 321.877 3.893 0 40 DHAB CO[C@H](C)c1cccc(NCc2ccc([S@@](C)=O)cc2)c1 95428994 WIIDWTREUDMRSH-ASSNKEHSSA-N 303.427 3.744 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3CCC[C@](C)(CO)C3)s2)o1 97081745 WHYTVOQNQITLSD-KRWDZBQOSA-N 319.426 3.551 0 40 DHAB COCc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C)o2)o1 97147902 CJHSMLLZJVHDNC-XAVKZTDYSA-N 315.369 3.704 0 40 DHAB COc1cc([C@H](C)Nc2ccc(C)cc2)ccc1S(C)(=O)=O 97231434 BBHWRHKBDYULHV-ZDUSSCGKSA-N 319.426 3.580 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100518030 UCCZEJKEPKONPP-CJMONDIMSA-N 311.425 3.750 0 40 DHAB Cc1nc2ccc(NC(=O)Nc3c(C)n[nH]c3C)cc2s1 108653653 JXDUWKZJGSDAPY-UHFFFAOYSA-N 301.375 3.589 0 40 DHAB Cc1occc1[S@@](=O)Cc1coc(-c2c(F)cccc2F)n1 189634712 GAIACDMRXXIVBA-QFIPXVFZSA-N 323.320 3.829 0 40 DHAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 224906489 OQUUHVSRAWMIOF-UHFFFAOYSA-N 307.390 3.658 0 40 DHAB CCc1ccc(OCCNC(=O)CCc2ccccc2F)cc1 225164893 KIDXFGDSKQRDDB-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB COc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225638024 PQDCRMFTKLHRPI-SGTLLEGYSA-N 305.418 3.846 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CNCc2nnc(C(C)(C)C)s2)o1 268245143 XYNVEAQCFLMFOE-PWSUYJOCSA-N 305.447 3.842 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1scnc1C 331819178 XNHBYEDJGOFWAB-CYBMUJFWSA-N 316.426 3.909 0 40 DHAB CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 408694572 JVMTUECWCVIEDJ-OFQRWUPVSA-N 301.430 3.668 0 40 DHAB COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Cl 409023211 YFTMWKGZAYRARR-KPKJPENVSA-N 311.790 3.793 0 40 DHAB FC(F)(F)Oc1ccc(-n2ccc(Br)n2)cc1 575442760 WLJWWKZGCRMKAI-UHFFFAOYSA-N 307.069 3.533 0 40 DHAB O=C1C[C@@H](c2ccccc2)SC(N2CCc3ccccc32)=N1 107865 UZENTRDFRMYADX-INIZCTEOSA-N 308.406 3.810 0 40 DHAB C[C@@H](O)CNc1nc(-c2cccc(Cl)c2)nc2ccccc12 149824 FIRDDVVANWRTLV-LLVKDONJSA-N 313.788 3.743 0 40 DHAB Cc1cccc(NC(=O)O[C@H]2CCN3Cc4ccccc4N=C23)c1 487693 ZMTGIYJAMVPNPD-KRWDZBQOSA-N 321.380 3.862 0 40 DHAB biogenic FC(F)(F)COP(OCC(F)(F)F)c1ccccc1 1576157 FFUBSEWWUZRSPB-UHFFFAOYSA-N 306.142 3.782 0 40 DHAB Cc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(=O)O)cc1 1941793 CXPXSRHAVTUUQR-UHFFFAOYSA-N 324.332 3.540 0 40 DHAB CCn1c(SC(C)C)nc2sc3c(c2c1=O)CCCC3 2261949 ASFRRRHOBQUNJX-UHFFFAOYSA-N 308.472 3.857 0 40 DHAB COc1ccc(-c2nnc(SC)n2-c2ccc(C)cc2)cc1 2629292 KCEZHMLOINRXGE-UHFFFAOYSA-N 311.410 3.973 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)OCC(=O)c1ccc(Cl)cc1 3240779 WXLRFPFDASKFFY-LBPRGKRZSA-N 318.756 3.533 0 40 DHAB O=C(NCc1ccccc1Cl)NCc1ccccc1Cl 3426338 NNEWTFYPGINMGI-UHFFFAOYSA-N 309.196 3.993 0 40 DHAB CC(C)/N=C1\S/C(=C/c2ccc(F)cc2)C(=O)N1C(C)C 6324911 HUQCZHVORYBWGH-WZMAMLOKSA-N 306.406 3.915 0 40 DHAB CC(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3 6511842 KOBVSEIZNRYRFN-VIFPVBQESA-N 308.472 3.901 0 40 DHAB OC[C@@H](O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 6575861 YBBOKXSCIDZPQU-GOSISDBHSA-N 319.404 3.794 0 40 DHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccs1 7428430 ZIZDDZKMZPZTJM-UHFFFAOYSA-N 317.819 3.519 0 40 DHAB O=C(Nc1nc2c(s1)CCCC2)c1cccc2ncccc12 8708272 PJYXLKPVKHIWAL-UHFFFAOYSA-N 309.394 3.822 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)NC2CCCCCC2)c1 8923351 RZWGWDYQQYAWAO-UHFFFAOYSA-N 304.390 3.708 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C)cc1 9070877 KTUGIMQJFJFENM-UHFFFAOYSA-N 301.390 3.643 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1C 10765723 NOJKQMKEBHXYNC-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N1CCc2sccc2C1 10922095 XNRDYEPZFZGCFH-UHFFFAOYSA-N 310.422 3.747 0 40 DHAB COc1cccc(C(=O)Nc2cc(OC)c(OC)cc2Cl)c1 11013700 PQMJYSXBFURYOG-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB Cc1ccc(NC(=O)CCCNC(=O)c2cccs2)c(C)c1 12888435 DJRAMQCQGOOBPZ-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1 12918560 IJASMYOJFIBLMP-ZDUSSCGKSA-N 315.394 3.815 0 40 DHAB COc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 13631911 WBEMJZPAGOVDHR-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB CC(C)OCCCNC(=S)Nc1ccc(C(F)(F)F)cc1 17055278 LETUZHALFJTHMP-UHFFFAOYSA-N 320.380 3.807 0 40 DHAB Fc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 19372258 PZCLHRGQHOZABG-UHFFFAOYSA-N 308.356 3.769 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)N2CCCCCC2)cc1OC 22525750 GJWOSRDOJVEUGH-ZDUSSCGKSA-N 323.458 3.587 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c(C)s1 24070553 FLMMIKLHNQEJCJ-UHFFFAOYSA-N 307.440 3.654 0 40 DHAB COc1cc(OC)cc(C(=O)N(C)[C@H](C)c2cccs2)c1 24538442 UPNGIMBTSFJBHL-LLVKDONJSA-N 305.399 3.599 0 40 DHAB Cc1nc(NC(=O)Cc2ccc(-n3cccc3)cc2)sc1C 24575246 CGAVPIQCGAHTKF-UHFFFAOYSA-N 311.410 3.732 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3cccn3)nc2)cc1 29111424 RXWAQZIUYDTLDQ-UHFFFAOYSA-N 320.396 3.817 0 40 DHAB Cc1cccc(Cn2cc(NC(=O)NC3CCCCC3)cn2)c1 32609707 ZJAQXDGKHYPTDG-UHFFFAOYSA-N 312.417 3.694 0 40 DHAB Cc1cc(NC(=O)c2cc(C)oc2C)n(Cc2ccccc2)n1 32647651 HRKGREBMGWYWAW-UHFFFAOYSA-N 309.369 3.702 0 40 DHAB Cc1ccccc1CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 32754425 RMMULUDPOQNXBO-OAHLLOKOSA-N 317.454 3.592 0 40 DHAB CC1=C([N+](=O)[O-])[C@@H](C(Cl)(Cl)Cl)Oc2ccccc21 34929373 LOBRWRSKBZDJCS-JTQLQIEISA-N 308.548 3.826 0 40 DHAB C[C@H](OCCCNC(=O)Cc1ccc(F)cc1)c1ccccc1 40050734 VKDNLKSRZSGHGV-HNNXBMFYSA-N 315.388 3.652 0 40 DHAB C[C@@H]1CCCN(CCNC(=O)c2ccc(-c3ccccc3)cc2)C1 40110337 ZMQBFUQUPRFWIQ-QGZVFWFLSA-N 322.452 3.815 0 40 DHAB CN(Cc1ccncc1)C(=O)Nc1ccc(Br)cc1 40525288 GTUXNCCOJJGIFQ-UHFFFAOYSA-N 320.190 3.508 0 40 DHAB C[C@H](NC(=O)N1CCC[C@H]1c1ccsc1)c1ccccn1 43181379 CFWUOMGJGFRYAB-WFASDCNBSA-N 301.415 3.751 0 40 DHAB O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCc2ccccc21 47535417 BYTRORHSFIVUCX-UHFFFAOYSA-N 321.405 3.738 0 40 DHAB CCOC(=O)c1cnc2c(C)c(C)ccc2c1Br 47913121 UPJNAEXJBSXKCD-UHFFFAOYSA-N 308.175 3.791 0 40 DHAB Cc1cc2cc(NC(=O)CSCc3cccnc3)ccc2[nH]1 53463872 YUGPZYVQFWBJOU-UHFFFAOYSA-N 311.410 3.743 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)cc1C 55558768 VRINQSROMHRWOY-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CCCNc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72213142 OCHZIXQISLPVLR-QGZVFWFLSA-N 309.413 3.881 0 40 DHAB COc1ccc(-c2nc3ncccc3o2)cc1Br 73639231 JUIJRESTHCWSJC-UHFFFAOYSA-N 305.131 3.661 0 40 DHAB Cc1cc(CNC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)no1 73872603 OCEXQCNDRLMMGM-XHDPSFHLSA-N 317.389 3.567 0 40 DHAB CCSCC[C@H](C)N(C)C(=O)Nc1cccnc1Cl 75546343 VUZOFIZWBTUNQR-JTQLQIEISA-N 301.843 3.730 0 40 DHAB CCN(Cc1cccc(NCc2cccc(F)c2F)c1)C(C)=O 78975362 PZKUHHBKWRKYAF-UHFFFAOYSA-N 318.367 3.945 0 40 DHAB C[C@@H](Cc1nc2ccccc2s1)N(C)Cc1nccs1 79327825 ZCGDPYYHWPDHJG-NSHDSACASA-N 303.456 3.816 0 40 DHAB CN1CCN(c2nc(C(F)(F)F)cs2)Cc2ccccc21 83881732 WREJYQKBJMQGCZ-UHFFFAOYSA-N 313.348 3.618 0 40 DHAB COc1ccc(CN2CCS[C@@H](C)[C@H]2C)c(Cl)c1OC 93501686 HADVHZUUVZZYJR-MNOVXSKESA-N 315.866 3.683 0 40 DHAB O=C(Nc1ccncc1Br)C1(c2ccccc2)CC1 95436552 KIQSCYRJCLJFCE-UHFFFAOYSA-N 317.186 3.514 0 40 DHAB CC[C@@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccncc1 96434460 NIXBFAZUMFTZJK-MRXNPFEDSA-N 311.385 3.679 0 40 DHAB CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(F)cc1 96455440 OHANGDFMIMVAGQ-UHFFFAOYSA-N 316.376 3.538 0 40 DHAB CCC(C(=O)c1cccc(OC)c1)C(=O)c1cccc(OC)c1 100780535 AESSGVYSHMHJID-UHFFFAOYSA-N 312.365 3.796 0 40 DHAB CCc1ccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 101275387 BSCGREPGKRFNBS-SFHVURJKSA-N 322.408 3.610 0 40 DHAB NC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Cl)nc2c1 216921146 JHEVUARFOUVWCM-UHFFFAOYSA-N 306.152 3.636 0 40 DHAB CCc1ccc(OCC(=O)NCCCc2cccc(C)c2)cc1 218955609 KTMMABLCNCZYKM-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223206950 XUIWWXUGWBGMIA-OAHLLOKOSA-N 323.436 3.994 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 224611362 UMMZCZWRKVPVMW-OAHLLOKOSA-N 313.397 3.856 0 40 DHAB COc1cccc(C(=O)Nc2cccc(OC(C)C)c2)c1OC 225046002 BRTNIHMWZPLTLR-UHFFFAOYSA-N 315.369 3.743 0 40 DHAB Cc1cccc(OCC(=O)Nc2cc(Cl)c(C)cc2N)c1 226358791 KTXCPLKAWWECJO-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@@]31C2 257230656 GDHUPCWXMSHQGF-DINLJIAVSA-N 307.478 3.769 0 40 DHAB c1ccc(CO[C@@H]2CC3(CCOCC3)O[C@@H]3CCC[C@@H]23)cc1 257304910 SNPKVIMKTODYBU-KZNAEPCWSA-N 302.414 3.710 0 40 DHAB Cc1cnc(Nc2ccc(Br)c(C)c2C)nc1O 408979111 LJXHILCXUWMKTK-UHFFFAOYSA-N 308.179 3.614 0 40 DHAB COC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Br)cc21 575319667 FDKNCKJXYBUOCT-NSHDSACASA-N 322.202 3.913 0 40 DHAB C[C@@H](Sc1nnc(N2CCCC2)s1)c1ccc(F)nc1 585133169 YAHSFHGMCFHIKN-SECBINFHSA-N 310.423 3.526 0 40 DHAB COc1ccc(NC(=O)c2c(C)cc(Cl)nc2Cl)cc1 53023 DKTKUKMHGAPMBZ-UHFFFAOYSA-N 311.168 3.958 0 40 DHAB COc1ccccc1NC(=O)CSc1nc2ccccc2o1 181636 XVHOLOYSBGXKQB-UHFFFAOYSA-N 314.366 3.567 0 40 DHAB Cc1ncsc1CCOC(=O)C1C2CC3CC(C2)CC1C3 278004 UHGHYNSIIDJUMF-UHFFFAOYSA-N 305.443 3.610 0 40 DHAB aggregator Cc1cc(C)c2cc(C)c(SCC(=O)N3CCCC3)nc2c1 419218 PDUWMERDUSTRTE-UHFFFAOYSA-N 314.454 3.875 0 40 DHAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 491554 AMVQBUGDIOOFPQ-UHFFFAOYSA-N 304.802 3.775 0 40 DHAB COC(=O)c1[nH]c2ccccc2c1NC(=O)/C=C/c1ccccc1 544620 FLAJUZVOSXZFIZ-VAWYXSNFSA-N 320.348 3.606 0 40 DHAB CCc1cc2c(=O)n(CCc3ccccc3)c(S)nc2s1 3887578 IKXYRNSCOLECLT-UHFFFAOYSA-N 316.451 3.552 0 40 DHAB CC[C@H](C(=O)OC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 4028066 CVYSRSDCXNYQOA-GBESFXJTSA-N 315.457 3.988 0 40 DHAB biogenic CCCC[C@H](C(=O)Nc1cccc2c1O[C@H](C)C2)N(CC)CC 4062144 MIVCUTMQBVUNCD-RHSMWYFYSA-N 318.461 3.849 0 40 DHAB biogenic CCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21 5545950 MMCFRNMJJZCBLZ-UHFFFAOYSA-N 301.434 3.541 0 40 DHAB Cc1cccc(N2C(=O)S/C(=C/c3cccn3C)C2=O)c1C 5552678 JXMMPGOHDUPOBP-XNTDXEJSSA-N 312.394 3.883 0 40 DHAB Cc1cnc(C(=O)OCc2ccc(-c3ccccc3)cc2)cn1 6350495 UYNMDEHCNPZJET-UHFFFAOYSA-N 304.349 3.809 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2N2CCCC2)c1 7107191 ZOGSOGPMMSZMPJ-UHFFFAOYSA-N 324.424 3.921 0 40 DHAB COc1cccc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)c1 7503401 IUGCSHMJEWZARN-UVTDQMKNSA-N 312.756 3.669 0 40 DHAB Cc1cccc(NC(=S)NCC2(N(C)C)CCCCC2)c1C 7583676 IIQWRDGAVBVYJA-UHFFFAOYSA-N 319.518 3.854 0 40 DHAB C[C@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cn1 8150729 WJNLFPWLQBRBRY-VIFPVBQESA-N 310.781 3.993 0 40 DHAB CC1(C)COc2cc(NC(=O)C3CCCCC3)ccc2NC1=O 8959166 CTTFGUJOIKQCHZ-UHFFFAOYSA-N 316.401 3.563 0 40 DHAB COc1cccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)c1 9353839 NOBULEPDOVKVJO-HNNXBMFYSA-N 319.364 3.559 0 40 DHAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 12551850 HYJIKPROCUJWEN-MRXNPFEDSA-N 319.408 3.891 0 40 DHAB CCc1cccc2c(C3=CCN(c4ncccn4)CC3)c[nH]c12 12824938 SXHFLRVOJUMVOR-UHFFFAOYSA-N 304.397 3.814 0 40 DHAB Cc1ccccc1NC(=O)CSc1cnnc2ccccc12 12976699 CFXSARAUSHUWFP-UHFFFAOYSA-N 309.394 3.669 0 40 DHAB Fc1ccc(NCc2nnc(S)n2C2CCCCC2)cc1 13534682 ZVKIKPKRIMASHF-UHFFFAOYSA-N 306.410 3.823 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 14001613 HSFBROLRFRHZFH-UHFFFAOYSA-N 310.397 3.776 0 40 DHAB COc1ccc(OCCCC(=O)Nc2c(F)cccc2F)cc1 14402001 OESWBSVFYYIWFI-UHFFFAOYSA-N 321.323 3.771 0 40 DHAB Cc1nc2sccn2c1CN1CCc2sccc2[C@H]1C 19555083 MKQAJKDRMLZDOA-LLVKDONJSA-N 303.456 3.885 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(N)ccc1F 19736592 WSAHHIJHHNEHEW-HNNXBMFYSA-N 302.349 3.512 0 40 DHAB O=C(NCc1ccncc1)c1cc2c(ccc3ccccc32)o1 20567948 LQEZPGVIIBUUMN-UHFFFAOYSA-N 302.333 3.911 0 40 DHAB O=C(Cc1ccccc1Cl)NCCc1cccc(Cl)c1 23228791 HKNGKENGHBVZBS-UHFFFAOYSA-N 308.208 3.895 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(-c3ccccc3)n[nH]2)C1(C)C 25162515 NCMVYIVNXTXASO-UONOGXRCSA-N 310.401 3.649 0 40 DHAB C[C@@H](Cc1ccco1)NC(=O)N(C)Cc1ccc(Cl)s1 28415024 CUHLJEPHCLTNMV-JTQLQIEISA-N 312.822 3.767 0 40 DHAB Cc1ccc(F)cc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29483646 UCCKUEUTYWLRJK-GOSISDBHSA-N 312.388 3.692 0 40 DHAB O=C(CN1CCC[C@@H]1c1ccc(Cl)cc1)NC1CCCC1 32777626 YHPKNOHGOSLYNI-MRXNPFEDSA-N 306.837 3.536 0 40 DHAB O=S(=O)(NC1CCC(c2ccccc2)CC1)c1cccs1 32825740 RGOOBYZAMDKYFO-UHFFFAOYSA-N 321.467 3.753 0 40 DHAB CC(=O)c1ccc(OCCC(=O)Nc2ccc3c(c2)CCC3)cc1 32870983 BTGAOCISTRSVPL-UHFFFAOYSA-N 323.392 3.786 0 40 DHAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccccc3CC)C2=O)cc1 36635546 VVPHNUIOMNMXEZ-QGZVFWFLSA-N 322.408 3.555 0 40 DHAB CCOCCCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 42230948 ZREKCSVRDWVJPN-UHFFFAOYSA-N 315.417 3.518 0 40 DHAB CCc1ccc(C(=O)NCc2cccc(Br)c2)cc1 42353521 IOBHCPHBYXUFJX-UHFFFAOYSA-N 318.214 3.942 0 40 DHAB CCc1nc(NC(=O)CCc2ccc(F)c(F)c2)sc1C 44732579 STBMPJJHOSMRMT-UHFFFAOYSA-N 310.369 3.863 0 40 DHAB O=C(Nc1cccc(CNCc2ccccn2)c1)C1CCCC1 48781318 NLLFIMGQLQEMBY-UHFFFAOYSA-N 309.413 3.500 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2)c1 58160073 DTMCRDYHTUVPJB-UONOGXRCSA-N 310.397 3.567 0 40 DHAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@H]1c1ccc[nH]1 66612715 NGZHXRWBKUECBU-KRWDZBQOSA-N 321.380 3.955 0 40 DHAB O=C(NCc1cccnc1)N1CCC[C@H](c2ccccc2)CC1 66898235 KCNLBBWEXHURKK-SFHVURJKSA-N 309.413 3.561 0 40 DHAB O=[S@@](Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCO2 69460534 GKKSALXZGRNWAH-HXUWFJFHSA-N 308.786 3.518 0 40 DHAB C[S@@](=O)Cc1cc(NC(=O)c2cccs2)ccc1Cl 72285686 ASBDJWQPWAIYMO-IBGZPJMESA-N 313.831 3.532 0 40 DHAB CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2cc(C)ccc2C)C1 76068752 OJUOBLSTJBTCCS-CVEARBPZSA-N 320.502 3.848 0 40 DHAB CC(C)C[C@@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1 79104756 PZZDEJOAAYWWGM-HNNXBMFYSA-N 304.434 3.767 0 40 DHAB Cn1nc(-c2cccs2)cc1C(=O)Nc1ccc2[nH]ccc2c1 79501943 GLKFGRZFAUEZBS-UHFFFAOYSA-N 322.393 3.882 0 40 DHAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)NC(C)C 85471080 MPUPXUYBYPJPTG-UHFFFAOYSA-N 323.849 3.980 0 40 DHAB Cc1ccc(CN(C(=O)CSc2ccccc2O)C2CC2)o1 89656012 VPOJQEOJYZJGJC-UHFFFAOYSA-N 317.410 3.577 0 40 DHAB CC[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 95407207 VZNZXGQBLLTLOS-DZGCQCFKSA-N 315.369 3.617 0 40 DHAB Cc1cc([C@H](C)NC2CCN(C[C@@H]3CCOC3)CC2)c(C)s1 95422682 LWMKZZBJJMNJKS-HOCLYGCPSA-N 322.518 3.516 0 40 DHAB CS[C@@H](C)CCC(=O)OCc1ccc(OC(F)F)cc1 95983820 GTSQWGBAXWRSGJ-JTQLQIEISA-N 304.358 3.863 0 40 DHAB CC[C@H](NCc1ncccc1C(F)(F)F)c1nccs1 95988333 SRLSAXZJLRMEBR-JTQLQIEISA-N 301.337 3.798 0 40 DHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2ccncc2)o1 96433156 UESZHJKLQSQZGC-PBHICJAKSA-N 312.413 3.915 0 40 DHAB CCNCc1ccccc1NC(=O)c1cc(Cl)nc(Cl)c1 97019502 BXYLQZNBVHFFGC-UHFFFAOYSA-N 324.211 3.750 0 40 DHAB Cc1nn(-c2ccccc2)c(O)c1Sc1nc2ccccc2[nH]1 102089554 HOGKCFHIQQYQBD-UHFFFAOYSA-N 322.393 3.914 0 40 DHAB CSC1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 130077229 RBZPUAQPNVQIKY-RYUDHWBXSA-N 311.413 3.609 0 40 DHAB CCOc1ccc(C(=O)NCc2cccc(C)c2)cc1Cl 225300038 MSNFEIRZURACOR-UHFFFAOYSA-N 303.789 3.977 0 40 DHAB CCCOC(=O)c1cc(N)ccc1Nc1ccc(OCC)cc1 225479540 WYPYJWFVXHLZGD-UHFFFAOYSA-N 314.385 3.978 0 40 DHAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)C(C)(C)C)c1 226351997 AIXLRAAQVGHUIS-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB CC(C)N1CC[C@@H](Cc2ccnc(-c3ccnn3C(C)C)c2)C1 257325298 WSIKFYVOQGZJCX-KRWDZBQOSA-N 312.461 3.799 0 40 DHAB O=C(COCc1ccccc1)c1cccc(OC(F)(F)F)c1 394682221 CTHJWSSYIIYUTC-UHFFFAOYSA-N 310.271 3.985 0 40 DHAB O=C(c1coc(-c2ccccc2Cl)n1)N1CCC[C@H](F)C1 521262793 XITMWDTYFGOCKQ-JTQLQIEISA-N 308.740 3.569 0 40 DHAB C[C@@H](NC(=O)c1cnn(C)c1C(F)F)c1ccc(C2CC2)cc1 563945353 YYGBEAUBROBLQS-SNVBAGLBSA-N 319.355 3.726 0 40 DHAB Cc1nc(Nc2nccs2)cc([C@H]2CCCN(C(C)C)C2)n1 1615526380 XQNBYFYJBCYUNT-ZDUSSCGKSA-N 317.462 3.573 0 40 DHAB Cc1cc(C)c(C[C@H](CC(=O)O)NC(=O)OC(C)(C)C)c(C)c1 1772714797 WKBDGJNQXAHTKJ-CQSZACIVSA-N 321.417 3.522 0 40 DHAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccccc2)C(=O)O1 197232 BGGVKFPHGFTATE-NTEUORMPSA-N 313.740 3.693 0 40 DHAB COc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1OC 1582464 FYFJOEPQEMMEGT-LLVKDONJSA-N 316.353 3.593 0 40 DHAB COc1ccc(CCCc2cc3c(cc2OC)OCO3)cc1 1611661 MJBRHPOGDHBIKN-UHFFFAOYSA-N 300.354 3.608 0 40 DHAB O=C(CNCc1ccco1)N(C1CCCCC1)C1CCCCC1 3310073 OPISRSWDOLTISP-UHFFFAOYSA-N 318.461 3.863 0 40 DHAB Fc1ccccc1/C=C/c1nn2c(-c3ccncc3)nnc2s1 4540221 OJDAARAFPCJYPE-AATRIKPKSA-N 323.356 3.557 0 40 DHAB CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 5031764 ZTBMOOKXITVSAM-YAJHFMINSA-N 309.409 3.805 0 40 DHAB CC(C)(C)c1nnc2sc(Cc3ccc(Cl)cc3)nn12 5203711 NUPINYUSVCQRLG-UHFFFAOYSA-N 306.822 3.728 0 40 DHAB CC1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 5686210 GOJANQILHWLMMS-YDZRNGNQSA-N 311.510 3.557 0 40 DHAB Cc1ccc(OCCNC(=O)Nc2cccc(Cl)c2)cc1 5814553 ASXKFSMEYIRFET-UHFFFAOYSA-N 304.777 3.849 0 40 DHAB CCN1C2=C(C(=O)CCC2)C(c2ccco2)C2=C1CCCC2=O 6953070 RZHOCPMNTREIKH-UHFFFAOYSA-N 311.381 3.713 0 40 DHAB O=S(=O)(Nc1cccc2ccccc12)c1ccc(F)cc1F 7053563 CDTYEZRCUIFVOU-UHFFFAOYSA-N 319.332 3.919 0 40 DHAB Cc1cc(C(=O)CCC(=O)NCc2ccccc2C)c(C)s1 7976457 MCODQBKJXHVWMK-UHFFFAOYSA-N 315.438 3.953 0 40 DHAB CC(C)(C)[C@H]1CCc2c(sc3nc4n(c(=O)c23)CCC4)C1 7996749 FADJAHKFFXSUTF-JTQLQIEISA-N 302.443 3.555 0 40 DHAB COc1ccccc1CNC(=O)Cc1ccc2ccccc2c1 8115811 MESHVZDRRDNLJM-UHFFFAOYSA-N 305.377 3.707 0 40 DHAB COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1F 9366760 TZNXCEBSEDGMAR-UHFFFAOYSA-N 311.259 3.688 0 40 DHAB COc1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1C 10373006 KBYDLYDCTVQKKV-UHFFFAOYSA-N 309.409 3.855 0 40 DHAB CCC(CC)(CC(=O)N[C@H](C)c1cc2ccccc2o1)C(=O)O 10820159 MDMGMVPNLJJFFT-GFCCVEGCSA-N 317.385 3.891 0 40 DHAB Cc1cc(-c2cnc(N3CCC(C)CC3)nc2-c2ccoc2)on1 12252306 SSDOIEQKCQEUJK-UHFFFAOYSA-N 324.384 3.936 0 40 DHAB Cc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccccc2)no1 13495475 BXRLBRDSAHYFEF-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB COc1ccc(SCC(=O)Nc2cc(C(C)(C)C)no2)cc1 14240899 AHCQCIGVWJLEND-UHFFFAOYSA-N 320.414 3.712 0 40 DHAB Cc1ccc2nc(NC(=O)CSc3ccccn3)sc2c1 16584327 XYGDEOGOYXPJPJ-UHFFFAOYSA-N 315.423 3.731 0 40 DHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccs1 21961642 MCVVNIZJFMJSDQ-UHFFFAOYSA-N 314.454 3.664 0 40 DHAB CC(C)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27662149 ZVEFNYPLAVTPDN-MRXNPFEDSA-N 308.853 3.639 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(C(C)C)s1 27663474 XIUZAUYWESYDOA-NSHDSACASA-N 323.393 3.597 0 40 DHAB O=C(c1ccco1)N1CCCC[C@@H]1CCN1CCCCCC1 27995334 KFIVGKPMGUIZEO-MRXNPFEDSA-N 304.434 3.540 0 40 DHAB Cc1ccn(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)n1 28219823 NBGDGPPHKILHLQ-UHFFFAOYSA-N 310.332 3.964 0 40 DHAB Cc1cc(S[C@@H](C(=O)O)c2ccccc2)nc(C(C)C)n1 30822754 GUUAQCHBWTZRLJ-CQSZACIVSA-N 302.399 3.826 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)c[nH]1)O[C@@H](C)C2 32756308 CGBLAEDYELQMQB-VIFPVBQESA-N 320.776 3.643 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1cc(Cl)c(Cl)n1C 32809602 AXYMQIQROWKTBD-UHFFFAOYSA-N 311.168 3.787 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)Nc2cc(F)ccc2F)c1 35597159 XFTTWYHSHQXYOS-UHFFFAOYSA-N 320.339 3.782 0 40 DHAB O=C(C(=O)N1CCCCc2ccccc21)c1c[nH]c2ccccc12 36646390 WVPBTVSCGNMRHC-UHFFFAOYSA-N 318.376 3.720 0 40 DHAB CCOc1ccccc1CNC(=O)CCCOc1ccccc1 38753764 ZNFPABUDKHZXTK-UHFFFAOYSA-N 313.397 3.561 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc12 40069710 OTJAKWKPACYPGG-YPMHNXCESA-N 301.390 3.655 0 40 DHAB CN(C[C@@H](O)c1ccccc1Cl)[C@@H]1CCc2ccccc21 40105815 FJEXHQGYPHSXAD-QZTJIDSGSA-N 301.817 3.993 0 40 DHAB CCc1nc(NC(=O)c2cc(Cl)ccc2OC)sc1C 40118942 RXRXPQLMTPPEKD-UHFFFAOYSA-N 310.806 3.928 0 40 DHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccccc1F 40156076 YBIYLIZMMGBHFZ-ZDUSSCGKSA-N 322.383 3.995 0 40 DHAB COCc1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1 41097423 ILSGCEOHLTYUHZ-UHFFFAOYSA-N 305.381 3.969 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(OC)c(F)c2)cc1 44194929 RDWNYRKHYWPFJK-UHFFFAOYSA-N 306.362 3.652 0 40 DHAB C[C@H](NC(=O)CCCCC(=O)c1ccccc1)c1cccnc1 48242250 RLWUIMVUGHURKR-HNNXBMFYSA-N 310.397 3.702 0 40 DHAB CC(C)N(Cc1ccccn1)Cc1nc(-c2ccsc2)no1 48263166 GVNSYJGIWMAVBW-UHFFFAOYSA-N 314.414 3.604 0 40 DHAB Cc1cccc(CNCc2ccc(NC(=O)NC(C)C)cc2)c1 48784792 FBRSNRKZZDCDEG-UHFFFAOYSA-N 311.429 3.815 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCCn1cccn1 50310723 JTPKWSUKJOQMEL-AWEZNQCLSA-N 311.385 3.629 0 40 DHAB Cc1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)ccn1 58434599 LMRAEEQABIIRAA-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB O=C(CC1CCCCC1)N1C(=O)OC[C@H]1Cc1ccccc1 60110771 ZDGXSVLDHONTSD-MRXNPFEDSA-N 301.386 3.547 0 40 DHAB C[C@@H](c1ccc2c(c1)CCO2)n1c(=S)[nH]c2ccccc2c1=O 60791796 LDEIYBBJHQCZHX-NSHDSACASA-N 324.405 3.603 0 40 DHAB CCCC(C)(C)NC(=O)Cc1nc(-c2cccs2)oc1C 65042838 ZAFAINODJPEOQG-UHFFFAOYSA-N 306.431 3.949 0 40 DHAB Fc1ccc(-c2nn3c(-c4ccsc4)nnc3s2)cc1 66087733 VZFPWFLYUWHQNX-UHFFFAOYSA-N 302.359 3.720 0 40 DHAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)/C=C/c1ccccc1 69769402 HIFMNHIOEWMFQY-CMDGGOBGSA-N 318.380 3.686 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)C1CC1 71909582 DQJTWPMDLIJDDX-IPQOISQHSA-N 322.474 3.654 0 40 DHAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccccn3)cs2)s1 72404613 UWURNQPLWKIXGS-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB CCOc1ccc(N[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1C 79029963 DSSWFQAFGNPBDW-CYBMUJFWSA-N 323.396 3.803 0 40 DHAB Fc1ccc(-c2nc(CSC[C@@H]3CCCCO3)no2)cc1 84421711 RKISPFRNOMAWIG-ZDUSSCGKSA-N 308.378 3.678 0 40 DHAB C[C@@H](NCc1ccc([S@](C)=O)cc1)c1csc(C2CC2)n1 84667548 DGZMPYHTLQHXJD-WSVYEEACSA-N 320.483 3.609 0 40 DHAB C[C@@H]1CCc2c(C(=O)N(C[C@@H]3CCOC3)C3CC3)csc2C1 84700237 ICQFFOTVMGMZNU-OLZOCXBDSA-N 319.470 3.514 0 40 DHAB O=C(CCc1nc(C2CCCC2)no1)c1ccc(F)c(F)c1 88335954 KCMBXTIIFIFBSO-UHFFFAOYSA-N 306.312 3.821 0 40 DHAB CN(Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCSC1 89356051 IPQGVFLXCLXXMU-QGZVFWFLSA-N 314.454 3.598 0 40 DHAB Cc1nn(C)c2sc(C(=O)Nc3cncc4ccccc34)cc12 89568265 FCESPCPJAJDDBD-UHFFFAOYSA-N 322.393 3.744 0 40 DHAB CC(C)Cn1ccnc(S[C@H](C)c2ccc(F)cc2)c1=O 94151305 ZHXIVYVTIFOWCV-GFCCVEGCSA-N 306.406 3.892 0 40 DHAB CC(C)[C@@H](NC(=O)[C@@H]1CSc2ccccc21)c1ccncc1 95398499 DITYBNIWMMRVOK-NVXWUHKLSA-N 312.438 3.784 0 40 DHAB Cc1ccc(C(=O)C2CCN(c3ncc(C)c(C)n3)CC2)cc1 95449312 XZKJALKPHLPSKP-UHFFFAOYSA-N 309.413 3.501 0 40 DHAB COc1ccc([C@H](OC)[C@@H](C)NCc2ccccc2OC)cc1 95459061 ULAXSTQSVWGPCE-AUUYWEPGSA-N 315.413 3.570 0 40 DHAB Cc1cc(=O)c(C(=O)Nc2ccccc2Nc2ccccc2)c[nH]1 95992139 XYWAFODGIQAMEG-UHFFFAOYSA-N 319.364 3.679 0 40 DHAB CC(C)[C@@H]1CC(=O)Nc2ccc3nn(-c4ccccc4)nc3c21 96116713 QOHYTDZEVVLFJA-ZDUSSCGKSA-N 306.369 3.502 0 40 DHAB CC(C)N1C[C@H]2CCC[C@@H](C1)C2CC(=O)NCc1cccs1 96252232 UGTWYEUDIJLKRS-FKEKPDDDSA-N 320.502 3.511 0 40 DHAB O=C(C[C@H]1CCOC1)Nc1ccc(CNc2ccccc2)cc1 96449982 ZMCFDVYMWREFRK-MRXNPFEDSA-N 310.397 3.664 0 40 DHAB C[C@@H](Cc1cccnc1)OC(=O)Cc1cccc2ccccc12 97034380 FORDOPBOGMAKQZ-HNNXBMFYSA-N 305.377 3.952 0 40 DHAB Cc1c(Cl)cccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O 97949693 JQAQHDAWEYPENH-AWEZNQCLSA-N 313.784 3.771 0 40 DHAB C[C@H]1[C@H]2C[C@@H]([C@@H]([C@@H]3C(=O)[C@@H]4C[C@H]3C(C)(C)[C@H]4C)C2=O)C1(C)C 100314889 CTEHDPNSLFXLOZ-YDWXIUAXSA-N 302.458 3.981 0 40 DHAB CN1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 100493793 YIFZSCDNJWDJOA-UHFFFAOYSA-N 301.440 3.595 0 40 DHAB CC(C)(C)OC(=O)COc1c(Cl)cc(Cl)cc1C=O 145987594 ADCOAPVPYJOIQY-UHFFFAOYSA-N 305.157 3.526 0 40 DHAB Cc1ccc(SCC(=O)NCCOc2ccccc2C)cc1 223388369 XMNSIVKBKLWOCB-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224907810 OCMBTZIGXSNANE-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB Cc1ccc2oc(CCC(=O)NCC3CCCCC3)nc2c1 224947965 POTPUTIQEOANPK-UHFFFAOYSA-N 300.402 3.765 0 40 DHAB Cc1ccccc1C(=O)NCC[C@@H](O)c1cccc(Cl)c1 225607435 SQUHHLZUJZGANR-MRXNPFEDSA-N 303.789 3.502 0 40 DHAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)n1 257212554 CDXYYUXYFZAVQJ-LBPRGKRZSA-N 321.783 3.530 0 40 DHAB COC(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443221 QVPZOVHDZBPVES-UHFFFAOYSA-N 308.341 3.985 0 40 DHAB Cc1c[nH]cc1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 578005440 ISFOFIQMMFNGFS-UHFFFAOYSA-N 320.396 3.775 0 40 DHAB Cc1ccc2ncc(-c3cccc([C@H]4CCCN(C)C4)n3)n2c1 2037845539 AFCIRQABEVXKSJ-HNNXBMFYSA-N 306.413 3.514 0 40 DHAB COc1ccccc1OCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 525214 JHJULCXRUHSOCL-AUUYWEPGSA-N 317.429 3.501 0 40 DHAB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S1 975824 RRAONENOLKGLHR-KPKJPENVSA-N 305.742 3.924 0 40 DHAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)C(C)(C)C 1338226 WACVIHUXIMJFLW-UHFFFAOYSA-N 307.415 3.803 0 40 DHAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(F)c1)C3 2120855 QZJJWNDJHLCUMU-UHFFFAOYSA-N 311.312 3.597 0 40 DHAB biogenic O=c1c2ccccc2c(-c2ccc(O)cc2)nn1-c1ccccc1 2167253 FDEKMVXMEAAAFD-UHFFFAOYSA-N 314.344 3.758 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)NCCOc1ccccc1 2170515 VVACHYPCUDQISI-UHFFFAOYSA-N 322.408 3.686 0 40 DHAB O=C(COc1ccc(Cl)cc1)Nc1ccc2ccccc2n1 2631213 JQOOLCFDYSWWMC-UHFFFAOYSA-N 312.756 3.906 0 40 DHAB CNCc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 3351157 MYSYVLIMJRJIFS-UHFFFAOYSA-N 311.816 3.971 0 40 DHAB CCOc1cc(C)c(/C=C2/SC(=N)NC2=O)cc1C(C)C 4834937 FHCSUNOJDGGKQH-RIYZIHGNSA-N 304.415 3.656 0 40 DHAB CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1ccccc1F 5001233 GDTIMISYZVNPAE-UHFFFAOYSA-N 314.360 3.732 0 40 DHAB COc1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1 5442800 QLIDPLIVWZTLPH-IBGZPJMESA-N 309.409 3.822 0 40 DHAB COc1cc(CSc2ccccc2N)cc(OC)c1OC 5738337 CGCOFCOLILVSLM-UHFFFAOYSA-N 305.399 3.587 0 40 DHAB Cc1ccc(SCC(=O)NCCSc2ccccc2)cc1 6660017 CHGJFQIHFCFJJK-UHFFFAOYSA-N 317.479 3.996 0 40 DHAB Cc1cc2nc(NCCc3ccccc3)c3ccccc3n2n1 7735837 SPVFIOMZMJDURS-UHFFFAOYSA-N 302.381 3.846 0 40 DHAB O=C(O[C@H]1CCCCC1=O)c1ccc(OCc2ccccc2)cc1 8036290 UWGBIGLSIPHRDI-IBGZPJMESA-N 324.376 3.934 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 8706468 ZNZNWXFQZSKMHD-MRXNPFEDSA-N 309.344 3.679 0 40 DHAB Cc1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)on1 10811144 IPWZUNDWUAEPMO-UHFFFAOYSA-N 316.744 3.826 0 40 DHAB Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)c3ccncc3)nc2c1 12116174 MDVKBAGFNYKKHL-QGZVFWFLSA-N 320.396 3.634 0 40 DHAB Cc1cc2occ(CC(=O)NCCCc3ccccn3)c2cc1C 12148614 HHNQSGGHYLCCDG-UHFFFAOYSA-N 322.408 3.736 0 40 DHAB CCCCC(=O)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 12251342 XXHGEVSBEZXOKP-UHFFFAOYSA-N 303.381 3.598 0 40 DHAB CCc1nnc(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)o1 12443878 UDBQKBPJZRNBLO-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB Cc1cnc(NC(=O)CCSc2ccc(F)c(F)c2)s1 14168878 DASAQZRVOFTEHD-UHFFFAOYSA-N 314.382 3.851 0 40 DHAB O=C(Cc1cccc2ccccc12)NCc1nc2ccccc2[nH]1 16694816 NLJFSULVXBCPPF-UHFFFAOYSA-N 315.376 3.575 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)N1CCc2ccccc2C1 17116199 YZTFHOFIACTMMA-INIZCTEOSA-N 308.425 3.776 0 40 DHAB Cc1ccccc1Nc1ncnc2c1cnn2Cc1ccccc1 18145491 SKVAMPTUWGSEDX-UHFFFAOYSA-N 315.380 3.927 0 40 DHAB Cc1cnc2cc(C3CCN(Cc4ccc(F)cc4)CC3)[nH]c2n1 19239391 ALWKEXZBHHXTJU-UHFFFAOYSA-N 324.403 3.785 0 40 DHAB O=C(NCc1cccs1)c1occc1COc1ccccc1 22242710 YNHXJTIPHWLMPS-UHFFFAOYSA-N 313.378 3.850 0 40 DHAB c1ccc(C[C@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 25358656 GXGJTOAHVKMGDA-OAHLLOKOSA-N 309.369 3.537 0 40 DHAB O=C(Nc1ccc(Br)c2cccnc12)C1CCC1 27930386 VYFSZLBWGMAKJT-UHFFFAOYSA-N 305.175 3.736 0 40 DHAB C[C@H](NC(=O)/C=C/c1cccnc1)c1ccc(C(F)(F)F)cc1 30477336 MRNNHBLXMWDKTE-KFRNIWOLSA-N 320.314 3.991 0 40 DHAB Cc1nnc(CN2CCc3sccc3[C@@H]2c2cccs2)o1 32819579 XNBDCTKYIJYTRE-OAHLLOKOSA-N 317.439 3.649 0 40 DHAB COc1ccccc1NC(=O)c1cc(F)ccc1-n1cccc1 36352934 LPAVTZKYEHNIKZ-UHFFFAOYSA-N 310.328 3.877 0 40 DHAB CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 37619327 OSLLVFGCOKJNNK-NOZJJQNGSA-N 303.233 3.688 0 40 DHAB C[C@H](NC(=O)COCc1ccccc1Cl)c1ccc(F)cc1 40140807 SSGRUWIVHRRRPM-LBPRGKRZSA-N 321.779 3.873 0 40 DHAB COc1ccc(F)cc1[C@H](O)c1ccc(Br)cc1 40258217 CWROPZOCKAJURT-CQSZACIVSA-N 311.150 3.679 0 40 DHAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1 41076994 MQJLVAFOMYCWQP-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB CCc1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42770576 MUPNJFXNANJFDI-ZDUSSCGKSA-N 312.251 3.780 0 40 DHAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2OC)cc1 44902969 PREILGGUQUFIKM-UELRPHRMSA-N 311.381 3.594 0 40 DHAB COc1cc(-c2ccccc2)sc1C(=O)NCc1cccnc1 48189741 YVPUZOFTCXCXIM-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB CC(C)c1cccc(OCC(=O)N(C)Cc2ccsc2)c1 48332743 ZIZPGCNUZDHOAC-UHFFFAOYSA-N 303.427 3.909 0 40 DHAB CCN(C[C@H]1CCCO1)c1ncnc2sc3c(c12)CCCC3 48354058 HCKNGTIHUCIRNK-GFCCVEGCSA-N 317.458 3.575 0 40 DHAB COc1cc(Cl)ccc1C(=O)NCc1ccccc1Cl 49412348 DJVUNKKQQLSNEX-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB Cc1nc(S[C@H](C)CCc2ccccc2)sc1CC(N)=O 54916037 WKRZBTQKCISMFV-LLVKDONJSA-N 320.483 3.593 0 40 DHAB Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccco1 58323085 JNEZTNCYZHTBRY-UHFFFAOYSA-N 317.345 3.556 0 40 DHAB [O-][n+]1ccccc1SCCCCCn1cnc2ccccc21 69420109 YFTGXTLWJITJRQ-UHFFFAOYSA-N 313.426 3.632 0 40 DHAB Cc1nc(C(C)(C)NC(=O)Nc2cccc3ccccc23)no1 69435081 HPFWLUFTHAGVSK-UHFFFAOYSA-N 310.357 3.588 0 40 DHAB Cc1cc(-c2cnc(NCc3ccncc3)nc2C(C)(C)C)on1 72341138 DDTLJNVJMDKPCR-UHFFFAOYSA-N 323.400 3.745 0 40 DHAB CCc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(C)=O)cc1 72408157 JGPZPIXYFBDALJ-HXUWFJFHSA-N 322.408 3.955 0 40 DHAB Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc3ccccc3c2)c(=O)[nH]1 75122457 TZAKPFSPAPMQLZ-AWEZNQCLSA-N 320.392 3.670 0 40 DHAB CC1(c2nnc(Cc3cccc4ccccc34)o2)CCOCC1 75134653 MQKUWBDWEWOMMI-UHFFFAOYSA-N 308.381 3.882 0 40 DHAB C[C@H]1CCN(C(=O)CCCc2ccccn2)[C@@H](c2ccco2)C1 75389784 ZHFTYFBDCNZZJC-DOTOQJQBSA-N 312.413 3.997 0 40 DHAB CCc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)o1 89286776 OSGHUBVSVYDRNZ-UHFFFAOYSA-N 303.377 3.777 0 40 DHAB CC(=O)Nc1ccccc1CNc1ccccc1-n1ccc(C)n1 90201070 PADQHZCOFSTQKS-UHFFFAOYSA-N 320.396 3.751 0 40 DHAB O=C(CSC1CCCC1)N(CCc1cccs1)C1CC1 96025744 FLKNXXJGRITTAK-UHFFFAOYSA-N 309.500 3.957 0 40 DHAB c1ccc(N2CCC[C@@]3(CCN(Cc4ccsc4)C3)C2)nc1 96216636 YSMUSOLMXQKXMV-SFHVURJKSA-N 313.470 3.636 0 40 DHAB CC(C)Oc1ccc(CNCc2cccc3cn[nH]c23)cc1F 96460022 FUZMWTPTCSSOMB-UHFFFAOYSA-N 313.376 3.779 0 40 DHAB CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(COC)c2)C1 96466358 RSDPBNOHKNJPHX-CVEARBPZSA-N 322.474 3.971 0 40 DHAB CC(C)(C)OC(=O)N1CCc2cc(N[C@H]3CCCOC3)ccc21 97038044 SVZKTYJLRJBYCD-HNNXBMFYSA-N 318.417 3.575 0 40 DHAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 100292228 GMKLHNRYWLFCTM-QWHCGFSZSA-N 309.287 3.551 0 40 DHAB C[C@@H](NC[C@H](O)COCC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 104492839 LPUMTQRKKILSNT-BDUQCRIQSA-N 317.473 3.541 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCCc2ccccc2)c1 219067182 RDKLYSCCJBKGBX-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C 222813597 OSJMYMDJACHELM-KBPBESRZSA-N 317.483 3.832 0 40 DHAB Cc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccc(F)cc3)n2c1 223149321 NWDGKYMJTDNAFO-LBPRGKRZSA-N 311.360 3.581 0 40 DHAB CCNC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224285027 WMTYSOAIVXAXPO-UHFFFAOYSA-N 313.397 3.641 0 40 DHAB CCOc1ccccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 225104127 GFVITBXTYUQTDE-MRXNPFEDSA-N 320.772 3.813 0 40 DHAB Cc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)on2)c1 225900267 VFCOZNWHKAKAAZ-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2c3ccnn3[C@@H](C)C[C@H]2C)s1 245289836 FLFGIWXPCNBYRE-WVWOOGAGSA-N 315.442 3.743 0 40 DHAB O=C([C@H]1CCOc2ccccc21)N1[C@H]2CC[C@H]1c1ccccc12 265726427 PMYPOXGBKYURSW-BZSNNMDCSA-N 305.377 3.971 0 40 DHAB CCCn1c(Cc2ccccc2)nnc1Sc1ccccn1 409092465 YTXAPVXLCSHFKS-UHFFFAOYSA-N 310.426 3.825 0 40 DHAB CC(C)C[C@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1cccc1 575443330 LOPUMQCIXSEORH-RHSMWYFYSA-N 324.428 3.829 0 40 DHAB C[C@]1(O)C[C@]23CC[C@H]4[C@]5(C)CCC[C@]4(COC5=O)[C@H]2CC[C@H]1C3 2061001099 KLMZPLYXGZZBCX-SQBWRZAASA-N 318.457 3.687 0 40 DHAB COc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1OC 364251 OIUAHJIBXAUHKZ-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB Cc1nc(SCC(=O)OC(C)C)c2c(C)c(C)sc2n1 414755 WLTKDNXGHIOGAI-UHFFFAOYSA-N 310.444 3.660 0 40 DHAB CCN(CC)C(=O)CSc1nc2cc(C)ccc2cc1C 418671 JDZVHGXQIPCKKV-UHFFFAOYSA-N 302.443 3.812 0 40 DHAB Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 2966479 HKVOBOFLHBOLHL-NRFANRHFSA-N 321.444 3.645 0 40 DHAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccccc1Cl 3507092 CDDSDRJQBKLBGC-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1ccc(NC(=O)c2cc(-c3ccc(O)cc3)on2)cc1C 3907785 VHJDBPTUPPJQBN-UHFFFAOYSA-N 308.337 3.916 0 40 DHAB C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4104653 XLHAVSYGJGEONL-FQJWRULHSA-N 318.457 3.528 0 40 DHAB biogenic,in-vitro COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NC(C)(C)C)CC2 4222622 BZLGYSABVKPFDN-DZGCQCFKSA-N 317.473 3.968 0 40 DHAB biogenic,in-vitro C[C@@H]1CCCCN1CC(=O)NC(c1ccccc1)c1ccccc1 4968578 HUAVVMNRDYDBOF-QGZVFWFLSA-N 322.452 3.767 0 40 DHAB Cc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c1 5169599 MBTLLPFRMWVITB-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB CCn1cc(NC(=O)NCc2ccccc2OC)c2ccccc21 5266055 WZFMKHMTYOWWOW-UHFFFAOYSA-N 323.396 3.992 0 40 DHAB ClC(Cl)(Cl)c1nonc1C(Cl)(Cl)Cl 5567033 ZTWDPGQGAGUXFP-UHFFFAOYSA-N 304.775 3.723 0 40 DHAB O=C(COc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 5616671 HXSVIXPVAHEVFH-UHFFFAOYSA-N 322.719 3.512 0 40 DHAB Cc1ccc(-n2ncc3c(Nc4ccc(O)cc4)ncnc32)cc1 6660514 GERSLPOLJDOQPG-UHFFFAOYSA-N 317.352 3.573 0 40 DHAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc(C)c2)C1=O 6784565 BYGXOPAZHQAZAV-FQEVSTJZSA-N 322.408 3.742 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1cccc2cccnc12 9609048 IWHPWPRPMWHVGM-ZDUSSCGKSA-N 306.365 3.734 0 40 DHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCc2sccc2C1 10341153 FNQDPFPWNZZDGZ-NSHDSACASA-N 320.845 3.787 0 40 DHAB COc1ccccc1-c1nnc(SCc2ccc(F)cc2)[nH]1 10475527 RUHUSSAIYWKEJN-UHFFFAOYSA-N 315.373 3.912 0 40 DHAB Cc1nc2c(c(C)nn2-c2ccccc2F)c(C(=O)O)c1Cl 12396205 YSSWRFOBGKMMFR-UHFFFAOYSA-N 319.723 3.528 0 40 DHAB COc1ccc(-c2csc(Nc3ccccn3)n2)c(OC)c1 12536324 RCGTYUUDGXKFAB-UHFFFAOYSA-N 313.382 3.966 0 40 DHAB CC(C)c1ccccc1OCC(=O)N[C@H]1CCc2ccccc21 12905041 DZNAPRRXUHWDDX-SFHVURJKSA-N 309.409 3.993 0 40 DHAB O=C(Nc1ccccc1)c1ccc(Cl)c(N2CCCC2=O)c1 12927490 CTMMPTROEDENRX-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB O=c1c(Cl)c(Oc2ccc(F)cc2)c(F)c2n1CCS2 13689804 HZZDOECBHCWERZ-UHFFFAOYSA-N 315.728 3.678 0 40 DHAB Cc1ccc(C(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cn1 19214948 VFLILPCQUNABAU-NCXUSEDFSA-N 306.409 3.702 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(N)ccc1F 19736605 WGWAQNJCWOGGSB-MRXNPFEDSA-N 302.349 3.512 0 40 DHAB COc1ccc(N)cc1NC(=O)c1cc(Cl)cc(Cl)c1 19736736 NQOKXZMPSMXHQQ-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CC(C)CC[C@@]1(CCNCCN(C)C)CCO[C@@H](C(C)C)C1 20649281 SDZRWKJHFVQPCS-RTBURBONSA-N 312.542 3.785 0 40 DHAB O=C(Cc1noc2ccccc12)N[C@H](c1ccccc1)C1CC1 24027425 JEICHTFCFWZLBE-LJQANCHMSA-N 306.365 3.638 0 40 DHAB Cc1cccc(C)c1-n1c(S)nnc1COc1ccccc1 26439389 QNNRBYJWHIUVNH-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1 27692730 ICSNGSNTZFATHC-UHFFFAOYSA-N 314.694 3.684 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F 32907734 KOCMYDRBEGAQPC-WDEREUQCSA-N 319.298 3.685 0 40 DHAB O=C(c1cccc2cn[nH]c12)N(Cc1ccccc1F)C1CC1 37164094 MROXMPPTBVJNJC-UHFFFAOYSA-N 309.344 3.507 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1N 37274612 QEOUIERCCLRZEB-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CCOc1ccc(-c2noc(CNc3cccc(F)c3)n2)cc1 40071579 LIBCKMOKSQLSJJ-UHFFFAOYSA-N 313.332 3.887 0 40 DHAB Cc1nc2ccccc2nc1SCC(=O)N(C(C)C)C(C)C 48354927 YQCXXSVHHXCIMB-UHFFFAOYSA-N 317.458 3.676 0 40 DHAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccccc1 49466807 GVMBGGUZFSEUBM-ROUUACIJSA-N 323.392 3.852 0 40 DHAB CCCN1COc2c(Cl)cc3c(C)c(C)c(=O)oc3c2C1 57405667 YSAJMIJSUFEVGF-UHFFFAOYSA-N 307.777 3.625 0 40 DHAB O=C(Nc1nccn1CC1CC1)c1ccc(Cl)c(Cl)c1 58159535 OHPZGEYRTBLFCQ-UHFFFAOYSA-N 310.184 3.852 0 40 DHAB Cn1ccnc1Sc1ccccc1NC(=O)c1ccsc1 62580370 AADLPEYSHBZAKT-UHFFFAOYSA-N 315.423 3.885 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)N[C@H](c1cccs1)C(C)C 65457725 BUPMOYJHFMDNKG-HNNXBMFYSA-N 321.446 3.892 0 40 DHAB O=C(NCc1ccccc1)N(Cc1ccc(O)cc1)CC1CC1 72278379 MDLOWWAUWADGHP-UHFFFAOYSA-N 310.397 3.514 0 40 DHAB Cc1ccc2cccc(OCc3nccn3CC(F)(F)F)c2n1 75142776 XJWHTEVJSSIZQR-UHFFFAOYSA-N 321.302 3.881 0 40 DHAB CC(C)(C)[C@H](O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1 75157879 WGJDDAPQVZROIL-GFCCVEGCSA-N 318.339 3.624 0 40 DHAB CN(C)c1cccc(CNCc2c[nH]nc2-c2ccc(F)cc2)c1 78552663 MJPTUDCCUHXIEG-UHFFFAOYSA-N 324.403 3.572 0 40 DHAB c1ccc(Oc2ccc(-c3noc(COCC4CC4)n3)cn2)cc1 84556999 YYOVEISJBCXYJQ-UHFFFAOYSA-N 323.352 3.851 0 40 DHAB Cc1nccn1CCCCN[C@H](C)c1nc2ccccc2s1 95423165 KQFMKISPPPKERI-CYBMUJFWSA-N 314.458 3.932 0 40 DHAB CC[C@@H]1CC[C@@H](C)N1C(=O)c1sc(NC(=O)C2CC2)cc1C 95459201 OLUFLXSXATXKBX-DGCLKSJQSA-N 320.458 3.808 0 40 DHAB CC[C@@](CNC(=O)c1cc(C)oc1C)(OC)c1ccccc1 96123690 YHOARQZBGUWZHQ-SFHVURJKSA-N 301.386 3.578 0 40 DHAB Cc1nc(CCCC(=O)Nc2cccc(Cl)c2O)cs1 96456292 UIEMXNNCLRIAAO-UHFFFAOYSA-N 310.806 3.772 0 40 DHAB O=c1ccccn1CCCCNCc1cc2ccccc2s1 96466726 YWVWFGANHYYCST-UHFFFAOYSA-N 312.438 3.633 0 40 DHAB C[C@H](NCCCc1cccc(F)c1)c1ccc([S@](C)=O)cc1 96477394 GVABNABXBHEWNY-RCDICMHDSA-N 319.445 3.847 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccc(F)c2)CC1 100809409 IOXXRKVKEPGMAY-IYBDPMFKSA-N 322.424 3.751 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1 102763317 KQMOTYYULFGANT-HNNXBMFYSA-N 312.756 3.562 0 40 DHAB C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)[C@@H]1C[C@H]2CC[C@H]1C2 107451342 OSGFBVVBLYQODD-JMUJDXFESA-N 321.424 3.584 0 40 DHAB CCN(CC)C(=O)Cc1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1 108157398 MHYRJMPYMMEURK-BQFCYCMXSA-N 300.446 3.698 0 40 DHAB CC(C)SCc1cccc(NC(=O)NC[C@@H]2CC[C@H](O)C2)c1 195578939 ARJZLJJQDJXTPN-CJNGLKHVSA-N 322.474 3.611 0 40 DHAB COC(=O)c1ccc(OC)c(OCc2ccc(F)cc2Cl)c1 216804529 RTVPHTGPSWZRNU-UHFFFAOYSA-N 324.735 3.853 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)c2ccc3c(c2)CCCC3)c1 224052613 GEAHCEYRNOFGIL-UHFFFAOYSA-N 323.436 3.991 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225383875 UYJNTIIECNRJTE-CYBMUJFWSA-N 319.474 3.597 0 40 DHAB CCSc1nnc(NC(=O)CCc2ccc(C)c(C)c2)s1 225487688 RBNRERWQUDZLIW-UHFFFAOYSA-N 321.471 3.838 0 40 DHAB CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1 248024913 LJHWMEFOWPATJQ-PMACEKPBSA-N 323.436 3.855 0 40 DHAB Cc1ccc([C@](C)(O)CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 249399785 UPACQNHDQQWHFH-YRGRVCCFSA-N 305.340 3.506 0 40 DHAB CSC1(CNc2ncc(Cl)cc2Cl)CCOCC1 252497415 QGVWMQIYILSLEW-UHFFFAOYSA-N 307.246 3.713 0 40 DHAB CC(C)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257235356 GXMHMWOCXKXXDZ-HNNXBMFYSA-N 302.393 3.992 0 40 DHAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2ccc(C)s2)ccn1 257307787 TUCZBPXDOHWMLP-INIZCTEOSA-N 314.454 3.997 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc2conc2c1 409198398 FNXFMJCBDKZYCX-NSHDSACASA-N 309.394 3.976 0 40 DHAB COc1ccccc1-c1nnc(CO[C@@H]2CCC[C@@H](C)C2)o1 521393848 XVONGWYEGAKBDE-CHWSQXEVSA-N 302.374 3.841 0 40 DHAB CN1CCC[C@H](Cc2cccc(-n3cnc4ccccc43)n2)CC1 585263454 ZRZXYORSBPGCBI-INIZCTEOSA-N 320.440 3.695 0 40 DHAB O=C(CCc1c(Cl)cccc1Cl)N1Cc2cccnc2C1 585392455 BYGPQSJXSYVIJA-UHFFFAOYSA-N 321.207 3.863 0 40 DHAB Cc1ccc(S[C@H](CC(=O)c2ccc(F)cc2)C(=O)O)cc1 43122 ZDELAXGOJWRTKD-MRXNPFEDSA-N 318.369 3.952 0 40 DHAB O=C(O)/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 71260 QYHWXDNYHNFLSL-MDZDMXLPSA-N 317.728 3.712 0 40 DHAB COC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 216695 CZBKZZMQYVFYPA-XNTDXEJSSA-N 311.362 3.559 0 40 DHAB CC(C)N(C(=O)NC(=O)c1ccc(F)cc1)c1ccccc1 938253 YJBDAUQLUBSWLL-UHFFFAOYSA-N 300.333 3.591 0 40 DHAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1F)C3 2122644 FGEYDBOBYVUQRA-UHFFFAOYSA-N 311.312 3.597 0 40 DHAB biogenic CC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 3446626 XHSNUFLUWZOVDZ-KRWDZBQOSA-N 311.381 3.671 0 40 DHAB CCc1cccc(C)c1NC(=O)CN1c2ccccc2C[C@@H]1C 3536992 XLYUORHQYUJDQJ-HNNXBMFYSA-N 308.425 3.947 0 40 DHAB CC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 3608910 NJYASJKCLLBWGB-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccs2)N3)C1 4543281 LKIYLPRCLFRHAG-SDBXPKJASA-N 304.440 3.789 0 40 DHAB Cc1c(C(C)C)c2ccccc2n1CC(=O)NCc1ccco1 4702611 QPOQDCFPXWJIAJ-UHFFFAOYSA-N 310.397 3.983 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1sc2c(c1C(=O)O)CCC2 4888903 YBAABLZLODMXCY-MDZDMXLPSA-N 313.378 3.587 0 40 DHAB O=C(Nc1ccc2nsnc2c1)c1cccc(C(F)(F)F)c1 6220492 PWWXRUVWEJMICI-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB O=Cc1c(-c2ccc(Br)s2)nc2ccccn12 6849793 VPZSQUJYQITRNL-UHFFFAOYSA-N 307.172 3.638 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)NC1CCCCCC1 7807637 IZCTZTSUWYAWPJ-UHFFFAOYSA-N 315.442 3.966 0 40 DHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1n[nH]c2ccccc12 8346210 SAMQZXIQJHQTOX-UHFFFAOYSA-N 320.396 3.806 0 40 DHAB O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9060224 GKNKRZSLPHYRLG-GOSISDBHSA-N 319.408 3.859 0 40 DHAB Cc1nc(S[C@@H]2CCCCNC2=O)n(C2CCCCC2)c1C 10989699 VSZGTSZRYXQFEK-OAHLLOKOSA-N 321.490 3.766 0 40 DHAB Cc1nn(CN(C)Cc2ccccc2)c(=S)n1-c1ccccc1 12609055 KFJJROHUHGIDTA-UHFFFAOYSA-N 324.453 3.801 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 14009210 OHDQGGXTUWMSGY-OUKQBFOZSA-N 322.408 3.785 0 40 DHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 14171672 LDZIBXGPLKGDGR-HOTGVXAUSA-N 300.402 3.822 0 40 DHAB CC(C)n1cnn(CN2CCc3sccc3[C@H]2C)c1=S 14215016 JIELMZQLQIIPKO-LLVKDONJSA-N 308.476 3.633 0 40 DHAB CC(C)c1cc(C(=O)Nc2cccnc2)c2cnn(C(C)C)c2n1 15826882 NVLKIPSWOWHGRQ-UHFFFAOYSA-N 323.400 3.783 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2N)c1 20550539 XULNYNIIVBZDDE-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1cccc(NC(=O)c2cc3c(nc4sccn43)s2)n1 28195256 OJSVKQNGMHPIFM-UHFFFAOYSA-N 314.395 3.566 0 40 DHAB Cc1cccc(NC(=O)c2ccc(OCc3ccncc3)cc2)n1 29756866 ORCBBWDOANHIJG-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1C 32753767 WDHOZXLKSBIGLK-UHFFFAOYSA-N 300.333 3.653 0 40 DHAB c1ccc(-c2nnc(CSc3cnc4ccccc4n3)o2)cc1 32778378 QLJXEGMRBZZRDT-UHFFFAOYSA-N 320.377 3.972 0 40 DHAB COc1cccc2cc(C(=O)N[C@@H](C)Cc3cccs3)oc12 38565843 FQUADCMGEUUHAR-NSHDSACASA-N 315.394 3.864 0 40 DHAB O[C@H](CNCc1c(F)cccc1Cl)c1ccc(F)cc1F 40088607 SEVIHQXFPVWORK-OAHLLOKOSA-N 315.722 3.581 0 40 DHAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1cccs1 40121693 CXVRZOGUURGYLH-CYBMUJFWSA-N 303.427 3.955 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl 40526885 QIRBRTNRYPRADT-GHMZBOCLSA-N 323.824 3.808 0 40 DHAB Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)on1 41893746 KIURYTYOCAKGRX-YGRLFVJLSA-N 300.358 3.504 0 40 DHAB O=C(Nc1nncs1)N1CCC[C@H]1c1cccc(Cl)c1 47321174 HCSCGQVHBYVCKY-NSHDSACASA-N 308.794 3.561 0 40 DHAB CC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 48219219 LOVQQQIHTWBPLK-LLVKDONJSA-N 303.337 3.933 0 40 DHAB COc1c(C)cnc(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1C 50448715 LRJBFQZFERFCJE-HOCLYGCPSA-N 316.445 3.562 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)[nH]n1 53833207 DLRDHGLNWBNOQK-CQSZACIVSA-N 321.380 3.791 0 40 DHAB CN(Cc1cccc(Cl)c1)C[C@@H]1COc2ccccc2O1 58829213 UUUUHYQTRQDCGN-OAHLLOKOSA-N 303.789 3.612 0 40 DHAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(F)c(Cl)c1 60015245 MKUUMCOMJZMOGB-VIFPVBQESA-N 317.751 3.846 0 40 DHAB CCn1c(C)cc(C(=O)N[C@H]2CCOc3ccc(F)cc32)c1C 68480696 SMXUBDBGWCHVPC-INIZCTEOSA-N 316.376 3.518 0 40 DHAB Fc1cccc(Cl)c1CSc1ccc(-n2ccnc2)nn1 70688610 OTVKLJLBFPJYLE-UHFFFAOYSA-N 320.780 3.747 0 40 DHAB Cc1csc([C@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)n1 72298764 IAHFYGUCOZCAKB-LSDHHAIUSA-N 322.474 3.507 0 40 DHAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(-c2cncnc2)cc1 73250479 QKFUZQVRMYNEJU-RHSMWYFYSA-N 307.397 3.677 0 40 DHAB Cc1ccc([C@H]2CSCCN2C(=O)CCc2ccsc2)o1 76067488 OMPLJWUVCKPUPG-CQSZACIVSA-N 321.467 3.899 0 40 DHAB Cc1cc(C(=O)N2CCCSc3ccc(Cl)cc32)no1 79721438 MAWIMNCHQYAWFR-UHFFFAOYSA-N 308.790 3.779 0 40 DHAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(F)c1 89948707 RVJQIQFQXDVDQY-PMUMKWKESA-N 318.436 3.513 0 40 DHAB CCCOc1c(C)cc(-c2noc([C@H]3CCCCN3)n2)cc1C 95095400 KLGGHIGXDYLJET-OAHLLOKOSA-N 315.417 3.957 0 40 DHAB CCn1c(C)nnc1CN[C@H](c1cccc(F)c1)C1CCCC1 95985773 BBTBYOROXOPOJL-SFHVURJKSA-N 316.424 3.767 0 40 DHAB COc1ccc2ccccc2c1-c1cc(Cn2ccnc2)on1 95993801 GFJIXRBYZIHOPD-UHFFFAOYSA-N 305.337 3.748 0 40 DHAB O=C(CCn1ncc2ccc(Cl)cc21)NC1CCCCC1 96181963 ZQZOIUHINOWZCU-UHFFFAOYSA-N 305.809 3.529 0 40 DHAB Fc1ccc(C2(NC/C=C/c3ccco3)CCOCC2)cc1 96485903 HOKQNUWDMMDFDU-HNQUOIGGSA-N 301.361 3.727 0 40 DHAB O=C(/C=C/c1nc2ccccc2s1)Nc1ccc(Cl)nc1 103746875 JIVOTIGNRNHXGQ-BQYQJAHWSA-N 315.785 3.997 0 40 DHAB O=C1Nc2ccc(Br)cc2C[C@@H]1c1ccccc1 196806673 DYPMULWQJJLLBG-CYBMUJFWSA-N 302.171 3.728 0 40 DHAB CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 225213938 GIEICFOSJOJGJH-HZPDHXFCSA-N 302.462 3.693 0 40 DHAB Cc1cccnc1NC(=S)NCCSC1CCCCC1 225359277 DMASGSQIQXKUSE-UHFFFAOYSA-N 309.504 3.742 0 40 DHAB Cc1ccc(NC(=O)N2CCC=C(Br)C2)c(C)c1 225653222 KGCSKIOOCWEBSW-UHFFFAOYSA-N 309.207 3.820 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(N)c1 226265690 VHVPXLORRBZYMS-UHFFFAOYSA-N 309.413 3.820 0 40 DHAB COc1cc(N)cc(Cl)c1NC(=O)c1cccc(Cl)c1 227146714 IYSQUFGBDXJVOW-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc2c(c1)OCO2 245039109 OFNWQHDJSDXOBC-GFCCVEGCSA-N 323.348 3.523 0 40 DHAB C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1cn2ccccc2n1 584479738 FHAGZBDITYUJDK-IUODEOHRSA-N 311.360 3.648 0 40 DHAB CC(=O)N1CCC(NCC2CCC3(CCCCC3)CC2)CC1 585118417 NTXNPUPCVNQGMP-UHFFFAOYSA-N 306.494 3.728 0 40 DHAB Cc1noc(C)c1C(=O)NCCc1ccc(-c2ccco2)s1 2086896836 MKFNYPSCLCXUFJ-UHFFFAOYSA-N 316.382 3.585 0 40 DHAB COc1ccccc1CNc1ncc(-c2ccc(F)cc2)n1C 819098 MIHBFNUGPVYAJN-UHFFFAOYSA-N 311.360 3.847 0 40 DHAB CCCCC(=O)NC(=S)Nc1ccccc1N1CCCCC1 2159903 HOWUELODSAXZIY-UHFFFAOYSA-N 319.474 3.680 0 40 DHAB O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1CCCC1 2786687 CHVXMQHDSUAUDP-UHFFFAOYSA-N 305.761 3.748 0 40 DHAB COc1ccc(C)cc1NC(=O)COc1ccc(Cl)cc1 3514980 FNEMLAXOTDSMPP-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB CC(C)C(=O)N(C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4223340 ZHNYWGVHWHAJRW-UHFFFAOYSA-N 319.474 3.625 0 40 DHAB CCC(=O)O[C@@]1(Cc2ccc(CC)cc2)C[C@H](C)N(C)C[C@@H]1C 4474249 KOYICGYXDCTHSW-TWOQFEAHSA-N 317.473 3.844 0 40 DHAB COc1cccc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c1 4550153 MJFRQUQUSZYFNX-UHFFFAOYSA-N 312.394 3.855 0 40 DHAB CC(C)CC(=O)NC(NC(=O)CC(C)C)c1ccccc1Cl 4747652 CESKUEIVIFRNPA-UHFFFAOYSA-N 324.852 3.663 0 40 DHAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccccc1 5604162 HMKZVAZQKOKXRZ-UHFFFAOYSA-N 302.182 3.794 0 40 DHAB O=c1oc2ccccc2cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1 5704902 WQDVHGGYPJKNJT-OAHLLOKOSA-N 324.767 3.885 0 40 DHAB S=c1[nH]nc(Cc2cccs2)n1CCc1ccccc1 6451273 HZINQVVGJTZKCS-UHFFFAOYSA-N 301.440 3.836 0 40 DHAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc(Cl)cc2Cl)C1 7811658 GEYBUZJLFQNYDK-QWRGUYRKSA-N 315.244 3.910 0 40 DHAB C[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1 7909188 KJUZGUMUYUWTCV-AWEZNQCLSA-N 321.380 3.547 0 40 DHAB O=C(Nc1nnc(-c2ccco2)s1)c1cc2ccccc2o1 9544366 BIQWTVFFTFNWEX-UHFFFAOYSA-N 311.322 3.797 0 40 DHAB Cc1ccc(-c2cc(CNC(=O)Cc3ccc(F)cc3)no2)cc1 12235598 RCJPKHWBQCGLLC-UHFFFAOYSA-N 324.355 3.648 0 40 DHAB COc1ccccc1NCc1cc2cc(C)c(C)cc2[nH]c1=O 12493409 HGZMVHZQZBPJAR-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB COc1ccccc1-c1noc(CN2c3ccccc3C[C@@H]2C)n1 12555348 YWTZZWRJTMNNGN-ZDUSSCGKSA-N 321.380 3.696 0 40 DHAB COCCSc1nnc(Nc2ccc(C)c(Cl)c2)s1 12771143 DFQBUVZRBPXCRZ-UHFFFAOYSA-N 315.851 3.982 0 40 DHAB Cc1ccccc1CC(=O)Nc1ccc(C(=O)OC(C)C)cc1 12806778 HLRCMXSFXHWHJT-UHFFFAOYSA-N 311.381 3.741 0 40 DHAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 12817466 TWYJRVHSYPDYEP-ZDUSSCGKSA-N 321.417 3.818 0 40 DHAB CCOc1ccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)cc1 12982365 FNTXRPSAGWHVRI-LJQANCHMSA-N 324.424 3.521 0 40 DHAB Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H](C)C2)cc(C)c1Cl 13676111 XOUASRJDMGZXOV-BXUZGUMPSA-N 309.837 3.983 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1ccccc1OC(C)C 14664047 QVVSWCFFYNYALO-UHFFFAOYSA-N 313.353 3.513 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 15316414 XVFOXJIPHMHSHI-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 18051544 IJWQZPJVSBDCPK-UHFFFAOYSA-N 321.380 3.575 0 40 DHAB aggregator,in-vitro CC(C)(C)c1noc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)n1 19084611 SVTNAKXPBOQHPC-LBPRGKRZSA-N 321.371 3.635 0 40 DHAB CCOCc1cc(C(=O)NC2CCCCCC2)ccc1OC 26566508 LYTNSEMWOFMPEB-UHFFFAOYSA-N 305.418 3.684 0 40 DHAB Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)c2c(C)noc2n1 26867085 WKOHEJARGVCLDL-UHFFFAOYSA-N 307.353 3.581 0 40 DHAB Cc1nc(CCNC(=O)c2ccc(C(C)(C)C)cc2)cs1 27990531 TYVVZGYKDQWAHV-UHFFFAOYSA-N 302.443 3.722 0 40 DHAB C[C@@H]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(F)cc2)[C@@H]1C 31002188 RMCQFOGBBKNGBI-XJKCOSOUSA-N 307.409 3.924 0 40 DHAB Cc1ccccc1CC(=O)Nc1cccc(Oc2cnccn2)c1 32817540 HDTUSKPABQYRBM-UHFFFAOYSA-N 319.364 3.759 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)NCCc1ccccc1)n2C 35558618 XNXFYPDFPOVZEI-UHFFFAOYSA-N 322.408 3.550 0 40 DHAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CCC[C@H]1c1ccccc1 35571162 QJJFWVCMROGUPE-KBPBESRZSA-N 305.374 3.602 0 40 DHAB in-vitro Cc1cc(C(=O)NCc2cc(-c3cccs3)on2)c(C)o1 36662389 HGODBFXECAJRDO-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB COC(=O)c1ccc(OC)cc1OCc1ccccc1Cl 36719666 ARLUVJNGBNBZRQ-UHFFFAOYSA-N 306.745 3.714 0 40 DHAB COc1cc(OC)cc(C(=O)N2CCCCc3ccccc32)c1 40133978 MXPHMDIAKAQTIK-UHFFFAOYSA-N 311.381 3.687 0 40 DHAB Cc1c(C)n(Cc2ccccn2)c2nc3c(c(N)c12)CCCC3 40287428 IAELGPPGZPDYBG-UHFFFAOYSA-N 306.413 3.557 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Oc2ccc3c(c2)CCC(=O)N3)C1(C)C 42887299 BYQDQLKEODSFHT-WMLDXEAASA-N 313.397 3.715 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccccc2SC)cc1 44818475 QLQKMCJNTDHTCE-UHFFFAOYSA-N 301.411 3.689 0 40 DHAB O=C(Nc1nccs1)c1cccnc1Nc1cccc(F)c1 44850176 KTBZCCTXDLDXFP-UHFFFAOYSA-N 314.345 3.673 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(C)nc1 46871784 JJWNZRVNDQHWMD-HNNXBMFYSA-N 315.442 3.671 0 40 DHAB CCOc1ccc2cccc(NC(=O)Cc3cccs3)c2n1 49415098 BIWZMYBWJWRIGM-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB O=c1[nH]c(COc2ccccc2)nc2scc(-c3ccco3)c12 54753412 RBSXYZHHGNFNJH-UHFFFAOYSA-N 324.361 3.824 0 40 DHAB Cc1cc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)c(C)o1 56907243 KSYQFVQBACYLGB-UHFFFAOYSA-N 323.308 3.945 0 40 DHAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 59227309 DQLWIBXWEJENDK-INIZCTEOSA-N 322.408 3.549 0 40 DHAB O=C(Nc1ccc2c(c1)CCN2)c1ccccc1Br 63188049 JLIQTXQBBBPCIH-UHFFFAOYSA-N 317.186 3.669 0 40 DHAB CN(c1ccccc1)c1ccccc1C(=O)NCc1nccs1 65565428 UJQOSIJEIKACBJ-UHFFFAOYSA-N 323.421 3.841 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(OC)c(F)c2)cc1F 71325933 KOZSNUCTLMVUMF-UHFFFAOYSA-N 324.352 3.791 0 40 DHAB Cc1cnn(C[C@@H]2CCCN2Cc2coc(-c3ccccc3)n2)c1 71875820 ZXLKDPGTJCLSOI-SFHVURJKSA-N 322.412 3.511 0 40 DHAB CCCN(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 71909593 CKEJDKICWFYEAU-NRFANRHFSA-N 310.463 3.608 0 40 DHAB CC(C)Oc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72211956 GDWDXIFUAMUAMW-AWEZNQCLSA-N 306.406 3.941 0 40 DHAB CC(C)(C)Oc1ccccc1CNC(=O)c1ccncc1Cl 73138716 VCHSJBHZNXRIMP-UHFFFAOYSA-N 318.804 3.842 0 40 DHAB O=C(COc1ccccc1F)N1CCC(c2ccsc2)CC1 75157118 GOIXOIRONQYLIE-UHFFFAOYSA-N 319.401 3.672 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1C 82087333 PDFLDYOYTDFPTO-DLBZAZTESA-N 323.392 3.817 0 40 DHAB C[C@@H](CCn1cncn1)N[C@@H](C)c1cc2cc(Cl)ccc2o1 90034592 HLDUSLIEUJBYKV-RYUDHWBXSA-N 318.808 3.807 0 40 DHAB C[C@@H]1CCN(C(=O)CCCSC(C)(C)C)C[C@@H]1n1ccnc1 95436202 CKIQXHIHUYRKBJ-CABCVRRESA-N 323.506 3.605 0 40 DHAB O=C(N[C@@H](c1nccs1)C1CC1)c1cc2c(s1)CCC2 96425542 JMUVFELGOKSYBA-CYBMUJFWSA-N 304.440 3.574 0 40 DHAB Cc1ccc(S(=O)(=O)[C@]23N=NC(C)(C)[C@H]2[C@H]2CC[C@H]3C2)cc1 104008694 IPYMFJUSQDLQNW-LBEHMCEESA-N 318.442 3.756 0 40 DHAB CCc1ccc(OCCNC(=O)c2ccccc2Cl)cc1 223369747 BRWFYSXXJMZSKK-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB CCSc1nnc(NC(=S)Nc2ccc(C)cc2)s1 225456616 JDKHAONPTGGIMM-UHFFFAOYSA-N 310.473 3.767 0 40 DHAB COc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1C 225743281 YRGFRZSLTKHPGS-UHFFFAOYSA-N 323.443 3.608 0 40 DHAB Cc1cc(C)c2oc(-c3cc(Br)c[n+](C)c3)nc2c1 226774893 FVYXQXAADKBDRI-UHFFFAOYSA-N 318.194 3.699 0 40 DHAB Cc1noc(C)c1C(=O)N[C@H](C)Cc1csc2ccccc12 575621765 TZPWWKVTYUXMMO-SNVBAGLBSA-N 314.410 3.867 0 40 DHAB CC(C)N1CCC(N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)CC1 1615153609 ALSQFUQFYJXCQL-QFBILLFUSA-N 308.510 3.529 0 40 DHAB CCNC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccc(C)o1 1016867 PDLGWEMTTNFEIV-OAHLLOKOSA-N 313.426 3.634 0 40 DHAB CN(C)c1nn(C(=O)Nc2ccccc2)cc1-c1ccccc1 1384667 GWUFCMBKHHQWSC-UHFFFAOYSA-N 306.369 3.696 0 40 DHAB C[C@H](CCOCc1ccccc1)CN1C(=O)c2ccccc2C1=O 2518268 KANPWWMRBFPDHL-OAHLLOKOSA-N 323.392 3.526 0 40 DHAB O=C1CCN(C(=O)OCc2ccccc2)[C@@H](Cc2ccccc2)C1 2553961 FHWSBHQDWGADKI-SFHVURJKSA-N 323.392 3.599 0 40 DHAB Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1C=O 2650211 OPDZHVNEIAFEDB-UHFFFAOYSA-N 319.408 3.806 0 40 DHAB Fc1ccc([C@H]2C[C@H](C(F)(F)Cl)n3nccc3N2)cc1 2766622 NRRGYTCDQCVTCU-GHMZBOCLSA-N 301.699 3.952 0 40 DHAB O=C(NCc1cccc(Cl)c1)NCc1cccc(Cl)c1 3426276 QOKBRBQCCXTRQN-UHFFFAOYSA-N 309.196 3.993 0 40 DHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 3613530 WGMMIJAUFFXYHC-UHFFFAOYSA-N 315.388 3.818 0 40 DHAB CCC(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120456 OBSPBQHRZXZJKC-UHFFFAOYSA-N 316.348 3.547 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC1=CCCCC1 4163525 OCVNBHWCDKBMOU-UHFFFAOYSA-N 310.397 3.666 0 40 DHAB CC[C@@H]1CCCCN1CC(=O)c1c[nH]c2cc(OC)ccc12 5217321 VTKIURCEIWAMDE-CYBMUJFWSA-N 300.402 3.624 0 40 DHAB O=C(Nc1ccc(C2=NCCO2)cc1)Nc1cccc(Cl)c1 5568710 HZWBENLRUPRJFS-UHFFFAOYSA-N 315.760 3.761 0 40 DHAB COCCN1C(=O)C2=C(CCCC2)[C@@H]1c1cn(C)c2ccccc12 6079737 ZRFIGPLRZJUQAF-LJQANCHMSA-N 324.424 3.579 0 40 DHAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 6811204 PHTJANINUXLXFV-UHFFFAOYSA-N 323.348 3.752 0 40 DHAB NC(=O)c1ccccc1OCc1cc2ccccc2nc1Cl 7425282 LIGBUQZOLLUPIG-UHFFFAOYSA-N 312.756 3.566 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1 7755544 FKZCGEFZRDCMME-GOSISDBHSA-N 306.365 3.589 0 40 DHAB CSCc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 8775534 SAVXTROIAKUIJD-UHFFFAOYSA-N 307.444 3.777 0 40 DHAB O=C(CCc1ccsc1)Nc1nc(-c2cccnc2)cs1 9157814 BALHKOZZEPXYEY-UHFFFAOYSA-N 315.423 3.838 0 40 DHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C)c1 9356008 QXQRGLOVYZLBQJ-CQSZACIVSA-N 310.397 3.776 0 40 DHAB Cc1cc(C(=O)NCC2(N3CCCCC3)CCCCC2)c(C)o1 9365754 JJVPVAMZCVVTAV-UHFFFAOYSA-N 318.461 3.815 0 40 DHAB c1ccc2oc(C3CCN(CCc4ccncc4)CC3)nc2c1 9515024 MCTUKZZCCYNNOV-UHFFFAOYSA-N 307.397 3.645 0 40 DHAB CCCCCn1c(SCC(=O)NC(C)C)nc2ccccc21 11487842 SPBXLSWSFFXVCG-UHFFFAOYSA-N 319.474 3.843 0 40 DHAB C[C@H](Sc1nncs1)C(=O)C12CC3CC(CC(C3)C1)C2 12622900 AQOCBHQERKSAFJ-RXOVYUGGSA-N 308.472 3.804 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc2nccnc2c1 12904712 KCJUTESXCWIYCO-UHFFFAOYSA-N 324.340 3.631 0 40 DHAB CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3O2)cc1 12972254 VGPXVQOXOGWPJU-KUHUBIRLSA-N 309.409 3.991 0 40 DHAB CC(C)(C)SCCNC(=O)CCSCc1ccccc1 13688030 MELWBQVUTRDBRW-UHFFFAOYSA-N 311.516 3.958 0 40 DHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cccc(F)c1 14247052 ITGJGYDQKRNBGG-AWEZNQCLSA-N 305.349 3.932 0 40 DHAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(C2=NCCO2)cc1 19074357 GAHIAPCEPGTZMC-UHFFFAOYSA-N 315.760 3.761 0 40 DHAB CC(C)(C)C(=O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21 20130544 HRJQSJOMWSYYBO-UHFFFAOYSA-N 321.424 3.586 0 40 DHAB CCN(Cc1ccncc1)C(=O)Nc1ccc(F)c(Cl)c1 20514236 CXUPTMYRHHUIOG-UHFFFAOYSA-N 307.756 3.928 0 40 DHAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCCCCC1 21897492 YXPAHGGJWGZTMP-UHFFFAOYSA-N 309.413 3.766 0 40 DHAB COc1ccc(C)cc1NC(=O)COc1ccc(F)c(Cl)c1 22699998 FOLIIHASDYINJC-UHFFFAOYSA-N 323.751 3.814 0 40 DHAB Cn1c(NC(=O)CCc2ccc(Cl)cc2)nc2ccccc21 28244581 ZOOFMOJGYYMKFG-UHFFFAOYSA-N 313.788 3.798 0 40 DHAB Cc1c(C(=O)NCCN(C(C)C)C(C)C)oc2ccc(F)cc12 32819057 FJLHYAKKOCABSI-UHFFFAOYSA-N 320.408 3.729 0 40 DHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCCC1 40051018 BIQHLNOBSZWCCF-UHFFFAOYSA-N 301.308 3.734 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@H]3CCC[C@H](C)C3)cc12 40069711 OTJAKWKPACYPGG-AAEUAGOBSA-N 301.390 3.655 0 40 DHAB COc1cccc(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 41283522 LNZHFGSPOCXOPS-CYBMUJFWSA-N 307.434 3.794 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C)c(C)o2)c1C 47558812 FLHLULWNZOKOQO-GFCCVEGCSA-N 320.414 3.802 0 40 DHAB CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnccn1 55737051 OTRXHSWQAKOWJC-UHFFFAOYSA-N 324.211 3.834 0 40 DHAB CC[C@H](C)C(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 58208808 DQPSXXLOXFKUOY-JTQLQIEISA-N 307.344 3.503 0 40 DHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)/C=C/c1ccsc1 58314494 MTJQWNFWVHMSMU-NSCUHMNNSA-N 322.336 3.637 0 40 DHAB O=C(NC1CCCCCCC1)[C@H](c1ccccc1)n1cccn1 58415866 QLDWQOVWFQEUHM-SFHVURJKSA-N 311.429 3.702 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N(C)[C@H]1CCc2ccccc21 58426266 GXRHBPQALLZXNW-HNNXBMFYSA-N 318.804 3.715 0 40 DHAB Cc1cc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)on1 61750549 FTZZAVXTNRHGPU-UHFFFAOYSA-N 315.373 3.626 0 40 DHAB COc1cccc(NC(=O)N[C@@H](C)COc2ccc(C)cc2)c1 62648386 YNDFIYGSOHEOMD-AWEZNQCLSA-N 314.385 3.593 0 40 DHAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(SC)cc1 64572310 OSRWHMBNYWKPKS-UHFFFAOYSA-N 321.467 3.619 0 40 DHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 66146197 WSMKTLBZMYRCPA-GFCCVEGCSA-N 313.353 3.814 0 40 DHAB CCCc1ncn(Cc2nc(-c3cc(F)cc(F)c3)oc2C)n1 67641784 OQJBFWMQLDWGNO-UHFFFAOYSA-N 318.327 3.521 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)CCCc2ccccn2)cc1 69351601 XGMFFUHLYUEMIW-OAHLLOKOSA-N 312.413 3.680 0 40 DHAB O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@@H]1C[C@@H]1c1ccco1 69563004 UMGYCEPRKDSVPE-OUCADQQQSA-N 317.772 3.677 0 40 DHAB Cc1noc([C@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 69593737 KPDRBKWGRLBQEM-VIFPVBQESA-N 316.792 3.632 0 40 DHAB CC(C)Oc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72211966 FGKXWMHYDFGLQA-KRWDZBQOSA-N 310.397 3.846 0 40 DHAB CC(C)N1CCOC[C@H]1c1nc(-c2ccc(Cl)s2)c[nH]1 72321979 CQQROEIBXSQUNJ-NSHDSACASA-N 311.838 3.573 0 40 DHAB biogenic,in-vitro CC1(C)C[C@H](NC(=O)CC2(n3cccc3)CCCCC2)CCO1 85874967 ZCLZODKSRZEXNU-MRXNPFEDSA-N 318.461 3.611 0 40 DHAB biogenic CC(=O)c1csc(C(=O)N2CCCc3c(F)ccc(F)c32)c1 89291940 LZUOHZXBINJLPT-UHFFFAOYSA-N 321.348 3.822 0 40 DHAB CCn1c(CSC2=N[C@H](C)CS2)nc2c(F)cccc21 89305346 NTRBCJOKUCOIFR-SECBINFHSA-N 309.435 3.920 0 40 DHAB CCn1c(C)nnc1CSCc1ccc(F)c2cccnc12 91028424 IDRXYUPJDCEUIC-UHFFFAOYSA-N 316.405 3.727 0 40 DHAB COCc1cc(CN[C@H](C)c2ccc3c(c2)OCO3)ccc1F 95422714 JVEIYRQRVXBXRH-GFCCVEGCSA-N 317.360 3.552 0 40 DHAB Cn1cc(CNc2cccc(CSc3ccccn3)c2)cn1 95428860 SATSEFFWRPXUIP-UHFFFAOYSA-N 310.426 3.720 0 40 DHAB COCC(=O)Nc1ccc(NCc2cc(Cl)ccc2F)cc1 95435682 VFTINQNCMAPESC-UHFFFAOYSA-N 322.767 3.676 0 40 DHAB CC[C@H](NC(=O)CCc1c(C)noc1C)c1ccc(OC)cc1 95953063 VRBKEBSSFYZICA-KRWDZBQOSA-N 316.401 3.500 0 40 DHAB c1ccc([C@@H]2CO[C@@]3(CCCN(Cc4ccncc4)C3)C2)cc1 96073461 QJMNXUCVMXNXRP-PMACEKPBSA-N 308.425 3.620 0 40 DHAB O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H]1c1ccsc1 96418232 SYBVMKBBLCTUPQ-GDBMZVCRSA-N 317.385 3.554 0 40 DHAB COC(=O)Nc1cccc(N[C@H](C)c2cnn(C(C)C)c2)c1 97037482 KSHUVABAPWIEOH-GFCCVEGCSA-N 302.378 3.815 0 40 DHAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccncc1F 97135628 HXPGYGJRTOAZQO-VIFPVBQESA-N 309.291 3.724 0 40 DHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCC1=CCCCC1)CC2=O 100748611 KOICUIWFWHIGGC-OALUTQOASA-N 303.446 3.779 0 40 DHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)NC(=O)c2cccs2)C1 102196965 BAKRRDMZWNVQMH-MEDUHNTESA-N 322.499 3.663 0 40 DHAB Cc1ccccc1C(=O)Nc1cc(N2CCCC2)c(C)cc1N 216865825 IQVSCLVLBNIRDW-UHFFFAOYSA-N 309.413 3.738 0 40 DHAB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1Cl 223668425 JKTNLDRXDKJNBM-LLVKDONJSA-N 301.773 3.940 0 40 DHAB CCCN(c1cccc(Br)c1)[C@@H](CC)C(=O)O 224989677 NJXGHJUYKDCSSD-LBPRGKRZSA-N 300.196 3.529 0 40 DHAB CO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C)c1)C1CC1 225645397 VFQOXJIPXKLBMB-GOSISDBHSA-N 305.418 3.783 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3Cl)O[C@@H]2C1 242463879 DPFJHPUYYLYPEL-CJNGLKHVSA-N 309.793 3.575 0 40 DHAB Cc1nc(CN(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cs1 273521804 QCSRRYQAHSRCJZ-DLBZAZTESA-N 320.433 3.943 0 40 DHAB Cc1ccccc1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408706991 HFSAAKGKAKSZFF-UHFFFAOYSA-N 316.445 3.655 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(OC)cc1OC 1775995743 GYEUEZVFOJUGNQ-OKILXGFUSA-N 316.401 3.809 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 140333 KONSOSSLUBJREG-CABCVRRESA-N 303.402 3.948 0 40 DHAB O=C1Nc2c(Cl)cccc2C(=O)[C@]1(Cl)c1ccccc1 162377 BWYQHILTFICLIM-OAHLLOKOSA-N 306.148 3.609 0 40 DHAB Cc1cccc(CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 571542 QMIIHEIIHNYIIP-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB COc1cccc(OCCSc2nc3ccccc3[nH]2)c1 2462350 MUAKPVGXTKHURN-UHFFFAOYSA-N 300.383 3.743 0 40 DHAB CCc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1 2713332 KHCWXCUXSZOLDI-UHFFFAOYSA-N 324.359 3.530 0 40 DHAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 3239338 QHFGMZKKFZECOS-UHFFFAOYSA-N 314.291 3.953 0 40 DHAB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)s1 3389048 CGOZBUBGYUFPMM-ZETCQYMHSA-N 313.835 3.619 0 40 DHAB COc1ccc(C(=O)c2ccc(Br)cc2)cc1OC 4241629 JJNXGNYHLQVEAC-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3ccccc3F)n2)cc1C 5401476 NZDZENPFSJLYOI-UHFFFAOYSA-N 308.356 3.715 0 40 DHAB O=c1c2cc(Cl)ccc2nc(-c2cccc(Cl)c2)n1O 5428288 QVMJIDQCCLHTHA-UHFFFAOYSA-N 307.136 3.608 0 40 DHAB Cc1ccc(-n2nnnc2-c2c[nH]c3c(C)cc(C)cc23)cc1 5795050 VVSKXCLBHBGBLJ-UHFFFAOYSA-N 303.369 3.736 0 40 DHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccccc1F 8320588 MDLZHCPIIXAKFF-CQSZACIVSA-N 304.390 3.663 0 40 DHAB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1C 8334112 YRQGPZFNYWBHMQ-UZGJRFSCSA-N 319.474 3.731 0 40 DHAB O=C(Cc1cccc2ccccc12)Nc1onc2c1CCCC2 8976609 XKCLXTHOQMOSTQ-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB CC(C)[C@H](CC(=O)N(C)[C@@H]1CCOC(C)(C)C1)c1ccco1 9547319 WVZVDSQHFZNLSC-CABCVRRESA-N 307.434 3.825 0 40 DHAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C1 9997207 VPOMNMXMMBPQAE-PHIMTYICSA-N 315.244 3.910 0 40 DHAB CCc1ccc([C@@H](NC(=O)c2cnccn2)c2cccs2)cc1 10447659 YNHIGXFGXIEMST-QGZVFWFLSA-N 323.421 3.620 0 40 DHAB O=C(C[C@@H]1C=CCC1)NCc1ccc(NC(=O)c2ccco2)cc1 11535073 BAKRQIBWBFNGRV-CQSZACIVSA-N 324.380 3.504 0 40 DHAB COc1cccc(NC(=O)NCCSCc2ccccc2)c1 11556444 GPPVZUKLQJYDRR-UHFFFAOYSA-N 316.426 3.750 0 40 DHAB COc1cc(Br)cc(C=O)c1OCc1ccccc1 11826916 HFHMNLDJWFVXRZ-UHFFFAOYSA-N 321.170 3.849 0 40 DHAB COc1ccc(CCC(=O)O)cc1OCCCc1ccccc1 11994039 UMKOCBBZVRFCDQ-UHFFFAOYSA-N 314.381 3.724 0 40 DHAB Cc1cc2occ(CC(=O)NCc3cc(C4CC4)[nH]n3)c2cc1C 12147231 WEADSQYVTQBYAB-UHFFFAOYSA-N 323.396 3.509 0 40 DHAB O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12548009 LGAJTRVUQZXWDG-MRXNPFEDSA-N 309.344 3.679 0 40 DHAB C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 12776886 CICJVJJVVVOJLE-BDJLRTHQSA-N 316.351 3.569 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1nnc(C2CCCCC2)s1 12855079 GIKCDCJWBQIULU-UHFFFAOYSA-N 319.405 3.906 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)N[C@H](c1cccs1)C1CC1 12875431 OMXKPERWONRUET-HNNXBMFYSA-N 316.382 3.750 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)c1cc(=O)[nH]c2ccccc12 12921877 JJJXMCBPODHHMQ-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB O=C(COc1ccc(Cl)cc1)N[C@@H]1CCc2ccccc21 12996411 FFRAANBJAAGDJG-MRXNPFEDSA-N 301.773 3.523 0 40 DHAB Cc1cnc(NC(=O)CCn2ccc3ccc(F)cc32)s1 13693010 SCLNCYZHKYTJIV-UHFFFAOYSA-N 303.362 3.574 0 40 DHAB O=C(/C=C/c1nc2ccccc2o1)OC[C@@H]1CC1(Cl)Cl 14897526 QNOLCEOURWTICQ-CYNONHLPSA-N 312.152 3.578 0 40 DHAB Cc1ccc(/C=C/C(=O)n2cccc/c2=N\C2CCCCC2)o1 14903737 UZUNJZCUUXRAKG-GZHXFNRCSA-N 310.397 3.977 0 40 DHAB CCCCOc1ccc(-c2nc(O)c(CCCC)c(=O)o2)cc1 16639515 SGONVKIYWMSNQV-UHFFFAOYSA-N 317.385 3.929 0 40 DHAB C[C@H](NC(=O)N(C)Cc1ccc2ccccc2c1)[C@H]1CCCO1 23143743 QLRPKNHFXBLNQH-KBXCAEBGSA-N 312.413 3.549 0 40 DHAB CC[C@H](NC(=O)CCc1ccsc1)c1ccccc1OC 31617411 FSDSIIVETNOELX-HNNXBMFYSA-N 303.427 3.957 0 40 DHAB CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(F)cc1Cl 32755110 QYDCCIXMCSZBNW-JTQLQIEISA-N 307.818 3.582 0 40 DHAB COc1cccc2c1N(C(=O)[C@]1(C)CC1(Cl)Cl)CCC2 32827419 RAFRQNBTJQVADX-AWEZNQCLSA-N 314.212 3.558 0 40 DHAB O=C(/C=C/c1cccnc1)Nc1ccc2oc(C3CC3)nc2c1 33215034 XKPCNVQDPXCWPM-FPYGCLRLSA-N 305.337 3.752 0 40 DHAB COCCN1CCCc2ccc(NC(=O)c3ccccc3C)cc21 35588038 KSUDYOKCCHJBCN-UHFFFAOYSA-N 324.424 3.646 0 40 DHAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1Cl 41096620 CISHOLYZFTYDAB-GFCCVEGCSA-N 321.829 3.788 0 40 DHAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)c1 42646533 NMAQWCPYJJYIMD-UHFFFAOYSA-N 324.424 3.547 0 40 DHAB COc1ncccc1NC(=O)N[C@@H](c1ccccc1)c1ccco1 45153114 DPPKTTNUDJCJIB-INIZCTEOSA-N 323.352 3.594 0 40 DHAB Cc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)[nH]n1 47555163 YNJXJLIUDZPBHQ-UHFFFAOYSA-N 318.789 3.747 0 40 DHAB O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)[C@H]1CCCO1 57084117 FQLWAXCIOPKOJT-CABCVRRESA-N 321.829 3.786 0 40 DHAB CCc1ccc(CN(Cc2noc(CC(C)C)n2)C2CC2)cc1 58919337 HZYJYBNWFMYJHF-UHFFFAOYSA-N 313.445 3.995 0 40 DHAB O=C(c1csnn1)N1CC=C(c2cccc3ccccc23)CC1 63690601 NJAPMZSHJUQXIX-UHFFFAOYSA-N 321.405 3.621 0 40 DHAB CC1CCC(N(Cn2nc(C(C)(C)C)ccc2=O)C2CC2)CC1 66792601 RZDLAOCRTHAKAZ-UHFFFAOYSA-N 317.477 3.541 0 40 DHAB Cc1ccsc1-c1nnc(SCc2noc(C(C)C)n2)o1 69560914 VNTZNPABXVZTKF-UHFFFAOYSA-N 322.415 3.905 0 40 DHAB Cc1cnn([C@H](C)[C@@H](C)NCCCc2nc3ccccc3o2)c1 69655249 VAOQJDSUQCONNZ-HUUCEWRRSA-N 312.417 3.505 0 40 DHAB O=C(O)c1cn[nH]c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 71980899 SNOVMUDIMNIXCG-UHFFFAOYSA-N 324.180 3.813 0 40 DHAB COc1cc(C)c([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72218044 FGFAOMLECUHDOA-AWEZNQCLSA-N 306.406 3.861 0 40 DHAB CCOc1cc(C(=O)NCc2ccccc2F)cc2occc12 72240115 VPXYWFPGBASGSP-UHFFFAOYSA-N 313.328 3.901 0 40 DHAB CC(C)(C)[C@@H](CCO)NC(=O)Nc1cc(Cl)ccc1Cl 95393407 BRSZJOPBCDUMRF-GFCCVEGCSA-N 319.232 3.912 0 40 DHAB CC(C)c1ccsc1C(=O)N1CCC[C@@H](N2CCCC2)CC1 95399301 LEHMHDNJPDBTMG-OAHLLOKOSA-N 320.502 3.962 0 40 DHAB O=C(CS[C@H]1CCc2ccc(F)cc21)NCc1cccs1 95963573 LBRUTUYCYFXZCC-HNNXBMFYSA-N 321.442 3.924 0 40 DHAB CC[C@H]1c2ccccc2CCN1C(=O)c1cccc(C(=O)O)c1 95989941 VKDRQFGYNOAFFF-KRWDZBQOSA-N 309.365 3.534 0 40 DHAB c1coc(-c2nc3nccc(-c4cc5ccccc5o4)n3n2)c1 96345055 NCICVMMBLLOUDU-UHFFFAOYSA-N 302.293 3.798 0 40 DHAB COc1ccc(CN(C(=O)C[C@H]2C=CCC2)c2ccncc2)cc1 96418463 FWIGQTPYPLIVEB-INIZCTEOSA-N 322.408 3.980 0 40 DHAB Cc1cccc(NC2CCN(Cc3nnc(C(C)C)o3)CC2)c1 96421199 FMJSGROXHKZCLD-UHFFFAOYSA-N 314.433 3.578 0 40 DHAB C[C@H](CCO)CNC(=O)Nc1ccc(SC(C)(C)C)cc1 96434512 BFAYKNBLMPCWAK-GFCCVEGCSA-N 310.463 3.717 0 40 DHAB C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)n1ccnc1-c1ccccc1 107592193 IMQQOVKHAUOSBO-HLLBOEOZSA-N 311.429 3.806 0 40 DHAB Cc1cccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 218923624 PAVBKMMXEBIQGN-UHFFFAOYSA-N 317.816 3.960 0 40 DHAB CCn1c(=O)sc2cc(NC(=O)C3CCCCC3)ccc21 225103846 XGMAJRHXHHEEGT-UHFFFAOYSA-N 304.415 3.602 0 40 DHAB COc1ccc(NC(=S)NCCCc2cccc(C)c2)cc1 225391163 WNCBAIYOVCFECB-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB CCC1(CC)C[C@H](NC(=O)c2cccnc2)c2ccccc2O1 225427687 PBQXBMZWFZZLOH-INIZCTEOSA-N 310.397 3.894 0 40 DHAB CCCN(CCC)c1ccc(N)cc1C(=O)N1CCCC[C@H]1C 226323605 NCUZUAIVDHAARY-OAHLLOKOSA-N 317.477 3.910 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)C1 253476764 BGMMDRMBSMZBJT-LERJKICOSA-N 323.521 3.557 0 40 DHAB Cc1cccc(C(=O)Oc2c(C)cc(/C=C/C(=O)O)cc2C)c1 256050270 DKBNXMDWKDXKGZ-BQYQJAHWSA-N 310.349 3.929 0 40 DHAB COC(=O)c1c(F)c(Br)cc(C(F)(F)F)c1F 258329631 AYKSLYWQIABGJA-UHFFFAOYSA-N 319.023 3.533 0 40 DHAB O=C(Nc1cccc(O)c1)c1ccc(COc2ccccc2)o1 409204950 MLNNRBADFNYVPA-UHFFFAOYSA-N 309.321 3.817 0 40 DHAB C[S@@](=O)c1c(Cl)cccc1NC(=O)CSC(C)(C)C 583650507 MBCTVRAQMKITKP-LJQANCHMSA-N 319.879 3.548 0 40 DHAB CC(C)(C)OC(=O)N1CCC(n2ncc3ccccc32)CC1 2362803896 QMJZWJDGVRHHER-UHFFFAOYSA-N 301.390 3.608 0 40 DHAB COc1ccc(C(=O)Oc2ccc(C)cc2Br)cc1 149108 OTFCZSFZHIBMJZ-UHFFFAOYSA-N 321.170 3.985 0 40 DHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 233241 RPUFBGAIJXSOAN-UWVGGRQHSA-N 316.184 3.823 0 40 DHAB O[C@H](COc1cccc2ccccc12)Cn1cnc2ccccc21 243047 FWMVJSKYEPWDQG-INIZCTEOSA-N 318.376 3.629 0 40 DHAB Cc1cc(C)c(S(=O)(=O)c2cccc(C)c2C)c(Cl)n1 1403187 KHGPDMPFWVOHGW-UHFFFAOYSA-N 309.818 3.801 0 40 DHAB COc1cc(NC(=O)c2ccc(C)cc2)ccc1OC(F)F 2795586 VVAVFIWDFHNAPA-UHFFFAOYSA-N 307.296 3.857 0 40 DHAB Cn1cccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 3327899 GHLRQSIYKGTVAN-UHFFFAOYSA-N 319.360 3.732 0 40 DHAB COc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F 3447333 JVEJWJGHDYLIJC-NSHDSACASA-N 321.323 3.788 0 40 DHAB COc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F 3447335 JVEJWJGHDYLIJC-LLVKDONJSA-N 321.323 3.788 0 40 DHAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2C)C(C)C)cc1 3481444 KDDGDRHSUWMZET-SFHVURJKSA-N 324.424 3.697 0 40 DHAB CCn1cc(NC(=O)NCCCOC(C)C)c2ccccc21 5265992 SDFGMPXBRRPTEX-UHFFFAOYSA-N 303.406 3.598 0 40 DHAB Cc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2OC3)cc1 6233778 XEHUIPWFZREHDF-UHFFFAOYSA-N 317.348 3.597 0 40 DHAB CCCCc1ccc(NC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)cc1 6890838 OLWQMVUFFXZNHI-BBRMVZONSA-N 320.433 3.738 0 40 DHAB COc1ccc(OC)c(NC(=S)N[C@@H]2CCCC[C@@H]2C)c1 7529410 DKVLDCUPBQERSW-WCQYABFASA-N 308.447 3.569 0 40 DHAB CCn1cccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 8091008 QSPLKPKFLUGTFK-CRPPYINASA-N 305.447 3.597 0 40 DHAB CCCCc1nnc(SCCCOc2ccc(C=O)cc2)o1 8731634 UOOAJAYVHICJKU-UHFFFAOYSA-N 320.414 3.786 0 40 DHAB Cc1ccc(Cl)c(OCCOCCN2CCC[C@@H](C)C2)c1 8750419 BAZFJNLCUTZDGD-OAHLLOKOSA-N 311.853 3.776 0 40 DHAB CCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1 9303485 COWYGCDMAUEXKM-UHFFFAOYSA-N 308.337 3.993 0 40 DHAB COc1cc(NC(=O)c2sccc2C)c(OC)cc1Cl 9479266 LCOBBXPCUBUILU-UHFFFAOYSA-N 311.790 3.979 0 40 DHAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)cc1F 10339719 ARRSQDVIASAZDB-GOSISDBHSA-N 312.388 3.910 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1C 10677298 QPXHGQPDUREISX-SFHVURJKSA-N 315.438 3.733 0 40 DHAB Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(F)cc3)cc12 12974602 WHSPLJYAKRKRKD-SECBINFHSA-N 317.389 3.573 0 40 DHAB CCn1ncc(CN(Cc2ccccc2)Cc2ccncc2)c1C 13989244 VCICAOJXJQQVKN-UHFFFAOYSA-N 320.440 3.809 0 40 DHAB CCn1c(C)[n+](CC)c2cc(C(=O)N(C)c3ccccc3)ccc21 15961544 VXROWYOVUHDQHP-UHFFFAOYSA-N 322.432 3.554 0 40 DHAB Cc1cnc(N2C(=O)CS[C@H]2c2ccc(C)c(C)c2)s1 17198096 MYNNDHPFRFBFEO-AWEZNQCLSA-N 304.440 3.847 0 40 DHAB CC[C@]1(C)Oc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2O1 19625103 FJLGXLATDAHTTG-GOSISDBHSA-N 323.352 3.713 0 40 DHAB Cc1cccc(NC(=O)COc2ccc(C=O)cc2Cl)c1C 20393435 HQVKMZZSSBQSKJ-UHFFFAOYSA-N 317.772 3.787 0 40 DHAB Cc1[nH]c(SC[C@@H]2CCCCO2)nc1Cc1ccccc1 21329492 NKEGVWIMJPEXSJ-HNNXBMFYSA-N 302.443 3.970 0 40 DHAB C[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2NC1=O 21793295 JPRCINHPGWCUQB-NSHDSACASA-N 314.772 3.575 0 40 DHAB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 22529223 VFKVDUSNJPETLC-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cccc(F)c1 22981383 ZURSHCAKPCUAFQ-UHFFFAOYSA-N 323.154 3.891 0 40 DHAB Cn1c(SCc2ccccc2Cl)nc2ccsc2c1=O 26098844 FWXSGFFCXNRCSJ-UHFFFAOYSA-N 322.842 3.941 0 40 DHAB CN(C(=O)/C=C/c1c(Cl)nc2sccn12)C1CCCCC1 26956414 BKZNQYGRDWZUIX-BQYQJAHWSA-N 323.849 3.854 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nnc(-c3ccc(C)cc3)[nH]2)C1(C)C 28857045 ONVRNYJERJEEGE-GJZGRUSLSA-N 324.428 3.957 0 40 DHAB O=C(NCc1ccccc1Cl)c1cn[nH]c1-c1ccccc1 29001366 GBGQVQLROZWUQY-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB Cc1nc2ccc(C(=O)N(C)C3CCC(C)CC3)cc2nc1C 32841643 VQWBHNSPEFUUJT-UHFFFAOYSA-N 311.429 3.897 0 40 DHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CNC1CCCC1)C2 35075028 ZBNAUCQADSOPHS-XZKMEQPCSA-N 309.494 3.501 0 40 DHAB Cc1ccc(NC(=O)C[C@H](C(=O)O)[C@@H](C)c2ccccc2)cc1 35142164 XYBKFVXSGNRBEL-YOEHRIQHSA-N 311.381 3.828 0 40 DHAB CN(Cc1nc(Cc2ccccc2)no1)[C@H]1CCc2ccccc21 40153525 XVZUDRUGBJEOBK-SFHVURJKSA-N 319.408 3.780 0 40 DHAB COc1ccc(OCCSc2nnc(-c3ccco3)o2)cc1 40456849 YVUGHXWENGBTOL-UHFFFAOYSA-N 318.354 3.509 0 40 DHAB Cc1ncc(CN(C)[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 44972271 DNBQFVNEKUNQQX-NSHDSACASA-N 313.426 3.636 0 40 DHAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccco1)C1CCCC1 54830488 LYGAFTOIYAUJPD-UHFFFAOYSA-N 323.389 3.552 0 40 DHAB O=C(OC/C=C/c1ccccc1)c1cncn1-c1ccccc1 60583361 GTSHELRNJGFIGZ-JXMROGBWSA-N 304.349 3.743 0 40 DHAB CC(C)COC1CCN(C(=O)c2nccc3ccccc23)CC1 69416932 NUIAMGYMRUEHAS-UHFFFAOYSA-N 312.413 3.512 0 40 DHAB CSCCc1ccc(NC(=O)NCc2c(C)noc2C)cc1 69683265 NZFKHLKFNGYLGK-UHFFFAOYSA-N 319.430 3.519 0 40 DHAB Cc1cccc(C2(C(=O)N(C)Cc3cc(C)on3)CCCC2)c1 69808404 RGMWFGLVRVTPKY-UHFFFAOYSA-N 312.413 3.762 0 40 DHAB O=C([C@H]1Cc2ccccc2O1)N1CCCCC[C@@H]1c1ccncc1 71798122 QTEBCRKIHMKIFT-IEBWSBKVSA-N 322.408 3.529 0 40 DHAB Cc1csc([C@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n1 72298766 BLKNUOLTFNCIRH-LBPRGKRZSA-N 319.430 3.583 0 40 DHAB CC(=O)N1CCC[C@@H]1CCc1ccc(-c2cccc(C)c2C)nn1 72365880 ZACTZGHPASMWSA-GOSISDBHSA-N 323.440 3.704 0 40 DHAB CC(C)N(C(=O)CN1CC[C@@H]1c1ccc(Cl)cc1)C(C)C 76093299 PUHLBFBJEIDREQ-MRXNPFEDSA-N 308.853 3.732 0 40 DHAB C[C@H](c1cccnc1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 84661101 KKOOIDKFASFXOP-YPMHNXCESA-N 324.350 3.764 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](OC(F)(F)C(F)(F)F)C1 91252503 OQJXYYJGNCOMGF-QMMMGPOBSA-N 319.270 3.558 0 40 DHAB CCn1cc2ccc(NC(=O)c3scnc3C3CC3)cc2n1 95444831 NRZOUIHJMQBNRE-UHFFFAOYSA-N 312.398 3.642 0 40 DHAB COCCN(Cc1csc(-c2ccoc2)n1)Cc1ccco1 95953645 GFBZPYAMJCLCEI-UHFFFAOYSA-N 318.398 3.645 0 40 DHAB COC1(CNC(=O)c2ccccc2C)C2CC3CC(C2)CC1C3 96123833 OCNRNTYZNDGYJW-UHFFFAOYSA-N 313.441 3.566 0 40 DHAB CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)c1cc(F)ccc1F 96419055 GATCRISVXOCJBC-KEYYUXOJSA-N 316.351 3.731 0 40 DHAB COc1ccc2c(c1)[C@H](NCCc1ncc(C)s1)CCCO2 96478438 QSCGVVQWTAMJRX-OAHLLOKOSA-N 318.442 3.506 0 40 DHAB C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cccnc1 97014663 NWTBYHYRFRJPMM-ZDUSSCGKSA-N 319.355 3.620 0 40 DHAB CCN(Cc1ccc(O[C@@H](C)C(=O)OC)cc1)c1ccccc1 97058965 IPGHSKCPHTZUQT-HNNXBMFYSA-N 313.397 3.653 0 40 DHAB Oc1cc(Cc2ccsc2)nc2c(-c3ccccc3)cnn12 100776113 PZQGGTKHYIVZMF-UHFFFAOYSA-N 307.378 3.754 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 100892285 ZHGBDVPQDXABAK-RTBURBONSA-N 313.397 3.613 0 40 DHAB Cc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)c(C)o1 206942305 TUYSLIWSKUHEGW-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB Cc1cc(NC(=S)NCc2ccc(F)cc2)ncc1Cl 223946710 XBALUHGGPCQUAJ-UHFFFAOYSA-N 309.797 3.669 0 40 DHAB NC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225494979 IVHROTYCYAAFSX-UHFFFAOYSA-N 319.364 3.904 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cn1 225882934 PVADYXIZHFZNEW-QGZVFWFLSA-N 308.422 3.650 0 40 DHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)o3)N21 260778600 RSWOZDZCZVVNTK-WQVCFCJDSA-N 313.426 3.962 0 40 DHAB COc1cc(Cl)c(/C=C2\C(=O)Nc3ccccc32)cc1OC 409119205 RNGCHFPGUXQRNC-GHXNOFRVSA-N 315.756 3.850 0 40 DHAB COCCCN1C(=O)S/C(=C/c2c(C)cc(C)cc2C)C1=O 409245242 PPMXRZLFTSTOMF-XNTDXEJSSA-N 319.426 3.685 0 40 DHAB Cc1cc(C)nc(N2CCN(c3cccc4sccc34)CC2)n1 2298067718 ZGRJJHDEZZENPY-UHFFFAOYSA-N 324.453 3.635 0 40 DHAB Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CCN(C)C1 36611 OHKBLWVRXBNICP-UHFFFAOYSA-N 305.425 3.575 0 40 DHAB O=c1ccn(Cc2ccc(F)cc2)c2ccnc(C(F)(F)F)c12 356188 FMQRROCSIVEZJL-UHFFFAOYSA-N 322.261 3.603 0 40 DHAB COc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 1257581 RZPOKYDFZIINOR-RVDMUPIBSA-N 311.362 3.936 0 40 DHAB Cc1nc(NCCCCCC(=O)O)c2oc3ccccc3c2n1 2435853 PYIUVIDLHIUCLH-UHFFFAOYSA-N 313.357 3.741 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 3094734 MHUFBSHKGRBQKW-CVEARBPZSA-N 319.401 3.695 0 40 DHAB Cc1cc(C)c(NC(=O)COc2ncnc3ccccc23)c(C)c1 3277500 ALFZOWKFYJSUFY-UHFFFAOYSA-N 321.380 3.573 0 40 DHAB CCc1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1 3281494 COFKFDWDKCJBBQ-UHFFFAOYSA-N 316.213 3.589 0 40 DHAB N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 4399099 KELGYJLEVVPYOS-OBGWFSINSA-N 301.802 3.634 0 40 DHAB CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)nc2C)cc1 4628776 YYHINIWQJKNMNI-UHFFFAOYSA-N 322.455 3.530 0 40 DHAB O=C([C@@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCCC1 4746208 NDBPMLBDIHPRNW-LJQANCHMSA-N 322.452 3.674 0 40 DHAB Cc1noc(C)c1COC(=O)COc1ccc2ccccc2c1 4928676 IQUFHSNEZWETKU-UHFFFAOYSA-N 311.337 3.567 0 40 DHAB CCCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O 5552458 GQNGFGHMWLNDGF-KAMYIIQDSA-N 305.399 3.922 0 40 DHAB C[C@@H](NC(=O)CSc1ccccn1)c1ccccc1Cl 5622506 CQHKQPQJHIKCOS-LLVKDONJSA-N 306.818 3.705 0 40 DHAB CCc1cccc(C)c1NC(=O)CCNC(=O)c1cccc(C)c1 6600178 ABTZENIAUXVBSN-UHFFFAOYSA-N 324.424 3.624 0 40 DHAB CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCC 6870230 LIQRCJGNAZYYAQ-UHFFFAOYSA-N 320.820 3.822 0 40 DHAB O=C(Cc1cccs1)Nc1ncccc1OCc1ccccc1 6898807 OTPZSVREYUBEOK-UHFFFAOYSA-N 324.405 3.903 0 40 DHAB Cc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1C 7264490 JAXOXYZNKUYKOD-UHFFFAOYSA-N 301.817 3.858 0 40 DHAB CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1nccs1 9146345 VOONXUYDVLQKJG-NSHDSACASA-N 318.427 3.529 0 40 DHAB CNc1nnc(SCc2coc(-c3ccccc3)n2)s1 9154567 LQDZDKRQUVMLPL-UHFFFAOYSA-N 304.400 3.527 0 40 DHAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)CCC 9281866 BHGOZMSRYASYQH-UHFFFAOYSA-N 314.429 3.765 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1 9365595 GJILGZSVKMWGQI-ZDUSSCGKSA-N 324.346 3.901 0 40 DHAB COc1cc2ncnc(N[C@@H](C)c3cccs3)c2cc1OC 9478016 RNDLNYZHSNTSOK-JTQLQIEISA-N 315.398 3.882 0 40 DHAB OC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1 13010970 NNMUCVCTWDHHOO-UHFFFAOYSA-N 310.319 3.969 0 40 DHAB Cc1nnc(NC(=O)c2cc(F)c(Cl)cc2Cl)s1 14634798 YEOMXTABSXZAIM-UHFFFAOYSA-N 306.149 3.545 0 40 DHAB Cc1c2c(cc3c1[C@@H](n1ccc4ccccc41)N(C)CC3)OCO2 15107702 BOVMWYXULVNIRA-HXUWFJFHSA-N 320.392 3.713 0 40 DHAB O=C(CCCc1ccccn1)N1CCC[C@@H](Cc2ccccc2)C1 19370547 QPEPQVFESHVEKP-IBGZPJMESA-N 322.452 3.886 0 40 DHAB CCOc1cc(C=O)ccc1OCCN1CCCC[C@@H]1CC 20131589 GXQFIRFONQVAOR-INIZCTEOSA-N 305.418 3.541 0 40 DHAB C[C@H]1CCCN(C(=O)COc2cccc(Cl)c2Cl)C1 20569947 CNAUPRRMNFNVFJ-JTQLQIEISA-N 302.201 3.631 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N)cc1Cl 21517563 LNDNFPYFZRHULC-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CC[C@@H](C(=O)NCCOc1ccc(F)cc1)c1ccccc1 23142385 LFPLUCNFQMKXJM-QGZVFWFLSA-N 301.361 3.515 0 40 DHAB COc1ccc(Cl)c2sc(NCc3ccccn3)nc12 26423885 SQHGECOHPVJPKS-UHFFFAOYSA-N 305.790 3.965 0 40 DHAB C[C@H](NC(=O)C1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 27304949 NFABSMMXTDDLCA-ZDUSSCGKSA-N 314.429 3.793 0 40 DHAB Cc1nn(C)cc1CN(C)C(=O)Nc1ccc(C(C)C)cc1 28218784 KXJKLOQKGJCNJP-UHFFFAOYSA-N 300.406 3.516 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(-n2ccnc2C)cc1 28305294 ICZJLFMZSUMVMW-UHFFFAOYSA-N 321.380 3.832 0 40 DHAB CC[C@@H](C)C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28305939 VLKPSEAQWQCRTR-SNVBAGLBSA-N 309.772 3.709 0 40 DHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]1c1cccnc1 29299088 RNAVGXIHKQIRKV-IBGZPJMESA-N 317.392 3.850 0 40 DHAB CCc1noc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 33012816 OFENDUGFTGIUHL-UHFFFAOYSA-N 311.316 3.690 0 40 DHAB O=C(Nc1ccc(OC(F)F)cc1)c1cc(Cl)ccc1O 36892721 FPYNEKNCLYCOIE-UHFFFAOYSA-N 313.687 3.899 0 40 DHAB O=C(O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F 39091877 ALMFCZMUUGHOGY-UHFFFAOYSA-N 324.180 3.608 0 40 DHAB Cc1ncc(CNCc2cc(Cl)ccc2OC(F)F)s1 40997698 ZZNFDMFBRDOKBM-UHFFFAOYSA-N 318.776 3.996 0 40 DHAB Cn1ccnc1[C@@H](NCc1ccc(F)cc1F)c1ccccc1 42203562 KVBLZFWGUABOLK-KRWDZBQOSA-N 313.351 3.578 0 40 DHAB COCc1cccc(NC(=O)CSc2ccc(C)cc2)c1 43750068 UVONDJCNBFIVRD-UHFFFAOYSA-N 301.411 3.872 0 40 DHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccncc1 49549930 FFMNIJWOLIWSFG-UHFFFAOYSA-N 312.398 3.534 0 40 DHAB O=C(Nc1ccccc1-n1ccnc1)[C@H]1C[C@@H]1c1ccc(F)cc1 52926409 QNJHHPGKNQKJFO-CVEARBPZSA-N 321.355 3.754 0 40 DHAB CN(C)C(=O)c1cccc(CSc2ncnc3ccccc23)c1 58202901 DRMTUDHLYKYIJX-UHFFFAOYSA-N 323.421 3.624 0 40 DHAB COc1ccc(C(=O)Nc2cnc3ccccc3c2)c(OC)c1 58441084 KFSJVCDOWUUZOJ-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 59227415 MVNGBVPRDMRSNP-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1c(Cl)cccc1Cl 69550003 QMOFMPXYBDCNQQ-SNVBAGLBSA-N 320.172 3.644 0 40 DHAB biogenic C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)Nc1cn[nH]c1 69894456 MOQGSUOYIRJRFN-CQSZACIVSA-N 321.384 3.600 0 40 DHAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1CC(C)(C)C 71845476 ZPBGCVMHYDNRFS-WFASDCNBSA-N 305.466 3.568 0 40 DHAB O[C@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1 72225811 CNMOQBGZKUWOST-HXUWFJFHSA-N 302.377 3.858 0 40 DHAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OC 76275211 RSSXMUWYIKRGJC-UHFFFAOYSA-N 321.760 3.668 0 40 DHAB COCc1ccc(SCc2nnc(-c3ccco3)o2)cc1 89420344 OUPXFZWBQLSYHS-UHFFFAOYSA-N 302.355 3.768 0 40 DHAB CSCc1ccc(Cl)c(NC(=O)N[C@]2(C)CCOC2)c1 95975249 ASLZJNQXRTTYJW-CQSZACIVSA-N 314.838 3.504 0 40 DHAB CCSCc1cccc(NC(=O)N[C@@H](C)c2cnn(C)c2)c1 96435247 KPMSKTUENLFDCN-LBPRGKRZSA-N 318.446 3.556 0 40 DHAB CCN(Cc1ccccc1C)C(=O)Nc1cnn(CC(F)F)c1 96444543 SVKIAXAYIAYTEJ-UHFFFAOYSA-N 322.359 3.511 0 40 DHAB COC(=O)c1ccc(CSc2nnc(C(C)(C)C)o2)s1 96465944 MJOJZJQSEGSTFX-UHFFFAOYSA-N 312.416 3.508 0 40 DHAB CCc1cnc([C@H](C)NCc2nnc(-c3cccs3)o2)s1 96502756 OXNHFALFUZXRIR-VIFPVBQESA-N 320.443 3.668 0 40 DHAB CC[C@H](NCc1nnc2ccccn12)c1cccc(Cl)c1 97971391 RMSSYNGLJALLNV-AWEZNQCLSA-N 300.793 3.624 0 40 DHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3c(C)cc(C)cc3C)C(=O)[C@@H]21 100053095 KJGGFEKXMLNCIU-AHCXZYCDSA-N 321.420 3.870 0 40 DHAB CCOC(=O)[C@@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 100940454 WHYIQHUTPUWFFS-RTBURBONSA-N 310.397 3.522 0 40 DHAB C[C@@]12C[C@H](NC(=S)N1c1ccccc1)c1cc(F)ccc1O2 101166969 MDMCCJKKIVUZSU-WMLDXEAASA-N 314.385 3.760 0 40 DHAB CN1CCC(N(Cc2ccco2)C(=O)CC2=CCCCC2)CC1 106607477 UNTFFBZLNCTFHT-UHFFFAOYSA-N 316.445 3.593 0 40 DHAB C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 118929784 GKHMLMUXODLNKN-AYWFNIBGSA-N 306.490 3.997 0 40 DHAB Cc1cccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)c1C 216724831 SSHUCODRURHAKM-UHFFFAOYSA-N 323.348 3.676 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccccc2OC(C)C)cc1 219742007 ZAWKPPWCZIVTEA-AWEZNQCLSA-N 313.397 3.973 0 40 DHAB Cc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1Cl 224913740 RKHXQGPBBGQTSW-UHFFFAOYSA-N 313.781 3.613 0 40 DHAB O=C(O)c1cc(Cl)c(Cl)c(NC(=O)c2ccccc2)c1 226354924 TUPGHKSOCGPRLX-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CCCC[C@H]1C[C@@H](NC(=O)c2ccccc2)[C@@H]2CCC[C@H]2O1 257230730 GDQOVMIXKUEJIZ-WNRNVDISSA-N 301.430 3.933 0 40 DHAB CCCCCN1C(=O)S/C(=C\c2cc(C)n(C)c2C)C1=O 409203318 XCMBWPIZZHGNMZ-UVTDQMKNSA-N 306.431 3.868 0 40 DHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc2cc[nH]c2n1 583771682 ZBEXNTKWNBROKR-QGZVFWFLSA-N 322.412 3.659 0 40 DHAB Cc1ccc(-c2nnc3sc(Cc4ccccc4F)nn23)cc1 385044 GKRQNSGZFDYQLK-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB Cc1cc(C)nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 795299 QVKQXIOUAWUHPO-UHFFFAOYSA-N 319.792 3.543 0 40 DHAB O=C1C[C@@H](c2ccc(Cl)cc2)c2cc3c(cc2N1)OCCO3 816170 IQZXFHZMEGSEGE-LBPRGKRZSA-N 315.756 3.585 0 40 DHAB O=C1NC2(CCCCC2)C(=O)N1Cc1cccc2ccccc12 3397462 VHXQLYXPHXUEEC-UHFFFAOYSA-N 308.381 3.595 0 40 DHAB c1ccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)cc1 3532145 DLZGEUYROQVMJV-LBPRGKRZSA-N 307.444 3.943 0 40 DHAB CCCCCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 4023871 PQHPEZGPBYVHKU-UHFFFAOYSA-N 308.385 3.915 0 40 DHAB c1ccc(-n2ncc3c(SCc4ccccn4)ncnc32)cc1 5056584 HBSOBNXHIUWFTN-UHFFFAOYSA-N 319.393 3.503 0 40 DHAB C[C@@H](Sc1nnc2ccccn12)C(=O)c1c[nH]c2ccccc12 6114841 ZHUMTQMBFSHABV-LLVKDONJSA-N 322.393 3.574 0 40 DHAB Cc1ccc(NC(=S)NCC2(N(C)C)CCCCC2)cc1C 6335971 XRJCNFWWIYUSLR-UHFFFAOYSA-N 319.518 3.854 0 40 DHAB COc1cccc(-c2nnc(SC(=O)c3cccs3)o2)c1 7939590 KURMLIXBSBSLFA-UHFFFAOYSA-N 318.379 3.739 0 40 DHAB CNCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 8377155 DEKFWDOZRPDKKA-UHFFFAOYSA-N 313.228 3.953 0 40 DHAB COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1Cl 8673545 BOOVUNGUHDFCCR-UHFFFAOYSA-N 322.817 3.936 0 40 DHAB aggregator CC(C)[C@@H](Sc1ccccn1)C(=O)NCc1ccccc1 8720945 MMWVCRPRPPAAHQ-MRXNPFEDSA-N 300.427 3.515 0 40 DHAB O=C(O)CCCSc1ccccc1NC(=O)C1CCCC1 8732953 VBHTZYZVXRQRGB-UHFFFAOYSA-N 307.415 3.772 0 40 DHAB O=C(COc1cccc(F)c1)Nc1ccccc1Br 9484380 OCTPFWWBCNPKGP-UHFFFAOYSA-N 324.149 3.606 0 40 DHAB Cc1ccc(NC(=O)COc2ccc3ccccc3c2C=O)cc1 10967936 BNQLKQRBCJYAEZ-UHFFFAOYSA-N 319.360 3.978 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc2ncccc2c1 12143988 FVUGIGVESJLLPW-UZLBHIALSA-N 316.408 3.595 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccnc2ccccc12 12143989 JFJSCFXWVWMKMH-MGPUTAFESA-N 316.408 3.595 0 40 DHAB Cc1c(C(=O)N(C)CCOc2ccccc2)[nH]c2ccccc12 12325378 PTYKHEGUKCXAAR-UHFFFAOYSA-N 308.381 3.627 0 40 DHAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1cccnc1 12422196 ZRGQTMSZFOGDQZ-UHFFFAOYSA-N 313.744 3.571 0 40 DHAB CCc1nnc(NC(=O)CCCc2c[nH]c3ccccc23)s1 12679735 RPZBLUQYZULOFU-UHFFFAOYSA-N 314.414 3.543 0 40 DHAB C[C@H](NC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 12748071 CQIMVGLZRRVUDV-LBPRGKRZSA-N 316.351 3.794 0 40 DHAB CCOc1ccc(-c2n[nH]cc2-c2csc(C)n2)c(O)c1 13125401 IJHSEYRNPRHZPH-UHFFFAOYSA-N 301.371 3.613 0 40 DHAB Cc1ccc(F)cc1NC(=S)Nc1ccc2c(c1)OCO2 13840401 YGUUZQGSEDWQDH-UHFFFAOYSA-N 304.346 3.672 0 40 DHAB Cc1nc(NC2CCC(O)CC2)c2c3c(sc2n1)CCCC3 14018970 FCFZDOYKJYUTFP-UHFFFAOYSA-N 317.458 3.594 0 40 DHAB COc1ccccc1CCNC(=O)c1cc(C)nc2ccccc12 14603673 MCHSYLZDWGYDJQ-UHFFFAOYSA-N 320.392 3.524 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c1C 20045301 ZEAKTUADEHLZSN-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 20489984 BQTZOGCRSCDXFP-KRWDZBQOSA-N 323.436 3.964 0 40 DHAB CC[C@@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245655 SFNCPVMKYHWBJY-SECBINFHSA-N 307.394 3.863 0 40 DHAB O=C(CCC(=O)c1ccccc1)NCc1nc2ccccc2s1 23424247 DXGJJLBCSPVJGM-UHFFFAOYSA-N 324.405 3.576 0 40 DHAB CN(C(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2s1 25049620 KQMITZCAWHRTDI-UHFFFAOYSA-N 321.405 3.983 0 40 DHAB COc1cccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 26898196 DGZVAIIKCSATRP-AWEZNQCLSA-N 306.406 3.507 0 40 DHAB CN(CC(=O)Nc1ccc(F)c(F)c1)[C@H]1CCc2ccccc21 29482579 GVZIHFTYHDZGED-KRWDZBQOSA-N 316.351 3.523 0 40 DHAB COC(=O)c1c(COCc2ccccc2Cl)cccc1OC 35973504 CJECJVHNTHJQSC-UHFFFAOYSA-N 320.772 3.852 0 40 DHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2scnc2C)cc1 40107407 WBDLZEWKGOZNES-HNNXBMFYSA-N 316.426 3.828 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)N1CCC[C@H]1c1ccncc1 45376625 JJPFSJQUGYCQAI-SFHVURJKSA-N 321.424 3.660 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1OC 45442883 YJJKKGYWGHRQGC-GFCCVEGCSA-N 324.380 3.676 0 40 DHAB Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n(C(C)(C)C)n1 45783733 NRAZGGRPGCIGEN-GJZGRUSLSA-N 315.392 3.828 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@@H](C)N2CCc3ccccc32)c(C)c1 48339771 JBZRHGAGICQNQZ-QGZVFWFLSA-N 322.452 3.713 0 40 DHAB CC[C@H](NC(=O)Cc1sc(S)nc1C)c1cccs1 48748565 PPGXSYGAIBVPNY-VIFPVBQESA-N 312.485 3.612 0 40 DHAB CCn1ccc2cc(NC(=O)c3csc(COC)n3)ccc21 51385566 AQILGPVUIDITMX-UHFFFAOYSA-N 315.398 3.516 0 40 DHAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(N)c1 57340189 WPOKUXHXRHGDFX-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Oc1cccc(C2=NN(c3ncccn3)[C@@H](c3ccsc3)C2)c1 58226853 CBSVDZYUFDRNRL-MRXNPFEDSA-N 322.393 3.599 0 40 DHAB CCCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 59288768 ZXEAPICOUCYMOV-UHFFFAOYSA-N 319.426 3.691 0 40 DHAB Cc1cc(-c2nnco2)ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 67724334 NGYVSCABNMSYGR-HOTGVXAUSA-N 319.364 3.787 0 40 DHAB C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(OCC2CC2)cc1 68000357 FWNDNPPXTAHWCG-AWEZNQCLSA-N 310.397 3.704 0 40 DHAB O=C(c1csc(-c2ccsc2)n1)N(CC(F)F)C1CC1 69702637 JRDKXPMSACKJGG-UHFFFAOYSA-N 314.382 3.741 0 40 DHAB CC[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1nc(C)cs1 69843719 DMKJJKOBUKTAGA-KWQFWETISA-N 307.246 3.603 0 40 DHAB S=C(NC1CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 69967657 ODUVQKZJGCHLOA-SFHVURJKSA-N 308.450 3.671 0 40 DHAB O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Br)o1 71214804 OKSNXIJLUJTWGZ-UHFFFAOYSA-N 321.174 3.653 0 40 DHAB COc1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 74376590 SPWUQPQTOACXAK-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB Cc1sc(-n2cccc2)c(C(=O)OC[C@H]2CCCCO2)c1C 84062023 AWTORUJJQJZXAA-CQSZACIVSA-N 319.426 3.882 0 40 DHAB O=C(NCc1csc(-c2ccco2)n1)[C@@H]1CCc2ccccc21 84581855 HLWZOTUTDMPBEN-OAHLLOKOSA-N 324.405 3.749 0 40 DHAB Cc1ncc(C[S@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)s1 85225327 RGILLMGDOWZJGD-GSDQLPOLSA-N 312.460 3.747 0 40 DHAB CCn1nc(C)c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1C 89300209 JNINWQBYZQIMDN-YLJYHZDGSA-N 323.440 3.753 0 40 DHAB C[C@@H](N(C)C(=O)CSCCCc1ccccc1)C1(C)CC1 89894142 WIIQDMRMPYNRFV-OAHLLOKOSA-N 305.487 3.999 0 40 DHAB Oc1ccc(Br)c(CNCc2ccc(F)cc2)c1 95428169 QVQFUPJPFGOIOS-UHFFFAOYSA-N 310.166 3.584 0 40 DHAB O=C(NC1CC1)[C@H](Cc1ccccc1)NC1CCCCCCC1 95463517 ONKLBKSDDIMOIY-IBGZPJMESA-N 314.473 3.579 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)CSC[C@H](C)c1ccccc1 95993975 CQWPEEQIRWZELM-NSHDSACASA-N 303.431 3.502 0 40 DHAB Cc1csc(C2(NC(=O)CC[C@@H]3CC[C@H](C)O3)CCCC2)n1 96441084 MDFNKEQASVEHRL-KBPBESRZSA-N 322.474 3.685 0 40 DHAB O=C(NCc1ccncc1)Nc1cc(-c2ccccc2)ns1 96447186 SMSIFPQKYLUHAQ-UHFFFAOYSA-N 310.382 3.527 0 40 DHAB O=C(O)c1cc(Cl)ccc1NC(=S)Nc1ccccc1 216931033 QMJYCULMALBMJF-UHFFFAOYSA-N 306.774 3.847 0 40 DHAB COc1cccc(C=O)c1OCCCN1[C@H](C)CCC[C@H]1C 217790032 HUEIPUFUKWDIOH-HUUCEWRRSA-N 305.418 3.540 0 40 DHAB COc1ccc(NC(=O)CCc2ccc(C)c(C)c2)c(OC)c1 223328624 OOGHMQSNSFNOKK-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB CC(C)[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1F 225232699 ZVOMHWDZQQSSAE-SNVBAGLBSA-N 303.830 3.873 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC(C)C 225841659 VTJNYGOCXFRDSS-GOSISDBHSA-N 303.446 3.885 0 40 DHAB c1ccc2c(c1)OCc1nnc(C34CC5CC(CC(C5)C3)C4)n1-2 226822797 WWKLGQCTLPLFBE-UHFFFAOYSA-N 307.397 3.628 0 40 DHAB CCc1cnccc1[C@H](C)NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 332799545 QQOWVWFSBWKEJJ-PQEBFOHHSA-N 315.461 3.973 0 40 DHAB O=C(Sc1nnc(COc2ccccc2)o1)c1cccs1 408624571 VBUJKGMJEICRBN-UHFFFAOYSA-N 318.379 3.643 0 40 DHAB CCOCC[C@@H]1CCOC12CCN(Cc1ccccc1C)CC2 585105555 ZQZMNODVICHIBC-LJQANCHMSA-N 317.473 3.793 0 40 DHAB FC1(F)[C@H]2CCCO[C@]21c1noc(-c2ccccc2Cl)n1 585120529 UBSHOIGGPREJQP-GWCFXTLKSA-N 312.703 3.661 0 40 DHAB CO[C@H](CNc1ncnc2ccsc12)c1ccc(C)s1 1775972757 UUTJZDFHNVPOTH-LLVKDONJSA-N 305.428 3.861 0 40 DHAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 29615 WBQSYLFMRKBNCM-LLVKDONJSA-N 322.257 3.947 0 40 DHAB O=C(CSc1nc2ccccc2o1)Nc1ccc(F)c(F)c1 182838 NZARPODOIYCOSU-UHFFFAOYSA-N 320.320 3.837 0 40 DHAB Cc1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1 208702 WWEPSIDRSHDNHJ-UHFFFAOYSA-N 300.365 3.954 0 40 DHAB CCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1 373686 VKOBFRUNSUUFCR-UHFFFAOYSA-N 313.382 3.651 0 40 DHAB CCOc1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)cc1 421146 FGUQCCAWXJBAEM-UHFFFAOYSA-N 324.380 3.548 0 40 DHAB Clc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1 523595 FFFGZRPGUXRQFX-UHFFFAOYSA-N 302.746 3.766 0 40 DHAB Cc1[nH]c2ccccc2c1[C@@H]1CC(=O)N(c2ccccc2)C1=O 564762 JMQRJDHCVIBKNS-HNNXBMFYSA-N 304.349 3.523 0 40 DHAB COc1ccc(C=O)c(OC)c1Cc1c(F)cccc1Cl 1406247 XYEKPZHDPDQJKC-UHFFFAOYSA-N 308.736 3.900 0 40 DHAB CC(=O)c1cccc(NS(=O)(=O)c2c(C)cccc2Cl)c1 3049255 HUKLVHREQBAJKH-UHFFFAOYSA-N 323.801 3.652 0 40 DHAB O=C(CSc1cccc[n+]1[O-])c1cc(Cl)ccc1Cl 3298084 HUIHHEDROAMPLV-UHFFFAOYSA-N 314.193 3.602 0 40 DHAB O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NCc1ccco1 5066724 OYQOUUVTJXGNHA-INIZCTEOSA-N 313.328 3.850 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C 5980479 UNXKZRSAEPFMLO-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB COc1cc(C)c(NC(=O)c2ccc(Cl)s2)cc1OC 6259069 AGVLHSHBBCGFNP-UHFFFAOYSA-N 311.790 3.979 0 40 DHAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CC=CCC3)c2cc1C 6291315 LCOWEHKIKTYSGQ-CQSZACIVSA-N 312.365 3.809 0 40 DHAB CCC(CC)c1nnc(NC(=O)CCc2c(C)noc2C)s1 7719174 LIOINLPXUWEPEL-UHFFFAOYSA-N 322.434 3.618 0 40 DHAB O=C(NC1CC1)[C@H](Sc1nc2ccccc2o1)c1ccccc1 8290229 OHGCAEDTKFRENU-MRXNPFEDSA-N 324.405 3.940 0 40 DHAB CC[C@@H](CO)NCc1ccccc1OCc1ccc(Cl)cc1 8326398 BDVAVLGXDKQPIE-KRWDZBQOSA-N 319.832 3.780 0 40 DHAB CCCN(CC1CC1)C[C@@H](O)COc1ccccc1C(C)C 8473391 ULMYJICTIPPAJK-QGZVFWFLSA-N 305.462 3.672 0 40 DHAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(Cl)c1 8699173 USODXQCOJVBWAY-IAGOWNOFSA-N 315.800 3.640 0 40 DHAB Cc1cc(=O)[nH]c2nc(-c3ccccc3)cc(C(F)(F)F)c12 9378967 ZUUVBXBEEPMRPD-UHFFFAOYSA-N 304.271 3.917 0 40 DHAB O=C(Nc1ccc(C(=O)Nc2ccncc2)cc1)c1ccccc1 10343560 CFFILRLYYRRYSY-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB Cc1cccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 12864881 FPDQVAWSHUOUQR-UHFFFAOYSA-N 320.396 3.845 0 40 DHAB Oc1ccc(C2=CCN(c3ncnc4ccccc34)CC2)cc1 12929888 HXJPFEGUSHKCFS-UHFFFAOYSA-N 303.365 3.629 0 40 DHAB COc1ccc(CCNC(=S)Nc2ccc(F)cc2F)cc1 13816705 RKTSWRXDVNQGQE-UHFFFAOYSA-N 322.380 3.503 0 40 DHAB C[C@@H](NC(=O)c1ccccc1CO)C12CC3CC(CC(C3)C1)C2 13943905 JNNUKQDIUSDMGX-XXWNAHEMSA-N 313.441 3.514 0 40 DHAB CSc1ncccc1C(=O)N[C@H](C)c1ccc(Cl)cc1 14234052 DDLCKTULHKVCGG-SNVBAGLBSA-N 306.818 3.948 0 40 DHAB Cc1ccc(Cl)cc1NCc1cc(=O)n2c(C)csc2n1 15320385 RIVOISOXZQFTBY-UHFFFAOYSA-N 319.817 3.638 0 40 DHAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1ccc(F)cc1 15388893 VWCOGVKYZZZRSE-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB O=C(CCCc1ccccn1)N1CCC[C@H](Cc2ccccc2)C1 19370550 QPEPQVFESHVEKP-LJQANCHMSA-N 322.452 3.886 0 40 DHAB CCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3 19855587 ZHYWJBGMWFNSCN-UHFFFAOYSA-N 315.413 3.609 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1C 27970936 RZRAKMSFMCPKQM-UHFFFAOYSA-N 305.381 3.572 0 40 DHAB O=C(Nc1ccccc1N1CCCCCC1)c1cc(C2CC2)[nH]n1 32776827 NIVDBMWPBDIYLH-UHFFFAOYSA-N 324.428 3.920 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 32900359 RCYYKFYYIIRAPA-INIZCTEOSA-N 319.408 3.634 0 40 DHAB Cc1cccc(NC(=O)CCc2nc(Cc3ccccc3)no2)c1 32930961 XBIJVFPDBVHABI-UHFFFAOYSA-N 321.380 3.540 0 40 DHAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)C1 36359361 OOLHBTYJNKRUKN-OAHLLOKOSA-N 323.327 3.841 0 40 DHAB Cc1nnc(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)s1 40105511 DSGLBVNTLILMDE-JTQLQIEISA-N 320.418 3.516 0 40 DHAB COc1ccc([C@H](O)c2ccccc2Br)cc1C 40262427 IKAOJWJPBFMGMS-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB CCOc1cccc2cc([C@H](C)NC(=O)c3cccnc3)oc12 57908406 KOEZGMQDDSOVFH-LBPRGKRZSA-N 310.353 3.718 0 40 DHAB C[C@@]1(C(=O)N2CCCc3cc(F)ccc32)CC1(Cl)Cl 58087450 WBOKXVOIMZQRIS-ZDUSSCGKSA-N 302.176 3.689 0 40 DHAB O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1CCCCC1 58326502 PSDDHHFONWRMEI-KGLIPLIRSA-N 308.219 3.565 0 40 DHAB O=C(NCc1ccccn1)Nc1cccc(SC(F)F)c1 66964771 RCBFXUYHARGSII-UHFFFAOYSA-N 309.341 3.718 0 40 DHAB COc1ccc(-c2nc(C)c(-c3ccc(S)nn3)s2)cc1 70635265 YQINKKJYVGCQKE-UHFFFAOYSA-N 315.423 3.873 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1c1ccsc1 71841385 UPXQUYKSBOIVEO-CYBMUJFWSA-N 324.833 3.994 0 40 DHAB COCCCC(=O)Nc1ccc(Nc2nc(C)cs2)cc1 71896260 OBQUNWDWFCSAEM-UHFFFAOYSA-N 305.403 3.560 0 40 DHAB Cc1cc(-c2cnc(NCc3ccccn3)nc2C(C)C)on1 72341120 CVTFLPODKPMILP-UHFFFAOYSA-N 309.373 3.571 0 40 DHAB Cc1nnsc1C(=O)Nc1cccc2c1ccn2CC(C)C 72404737 YWTOMKKICPYVPJ-UHFFFAOYSA-N 314.414 3.710 0 40 DHAB COc1ccc(OCCCC(=O)NCCC2=CCCCC2)cc1 75240875 YHOZFMDYKMXQQJ-UHFFFAOYSA-N 317.429 3.861 0 40 DHAB Cc1c(C(=O)N[C@H]2CCCc3occc32)cnn1-c1ccccc1 84045007 MEIJHGAZSDDTNT-KRWDZBQOSA-N 321.380 3.581 0 40 DHAB C[C@@H]1CCOCCN1C(=O)Nc1cc(Cl)ccc1Cl 89263050 GZIAOAFSMZXYMZ-SECBINFHSA-N 303.189 3.636 0 40 DHAB CC(C)[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccn1 89801822 PYOAZLPTVHSORK-DLBZAZTESA-N 301.434 3.753 0 40 DHAB O=C(Nc1c(F)cccc1NC1CC1)c1n[nH]c2ccccc12 89866695 XOOKQWSPIXVWEN-UHFFFAOYSA-N 310.332 3.529 0 40 DHAB CCc1nc(CN[C@H](C)c2ccc(F)cc2N(C)C)cs1 95422162 WVUIOJNRRWLASF-LLVKDONJSA-N 307.438 3.761 0 40 DHAB Cc1nc(C2CCC2)nn1Cc1ccc(Br)cc1 95431454 MMKCONHYKFYTEG-UHFFFAOYSA-N 306.207 3.665 0 40 DHAB O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H]1c1ccsc1 96418234 SYBVMKBBLCTUPQ-GOEBONIOSA-N 317.385 3.554 0 40 DHAB O[C@H](CN1CC[C@H](c2ccccc2)C1)c1ccccc1Cl 106757511 XXXVGSWKBKQDCE-MAUKXSAKSA-N 301.817 3.863 0 40 DHAB C[C@H](c1ccc(Br)cc1)N1CCC[C@](C)(CO)C1 107367546 QMOGJVSNJZOYSB-DOMZBBRYSA-N 312.251 3.605 0 40 DHAB NCc1cnc2c(Cl)cc(Br)cc2c1Cl 199524437 XZXZFKOGDZRXED-UHFFFAOYSA-N 305.990 3.763 0 40 DHAB CCOC(=O)c1cn2cc(-c3ccc(Cl)cc3)sc2n1 216120407 TZVZVFKCQKGANL-UHFFFAOYSA-N 306.774 3.893 0 40 DHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222903322 RQDFZZKVXRITIR-CVEARBPZSA-N 315.442 3.612 0 40 DHAB COc1ccccc1C(=O)NCCOc1ccccc1C(C)C 223748566 NKTOGKUJUHSCRX-UHFFFAOYSA-N 313.397 3.627 0 40 DHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccccc1 224153570 ARZMFJYOTVDJAS-DLBZAZTESA-N 320.421 3.587 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2cccc(Cl)c2)cc1C 225177348 JDZMXVMHADNBEO-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCCCOc1c(C=O)cc(Br)cc1OCC 225274865 VBGFVNAPHOAFBR-UHFFFAOYSA-N 301.180 3.839 0 40 DHAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225645278 JOIYOSKMQZXBHE-ACJLOTCBSA-N 305.418 3.926 0 40 DHAB CC(C)Oc1nn(C)c2ccc(NC(=O)C3CCCCC3)cc12 227163975 PJAQVRLAEKZNDJ-UHFFFAOYSA-N 315.417 3.879 0 40 DHAB O=C(NC1CCC(F)(F)CC1)c1cccc(OC(F)(F)F)c1 390832186 XWQITHSWKJKCLX-UHFFFAOYSA-N 323.261 3.893 0 40 DHAB CCN1C(=O)N/C(=C\c2ccccc2Sc2ccccc2)C1=O 409232697 OWCSPPSRAFAQRX-QINSGFPZSA-N 324.405 3.750 0 40 DHAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 37680 FILDOHIGWAFWKQ-UHFFFAOYSA-N 321.785 3.800 0 40 DHAB O=C1c2ccccc2C(=O)N1CNc1cccc(Cl)c1Cl 194255 CGZPRSUCILHIDQ-UHFFFAOYSA-N 321.163 3.659 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cc2ccccc2c(=O)o1 204942 GPHYOQRPFZLJIS-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB Fc1ccc2[nH]c3c(NCCc4ccccc4)ncnc3c2c1 538896 LUBOILNLCBZIPP-UHFFFAOYSA-N 306.344 3.905 0 40 DHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)cc1 586953 HIBRGRZJMIDIHI-IZZDOVSWSA-N 316.813 3.866 0 40 DHAB CC(C)[C@H]1[C@@H](O)[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)CO)[C@@H]2C[C@H]13 5104523 GZDLNFIMMVRZGR-WMWOVULTSA-N 306.490 3.854 0 40 DHAB C[C@@H](OC(=O)C1CCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 5507337 QJWYTAZKFWDBPI-MRVPVSSYSA-N 316.184 3.664 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)c(F)c1 5980913 MRJBGQVFDIWRNF-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB COc1ccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)cc1 6480156 QPHYDYNPYJPUGU-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB O=c1cnn(Cc2c(Cl)cccc2Cl)c2ccccc12 7248421 VDRRRDVBVSNIAK-UHFFFAOYSA-N 305.164 3.752 0 40 DHAB COc1ccc(C)cc1Nc1nc2ccccc2c2nnc(C)n12 7500058 IZYPZLDIWOLRHA-UHFFFAOYSA-N 319.368 3.647 0 40 DHAB CC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)cc1 7792571 IJIHSPKPJPMIPX-SFHVURJKSA-N 313.397 3.650 0 40 DHAB Fc1cccc(NC(=S)NCCSc2ccccc2)c1 7926074 BPUUQQRZPYYGLK-UHFFFAOYSA-N 306.431 3.904 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 8050112 DKPZQIQZWMTQNU-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB CCOc1ccc2nc(C)c(CN3CCC(C)CC3)c(O)c2c1 8714097 QFMIEJZUDMBAQQ-UHFFFAOYSA-N 314.429 3.879 0 40 DHAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)C(C)(C)C)c1 9064122 HQOOHDRSOYPUDG-JTQLQIEISA-N 308.447 3.765 0 40 DHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccoc1 9447072 WRHCWALIOYEBEY-UHFFFAOYSA-N 312.350 3.590 0 40 DHAB O=C(Nc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 10260394 HRDVMNQYHRAPMS-UHFFFAOYSA-N 320.396 3.974 0 40 DHAB CC(C)OCCCNC(=O)CCc1ccc(C(C)(C)C)cc1 10359186 YVIFNPPJPVOTSV-UHFFFAOYSA-N 305.462 3.848 0 40 DHAB Cc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 11914345 MBILIUYHYZVJCG-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB CCCC[C@H](CC)Cn1c(-c2nonc2N)nc2ccccc21 12419650 QERYPZDMMYDWTF-LBPRGKRZSA-N 313.405 3.885 0 40 DHAB Cc1cnc(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)cn1 12591387 CBBIQKXMFSGACI-CMDGGOBGSA-N 316.364 3.603 0 40 DHAB Cc1cccc(OCCNC(=O)c2ccc(F)cc2Cl)c1 12620758 DDRYOHAHIFSMNN-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 13005615 DGTFQSDFTTYGMD-FZKQIMNGSA-N 323.392 3.669 0 40 DHAB COc1ccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 13424518 NEZRGMCJLFQOBX-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB c1c[nH]c(-c2nnc(SCc3cc(-c4ccco4)on3)o2)c1 14138512 FHLGTXVSZCNXAW-UHFFFAOYSA-N 314.326 3.605 0 40 DHAB Fc1cccc(CSc2nnc(-c3ccncc3)o2)c1F 14140313 XHEJPXKFOZJIOC-UHFFFAOYSA-N 305.309 3.702 0 40 DHAB O=C(Cc1csc(-c2ccccc2)n1)NOCc1ccccc1 14168867 JOOGHTGZKUCAKM-UHFFFAOYSA-N 324.405 3.601 0 40 DHAB COc1cccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)c1 14197266 GTLCAPYJPYJMSK-UHFFFAOYSA-N 313.382 3.708 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1 14219697 NYZYEKLQRGWIOG-QGZVFWFLSA-N 303.427 3.566 0 40 DHAB Cc1ccc(OCCNC(=O)CSc2ccccc2)c(C)c1 15139589 FTQOCQQNTXWRIT-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccn(C(F)F)n2)cc1C 19213871 WAQPSOXWFXOOAB-HNNXBMFYSA-N 319.355 3.872 0 40 DHAB O=C(Cc1ccsc1)Nc1ccc(F)cc1Br 20430173 GQWFPMYWCDCLJF-UHFFFAOYSA-N 314.179 3.831 0 40 DHAB Clc1cccc(Cl)c1CNc1ccc(-n2cnnn2)cc1 21517740 XISXGTRKNLJRRA-UHFFFAOYSA-N 320.183 3.581 0 40 DHAB Cc1cc(S(=O)(=O)N2c3ccccc3CC[C@H]2C)c(C)s1 21890007 KCRYMCWFJLWTKX-LLVKDONJSA-N 321.467 3.895 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(F)c2)cc1C 21999102 USTNATBSBRNAIU-CQSZACIVSA-N 301.361 3.699 0 40 DHAB CCc1n[nH]c(SCc2csc(-c3ccsc3)n2)n1 22988930 RPDDTEOCCISQQU-UHFFFAOYSA-N 308.457 3.844 0 40 DHAB CC(/C=C1\N=C(c2cccc(F)c2)NC1=O)=C\c1ccccc1 23379241 SANDIGMCIBBVGJ-NEOBQEPSSA-N 306.340 3.690 0 40 DHAB C[C@H](NC(=O)C(C)(C)C)c1ccc(OCc2cccnc2)cc1 32924680 WVRSWSCBJPSQSW-AWEZNQCLSA-N 312.413 3.884 0 40 DHAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1 34929502 OBHGLEDGKAWUTM-OAHLLOKOSA-N 318.417 3.617 0 40 DHAB COc1cc2c(cc1O)CC[C@@H]1O[C@@H](c3ccc(O)cc3)C=C[C@H]21 38296656 YGXXFSKCHMIRPK-LZQZEXGQSA-N 324.376 3.833 0 40 DHAB biogenic,in-vitro CN(C)Cc1cccc(CNC(=O)Nc2ccccc2Cl)c1 43146521 RCJCQUZHPXVDBJ-UHFFFAOYSA-N 317.820 3.723 0 40 DHAB C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCSc2ccccc21 48253716 CAOGGRJYXQDYGS-IUODEOHRSA-N 316.426 3.747 0 40 DHAB CCOc1ccccc1NC(=O)NCc1ccccc1COC 48332562 KAWASLBCCFIVID-UHFFFAOYSA-N 314.385 3.553 0 40 DHAB COc1cccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)n[nH]2)c1 51315926 ZSHSVDAXDFPDOY-CYBMUJFWSA-N 321.380 3.576 0 40 DHAB CCOC(=O)c1c(C)nn(-c2nc3ccc(C)cc3s2)c1C 57351354 DWCAWIIPFUZECE-UHFFFAOYSA-N 315.398 3.584 0 40 DHAB CC(C)(C)CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 58289635 ZQNIVUINEKKDOF-CQSZACIVSA-N 308.491 3.513 0 40 DHAB CCCC(=O)Nc1cccc(NCc2nc(C3CC3)no2)c1C 58441719 BKQKEDPXSDORPY-UHFFFAOYSA-N 314.389 3.606 0 40 DHAB CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)c1cccc(Cl)c1 69550210 ZFXCWFMTTICYJN-HNNXBMFYSA-N 313.781 3.555 0 40 DHAB O=C(CCc1cc(F)ccc1F)N1CCC[C@@H]1c1ccc[nH]1 71823307 DUCBPZDZNQPPEM-MRXNPFEDSA-N 304.340 3.589 0 40 DHAB Cc1nc(C2(NCc3cccc(F)c3F)CCCCC2)no1 71826827 JCWALFVOODMUJR-UHFFFAOYSA-N 307.344 3.605 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)C)n2)n1 72300345 LVDGKXCYWYWLIU-ZDUSSCGKSA-N 318.446 3.665 0 40 DHAB CC[C@H](CC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1 78703432 LPXRAPNPYRPNHR-CYBMUJFWSA-N 308.381 3.704 0 40 DHAB Cc1nc(C)c(CNC(=O)Nc2ccc(F)c(Cl)c2)s1 86071760 HOCFSWLIKZTJQI-UHFFFAOYSA-N 313.785 3.874 0 40 DHAB Cc1ccc(C)c(-c2noc(COc3cccc(C=O)c3)n2)c1 89262887 OCVLMLQCGQYJMA-UHFFFAOYSA-N 308.337 3.745 0 40 DHAB FC(F)(F)[C@H]1CCCn2c(CNC3CCCCCC3)nnc21 89818911 WJPJXKXVDLIUOF-LBPRGKRZSA-N 316.371 3.530 0 40 DHAB CCOCCn1c(CCCCC(=O)O)nc2ccc(Cl)cc21 95095717 QXWGGEIDFHCTCR-UHFFFAOYSA-N 324.808 3.524 0 40 DHAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1cccc(O)c1 95116037 VKHJBYBKVRJQIM-HNNXBMFYSA-N 322.320 3.570 0 40 DHAB O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCOC2(CCCC2)C1 95422734 KHHOCRAGKYZEEW-STQMWFEESA-N 319.367 3.527 0 40 DHAB C[C@@H](NC(=O)c1ccccc1COC1CCOCC1)C(C)(C)C 95449664 UQFJFOUOOVIMMH-CQSZACIVSA-N 319.445 3.547 0 40 DHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc3ccccc13)OC2=O 100261012 LDXKDZPUJVLPHZ-WOJBJXKFSA-N 323.392 3.900 0 40 DHAB Clc1ccc(CN2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100637958 IMWQSUXPHZJAIV-JFIYKMOQSA-N 304.865 3.646 0 40 DHAB O=C(CSc1cccs1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 101747415 FLVQJTJZHSBULD-RRQGHBQHSA-N 315.463 3.685 0 40 DHAB Cc1ccc2[nH]c(C)c(CC(=O)n3cccc/c3=N\C(C)C)c2c1 102178456 HUBJYZQZYPSXBS-XUTLUUPISA-N 321.424 3.778 0 40 DHAB C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)[C@H]1C[C@H]2CC[C@H]1C2 107451351 OSGFBVVBLYQODD-NJIPAJOUSA-N 321.424 3.584 0 40 DHAB C[C@@H](NC(=O)CCCOc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 108924827 WLHLXJWNOQGCPP-MUQADHOPSA-N 301.430 3.787 0 40 DHAB O=C(CCc1ccnc2ccccc12)c1ccc2c(c1)OCO2 199737533 XLWYNKFXHYVJGV-UHFFFAOYSA-N 305.333 3.779 0 40 DHAB CCCN(C)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 199800448 LJDZVTWLHIRVNO-UHFFFAOYSA-N 312.204 3.768 0 40 DHAB Cc1ccc(N2N[C@](C)(c3ccc(Cl)cc3)NC2=S)cc1 225342030 DDNKDZIRZBHZPX-MRXNPFEDSA-N 317.845 3.720 0 40 DHAB CCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225894274 URXGLUNJUBRZTJ-QGZVFWFLSA-N 308.422 3.569 0 40 DHAB Cc1cncc(C2CCN(Cc3ccc4ncccc4c3)CC2)n1 257239448 HPHHDDYDGFBAPP-UHFFFAOYSA-N 318.424 3.713 0 40 DHAB Cc1nnc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)s1 541882217 QNVVDWXVWALPQZ-JTQLQIEISA-N 316.455 3.821 0 40 DHAB C[C@@]1(c2nc(-c3ccccc3NC(=O)C3CC3)no2)C[C@@H]2C[C@@H]2C1 559934561 BIYBRIJWMSQTCY-WURKVNMJSA-N 323.396 3.773 0 40 DHAB O=C(c1ccc(Br)cc1OC(F)(F)F)C1CC1 575362604 HNRUXDMVROBDQS-UHFFFAOYSA-N 309.081 3.940 0 40 DHAB O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)c1ncoc1C1CC1 585139766 XADDGLJLRSHWOU-QWHCGFSZSA-N 314.360 3.757 0 40 DHAB CC(C)(C)c1nc2ccccc2n1C1CN(c2nccs2)C1 1889176616 AVEWTVHYQSDWTK-UHFFFAOYSA-N 312.442 3.852 0 40 DHAB CC(C)c1nccn1CC1CN(c2cc(C(F)(F)F)ccn2)C1 2087122880 WMOBBNYXROJSGD-UHFFFAOYSA-N 324.350 3.557 0 40 DHAB O=C1C[C@@H](c2ccc3c(c2)OCCCCO3)Oc2ccccc21 138849 HPEJRAAMFWGYEO-SFHVURJKSA-N 310.349 3.945 0 40 DHAB biogenic COc1ccc(OC(=O)COc2ccc(Cl)c(C)c2)cc1 466377 SDYPAGNMNUNXJN-UHFFFAOYSA-N 306.745 3.641 0 40 DHAB Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccccn1 529505 ZEGLNHUKJXPGFG-UHFFFAOYSA-N 316.817 3.823 0 40 DHAB CCCOc1ccc(/C=C/C(=O)N2CCCCC2)cc1OC 1893638 NNTWVVDWUWJMOB-CSKARUKUSA-N 303.402 3.510 0 40 DHAB CCCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 2346518 ZWIQGUDPVXMTLN-UHFFFAOYSA-N 309.460 3.627 0 40 DHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)n1nnc2ccccc21 2752432 WNXVKDAPKVUFEL-NSHDSACASA-N 315.760 3.501 0 40 DHAB Cc1ccccc1NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 3188947 NOKQHAVFOBVKOV-UHFFFAOYSA-N 314.229 4.000 0 40 DHAB biogenic Cc1cccc(OCCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 3352747 DCMPSLZXOPROSC-AWEZNQCLSA-N 301.361 3.780 0 40 DHAB CC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 3538405 WHRZIANXXVVRDI-UHFFFAOYSA-N 306.365 3.942 0 40 DHAB O[C@](c1ccccc1)(c1cccnc1)C(Cl)(Cl)Cl 3844309 PIFPFCFRPXPWQS-GFCCVEGCSA-N 302.588 3.688 0 40 DHAB biogenic O=C1c2ccccc2-c2ccccc2[C@@]1(O)Cc1ccccc1 4114118 AZCWGXTZLLEBKV-NRFANRHFSA-N 300.357 3.980 0 40 DHAB O=C(Nc1nnc(-c2ccccc2)o1)c1nc2ccccc2s1 4276171 FJTVSMDFNPODDK-UHFFFAOYSA-N 322.349 3.599 0 40 DHAB CCN1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 5214775 CYHUFVANTKWRTJ-UHFFFAOYSA-N 324.453 3.500 0 40 DHAB Cc1cc(S[C@H](C)C(=O)N2CCCC2)nc2c(C)cccc12 5582462 CNXOYRRIATZUAI-CQSZACIVSA-N 314.454 3.955 0 40 DHAB CCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)CC)C2 5916321 XXDBSKRILMQPJV-JTQLQIEISA-N 322.474 3.737 0 40 DHAB CC1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)C(=O)N2 6818781 GDEWGDSTIJKCGH-UHFFFAOYSA-N 311.212 3.819 0 40 DHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 8060150 MJHFSDJKFWJYNK-UHFFFAOYSA-N 309.365 3.589 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C)c(C)c1 8849710 WFJXCFZLRQBNDO-UHFFFAOYSA-N 312.369 3.523 0 40 DHAB c1ccc(Nc2nc(NC3CCCC3)nc3nccnc23)cc1 9075193 NSQLGUZINZVXQP-UHFFFAOYSA-N 306.373 3.518 0 40 DHAB Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)s1 9986718 NAHDDVHQCYVPIO-UHFFFAOYSA-N 314.410 3.509 0 40 DHAB COc1ccc(SCCCC(=O)Nc2cc(C)on2)cc1 10218045 KXBSBESLNQPUJF-UHFFFAOYSA-N 306.387 3.503 0 40 DHAB Cc1cc(-c2cnc(N3CCCCCC3)nc2C(C)C)on1 12186869 JNVWCYPIOPMJQV-UHFFFAOYSA-N 300.406 3.944 0 40 DHAB CCCC[C@@H](CC)Cn1c(-c2nonc2N)nc2ccccc21 12419648 QERYPZDMMYDWTF-GFCCVEGCSA-N 313.405 3.885 0 40 DHAB CC(=O)Nc1cccc(-c2cc(C)c3cc4c(cc3n2)OCO4)c1 12610039 NHDWQRLOSKSUEM-UHFFFAOYSA-N 320.348 3.897 0 40 DHAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1cccc(Cl)c1 13250143 RQQVHQUQDMFHEW-AWEZNQCLSA-N 303.745 3.537 0 40 DHAB COC(=O)c1ccc(Oc2ccc(N)c(C(F)(F)F)c2)cc1 14630403 UAIOFVNSAQFIAX-UHFFFAOYSA-N 311.259 3.867 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2cccs2)N2CCCCC2)o1 15860180 POFNJUGHZMPJOP-AWEZNQCLSA-N 318.442 3.607 0 40 DHAB Cc1ccc(CC(=O)Nc2nnc(-c3ccccc3)s2)cc1 17369982 VZRCSEUKWJGQRQ-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB O=C(C1CCCC1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 19406755 IUDITSGIUQZRAF-CYBMUJFWSA-N 317.414 3.652 0 40 DHAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc(C3CC3)n[nH]2)c1 21736692 DAYFOQVLZPYHKJ-LLVKDONJSA-N 301.415 3.662 0 40 DHAB COc1cc(C)c(NC(=O)c2cc(F)ccc2F)cc1OC 22574501 XTFBKTREASNQHM-UHFFFAOYSA-N 307.296 3.543 0 40 DHAB CN(C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1cccs1 23105587 AYBYRDRQKHPDPC-QGZVFWFLSA-N 324.449 3.934 0 40 DHAB O=C(c1ccccc1Cl)N1CCO[C@H](c2ccccc2)C1 23896348 RGXCTLWVVXJQFM-INIZCTEOSA-N 301.773 3.554 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c(O)c1 23951736 CAVZQAXCACMIAN-NSHDSACASA-N 311.337 3.638 0 40 DHAB Cc1noc([C@H](C)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 27043290 KVKCLDKDMDFTAH-VIFPVBQESA-N 300.362 3.990 0 40 DHAB COc1cccc(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1 28219829 KNERBQCXDXVHSI-UHFFFAOYSA-N 322.368 3.833 0 40 DHAB Cc1csc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)n1 31873829 UVEQTWWGZOVFBO-UHFFFAOYSA-N 319.411 3.658 0 40 DHAB CC(C)COc1ccc([C@H]2CC(O)=Nc3nc(N)sc32)cc1 32093357 RXWPRIAARUYJED-GFCCVEGCSA-N 317.414 3.884 0 40 DHAB Cc1ccc2c(c1)Sc1ccccc1C[C@H]2N1CCN(C)CC1 33886456 ANCXKMUBJDEPRX-GOSISDBHSA-N 324.493 3.991 0 40 DHAB CCOc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 40525405 KSBWYZROPHJLFX-LLVKDONJSA-N 316.323 3.892 0 40 DHAB CC(=O)Nc1ccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 42207317 DFXSKRGTDMCXEU-HIFRSBDPSA-N 314.351 3.856 0 40 DHAB CC(C)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 44902485 ISMSYLDLXAWKED-QGZVFWFLSA-N 303.427 3.752 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)o1 48055616 DIRZZAFVWMMRFE-ABAIWWIYSA-N 313.401 3.828 0 40 DHAB O=C(NCc1ccoc1)c1ccccc1SC(F)(F)F 48998790 LOFWQPBFQYTIDG-UHFFFAOYSA-N 301.289 3.822 0 40 DHAB OCc1ccc(OCc2cccc(F)c2)c(Br)c1 59693326 KIAGTYWNNISGPN-UHFFFAOYSA-N 311.150 3.660 0 40 DHAB Cc1c(NC(=O)N2CCCC2)cccc1OCC(F)(F)F 69223987 KEOFLTHGSIJBAY-UHFFFAOYSA-N 302.296 3.564 0 40 DHAB COCc1ccc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cc1 71907524 UMFWIBQLHHWHTR-LBPRGKRZSA-N 317.351 3.882 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C 72214903 UQCWOTAVSGPSEK-HNNXBMFYSA-N 319.449 3.998 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)C[C@H](C)n2cccc2)n1 72286826 DWKKCCIXPLXXBS-LSDHHAIUSA-N 317.458 3.958 0 40 DHAB CCO[C@@H](C)c1nc(CNc2cccc3c2OCCO3)cs1 79065954 ACVLYWDFFXMDAT-NSHDSACASA-N 320.414 3.624 0 40 DHAB O=C(NCC[C@H](O)c1ccccc1)c1ccccc1C(F)(F)F 81254253 NVJWKVMAQWNTOD-HNNXBMFYSA-N 323.314 3.559 0 40 DHAB CN(C)c1ccc(C(=O)c2ccccc2OC(F)(F)F)cc1 95917449 WAMTXURMPUFQQZ-UHFFFAOYSA-N 309.287 3.882 0 40 DHAB O=C(Nc1cc(Cl)cc2c1OCC2)c1ccnc(Cl)c1 95944388 HWUQYJOIZXDYKD-UHFFFAOYSA-N 309.152 3.576 0 40 DHAB CO[C@@H](CNC(=O)CCCc1ccccc1)c1ccsc1 96363248 YUEVCJHMXKYBQL-INIZCTEOSA-N 303.427 3.575 0 40 DHAB Cc1cnc(COC(=O)c2ccnc(SC(C)(C)C)c2)o1 97048406 FYWCZWDJLJWCDK-UHFFFAOYSA-N 306.387 3.626 0 40 DHAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCC[C@H](c2nc3ccccc3o2)C1 102798805 KKUPGGATJAVMQL-LVQVYYBASA-N 324.424 3.970 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 103051427 ZVIFKIHTQYLPRS-JMIFQINSSA-N 301.430 3.703 0 40 DHAB Cc1c([C@@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc2n1C 104392580 XSHJTDDKKHPCKY-INIZCTEOSA-N 318.376 3.534 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COC 224682549 WZEOXEOJMYAYKH-CQSZACIVSA-N 313.397 3.723 0 40 DHAB C[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)c1ccccc1 257248559 JEFFJBKLALXQLF-AOVVWZQQSA-N 313.441 3.646 0 40 DHAB O=C(COCc1ccccc1)NCCCc1cc2ccccc2o1 390831639 TUBIAFKESOZUCF-UHFFFAOYSA-N 323.392 3.698 0 40 DHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccsc1 390832033 WSQXPIKHLAMCNH-GFCCVEGCSA-N 319.407 3.533 0 40 DHAB COc1ccccc1C(=O)Oc1ccc(-c2ccc(F)cc2)nn1 408531673 WLGSLGQCFJTTFN-UHFFFAOYSA-N 324.311 3.511 0 40 DHAB C[S@@](=O)c1cccc(NC(=O)Nc2cccc3cc[nH]c23)c1 547829926 MYORUOHAHYMBNB-JOCHJYFZSA-N 313.382 3.549 0 40 DHAB Cc1ccccc1C(=O)NC[C@@H](c1cc2ccccc2o1)N(C)C 575622156 WTTNKUMVJAIICW-KRWDZBQOSA-N 322.408 3.774 0 40 DHAB CCOC1(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)CCCC1 585081143 AEDXTPUITZASKM-QGZVFWFLSA-N 301.430 3.660 0 40 DHAB CC[C@@H]1C[C@@H](CC(=O)Nc2ccccc2-c2ncco2)CCO1 585126249 UDHIWHCTQMBIGH-UONOGXRCSA-N 314.385 3.875 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CNc3ccccc3C)cc2c1 421129 UWSPDXXBCGTSEC-UHFFFAOYSA-N 308.381 3.847 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 480427 YWVZWIWFDHPCFU-UHFFFAOYSA-N 318.323 3.956 0 40 DHAB Cc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)c(C)c1 535950 MNYPSQVHYZLGOC-UHFFFAOYSA-N 307.401 3.787 0 40 DHAB CN(C)c1ccc(C(=O)OCCCCNC2CCCCC2)cc1 1710565 IXSLOYPRMBUOQD-UHFFFAOYSA-N 318.461 3.612 0 40 DHAB COc1ccccc1C(=O)c1ccc(CN2CCCCC2)cc1 2514493 BKNOEGQBQUASCF-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB O=C(NC1CCCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 2661327 AOHGWLYZVBCVCN-SFHVURJKSA-N 317.429 3.697 0 40 DHAB CC[C@H](C)OP(=O)(CC(=O)N(CC)CC)O[C@H](C)CC 3075439 XBEYPEFIJYPKLA-QNBIARANSA-N 307.371 3.678 0 40 DHAB COc1cccc(NC(=O)COc2ccc(F)cc2Cl)c1 3320804 ZFIJCNNBQOVRGP-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)s1 3384884 VKGAITMLDBGUDQ-UHFFFAOYSA-N 317.410 3.849 0 40 DHAB Cc1cc(=O)oc2cc(NC(=O)CCc3ccccc3)ccc12 3448967 SUQUADBCKVXHFA-UHFFFAOYSA-N 307.349 3.673 0 40 DHAB COc1ccc([C@H]2NN=C(Cc3ccccc3)S2)c(OC)c1 4018008 YULTUKQZGPATEW-KRWDZBQOSA-N 314.410 3.595 0 40 DHAB Fc1cccc(Cl)c1CNCCCSc1ncccn1 4984097 OTYAOIXDUJACLZ-UHFFFAOYSA-N 311.813 3.541 0 40 DHAB Ic1ccccc1/C=C/c1ccccn1 5162214 WRQGEDHMZRDHGA-CMDGGOBGSA-N 307.134 3.857 0 40 DHAB Cc1cc(C)cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 6188775 MGUZWVHEBWLSEL-UHFFFAOYSA-N 313.441 3.767 0 40 DHAB O=C(Nc1ccccc1)N(Cc1cccs1)C[C@@H]1CCCO1 6597674 KNDFONLQZJXVST-HNNXBMFYSA-N 316.426 3.961 0 40 DHAB O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1CC(F)(F)F 7113348 UBHWPXUPBGGDCM-CQSZACIVSA-N 322.286 3.521 0 40 DHAB O=C(Cc1ccccc1Cl)N[C@H]1CCOc2ccccc21 7216143 NSNZQWCIESAAAR-HNNXBMFYSA-N 301.773 3.523 0 40 DHAB CCOc1ccc(NC(=S)NCc2cccc(OC)c2)cc1 7368546 PSOXQXMSRDSXGI-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB Cc1cc(CSc2nc(C3CC3)n(-c3ccccc3)n2)no1 7832169 NBOZTEUPYJKWHX-UHFFFAOYSA-N 312.398 3.733 0 40 DHAB COc1ccc(F)cc1COC(=O)c1ccc2ncsc2c1 8938143 KUUVMOXZAJYTEN-UHFFFAOYSA-N 317.341 3.801 0 40 DHAB Cc1ccccc1Cc1c(C)nn(-c2nc3ccccc3[nH]2)c1O 9191586 HQPAOBCVQDSJFR-UHFFFAOYSA-N 318.380 3.662 0 40 DHAB COc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cn1 12593139 WRVHRYNXODDAPO-UHFFFAOYSA-N 310.353 3.634 0 40 DHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cnn(-c2ccccc2)c1 12899264 RIZPSGRVZLHSGU-IBGZPJMESA-N 317.392 3.753 0 40 DHAB CCN(CC)C(=O)c1ccccc1NC(=O)C1CCCCC1 13716951 FEOJQGUNVJUCNU-UHFFFAOYSA-N 302.418 3.687 0 40 DHAB CC(=O)Nc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 15302807 XSSAOXBIXYQWNE-UHFFFAOYSA-N 308.381 3.776 0 40 DHAB O=C(O)c1c(Br)nc2ccccc2c1C(F)(F)F 16159920 IWBJBJOCBCGTEP-UHFFFAOYSA-N 320.064 3.714 0 40 DHAB O=C(N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccncc1 19373853 JAQORNMJQZBIJX-VJANTYMQSA-N 306.409 3.784 0 40 DHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCc1ccccc1 20457149 ACKYKRNDWNLGMK-SFHVURJKSA-N 311.425 3.820 0 40 DHAB CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2 24325591 KKSLLGDOUGZPOG-UHFFFAOYSA-N 322.408 3.624 0 40 DHAB COc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 25238387 PQBDELZQYBDSAY-WDEREUQCSA-N 316.323 3.938 0 40 DHAB O=C(CCC1CCCC1)Nc1ccn(Cc2ccccc2F)n1 27915997 ZWRFWPWMBLHLSR-UHFFFAOYSA-N 315.392 3.979 0 40 DHAB CC(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 32094087 JKSGKYQINNDFDD-UHFFFAOYSA-N 310.328 3.622 0 40 DHAB COc1ccc(-c2noc(CN3CCCc4ccccc43)n2)cc1 32751260 XSPVUXATHYBSDX-UHFFFAOYSA-N 321.380 3.698 0 40 DHAB Fc1cc(CN2CCN(c3ccccc3)CC2)c2ncccc2c1 32825149 MBDPWTCGQUPRKB-UHFFFAOYSA-N 321.399 3.696 0 40 DHAB O=C(Nc1cccc2cccnc12)N1CCc2ccccc2C1 40103879 BHFSCIYLFRPCOZ-UHFFFAOYSA-N 303.365 3.825 0 40 DHAB O=C(NCc1ccc(O)cc1)N1CCC[C@H]1c1ccsc1 45529827 RYDBRAFDWYJTNP-HNNXBMFYSA-N 302.399 3.500 0 40 DHAB Cc1cc(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)no1 56504345 PASOVONXMOPKNY-ZDUSSCGKSA-N 319.792 3.875 0 40 DHAB Cc1nc2cc(N[C@H](C)C(=O)N(C)Cc3ccccc3)ccc2o1 57157873 ZLUKBBLRDVSVON-CYBMUJFWSA-N 323.396 3.595 0 40 DHAB O[C@H](CNc1ncccc1C(F)(F)F)c1ccc(Cl)cc1 71887905 MYZQSNPPORDSQB-GFCCVEGCSA-N 316.710 3.899 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)CN(Cc1ccccc1)CC(F)F 72308843 KVBJSXZBRISBGO-GASCZTMLSA-N 324.415 3.543 0 40 DHAB Cc1nc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)cs1 76108123 DOXMMUZVJAHWGG-IRXDYDNUSA-N 302.443 3.540 0 40 DHAB CCSc1ccc(Cl)cc1C(=O)NC[C@H](C)C[C@@H](C)O 84301802 WFIPATHMMXZWDC-GHMZBOCLSA-N 315.866 3.589 0 40 DHAB O=C(O)c1cnc2ccc(C(F)(F)F)cc2c1Br 85386648 PVVQXHCRNKCXLV-UHFFFAOYSA-N 320.064 3.714 0 40 DHAB O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(F)c1 85651255 OPLZVYOSSUPEHN-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB Cc1ccc(CNCc2sccc2C)c(O[C@H]2CCOC2)c1 89623612 NLGFYQFYNMKFQN-INIZCTEOSA-N 317.454 3.822 0 40 DHAB Cc1nc2sccn2c1CN1CCC[C@@H](c2nccs2)C1 92788605 APVHHJPETHUEMK-GFCCVEGCSA-N 318.471 3.540 0 40 DHAB CC(=O)N(C)[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl 95396932 XFNNDPRNYCREIB-HNNXBMFYSA-N 309.196 3.956 0 40 DHAB C[C@@H](CCn1cccn1)N[C@@H](C)c1cccc(Br)c1 95996210 KAOMJMHNIJXKMG-STQMWFEESA-N 322.250 3.775 0 40 DHAB CC(C)[C@H]1CN(C)CCN1Cc1ccc(CSC(F)F)o1 96003694 TWMGANMPZHXDMT-CQSZACIVSA-N 318.433 3.507 0 40 DHAB c1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cs1 96057000 WMUHCITWGNZEDZ-ZWKOTPCHSA-N 321.486 3.546 0 40 DHAB O=C(O)c1cc(C(F)(F)F)nc2c(Br)cccc12 96171872 VUXUONCTCKESBJ-UHFFFAOYSA-N 320.064 3.714 0 40 DHAB O=C(c1cscn1)N1CCC[C@@H]1Cc1c(F)cccc1Cl 96403935 BHHZAGCUEISTEL-SNVBAGLBSA-N 324.808 3.783 0 40 DHAB CN(Cc1ccccn1)C(=O)c1ccc(Oc2ccccc2)o1 96451188 XADMDYHQBHCIKT-UHFFFAOYSA-N 308.337 3.739 0 40 DHAB Cc1cccc(-c2nc(C3C4CC5CC(C4)CC3C5)n[nH]2)c1N 97105483 KIFRHXRSZSTMBI-UHFFFAOYSA-N 308.429 3.902 0 40 DHAB O=C(CSCc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100228494 FVARRZHXSIQVPL-UMVBOHGHSA-N 309.862 3.878 0 40 DHAB Cn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cccc(F)c21 100909166 FKCHOKIFXGNSMM-SDXDJHTJSA-N 320.776 3.773 0 40 DHAB Cc1cccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1C 101275268 WNPKMVOZBKCHGU-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CC(=O)Oc1ccc([C@@H](c2ccc(O)cc2)c2ccccn2)cc1 117803522 IGNJZSFTZVUILA-HXUWFJFHSA-N 319.360 3.893 0 40 DHAB in-vitro CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(C)nc1C 162252983 YLMGLEPOBCOGPS-HNNXBMFYSA-N 305.422 3.511 0 40 DHAB O=C(Cc1ccsc1)N1CCS[C@@H](c2ccccc2)CC1 206988447 NOCUAAQFZGOHGS-MRXNPFEDSA-N 317.479 3.997 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2)c(C)c1 219527776 KBDSKSMAAWLWGU-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB O=C(Nc1ccccc1-c1ccc(C(=O)O)o1)c1ccccc1 226356503 UEHOEJLOHOUBIP-UHFFFAOYSA-N 307.305 3.897 0 40 DHAB CO[C@H](CNC(=O)c1ccccc1C)c1cc2ccccc2o1 245180702 ZHIDZXAQEGPOFP-GOSISDBHSA-N 309.365 3.859 0 40 DHAB CCCN(c1cccc(Br)c1)[C@H](CC)C(=O)O 260679447 NJXGHJUYKDCSSD-GFCCVEGCSA-N 300.196 3.529 0 40 DHAB COc1ccc(NC(=O)NCc2cncc(-c3ccoc3)c2)cc1 575621637 ZOPMKNIOZUZQBR-UHFFFAOYSA-N 323.352 3.672 0 40 DHAB O[C@@H](CNc1ccccn1)Cn1c2ccccc2c2ccccc21 1565523821 XSAGWOMZQATCHE-HNNXBMFYSA-N 317.392 3.663 0 40 DHAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1 804498 HOUVPLOZMHLJPB-KBPBESRZSA-N 309.475 3.936 0 40 DHAB COc1ccccc1OCCn1cc(C(C)=O)c2ccccc21 807324 OPTOWUPJICDIBM-UHFFFAOYSA-N 309.365 3.932 0 40 DHAB OCc1ccccc1CC(O)(c1ccccc1)c1ccccc1 1632666 XFHDGYJDVRDMQS-UHFFFAOYSA-N 304.389 3.658 0 40 DHAB S=c1[nH]nc(SCc2ccccc2Cl)c2nc[nH]c12 1691133 FYVMPAXUGAZBIO-UHFFFAOYSA-N 308.819 3.961 0 40 DHAB in-vitro Clc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2)cc1 2535333 AQKXTUXOOAHCHI-UHFFFAOYSA-N 323.743 3.638 0 40 DHAB CCN(CC)CCOc1ccc(/C=C/c2cc(C)no2)cc1 3110537 FIQHCQLSUGIIRB-DHZHZOJOSA-N 300.402 3.874 0 40 DHAB CCc1nnc(NC(=O)CCCSc2ccccc2)s1 3288573 IADWLEWHQGNLJG-UHFFFAOYSA-N 307.444 3.612 0 40 DHAB CSc1ccccc1NC(=O)CSc1nc(C)cs1 3413973 GXMHMKSUKCGVCE-UHFFFAOYSA-N 310.469 3.904 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 3611508 LFPVYMKWCQEZCA-LBPRGKRZSA-N 317.772 3.949 0 40 DHAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C 4083874 CMRJPMODSSEAPL-ZRNYENFQSA-N 312.409 3.900 0 40 DHAB biogenic Cc1cccc2c1C(C)(C)[C@]1(C)NC(=O)c3ccccc3CN21 5337845 IJSZHRJBWHKVDF-HXUWFJFHSA-N 306.409 3.752 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)C1C[C@@H]2CCC[C@H](C1)C2=O 7263956 GIAHKTSLCDMTNO-IXEWLPCDSA-N 311.425 3.576 0 40 DHAB COc1ccc(OC)c(NC(=S)Nc2ccc(C)c(F)c2)c1 7351460 VNPSNNUZIFBMAW-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1cc2ccccc2o1 7890105 XQZZWDOTXLPCKB-GFCCVEGCSA-N 313.328 3.828 0 40 DHAB CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 9158073 IFNWSSJQYATINZ-UHFFFAOYSA-N 312.413 3.518 0 40 DHAB O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2N1 10642201 SPCVUXKSFLJGJP-LLVKDONJSA-N 318.735 3.544 0 40 DHAB COc1ccc(C(C)=O)cc1CSc1nc(C(C)(C)C)n[nH]1 12256051 YUDCYSABJMJPQL-UHFFFAOYSA-N 319.430 3.606 0 40 DHAB O=C(Cc1cccc2ccccc12)Nc1nc2ccccc2[nH]1 12488186 IKKCVQNMJMWQTM-UHFFFAOYSA-N 301.349 3.897 0 40 DHAB COc1ccc2cc(CNc3cccc(C)c3C)c(=O)[nH]c2c1 12493299 UPMSOSCLMYDMIN-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB Cc1ccn2c(=O)cc(CSCc3ccccc3C)nc2c1 15752104 MXBCNIGFQYHZSG-UHFFFAOYSA-N 310.422 3.745 0 40 DHAB CCn1cc(-c2cncn2CCCOc2cccc(C)c2)cn1 19719598 QUIUWJSHUDPNFB-UHFFFAOYSA-N 310.401 3.544 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 20489982 BQTZOGCRSCDXFP-QGZVFWFLSA-N 323.436 3.964 0 40 DHAB CC(C)OCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 21634132 KHBJPSJQQRRNBZ-UHFFFAOYSA-N 305.349 3.631 0 40 DHAB CCOc1ccccc1C(=O)Nc1noc(-c2ccc(C)cc2)n1 21800592 CBYACPGYMOOFQH-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB Cc1ccnc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 27974650 CTJREPYORUPPSB-CQSZACIVSA-N 306.365 3.949 0 40 DHAB Cc1cccc(CN[C@H](c2ccccc2F)c2nccn2C)c1 30645905 IWVLJYKIVJPZAG-GOSISDBHSA-N 309.388 3.747 0 40 DHAB O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCCCC1 30854874 MLMAZKWINGSSSB-UHFFFAOYSA-N 320.436 3.875 0 40 DHAB CCc1cc(C(=O)NCCc2ccccc2OC)sc1C 32986562 IGVWXOLYKYJIQS-UHFFFAOYSA-N 303.427 3.600 0 40 DHAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(Cl)s1 33192586 QHTPIBHJDCACMA-CABZTGNLSA-N 307.802 3.582 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)c(O)c(C)c2)C1=O 33616601 SJLLYVVYHVSNAI-KAQJVSAMSA-N 305.399 3.844 0 40 DHAB COc1ccc([C@@H](O)c2cccc(Br)c2)cc1C 40262436 AMZOYJPXKAEUPJ-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB CC[C@H](C)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 40512968 IGBRXLZNYIBUJA-ZDUSSCGKSA-N 314.385 3.654 0 40 DHAB OCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 40743652 MXFFAAIVVIIIFL-UHFFFAOYSA-N 300.185 3.725 0 40 DHAB CC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 43466501 IYYCMFFSSDZPJO-UHFFFAOYSA-N 312.413 3.980 0 40 DHAB OC1=Nc2c(cnn2-c2ccccc2)[C@H](c2cccnc2)SC1 49544798 VAQGORJRXZDFCQ-INIZCTEOSA-N 322.393 3.692 0 40 DHAB Cc1cc(NC(=O)CCN(C)[C@H](C)c2ccccc2Cl)no1 51425947 LCBOMKXTGVWVNG-GFCCVEGCSA-N 321.808 3.658 0 40 DHAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)Nc1nccs1 52797439 WEHMVEKCAJOTDG-UHFFFAOYSA-N 324.356 3.666 0 40 DHAB CC[C@@H](C)N1COc2c(Cl)cc3c(C)cc(=O)oc3c2C1 57142857 VJHVOZQVMASIHP-SNVBAGLBSA-N 307.777 3.705 0 40 DHAB CSc1ccc(-c2noc(CN3CCC[C@@H](C)C3)n2)cc1 57427592 GLKVFBUTRGJMTH-GFCCVEGCSA-N 303.431 3.690 0 40 DHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCOCC1 58380694 GFAQAINGYAHUQY-ROUUACIJSA-N 301.430 3.598 0 40 DHAB CCc1ccsc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C 60155627 GVICYAKFXXGISP-INIZCTEOSA-N 316.470 3.652 0 40 DHAB Cc1ccc2nc3c(c(C(=O)NCC(F)(F)F)c2c1)CCCC3 68682622 RWGUAOZEVHSPEW-UHFFFAOYSA-N 322.330 3.714 0 40 DHAB C[C@@H](SC[C@@H](O)c1ccccc1)c1nc(C(C)(C)C)no1 69290625 QSQICFOPRXNGHQ-DGCLKSJQSA-N 306.431 3.895 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccsc2)cc1 72221713 XSBGTEGUTCKLBW-INIZCTEOSA-N 321.467 3.972 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 72273838 QEXAFMOMKIQKLT-CQSZACIVSA-N 318.446 3.665 0 40 DHAB C[C@@H]1CC(CCS(=O)(=O)Cc2cscn2)C[C@@H](C)C1 84686180 ZFDOPULXCLJELU-RYUDHWBXSA-N 301.477 3.520 0 40 DHAB CCNC(=O)COc1cccc(N[C@H](C)c2cccc(F)c2)c1 95404395 MUOCIXZKELDYGE-CYBMUJFWSA-N 316.376 3.514 0 40 DHAB Cc1c(C(=O)Nc2cccc3[nH]ccc23)cnn1-c1ccccc1 95473876 OHQXLLCOAYXGFA-UHFFFAOYSA-N 316.364 3.914 0 40 DHAB Fc1ccc(Cn2ccnc2-c2ccnc(Cl)c2)cc1F 95990723 COWROJRACAADSD-UHFFFAOYSA-N 305.715 3.925 0 40 DHAB Cc1ccc(-c2noc(C[C@](C)(O)c3ccccc3)n2)cc1F 96003504 GQNVNBLHJNZIAA-SFHVURJKSA-N 312.344 3.634 0 40 DHAB CO[C@@H]1CCN(c2ccc(NC(=O)Nc3ccccc3)cc2)C1 96122317 QQODCLOZURNWND-QGZVFWFLSA-N 311.385 3.556 0 40 DHAB CSC[C@H](C)N(C)C(=O)Nc1cccc(N2CCCCC2)c1 96413376 UVYKNXAYNHXNEP-AWEZNQCLSA-N 321.490 3.892 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2ccncc2)o1 96433158 UESZHJKLQSQZGC-YOEHRIQHSA-N 312.413 3.915 0 40 DHAB CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cc(C)on1)CCC2 96476078 FCOBTHNAUHTFHS-LLVKDONJSA-N 320.418 3.543 0 40 DHAB C[C@H](NC[C@]1(CCO)CCOC1)c1cc2cc(Cl)ccc2o1 96493445 GVEBJMUZFXQCTI-SJCJKPOMSA-N 323.820 3.526 0 40 DHAB Cc1ncsc1C(=O)NCc1ccnc(SC(C)(C)C)c1 97047130 ZLFJXEAWXFWBIY-UHFFFAOYSA-N 321.471 3.667 0 40 DHAB Cc1nnc(CN[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)o1 97110967 WTUPZDTZCPOHTK-ZJUUUORDSA-N 313.323 3.679 0 40 DHAB C[C@@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)C[C@@H](C)O1 101449331 OVLKUSWBFCKOFN-KUDLUPIISA-N 305.462 3.619 0 40 DHAB CC[C@]1(C)Nc2ccccc2-c2nc(=O)c(-c3cccs3)nn21 102112531 FLKBTQADEGAIOA-QGZVFWFLSA-N 324.409 3.542 0 40 DHAB COc1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219850384 FNZLFUIMVQKSIQ-UHFFFAOYSA-N 324.424 3.859 0 40 DHAB Cc1ccc(OCCCC(=O)NCCc2ccc(F)cc2)cc1 224143342 KVOYZHCZLFXDHJ-UHFFFAOYSA-N 315.388 3.652 0 40 DHAB CCCNC(=O)c1ccc(OCC)c(COc2ccccc2)c1 224358767 QJMZHWIRUNGSCH-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2ccccc2F)cc1C 225178395 JERNZNNHIUGDDX-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB COc1ccc2cc(C(=O)Nc3c(C)cccc3C)c(=O)oc2c1 226042657 KJANRCTYAVMDEZ-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB Nc1ccc(N2CCCC2)c(NC(=O)c2cccc(Cl)c2)c1 226255757 LRPWDJXMOJMEII-UHFFFAOYSA-N 315.804 3.775 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)C1 253476766 BGMMDRMBSMZBJT-VBXOEGAOSA-N 323.521 3.557 0 40 DHAB CCC(CC)[C@@H](NC(=O)N1CC(C(C)(C)O)C1)c1cccs1 332049581 TUMOLJKAFACWNQ-OAHLLOKOSA-N 324.490 3.638 0 40 DHAB C[C@H]1CC2(C)C[C@H](C)C1(COC(=O)NC1CCCCC1)CO2 244423 ZMDXDZFDQRGJIR-DIOPXHOYSA-N 309.450 3.887 0 40 DHAB biogenic CCCc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 385336 HHAPBDGUCKYROO-UHFFFAOYSA-N 312.320 3.824 0 40 DHAB CCO[P@@](=O)(c1ccccc1Cl)C1(O)CCCCC1 523440 ZTVTWWKZQAFXIE-IBGZPJMESA-N 302.738 3.933 0 40 DHAB O=C(c1ccc(Cl)cc1)n1cc2c(n1)-c1ccccc1OC2 1395720 QCMKYNMXNXJXEB-UHFFFAOYSA-N 310.740 3.784 0 40 DHAB CCNCCCCCCNc1cc(OC)cc2cccnc12 1687517 JFCAWNCLPVCJJB-UHFFFAOYSA-N 301.434 3.825 0 40 DHAB Cc1ccc2oc([C@@]3(C)Cc4ccccc4C(=O)O3)cc(=O)c2c1 3491359 QVAJJEOVLXIZID-HXUWFJFHSA-N 320.344 3.730 0 40 DHAB CC(C)(C)C(=O)N(Cc1ccc(Cl)cc1)c1cnccn1 4110176 FSGYWLQOZFSAAQ-UHFFFAOYSA-N 303.793 3.709 0 40 DHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(F)cc1 4674050 RJQDXVFZBXXKEH-UHFFFAOYSA-N 307.390 3.751 0 40 DHAB CC(=O)Nc1ccccc1OCCOc1ccc(Cl)cc1 5111851 PFSUURIGQODVJK-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB CCc1ccc(-c2n[nH]c(S[C@@H]3CCCCC3=O)n2)cc1 5180273 SCCXYBJKGCAPFF-CQSZACIVSA-N 301.415 3.638 0 40 DHAB Cc1ccc(N2C(=O)[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)cc1 5541459 WZTQWILGFCKYHD-PMACEKPBSA-N 320.436 3.795 0 40 DHAB CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 7915742 COMHELYMFVSENX-UHFFFAOYSA-N 307.353 3.523 0 40 DHAB Nc1c(-c2ccco2)cnc2c(-c3ccc(Cl)cc3)cnn12 8730750 TURBMYCTPJAXLJ-UHFFFAOYSA-N 310.744 3.892 0 40 DHAB Cc1cccc(C(=O)NCCSCc2ccccc2F)c1 10280455 WNUNCQREARRKAR-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1cc(F)cc(F)c1 10340847 RDQHKROYCXDGLX-KRWDZBQOSA-N 316.351 3.740 0 40 DHAB CCOc1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1 12359691 ATXCDNHUGWLCFY-UHFFFAOYSA-N 321.417 3.864 0 40 DHAB OCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 12377781 AIFXCTORQHHYBV-UHFFFAOYSA-N 300.789 3.663 0 40 DHAB O=c1c2[nH]c3ccc(F)cc3c2ncn1CCC1=CCCCC1 13635063 JRVBRPRMYUZBCS-UHFFFAOYSA-N 311.360 3.907 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(Cl)cc1 13649246 BBZZUCZDLLAAMX-INIZCTEOSA-N 308.853 3.724 0 40 DHAB Cc1onc(-c2ccccc2Cl)c1[C@H](O)NCc1ccco1 16249563 ZTPFXTZWGLGSQC-INIZCTEOSA-N 318.760 3.677 0 40 DHAB CCCCn1nc(C)c2c(C(=O)OC)cc(-c3ccco3)nc21 17052391 OKVRGUJUGRUQKS-UHFFFAOYSA-N 313.357 3.586 0 40 DHAB O=C(CCC1CCCC1)N1C[C@@H]2CCCCN(CC3CC3)[C@@H]2C1 19014624 ALVAWQVSSDPCKW-RBUKOAKNSA-N 318.505 3.680 0 40 DHAB COc1cccc(Cn2c([C@H]3CCCNC3)cc3cccnc32)c1 19565727 UQVXEDOCGSTDLK-KRWDZBQOSA-N 321.424 3.560 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(C)=O)c1 19931389 CASDBOQWGSWSOG-QGZVFWFLSA-N 315.344 3.824 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)Cc1cc(C)ccc1C 20111362 QKVVJIVMHIXNTL-LJQANCHMSA-N 316.489 3.617 0 40 DHAB COc1ccc(CSCC(=O)NC(C(C)C)C(C)C)cc1 20237812 IFDMNDYWWSLCEY-UHFFFAOYSA-N 309.475 3.725 0 40 DHAB CN(C)CCNCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 20548454 SJTZTKSEPKJZMN-RTBURBONSA-N 318.505 3.517 0 40 DHAB COc1ccc(C(=O)O)cc1OCc1ccc(F)cc1Cl 20556265 HNNXLNKIGHJEIR-UHFFFAOYSA-N 310.708 3.765 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)cc1 21622953 QYDQKHKBTNIGSF-SFHVURJKSA-N 321.380 3.549 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H]1c1ccccc1 21890369 PZZJWKAUKIQAOG-DUVHGLKDSA-N 313.422 3.824 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)cc12 22685131 KHIXPWZUJFHJDJ-RISCZKNCSA-N 301.390 3.655 0 40 DHAB CCOc1ncccc1C(=O)NC1CCC(c2ccccc2)CC1 25097708 QRRDBYBQRMRHOI-UHFFFAOYSA-N 324.424 3.937 0 40 DHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]1c1ccncc1 27276202 LVTYVHSTVQRKGA-IBGZPJMESA-N 317.392 3.850 0 40 DHAB CCc1noc(-c2cccc(NC(=O)c3cccc(OC)c3)c2)n1 33012799 WBQAUMUBLOVVPK-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB CCC(=O)Nc1cc(Cl)c(N)c(Br)c1Cl 45891461 URMCIRVPRUYEMN-UHFFFAOYSA-N 311.994 3.687 0 40 DHAB Cc1ccc(CNC(=O)CCc2cccc(Cl)c2Cl)cn1 49194956 RDBAVFBACKENLT-UHFFFAOYSA-N 323.223 3.946 0 40 DHAB Fc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)c(Cl)c1 57326772 RQEFQOKSQCFORZ-UHFFFAOYSA-N 314.707 3.868 0 40 DHAB O=C(Nc1ccc(Cc2ccncc2)cc1)OCC(F)(F)F 58444247 NBICNOQXRGTTFA-UHFFFAOYSA-N 310.275 3.783 0 40 DHAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc[nH]1 61198733 XLTSIBGWKQVRMT-UHFFFAOYSA-N 312.350 3.548 0 40 DHAB Cc1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1 65185342 JFRBEHPLPVZGFK-UHFFFAOYSA-N 318.336 3.686 0 40 DHAB CC(C)(C)c1nc(CN2CCC(c3cn[nH]c3)CC2)cs1 65606048 YEGPIHUYVKYJKF-UHFFFAOYSA-N 304.463 3.543 0 40 DHAB C[C@H](NC(=O)COc1cccc2cccnc12)c1ccc(F)cc1 69052234 AIILZUHZSFLZLJ-ZDUSSCGKSA-N 324.355 3.630 0 40 DHAB CC(C)[C@@H](C)NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 69451486 YEWBVTXGBLFFNM-GFCCVEGCSA-N 315.373 3.698 0 40 DHAB CS[C@H](C)C(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 69586607 YVTWTLKZHNPGQW-WBMJQRKESA-N 318.417 3.520 0 40 DHAB COc1cc(OC)cc(C(=O)NCc2ccc3ccccc3c2)c1 71861487 SHAHWEIWAVMLAJ-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB O=C(NCC1CCCCC1)Nc1ccccc1N1CCCC1=O 71901800 CUQOKCWCAFCHMV-UHFFFAOYSA-N 315.417 3.515 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 72214603 QSXLYMLOWRXWQI-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB COc1cccc(C(=O)Nc2sc(C)c(C)c2C)c1OC 72306416 QVJKJCIKJUKZLW-UHFFFAOYSA-N 305.399 3.943 0 40 DHAB Cc1ncccc1Oc1nccnc1C1CCN(C(C)C)CC1 72383512 JOEGMWORKJBMNC-UHFFFAOYSA-N 312.417 3.560 0 40 DHAB CCSc1ccccc1C(=O)NCC[C@H](O)c1cccs1 77113848 PLBNWKFBVCVURY-ZDUSSCGKSA-N 321.467 3.714 0 40 DHAB O=C(Cc1cccnc1)N[C@H]1CCc2c1ccc(Cl)c2Cl 79093471 MDXJOIJQHHCXQT-AWEZNQCLSA-N 321.207 3.735 0 40 DHAB Cc1ncc(Cl)c(C(=O)N2C[C@H](C)Sc3ccccc32)n1 84290506 KLOGGQXLDSLBJF-VIFPVBQESA-N 319.817 3.579 0 40 DHAB Cc1cccc([C@@H]2CCCN2Cc2c[nH]nc2-c2cccnc2)n1 93453551 GRTDNISWSSGINS-SFHVURJKSA-N 319.412 3.512 0 40 DHAB CC(C)(C)OC(=O)N1CCC(Oc2nc3ccccc3o2)CC1 95083583 NYHNZCNTRAKXGO-UHFFFAOYSA-N 318.373 3.606 0 40 DHAB O=C(NCc1cccc2ccccc12)c1cnc2ccccc2n1 95349407 KQKJZPPOEGZUKY-UHFFFAOYSA-N 313.360 3.713 0 40 DHAB C[S@@](=O)Cc1cccc(NCc2ccc(Cl)c(F)c2)c1 95429168 NIWSOTCESFCUKW-FQEVSTJZSA-N 311.809 3.970 0 40 DHAB O=C(CNc1cccnc1-c1ccco1)Nc1ccc(F)cc1 95460352 UYMGEHJWWRQLFY-UHFFFAOYSA-N 311.316 3.531 0 40 DHAB O=C(c1nc(-c2ccccc2)cs1)N(CC(F)F)C1CC1 96409880 BDFNBTLQUZDPSZ-UHFFFAOYSA-N 308.353 3.680 0 40 DHAB CC(C)Sc1ccccc1NCc1cccc(C(N)=O)c1 96472205 GVHRCVLQISXCNR-UHFFFAOYSA-N 300.427 3.898 0 40 DHAB Cc1cc(C(=O)CC2C(=O)CC(C)(C)CC2=O)ccc1Cl 100936075 LEJHJEBFKCGCLA-UHFFFAOYSA-N 306.789 3.796 0 40 DHAB OC[C@H]1CC[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 101693212 GMMCFLBYXLATLO-BFYDXBDKSA-N 301.430 3.574 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(C)c1 113959757 HHXFTBAGWMZRRF-MRXNPFEDSA-N 301.361 3.608 0 40 DHAB C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCOC2(CCCC2)C1 136493681 QWIORALZDTZFSP-RDJZCZTQSA-N 303.446 3.795 0 40 DHAB CCCCOC(=O)C(=Cc1ccccc1)C(=O)OCCCC 146253260 PUXMGRWRNPUWCR-UHFFFAOYSA-N 304.386 3.757 0 40 DHAB Cc1ccc(CNC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1 222610100 RFVFUGGHQFUDGE-UHFFFAOYSA-N 321.355 3.521 0 40 DHAB COC(=O)c1cn(C(=O)Cc2ccc(C)cc2C)c2ccccc12 222645609 PCEFMPFBEHATQG-UHFFFAOYSA-N 321.376 3.928 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)NCCSC1CCCC1 222944477 BBCMZGMSTYMRSZ-CQSZACIVSA-N 321.486 3.808 0 40 DHAB CCOc1ccccc1CCCNC(=O)c1cccc(F)c1 224957769 NWDLEZMNLRMJRY-UHFFFAOYSA-N 301.361 3.587 0 40 DHAB CCCCC[C@](C)(OCC)C(=O)Nc1cnc(OC)c(C)c1 225897832 LJILQJGZKZJBHH-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251221239 MZOINQQNPFQCNL-ONIAQPFYSA-N 301.430 3.766 0 40 DHAB CC(=O)O[C@@H]1[C@H](c2ccccc2)CC[C@H](c2ccccc2)[C@H]1O 253388398 RRGRXDIGPVAQIW-IYWMVGAKSA-N 310.393 3.640 0 40 DHAB biogenic,in-vitro CCCc1occc1C(=O)Nc1[nH]nc(C)c1-c1ccncc1 253394964 CUKTULVPPWBMJN-UHFFFAOYSA-N 310.357 3.578 0 40 DHAB COc1ccccc1-c1nnc(SC(=O)c2ccccc2)o1 408619152 GHQFVARHRKCLFZ-UHFFFAOYSA-N 312.350 3.678 0 40 DHAB C[C@H](NC(=O)C1CCC(=O)CC1)c1ccc(-c2cccnc2)cc1 531335907 HSSWQBVUQDDVCE-AWEZNQCLSA-N 322.408 3.685 0 40 DHAB COc1cccc(CN2[C@H]3CC[C@H]2CC(n2cc(C)cn2)C3)c1 1889108851 PLDSUVVHHDQELP-IRXDYDNUSA-N 311.429 3.568 0 40 DHAB Fc1ccccc1[C@@H]1C[C@@H](c2cccs2)Nc2ncnn21 221827 IBZIVOPVAKSJKU-STQMWFEESA-N 300.362 3.625 0 40 DHAB COc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1 384981 HHRDXWUMKGAVBF-UHFFFAOYSA-N 308.366 3.528 0 40 DHAB COc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1 524122 ILOWTOBIXUUION-UHFFFAOYSA-N 314.395 3.590 0 40 DHAB COc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C 1385896 LTVKLRHBVSLSPX-UHFFFAOYSA-N 307.353 3.956 0 40 DHAB COCCSc1ccccc1C(=O)N[C@H](C)c1ccccc1 2153581 IOHUCXQHHLEKAN-CQSZACIVSA-N 315.438 3.916 0 40 DHAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 3501459 ROYPOXRJIJDZHD-MQQKCMAXSA-N 314.168 3.607 0 40 DHAB O=C(O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 4201461 DJLLLMSAYZZMJB-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB COc1cccc(-c2ccc(SCc3cccnc3)nn2)c1 4271873 COLXRFGDAIIYJS-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB O=C1N/C(=C/c2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 4472386 DVRQHDMZGGJXNO-RIYZIHGNSA-N 316.719 3.576 0 40 DHAB CC1=C[C@@H](C)[C@@H](C(=O)OCC(C)C)[C@@H](C(=O)OCC(C)C)C1 4803890 HTQRIGKYTISTRY-OWCLPIDISA-N 310.434 3.603 0 40 DHAB Cn1c(SCc2coc(-c3cccs3)n2)nnc1C1CC1 4945775 ZNKSGSXCXVNMOB-UHFFFAOYSA-N 318.427 3.701 0 40 DHAB O=C(NC[C@@H]1CCCO1)/C(=C/c1cccs1)c1ccccc1 5771951 IMSNATLFYGIVGM-YSKWHIJTSA-N 313.422 3.584 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 5793387 NOQHWZHKPRNRBK-UHFFFAOYSA-N 316.788 3.732 0 40 DHAB C[C@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)OC1=O 6268398 XKRMXHJZTCMZBQ-IWEWGSSTSA-N 320.473 3.932 0 40 DHAB CC(C)[C@@H](NC(=O)CCc1ccco1)c1nc2ccccc2[nH]1 6657738 JLXVYPJNRQMBCO-QGZVFWFLSA-N 311.385 3.602 0 40 DHAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 6845207 CPRPMZJQRGUVOV-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB COc1cc(C(=O)O)cc(Cl)c1OCc1ccc(F)cc1 7603902 JIMAXPHQGJEZEG-UHFFFAOYSA-N 310.708 3.765 0 40 DHAB O=C(/C=C/c1ccccc1)N1CCc2[nH]c3ccccc3c2C1 9899753 SVWLNCIAOMSREH-ZHACJKMWSA-N 302.377 3.766 0 40 DHAB biogenic O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)cc(F)c1 12820590 GVYIPGAHYOVSDJ-NEPJUHHUSA-N 307.262 3.816 0 40 DHAB COc1cccc(C(=O)Nc2ccc([C@@]3(C)CC=NO3)cc2)c1 12854884 JCRPEVQPUANURY-GOSISDBHSA-N 310.353 3.569 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3)no2)cc1 13495467 IURXLHJVURHKBG-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB Fc1ccc(NC(=S)NCCCc2ccccc2)c(F)c1 13817346 QJBXKWYJTUGGNT-UHFFFAOYSA-N 306.381 3.884 0 40 DHAB Cc1cc(O)cc(C2CCN(Cc3ccc(F)cc3)CC2)n1 19570415 SHAGEPCJBKKSQB-UHFFFAOYSA-N 300.377 3.614 0 40 DHAB COc1c(C)cccc1C(=O)Nc1cc(C(=O)O)ccc1Cl 20143004 KMDPIQSFPYVJHF-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB Cc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1C 20467837 MLELUMCKALSFJZ-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(Br)cc2)SC1 20732063 HUIOHVMHWALDNK-LLVKDONJSA-N 324.203 3.596 0 40 DHAB c1ccc(CN2CC[C@@H](NCc3c[nH]c4ccccc34)C2)cc1 22777630 QPMHVFROEIFKCB-GOSISDBHSA-N 305.425 3.532 0 40 DHAB Cc1ccc(-c2noc(CN3CCc4sccc4C3)n2)cc1 24060411 XATIBTNFIBGBOI-UHFFFAOYSA-N 311.410 3.665 0 40 DHAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(OC(F)F)cc1 24833960 AGKTVSPRJHLNKM-SNVBAGLBSA-N 309.287 3.918 0 40 DHAB CCSc1ccccc1C(=O)NCCOc1ccccc1 25645694 HZGAYBHTRNVENA-UHFFFAOYSA-N 301.411 3.607 0 40 DHAB COCc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 30996220 VZCDCVCWNNLQKN-UHFFFAOYSA-N 307.393 3.763 0 40 DHAB CCn1ncc(CNC(=O)c2cc(SC)ccc2Cl)c1C 32610432 NIGMWJWFWQPIDF-UHFFFAOYSA-N 323.849 3.517 0 40 DHAB CCOc1cccc2cc([C@@H](C)Nc3nccc(OC)n3)oc12 32808460 JNIMUKWDCRDMBJ-LLVKDONJSA-N 313.357 3.803 0 40 DHAB O=C(NCCc1cccs1)c1c2c(nc3ccccc13)CCC2 32988822 BSWAWBWQFLSWPG-UHFFFAOYSA-N 322.433 3.758 0 40 DHAB CCc1ccccc1N1C(=O)C[C@H](Nc2cccc(C)c2C)C1=O 36635540 XZICPRNDUHWUGV-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB O=C(COc1cccc(Cl)c1)N[C@@H](c1ccccc1)C1CC1 36638326 RYWJMQLLAAMYIA-SFHVURJKSA-N 315.800 3.986 0 40 DHAB O=C(Nc1c(F)cccc1F)N1CC[C@@H](c2ccccc2)C1 38567345 HATGOTWAHIICLN-CYBMUJFWSA-N 302.324 3.986 0 40 DHAB CCCCNC(=O)N1CCCC[C@@H]1c1nc([C@H](C)CC)no1 41122866 HHFMHNLSBBFEFO-CHWSQXEVSA-N 308.426 3.620 0 40 DHAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc(F)c1 42672756 GNASLIIBYRFSMO-JTQLQIEISA-N 300.358 3.926 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)Nc1cccc2cnccc12 43160878 GYTGNYHMZYIPCS-UHFFFAOYSA-N 307.353 3.604 0 40 DHAB O=C(c1cccc(C2OCCO2)c1)c1ccc(Cl)c(F)c1 43212562 BXSDFIJIDONTKP-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB Cn1ccnc1[C@H](NCc1cc(F)ccc1F)c1ccccc1 48710487 JBHMLENYWMARKK-QGZVFWFLSA-N 313.351 3.578 0 40 DHAB O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccn1 53565818 XTUIJMITCJYBCX-UHFFFAOYSA-N 318.376 3.826 0 40 DHAB CCc1c(C)nc2scc(-c3ccc(Cl)cc3)n2c1=O 55104371 CCIAZWPXQPGRSB-UHFFFAOYSA-N 304.802 3.947 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)nc1Cl 60098486 RUBSMAIUYFDUCO-VIFPVBQESA-N 307.180 3.980 0 40 DHAB CN(Cc1ccccn1)C(=O)c1ccc2nc(Cl)ccc2c1 67843680 FOJFXEVQODVZIT-UHFFFAOYSA-N 311.772 3.555 0 40 DHAB C[C@H](CC(=O)NCCc1coc(-c2ccc(F)cc2)n1)C1CC1 71185246 OSMLLESXBYTKOO-GFCCVEGCSA-N 316.376 3.576 0 40 DHAB CC[C@H](C)c1nnc(C2(c3ccccc3OC)CCOCC2)o1 71889951 OARNZICXCMPBHM-ZDUSSCGKSA-N 316.401 3.688 0 40 DHAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nc2ccccc2o1 75132279 DJFNFNUHIMNNOS-OAHLLOKOSA-N 310.401 3.515 0 40 DHAB O=C([C@H]1SCCc2sccc21)N1CC[C@@H](c2ccco2)C1 95403539 BQVLJUDQVWDOPC-ABAIWWIYSA-N 319.451 3.688 0 40 DHAB CSc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccn1 95452240 CROYRJXMQAMTBO-KBPBESRZSA-N 302.374 3.685 0 40 DHAB COc1cccc(F)c1C(=O)c1ccccc1OC(F)(F)F 95917417 GYMOYCGAAMBHCY-UHFFFAOYSA-N 314.234 3.964 0 40 DHAB O=C(CCCc1ccccn1)Nc1ccc(F)cc1NC1CC1 96469113 KGIORKPTMBHODJ-UHFFFAOYSA-N 313.376 3.756 0 40 DHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc3cccnc13)CC2=O 100749069 VJMCVXHADRXLPU-WOJBJXKFSA-N 322.408 3.959 0 40 DHAB S=C(N[C@@H]1CCSc2ccccc21)N[C@@H]1C[C@H]2CC[C@H]1C2 102359405 WPVCUNQECNSURB-DDHJSBNISA-N 318.511 3.876 0 40 DHAB COc1ccc([C@@H](C)C(=O)N2CCCc3ccc(F)cc32)cc1 107452009 GMIRBCAGXZRUNI-CYBMUJFWSA-N 313.372 3.917 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2c3ccnn3[C@@H](C)C[C@@H]2C)s1 110572965 FLFGIWXPCNBYRE-VTPLQMEGSA-N 315.442 3.743 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccccc1 138833405 YCXXBBMFJWTDQP-AWEZNQCLSA-N 300.427 3.749 0 40 DHAB Cc1cc(OCC(=O)Nc2ccccc2C)c2ccccc2n1 192192731 OPMRKJNYEDSRRH-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB COc1ccc(CC(=O)NCc2ccccc2Cl)cc1C 223675537 NZXHCLDWAPBGEF-UHFFFAOYSA-N 303.789 3.516 0 40 DHAB CCN(CCNC(=O)c1cc(C)ccc1C)c1ccc(C)cc1 225054050 ZXCQQZYPHCUHCP-UHFFFAOYSA-N 310.441 3.868 0 40 DHAB CCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1Cl 225127061 AZHSUNJLEMZNBA-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB CC(C)NC(=O)c1ccc(Nc2ccccc2Cl)c(N)c1 225423054 JXZDNIIHBBEVCI-UHFFFAOYSA-N 303.793 3.804 0 40 DHAB S=C(NCCCOC1CCCC1)Nc1ccc(Cl)cc1 225619052 URHTUFZDAJHVBF-UHFFFAOYSA-N 312.866 3.976 0 40 DHAB O=C(NCc1ccnc(-c2cccnc2)c1)c1ccc(Cl)cc1 225639401 DLHDDVSNIVPLQY-UHFFFAOYSA-N 323.783 3.727 0 40 DHAB Oc1cccc([C@@H]2C[C@H]2c2nc(-c3ccc4c(c3)CCO4)no2)c1 571419957 IGKMMIWRLYGWFO-JKSUJKDBSA-N 320.348 3.648 0 40 DHAB c1ccc2nc(N3CCC(Oc4nccs4)CC3)ccc2c1 2086889561 UBOSTFREAGBQGJ-UHFFFAOYSA-N 311.410 3.739 0 40 DHAB O=C(/C=C/c1coc2ccccc2c1=O)Nc1ccc(F)cc1 150073 FGSUNQSFQGNJAM-BJMVGYQFSA-N 309.296 3.584 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C 183951 ARHZHRUTGKCDRK-OBNKQFAMSA-N 315.457 3.651 0 40 DHAB biogenic COc1ccc2nc(SCC(=O)OC(C)C)c(C)cc2c1 418062 TYFLSHOPGLBQJA-UHFFFAOYSA-N 305.399 3.596 0 40 DHAB Cc1ccccc1NC(=S)NC(=O)c1cc2ccccc2o1 570211 WGSVNQQLGWQNNQ-UHFFFAOYSA-N 310.378 3.868 0 40 DHAB CCN(CCNc1cc(OC)cc2cccnc12)CC(C)C 1656145 QXUKFRVMICWVQJ-UHFFFAOYSA-N 301.434 3.633 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(F)c(F)c1F 2645848 HKYRDCNRWDKMFZ-UHFFFAOYSA-N 304.271 3.766 0 40 DHAB O=C(OCc1nc2ccccc2s1)c1ccc(F)cc1F 3241314 GNYWUSBZPNHUKL-UHFFFAOYSA-N 305.305 3.932 0 40 DHAB C[S@](=O)c1ccccc1COC(=O)Nc1ccc(Cl)cc1 3841503 NKFDUVNXXBDRBW-OAQYLSRUSA-N 323.801 3.826 0 40 DHAB CC(C)N(C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)C(C)C 5442044 YGXKWCVOKQHWRC-NRFBVMONSA-N 323.521 3.699 0 40 DHAB Cc1ccc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2)cc1 5546250 JTHZYSCEWYXKHQ-INIZCTEOSA-N 304.349 3.540 0 40 DHAB COc1ccc(/C=C/[C@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 5639894 GDNSQQLLCBYQEJ-IKGZYHIYSA-N 315.457 3.581 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1 5981019 HTNKJHFZLVXDDT-YWPYICTPSA-N 323.820 3.580 0 40 DHAB Cc1cccc(CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 7004562 AEOLFYUEIQGKSV-LIRRHRJNSA-N 314.429 3.632 0 40 DHAB CCCNCc1cc(Br)c(OCC)c(OCC)c1 7262302 TVWKGQKIRIFLII-UHFFFAOYSA-N 316.239 3.746 0 40 DHAB COc1ccc(OC)c(COC(=O)c2c[nH]c3ccccc23)c1 7545693 KSZNHPRSUDITFX-UHFFFAOYSA-N 311.337 3.542 0 40 DHAB O=C1CCCN1c1ccc(Oc2ncnc3sccc23)cc1 8327088 BJWQOVLVESRBJB-UHFFFAOYSA-N 311.366 3.610 0 40 DHAB CCCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)O)o2)c1 8729567 GTSXOOHDDWCQFD-VQHVLOKHSA-N 300.310 3.611 0 40 DHAB COc1cc(Cl)c(NC(=O)c2ccccc2OC)cc1OC 8750364 UDFMUDZKRNWPFJ-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB COC(=O)C(C)(C)CC(=O)c1ccc(-c2ccc(N)cc2)cc1 8764188 QQIBWNNOJLMPER-UHFFFAOYSA-N 311.381 3.708 0 40 DHAB CCSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 8997726 WLEZRUDFABHGJG-SNVBAGLBSA-N 315.439 3.794 0 40 DHAB COc1cc(Cl)c(NC(=O)/C=C/c2ccco2)cc1OC 10584802 ZNMSKWQTJJZXHP-AATRIKPKSA-N 307.733 3.602 0 40 DHAB C[C@@H]1Oc2nc3ccccc3cc2CN(Cc2cccs2)C1=O 12115576 PKDBCDKMHRSKHG-LBPRGKRZSA-N 324.405 3.606 0 40 DHAB Cc1cc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)on1 12422445 NLTCFVAHMANZCE-UHFFFAOYSA-N 301.371 3.968 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 12602997 XEOMICOVVIMKBQ-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB CC(C)n1ncc2cc(C(=O)N3c4ccccc4C[C@H]3C)cnc21 12778181 UUHFRCZTZWXLGU-CYBMUJFWSA-N 320.396 3.604 0 40 DHAB Cc1cc(C)c(OCC(=O)N[C@H]2CCc3ccccc32)c(C)c1 12854155 XHNUEXWMYPQZCI-SFHVURJKSA-N 309.409 3.794 0 40 DHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(F)cc(F)c1 12915380 HBTMUDONYBWYLD-SNVBAGLBSA-N 322.380 3.584 0 40 DHAB C/C=C/CC[C@@H]1Cc2cc(O)c(CCCC)c(O)c2C(=O)O1 13380370 RNIKQZXKWIZFHL-MASHWEEQSA-N 304.386 3.878 0 40 DHAB biogenic,in-vitro CCN(CC)Cc1ccc(CNC(=O)c2ccc(C)cc2)cc1 14198946 BXYJVLKEANOYQX-UHFFFAOYSA-N 310.441 3.767 0 40 DHAB Cc1c(C(=O)N2CCCCCC2)oc2c1[C@H](O)CC(C)(C)C2 16740243 HSWUQIYGJIOMMQ-CYBMUJFWSA-N 305.418 3.610 0 40 DHAB Cc1ccc(-c2cc(=O)n3nc(C)c(-c4ccccc4)c3[nH]2)cc1 18222289 XQPRYBKWZYXDRE-UHFFFAOYSA-N 315.376 3.973 0 40 DHAB CC(C)C(=O)N1CCCCC[C@@H]1c1cc(C(F)(F)F)nn1C 19085703 MAWQUNNYRUEZKN-LLVKDONJSA-N 317.355 3.539 0 40 DHAB CC(C)(C)C(=O)Nc1ccccc1-c1nc(-c2cccnc2)no1 22462988 JHOMOVLRQWSWOB-UHFFFAOYSA-N 322.368 3.783 0 40 DHAB CC(=O)c1cccc(NCC(=O)N2c3ccccc3CC[C@H]2C)c1 22694998 IHVXUKNKQCGLJL-CQSZACIVSA-N 322.408 3.669 0 40 DHAB C[C@@H](NC(=O)CSCc1ccccc1F)c1ccccc1 24064854 NDJFDHADUXXMNN-CYBMUJFWSA-N 303.402 3.936 0 40 DHAB COCCCNC(=O)C[C@H](c1ccc(OC(C)C)cc1)C(C)C 26961955 XGJHWWMAUCJICE-SFHVURJKSA-N 321.461 3.756 0 40 DHAB Cc1ccc(Cn2cc(NC(=O)c3sccc3C)cn2)cc1 27920059 BOYGOBJJYYYJEW-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB O=C(CSc1ccccc1)Nc1cnn(Cc2ccccc2)c1 28220276 MPQPZGIFJZQBFC-UHFFFAOYSA-N 323.421 3.662 0 40 DHAB CCOCc1ccccc1CNC(=O)c1ccc(F)cc1Cl 30179319 SDAPCLYVANVTLS-UHFFFAOYSA-N 321.779 3.946 0 40 DHAB Cn1c(NC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 32220069 YTYCYGBYAVKYQV-UHFFFAOYSA-N 309.413 3.728 0 40 DHAB Cc1ccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1 32644272 OAHBKUBBSVZRGV-UHFFFAOYSA-N 309.369 3.531 0 40 DHAB COc1cccc(CN(C)Cc2cccc3cccnc23)c1OC 32901295 QDGFDSRTWRZKPD-UHFFFAOYSA-N 322.408 3.884 0 40 DHAB CN1CCN(C(=O)CCCc2ccccc2)[C@@H](c2ccccc2)C1 40121033 DAFPCTYTXMEHRZ-HXUWFJFHSA-N 322.452 3.525 0 40 DHAB CCCCC[C@@H](C)NC(=O)c1sc(-c2ncccn2)nc1C 40146501 DLWXEWBQSHFGDM-LLVKDONJSA-N 318.446 3.607 0 40 DHAB CC(C)C[C@@H](C)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 40497971 PDHWBCHSNLNQMO-GFCCVEGCSA-N 321.446 3.624 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1F 40526077 XWSPOJIDYJJOCK-SNVBAGLBSA-N 304.287 3.940 0 40 DHAB CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 41123666 VWJJONLBRBCKMS-YPMHNXCESA-N 317.389 3.504 0 40 DHAB O=C(NOCc1ccccc1)N1CCC[C@H]1c1cccs1 50096812 OFTVKSAFJFNQHK-AWEZNQCLSA-N 302.399 3.726 0 40 DHAB CC(C)(C)c1nsc(NC(=O)c2c(F)cccc2Cl)n1 68074133 PKNMICNUWVKHFJ-UHFFFAOYSA-N 313.785 3.880 0 40 DHAB O=[S@](Cc1ccccc1)Cc1coc(-c2cccs2)n1 69484255 YHLXVSCZRCUOPS-FQEVSTJZSA-N 303.408 3.852 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2F)c1 71326070 USVQEKLONIAUOB-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CCOC(OCC)c1cc2cnccc2n1C(=O)OC(C)(C)C 72206951 LIYAEAVMSQDRCA-UHFFFAOYSA-N 320.389 3.891 0 40 DHAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccco1)CCO3 72392462 KCGLSJYHBAFLSP-UHFFFAOYSA-N 308.381 3.839 0 40 DHAB OC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](C(F)(F)F)SC1 79490273 ZKMXQPVZNRJUGP-VIFPVBQESA-N 321.324 3.642 0 40 DHAB COc1cccc(-c2nsc(C(=O)c3ccc(C)cc3)n2)c1 80345964 ZZKRUOCMQDPXQG-UHFFFAOYSA-N 310.378 3.753 0 40 DHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]1c1ccco1 84796812 JOTVWNDYCVQIAW-RYUDHWBXSA-N 318.760 3.634 0 40 DHAB CCn1ccnc1CNCc1ccc(C)cc1OC(C)(C)C 84958726 VHMHZEDXAZXSEE-UHFFFAOYSA-N 301.434 3.679 0 40 DHAB CCn1c(CSC2=N[C@@H](C)CS2)nc2c(F)cccc21 89305349 NTRBCJOKUCOIFR-VIFPVBQESA-N 309.435 3.920 0 40 DHAB Cc1cccc(N2CCN(CCOc3cc(C)ccc3C)CC2)c1 89672767 OYWPRXIFXGEQAF-UHFFFAOYSA-N 324.468 3.813 0 40 DHAB CC(=O)Nc1ccc(C)cc1OCc1nc2cc(F)ccc2o1 95411461 BICJIHLLMIJULO-UHFFFAOYSA-N 314.316 3.813 0 40 DHAB COc1ccc(CN[C@H](C)c2c(Cl)nc3sccn23)cc1 95427011 NXMKKFOSXQBLEJ-SNVBAGLBSA-N 321.833 3.909 0 40 DHAB Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(O)cc1 95431710 OKJDFBFLMGDHNB-LSDHHAIUSA-N 301.411 3.524 0 40 DHAB OC1=Nc2ncn(-c3ccccc3)c2[C@@H](c2cccnc2)SC1 95476713 HCUXNRNWXWXDAU-MRXNPFEDSA-N 322.393 3.692 0 40 DHAB CSC[C@@H]1CCN(Cc2ccc(F)c(Br)c2)C1 95960793 IUXIYJSVSAAZRJ-LLVKDONJSA-N 318.255 3.773 0 40 DHAB CS[C@@H]1CCC[C@H](N[C@@H](Cc2ccncc2)C(F)(F)F)C1 95968142 LRSNBORFYNYHHL-MJBXVCDLSA-N 318.408 3.819 0 40 DHAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(C)C1CCCCC1 96503321 NXMLAWBHPGZTNY-ZDUSSCGKSA-N 320.481 3.982 0 40 DHAB CC[C@H](N[C@H](C)c1nnc(C)o1)c1ccc(Br)cc1 97033003 ZQZJYIWZZZBWAS-RNCFNFMXSA-N 324.222 3.942 0 40 DHAB CC(C)c1ccc(S(=O)(=O)Oc2ccc(Cl)nc2)cc1 98175415 TWOKTJZKNWPHJM-UHFFFAOYSA-N 311.790 3.626 0 40 DHAB C[C@H](CSC(C)(C)C)N[C@H]1CCO[C@@]2(CCSC2)C1 108372351 XNPBLQRQYDQCNS-IPYPFGDCSA-N 303.537 3.551 0 40 DHAB C[C@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12 118932136 VFQOKWWMUFPWLL-FRUBAPOZSA-N 306.490 3.997 0 40 DHAB Cc1ncc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)n1 182481650 QTURVMGXAFXCCS-UHFFFAOYSA-N 324.409 3.778 0 40 DHAB Cc1c(CO)c2ccccc2n1C(=O)Cc1ccc(Cl)cc1 216952416 HGXAFNSHBKNHSD-UHFFFAOYSA-N 313.784 3.978 0 40 DHAB CN(Cc1ccccc1)C(=O)COc1cccc2c1CCCC2 222664138 UYFFGVCFUBAWQT-UHFFFAOYSA-N 309.409 3.603 0 40 DHAB COc1ccc(O[C@@H](Cc2cccc3ccccc23)C(=O)O)cc1 225048995 DWBURSGSNCZWAP-IBGZPJMESA-N 322.360 3.923 0 40 DHAB CCc1cc(N)ccc1NC(=O)c1ccccc1Br 226318031 VNTIYTZLRDFBEF-UHFFFAOYSA-N 319.202 3.846 0 40 DHAB CC1(C)CC(=O)[C@H]2C(c3cc(Cl)cc(Cl)c3)=NN[C@@H]2C1 228930451 AFVOKJASULFNCN-YPMHNXCESA-N 311.212 3.675 0 40 DHAB O=C(O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 247352712 CLXDJBAJUMQHKI-QGZVFWFLSA-N 321.376 3.828 0 40 DHAB C[C@H](NC(=O)CCCc1nccs1)C(C)(C)c1ccccc1 252485623 HAOJISNTJIVAAV-AWEZNQCLSA-N 316.470 3.948 0 40 DHAB CC[C@H]1C[C@@H](Cc2nc(COc3ccccc3F)no2)CCO1 252507469 WMNIBLFOTYPBFB-STQMWFEESA-N 320.364 3.535 0 40 DHAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccsc3)C2)cn1 257340195 ZEZORLOUQDSVIX-HNNXBMFYSA-N 300.427 3.546 0 40 DHAB OC[C@H](NCc1sccc1Cl)c1c(F)cccc1F 330032440 NAXHWKGFZRRXJB-NSHDSACASA-N 303.761 3.503 0 40 DHAB O=C(O)c1cc(C(F)(F)F)cc(Br)c1Cl 575679387 WVKCPGGGOJZREJ-UHFFFAOYSA-N 303.461 3.820 0 40 DHAB Oc1cccnc1CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 585084367 JGPVCNLCQWZCDV-CYBMUJFWSA-N 322.330 3.796 0 40 DHAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(CC)n1 585265965 VQGDYIGJKXMXSA-UHFFFAOYSA-N 315.369 3.807 0 40 DHAB Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1C 618257542 XSJJWJJDNRDXLY-IRXDYDNUSA-N 317.454 3.709 0 40 DHAB FC(F)(F)Oc1cccc(-n2cnc(Br)c2)c1 952959279 XUEXYYMYLBFXKL-UHFFFAOYSA-N 307.069 3.533 0 40 DHAB C[C@H]1CN(c2ncnc3sc4c(c23)CCCCC4)C[C@H](C)O1 89262 JDNUFBBLJXJDNS-RYUDHWBXSA-N 317.458 3.574 0 40 DHAB CCCN(CCC)C[C@@H](O)c1cnc(-c2ccccc2)nc1C 1593989 FFTSSWMLROJZSY-GOSISDBHSA-N 313.445 3.607 0 40 DHAB Cc1ccc(/C=C(\c2ccccc2)[C@@H](CC(=O)O)C(=O)O)cc1 1621319 ZRVAPWLEIGHBCB-ABPVARSCSA-N 310.349 3.711 0 40 DHAB Cn1nc(-c2ccc(Br)s2)cc1C(F)(F)F 2381178 CWMFRUPCHXXCOD-UHFFFAOYSA-N 311.126 3.930 0 40 DHAB Cc1ccccc1N1C(=O)S[C@@H](Nc2ccc(F)cc2)C1=O 2407757 YVWFLVJXCIAEDQ-CQSZACIVSA-N 316.357 3.772 0 40 DHAB CC(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2F)cc1 3343410 GBNAKGGQSXXOTA-UHFFFAOYSA-N 320.751 3.732 0 40 DHAB CCc1cccc(C)c1NC(=O)CNc1cccc(C(C)=O)c1 3405670 UCIOANQFRIOLJK-UHFFFAOYSA-N 310.397 3.811 0 40 DHAB COc1cc(NC(=O)CC(C)(C)C)ccc1N1CCCCC1=O 5441449 UJYMIOMOMPEILN-UHFFFAOYSA-N 318.417 3.587 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Cl)cc1 5510833 VHNREVVMXZZVBH-GFCCVEGCSA-N 319.788 3.605 0 40 DHAB Cc1ccc(NC(=S)N(C)Cc2ccc(Cl)nc2)cc1 6276001 GMWBOSLGPZOUQC-UHFFFAOYSA-N 305.834 3.872 0 40 DHAB CC(C)C[C@H]1NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 6509979 BIYDVNKGMYLJKD-GOSISDBHSA-N 322.408 3.820 0 40 DHAB CC(=O)c1ccc(OCc2nc(-c3ccccc3C)no2)cc1 6880941 CRFCZBAQTHYKRD-UHFFFAOYSA-N 308.337 3.827 0 40 DHAB CSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C(C)(C)C)CC3 8738175 PJLNKCNSUWGDRY-MRVPVSSYSA-N 308.472 3.858 0 40 DHAB CC[C@@H](C)C(=O)Nc1nnc(CSc2ccccc2)s1 9196800 DBRMEXDNBNETAX-SNVBAGLBSA-N 307.444 3.815 0 40 DHAB Cc1ccc(-c2nnc3ccc(Nc4ccccc4)nn23)cc1 9306311 NMLIGLXSYRSGFX-UHFFFAOYSA-N 301.353 3.843 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 9367387 TWCMYQIIFFNSAX-SKDRFNHKSA-N 315.373 3.796 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)on1 9389147 BFQPPHTUFITJLS-UHFFFAOYSA-N 304.655 3.908 0 40 DHAB CCc1cc2c(SCC(=O)c3ccc[nH]3)ncnc2s1 9504042 ZBQQYDWDEQJUHR-UHFFFAOYSA-N 303.412 3.557 0 40 DHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1O 11679707 OJBYCJPSHIGCJN-UHFFFAOYSA-N 308.337 3.619 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCC2 11916572 XFMIYEWXPPKZRD-UHFFFAOYSA-N 320.392 3.554 0 40 DHAB Cc1ccc(C)c(NC(=O)CCc2ccc3c(c2)OCCO3)c1 12795857 SHSXFQYLWRHGRV-UHFFFAOYSA-N 311.381 3.646 0 40 DHAB Cc1cccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)c1 13131383 LVWREOUVEGWRIV-IRXDYDNUSA-N 308.360 3.872 0 40 DHAB aggregator O=C(/C=C/c1ccc(F)cc1)Nc1cc(C(=O)O)ccc1Cl 13167688 LECLVSHVPVVFCJ-FPYGCLRLSA-N 319.719 3.829 0 40 DHAB C[C@@H]1CCC[C@@H](N2CCN(CCCc3ccccc3)CC2)C1 19900098 KOXWBYMAFNJUMY-UYAOXDASSA-N 300.490 3.816 0 40 DHAB CCOc1ccccc1CNC(=O)CCSc1ccccc1 20486805 YSURHHDOBMJNGM-UHFFFAOYSA-N 315.438 3.884 0 40 DHAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccccc2Cl)cc1 20491722 IVZSVYAWQYVPGQ-UHFFFAOYSA-N 323.845 3.610 0 40 DHAB Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3)n2)cc1 20888983 ZOKCBVBCNDDLNJ-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB CC(=O)c1ccc(NCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 24213027 LAKGZXAQLGFECP-OAHLLOKOSA-N 324.424 3.795 0 40 DHAB Cc1ccccc1CNC(=O)CSCc1ccccc1F 25217232 XQAWOHGLEUMPNU-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB Cc1cccc2sc(NC(=O)[C@H](C)OCC(F)(F)F)nc12 31688150 NSUCFOVZRMBONQ-QMMMGPOBSA-N 318.320 3.511 0 40 DHAB Cc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(C(C)C)c2n1 36615912 WXRXFTROOFZUGW-UHFFFAOYSA-N 319.359 3.967 0 40 DHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C[C@H](O)c1cccs1 36734351 XUVWJJQEZLOFGT-LRDDRELGSA-N 312.438 3.882 0 40 DHAB O=C(CSCc1ccccc1)NCC1(c2cccs2)CC1 38593007 RUEWXKXHNPWZCF-UHFFFAOYSA-N 317.479 3.829 0 40 DHAB Cc1cc2occ(CC(=O)Nc3cccnc3)c2cc1Cl 39892803 PPAZHZQZCNKCTN-UHFFFAOYSA-N 300.745 3.971 0 40 DHAB Cc1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)on1 40012261 HCJDXAYPRQHCLL-LLVKDONJSA-N 308.790 3.603 0 40 DHAB C[C@H](SCc1ccccc1)C(=O)NCCc1ccc(F)cc1 40033984 KSUZICYLQVUSHO-AWEZNQCLSA-N 317.429 3.806 0 40 DHAB CC(C)Nc1nc(C(=O)Nc2ccc3cc[nH]c3c2)cs1 40286378 OUOOGJWWURIKFL-UHFFFAOYSA-N 300.387 3.697 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)c(OC)c1 40473837 UJESKAGWSGNCBV-WMLDXEAASA-N 315.413 3.724 0 40 DHAB CC(=O)Nc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 40525412 VAGGMURXHQFMDP-UHFFFAOYSA-N 317.776 3.620 0 40 DHAB Cc1ccc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cn1 41896424 DGRHFXGOAAUQCN-SJCJKPOMSA-N 310.397 3.911 0 40 DHAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(F)cc1F 42090550 GMTXKMSCPQLZDQ-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1 47375179 IWDQNFMVABJMMA-UHFFFAOYSA-N 311.385 3.777 0 40 DHAB Fc1ccc(F)c(CNCc2cn3cc(Cl)ccc3n2)c1 48710966 SSESPQXDZHQPHX-UHFFFAOYSA-N 307.731 3.556 0 40 DHAB CCC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 69628813 ZCBZEWAWZLLBFE-UHFFFAOYSA-N 319.408 3.625 0 40 DHAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)c(C)o1 71195620 CCGHUHDCAVEVIO-HNNXBMFYSA-N 315.417 3.655 0 40 DHAB CCN(C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72212724 MZDKQSKYOXWNJX-QGZVFWFLSA-N 309.413 3.515 0 40 DHAB Cc1ccc(OCC(=O)N2CCCC[C@@H]2c2nccs2)cc1 72272099 COAUNEVVHCAPGX-OAHLLOKOSA-N 316.426 3.584 0 40 DHAB CC[C@H](NC(=O)c1cccc(Cl)c1Cl)c1noc(C)n1 72309282 SBCIUINRTGFGKU-JTQLQIEISA-N 314.172 3.566 0 40 DHAB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 72451296 KADWSOBLVSEBHQ-UHFFFAOYSA-N 318.376 3.911 0 40 DHAB COc1ccc2oc(-c3cncc(Br)c3)nc2c1 73638648 SXPLCMJTIIYXBS-UHFFFAOYSA-N 305.131 3.661 0 40 DHAB COc1ccc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)cc1F 78556204 KAVLQGDDHVFIBV-WIUDPPPLSA-N 310.365 3.983 0 40 DHAB COc1cccc([C@H](C)CC(=O)N(C(C)C)C2CCOCC2)c1 84550765 ZSUGOBCFGSZCNA-OAHLLOKOSA-N 319.445 3.605 0 40 DHAB Cc1c(CNCc2ccc([S@](C)=O)cc2)oc2ccccc12 85324667 YKOBJQLIVVIQEV-JOCHJYFZSA-N 313.422 3.768 0 40 DHAB COc1ccc(C(=O)CN2CCC(c3cccs3)CC2)cc1 85473472 JTCFLVAFDUNWTP-UHFFFAOYSA-N 315.438 3.819 0 40 DHAB CCc1ccsc1CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 87464733 ARSXHJVSEFVAOL-CABCVRRESA-N 303.402 3.870 0 40 DHAB O=C(NNc1ccccc1)Nc1cccc(OC(F)(F)F)c1 89845701 RMSRLRSCDTZDBS-UHFFFAOYSA-N 311.263 3.734 0 40 DHAB COCc1ccccc1CN[C@@H](C)c1c(F)cccc1OC 95419651 CRUVFWCQZSLKSP-ZDUSSCGKSA-N 303.377 3.832 0 40 DHAB CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccccc1 95954140 GDDYNPQDWQEIBF-GOSISDBHSA-N 324.424 3.919 0 40 DHAB CCCCNC(=O)NCCc1c(C)[nH]c2c(C)ccc(C)c12 96182558 SWNKJRXSZSIWOD-UHFFFAOYSA-N 301.434 3.735 0 40 DHAB COc1cc(F)cc(NC(=O)NC[C@@H](C)c2nc(C)cs2)c1 97113392 OIJVFABYAVLGNU-SECBINFHSA-N 323.393 3.524 0 40 DHAB C[C@]12C=Cc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 100778903 JEKMKNDURXDJAD-WPHVRAEDSA-N 314.425 3.720 0 40 DHAB endogenous,in-man O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)[C@@H]1C[C@H]2C=C[C@H]1C2 102139178 WSELXBZFBBNEEL-SGMGOOAPSA-N 318.367 3.716 0 40 DHAB C[C@@H]1c2ccsc2CCN1C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 107327310 CDYQLXDRUQGLIE-UHXUPSOCSA-N 306.500 3.730 0 40 DHAB CSc1ncc(/C=C/C(=O)Nc2ccccc2Cl)cn1 107769030 SYAJCVVSSVLCQP-VOTSOKGWSA-N 305.790 3.504 0 40 DHAB CCC(=O)N(C)c1ccccc1C(=O)N(C)[C@@H](C)c1ccccc1 193027300 UQHVQLOMAKRFQK-HNNXBMFYSA-N 324.424 3.893 0 40 DHAB C[C@@H](NC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 193189752 QXZKVFUUDYLDIL-NXEZZACHSA-N 306.353 3.793 0 40 DHAB COC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 216891718 IQYXLMCRZJEFRM-VQHVLOKHSA-N 316.328 3.600 0 40 DHAB O=C(O)c1ccc(NC(=S)NC2CCCCC2)cc1Cl 216927475 WJEQLVYCNIYNAB-UHFFFAOYSA-N 312.822 3.657 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccccc1 223340570 VTFRBGYQZIXAGW-MRXNPFEDSA-N 323.436 3.991 0 40 DHAB Cc1nc(/C=C2/SCCN2C(=O)Cc2ccccc2)cs1 225259425 FJVNVKKBCSTGMQ-MHWRWJLKSA-N 316.451 3.568 0 40 DHAB CCCOC(C)(C)C(=O)Nc1ccc(OC)c2ccccc12 225838106 BNLGMBFOBGBPGU-UHFFFAOYSA-N 301.386 3.992 0 40 DHAB NC(=O)/C=C\c1ccc(OCc2cccc3ccccc23)cc1 409416242 PQOHQTXTIMBUHI-RAXLEYEMSA-N 303.361 3.917 0 40 DHAB C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2ncccn2)CC(C)(C)C1 585131407 VFOOAGXMRRWNOF-RBSFLKMASA-N 301.434 3.603 0 40 DHAB [O-][n+]1ccccc1SCc1ncc(C(F)(F)F)cc1Cl 160164 VNAAHECNBDKNBJ-UHFFFAOYSA-N 320.723 3.680 0 40 DHAB Cn1ccn(CCCCCCn2ccn(C)c2=S)c1=S 1872031 OGMDULSYTUVBNA-UHFFFAOYSA-N 310.492 3.686 0 40 DHAB CCOC(=O)c1cccc(C(=O)CCc2ccccc2OC)c1 2516451 ITOAAKWHRDFMTP-UHFFFAOYSA-N 312.365 3.687 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(C)c1C 3096075 ALZFYDPCRMEVIN-HNNXBMFYSA-N 304.434 3.575 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(C2CC2)s1 3210711 SCKKDLAGBBIJSM-FPYGCLRLSA-N 305.790 3.721 0 40 DHAB O=C(COc1ccccc1Cl)N[C@@H]1CCCc2ccccc21 3602860 OFRTUXYLDDNBBH-MRXNPFEDSA-N 315.800 3.913 0 40 DHAB CC(=O)N1[C@H](Nc2ccc(C)cc2)C[C@@H](C)N1c1ccccc1 4711193 LHCPUKJQHJDUFQ-BEFAXECRSA-N 309.413 3.795 0 40 DHAB COc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc12 6189870 HDQRJSWOLAQGIB-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB COc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 6329475 XHJOZHKUHNWZAN-CWSCBRNRSA-N 310.850 3.824 0 40 DHAB O=C(c1ccc(F)cc1)c1cnc2c(F)cc(F)cc2c1O 6732993 IZFNJGAVRDLQPI-UHFFFAOYSA-N 303.239 3.589 0 40 DHAB Cc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 8129980 RAHIPPVRVFZWEI-QMMMGPOBSA-N 303.412 3.691 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1cccc2cccnc12 8187281 JQPOLTXIYHKNKK-UHFFFAOYSA-N 303.321 3.557 0 40 DHAB CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1 8500254 NCZSZJSCZXJUNQ-OAHLLOKOSA-N 321.467 3.836 0 40 DHAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC(C)(C)C 8748009 JIJGHVSSZXIYDG-JTQLQIEISA-N 322.405 3.876 0 40 DHAB COc1ccc(CSCC(=O)NCc2cccc(C)c2)cc1 10447518 LVNXAZBKPLDJGB-UHFFFAOYSA-N 315.438 3.553 0 40 DHAB Cc1ccc(-c2csc(NC(=O)c3ccc(O)nc3)n2)s1 11513529 FTMFBBDETSJZOP-UHFFFAOYSA-N 317.395 3.533 0 40 DHAB O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1ccccc1 13086070 YOJLSBADDULQJS-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1 15357575 KTCTVISGQDHIGS-AWEZNQCLSA-N 301.361 3.526 0 40 DHAB Cc1ccc(CNC(=O)c2ccc(Br)cc2F)cc1 15431122 ZXPBKIAFDLRSES-UHFFFAOYSA-N 322.177 3.827 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(F)cc2F)c(OC)c1 17744991 JHWPWQQJCXHXCX-UHFFFAOYSA-N 308.284 3.626 0 40 DHAB O=c1cc(-c2ccccc2)[nH]c2ccc(Br)cc12 19721463 VJUYMVFNCPTYSH-UHFFFAOYSA-N 300.155 3.958 0 40 DHAB in-vitro c1ccc(CNC2=NN=C(c3c[nH]c4ccccc34)CS2)cc1 21264129 AJOSIJNLAGDFBJ-UHFFFAOYSA-N 320.421 3.765 0 40 DHAB COc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1OC 21836805 KDASTRCDVPULDW-GFCCVEGCSA-N 317.360 3.676 0 40 DHAB CC1CCN(Cc2ccc(C(=O)N3CCCCCC3)cc2)CC1 22526470 DSBOZTPQYHIACE-UHFFFAOYSA-N 314.473 3.935 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)NCc1ccccc1F 24836302 ZIOGJSYZVNQQSQ-AWEZNQCLSA-N 300.377 3.646 0 40 DHAB CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 27938108 VKUUOKHACALCKT-UHFFFAOYSA-N 317.698 3.828 0 40 DHAB CCc1sc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1C 32738341 BHQIMGGTVJHDPT-LLVKDONJSA-N 313.426 3.986 0 40 DHAB Cc1ccccc1CN(C)C(=O)N[C@H](C)CCc1ccco1 40067899 VKVBERHFFMJAGE-OAHLLOKOSA-N 300.402 3.751 0 40 DHAB Cc1ccccc1NC(=O)NC[C@H]1CCN(c2ccccc2)C1 43134719 NYZMMNZPRDPJHV-MRXNPFEDSA-N 309.413 3.643 0 40 DHAB CCOC(=O)c1cnc2ccc(CC)cc2c1Br 47913091 VEEDYFXPKFEKAY-UHFFFAOYSA-N 308.175 3.736 0 40 DHAB CCN(C(=O)NCc1ccccc1F)[C@@H](C)c1cccc(O)c1 50076694 WZVLKYAZTVDFPI-ZDUSSCGKSA-N 316.376 3.824 0 40 DHAB Fc1ccc(-c2cnc(SCc3noc(C4CC4)n3)[nH]2)cc1 52890486 HUEHCYKHANMSPN-UHFFFAOYSA-N 316.361 3.769 0 40 DHAB CC(C)(C)n1cc(C(=O)N2CCC[C@@H]2c2ccsc2)cn1 53271236 HBAIBEHLKVNEAF-CQSZACIVSA-N 303.431 3.677 0 40 DHAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1c1ccccn1 55514661 OLECUYCZSRZDBE-INIZCTEOSA-N 300.789 3.641 0 40 DHAB Cn1ccc2c(C(=O)NCC(C)(C)c3ccccc3)cccc21 58292558 VXODKTBJVANULF-UHFFFAOYSA-N 306.409 3.886 0 40 DHAB CC(C)[C@@H](C)NC(=O)Nc1cccc(OCc2cscn2)c1 58326716 FJFHLISXWUOASZ-GFCCVEGCSA-N 319.430 3.888 0 40 DHAB Cc1ccccc1NC1CCN(Cc2nnsc2Cl)CC1 65564539 HXXGOTNBDOWTEK-UHFFFAOYSA-N 322.865 3.576 0 40 DHAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC2CCCC2)c(C)c1 65585570 OGXZITRWMCVDSH-CYBMUJFWSA-N 317.433 3.587 0 40 DHAB CC(C)c1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1 68727083 WGWJFPNNGRKCLD-UHFFFAOYSA-N 320.396 3.858 0 40 DHAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)[C@H]1CCOC1 69359376 LRMRDCGUICAIHV-NSHDSACASA-N 318.760 3.502 0 40 DHAB CC(C)Oc1ncc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1Cl 73318862 CHASMCZQBRJYLR-TXEJJXNPSA-N 310.825 3.925 0 40 DHAB CSc1cc2c(cc1NCc1cnc(C)s1)OCCO2 76062057 CHJNLKBSDDPPTQ-UHFFFAOYSA-N 308.428 3.557 0 40 DHAB CCN(Cc1cccc(C)c1)[C@H]1CCN(c2ccccc2)C1=O 78642986 KIGGPXKUYLTTFL-IBGZPJMESA-N 308.425 3.622 0 40 DHAB COC[C@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccc(C)o1 84195180 UQJLSKRVHKUNGC-DOMZBBRYSA-N 320.389 3.546 0 40 DHAB Cc1ccc2c(CN(C)[C@@H](C)c3ccccn3)cc(=O)oc2c1C 89665824 WRJWLPFMUGAXHQ-HNNXBMFYSA-N 322.408 3.998 0 40 DHAB c1cc(OCc2ncc(-c3cccs3)o2)cc(-n2cncn2)c1 89780723 OBEVERCAKZNRJO-UHFFFAOYSA-N 324.365 3.563 0 40 DHAB Cc1nc(S[C@H](C)C(F)(F)F)n(C[C@H]2CCCO2)c1C 95427280 ORAPJXHLFRJGJT-GHMZBOCLSA-N 308.369 3.722 0 40 DHAB C[S@](=O)c1ccc(NCc2ccc(Cl)s2)cc1F 95429299 QBVWDUDMHVCZTD-GOSISDBHSA-N 303.811 3.890 0 40 DHAB CC[C@H](C)[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1Cl 95459376 JQTVAIJKYXKXIO-VHSXEESVSA-N 303.233 3.956 0 40 DHAB Fc1cccc(-c2nc(CN3CCC[C@@H]3c3ncc[nH]3)co2)c1 95459758 SEABHXFLSMAIJM-OAHLLOKOSA-N 312.348 3.541 0 40 DHAB Fc1cc(Br)ccc1N1CCN=C1c1ccccc1 95915717 JOBOOLIVTNWKGP-UHFFFAOYSA-N 319.177 3.855 0 40 DHAB C[C@H](NCc1cscn1)c1cc(Br)ccc1F 95967550 TWVNOLGKYPNHMK-QMMMGPOBSA-N 315.211 3.896 0 40 DHAB C[C@@H]1CN(Cc2cnoc2-c2ccc(Cl)s2)C[C@@H](C)O1 95972304 WRUXZCMXJFULLL-NXEZZACHSA-N 312.822 3.666 0 40 DHAB C[C@H](Nc1ccnc2cc(F)ccc12)c1nnc2ccccn12 96453384 AZGGBMAROJNJFU-NSHDSACASA-N 307.332 3.590 0 40 DHAB CC(C)OCCCNC(=O)CCc1ccc(Cl)c(Cl)c1 123868609 GEPXRQOLAASEIB-UHFFFAOYSA-N 318.244 3.857 0 40 DHAB COc1ccc([C@H](C)NCc2cccc(-c3nnc[nH]3)c2)cc1C 195558157 MIHPPDXVDXIBCM-AWEZNQCLSA-N 322.412 3.640 0 40 DHAB CC1CCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)CC1 222625786 LGEMJJGBKUIBQV-HNNXBMFYSA-N 301.430 3.591 0 40 DHAB Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc(Cl)cc1 224701090 CTCROKQCSSOMGW-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB CCOc1c(Br)cc(C(C)(C)C)cc1C(=O)O 225283637 CAOLFGRBGPYTQA-UHFFFAOYSA-N 301.180 3.844 0 40 DHAB c1ccc2c(c1)CCC[C@H]2c1noc(-c2cc3n(n2)CCCC3)n1 333882444 WPMZJPMYDAVHIS-MRXNPFEDSA-N 320.396 3.738 0 40 DHAB CN([C@@H]1C=CCCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 522209265 MNSYOXGMRFYXDZ-HFBAOOFYSA-N 312.240 3.992 0 40 DHAB COC(=O)CCCC(=O)c1ccc(SC(F)(F)F)cc1 575361132 RKQRYEWKKNVWSX-UHFFFAOYSA-N 306.305 3.825 0 40 DHAB CO[C@H](CNc1ncnc2ccc(Cl)cc12)c1ccco1 1775972859 ZBRWUWIKDUQDRG-CQSZACIVSA-N 303.749 3.676 0 40 DHAB Cc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 257628 SYTJPQAXEMKGMS-QGZVFWFLSA-N 314.385 3.801 0 40 DHAB Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)c1 277199 YUEYLEHINLFIMW-UHFFFAOYSA-N 313.353 3.981 0 40 DHAB CCOc1ccc2[nH]c3c(N4CCC[C@@H](C)C4)ncnc3c2c1 543369 VEZBCYVSGHDUJG-GFCCVEGCSA-N 310.401 3.746 0 40 DHAB COC(=O)c1cc2c(c3c1C[C@H](Cc1ccccc1)C3=O)CCC2 1646200 BGIWYCNHIMSKGG-HNNXBMFYSA-N 320.388 3.560 0 40 DHAB CC(C)OP(=O)(OC(C)C)[C@H](O)C(Cl)(Cl)Cl 2042345 HNUKMBJLNSBKON-ZETCQYMHSA-N 313.545 3.718 0 40 DHAB COCCCN(C(=O)Nc1ccccc1)[C@H](C)c1ccccn1 2117954 KYXJVMZPURCPEF-OAHLLOKOSA-N 313.401 3.713 0 40 DHAB O=C(CCC(=O)c1cccs1)Nc1nc2c(s1)CCCC2 3372459 UNRLGOAQMODBLX-UHFFFAOYSA-N 320.439 3.685 0 40 DHAB C[C@H]1CCCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1 3413706 RLKJQEZLORTTJE-HNNXBMFYSA-N 307.393 3.932 0 40 DHAB COc1ccccc1/C=C/C(=O)NCc1ccccc1Cl 3562349 OWBIFCPWPXBFTR-ZHACJKMWSA-N 301.773 3.678 0 40 DHAB Cc1ccc(CNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 4680815 CPYSFXSMDWDGRM-UHFFFAOYSA-N 310.397 3.520 0 40 DHAB Cc1ccccc1Cn1nc(-c2ccc(Cl)cc2)ccc1=O 5388520 RHKOUFVVISFEEV-UHFFFAOYSA-N 310.784 3.920 0 40 DHAB CCC/C=C(\CC)[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 5417246 DMZJJDDAKLEIIG-HARXRPJJSA-N 312.413 3.944 0 40 DHAB COc1c(Cl)ccc(Cl)c1C(=O)Nc1nccs1 5511969 FOLGWKFWBQGNDL-UHFFFAOYSA-N 303.170 3.711 0 40 DHAB CN1CCCN(c2nc(-c3cccs3)nc3ccccc23)CC1 6054023 MFDCRHJQWPESKR-UHFFFAOYSA-N 324.453 3.500 0 40 DHAB CC(=O)Nc1ccc(NCc2ccc(O)c3ncccc23)cc1 6563000 NRGRRDQGYXZXKI-UHFFFAOYSA-N 307.353 3.511 0 40 DHAB O=C(CSCc1ccc(F)cc1)Nc1ccc(F)cc1F 7146569 BFJSLMDXMPUEFF-UHFFFAOYSA-N 311.328 3.976 0 40 DHAB CCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1 7405632 NFXCWRJIABRCEN-UHFFFAOYSA-N 307.390 3.887 0 40 DHAB CCc1nnc2c(Nc3cc(C)ccc3O)nc3ccccc3n12 7504139 ZCPZFSPUWIWRBV-UHFFFAOYSA-N 319.368 3.598 0 40 DHAB COC(=O)[C@H](C)OC(=O)c1cc2sc3ccccc3c2s1 10596133 SSICIDMEOARPBO-QMMMGPOBSA-N 320.391 3.834 0 40 DHAB Cc1cc(-c2cnc(NCc3cccnc3)nc2C(C)C)on1 12089710 FMCGCOIXWQNXNK-UHFFFAOYSA-N 309.373 3.571 0 40 DHAB CCCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 12659964 BVBAULRKXUPBJA-DMXPTSQMSA-N 305.462 3.690 0 40 DHAB biogenic O=c1c2cc(OCc3ccccc3)ccc2nc2n1CCCCC2 12899784 HSXYUVFHQUVSMT-UHFFFAOYSA-N 320.392 3.702 0 40 DHAB biogenic S=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 13786495 IUHDMLABBDHZJY-UHFFFAOYSA-N 306.774 3.878 0 40 DHAB O=C(OCc1ccc(-n2cccn2)cc1)c1cc2ccccc2[nH]1 16666382 NPBHZPGPBCQLHF-UHFFFAOYSA-N 317.348 3.711 0 40 DHAB Cc1ccc(C)c(C(=O)CCC(=O)NCCc2cccs2)c1 21911783 WEFAVRAVDOFIRW-UHFFFAOYSA-N 315.438 3.687 0 40 DHAB CC(C)C(=O)CC(=O)Nc1ccccc1OCc1ccccc1 22051329 FHAIECLHTXTYOG-UHFFFAOYSA-N 311.381 3.819 0 40 DHAB in-vitro Cc1ccc(-c2cc(C(=O)O)nc3c2C(=O)CC(C)(C)C3)cc1 22606836 FHJOXNKWFIDTKB-UHFFFAOYSA-N 309.365 3.910 0 40 DHAB CCCc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)s1 27794647 HRXZLJQTDKOCAB-GFCCVEGCSA-N 319.430 3.513 0 40 DHAB CCn1c(SCc2csc(C)n2)nc2ccsc2c1=O 27823525 FVOHQOVZMLPZIH-UHFFFAOYSA-N 323.468 3.535 0 40 DHAB Cc1cc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c(C)o1 28220176 IZTMQQNSLADFEO-UHFFFAOYSA-N 315.760 3.988 0 40 DHAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccccc1F 32930550 YKFPXTAZCRSTRL-UHFFFAOYSA-N 322.339 3.943 0 40 DHAB Cc1ncc([C@H](O)c2ccc(Cl)cc2)c2c1OC(C)(C)OC2 34620501 SVZOJRDBMRXDLL-OAHLLOKOSA-N 319.788 3.770 0 40 DHAB in-vitro CCOC(=O)CCc1cc(Br)ccc1OC(F)F 36294310 RVRFEZCHTGNTFJ-UHFFFAOYSA-N 323.133 3.546 0 40 DHAB in-vitro O=C(NC1(c2ccccc2)CCC1)c1cc2ccccc2oc1=O 40015880 PVQSBWXYEQBBNJ-UHFFFAOYSA-N 319.360 3.602 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)NCCc1ccc(F)cc1 40092992 SHRAMEORUIYPDD-UHFFFAOYSA-N 306.406 3.687 0 40 DHAB COCCN(Cc1csc(-c2ccco2)n1)[C@H](C)C1CC1 40120812 UHTNUSWQLZCKPW-GFCCVEGCSA-N 306.431 3.650 0 40 DHAB O=C(c1ccc(C2OCCO2)cc1)c1cccc(C(F)(F)F)c1 43212669 ANHOREKQZUJQPM-UHFFFAOYSA-N 322.282 3.982 0 40 DHAB CN(Cc1ccco1)C(=O)Nc1nnc(C2CCCCC2)s1 43602164 HNKKGRKSVMQHIJ-UHFFFAOYSA-N 320.418 3.843 0 40 DHAB COc1cc(C(=O)Nc2ccc(Cn3cccn3)cc2)ccc1C 47176913 DRUVQIPNSYIKRG-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3C)n[nH]2)cc1 51315538 FGHRVMIQGUJCFI-UHFFFAOYSA-N 307.353 3.646 0 40 DHAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H]1C1CCCC1 56035247 JIXZATVKCKFNHQ-INIZCTEOSA-N 311.385 3.531 0 40 DHAB CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 58363472 RNXUPLZQYGEBLC-UHFFFAOYSA-N 309.196 3.937 0 40 DHAB O=C(CCc1ccccc1F)NCCOc1ccc(Cl)cc1 60676010 LTTWGFPSGMPDIF-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccccc2Br)c(N)c1 70462819 VZWHPPKARJABGY-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB O=C(CCc1ccc(F)cc1)NCc1coc(-c2ccccc2)n1 72295432 ZSKBGVAUYNVSJS-UHFFFAOYSA-N 324.355 3.730 0 40 DHAB Cc1csc([C@H](NC(=O)/C=C/c2cccs2)C2CC2)n1 72296770 JNBFTTIEPUBSMV-PSKZRQQASA-N 304.440 3.794 0 40 DHAB Cc1nc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)cs1 76108121 DOXMMUZVJAHWGG-SJORKVTESA-N 302.443 3.540 0 40 DHAB Cc1nnc([C@H](C)Nc2ccc(OCCc3ccccc3)nc2)o1 76859190 JZWBGOVVLBZRBK-ZDUSSCGKSA-N 324.384 3.568 0 40 DHAB O=C(C[C@@H]1CC(=O)Oc2ccccc21)Nc1ccc2[nH]ccc2c1 79190239 GRCRMOQZARKPQC-CYBMUJFWSA-N 320.348 3.589 0 40 DHAB biogenic CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2ccsc2)C1 89919324 QRHSULKBNDXXDQ-MRXNPFEDSA-N 324.446 3.724 0 40 DHAB CC(=O)N(C)c1ccc(NC(=O)NC/C=C/c2ccccc2)cc1 95396254 MSSFOKDVZJASQJ-RMKNXTFCSA-N 323.396 3.504 0 40 DHAB Cc1ccc(C[C@@H](C)NC(=O)N(C)[C@H](C)c2ccncc2)s1 96415588 OEFDHVXMDRNHFK-TZMCWYRMSA-N 317.458 3.785 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)NCC[S@@](=O)C(C)(C)C 96422080 CSKSLINUZPOILF-QFIPXVFZSA-N 324.490 3.653 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)CCCc1ccc(F)c(F)c1 96461700 ROXWPWZUYOQYLK-UHFFFAOYSA-N 319.351 3.652 0 40 DHAB C/C(=C\C(=O)NCCCN1CCc2ccccc2C1)C(C)(C)C 98056102 OTUODBKAETVYOR-JQIJEIRASA-N 314.473 3.543 0 40 DHAB C[C@H]1CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C2=C(O)C1 102602584 WIVMVBJXLBSOKH-VFZGTOFNSA-N 314.776 3.849 0 40 DHAB C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H]2CCCOC2)cs1 193744007 RFWNFMUGLMERKT-QWRGUYRKSA-N 312.435 3.623 0 40 DHAB CCc1ccc2[nH]c(C)c(CC(=O)NCCc3ccccc3)c2c1 199408214 VFYSAMRFJNHQCE-UHFFFAOYSA-N 320.436 3.940 0 40 DHAB Clc1cc2nn(-c3ccccc3)nc2cc1Br 216939647 BIDHLGWDXLJMHZ-UHFFFAOYSA-N 308.566 3.836 0 40 DHAB COc1cccc(C=O)c1OCCCCN1[C@@H](C)CCC[C@@H]1C 217792800 RACGSBWQCKZWDM-HOTGVXAUSA-N 319.445 3.930 0 40 DHAB COc1ccc(C(=O)NCCSC2CCCCC2)cc1C 224225178 GQVCWOOFLQGYQZ-UHFFFAOYSA-N 307.459 3.799 0 40 DHAB CCOc1ccccc1C[C@H](Sc1ccccc1)C(=O)O 225105447 ASLBVYJZXNUDLE-INIZCTEOSA-N 302.395 3.873 0 40 DHAB CCOC(=O)c1cc(N)ccc1Nc1ccc(OC)c(Cl)c1 225482754 SCPUIQWMTJPHFS-UHFFFAOYSA-N 320.776 3.851 0 40 DHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 225492677 UREZVRWBERFQRE-OAHLLOKOSA-N 313.397 3.509 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(C)c1 225579935 LWLLGEMVIBXQJX-QGZVFWFLSA-N 319.518 3.936 0 40 DHAB Cc1nccc([C@H]2CCCN2C(=O)c2ccc(F)c(Cl)c2)n1 257212469 CDNYXBRVYUDHHA-OAHLLOKOSA-N 319.767 3.555 0 40 DHAB C[C@H]1COc2ccccc2CN1C(=O)C1(C(F)F)CCCC1 585083673 BHMQQWIFWZSJLN-LBPRGKRZSA-N 309.356 3.622 0 40 DHAB CCc1cc(C(=O)Nc2nncs2)sc1-c1ccccc1 585152349 RYTHWARCOMFJRQ-UHFFFAOYSA-N 315.423 4.081 0 40 DHAB O=C(c1csc2c1CCCC2)N1CCC[C@@H](c2ccno2)C1 585273204 YLEHUSJCZCBTJD-GFCCVEGCSA-N 316.426 3.635 0 40 DHAB O=C(c1ccc(Cl)cc1)n1c(=S)nc2ccc(Cl)cn21 93958 VGXCRIHGBGHKHY-UHFFFAOYSA-N 324.192 3.861 0 40 DHAB O=c1c(Cl)c(Cl)cnn1Cc1c(Cl)cccc1Cl 153032 BLVZIWZCWVGXHW-UHFFFAOYSA-N 323.994 3.905 0 40 DHAB COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 354635 NSJCEBWUTMEBIZ-XNTDXEJSSA-N 313.740 3.693 0 40 DHAB c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 426449 CRKSOICWJFYCCX-UHFFFAOYSA-N 307.401 3.950 0 40 DHAB CCC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 1683556 YORHCBXZICATAP-UHFFFAOYSA-N 318.442 3.757 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 2209543 VMJMERUGGRPKCH-UHFFFAOYSA-N 316.788 3.732 0 40 DHAB O=C(COC(=O)C1CCCCC1)c1ccc(OC(F)F)cc1 3525419 BALQRXAINBHGHR-UHFFFAOYSA-N 312.312 3.594 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3cc(C)ccc3C)cc2c1 5248813 RUBMXZKGYONRSP-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB CCSc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 6048828 KGSQEVBPQNQQLU-UHFFFAOYSA-N 314.823 3.948 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 6119796 FOHAFFYGSYMCOQ-ZVQXUQNISA-N 313.441 3.929 0 40 DHAB CN(C)c1ccc(NC(=S)Nc2ccc3ncncc3c2)cc1 6570623 NPMSFEJZEWASBI-UHFFFAOYSA-N 323.425 3.505 0 40 DHAB C[C@H](NC(=O)CCc1nc2ccccc2s1)c1cccnc1 7180322 DWHRADSDWPOXSU-LBPRGKRZSA-N 311.410 3.501 0 40 DHAB Clc1ccc(Cl)c(Oc2nnnn2-c2ccccc2)c1 7466812 KMEJGVBHJGZOPP-UHFFFAOYSA-N 307.140 3.761 0 40 DHAB CC(C)N1CN(Cc2ccccc2)Cn2c1nc1ccccc12 7496203 PDOJYKJLJIIIDM-UHFFFAOYSA-N 306.413 3.682 0 40 DHAB C[C@@H]1Oc2ccc(NC(=O)CCC3CCCCC3)cc2NC1=O 8014287 QFBMBVSSOLQKOA-LBPRGKRZSA-N 316.401 3.705 0 40 DHAB O=C(NC(=S)NCc1ccccc1)c1ccc2ccccc2c1 9140798 PLSWSGRPIHJCOH-UHFFFAOYSA-N 320.417 3.644 0 40 DHAB Cc1nc2cc(NC(=O)CCn3ccc4ccccc43)ccc2[nH]1 10657215 RYPXLJMIGWLVOD-UHFFFAOYSA-N 318.380 3.855 0 40 DHAB COc1cc(OC)c(NC(=O)Cc2ccccc2C)cc1Cl 11601768 VMFWQFZAVUFLJR-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)CCC2 12364892 MVTHRLKXYYYWAU-LBPRGKRZSA-N 310.349 3.554 0 40 DHAB CC[C@@H](C)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 12770623 IAULLYFFGAYCJM-CYBMUJFWSA-N 312.417 3.656 0 40 DHAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc(OC)c1 19931448 FUKNLPRRRIHTAR-AWEZNQCLSA-N 313.397 3.972 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c(C)o1 25297769 SCUJGKXVAPDSGJ-JTQLQIEISA-N 309.312 3.989 0 40 DHAB Cc1noc2ncc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc12 30921876 VCJRMTFRFOSTHG-SECBINFHSA-N 315.760 3.676 0 40 DHAB Cc1cc(C)cc(NC(=O)C2(c3ccccc3)CCOCC2)c1 32656091 HJFZZVUQQIKCCO-UHFFFAOYSA-N 309.409 3.990 0 40 DHAB Nc1ccccc1-c1nc(-c2ccc(Br)cc2)no1 35659370 YBRJIKYNMQMYGX-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB Cc1ccc(C)c(NC(=O)c2ccc(Br)c(N)c2)c1 40293164 BPDDCHRMXMBOAE-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Cc1ccc(C)c(NC(=O)C2(c3ccccc3)CCOCC2)c1 41748399 XILMWZYWWPWQFB-UHFFFAOYSA-N 309.409 3.990 0 40 DHAB CCOc1ccccc1CNC(=O)[C@H](C)Sc1ccccc1 44900041 QLYWECXZKDFNCP-AWEZNQCLSA-N 315.438 3.882 0 40 DHAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc2ccccc2o1 45935690 NXNCAMPEMWCFSA-UHFFFAOYSA-N 317.348 3.930 0 40 DHAB CC(=O)c1cccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 45957025 RLXIAWGTESLYDP-CXAGYDPISA-N 318.417 3.606 0 40 DHAB CC[C@@H](C)NC(=O)Nc1cccc(COCc2ccco2)c1 47602476 VQPKMDCRGOTOKW-CYBMUJFWSA-N 302.374 3.916 0 40 DHAB O=C(/C=C/c1ccccn1)Nc1ncc(-c2ccccc2)s1 55321658 VOYRQKCJTYJVMG-MDZDMXLPSA-N 307.378 3.857 0 40 DHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(N)c1 57340355 JODPAQLZCGLPEU-UHFFFAOYSA-N 304.777 3.718 0 40 DHAB Cc1cc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C(C)C)no1 57383493 QTKQUOXQYQCFEA-INIZCTEOSA-N 321.808 3.562 0 40 DHAB C[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 58014603 OBVOSGMCSKWHTK-LBPRGKRZSA-N 309.344 3.707 0 40 DHAB Cc1cccc(-n2ccnc2SCc2ccc(C(=O)O)o2)c1 58157274 HGYFDAZMXXZQOL-UHFFFAOYSA-N 314.366 3.764 0 40 DHAB CCOc1cc(/C=C/C(=O)OC)ccc1OCc1ccccc1 62715413 QLIRTRDVQCSMTJ-ZRDIBKRKSA-N 312.365 3.851 0 40 DHAB C[C@H](OC1CCCC1)C(=O)N1CCCC[C@H]1c1nccs1 72285927 NOBMMSFYAUIWLE-JSGCOSHPSA-N 308.447 3.544 0 40 DHAB COc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 72331542 UQRQJCRCXNLASZ-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB Nc1ccc2c(c1)C=NCCN2C(=O)c1cccc2ccccc12 73642318 XSSVORRZQONALA-UHFFFAOYSA-N 315.376 3.501 0 40 DHAB O=C(NCC[C@H](O)c1ccccc1)c1cccc2ccccc12 85436433 PNDYUQDFAHTOGM-IBGZPJMESA-N 305.377 3.693 0 40 DHAB Cc1cc(Cl)c(C(=O)NC[C@H]2CCCc3ccccc32)cn1 89575539 OYHPOPIYNONTNB-CQSZACIVSA-N 314.816 3.893 0 40 DHAB CC(C)c1csc([C@H]2CCCN(C(=O)c3cccn3C)C2)n1 89893527 FFSGLFUWKGRAEM-ZDUSSCGKSA-N 317.458 3.625 0 40 DHAB O=C(c1ccccc1Cl)N1CCC(N[C@@H]2CC=CCC2)CC1 90036325 ZOAUPVQGLAECKL-CQSZACIVSA-N 318.848 3.643 0 40 DHAB Cc1ccc(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)o1 93566164 DFDVFBYMKLUHBA-UHFFFAOYSA-N 313.323 3.710 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2c3ccnn3[C@H](C)C[C@@H]2C)s1 95393852 FLFGIWXPCNBYRE-UNJBNNCHSA-N 315.442 3.743 0 40 DHAB CCC1=NO[C@@H](CN2CCC(Oc3ccc(C)c(C)c3)CC2)C1 95977350 LSHQQKJICJYOKE-LJQANCHMSA-N 316.445 3.702 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)N1CCc2ccccc2C1 96586640 OHDNCYXPQWGGCD-UHFFFAOYSA-N 321.420 3.529 0 40 DHAB C[C@H](N[C@H](C)c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C 102519740 FUQHGKVGEAGGGG-XHSDSOJGSA-N 308.425 3.704 0 40 DHAB COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C 103279601 SVZBRBQBMJLVMX-YHUYYLMFSA-N 318.461 3.827 0 40 DHAB C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2cccc(F)c2)C[C@H]1C 105601828 UOUSFOZEGXXNBT-XJKCOSOUSA-N 321.392 3.912 0 40 DHAB CS[C@@H]1CCC[C@@H]1N(C)Cc1nnc(-c2ccc(F)cc2)o1 107065452 XNEZBDIKGHCAEN-UONOGXRCSA-N 321.421 3.592 0 40 DHAB O=C(O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 110074924 FVVZGXRCVWIZPF-UHFFFAOYSA-N 321.311 3.629 0 40 DHAB O=C(O)c1cc(OCc2cccc(Cl)c2)cc(Cl)c1O 216932539 QTXLWQNJTXBLEV-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB CC(C)(O)C(C)(C)OB(O)/C(=C/c1ccccc1)c1ccccc1 220741427 LRDKUSCIRPQFNC-OBGWFSINSA-N 324.229 3.813 0 40 DHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)s1 222858826 WNKYFAUPMAKSKT-HUUCEWRRSA-N 317.483 3.834 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccccc2F)cc1Cl 224120698 LCWBWRGYIZLXHL-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB O=C(O)[C@@H]1C[C@@H](C(F)(F)F)CC2(C1)SCCCS2 225757948 SMMPSZKHQIZEAF-HTQZYQBOSA-N 300.367 3.616 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)c(C)n1 225913075 DRGAHVIPIIRQEJ-SFHVURJKSA-N 320.433 3.713 0 40 DHAB CC(C)N1CC[C@H](Cc2cccc(-c3ccnn3C(C)C)n2)C1 257325487 WTBYTXXITFTNES-MRXNPFEDSA-N 312.461 3.799 0 40 DHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260784183 VHXRIUUWGGOJDX-XOKHGSTOSA-N 309.438 3.979 0 40 DHAB O=C(NCc1nccnc1-c1cccs1)Nc1cccs1 575619222 BBCYXIWYVRYIMW-UHFFFAOYSA-N 316.411 3.588 0 40 DHAB CC(C)[C@H](C(=O)N1CC[C@@H](c2cccnc2)C1)c1ccccc1 583996052 GUKRSSIJYAWBDQ-MOPGFXCFSA-N 308.425 3.837 0 40 DHAB C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1cn2ccccc2n1 584479737 FHAGZBDITYUJDK-DOMZBBRYSA-N 311.360 3.648 0 40 DHAB O=C(O)[C@@H]1Cc2ccccc2N(C(=O)CCCC2CCCC2)C1 1601864910 BIKAZEFSEYZRGR-MRXNPFEDSA-N 315.413 3.637 0 40 DHAB O=C(NC1=Nc2cccc3cccc1c23)c1ccc(F)c(F)c1 84280 VDXTUXVJABWJAJ-UHFFFAOYSA-N 308.287 3.940 0 40 DHAB COC(=O)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 143932 KGWVSBKDUIDNDQ-UHFFFAOYSA-N 323.270 3.744 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1 145311 ZYVFJIXGZURECZ-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB COc1cc(OC)c(C(=O)Oc2cc(C)ccc2C)cc1OC 365239 AMBUGLVKZBHMEF-UHFFFAOYSA-N 316.353 3.548 0 40 DHAB Cc1nnc(SCc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 420996 XRGFNXPJOLIMCV-AWEZNQCLSA-N 323.849 3.711 0 40 DHAB CC1CCN(c2nc(-c3ccccn3)nc3ccccc23)CC1 532075 WTAIIOXYTJGHCY-UHFFFAOYSA-N 304.397 3.928 0 40 DHAB COc1ccc2[nH]c3c(N4C[C@@H](C)C[C@H](C)C4)ncnc3c2c1 554920 CJQVWANMGNGFPE-RYUDHWBXSA-N 310.401 3.602 0 40 DHAB CC(C)C(=O)c1cn(CC(=O)NC2CCCC2)c2ccccc12 560788 BMNIREOOAQMUOL-UHFFFAOYSA-N 312.413 3.539 0 40 DHAB CCN(CC)Cc1ccc(NC(=O)c2cccnc2Cl)cc1 568272 GNPPLYVLEFORJU-UHFFFAOYSA-N 317.820 3.829 0 40 DHAB Cc1cc(C)cc(NS(=O)(=O)c2cccc3cccnc23)c1 572684 GWOFPAFFKKXXDB-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB CCOC(=O)c1ccccc1C(=O)CCc1cccc(F)c1 2517325 HQQRJNARYUZQEG-UHFFFAOYSA-N 300.329 3.818 0 40 DHAB O=C(COc1cc(Cl)ccc1Cl)NCc1cccs1 2630416 RMOXLDGEIAYQTN-UHFFFAOYSA-N 316.209 3.750 0 40 DHAB CC(=O)N[C@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1 3014769 FSNZKZNYMJXONH-MRXNPFEDSA-N 319.813 3.777 0 40 DHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1 3234322 JBEJDUOWAMTYKK-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB O=C(COc1ccc2oc3ccccc3c2c1)NCC(F)(F)F 3446364 WAODQSXSILLTQA-UHFFFAOYSA-N 323.270 3.643 0 40 DHAB Cc1csc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)n1 3561943 PESUEAIIRVMTGX-UHFFFAOYSA-N 312.398 3.506 0 40 DHAB C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12 3831246 QSLJIVKCVHQPLV-QOJRLFKQSA-N 306.446 3.543 0 40 DHAB C[C@@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccccc1 3851711 WRTZIZLYEBYQAJ-YJBOKZPZSA-N 323.392 3.770 0 40 DHAB biogenic O=C(NCCc1csc(-c2ccccc2)n1)C1CCCC1 4166958 UBGGAYPDIOUPGK-UHFFFAOYSA-N 300.427 3.659 0 40 DHAB CC(=O)N1CCCc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 5373623 JOMFFMXMINZMAB-UHFFFAOYSA-N 322.408 3.855 0 40 DHAB Cc1ccc(NC(=O)CSc2nnc(C(C)C)o2)c(C)c1 6426089 UDEJFYYZYIJMFH-UHFFFAOYSA-N 305.403 3.541 0 40 DHAB CCc1ccc2c(CC(=O)NCc3ccc(OC)cc3)coc2c1 6648206 PASRNVHEMXTDHY-UHFFFAOYSA-N 323.392 3.863 0 40 DHAB CCOC(=O)c1sc(Cc2nc3ccccc3s2)nc1C 7274984 SVGPSLJTJMOHQS-UHFFFAOYSA-N 318.423 3.829 0 40 DHAB O=C(COC(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1 7986476 DTVTWTDBXOLZLL-UHFFFAOYSA-N 316.712 3.719 0 40 DHAB CSc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 8049657 YEDAPQKAOYGAQF-UHFFFAOYSA-N 309.394 3.847 0 40 DHAB CCc1noc(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 8074281 DVTNPSDGHMCRRR-UHFFFAOYSA-N 314.263 3.696 0 40 DHAB CCOC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12883736 XUBDVQYDZRABBQ-UHFFFAOYSA-N 314.366 3.545 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)o2)c1C 12921598 DHBADXUSWPHCNE-UHFFFAOYSA-N 306.749 3.842 0 40 DHAB C[C@H]1CCc2c(sc3ncnc(NCc4cccnc4)c23)C1 13136410 ZTMKXNAZAZYOOJ-NSHDSACASA-N 310.426 3.823 0 40 DHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(F)cc1 14242738 DYQHJLIPBQUEBM-AWEZNQCLSA-N 305.349 3.932 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1nc(-c2cccnc2)cs1 22066311 NILOXLYODCSATN-SCRDCRAPSA-N 313.426 3.970 0 40 DHAB COCCCC(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 27925067 AXFIZFCYNYQZDJ-UHFFFAOYSA-N 321.808 3.508 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2sc(C)nc2C)cc1 29103244 KBQJMMYBCDRGAK-UHFFFAOYSA-N 303.431 3.858 0 40 DHAB c1ccc(C(Nc2ncnc3n[nH]cc23)c2ccccc2)cc1 31809742 BUPNUHSCIZYPRA-UHFFFAOYSA-N 301.353 3.554 0 40 DHAB O=C(Cc1cccs1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32105899 CSFNQOWEPPAQDJ-UHFFFAOYSA-N 310.422 3.963 0 40 DHAB CCCOc1ccc(CNC(=O)c2cccc(C)c2)cc1OC 33632041 LPVQXJLWYIGVQP-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB C[C@@H]1[C@@H](OC[C@H](O)CSc2ccccn2)[C@@H]2CC[C@H]1C2(C)C 36597093 TWDXDPVWDPRXGY-KSXIZUIISA-N 321.486 3.622 0 40 DHAB COc1ccc(-c2csc(NC(=O)NC3CCCC3)n2)cc1 38549826 JVLYGEJTWPLESS-UHFFFAOYSA-N 317.414 3.883 0 40 DHAB CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1nncs1 40095163 UTVMIACWYKHHLK-UHFFFAOYSA-N 322.409 3.902 0 40 DHAB Cc1cccc(C(=O)Nc2cccc(OCCn3ccnc3)c2)c1 42707055 SHMMBWSHMKRTJY-UHFFFAOYSA-N 321.380 3.523 0 40 DHAB Cc1nc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)sc1C 42713037 KZCBGCAUTHSKGZ-UHFFFAOYSA-N 318.446 3.841 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NCc1ccccc1 42784238 MTFCVOVRLIBVAP-HOTGVXAUSA-N 304.434 3.612 0 40 DHAB Cc1nc(Cc2nc(-c3ccc(O)cc3O)cs2)cs1 44914435 XUKOPBJQKWGZQZ-UHFFFAOYSA-N 304.396 3.577 0 40 DHAB CN(Cc1ccncc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 45068995 LQBQWTKGDGMIKX-UHFFFAOYSA-N 319.408 3.714 0 40 DHAB O=C(Nc1cccc(-c2nnco2)c1)N1CC[C@H]1c1ccccc1 47836983 BAKKRQKTZJLLEO-INIZCTEOSA-N 320.352 3.716 0 40 DHAB COc1cc([C@H](C)NC(=O)C2CCC2)ccc1OC1CCCC1 48339871 LZJZORKDDBHKAI-ZDUSSCGKSA-N 317.429 3.994 0 40 DHAB Cc1noc([C@H](C)N2CCC(Oc3c(C)cccc3C)CC2)n1 51991633 YRIYRRQGXDZNOA-AWEZNQCLSA-N 315.417 3.599 0 40 DHAB O=C(CCc1cccc(OC2CCCC2)c1)NCc1ccccn1 67899677 LNTZKPVCXKYHCK-UHFFFAOYSA-N 324.424 3.652 0 40 DHAB CC1(C)CC[C@H](N[C@H](C(N)=O)c2ccccc2)c2ccccc21 69097121 OKLBIPYPDOARPN-ROUUACIJSA-N 308.425 3.615 0 40 DHAB CSc1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 71279463 ILEJNEAERJEWAL-LBPRGKRZSA-N 317.414 3.603 0 40 DHAB O=C(c1ccccc1)[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1 71775437 CNWKJIFYKGLTLI-OTWHNJEPSA-N 309.409 3.504 0 40 DHAB CC[C@H](NC(=O)N1CCC2(CCOCC2)C1)c1ccc(C)cc1 73496627 OTGPXKJMFXEBIF-KRWDZBQOSA-N 316.445 3.658 0 40 DHAB C[C@@H](CN1CCCCC1)OC(=O)C12CC3CC(CC(C3)C1)C2 80346544 XSTILHRJJFUTQB-ISOUWHGUSA-N 305.462 3.620 0 40 DHAB CN(C(=O)c1ccc([S@@](C)=O)cc1)C1CCCCCCC1 83855655 NBYNSQQWBSRGMW-NRFANRHFSA-N 307.459 3.609 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)NCc1csc2ccccc12 89522933 JNLQQKQEAKGKNE-UHFFFAOYSA-N 300.387 3.563 0 40 DHAB Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1-c1ncc[nH]1 89526260 WLMIFBOWUNCFPI-LLVKDONJSA-N 324.384 3.814 0 40 DHAB CN(Cc1nc(Cl)ccc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 96012992 FAXDSRUDOPEUIA-FZQKWOKYSA-N 315.244 3.634 0 40 DHAB CSc1nnc(-c2ccc(NC(=O)OC(C)(C)C)cc2)o1 96337237 BLSKFHGFCVZQGL-UHFFFAOYSA-N 307.375 3.806 0 40 DHAB O=C(CS[C@@H]1CCCc2ccccc21)NCc1cccnc1 96409776 WRAQQNPNNQYRDQ-QGZVFWFLSA-N 312.438 3.509 0 40 DHAB C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(Oc2ncccn2)cc1 96466363 KAMUVTIPNFEYKY-STQMWFEESA-N 312.373 3.674 0 40 DHAB CC(=O)Nc1ccc2nc(NCc3csc(C)n3)sc2c1 97045352 XTEHVZIIUAGGBE-UHFFFAOYSA-N 318.427 3.632 0 40 DHAB C[C@@]12C[C@H](NC(=S)N1CCc1ccccc1)c1ccccc1O2 101183318 IQDZSSFZPRHATQ-QFBILLFUSA-N 324.449 3.659 0 40 DHAB CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccsc1 105577186 HIKUSLVWRQFMIX-XJNFMUPTSA-N 320.502 3.683 0 40 DHAB C[C@H](Nc1cnn(CC(F)(F)F)c1)c1ncc(C(C)(C)C)o1 126240999 RZCQEZAYLNHHAB-VIFPVBQESA-N 316.327 3.904 0 40 DHAB COc1cc(NC(=O)N[C@H](C)c2cccnc2)ccc1Cl 194434496 OOSFGHIQQPJRTG-SNVBAGLBSA-N 305.765 3.626 0 40 DHAB COc1ccc([C@@H](C)NCc2cccc(-c3nnc[nH]3)c2)cc1C 195558155 MIHPPDXVDXIBCM-CQSZACIVSA-N 322.412 3.640 0 40 DHAB C[C@@H](c1cccnc1)N(C)Cc1cccc(-c2cnn(C)c2)c1 195561947 QHEFRYXQEQFSTI-HNNXBMFYSA-N 306.413 3.675 0 40 DHAB CCCC[C@H](CC)CNS(=O)(=O)Cc1cccc(Cl)c1 224173672 FSJIKRRNUNPIQM-ZDUSSCGKSA-N 317.882 3.976 0 40 DHAB COC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 225485593 BUKAFHHTGWOXQZ-UHFFFAOYSA-N 324.424 3.515 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCSC2CCCC2)cc1C 225813626 LPZOAETVOBXFTO-OAHLLOKOSA-N 321.486 3.863 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H](Cc3cccnc3)C2)s1 257311723 UKTKPHCGZHSVRP-OAHLLOKOSA-N 300.427 3.546 0 40 DHAB FC(F)(F)c1nnc(CN2CCC[C@H]2c2cccs2)s1 516929578 GROXOGDTEXSAQB-QMMMGPOBSA-N 319.377 3.956 0 40 DHAB C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(C(F)(F)F)nc1Cl 521394535 PJRCCRQYDWQHAA-LPEHRKFASA-N 322.758 3.829 0 40 DHAB CCc1ccc(CN2CCC(O)(Cc3ccc(C)cc3)CC2)cn1 585084564 YDPCFWRKCKWOSV-UHFFFAOYSA-N 324.468 3.522 0 40 DHAB COc1ccccc1CC(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001755 JSTDUZRORGMZPG-ROUUACIJSA-N 311.425 3.872 0 40 DHAB Clc1cnn(C2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 1888859521 JXVHPPNJTQHFRA-JWTNVVGKSA-N 315.848 3.947 0 40 DHAB c1ccc(-c2cccc(C3=N[C@@H]4c5ccccc5C[C@@H]4O3)n2)nc1 1987972963 VJSIMJSVSGCYRU-RBUKOAKNSA-N 313.360 3.586 0 40 DHAB Cc1ccsc1[C@H]1NC(=O)c2c(sc3c2CCCC3)N1 565703 TVEWWDBZDFOADQ-ZDUSSCGKSA-N 304.440 3.851 0 40 DHAB COCCCN(C(=O)Nc1ccccc1)[C@@H](C)c1ccccn1 2117951 KYXJVMZPURCPEF-HNNXBMFYSA-N 313.401 3.713 0 40 DHAB Cc1cccc(C)c1NC(=O)c1c(Cl)nc2sccn12 3235925 OTQOBCHWPFACAY-UHFFFAOYSA-N 305.790 3.918 0 40 DHAB CSc1nnc(SCc2nnc(-c3ccccc3)o2)s1 3552091 OZGDSXWDNYLYRC-UHFFFAOYSA-N 322.440 3.602 0 40 DHAB CCc1ccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)cc1 5000608 VNIUGZXHVRNGAL-UHFFFAOYSA-N 315.808 3.569 0 40 DHAB O=C(Sc1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1 5729196 HBERTLNIBHCIEL-UHFFFAOYSA-N 316.769 3.509 0 40 DHAB Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1Cl 5937999 NAVJQONHERVSGS-UHFFFAOYSA-N 309.196 3.548 0 40 DHAB Cc1c(C(=O)N[C@@H]2CCOc3ccccc32)oc2ccccc12 5938147 LEKGMOFCMTVMCR-OAHLLOKOSA-N 307.349 3.995 0 40 DHAB Cc1cc(C)c(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)c(C)c1 6008551 XSNHSRSRUZLJLL-KZNAEPCWSA-N 305.462 3.614 0 40 DHAB Cc1cccn2cc(CSc3nnc(-c4ccco4)o3)nc12 6371221 RQHQSPSAKRCXKB-UHFFFAOYSA-N 312.354 3.578 0 40 DHAB CCOC(=O)c1ccccc1OCc1nc2ccccc2nc1C 6892118 MXUBSOLVQFLTSW-UHFFFAOYSA-N 322.364 3.694 0 40 DHAB O=C(c1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503840 RMNJVGFZKMEMTF-OAHLLOKOSA-N 305.381 3.583 0 40 DHAB Cc1ccc(CCNCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 13998925 MNLMLNLNRMLCKU-UHFFFAOYSA-N 320.436 3.786 0 40 DHAB CCN(CC(=O)N[C@H](C)c1cccs1)Cc1cccc(F)c1 15368439 RPGHBNFAIKUANP-CYBMUJFWSA-N 320.433 3.587 0 40 DHAB CC(=O)O[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 17323385 GFPFWODQGPZXMQ-JAZQRGJZSA-N 314.425 3.980 0 40 DHAB biogenic CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)OCO3)c1 17360957 DJSQMSNWUIQTAX-UHFFFAOYSA-N 313.353 3.671 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CCc2cnn(-c3ccccc3)c2)o1 23306437 BBHKAVFUXPYPQT-OAHLLOKOSA-N 323.396 3.584 0 40 DHAB CC(C)CC(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28305108 MONSSVVGUYNMLW-UHFFFAOYSA-N 309.772 3.709 0 40 DHAB Cc1ccccc1NCCC(=O)NC12CC3CC(CC(C3)C1)C2 29958129 HHNPGMNUTQMFTL-UHFFFAOYSA-N 312.457 3.882 0 40 DHAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)/C=C/c1ccccc1 31076030 XGXNFFBCWRXVLK-CNELAYHGSA-N 319.451 3.668 0 40 DHAB Cc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1 34366969 MHBCGZAMNJKHMZ-UHFFFAOYSA-N 317.454 3.771 0 40 DHAB CC[C@@H](O)[C@H](O)/C=C\C/C=C\CCCCCCCCC(=O)O 36378895 IQWYIIPDFISFMV-ARWSHBQDSA-N 312.450 3.826 0 40 DHAB biogenic,in-vitro O=C(CSC1CCCC1)Nc1ccc(-c2cc[nH]n2)cc1 38489950 AFVYDOQQLJTEAJ-UHFFFAOYSA-N 301.415 3.691 0 40 DHAB CN(C)[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1 38673439 FLHVTJCDPBKREQ-AWEZNQCLSA-N 323.849 3.826 0 40 DHAB CN(C(=O)Nc1nnc(C2CC2)s1)[C@H]1CCc2ccccc21 43359760 LKKXKVHJKBKBIR-ZDUSSCGKSA-N 314.414 3.567 0 40 DHAB Cc1ccsc1CN(C)C(=O)N[C@@H]1CCc2ccccc21 45596719 YEIDMHWOOYXOKP-OAHLLOKOSA-N 300.427 3.885 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1 48253523 MDGKJQZJDHRKLJ-KBXCAEBGSA-N 308.381 3.724 0 40 DHAB CCCCN1C(=O)C(C)=C(C)[C@H]1N[C@@H](C)CCc1ccccc1 57381652 XSCSLSHNONYAPT-KXBFYZLASA-N 314.473 3.902 0 40 DHAB COc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccccn2)cc1 58226871 KTQUYAGYECCIGY-ZDUSSCGKSA-N 311.385 3.848 0 40 DHAB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(C)cc1C 59351589 JWZCNOUDVYZQMB-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB O=C(NC[C@H]1CCCOC1)c1ccccc1Nc1ccccc1 65516118 YKYSVAQXUJIEKX-OAHLLOKOSA-N 310.397 3.587 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1cccc2c1OCCO2 66772257 UGGVENYDMLNESC-MRXNPFEDSA-N 315.413 3.702 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2Cl)cc1 67086323 SNGDKLJRHITSNE-ZDUSSCGKSA-N 303.789 3.846 0 40 DHAB Cc1csc(-c2cccc(NC(=O)N3CCSCC3)c2)n1 69808899 UAWGXFIHPARXNM-UHFFFAOYSA-N 319.455 3.699 0 40 DHAB CCN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C)nn1 69845773 SNRGGRVCSPARBT-UHFFFAOYSA-N 324.211 3.687 0 40 DHAB Cc1ccc2nc(C)c(C(=O)NCc3ccccc3Cl)n2c1 71476860 NUCHOCHOLUXSIX-UHFFFAOYSA-N 313.788 3.535 0 40 DHAB CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215368 CYRMQZWQBXZVQE-OAHLLOKOSA-N 317.433 3.752 0 40 DHAB Cc1ccc(F)cc1NC(=O)c1cc(F)ccc1-n1ccnc1 72292847 UHSLTJVXDMVFBK-UHFFFAOYSA-N 313.307 3.711 0 40 DHAB CC(C)OC(=O)[C@H](C)CNC(=O)Nc1cccc2ccccc12 72303875 GDEYDVHDHXQDBV-CYBMUJFWSA-N 314.385 3.549 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccco1)N1CCCSCC1 78972339 POIPWUHXKXVOIH-INIZCTEOSA-N 316.426 3.518 0 40 DHAB CSc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)o1 78996555 RMSDLLWPPJLRPM-DOMZBBRYSA-N 317.410 3.604 0 40 DHAB Cc1ncc(CN(C)C(=O)NCc2cc3ccccc3o2)s1 80037994 QPSXFVUCBQPHIW-UHFFFAOYSA-N 315.398 3.539 0 40 DHAB C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1c1ccsc1 84968440 IOIVAENNOAAGFC-TZMCWYRMSA-N 318.467 3.987 0 40 DHAB Cc1nc(C[S@@](=O)Cc2cc(-c3ccccc3)no2)cs1 89712524 ZOUXMFDIDZQOCL-NRFANRHFSA-N 318.423 3.555 0 40 DHAB CC(C)C[C@@H](NCc1csc(C2CC2)n1)C(=O)OC(C)(C)C 95414167 ZZHYMTZOROGUGK-CQSZACIVSA-N 324.490 3.867 0 40 DHAB Cc1nn(-c2ccc(Cl)cc2)c2nnc(-c3ccccc3)nc12 96316683 WVMBLOKRXURCRS-UHFFFAOYSA-N 321.771 3.839 0 40 DHAB CO[C@@](C)(CNC(=O)c1ccccc1C)c1cccc(Cl)c1 96392330 CDNLLPJIIGIBIP-SFHVURJKSA-N 317.816 3.940 0 40 DHAB CC(=O)c1sc([C@@H](NC(=O)c2ccccc2)C2CC2)nc1C 96433588 RSKPGTNHJSQOHL-AWEZNQCLSA-N 314.410 3.535 0 40 DHAB C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccncc1 97370661 YJZFAKQIUVOWFZ-NSHDSACASA-N 315.323 3.866 0 40 DHAB Clc1ccccc1[C@H]1C=C(c2ccccc2)Nc2ncnn21 100817352 IFKOAKBIMFPUFV-MRXNPFEDSA-N 308.772 3.988 0 40 DHAB Cc1cc(C)c2c3c(c(=O)oc2c1)[C@@H](c1ccccc1)CC(=O)O3 104766133 UACRRECNPFUIHB-CQSZACIVSA-N 320.344 3.851 0 40 DHAB CC(=O)Oc1ccc([C@H](c2ccc(O)cc2)c2ccccn2)cc1 117803526 IGNJZSFTZVUILA-FQEVSTJZSA-N 319.360 3.893 0 40 DHAB in-vitro CC(C)(C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 155391470 XTPMUGYXDRYYNX-UHFFFAOYSA-N 304.434 3.536 0 40 DHAB COc1ccccc1/C=C/C(=O)NC(C)(C)Cc1ccccc1 222671025 DREZLPFBKRENAS-BUHFOSPRSA-N 309.409 3.846 0 40 DHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222903450 RQDFZZKVXRITIR-HOTGVXAUSA-N 315.442 3.612 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1Cl 224402301 BECIIZAUQGQJTI-LLVKDONJSA-N 319.788 3.848 0 40 DHAB CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224702567 SDMOFRDLJGNMJU-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1C 224866082 WBHVYOLTBKPXFT-KRWDZBQOSA-N 322.452 3.875 0 40 DHAB Cc1cc(C(=O)NCc2ccnc(-c3cccs3)c2)c(C)o1 225650045 SMWFMAZBTFMDPM-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB CCn1nc(C)c2nc(C(C)C)nc(NCCc3ccccc3)c21 226688513 HLXDFTDZNFIOIT-UHFFFAOYSA-N 323.444 3.933 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](CCc3ccccc3)[C@H]1[C@@H]2C 245380378 XWHWCKHMKQSYBV-FLFBIERCSA-N 300.442 3.845 0 40 DHAB Cc1nc(=NC(=O)c2cc(C)c(-c3ccccc3)s2)s[nH]1 526052415 LGEGVARFRHZDLC-UHFFFAOYSA-N 315.423 3.558 0 40 DHAB Fc1ccc(-c2nnn(-c3ccccc3)c2-n2cccc2)cc1 1889302855 MNGHACKNJNIAKH-UHFFFAOYSA-N 304.328 3.864 0 40 DHAB CN(Cc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 207786 INFVHZQTTPPRFA-UHFFFAOYSA-N 312.432 3.922 0 40 DHAB Clc1ccccc1-c1nnc2sc(-c3ccco3)nn12 527434 HEGNKHUTABGUJG-UHFFFAOYSA-N 302.746 3.766 0 40 DHAB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1C[C@H]1CCCO1 575024 CZQLFNZQVBFLMM-YCPFAOKUSA-N 322.408 3.777 0 40 DHAB CN(C)c1nc2ccccc2n2c(-c3ccc(Cl)cc3)nnc12 970444 INXGMHBKXQCNRK-UHFFFAOYSA-N 323.787 3.664 0 40 DHAB CCOC(=O)c1cc(CP(=O)(OCC)OCC)oc1C 1823892 RLAYAAHYUAADDB-UHFFFAOYSA-N 304.279 3.531 0 40 DHAB CCSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 2438091 WLEZRUDFABHGJG-JTQLQIEISA-N 315.439 3.794 0 40 DHAB CCCCCc1nnc(NC(=O)Cc2ccccc2F)s1 3557761 WGLCAUFFSZLHSW-UHFFFAOYSA-N 307.394 3.591 0 40 DHAB CCn1c(S)nnc1-c1cc2cc(Br)ccc2o1 4739042 RORFABJPHNOSBO-UHFFFAOYSA-N 324.203 3.762 0 40 DHAB Cc1ccc(C)c(Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 5399493 NTFJLDAOEXMZAI-UHFFFAOYSA-N 308.356 3.715 0 40 DHAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccnc2)n1 5910209 GOCFFZAAGAYLCY-UHFFFAOYSA-N 303.321 3.565 0 40 DHAB biogenic CN(C)c1ccc(NC(=S)Nc2cccc3cnncc23)cc1 6714221 RHNRVNOVEWPQTN-UHFFFAOYSA-N 323.425 3.505 0 40 DHAB CSc1ncc(Cl)c(C(=O)Oc2cc(C)cc(C)c2)n1 6810430 SYTVKCBDAPNBFU-UHFFFAOYSA-N 308.790 3.688 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 8496038 HKIJUPRYDJXSGC-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB COc1ccccc1CSCC(=O)Nc1ccc(F)cc1 9548944 MATOHAUKMIBXBA-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB CCn1c(NC(=O)Cc2cc(C)ccc2OC)nc2ccccc21 10543622 VGQGTNNHAYMVLF-UHFFFAOYSA-N 323.396 3.554 0 40 DHAB Cc1cnc(NC(=O)c2cc(F)ccc2Br)s1 10626107 YMZSNTSZUKZOPJ-UHFFFAOYSA-N 315.167 3.605 0 40 DHAB CCn1c(CN2CCn3cccc3[C@H]2C(C)C)cnc1SC 12143739 KJTSMMFBLHWJJJ-MRXNPFEDSA-N 318.490 3.639 0 40 DHAB Cc1cc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c2cc1C 12144810 VEGIVSLUWVBYHU-KRWDZBQOSA-N 320.396 3.552 0 40 DHAB COc1ccc(-n2cnnc2SCc2ccccc2C)cc1 12642169 MVKUEDRWJAEOSI-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB Cc1noc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)n1 12817605 QNHARWAEECLGLU-UHFFFAOYSA-N 319.364 3.786 0 40 DHAB CCCOc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 12859167 YPMCPYBZXFBFST-UHFFFAOYSA-N 302.399 3.673 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c(C)c1 12868924 XUYSJGDRFMNFJC-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB Fc1cccc(CSc2nnc3c(n2)[nH]c2ccccc23)c1 13685650 VANDHODXZYMZKE-UHFFFAOYSA-N 310.357 3.938 0 40 DHAB O=C(Cc1cccs1)NCC1(c2cccs2)CCCC1 13803119 CGMBNVCAYPWOOA-UHFFFAOYSA-N 305.468 3.980 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 14219026 UGBJUIYRBNPDQT-GFCCVEGCSA-N 323.845 3.942 0 40 DHAB COc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1 16972781 FESSLFCHRGAANQ-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C)cc1 17069731 MCOZEIBPAISWSF-UHFFFAOYSA-N 300.377 3.866 0 40 DHAB COc1cccc(CNC(=O)N[C@@H](C)c2ccccc2Cl)c1 17069944 ZAJJORPYCCTBOH-LBPRGKRZSA-N 318.804 3.909 0 40 DHAB CN1CCCN[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 19324405 SROPGFFLPSJEKT-HNNXBMFYSA-N 321.218 3.633 0 40 DHAB O=C(N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1cccnc1 19373847 VAILTAFIIXZDQZ-RDGPPVDQSA-N 306.409 3.784 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(N)c1C 19736268 AUTRNABKAZBNHS-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CCCCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610365 KMZBARCEVMPVMW-UHFFFAOYSA-N 312.348 3.688 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccc(C)o3)cc2)n1 21839885 CRSPNJYXECDDJD-HNNXBMFYSA-N 323.396 3.882 0 40 DHAB CCOC(=O)N1CCN[C@@H](c2ccccc2)[C@@H]1c1ccccc1 22115378 IHGUOBVQHSJQOW-ROUUACIJSA-N 310.397 3.531 0 40 DHAB Cc1ccc(CCC(=O)N[C@@H](C)c2cccnc2)cc1Cl 22693007 DXSZFTDCKHVLBT-ZDUSSCGKSA-N 302.805 3.853 0 40 DHAB Cc1ccc(OCCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 23077798 YONCOPPMCMWXFZ-CYBMUJFWSA-N 319.351 3.920 0 40 DHAB CN(Cc1ccccc1N1CCCC1)C(=O)NCc1ccccc1 25085300 UMYMBACFUALLPD-UHFFFAOYSA-N 323.440 3.628 0 40 DHAB C[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccccn1 25406107 VEXMZZBCLDJDLU-SNVBAGLBSA-N 308.353 3.887 0 40 DHAB Cc1cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)[nH]1 29301961 BODCNYWCERENNW-UHFFFAOYSA-N 321.302 3.883 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(C(C)(C)C)no1 32803596 PGSHTLRJNHJVMF-UHFFFAOYSA-N 321.808 3.900 0 40 DHAB O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)nc1 33028412 WYYLNJNPNODNJN-UHFFFAOYSA-N 313.788 3.510 0 40 DHAB CC(C)(C)c1ccc(-c2nc(-c3cc(N)cc(N)c3)n[nH]2)cc1 40169641 ASPZOHUTFWJJTL-UHFFFAOYSA-N 307.401 3.601 0 40 DHAB Cc1nc(/C=C/C(=O)Nc2nc(C(F)(F)F)cs2)cs1 47899880 BOBHUIQLSZBOGQ-NSCUHMNNSA-N 319.333 3.579 0 40 DHAB COC(=O)c1ccc(COc2ccccc2C(F)(F)F)o1 48314860 HUECVFLHZAFNHD-UHFFFAOYSA-N 300.232 3.664 0 40 DHAB CCOc1ccc(-c2nc(N)cc(Nc3ccccc3)n2)cc1 49468020 JNJRTDQIDRQIKI-UHFFFAOYSA-N 306.369 3.868 0 40 DHAB Fc1ccc([C@@H]2CCCN2Cc2nc(-c3cccnc3)no2)cc1 55528401 GEIGLZKIRHJTRI-INIZCTEOSA-N 324.359 3.608 0 40 DHAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C)cc1 58061120 VGJMUWNJMBXZQJ-BBRMVZONSA-N 305.418 3.507 0 40 DHAB CNC(=S)N1N=C(c2ccsc2)C[C@H]1c1ccc(F)cc1 58268771 RHAAGASRMUAYPS-AWEZNQCLSA-N 319.430 3.543 0 40 DHAB CCCc1noc([C@H](C)Sc2nnc(SCC)s2)n1 65563241 IMWHIKFTYOKKAL-ZETCQYMHSA-N 316.477 3.839 0 40 DHAB Cc1c(C[S@@](C)=O)cccc1NC(=O)CCC1CCCC1 71909699 OXGUUXKXOJQWJW-NRFANRHFSA-N 307.459 3.782 0 40 DHAB Cc1ccc(Oc2ccc(C(=O)N3CCSCC3)o2)cc1 72264854 BSWQPNWTPROLBB-UHFFFAOYSA-N 303.383 3.569 0 40 DHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1Br)C(F)(F)F 72302701 RMKPPONDOGSKDM-JGVFFNPUSA-N 324.140 3.825 0 40 DHAB Clc1ccc(Cn2cc(NCc3cscn3)cn2)cc1 90200316 IFRMKOAIDXOKFA-UHFFFAOYSA-N 304.806 3.653 0 40 DHAB Cc1cc(=O)oc2cc(Oc3nc(C4CC4)ns3)ccc12 92581809 QOYIGJSIUVFTQN-UHFFFAOYSA-N 300.339 3.623 0 40 DHAB Fc1ccc(-c2ccnc3nc(CCc4ccccc4)nn23)cc1 95474033 GCVSHWLETOLAAK-UHFFFAOYSA-N 318.355 3.716 0 40 DHAB CCc1nc(C[S@@](=O)Cc2ccc(Cl)s2)cs1 95957218 VPDSOBLWXUYGCQ-KRWDZBQOSA-N 305.877 3.869 0 40 DHAB CC[C@H](Nc1nc(C(F)F)nc2ccccc12)c1nc(C)n[nH]1 95963262 WYDDSFDCUORFOT-JTQLQIEISA-N 318.331 3.557 0 40 DHAB CCc1cccc2c3nnc(S)nc3n(Cc3ccccc3)c12 96319334 NKHHQAUJLLZWLH-UHFFFAOYSA-N 320.421 3.879 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)Nc2cnn(CC(C)C)c2)c1 97038671 XPIVRITZHRTDJL-CYBMUJFWSA-N 300.406 3.671 0 40 DHAB N[C@]12C[C@H]3C[C@H](CC([C@@]45C[C@@H]6C[C@@H](C[C@@](N)(C6)C4)C5)(C3)C1)C2 100069359 SOKRCBPOBAYQBS-KYMAQGJCSA-N 300.490 3.582 0 40 DHAB O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 109033620 AWKREVHINBXMGS-OUJBWJOFSA-N 315.310 3.897 0 40 DHAB CC[C@H](C)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 192845348 WUCHDHYQEOUJMT-ZDUSSCGKSA-N 315.417 3.723 0 40 DHAB FC(F)Cn1cc(N[C@@H](c2ccccc2)c2ccncc2)cn1 195553929 HFPVTWOCDAQMBU-KRWDZBQOSA-N 314.339 3.745 0 40 DHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccccc1OC 224599817 HOXOUCUKBXAZHP-CABCVRRESA-N 307.434 3.795 0 40 DHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CCCC[C@H]1C 245228432 XXFFNUBOFHXZRJ-FRRDWIJNSA-N 317.458 3.738 0 40 DHAB Cc1cc(NC(=O)OC(C)(C)C)cc2ccc(C(=O)O)nc12 256050596 FRHUENTUYPSSJG-UHFFFAOYSA-N 302.330 3.588 0 40 DHAB CCn1nccc1-c1cc(C[C@@H]2CCCN(C(C)C)C2)ccn1 257235494 GYCOBGCWFJBYEY-KRWDZBQOSA-N 312.461 3.628 0 40 DHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260784179 VHXRIUUWGGOJDX-KBRIMQKVSA-N 309.438 3.979 0 40 DHAB CCCC[C@H](C(=O)c1ccc(OC)c(OC)c1)N1CCCC1 299817181 KAWWDIAYCGMAPE-OAHLLOKOSA-N 305.418 3.541 0 40 DHAB in-vitro C[C@H](NC(=O)c1cnn(C)c1C(F)F)c1ccc(C2CC2)cc1 563945350 YYGBEAUBROBLQS-JTQLQIEISA-N 319.355 3.726 0 40 DHAB Cc1nc2c(s1)[C@H](N(C)Cc1ccsc1C(=O)O)CCC2 569229105 HPSRNSGFRVVTHK-GFCCVEGCSA-N 322.455 3.721 0 40 DHAB O=C1OC(c2ccccc2)=N/C1=C/c1c(O)ccc2ccccc12 207244 ROBNYAKIJZGSBC-SFQUDFHCSA-N 315.328 3.890 0 40 DHAB O=C(Cc1cccc2ccccc12)OCC(=O)c1ccccc1 578551 SDFIDFCXNQSATM-UHFFFAOYSA-N 304.345 3.808 0 40 DHAB C[C@H](O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1017196 RAGJLMZHMNHLCN-JTQLQIEISA-N 320.186 3.755 0 40 DHAB O=c1[nH]nc(-c2ccccc2)c2c(/C=C/c3ccccc3)onc12 1613405 VRYKFIRXOJNVEI-VAWYXSNFSA-N 315.332 3.749 0 40 DHAB Cc1ccc(OCC(=O)Nc2nccs2)c(C(C)(C)C)c1 2591256 HVFLJXPHVMJMDY-UHFFFAOYSA-N 304.415 3.767 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)N[C@H]1CCCc2ccccc21 3258421 MVOJHBQEGYMADK-JKGDOXCYSA-N 313.422 3.654 0 40 DHAB O=C(CCCSc1ccccc1)Nc1ccc2c(c1)OCO2 3353447 QJRUQPFIVKXVQU-UHFFFAOYSA-N 315.394 3.926 0 40 DHAB CC(=O)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 4273309 XGTZYMPBQDZMIO-UHFFFAOYSA-N 319.336 3.523 0 40 DHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1cccs1 4910110 YDUVULDAIBSUHI-OAHLLOKOSA-N 313.382 3.686 0 40 DHAB Cc1nc(SCCO)c2c(-c3cccs3)csc2n1 6600276 RQCPIMODCHKDBG-UHFFFAOYSA-N 308.453 3.813 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)Nc1nc2c(s1)CCC2 8313172 DJJJZEUYMRXHJV-UHFFFAOYSA-N 311.410 3.684 0 40 DHAB CC(C)[C@H](Nc1ccc2nnnn2n1)c1ccc(C(C)(C)C)cc1 8772172 JWSBTTBGETXYBN-KRWDZBQOSA-N 324.432 3.626 0 40 DHAB Cc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)s1 9503663 OHQASDKRIQFIBM-UHFFFAOYSA-N 314.410 3.744 0 40 DHAB CSc1cccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1 9949437 UPDCSBKYEVUGFG-BZNIZROVSA-N 315.394 3.576 0 40 DHAB CCCCc1nnc2sc(COc3ccc(Cl)cc3)nn12 11278188 IXEGOWFNTOITPQ-UHFFFAOYSA-N 322.821 3.761 0 40 DHAB O=C(C[C@H]1C=CCC1)NCc1ccc(NC(=O)c2ccco2)cc1 11535072 BAKRQIBWBFNGRV-AWEZNQCLSA-N 324.380 3.504 0 40 DHAB Cc1nc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc2o1 12735883 CJLFPVCMKGBXOC-UHFFFAOYSA-N 318.279 3.990 0 40 DHAB COc1ccc(CN(C(=O)c2c[nH]c3ccccc23)C2CC2)cc1 12804203 PAYSKHFMEDUEFH-UHFFFAOYSA-N 320.392 3.981 0 40 DHAB Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1 12942399 PFRCUEZWMRTQDX-UHFFFAOYSA-N 315.442 3.690 0 40 DHAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1 13932632 MNKMMTDIFWOCTP-LLVKDONJSA-N 304.390 3.882 0 40 DHAB CCCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 13947843 MREWTOIQDRDPTM-UHFFFAOYSA-N 315.438 3.781 0 40 DHAB COc1ccccc1CCC(=O)Nc1cccc2cccnc12 14122246 ZIURZPXWOHPLPF-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 15648525 JSNXPLQKHIIKME-GUYCJALGSA-N 301.361 3.861 0 40 DHAB NC(=O)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl 19042524 XLDQBKQETOQPIF-UHFFFAOYSA-N 314.143 3.810 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(N)ccc1F 19736606 WGWAQNJCWOGGSB-INIZCTEOSA-N 302.349 3.512 0 40 DHAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=O)c1C 20393438 NPBGOBQGKLNBID-UHFFFAOYSA-N 317.772 3.787 0 40 DHAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1 22134354 ADZMRBMGHFSHDK-MRXNPFEDSA-N 321.829 3.770 0 40 DHAB CNC(=O)c1ccc(NC(=O)c2occc2-c2ccccc2)cc1 23205343 AWSZVOLKALPVEI-UHFFFAOYSA-N 320.348 3.559 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@@H](C)SCc1cc(C)no1 25691950 PHYBNXZUSBNACT-GFCCVEGCSA-N 320.414 3.560 0 40 DHAB CCOCc1cc(C(=O)Nc2cc(F)cc(F)c2)ccc1OC 27027732 GJHFRJIAGSJPMZ-UHFFFAOYSA-N 321.323 3.762 0 40 DHAB O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccon1 27935170 WKKVNDIWJBXYME-UHFFFAOYSA-N 321.547 3.652 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)COc2ccc(Cl)cc2)cc1 28293117 YSSRVFZFRZEBNZ-LBPRGKRZSA-N 319.788 3.546 0 40 DHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCCc2ccccc21 29030702 XHPJVMXXEMNRBZ-UHFFFAOYSA-N 317.392 3.524 0 40 DHAB COc1cccc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 32026069 KIYSALUJHRSJTF-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(F)c1 32585597 AXWAKHCPXJEYOI-UHFFFAOYSA-N 323.389 3.506 0 40 DHAB Cc1cc(C)c(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)c(C)c1 35031454 XSNHSRSRUZLJLL-BZSNNMDCSA-N 305.462 3.614 0 40 DHAB CC(C)(C)OC(=O)NCc1cccc(-c2ccccc2CN)c1 40449484 UZTJUQALQXUZFG-UHFFFAOYSA-N 312.413 3.837 0 40 DHAB C1=C(c2ccccc2)Sc2nnc(-c3ccccc3)n2NC1 41154165 PBLYMFAFZCAZCF-UHFFFAOYSA-N 306.394 3.635 0 40 DHAB Cc1ccc(CSCCNC(=O)Cc2ccc(C)cc2)cc1 61058954 DNSFMDFSKNWVHT-UHFFFAOYSA-N 313.466 3.896 0 40 DHAB Cc1cc(C[S@](=O)Cc2csc(-c3cccs3)n2)on1 71859145 CNYDNSSRYYHUIT-FQEVSTJZSA-N 324.452 3.617 0 40 DHAB CC(C)N1CCOC[C@H]1c1nc(-c2cccc(Cl)c2)c[nH]1 72322130 DTOFPJYPTVDGLI-HNNXBMFYSA-N 305.809 3.512 0 40 DHAB biogenic,in-vitro CN1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 73414523 OAAQBJMVTCBKBU-HXUWFJFHSA-N 322.452 3.557 0 40 DHAB COc1c(C)cnc(CSc2nncc3ccccc23)c1C 74015712 DJPQNAQXHNLQSD-UHFFFAOYSA-N 311.410 3.943 0 40 DHAB O[C@@H](CNc1ccc(C(F)(F)F)cn1)c1ccc(F)c(F)c1 75667873 UDZQFTIZHUKHSN-LBPRGKRZSA-N 318.245 3.524 0 40 DHAB C[C@@H](OC(=O)c1cnccn1)c1nc2cc(Cl)ccc2s1 78814826 DLOHUYFVDWYFTA-MRVPVSSYSA-N 319.773 3.658 0 40 DHAB COC(=O)CCCC(=O)c1ccc(OCc2ccccc2)cc1 82726725 IBKUNJKNIADKSP-UHFFFAOYSA-N 312.365 3.792 0 40 DHAB CCOC[C@@H]1CCN(Cc2ccc(-c3ccncc3)cc2F)C1 93838680 DKTXDJWVAFKCGU-OAHLLOKOSA-N 314.404 3.746 0 40 DHAB Cc1nc(CNC(=O)N[C@H]2CC[C@H](C)c3ccccc32)oc1C 95434389 STCXTPSINCTZNT-ZBEGNZNMSA-N 313.401 3.729 0 40 DHAB COc1ccc(Cl)cc1C(=O)c1cc(F)c(F)cc1F 95916312 BCZSPXPHWJZWBL-UHFFFAOYSA-N 300.663 3.997 0 40 DHAB COC(=O)c1cc(OC)c2cc(OC)c(OC)c(C(C)C)c2c1 95937604 GSTMRVNEXXLECT-UHFFFAOYSA-N 318.369 3.776 0 40 DHAB CO[C@@H](CNC(=O)c1ccc(Cl)s1)c1ccsc1 96097379 BPIQIARYPAVTKS-VIFPVBQESA-N 301.820 3.581 0 40 DHAB O[C@@H](C[C@H]1CCCCCN1Cc1cscn1)c1ccco1 96468682 HFGVCZNETUBZOA-CABCVRRESA-N 306.431 3.604 0 40 DHAB CCN(Cc1ccc(O[C@H](C)C(=O)OC)cc1)c1ccccc1 97058970 IPGHSKCPHTZUQT-OAHLLOKOSA-N 313.397 3.653 0 40 DHAB Cc1csc([C@H](C)CNC(=O)N[C@H]2CCc3ccccc32)n1 97109754 KUBNIQFWEOJGBB-ABAIWWIYSA-N 315.442 3.542 0 40 DHAB COc1ccc([C@@H](N[C@H]2C=CCCC2)C2CCOCC2)cc1 97230812 USFZEQPIOOKLGJ-PKOBYXMFSA-N 301.430 3.861 0 40 DHAB C[C@@H](NC(=S)NCCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102837455 VZCDYBHTQQUKMM-IWCQGFGOSA-N 302.487 3.518 0 40 DHAB ClC1=C(Cl)[C@@]2(Cl)C[C@@]1(Cl)[C@H]1[C@H]3C[C@@H]([C@H]4O[C@H]34)[C@H]12 104223480 LIYPVKFEUBWTBI-FWVKIPEMSA-N 312.023 3.698 0 40 DHAB CCc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1OC 113970878 NHPIIGMQRZJWAA-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB Cc1cccc(CC(=O)N2CCS[C@H](c3ccco3)CC2)c1 207007926 QPDHKSBWXPOCFW-KRWDZBQOSA-N 315.438 3.837 0 40 DHAB COc1ccc(CO)cc1OC(=O)c1cccc2ccccc12 216943222 HKQRUAAYCLWUOI-UHFFFAOYSA-N 308.333 3.560 0 40 DHAB CCC(CC)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 224970393 DNLBZINLQUYJLZ-UHFFFAOYSA-N 313.463 3.594 0 40 DHAB CCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225900681 DBEVNLQASFVEFU-SCLBCKFNSA-N 320.433 3.713 0 40 DHAB CNC(=S)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccs1 226784317 MNCUYMSZXZZBSX-CYBMUJFWSA-N 319.430 3.543 0 40 DHAB Fc1ccccc1Cc1cnc([C@H]2CCCN(CC3CC3)C2)o1 257313033 UQSWIWWLKYQYNV-INIZCTEOSA-N 314.404 3.994 0 40 DHAB O=C1CC[C@@H](C(=O)Nc2cncc3ccccc23)c2ccccc21 576415206 UMKXIHHFMVXOAO-QGZVFWFLSA-N 316.360 3.934 0 40 DHAB Cc1cccc(C)c1NC(=O)N1CCCC[C@@H]1[C@@H](C)CN(C)C 583651150 IFZQQOUOKNKASK-DLBZAZTESA-N 317.477 3.888 0 40 DHAB CC(C)C(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 585131128 MMYDLTQDAYFDPT-UHFFFAOYSA-N 308.834 3.660 0 40 DHAB Cc1ccc([C@H]2CN(c3ncnc4ccsc34)CCO2)cc1 1775974022 VODKYOOLIXCRLH-OAHLLOKOSA-N 311.410 3.578 0 40 DHAB Cn1cnc(-c2c(Cl)cc(Br)cc2Cl)n1 2362801768 STDIDYQRIDWXTC-UHFFFAOYSA-N 306.978 3.551 0 40 DHAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1COc2ccccc2O1 101367 SYCPJHWRLWVZNR-CQSZACIVSA-N 324.163 3.772 0 40 DHAB Cc1nnsc1-c1nc(CSc2ccc(Cl)cc2)no1 105969 QOQOCJKHUIRJMZ-UHFFFAOYSA-N 324.818 3.842 0 40 DHAB COc1ccc(CCc2ccc(OC)c(OC)c2)cc1OC 242358 KZFGXTHUBGSZKB-UHFFFAOYSA-N 302.370 3.506 0 40 DHAB biogenic O=C(CN1CCCCCC1)NC(c1ccccc1)c1ccccc1 2616621 YXMIIEYJAFFIPM-UHFFFAOYSA-N 322.452 3.768 0 40 DHAB O=C(CSc1cc(Cl)ccc1Cl)NCc1ccco1 2636419 NEOSZHGESGPZAO-UHFFFAOYSA-N 316.209 3.995 0 40 DHAB CCCN(Cc1ccccc1)C[C@@H](O)COc1ccc(C)cc1 2647020 IOUQTZSPYJKWDG-LJQANCHMSA-N 313.441 3.647 0 40 DHAB COc1ccc(C2=N/C(=C\c3cc(C)ccc3C)C(=O)O2)cc1 3245003 ZMSZHXPMDLPSDO-BOPFTXTBSA-N 307.349 3.657 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2sccc2C)cc1 3530306 VAAMHQKAXXASLB-GFCCVEGCSA-N 317.410 3.803 0 40 DHAB CC(C)(C)C(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 5559552 ADLFJVRWCOVGIL-UHFFFAOYSA-N 306.377 3.796 0 40 DHAB Cn1c(N)c(C(=O)Nc2ccc3ccccc3c2)sc1=S 5563175 XKGCUGBFKRJHFY-UHFFFAOYSA-N 315.423 3.804 0 40 DHAB c1ccc(-c2nc(COc3ncnc4ccccc34)co2)cc1 6508955 FJELWKFWKOQEJO-UHFFFAOYSA-N 303.321 3.864 0 40 DHAB O=C(CCc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 8516577 IWVJZFDSCXBMKD-UHFFFAOYSA-N 304.393 3.685 0 40 DHAB biogenic O=C(c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 8673419 YIUMFHKFKPGVFX-UHFFFAOYSA-N 306.365 3.848 0 40 DHAB COc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1 9014156 CTZLVURGWCDDDL-OAHLLOKOSA-N 319.364 3.559 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)c2cccs2)c1C 9254655 BIBUAXSYXOICKB-LLVKDONJSA-N 304.415 3.729 0 40 DHAB COc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1C 9902486 LAWJVHGIVLPTGU-UHFFFAOYSA-N 320.392 3.683 0 40 DHAB COc1ccc(-n2nc(C)c(CCc3ccccc3)c2O)cc1 9938061 HKFLZBDKDQMGIU-UHFFFAOYSA-N 308.381 3.680 0 40 DHAB CC[C@H](C)NC(=O)Nc1cc(NC(=O)N[C@H](C)CC)ccc1C 10036559 BVJQSIPGIHWZLD-OLZOCXBDSA-N 320.437 3.835 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc(OC(C)C)cc1 12186473 OIUYRKDEEHHPFT-OXJNMPFZSA-N 323.440 3.834 0 40 DHAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(C1CC1)C3 12442472 MQNAUTJQSPPWMA-UHFFFAOYSA-N 319.360 3.774 0 40 DHAB biogenic C[C@H](Sc1nccn1C1CC1)C(=O)Nc1c(F)cccc1F 12538999 CYGCKLVKPVTHNW-VIFPVBQESA-N 323.368 3.616 0 40 DHAB COc1ccc(NC(=O)c2cccc3cccnc23)cc1OC 12938939 QVBKWNJPNSGDJL-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB COc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Nc2ncnn21 13127537 NHQDZHCDOHTKCQ-JKSUJKDBSA-N 324.359 3.572 0 40 DHAB c1coc(CNc2nc(-c3ccc4c(c3)OCO4)cs2)c1 14140140 HYBDZEVOLFYFBK-UHFFFAOYSA-N 300.339 3.744 0 40 DHAB COC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 14831605 HPFPKSMNSRXSEK-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB O=C(Cc1ccc(F)cc1)N[C@H]1CCSc2ccc(F)cc21 15199062 APVHZVSFCMMPJJ-HNNXBMFYSA-N 319.376 3.861 0 40 DHAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)s1 16252448 PLBLUKRBWIYSRZ-UHFFFAOYSA-N 314.366 3.677 0 40 DHAB COc1ccc(CN(C)C(=O)Nc2ccc(C)cc2)c(OC)c1 18173583 OOUUCPRYJUDCNO-UHFFFAOYSA-N 314.385 3.676 0 40 DHAB CN(C)C(=O)SN(C(=O)c1ccccc1)c1ccccc1 18194540 ZGXXDACFPQIPFH-UHFFFAOYSA-N 300.383 3.663 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)c(N)c1 19736440 JYRPIIKASVTUJL-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB C[C@H](NC(=O)/C=C/c1cccnc1)c1ccccc1OC(F)F 25791614 HEXSFIUCUWHVFB-BCPZQOPPSA-N 318.323 3.574 0 40 DHAB Cc1nc2cc(NC(=O)COc3c(C)cccc3C)ccc2o1 28313903 QTIYLFVCTLGERQ-UHFFFAOYSA-N 310.353 3.771 0 40 DHAB COCc1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 29143769 PJGAUSHKPSBOLO-UHFFFAOYSA-N 307.296 3.687 0 40 DHAB COc1ccccc1NC(=O)Cn1ccc2cc(Cl)ccc21 32091386 TUORCGLOXOJEBG-UHFFFAOYSA-N 314.772 3.942 0 40 DHAB O=C(Nc1cccc2cccnc12)c1ccn(C2CCCC2)n1 32611725 JQKZJAQUNUZCJJ-UHFFFAOYSA-N 306.369 3.799 0 40 DHAB CCCc1ccc([C@H](NC(=O)c2cnn(C)c2C)C(C)C)cc1 32879967 NKVFHRUSURAPNK-GOSISDBHSA-N 313.445 3.808 0 40 DHAB Cc1nnc(Cl)c2nn(-c3ccc(F)cc3Cl)c(C)c12 36646144 CFWWQZDUCKMAMG-UHFFFAOYSA-N 311.147 3.878 0 40 DHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(Cl)cc1F 40108304 RPZONSCKJKFWAF-XHDPSFHLSA-N 313.800 3.804 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)NCc1ccccc1F 40149999 ULONPZLKRMYMOG-UHFFFAOYSA-N 300.377 3.946 0 40 DHAB O=C(Nc1nc(C2CC2)cs1)N1CCc2sccc2C1 43648471 LTQKKDSEWIBYJF-UHFFFAOYSA-N 305.428 3.672 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(F)c(F)c1 48264379 PXVUXNAPXPDQJA-ABAIWWIYSA-N 312.360 3.682 0 40 DHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)COC1CCCC1 55736752 VLXKQVWIABVTLO-ZDUSSCGKSA-N 312.413 3.573 0 40 DHAB Cc1csc(NS(=O)(=O)c2cccc(Cl)c2Cl)n1 57710736 KICZIIYMHOACNG-UHFFFAOYSA-N 323.226 3.559 0 40 DHAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccccn1 65608742 ZCAOTESNVIVLEY-OAHLLOKOSA-N 309.413 3.592 0 40 DHAB O=C(NCc1cccnc1)N1CCC[C@@H](c2ccccc2)CC1 66898233 KCNLBBWEXHURKK-GOSISDBHSA-N 309.413 3.561 0 40 DHAB C/C(=C\C(=O)NCc1nc(C)cs1)CCc1ccccc1 69457486 GCESEOGXQHQJAO-JLHYYAGUSA-N 300.427 3.647 0 40 DHAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 69491147 YIQQSYKSNDCVOR-OAHLLOKOSA-N 317.392 3.568 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(O)c1 71008049 OBINDDDTHGQDHW-UHFFFAOYSA-N 321.424 3.544 0 40 DHAB COc1ccccc1CN[C@@H](C)c1cccc(N2CCCC2=O)c1 71831346 BGSHFKCGDXEWMD-HNNXBMFYSA-N 324.424 3.673 0 40 DHAB Cn1c([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)nc2ccccc21 71839189 NTZFUUZYECLART-WMLDXEAASA-N 309.413 3.593 0 40 DHAB Cc1ccc([C@H]2CCCN2C(=O)Cc2cccc(O)c2)s1 71908397 RGWPTOVIXMKDNN-OAHLLOKOSA-N 301.411 3.668 0 40 DHAB Cc1nc(I)ccc1SC(C)(C)C 72219691 ZMJDUFKRBPOFKF-UHFFFAOYSA-N 307.200 3.885 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)C[C@H](C)n2cccc2)n1 72286825 DWKKCCIXPLXXBS-GJZGRUSLSA-N 317.458 3.958 0 40 DHAB CSc1cccc(NC(=O)N[C@H](CCO)c2ccccc2)c1 72294148 LORSDSNAOCBFHX-MRXNPFEDSA-N 316.426 3.654 0 40 DHAB O=C(Nc1ccc(Br)cc1F)N1C[C@H]2CCC[C@H]21 75110193 NXFNZAGHQTVHKC-PRHODGIISA-N 313.170 3.604 0 40 DHAB COc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1Cl 78755153 JMIVDKLJJCAZAV-AWEZNQCLSA-N 323.179 3.856 0 40 DHAB O=C(NCCc1ccoc1)NC(c1ccccc1)c1ccccc1 90607468 OTNVGQDJULSODO-UHFFFAOYSA-N 320.392 3.911 0 40 DHAB CN(Cc1nccs1)C(=O)c1ccnc(SC(C)(C)C)c1 97233552 BIDUSOSFKGKXKC-UHFFFAOYSA-N 321.471 3.701 0 40 DHAB CN(C(=O)c1cccc(NC2CCOCC2)c1)c1ccccc1 97235432 CUEAPYJAWXABJZ-UHFFFAOYSA-N 310.397 3.554 0 40 DHAB CCN(CC)[C@@H](CNc1nc(C)cc(C)n1)c1ccsc1 97286641 UVWZGQXYVLOAJZ-HNNXBMFYSA-N 304.463 3.650 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 103249478 YEVVSXREWCKLQT-QPSCCSFWSA-N 321.848 3.968 0 40 DHAB Cc1cc(C)c(NC(=O)Cn2ccc(=O)c3ccccc32)c(C)c1 128008821 QKDNGAQJECUTMT-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB Nc1cnccc1C(=O)c1cc(C(F)(F)F)ccc1Cl 199711463 NHDGNIIJTJEXKH-UHFFFAOYSA-N 300.667 3.567 0 40 DHAB COc1cccc(-c2nnc(-c3c(C)nc4cc(C)ccn34)o2)c1 216611011 BLJNEBKOOUKLGG-UHFFFAOYSA-N 320.352 3.677 0 40 DHAB COC(=O)c1cn(C(=O)Cc2cc(C)ccc2C)c2ccccc12 222618213 JHDDVMWXVZYQFF-UHFFFAOYSA-N 321.376 3.928 0 40 DHAB CCCN(CCCC(=O)O)c1cccc(Br)c1 224989622 ASOMQMCSSGAVHO-UHFFFAOYSA-N 300.196 3.530 0 40 DHAB COc1ccc(C)cc1C[C@H](Oc1ccc(C)c(C)c1)C(=O)O 225118497 NMGWPMKXJNMKFD-SFHVURJKSA-N 314.381 3.695 0 40 DHAB Cc1ccc(CN(C)C(=O)COc2ccc3c(c2)CCCC3)cc1 225286381 SAVBMTKRGAPYIG-UHFFFAOYSA-N 323.436 3.911 0 40 DHAB COc1ccc(NC(=S)Nc2cc(Cl)ccc2O)cc1 243224965 KJOZIXXOZIQKNH-UHFFFAOYSA-N 308.790 3.863 0 40 DHAB CC(C)c1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1 408713170 MSRVANABFLJLMR-UHFFFAOYSA-N 320.392 3.914 0 40 DHAB C[C@@H]1O[C@H](C)[C@@H](c2nc(-c3ccc(C(F)F)nc3)no2)[C@H]1C 528220278 NTYIKNPEUUWUTR-UOKLYIGXSA-N 309.316 3.596 0 40 DHAB CN(Cc1ccoc1)[C@H](C(=O)O)c1ccccc1C(F)(F)F 572848577 QJHAQDVMNJLCKG-ZDUSSCGKSA-N 313.275 3.556 0 40 DHAB O=C(O)[C@@H]1CCCC[C@@H]1NCc1ncc(-c2ccccc2)s1 580564587 ANHQTRGDNWATMN-KGLIPLIRSA-N 316.426 3.543 0 40 DHAB Cc1cnccc1CCNCc1cc(F)c(Cl)nc1Cl 585116566 BAMSNKCXEOFMLX-UHFFFAOYSA-N 314.191 3.563 0 40 DHAB Clc1ccc2ncc(-c3ccc(C4CCNCC4)nc3)n2c1 643550455 IAAHAURFIAPQOW-UHFFFAOYSA-N 312.804 3.517 0 40 DHAB CC1=NN(C(=S)c2ccc(C)cc2)[C@@](C)(O)[C@H]1CC(C)C 133932 MXJQIHAUIOISPO-RDJZCZTQSA-N 304.459 3.733 0 40 DHAB Clc1cccc2c(N3CCOCC3)c3c(nc12)CCCC3 1621252 ZJRUFYNUXUWLIN-UHFFFAOYSA-N 302.805 3.604 0 40 DHAB O=C(c1cc(F)ccc1F)N1CCC[C@@H]1c1ccc(O)cc1 78714384 FNNCGPJQBWYKLY-MRXNPFEDSA-N 303.308 3.648 0 40 DHAB COC(=O)[C@H](C)CN(Cc1ccccc1)c1nc2ccccc2o1 79109133 SOSMRSVIDWMNHR-CQSZACIVSA-N 324.380 3.644 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)c3ccccc3F)c2)n1 32817490 BUAXUUYBXIGGFZ-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB CC(C)c1ccc(OC[C@@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 4164582 JQKCVMHFHDPFRO-NUJGCVRESA-N 305.462 3.813 0 40 DHAB CC[C@H](C)NCCOC(=O)C(c1ccccc1)c1ccccc1 6412300 GOVLDUBOOKNYLA-INIZCTEOSA-N 311.425 3.750 0 40 DHAB O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccco1 509302 QJKWWXSYABKASA-UHFFFAOYSA-N 321.292 3.842 0 40 DHAB Cc1ccc(S(=O)(=O)NCCc2ccc(C(C)C)cc2)cc1 8132476 ZIRMIAWOVQQFEM-UHFFFAOYSA-N 317.454 3.639 0 40 DHAB CCCC(=O)Nc1cccc(CNCc2ccc(F)cc2)c1 47752798 YMFVGNOWFWJSNK-UHFFFAOYSA-N 300.377 3.854 0 40 DHAB CN(C(=O)c1ncoc1[C@H]1CCCO1)C1CCCCCCC1 83855646 METKSBZIRDSQRH-CQSZACIVSA-N 306.406 3.711 0 40 DHAB COc1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1O 9939825 YBVURLVIUXYKLQ-UHFFFAOYSA-N 300.745 3.907 0 40 DHAB Cc1sc2nc([C@@H](C)N3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c2c1C 108929092 KOUMTNYUKLAYJE-CKYFFXLPSA-N 319.474 3.640 0 40 DHAB Cc1c(C[S@](C)=O)cccc1NC(=O)CC1CCCCC1 71909700 FQCWODOGBDRPBN-OAQYLSRUSA-N 307.459 3.782 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1nc(C)cs1 57152845 PEXJMAIKFUFWDZ-CYBMUJFWSA-N 316.426 3.909 0 40 DHAB CC(=O)Nc1ccc2nc(SCc3ccccn3)sc2c1 59417553 YYANWOQJJJXHKC-UHFFFAOYSA-N 315.423 3.942 0 40 DHAB Fc1cc(Cn2nccc2NCc2cscn2)ccc1Cl 97016240 UVZLZKKPNWVPPY-UHFFFAOYSA-N 322.796 3.793 0 40 DHAB C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc2c(c1)CCC2 27975590 RHWFTCSBNCYCKK-LLVKDONJSA-N 317.335 3.860 0 40 DHAB CCn1c2ccccc2c2cc(NC(=O)CNC3CC3)ccc21 3305925 LERGHEWVFKEWQW-UHFFFAOYSA-N 307.397 3.505 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCSc1nnc(C(F)(F)F)n1C 58245199 BJQUIFSDNUOHNE-NXEZZACHSA-N 323.384 3.521 0 40 DHAB CSc1ncccc1C(=O)Nc1nc2c(C)cccc2s1 3366643 LJSXONLFGHBGJR-UHFFFAOYSA-N 315.423 3.974 0 40 DHAB O=C(O)c1ccccc1SCc1nc(-c2cccs2)no1 12750347 RRGXDJDMEZVPHF-UHFFFAOYSA-N 318.379 3.789 0 40 DHAB COc1ccc([C@H](O)P(=O)(OC(C)C)OC(C)C)cc1 2283289 DIRMEVNJPBGTAP-CQSZACIVSA-N 302.307 3.729 0 40 DHAB Cc1cc2occ(CC(=O)Nc3c(C)nn(C)c3C)c2cc1C 13006444 KSEUGACFNQNESZ-UHFFFAOYSA-N 311.385 3.581 0 40 DHAB CCOC(=O)c1cnc2ccc(C)cc2c1NCc1cccnc1 5584663 YQXUPADIKSRJNB-UHFFFAOYSA-N 321.380 3.727 0 40 DHAB COc1ccc(N(C)C(=O)Nc2ccc3oc(C)nc3c2)cc1 409135846 SNIFGTYLNYQEFC-UHFFFAOYSA-N 311.341 3.813 0 40 DHAB COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cn1 6647230 XGRFVOPIMLRGOW-UHFFFAOYSA-N 319.364 3.768 0 40 DHAB Cc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 409081069 JNILDNPKCTXMKX-VBKFSLOCSA-N 314.454 3.728 0 40 DHAB O=C(/C=C/c1ccc2ccccc2n1)N1CCc2ccccc2C1 6848249 JDZUJMKSMXYWAX-VAWYXSNFSA-N 314.388 3.833 0 40 DHAB COc1cccc(-c2n[nH]c(Nc3ccc(Cl)cc3)n2)c1 20411712 NNWGOXLFWPXZDS-UHFFFAOYSA-N 300.749 3.877 0 40 DHAB CCCNc1nc(CN2CCCC2)nc2sc(C)c(C)c12 7001721 GDCOIUMXPRPKKE-UHFFFAOYSA-N 304.463 3.726 0 40 DHAB COc1ccc(SCC(=O)N(C)Cc2ccc(C)cc2)cc1 20493787 URIHXOJRVOJIAD-UHFFFAOYSA-N 315.438 3.754 0 40 DHAB CC(C)n1cnnc1CN[C@H]1C[C@H](C)Sc2sccc21 90038326 AKICVLYMJPAFBO-JQWIXIFHSA-N 308.476 3.636 0 40 DHAB Cc1ccc([C@@H](NC(=O)c2cccnc2)c2ccccc2)cc1 29882936 PLXBNQUMHVCNFQ-IBGZPJMESA-N 302.377 3.909 0 40 DHAB CC1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 7779375 SYNRDBZAAHJPMN-UHFFFAOYSA-N 321.364 3.562 0 40 DHAB CCOc1ccc(NC(=S)NN2[C@H](C)CCC[C@H]2C)cc1 8685403 BXOYUJZJTADECV-CHWSQXEVSA-N 307.463 3.550 0 40 DHAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1 9427378 RCIWZPNJEZIXSH-UHFFFAOYSA-N 320.392 3.581 0 40 DHAB CCc1ccc(C)cc1OC(=O)c1ccc(F)c(NC(C)=O)c1 95451879 CIIMMKLSJWEXRP-UHFFFAOYSA-N 315.344 3.874 0 40 DHAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccco1 20139697 FNQKDBQMJQEXAU-UHFFFAOYSA-N 317.728 3.938 0 40 DHAB Cc1cc(C(=O)N(C)Cc2cccc(O)c2)c(C(F)(F)F)o1 548105949 STLFFZVZAHHOIO-UHFFFAOYSA-N 313.275 3.585 0 40 DHAB Cc1nc(CSc2ccc(-c3cccnc3)nn2)cs1 36652427 IKPJFDJVUMLLNA-UHFFFAOYSA-N 300.412 3.596 0 40 DHAB O=C(O)c1c(-c2ccc(Cl)cc2)ccnc1Br 34743194 PKBRYBJHIGRLEK-UHFFFAOYSA-N 312.550 3.863 0 40 DHAB Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1C(=O)c1ccccc1 72218716 ZOWWGYWBSCVTGW-SFHVURJKSA-N 323.440 3.823 0 40 DHAB O=C(NCCC[C@H]1CCCCO1)c1ccccc1C(F)(F)F 186683461 ALGALTBTFUMPAH-GFCCVEGCSA-N 315.335 3.785 0 40 DHAB CCOc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72211816 XEILGBJANWHHRB-QGZVFWFLSA-N 310.397 3.848 0 40 DHAB C[C@@H](Sc1nccn1C)C(=O)C12CC3CC(CC(C3)C1)C2 36806349 DRMYRJDMQAKAEO-SFCYXTAJSA-N 304.459 3.686 0 40 DHAB Cc1cc(C)cc(Nc2ccc(N)cc2C(=O)N2CCCC2)c1 225466115 FEIYOLIXEJDRMA-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c(C)n1 225888543 GXBSIBWBOOCORA-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccccc1 49466815 CYRZTMVTPZWDAG-MORSLUCNSA-N 323.392 3.850 0 40 DHAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 225131735 URUZXGIAVDBRMY-UHFFFAOYSA-N 315.847 3.925 0 40 DHAB CCc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1 225735924 YHDSFIKCZYUVLX-OAHLLOKOSA-N 319.518 3.657 0 40 DHAB CCCc1sc(C(=O)Nc2c(C)nn(C)c2C)cc1CC 45000103 FUHVGXGNBGJYLW-UHFFFAOYSA-N 305.447 3.866 0 40 DHAB CCc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)o1 96426022 KWHNNQHQZODBKB-MRXNPFEDSA-N 313.397 3.521 0 40 DHAB CC(C)[C@H]1CC(=O)Nc2ccc3nn(-c4ccccc4)nc3c21 96116714 QOHYTDZEVVLFJA-CYBMUJFWSA-N 306.369 3.502 0 40 DHAB FC(F)(F)C[C@@H](NCc1ncc[nH]1)c1ccc(Cl)cc1 96486403 KTRGVFLZMBLPIY-LLVKDONJSA-N 303.715 3.846 0 40 DHAB Cc1ccc2c(c1)CN(C[C@H](C)CC1CCOCC1)CCO2 585084485 FKEJOZIOKSWKQL-MRXNPFEDSA-N 303.446 3.642 0 40 DHAB Cc1cccc([C@H]2C[C@@H](NC(=O)C(C)C)[C@@H]3CCC[C@H]3O2)c1 257279637 OHMMVCHECWIRPT-BSDSXHPESA-N 301.430 3.766 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2csc(C(C)C)c2)C1 257338570 YYAATJFHQLJRGQ-GFCCVEGCSA-N 303.431 3.533 0 40 DHAB Cc1c(Br)cccc1NC(=O)CNc1ccccc1 96248315 XKGBLSHCFYTOAA-UHFFFAOYSA-N 319.202 3.808 0 40 DHAB Cc1nc2ccc(C(=O)N3CC[C@H](C4CCCCC4)C3)cc2[nH]1 13996343 DLOYAYMYICANOO-INIZCTEOSA-N 311.429 3.914 0 40 DHAB Cc1cc(OCC(=O)N[C@H](C)c2ccco2)ccc1C(C)C 17805099 LZROSDBBUYGVTN-CQSZACIVSA-N 301.386 3.968 0 40 DHAB S=C(NCCCN1CCCCC1)Nc1cccc(Cl)c1 18162532 DJTWLPLEENCHAQ-UHFFFAOYSA-N 311.882 3.502 0 40 DHAB OC(/C=C\CN1CCCCC1)(c1ccccc1)c1ccccc1 6228733 ZOVDFMBYOLTYRD-GDNBJRDFSA-N 307.437 3.965 0 40 DHAB Cc1ccc(CSc2nnnn2-c2cc(C)ccc2C)cc1 6098630 SDRQNHYQUDUOGZ-UHFFFAOYSA-N 310.426 3.880 0 40 DHAB Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CCc2ccccc21 37149125 BIXHFJIAZGGUMY-GOSISDBHSA-N 309.409 3.828 0 40 DHAB CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 1507915 RXXDJBWYJTWSKV-UHFFFAOYSA-N 318.424 3.730 0 40 DHAB in-vivo O=C(NCc1cncc(C2CC2)c1)Nc1nc(C2CC2)cs1 575620093 KKQNTKDHVCKLHH-UHFFFAOYSA-N 314.414 3.615 0 40 DHAB O=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccc(O)cc1 5478370 JSKXFVGQQSRPDX-NQDFZQDQSA-N 313.334 3.782 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 95937473 SLDUJJSRLZDAIX-LJQANCHMSA-N 316.445 3.520 0 40 DHAB COc1ccc([C@H](NC(=O)c2ccc(C)s2)C2CC2)cc1 31257971 PCKHHYRXNLYLSJ-MRXNPFEDSA-N 301.411 3.946 0 40 DHAB C[C@@H](NC(=O)CCCSc1ccccc1)c1ccccn1 40457495 UVBZTVZNCUNQNS-CQSZACIVSA-N 300.427 3.831 0 40 DHAB O=C(Cc1cccs1)Nc1cccc(Oc2ncccn2)c1 32027852 CFWPCPINXUMKQQ-UHFFFAOYSA-N 311.366 3.512 0 40 DHAB CCn1c([C@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 200767 VMSMWZIYCLZAME-LBPRGKRZSA-N 311.360 3.686 0 40 DHAB O=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc(Cl)cc12 49570 FIBFCFXKLQHQRC-UHFFFAOYSA-N 314.724 3.885 0 40 DHAB biogenic O=C(O)C[C@@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 117207 UUIRWZNSLSACOU-CQSZACIVSA-N 309.793 3.552 0 40 DHAB COc1ccc2cc(-c3cc(C(F)(F)F)nc(N)n3)ccc2c1 161657 OENCLTFLEDNALC-UHFFFAOYSA-N 319.286 3.906 0 40 DHAB Cc1c(O[C@@H](C)C(=O)O)cccc1C(=O)c1ccc(Cl)cc1 1846060 JQYJAGNNCNBFRM-NSHDSACASA-N 318.756 3.731 0 40 DHAB in-man Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCCC1 3217254 RBPDUDWTAHBFDX-UHFFFAOYSA-N 309.793 3.710 0 40 DHAB CCCCOc1ccc(C(=O)OCc2c(C)noc2C)cc1 3246602 JIOUKWURTWSRKL-UHFFFAOYSA-N 303.358 3.827 0 40 DHAB CCOc1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)cc1 3482899 HWNOZJKDKISIBZ-UHFFFAOYSA-N 315.369 3.663 0 40 DHAB O=C(C[C@H](Nc1ccc(F)cc1)C(=O)O)c1ccc(Cl)cc1 4118459 PTTOAHLULPCTIH-AWEZNQCLSA-N 321.735 3.617 0 40 DHAB Fc1cccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)c1 5032226 LJJXCHSPIHMXTC-SNAWJCMRSA-N 323.356 3.557 0 40 DHAB Cc1cc(CSc2nnc(-c3ccc(Cl)cc3)o2)no1 5282123 GYMSUCBCTVXUPD-UHFFFAOYSA-N 307.762 3.979 0 40 DHAB Cc1ccc(O)c(Nc2ncnc3c2cnn3-c2ccccc2)c1 5346674 QMFWFAPRNXITJZ-UHFFFAOYSA-N 317.352 3.573 0 40 DHAB CCOc1ccc(-c2n[nH]cc2-c2ccccc2OC)c(O)c1 5817635 UFMJMIJPZNNKMI-UHFFFAOYSA-N 310.353 3.857 0 40 DHAB CC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2)c1 6249778 ZGUZUSXMGUPOQE-UHFFFAOYSA-N 302.761 3.593 0 40 DHAB Cc1cc(C)c2oc(C(=O)Nc3ccc(F)cc3)cc(=O)c2c1 6811330 XFHRJPYDVHZNQV-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB C[C@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccccc1 7972897 LFCRLAPAKXUKJH-LBPRGKRZSA-N 322.330 3.995 0 40 DHAB CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1 8326318 ODNXQJXEAWVLML-KRWDZBQOSA-N 319.832 3.780 0 40 DHAB C[C@@H](Sc1ccccc1NC(=O)C1CCCCC1)C(=O)O 8732961 CYYCNLBOQJVLPJ-LLVKDONJSA-N 307.415 3.771 0 40 DHAB Cn1c(=O)sc2cc(NC(=O)c3cccc(Cl)c3)ccc21 9587424 XPSOITVHEUNFFE-UHFFFAOYSA-N 318.785 3.506 0 40 DHAB O=C(Nc1ccccc1)N1CCCC[C@@H]1CCN1CCCC1 13735666 YRGKJYVHQXGBGK-QGZVFWFLSA-N 301.434 3.559 0 40 DHAB CC(=O)c1ccc(NCC(=O)Nc2ccc(F)cc2Cl)cc1 15084990 TWISQESMUAMCTC-UHFFFAOYSA-N 320.751 3.732 0 40 DHAB COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)c1 19565992 XAGFKPXRNZMYRL-SQGPQFPESA-N 324.424 3.522 0 40 DHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1 20107633 WYELWOPPKXIBSR-MRXNPFEDSA-N 303.789 3.814 0 40 DHAB CCCCc1nnc(NC(=O)c2cc(Cl)ccc2F)s1 21588987 GBSHSBVWQXCVCN-UHFFFAOYSA-N 313.785 3.926 0 40 DHAB Cc1cccnc1NC(=O)c1cc2c(nc3sccn32)s1 27652460 CLXNIZAINCLFSO-UHFFFAOYSA-N 314.395 3.566 0 40 DHAB CC(C)COc1ccc([C@@H]2CC(O)=Nc3nc(N)sc32)cc1 32093355 RXWPRIAARUYJED-LBPRGKRZSA-N 317.414 3.884 0 40 DHAB O=C(NCc1nc2ccccc2s1)c1c[nH]c2ccccc12 32738219 RBTODQVBPGZAGR-UHFFFAOYSA-N 307.378 3.708 0 40 DHAB O=S(=O)(Oc1ccc2c(c1)CCC2)c1cccc(Cl)c1 33047616 ATJUXDNKZYKACE-UHFFFAOYSA-N 308.786 3.596 0 40 DHAB CCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 36383899 RIKXLROQYQSOHV-RVKKMQEKSA-N 319.445 3.751 0 40 DHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C[C@H](O)c1cccs1 36734349 XUVWJJQEZLOFGT-WBMJQRKESA-N 312.438 3.882 0 40 DHAB CCN(C(C)=O)c1nc(/C=C/c2nc3ccccc3o2)cs1 37127853 XMGYOIJBYWPULX-CMDGGOBGSA-N 313.382 3.828 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccc(Oc2cnccn2)cc1 40107168 SSNSPPPZSFCSPL-IZZDOVSWSA-N 317.348 3.921 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c(OC)c1 40473840 UJESKAGWSGNCBV-PBHICJAKSA-N 315.413 3.724 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1ccsc1 40534470 JPOLYKHXJKEGQZ-HNNXBMFYSA-N 304.415 3.649 0 40 DHAB Cc1nn(C)c(C)c1Nc1ncc(C(F)(F)F)cc1Cl 48333736 FAULGJBDDDJKKA-UHFFFAOYSA-N 304.703 3.848 0 40 DHAB O=C(c1cnccn1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 57303280 JCAQMQDJFTXBHM-CQSZACIVSA-N 322.195 3.761 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N(C)C)cc3)n[nH]2)cc1 57477035 NGWNFXFBOUDASX-UHFFFAOYSA-N 320.396 3.703 0 40 DHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCO[C@H](c2ccccc2)C1 58168681 NEXDEUHXRIABAH-HIFRSBDPSA-N 315.417 3.502 0 40 DHAB COC(=O)c1cc(OCc2ccc(C)cc2)c2ccccc2n1 65033061 SJEOSBHXHLQZOF-UHFFFAOYSA-N 307.349 3.909 0 40 DHAB COc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2ccco2)C2CC2)cc1 65608613 IXDTUSULBZSATQ-ZWKOTPCHSA-N 311.381 3.583 0 40 DHAB COC(=O)Nc1cc(NC(=O)/C=C/c2ccsc2)ccc1F 66489391 KYDVQVLHENTQQU-GORDUTHDSA-N 320.345 3.717 0 40 DHAB Cc1cnccc1NC(=O)c1cc(F)ccc1Br 69559906 LTLNYXPGCOMDCG-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB Cc1cc(SC(C)(C)C)cnc1N1CCN(C(C)C)CC1 72222677 WEBNYFJIJUMZLK-UHFFFAOYSA-N 307.507 3.811 0 40 DHAB c1ccc2c(CN3CC(c4nc(C5CC5)no4)C3)cccc2c1 75156390 WVRVUNBJGBUYNM-UHFFFAOYSA-N 305.381 3.700 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(C(C)=O)c1 78700780 UTUKAFODDGIZPD-MRXNPFEDSA-N 315.344 3.824 0 40 DHAB CC(C)c1ccc(NC(=O)CCCn2cncn2)c(C(C)C)c1 79043657 WDFYLMVYCVDCRV-UHFFFAOYSA-N 314.433 3.944 0 40 DHAB O=C(c1ccncc1)N(CCC(F)(F)F)C1CCCCC1 84568302 CKTIBQBEQDNHMC-UHFFFAOYSA-N 300.324 3.809 0 40 DHAB O=C(CSc1ncccc1Cl)NCCC1CCCCC1 89774277 IXOXKCJKHZSUNM-UHFFFAOYSA-N 312.866 3.914 0 40 DHAB CC(=O)N(C)C1CCN(Cc2cccc(-c3ccccc3)c2)CC1 92538693 CBXLVFBCFJVVJG-UHFFFAOYSA-N 322.452 3.796 0 40 DHAB CC(=O)c1cc(I)cc(C(F)(F)F)c1 95764535 KHZYBONPCLMAAF-UHFFFAOYSA-N 314.044 3.513 0 40 DHAB O=C(Nc1ccccc1F)N(Cc1ccco1)C1CCOCC1 96025038 ADBLPEYCONYJJR-UHFFFAOYSA-N 318.348 3.632 0 40 DHAB COc1ccc(C[C@H](C)N[C@@H](C)c2ncc(C)s2)cc1OC 97017227 YCFROBBDZUUCHR-AAEUAGOBSA-N 320.458 3.751 0 40 DHAB CC[C@@H](c1ccccc1)[S@](=O)Cc1nnc(C(C)(C)C)o1 97083488 MEARQZRGIPEEDO-ZSEKCTLFSA-N 306.431 3.767 0 40 DHAB Cc1ncccc1CNc1ccc(Cl)c(C[S@](C)=O)c1 97371101 KVHNGPVIMOQMBZ-HXUWFJFHSA-N 308.834 3.534 0 40 DHAB COc1cc(C(=O)O[C@H]2C[C@@H]3C[C@]2(C)CC3(C)C)ccc1O 100297508 UYRQNTGJUQGOJG-HNJNHCNJSA-N 304.386 3.772 0 40 DHAB CCOC(=O)c1cc(Br)cc(OC(F)(F)F)c1 143996727 LCVUNPFILBXHDQ-UHFFFAOYSA-N 313.069 3.524 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 170387672 FFINUKKXZOELDM-XJKSGUPXSA-N 316.445 3.618 0 40 DHAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2)c1 224083026 UXCRSCVHAHNIFM-AWEZNQCLSA-N 313.397 3.803 0 40 DHAB CCCN(C)C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@H](C)O 225436178 PIYBXKXCPKRPMR-JTQLQIEISA-N 322.792 3.530 0 40 DHAB biogenic,in-vitro Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc2c(c1)OCO2 225752954 GVLHNLDCYZINMH-GFCCVEGCSA-N 314.410 3.771 0 40 DHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC)c2ccccc12 225817831 WANXPZBLGRHQFB-GOSISDBHSA-N 301.386 3.992 0 40 DHAB c1ccc(-c2cc(CN[C@H](c3cccnc3)C3CC3)[nH]n2)cc1 533921508 RWVRHHHJQFZROV-IBGZPJMESA-N 304.397 3.713 0 40 DHAB CCOC1(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)CCCC1 585081208 NFNTXBFLIJCPEZ-QGZVFWFLSA-N 301.430 3.660 0 40 DHAB Cn1c(=N)n(CCCOc2ccc(Cl)cc2)c2ccccc21 585655846 OADGLMPWROXUCM-UHFFFAOYSA-N 315.804 3.582 0 40 DHAB CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O 1001 IALAUUKEGMAATC-UHFFFAOYSA-N 317.388 3.992 0 40 DHAB CCN(CC)C(=O)n1c(Cc2ccccc2)nc2ccccc21 152120 FGFMJOQQKOVXIO-UHFFFAOYSA-N 307.397 3.937 0 40 DHAB CCN1C(=O)N(c2cccc3ccccc23)[C@](C)(O)CC1(C)C 262594 XZAGGIGPGKZWSH-LJQANCHMSA-N 312.413 3.979 0 40 DHAB CCOc1ccc(-c2nc(-c3ccc(C)nc3OC)no2)cc1 498602 CMAGDHHOLVIZKW-UHFFFAOYSA-N 311.341 3.514 0 40 DHAB Cc1cccc(N(Cc2cccc(Cl)c2)S(C)(=O)=O)c1 571927 JXNJGNZXJPSXDU-UHFFFAOYSA-N 309.818 3.615 0 40 DHAB CN(C)CCCNc1ncnc2scc(-c3ccccc3)c12 1746506 SRSDNTGHPXXIDW-UHFFFAOYSA-N 312.442 3.722 0 40 DHAB Cc1nn(C(=O)[C@@]2(C)CC2(Cl)Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 2140004 MCUSISQBVWANQN-XPLICSAQSA-N 313.228 3.711 0 40 DHAB biogenic Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2Cl)cc1 3231644 TYEDYWXBXHLXTN-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB O=C(Nc1ccc(Br)cc1F)c1ccccc1F 4666151 WRGYNJRRWLTZGW-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB Cc1cccc(NS(=O)(=O)C23CC4CC(CC(C4)C2)C3)c1 4698391 GZBGHEYNKNZTPU-UHFFFAOYSA-N 305.443 3.706 0 40 DHAB CCOc1ccc(OCCOc2ccc(NC(C)=O)cc2)cc1 5347073 HKUMSMSUNMQJNL-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB CCCCC[C@H]1c2c(cc(C)[nH]c2=O)O[C@@H](O)[C@@H]1CCCC 5385709 XYEMAWINWUXDNL-HBUWYVDXSA-N 307.434 3.864 0 40 DHAB Cc1cc(C)c(-c2ccc(=O)n(Cc3ccccc3)n2)cc1C 5410271 SYSYGZLTZHXBBS-UHFFFAOYSA-N 304.393 3.884 0 40 DHAB CCOC(=O)/C(=C\c1ccc(C(F)(F)F)cc1)N(CC)CC 5807509 KNECNOBGLUBBDQ-SDNWHVSQSA-N 315.335 3.951 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2)cc1C 6635011 AYRWVDPDBFQUDC-GFCCVEGCSA-N 317.772 3.780 0 40 DHAB CN1c2ccccc2C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 6831099 YIYWLKZMRODZNS-AWEZNQCLSA-N 307.180 3.872 0 40 DHAB CC[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 6910727 PLMBPIJTFICDGC-CYBMUJFWSA-N 305.381 3.825 0 40 DHAB Cc1ccc(C)c(NC(=S)NCCCN2CCC(C)CC2)c1 7027255 LGZAWAAOWULQCF-UHFFFAOYSA-N 319.518 3.712 0 40 DHAB O=c1cc(CSCc2ccccc2Cl)nc2sccn12 7144944 MNVSKCHTUSROSZ-UHFFFAOYSA-N 322.842 3.843 0 40 DHAB O=C(COc1ccccc1F)Nc1ccc(C(F)(F)F)cc1 7971022 BJRYJIHYHPCRAA-UHFFFAOYSA-N 313.250 3.862 0 40 DHAB CCc1noc(C)c1C(=O)N[C@@H]1CCSc2ccccc21 7987959 IYURGYIWFHZOLU-CYBMUJFWSA-N 302.399 3.512 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)N(C)Cc1ccccc1 8492575 CPRGWLNVYMUGEV-MRXNPFEDSA-N 313.397 3.511 0 40 DHAB COc1ccc(Br)cc1CNCc1ccccc1 8493027 MPLUOBNJGUCPEA-UHFFFAOYSA-N 306.203 3.748 0 40 DHAB O=C(NCCCN1CCc2ccccc21)c1ccccc1Cl 10113722 CESSGOQKGLPPPQ-UHFFFAOYSA-N 314.816 3.523 0 40 DHAB O=C(NCc1cccs1)c1ccc(Br)cc1F 12751748 SVAWHHPBGLCXHI-UHFFFAOYSA-N 314.179 3.580 0 40 DHAB Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1 12763476 OPEIHCSOOAASDQ-MRXNPFEDSA-N 311.381 3.805 0 40 DHAB CC(C)c1cccc2cc(CNCCc3ccccc3)c(=O)[nH]c12 13566544 HAYYKUWKXZDWKA-UHFFFAOYSA-N 320.436 3.984 0 40 DHAB Cc1ccc([C@H](C)NC(=O)COc2ccc(F)cc2)cc1C 14215804 VDXHQBWYKJRLGA-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB CCCCc1nnc(NC(=O)c2ccc3ccccc3n2)s1 14661020 XQZCZZJXHRYJTE-UHFFFAOYSA-N 312.398 3.681 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1c[nH]c2ccccc2c1=O 22233918 QHVZVTZKRNVFEM-UHFFFAOYSA-N 316.719 3.573 0 40 DHAB CC(=O)Nc1ccc(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1C 26994497 OBHDHFXGPFLAQJ-NSHDSACASA-N 316.405 3.807 0 40 DHAB Cc1ccc(C(=O)CSc2nc(N)c3ccsc3n2)s1 31787917 XBVUXEUZZVIQBQ-UHFFFAOYSA-N 321.452 3.618 0 40 DHAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H]1c1ccncc1 32907476 LZADFOPMAIDKEJ-MRXNPFEDSA-N 318.779 3.780 0 40 DHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 35476336 MNIDUKOIUHHKDE-MRXNPFEDSA-N 309.365 3.701 0 40 DHAB CCOCc1ccccc1CNC(=O)N[C@H](C)c1ccccc1 36392344 KOADGXRDTFWIJL-OAHLLOKOSA-N 312.413 3.784 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)n1c(C)nc2ccccc21 40488466 RWJWBVBTKZAYNR-UHFFFAOYSA-N 317.348 3.997 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(F)c2)cc1OC 45384533 JNOCOTXXZFPOCV-GFCCVEGCSA-N 317.360 3.642 0 40 DHAB CC(C)C(=O)N1CCC(NC(=O)CCCC2CCCCC2)CC1 45434152 IYBMTISDOACCGW-UHFFFAOYSA-N 322.493 3.500 0 40 DHAB O=C(Nc1ccccc1-n1ccnc1)[C@@H]1C[C@H]1c1ccc(F)cc1 52926410 QNJHHPGKNQKJFO-JKSUJKDBSA-N 321.355 3.754 0 40 DHAB CN(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 55506092 ZJSPDUVYMDTCKD-SFHVURJKSA-N 312.388 3.626 0 40 DHAB CC(C)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 57627017 RCQJQJVQUQTCPX-UHFFFAOYSA-N 321.774 3.674 0 40 DHAB C[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)nc(Cl)c1 62187660 GPWBCYIKAPPHSU-JTQLQIEISA-N 309.196 3.749 0 40 DHAB COc1cccc(CCCNC(=O)CCc2ccc(C)cc2)c1 66435539 CXRCDFVPHNSDGZ-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB O=C(Nc1ncc(-c2ccccc2)s1)OCC(F)(F)F 68585022 OXNVLYWTIHGCGP-UHFFFAOYSA-N 302.277 3.921 0 40 DHAB in-vitro CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1C[C@@H]1c1cccnc1 71884283 WLJSCOWBENDGHN-HUUCEWRRSA-N 318.779 3.636 0 40 DHAB C[C@H](Oc1ccc(-c2nnco2)cc1)c1nc(C(C)(C)C)no1 71913924 CUVDIGGJCNBFMF-JTQLQIEISA-N 314.345 3.557 0 40 DHAB CCSc1ccc(NC(=O)N[C@@H](C)c2c(C)noc2C)cn1 73187533 NAOWDZZBPWCTCU-VIFPVBQESA-N 320.418 3.681 0 40 DHAB Cc1ncsc1CNC(=O)NCc1oc2ccccc2c1C 75139963 OCAQKRRYMOLIPZ-UHFFFAOYSA-N 315.398 3.506 0 40 DHAB Cc1ncc(C[S@@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)s1 85225325 RGILLMGDOWZJGD-YBYGRFCBSA-N 312.460 3.747 0 40 DHAB CN(Cc1cccc(C(N)=O)c1)[C@@H](c1ccccc1)C(F)(F)F 95947675 RJDZXGBTEUUXNR-HNNXBMFYSA-N 322.330 3.521 0 40 DHAB Cc1cc([C@H](C)NC(=O)NC[C@@H](O)c2cccs2)c(C)s1 95960674 COOHSUNZZSTNMX-GXFFZTMASA-N 324.471 3.520 0 40 DHAB Cc1cc(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)ncn1 95973391 PDAOQWJJBYSSHU-SFHVURJKSA-N 309.413 3.769 0 40 DHAB COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@@H]2F)cc1 96171722 RUYPTORUZVIUHY-HUUCEWRRSA-N 303.358 3.819 0 40 DHAB CCN(CC)C(=O)NCCc1nc(-c2ccccc2)c(C)s1 96472794 QKFVHOLOQRIDQW-UHFFFAOYSA-N 317.458 3.712 0 40 DHAB CS[C@H]1CC[C@@H](NC2CCN(Cc3ccccc3)CC2)C1 96478667 HQJSCWFTKZSBSR-MSOLQXFVSA-N 304.503 3.525 0 40 DHAB CC(=O)Nc1ccccc1CNc1nnc(C2CCCCC2)o1 97045388 FROGAJZLQPVACR-UHFFFAOYSA-N 314.389 3.688 0 40 DHAB Cc1cccc(C)c1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O 101275516 BQQABZXIZOYFJL-INIZCTEOSA-N 322.408 3.664 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1cccc(Cl)c1 101348363 WSBSSVGLNHWXGQ-OAHLLOKOSA-N 312.756 3.562 0 40 DHAB O=C(N1[C@H]2CC[C@H]1COC2)C1(c2ccc(Cl)cc2)CCCC1 101466968 AFCXNPAQFBBIQL-HOTGVXAUSA-N 319.832 3.542 0 40 DHAB C[C@H](OC(=O)c1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1C 108320406 HTNKJHFZLVXDDT-HUBLWGQQSA-N 323.820 3.580 0 40 DHAB CC(=O)c1ccc(OCc2nc(-c3ccco3)no2)c(Cl)c1 119547313 YGQNTJVQQBLAPE-UHFFFAOYSA-N 318.716 3.765 0 40 DHAB OCCOc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 129486603 XCRHKACKZSNBDG-DGCLKSJQSA-N 303.324 3.591 0 40 DHAB Cc1ccc(C[C@@H]2CN(C)CC[C@@H]2NCc2ccccc2)cc1 220961151 XEDADXIAJZKBRM-RTWAWAEBSA-N 308.469 3.648 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(CC)cc2)c1 223545861 BPLPIKRPQWTNOE-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C 224599458 ZPDUCDOZCVGTGN-CYBMUJFWSA-N 307.434 3.794 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1C 225609746 UOVSMGZCVHYMSN-QGZVFWFLSA-N 321.417 3.872 0 40 DHAB Cc1ccc2sc(-c3ccc(NS(C)(=O)=O)cc3)nc2c1 93623 UVGMPEFHBQHEHR-UHFFFAOYSA-N 318.423 3.643 0 40 DHAB CN(C)c1c2c(oc(=O)c1Cl)-c1ccccc1SCC2 1612288 WRRVPXUFIQMFKZ-UHFFFAOYSA-N 307.802 3.674 0 40 DHAB COc1ccc(NC(=O)NCc2ccccc2Cl)c(OC)c1 1753621 PUIKUEUDEVXASS-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB S=C(c1ccccc1)N1CCN(c2ccccc2Cl)CC1 2022567 QVKAHOANJGNMNE-UHFFFAOYSA-N 316.857 3.838 0 40 DHAB O=[P@](O)(Cc1ccccc1)N1CCCC[C@@H]1c1cccnc1 2144815 DEMZADNRXPLNNZ-QGZVFWFLSA-N 316.341 3.994 0 40 DHAB biogenic CC[C@H](C(=O)Nc1sc(C)c(C)c1C(N)=O)c1ccccc1 3100687 UAYQOZUPCRIYCI-ZDUSSCGKSA-N 316.426 3.596 0 40 DHAB Cc1cc(C(=O)CCC(=O)NCc2ccccc2)c(C)s1 3371938 BZOFVPMSXBTGCA-UHFFFAOYSA-N 301.411 3.644 0 40 DHAB CCOC(=O)c1csc(Nc2nc3c(F)cccc3s2)n1 4137677 SRFNQQKLLVWOQN-UHFFFAOYSA-N 323.374 3.812 0 40 DHAB C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 4363107 CHNXZKVNWQUJIB-RDWCLUPISA-N 312.453 3.883 0 40 DHAB CC(C)[C@H]1[C@@H]2C[C@H]3[C@@]4(C)CCC[C@@](C)(CO)[C@@H]4CC[C@@]23[C@@H]1O 5104522 GZDLNFIMMVRZGR-CZPVDLIWSA-N 306.490 3.854 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OCC)cc1 5465519 BXTLMRIULUUUGP-UHFFFAOYSA-N 313.353 3.514 0 40 DHAB CC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl 6790108 IIQUBEWXZAWLFD-UHFFFAOYSA-N 305.736 3.863 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 7935353 PGNYKGFGWQZVJQ-NSHDSACASA-N 305.374 3.954 0 40 DHAB CSCCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 8012783 HXTNMWNGVIZJKQ-UHFFFAOYSA-N 311.410 3.922 0 40 DHAB C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 8086388 LNJATJFLSAAGCR-WCQYABFASA-N 300.427 3.658 0 40 DHAB CCOc1cccc2cc(C(=O)Nc3onc4c3CCC4)oc12 8976526 WQANVIINCRARBZ-UHFFFAOYSA-N 312.325 3.561 0 40 DHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCCCC2)cc1 10371648 MMZKXUHMCCLEBY-QXAKKESOSA-N 312.457 3.591 0 40 DHAB COc1ccc(OC)c(NC(=O)CCc2ccccc2Cl)c1 10457646 JNZGKPPDZGJYEF-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 10994989 ZXOKEBQVNXRFPV-UHFFFAOYSA-N 305.377 3.957 0 40 DHAB CCC[C@H]1c2cccn2CCN1C(=O)c1nc2ccc(C)cc2[nH]1 12147485 YGGBUMQBDUGJPL-KRWDZBQOSA-N 322.412 3.670 0 40 DHAB CCC(CC)NC(=O)N[C@@H](C)c1ccccc1Br 12885586 JWMQQRFPNQCPDT-JTQLQIEISA-N 313.239 3.998 0 40 DHAB Cc1ccc(Cn2nc(C)c(C(=O)NCCC(C)C)c2C)cc1 12920025 YNVSFCMXGRPYLV-UHFFFAOYSA-N 313.445 3.633 0 40 DHAB O=S(=O)(NCc1cccs1)c1ccc(Cl)c(Cl)c1 12938316 RTYDVIHSZYFJKL-UHFFFAOYSA-N 322.238 3.533 0 40 DHAB CN(Cc1ccco1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 13005956 MWXXJBNZPWACOC-UHFFFAOYSA-N 308.381 3.912 0 40 DHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 13689012 KUCZRENLNMJSQO-INIZCTEOSA-N 319.404 3.966 0 40 DHAB CCOc1c(Cl)cc(C(=O)N[C@H](C)c2ccco2)cc1OC 14242812 NBBZWUCWDPASTD-SNVBAGLBSA-N 323.776 3.831 0 40 DHAB CC(C)(C)c1ccccc1OCC(=O)N1CCc2ccccc21 14666302 MIPZCPONUSTCCH-UHFFFAOYSA-N 309.409 3.952 0 40 DHAB Cc1ccc(-c2nc(CC(=O)Nc3ccncc3)cs2)cc1 17585638 GITZPYAIDMDYOH-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB Cc1ccc(Oc2ncc(CN3C[C@H](C)O[C@@H](C)C3)s2)cc1 20219032 JOIJKJHWKVKTQP-KBPBESRZSA-N 318.442 3.853 0 40 DHAB O=C(CCOc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 23114096 IYWKMYITHYPKQE-GOSISDBHSA-N 313.372 3.788 0 40 DHAB CCc1cc(C(=O)NCCCOc2ccccc2F)sc1C 24656332 TZBMVSWRNNBQFS-UHFFFAOYSA-N 321.417 3.957 0 40 DHAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccccc2C)n1 25013554 DOVHAPQXZHCSCY-UHFFFAOYSA-N 319.408 3.979 0 40 DHAB C[C@@H](NC(=O)C1(c2ccccc2)CCC1)c1ccc2c(c1)OCO2 25584354 ISUDDLZWWLXVJL-CQSZACIVSA-N 323.392 3.714 0 40 DHAB CCOc1cccc(C(=O)Nc2nc3ccccc3n2CC)c1 27923376 IPKJNGQOYDEEQH-UHFFFAOYSA-N 309.369 3.707 0 40 DHAB Cc1ccc(C(=O)Nc2cnn(Cc3cccc(C)c3)c2)cc1 28574423 OIBAARZTKIBHPA-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB O=C(CCC1CCCC1)NCc1ccc(Cn2ccnc2)cc1 30221087 GQYALUYIMXXMDM-UHFFFAOYSA-N 311.429 3.518 0 40 DHAB CN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(F)cc1 30980090 AZCMVHOUBBTZJA-UHFFFAOYSA-N 324.758 3.960 0 40 DHAB O=C(N[C@@H]1CCSc2ccccc21)c1cc(C2CC2)on1 32338999 OOKNPHHDVCBTTD-GFCCVEGCSA-N 300.383 3.519 0 40 DHAB CN(C)CCCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 36613356 FLIUKRTYWAXKBE-UHFFFAOYSA-N 324.350 3.584 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2ccccc2C)on1 42800533 WCLYVXSVWVJVLI-GDBMZVCRSA-N 313.401 3.899 0 40 DHAB Cc1ccc(OCCCC(=O)N2CCc3ccccc3C2)cc1 50080555 OWMQGBDXTYCBMI-UHFFFAOYSA-N 309.409 3.739 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1OC 51354137 QTISXBZHBFDSFA-UHFFFAOYSA-N 300.358 3.965 0 40 DHAB CCCCS[C@H](C)C(=O)Nc1cccc(CN(C)C(C)=O)c1 57472073 UHVRMMKFOZSLHO-CYBMUJFWSA-N 322.474 3.525 0 40 DHAB CC[C@](C)(O)CNc1ncnc2sc(-c3ccccc3)cc12 60349532 HKGGAYFFQPLKNY-KRWDZBQOSA-N 313.426 3.931 0 40 DHAB CC(=O)NCc1ccc(-c2csc(NCC3CCC3)n2)s1 63630318 OKQWICAVDJVMPW-UHFFFAOYSA-N 321.471 3.720 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@]2(C)CC2(Cl)Cl)s1 71883163 QEELLKWSCAVASG-PRHODGIISA-N 321.273 3.863 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C 72214724 ZYIOUUXCLLIKAQ-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)C)n2)n1 72300346 LVDGKXCYWYWLIU-CYBMUJFWSA-N 318.446 3.665 0 40 DHAB O[C@@H]1Cc2cccc(NCc3cc4ccccc4nc3Cl)c2C1 75094712 NMSDOOPASTYZIQ-OAHLLOKOSA-N 324.811 3.960 0 40 DHAB C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1nccs1 79032461 BAEJQSBATGCJBT-SNVBAGLBSA-N 324.833 3.831 0 40 DHAB COc1c(Cl)cc(Cl)cc1CNc1ccc2n[nH]nc2c1 83915195 DCQDYHQQZWNETE-UHFFFAOYSA-N 323.183 3.885 0 40 DHAB Clc1ccc(-c2nc(CSC[C@H]3CCCO3)no2)cc1 84421722 DUNHNAJCXIVPKZ-GFCCVEGCSA-N 310.806 3.802 0 40 DHAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)/C=C/c1cccc(Cl)c1 89895048 FJFNDICVMPSSKF-HBCWJJAPSA-N 319.788 3.575 0 40 DHAB COc1cccc2c1CC[C@H]2N[C@@H](C)c1cccc(NC(C)=O)c1 95419635 ASNMCXODCAGPAH-ORAYPTAESA-N 324.424 3.992 0 40 DHAB C[C@@H](NCCc1nccn1Cc1ccccc1)c1ccsc1 95420009 KFHKSIOKKIIYEL-OAHLLOKOSA-N 311.454 3.886 0 40 DHAB Cc1cc(NCc2ccc(CO)o2)nn1-c1ccc(Cl)cc1 95989218 WCRJXBRBYNFTRW-UHFFFAOYSA-N 317.776 3.532 0 40 DHAB COc1ccc(CN2CC[C@]3(CCCN(CC(C)C)C3)C2)cc1 96215266 XOLJLRIEHGBXJO-FQEVSTJZSA-N 316.489 3.639 0 40 DHAB Cc1ccc(-c2ccc(C(=O)O[C@@H](C)c3nnc(C)o3)s2)o1 97081425 NFDVWXUCVMKYSF-VIFPVBQESA-N 318.354 3.926 0 40 DHAB O=C(NCc1ccc2ncccc2c1)Nc1ccc2c(c1)COC2 193875167 YENXYONCQSGLEJ-UHFFFAOYSA-N 319.364 3.587 0 40 DHAB O=C(/C=C/c1ccco1)N1CCS[C@@H](c2ccco2)CC1 207004111 NOSRZWKAXXUFAR-LLYBFZRZSA-N 303.383 3.593 0 40 DHAB COc1cc(OC)cc(-c2nc3cc(OC)cc(Cl)c3[nH]2)c1 216916799 XZYQNQZTJXORJD-UHFFFAOYSA-N 318.760 3.909 0 40 DHAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)Cc1ccccc1 226253785 IZKKRGVUWRCISQ-OAHLLOKOSA-N 323.440 3.829 0 40 DHAB CCOC(=O)[C@]12CC=CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC2 257240679 HUQNCDPHZPUAEO-RDTXWAMCSA-N 323.433 3.676 0 40 DHAB COC1CCC(N(C)Cc2c(C(=O)O)oc3ccccc23)CC1 571648653 AKNMEJRORSZAGG-UHFFFAOYSA-N 317.385 3.520 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2CC(=O)O)CC1 953109370 AXBOOEJAYPQSSH-CYBMUJFWSA-N 311.422 3.669 0 40 DHAB O=Cc1nc(Br)c(-c2ccc(Cl)cc2Cl)[nH]1 1857794794 KIKLPSRJZZTNHL-UHFFFAOYSA-N 319.973 3.959 0 40 DHAB C[C@@H]1CCc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2C1 189364 APFDZGGENIGECX-LLVKDONJSA-N 315.442 3.586 0 40 DHAB CCN(CC)c1ccc([C@H](O)c2nc3ccccc3n2C)cc1 273266 ULWCCPQNNXBOIA-SFHVURJKSA-N 309.413 3.501 0 40 DHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cccc(O)c3)c2C1 426623 JIVYSSRXEREDAF-LLVKDONJSA-N 314.385 3.784 0 40 DHAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccccc1 807594 ZPUKJYHVXHPTQB-CQSZACIVSA-N 321.376 3.915 0 40 DHAB CC(=O)[C@H](C)Sc1cc(C)nc2c(-c3ccccc3)cnn12 2336507 KOCWVEQLLQYBRN-ZDUSSCGKSA-N 311.410 3.774 0 40 DHAB S=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2 2766958 PSDPRLBHTXHJAS-UHFFFAOYSA-N 306.774 3.878 0 40 DHAB Cc1ccc(C)c(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCC3)c1 2966278 GAXYTPRNSUWQIW-NRFANRHFSA-N 321.444 3.564 0 40 DHAB O=c1cc(CN2CCc3ccccc32)c2cc3c(cc2o1)CCC3 3538082 CYSFNARQSPOKAR-UHFFFAOYSA-N 317.388 3.844 0 40 DHAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2CNC(=S)Nc1ccccc1 3846326 VTDKMGFGTDCAQQ-LBTNJELSSA-N 316.470 3.614 0 40 DHAB CCN(Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)C(C)C 4230402 YIACVEFLTUJTMM-MRXNPFEDSA-N 315.465 3.647 0 40 DHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 4301301 XUCBUVYVYSGRRX-SOLBZPMBSA-N 321.392 3.650 0 40 DHAB c1ccc(CN2CCC(Nc3ncnc4sccc34)CC2)cc1 4324100 VHNZPOZLUIMVIB-UHFFFAOYSA-N 324.453 3.768 0 40 DHAB Cc1ccc(CNC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 4722509 AEDITHDSBKOKJF-UHFFFAOYSA-N 310.397 3.520 0 40 DHAB COc1ccc2oc(=N)c(C(=O)Nc3cccc(C)c3C)cc2c1 4949737 XDAVMTSDKUXLCA-UHFFFAOYSA-N 322.364 3.790 0 40 DHAB CCc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1 5001112 AIIWONHOFAEYDS-UHFFFAOYSA-N 317.345 3.752 0 40 DHAB CCN(c1ccc(NC(=O)c2c(C)noc2C)cc1)C(C)C 5200322 JDMBIJBMEDWVTB-UHFFFAOYSA-N 301.390 3.778 0 40 DHAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1Cl 5993663 SCJBKAAOYBGJOE-ZCFIWIBFSA-N 322.743 3.517 0 40 DHAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2ccccc2c1 8300450 HHOVJIACWDUNEP-ZAAXVRCTSA-N 322.452 3.690 0 40 DHAB biogenic,in-vitro Clc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1 8764161 JXBQZJFEMKROTK-UHFFFAOYSA-N 301.762 3.965 0 40 DHAB COc1cccc2cc(C(=O)Nc3cccc(C(C)=O)c3)oc12 8960609 IXIDETFGORIWAH-UHFFFAOYSA-N 309.321 3.896 0 40 DHAB C[C@H]1Sc2ccc(C(=O)Nc3ccccc3F)cc2NC1=O 9377198 IJHQGBFIQVXHTJ-SECBINFHSA-N 316.357 3.511 0 40 DHAB COc1ccc(NC(=O)CCc2ccc(Cl)cc2)c(OC)c1 10747709 KVYVVDOCXNKXFF-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB Cc1cc([C@H]2CCCCCN2C(=O)c2cccc(F)c2)on1 12133857 KWUJEXISQOLWHX-OAHLLOKOSA-N 302.349 3.880 0 40 DHAB O=C(NCc1cccnc1)c1ccc(SC(F)(F)F)cc1 12527264 BFJNHKIQMLUYNS-UHFFFAOYSA-N 312.316 3.624 0 40 DHAB Cn1ncc2c(Oc3ccc4c(c3)[nH]c3ccccc34)ncnc21 12745280 PUHYUJCXLLBHNA-UHFFFAOYSA-N 315.336 3.790 0 40 DHAB COc1ccc2cc(CNc3ccc(C)c(F)c3)c(=O)[nH]c2c1 13561421 FXJXJKFCHVPXBH-UHFFFAOYSA-N 312.344 3.596 0 40 DHAB CCN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 14016148 MRGYQWREQHUAOS-INIZCTEOSA-N 318.804 3.638 0 40 DHAB CCOC(=O)/C=C(/C)Nc1cc2c(C)c(C)n(C)c2cc1OC 15320003 OGYZWYPSLYESJQ-FLIBITNWSA-N 316.401 3.683 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)c(OC)c1 15564419 VAQKXPAPFQLDQB-XBXARRHUSA-N 319.307 3.634 0 40 DHAB Cc1csc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n1 16469858 WCKYKNLICYNSLL-UHFFFAOYSA-N 300.305 3.652 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)cc1C 20393745 AMFIGZHCWJWDCE-UHFFFAOYSA-N 317.772 3.787 0 40 DHAB Cc1cccc(OCCNC(=O)/C=C/c2ccccc2Cl)c1 21785106 ZAZJZAXDQPCVDN-MDZDMXLPSA-N 315.800 3.857 0 40 DHAB CC(C)(C)c1ccc(OCCNC(=O)c2cccs2)cc1 21904197 ZKQQTLMBHVKHMJ-UHFFFAOYSA-N 303.427 3.854 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24929602 OEENRHDGSQZCNN-LDYMZIIASA-N 308.353 3.607 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cc2c(C)nn(C)c2nc1C 29737240 QOOORWPCFXQPEL-UHFFFAOYSA-N 322.412 3.708 0 40 DHAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CCCO1 30392162 ACFAHZKDFXRSQW-QGZVFWFLSA-N 315.344 3.522 0 40 DHAB Cc1ccc(/C=C/C(=O)NCc2ccccc2-n2ccnc2)cc1 30854707 MDWBXIKAHFCNRP-ZHACJKMWSA-N 317.392 3.510 0 40 DHAB Cc1ccc(O)c(C(=O)N(C)Cc2nc3ccccc3s2)c1 32740979 GIXIDLDBXJCAPM-UHFFFAOYSA-N 312.394 3.583 0 40 DHAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cc2ccccc2o1 32768706 DRDDIPIERAKJBZ-SGTLLEGYSA-N 307.349 3.614 0 40 DHAB O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCC1 40461944 GTMUVOATCOBRGT-UHFFFAOYSA-N 323.421 3.701 0 40 DHAB CC[C@@H](C)c1noc([C@@H]2CCCCN2C(=O)C2CCCC2)n1 41123387 OZEMYEUYJLZZHN-OCCSQVGLSA-N 305.422 3.827 0 40 DHAB Cc1ccc(CN(C(=O)Nc2nnc(C3CC3)s2)C2CC2)o1 44972429 KGCYFUIMCUGTHW-UHFFFAOYSA-N 318.402 3.513 0 40 DHAB O=C(c1ccco1)N(Cc1cccc(Br)c1)C1CC1 45197066 BXHBXDSTTMQDBD-UHFFFAOYSA-N 320.186 3.847 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)Cn2cc(C)c3ccccc32)on1 50581159 ASKGCEUBESGJGE-KRWDZBQOSA-N 323.396 3.610 0 40 DHAB CCN(CC)Cc1ccc(C(=O)N[C@H]2CCc3ccccc32)o1 53476524 FLLLRUXCUUSFJU-KRWDZBQOSA-N 312.413 3.539 0 40 DHAB CCC(CC)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 58407173 RUAMOLDZCOBHEG-CQSZACIVSA-N 308.491 3.513 0 40 DHAB O=C(CSC[C@H](O)c1ccccc1)c1c[nH]c2ccccc12 58429901 VJDINQZILYHPER-KRWDZBQOSA-N 311.406 3.817 0 40 DHAB Cc1ccccc1SCC(=O)c1ccc2c(c1)CCC(=O)N2 60430391 IXCRQFZRYGWGAS-UHFFFAOYSA-N 311.406 3.855 0 40 DHAB CCc1nccn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 65224668 PJOUHKZGIOCPGT-UHFFFAOYSA-N 322.290 3.563 0 40 DHAB C[C@@H](Nc1cc(Cl)nc(N)n1)C12CC3CC(CC(C3)C1)C2 69490723 FDFLCCAHDHLZIK-LDWCXNJISA-N 306.841 3.729 0 40 DHAB CC(C)(C)OC(=O)N1C=C(C(=O)O)[C@@H](c2ccc(Cl)cc2)C1 71621924 DRFIEAMQJRVINN-GFCCVEGCSA-N 323.776 3.643 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1 72328224 UQQYOXULQYCWAZ-GFCCVEGCSA-N 309.344 3.707 0 40 DHAB O=C(CN1CCC(c2cccs2)CC1)Nc1ccccc1F 75172430 UMACIHOKCPIYJI-UHFFFAOYSA-N 318.417 3.705 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 80344715 MALKJZNCFVSTNE-HZPDHXFCSA-N 323.392 3.817 0 40 DHAB CC[C@H](COc1cccc(C)c1)NC(=O)c1cccc(OC)c1 80344824 WBTWSGUZUIJXCR-MRXNPFEDSA-N 313.397 3.591 0 40 DHAB CCOc1ccc(-c2nc(-c3ccoc3C)n[nH]2)cc1OCC 85385103 IDOAFBBOHFPCCV-UHFFFAOYSA-N 313.357 3.838 0 40 DHAB Cc1nnc(-c2ccccc2C(=O)Nc2ccc(Cl)cc2)o1 89736431 FKGHDVQBAPGYCF-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB COc1c(Cl)cccc1NCc1c[nH]nc1-c1cccnc1 92144583 PBCPCFHMLOAGOB-UHFFFAOYSA-N 314.776 3.746 0 40 DHAB CC[C@@H](C)CN(C)C(=O)Cc1nc(-c2ccccc2)oc1C 95957246 BJBIKAGIOLAGNF-CYBMUJFWSA-N 300.402 3.697 0 40 DHAB COc1cccc([C@@H]2C[C@@H]2C(=O)NC(C)(C)C2CCCC2)c1 95978726 IMXGDNFUYVYFJJ-IRXDYDNUSA-N 301.430 3.884 0 40 DHAB C[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)C1CCOCC1 97045915 RRNIAJMEBHVXJR-CYBMUJFWSA-N 314.385 3.759 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Cc2ccccc2Cl)cc1 139680532 AJUAMALYYMMUHV-GFCCVEGCSA-N 303.789 3.769 0 40 DHAB Cc1cc(C)cc(OCCNC(=S)Nc2ccc(F)cc2)c1 224113030 WUAXFLJAGKNZDM-UHFFFAOYSA-N 318.417 3.808 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1 224973009 UQHGFEUCVJPKCB-UHFFFAOYSA-N 321.467 3.850 0 40 DHAB O=C(O)c1cccc2c1CCN(CCc1ccccc1Cl)C2 565786483 BEAVMZCHXWZGIJ-UHFFFAOYSA-N 315.800 3.639 0 40 DHAB O[C@@H]1c2ccccc2OC[C@@H]1NCc1cccc(CC2CCC2)c1 1560490598 BQHRBQZMIDXUOD-PZJWPPBQSA-N 323.436 3.613 0 40 DHAB Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccc(Cl)cc1 117097 UPKMMWQBGWXLHN-UHFFFAOYSA-N 323.787 3.960 0 40 DHAB aggregator O=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1Cl 171767 DJEQWVYOVPWYAH-BQYQJAHWSA-N 322.842 3.928 0 40 DHAB COc1ccc2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 339787 OYTBCJJDIBEHRM-UHFFFAOYSA-N 316.357 3.625 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C 354492 QEMOAVTWVQYYHI-GOSISDBHSA-N 322.408 3.664 0 40 DHAB CCOC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c12 414469 YALCKWZZCQCGDS-UHFFFAOYSA-N 322.455 3.841 0 40 DHAB CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 571707 MMPUHNVJVQSTKD-UHFFFAOYSA-N 313.831 3.863 0 40 DHAB COc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 1332174 CCKJVTMLIIVXKM-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB CCOC(=O)CCCCCC(=O)c1cc(F)c(F)c(F)c1F 2580529 KFVXZIZFESYBMM-UHFFFAOYSA-N 320.282 3.939 0 40 DHAB COc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1OC(F)F 2793279 JPPLANROKQDBRB-QWRGUYRKSA-N 313.344 3.700 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 3422989 ZEJMTXQCPXWWTB-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB O=C(CSc1nc2ccccc2o1)NCCC1=CCCCC1 3465782 SNMKBXHJPURYRA-UHFFFAOYSA-N 316.426 3.927 0 40 DHAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1ccccc1 5009943 NYNIHEOBKJLRKI-UHFFFAOYSA-N 319.389 3.568 0 40 DHAB Cc1cc(C)cc(NC(=O)COc2cccc3cccnc23)c1 6127959 ZUSQDPHTWUEYLJ-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB O=c1cc(CSc2ccccc2F)c2ccc(O)cc2o1 6402300 ZIUGUDNZOSRBCB-UHFFFAOYSA-N 302.326 3.930 0 40 DHAB COc1ccccc1-c1nnc(S)n1-c1ccc(Cl)cc1 6476601 KELXLLSHSRLCCS-UHFFFAOYSA-N 317.801 3.885 0 40 DHAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C 6787494 PHKQYMXUJWJNNT-NHCYSSNCSA-N 317.355 3.561 0 40 DHAB COc1ccc(NC(=O)c2cc3c(F)cccc3s2)cn1 6822640 XVLNQXOAJFPORH-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1cccc(F)c1 7580149 FYYTVLUKGNBALX-UHFFFAOYSA-N 317.389 3.605 0 40 DHAB CC[C@H](C)[C@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 8326923 FMEQBXKNQUWRIY-WMZOPIPTSA-N 318.461 3.766 0 40 DHAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN1CCCCCC1 8717516 XPXBDYFLJZHCHQ-UHFFFAOYSA-N 313.445 3.691 0 40 DHAB O=C(Cc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 9521584 IFIWZZWOLXBBIL-UHFFFAOYSA-N 324.163 3.903 0 40 DHAB Cn1ncc2c(Oc3ccc(-c4ccccc4)cc3)ncnc21 12484837 RIGQEBVWYQPHEI-UHFFFAOYSA-N 302.337 3.823 0 40 DHAB O=C(NCCc1ccco1)c1ccccc1Nc1ccccc1 12607313 UKCFXBLCNAEPHN-UHFFFAOYSA-N 306.365 3.996 0 40 DHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C)cc1 12886856 LBCBTFLFAXQMQV-IBGZPJMESA-N 324.424 3.779 0 40 DHAB Cn1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 12895101 CKWVPWYKDJYDQS-UHFFFAOYSA-N 303.793 3.524 0 40 DHAB Cc1noc(C)c1CSCCC(=O)Nc1ccccc1F 13019536 RZOVBGWJFSCBSX-UHFFFAOYSA-N 308.378 3.693 0 40 DHAB CC(=O)Oc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 13735931 ZWRAZVPGSLZXSR-UHFFFAOYSA-N 316.259 3.664 0 40 DHAB CCc1ccc(C(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1 15180644 CHRHHGPXVUPQJA-UHFFFAOYSA-N 322.364 3.964 0 40 DHAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cccs1 17169964 MAARNQLODIFLDV-UHFFFAOYSA-N 320.320 3.611 0 40 DHAB Cc1cc(-n2c(C)cc(C(=O)NC3CCCCCC3)c2C)no1 22019578 RFJMCBCEPUPNTF-UHFFFAOYSA-N 315.417 3.843 0 40 DHAB Clc1ccc2c(c1)CCc1cccnc1[C@@H]2C1=CCNCC1 22061508 ADSCCBORDDPTRQ-GOSISDBHSA-N 310.828 3.885 0 40 DHAB in-vitro CCc1ccc(CCC(=O)Nc2cccc(-c3nnco3)c2)cc1 24735666 JLLUEBLZWKIZAF-UHFFFAOYSA-N 321.380 3.870 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 29143818 BQJMVRPUOYGTGI-LBPRGKRZSA-N 319.788 3.892 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1C 32476012 QWLKKBJSXUKKDY-RDJZCZTQSA-N 311.425 3.991 0 40 DHAB CCN(C(=O)/C=C/c1ccc2c(c1)OCCCO2)c1ccccc1 32714745 IPKAVDBIPIRTOV-ZRDIBKRKSA-N 323.392 3.914 0 40 DHAB Fc1ccc(OCc2nccn2C(F)F)c(Br)c1 36804799 JJVIRPROTYYDEN-UHFFFAOYSA-N 321.096 3.759 0 40 DHAB Cc1nc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2nc1C 40015964 ZDWITFHUGBZVJQ-QGZVFWFLSA-N 317.392 3.664 0 40 DHAB CC(=O)Nc1ccc(CC(=O)N2CCCCc3ccccc32)cc1 40133926 NYKUBCKWFPHCRD-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB O=S(=O)(c1cccs1)N(C1CC1)[C@H]1CCc2ccccc21 40155808 RPYOLXVOHZNCMQ-HNNXBMFYSA-N 319.451 3.589 0 40 DHAB CCCOc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1 41155796 HYKTXISALXHOIN-CQSZACIVSA-N 311.381 3.903 0 40 DHAB COc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2C)cc1 49923246 WQORESNTCYBXGC-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB CCc1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 51315938 CKSVMVUFKJCESS-UHFFFAOYSA-N 311.410 3.631 0 40 DHAB CCCc1ncc(CNC2(c3ccc(Cl)cc3)CC2)cn1 57823142 UISUPFZYZNZGNK-UHFFFAOYSA-N 301.821 3.861 0 40 DHAB CC(C)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 58279065 UVDPBMVLXDBSDA-UHFFFAOYSA-N 306.749 3.780 0 40 DHAB Cc1ccc([C@H](C)NC(=O)COc2ccc(F)cc2)c(C)c1 59351592 ZCFBLUVXCQHFNK-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB Cc1ccc([C@H]2C[C@@H]2C(=O)N(Cc2ccncc2)C2CC2)s1 65607083 QISHWZOJYWPSCG-HOTGVXAUSA-N 312.438 3.746 0 40 DHAB CN(C)Cc1cccc(NC(=O)c2sccc2C2CC2)c1 67162523 XZDNQNCBUDCFMQ-UHFFFAOYSA-N 300.427 3.939 0 40 DHAB CC(C)c1noc([C@H](C)N2CCc3[nH]c4ccccc4c3C2)n1 69772017 UYRYIPGTKLVGAF-LBPRGKRZSA-N 310.401 3.794 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)c(C)o1 71850051 HMJUQDGSNVXAIE-LBPRGKRZSA-N 309.369 3.778 0 40 DHAB COc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c(C)n1 72218113 JRNFWACZUUGZSX-QGZVFWFLSA-N 310.397 3.766 0 40 DHAB CC(C)Oc1cc(C(=O)NCc2cccnc2)cc2occc12 72240191 JUFZKIMCAZCZGZ-UHFFFAOYSA-N 310.353 3.545 0 40 DHAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1sccc1C1CC1 75136671 HDVYJOWPBCLOST-UHFFFAOYSA-N 310.382 3.663 0 40 DHAB COC(=O)c1sccc1CSc1nncc2ccccc12 83891573 UTVQDMDJNWPNJS-UHFFFAOYSA-N 316.407 3.770 0 40 DHAB OCc1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)o1 88765504 CKYOVJSKWXHHOV-GOSISDBHSA-N 303.377 3.932 0 40 DHAB O=C(c1ncoc1-c1cccs1)N(C1CCCC1)C1CC1 89800044 PUZDRGPREBLAPH-UHFFFAOYSA-N 302.399 3.950 0 40 DHAB CC(C)[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccn1 89801820 PYOAZLPTVHSORK-IRXDYDNUSA-N 301.434 3.753 0 40 DHAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccnc2ccccc12 89930442 DGYVGRUQCPNQAI-KRWDZBQOSA-N 321.405 3.994 0 40 DHAB COc1ccc(Cl)cc1C(=O)CC1(CC(=O)O)CCCC1 95634054 UOJNDJVFVXRQBR-UHFFFAOYSA-N 310.777 3.957 0 40 DHAB CC(C)[C@H](NC(=O)N(C)C[C@@H]1CCOC1)c1ccc(Cl)cc1 95963998 WEXDZBRWGNMWNT-BBRMVZONSA-N 324.852 3.715 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1C(C)C 95981246 SUQOARDAWXZKJD-VXGBXAGGSA-N 304.434 3.767 0 40 DHAB Cc1cccc(NC(=O)c2ccn(-c3ccc4ccccn34)n2)c1 96155313 GEUHKVOYDKDOSI-UHFFFAOYSA-N 316.364 3.686 0 40 DHAB C[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 96241569 DXTXYANOAPJQDB-HNNXBMFYSA-N 306.409 3.763 0 40 DHAB C/C(=C\C(=O)NCCc1coc(-c2ccc(C)cc2)n1)C1CC1 96257346 DDBWJAGOIKKYCW-SDNWHVSQSA-N 310.397 3.665 0 40 DHAB CCc1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc(C)n1 97002829 SNEIKQGOBJIVBN-GHMZBOCLSA-N 315.339 3.655 0 40 DHAB CCOc1cc(C(=O)N(C)C)ccc1NCc1cc(C)oc1C 97051389 NCOXJBSIKKMTCF-UHFFFAOYSA-N 316.401 3.609 0 40 DHAB COc1ccccc1[C@@H]1C=C(c2ccc(C)cc2)N=C2N=NNN21 100622473 DXHCLZFIJIFBNJ-INIZCTEOSA-N 319.368 3.643 0 40 DHAB CC(=O)n1cc([C@@H]2OC(=O)C(C)=C(O)C2(C)C)c2ccccc21 100754226 CDLCKCRMKMNNOY-INIZCTEOSA-N 313.353 3.758 0 40 DHAB biogenic C[C@H](NC(=S)NCCc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101616586 VZCDYBHTQQUKMM-RKTXRCNFSA-N 302.487 3.518 0 40 DHAB Cc1ccc(-c2nnsc2C(=O)N(C)Cc2ccccc2)cc1 225775225 JFLQFUIQQVTTOA-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3ccccn3)C2)cc1 238879260 OVNBOHWONIHAKG-KRWDZBQOSA-N 324.424 3.673 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 244914772 BDLXIITXLGKSAF-ZDUSSCGKSA-N 309.365 3.802 0 40 DHAB Cc1cc(-c2nnc(CN(C)[C@H]3CCCC[C@H]3C)o2)c(C)o1 253370193 NPLHIJKKNIZWBC-ABAIWWIYSA-N 303.406 3.957 0 40 DHAB O=C(c1cccc(F)c1F)N1CCC[C@H](Cc2nccs2)C1 257255819 KIZMGEQBASRXNN-LLVKDONJSA-N 322.380 3.516 0 40 DHAB Cc1ccc2sc(Cn3nc(C(F)(F)F)nc3C)nc2c1 530109716 AZZSFDFIPZQOMU-UHFFFAOYSA-N 312.320 3.572 0 40 DHAB Cc1cccc2c1[C@@H](C)C[C@@H]2Cc1nc(-c2ncccn2)no1 582451749 YDXQPTBPICVILL-QWHCGFSZSA-N 306.369 3.669 0 40 DHAB COc1ccc([C@@H]2Cn3ccnc3CN2C2CCCCC2)cc1 2037846597 SRTLMVGPCBEMGG-SFHVURJKSA-N 311.429 3.781 0 40 DHAB FC(F)(F)c1cccc(NC(=S)NCc2ccncc2)c1 79301 JCQQTISWCKGPHY-UHFFFAOYSA-N 311.332 3.587 0 40 DHAB O=C(COc1ccc2ccccc2c1)N1CCc2ccccc2C1 832470 TXKUWKYWCCHYNY-UHFFFAOYSA-N 317.388 3.804 0 40 DHAB O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccncc1 1661651 DNDCOGGKUHMNKS-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB CCCCC(=O)NC(=S)Nc1nc(-c2ccccc2)cs1 1926688 QCOXOOPMYVHKQU-UHFFFAOYSA-N 319.455 3.813 0 40 DHAB CCOc1ccccc1NC(=O)CNc1cc(F)ccc1C 3398460 UAWAPQGDZVCDRM-UHFFFAOYSA-N 302.349 3.583 0 40 DHAB C[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 3398583 NFNVXNDJQZMHJH-NSHDSACASA-N 303.745 3.524 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 4702933 PLAVOPHKJOMCNG-ZIAGYGMSSA-N 302.418 3.543 0 40 DHAB CCOc1ccc([C@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 4934811 MNYJQKCSJIWMBZ-TXPKVOOTSA-N 303.446 3.631 0 40 DHAB Clc1cnc2[nH]c(SCCOc3ccccc3)nc2c1 5264431 LEKNDQOOKKEWLX-UHFFFAOYSA-N 305.790 3.782 0 40 DHAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2O)[nH]n1 5343804 ROOMFRFYZKLDIB-UHFFFAOYSA-N 307.353 3.651 0 40 DHAB Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc12 5955546 DUMVNWNVKKMIMH-UHFFFAOYSA-N 324.332 3.635 0 40 DHAB biogenic O=C(CCc1ccccc1)Nc1nnc(-c2ccccc2)s1 6551697 AGACXINCEXCION-UHFFFAOYSA-N 309.394 3.776 0 40 DHAB CC[C@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1 6745879 JGGVVSAATUGEFJ-SFHVURJKSA-N 310.397 3.867 0 40 DHAB Cc1ccccc1C(=O)OCc1cc(Cl)cc2c1OCOC2 6914796 YLRAHNZMCALCNW-UHFFFAOYSA-N 318.756 3.872 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(C)cc3)ccc21 9134241 FXHDZOTXFNGHDW-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB CC(C)CCN1C(=O)CCc2cc(NC(=O)C(C)C)ccc21 9164845 CXAGUTPRWNBHIG-UHFFFAOYSA-N 302.418 3.606 0 40 DHAB Cc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 9226998 VOBIFOJOSGVZOJ-UHFFFAOYSA-N 311.360 3.980 0 40 DHAB Cn1/c(=N\C(=O)c2ccc(Cl)cc2)sc2cc(F)ccc21 11852991 YMBMKGWFPYMMBL-OBGWFSINSA-N 320.776 3.773 0 40 DHAB CN(Cc1ccccc1)C(=O)c1c[nH]c(=S)n1-c1ccccc1 12592576 CKXOVIHUFVPEFC-UHFFFAOYSA-N 323.421 3.807 0 40 DHAB Cc1ccc(CN(C)CC(=O)N[C@@H](C)c2cccs2)c(C)c1 12731930 STLTUNPJINDUNW-HNNXBMFYSA-N 316.470 3.674 0 40 DHAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1F)c1ccccc1 12793557 FKIICZMBFHNEMS-AWEZNQCLSA-N 315.344 3.745 0 40 DHAB COc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 13131454 FKGAZANKFJFJLQ-ZWKOTPCHSA-N 320.396 3.741 0 40 DHAB aggregator O=C(Nc1cccnc1Cl)c1ccc(Cl)nc1Cl 13625675 QUWZRMCAESEJCW-UHFFFAOYSA-N 302.548 3.689 0 40 DHAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(NC(=O)C2CC2)cc1 27294075 ORQLDEOGIGMQGB-KBPBESRZSA-N 312.413 3.569 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)N(C)C2CCCCC2)cc1 30848684 NMXPQJHJMVSJIJ-ZDUSSCGKSA-N 307.459 3.967 0 40 DHAB COc1ccc(C(=O)Nc2ccc(C)c3ncccc23)c(OC)c1 31092070 QICHXJRSOUUMFW-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)c(C)s2)c1 32754268 BCQUKSZIZOFKRX-UHFFFAOYSA-N 306.362 3.715 0 40 DHAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(Cl)cc1 32817278 PLWGLAGWNGEPJL-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)cc1 32833061 XVQFZKODDZGGFD-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB CN(Cc1ccsc1)C(=O)c1cc(Cl)nc(Cl)c1 35123739 AACQTHSUIZJFPK-UHFFFAOYSA-N 301.198 3.722 0 40 DHAB O=C1NC(S)=N/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 38194954 NFULIMFRJDXJGZ-GDNBJRDFSA-N 319.389 3.591 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)C2=Cc3ccccc3CC2)o1 39972297 MDHGDZVGQONYAV-ZDUSSCGKSA-N 317.410 3.556 0 40 DHAB CCN(C(=O)COc1ccc(C(C)=O)cc1)C1=CCCCC1 39976015 YVBMMJDOTUTBFM-UHFFFAOYSA-N 301.386 3.574 0 40 DHAB Cc1ccc(CN(C)[C@@H](C(=O)N(C)C)c2ccccc2)c(C)c1 39987580 SRPYAZDOODDIID-LJQANCHMSA-N 310.441 3.565 0 40 DHAB C[C@@]1(C(=O)N2CCCc3c(F)cc(F)cc32)CC1(Cl)Cl 40090400 ZZWRMCZIKBNIEF-ZDUSSCGKSA-N 320.166 3.828 0 40 DHAB Nn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 40924943 HWGZNIJQQIXCSN-UHFFFAOYSA-N 316.817 3.605 0 40 DHAB CC(C)Cc1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 41123404 UZCXHSFYKDMXEA-LBPRGKRZSA-N 319.430 3.697 0 40 DHAB CC(C)OCc1cccc(CNC(=O)CCc2ccccc2)c1 49150951 IHRNYPRELPKOSH-UHFFFAOYSA-N 311.425 3.861 0 40 DHAB O=C(Nc1ccccc1)c1ccc(CNC(=O)C2CCCC2)cc1 57975952 OOEKLZNHGNNVCW-UHFFFAOYSA-N 322.408 3.745 0 40 DHAB O=[S@@](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1 58132326 VYGOSUGELCVHKB-OAQYLSRUSA-N 310.365 3.683 0 40 DHAB CCN(CC)c1ccc(NC(=O)Cc2c(C)noc2Cl)cc1 58190620 WSBWWGCGVWOYQK-UHFFFAOYSA-N 321.808 3.664 0 40 DHAB CCOc1ccc(C(=O)c2c[nH]c3ccc(CC)cc3c2=O)cc1 67340999 JLCLVPRILNOMIQ-UHFFFAOYSA-N 321.376 3.720 0 40 DHAB C[C@@H](NCc1cnc(-c2ccccc2)s1)[C@@H](C)n1cccn1 69418066 ZLZVEJZFASRVEB-ZIAGYGMSSA-N 312.442 3.746 0 40 DHAB CN(C(=O)[C@H]1CCOc2ccccc21)c1nc2ccccc2s1 69530722 IKDJVKSSGUQEQY-ZDUSSCGKSA-N 324.405 3.825 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)CSCc1cccc(F)c1F 69535776 SNXNKNMYUDBCTF-BXUZGUMPSA-N 313.413 3.893 0 40 DHAB CN(CCC1CCCCC1)C(=O)c1cc(=O)c2ccccc2[nH]1 69567421 ABSAODSNEHJUFD-UHFFFAOYSA-N 312.413 3.571 0 40 DHAB Cc1nc(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)no1 69621720 PBRHANBBMTYXEM-CYBMUJFWSA-N 311.307 3.734 0 40 DHAB CCCCCC[C@@H](CC)C(=O)NC1CCN(C(=O)C2CC2)CC1 69950014 QWHMYYFHCISIEG-OAHLLOKOSA-N 322.493 3.500 0 40 DHAB Clc1ccccc1Cc1nnc2sc(-c3ccco3)nn12 71284457 OFDYMPBSGHLPRZ-UHFFFAOYSA-N 316.773 3.690 0 40 DHAB C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc(Cl)cc1 72230387 BPERYPAJGNNKPB-GFCCVEGCSA-N 315.866 3.901 0 40 DHAB Cc1cnn(CC(=O)Nc2cccc(Nc3ccccc3)c2)c1 74072068 PNEGASMMOMHNKR-UHFFFAOYSA-N 306.369 3.574 0 40 DHAB O=C(N[C@@H]1COc2ccccc21)c1occc1-c1ccccc1 75126221 NCNNROCSMLKDTC-MRXNPFEDSA-N 305.333 3.810 0 40 DHAB CC(C)c1nc([C@H]2CCCN2c2ncnc3ccsc23)no1 75573017 UMJIPUIORFGLLB-LLVKDONJSA-N 315.402 3.539 0 40 DHAB COc1cc(CN[C@@H](C)c2c(C)nn(C)c2C)ccc1SC 78553156 IQFHBMQTXIVJHB-NSHDSACASA-N 319.474 3.618 0 40 DHAB C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)n2ccnc2-c2ccccc2)C1 89923071 IMQQOVKHAUOSBO-BFYDXBDKSA-N 311.429 3.806 0 40 DHAB CSCCc1ccc(NCc2ccc(-n3cncn3)cc2)cc1 95429008 PDYXQPCYHPYPJO-UHFFFAOYSA-N 324.453 3.785 0 40 DHAB Cc1ccc2c(c1)[C@H](N[C@@H]1CCN3CCC[C@@H]3C1)CCS2 95974237 YNYXFUJWEBREGC-BFYDXBDKSA-N 302.487 3.748 0 40 DHAB CO[C@@H](CNC(=O)c1ccc(Cl)s1)c1ccccc1C 96104951 HGHORKLUAMHEHC-LBPRGKRZSA-N 309.818 3.827 0 40 DHAB Cc1cccc(CN2CCC3(CCCN3CC3CCC3)CC2)n1 96159392 WZTSLFYWJZOBCR-UHFFFAOYSA-N 313.489 3.621 0 40 DHAB COc1c(C)cnc(CSc2nc3ccsc3[nH]2)c1C 96190692 XMFVWDFQZGHWSN-UHFFFAOYSA-N 305.428 3.937 0 40 DHAB CCS[C@H]1CC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 97009918 FNKUWKAHQFSFBK-OJYUVLBFSA-N 307.503 3.993 0 40 DHAB Oc1ccc(-c2[nH]ncc2-c2nc3ccccc3s2)c(O)c1 100633366 KUEDPQPSINBLKI-UHFFFAOYSA-N 309.350 3.765 0 40 DHAB Cc1nnc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)s1 101454153 YXVLFVQGYDXWKE-XYJYLCNOSA-N 305.447 3.782 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1cc(-c2ccco2)on1 104867196 QQWVIUPLVDFDNP-AVGNSLFASA-N 301.342 3.804 0 40 DHAB Nc1ccnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 167752576 ZQQPCAIOYSSVFS-UHFFFAOYSA-N 309.213 3.551 0 40 DHAB COc1ccc2c(C=O)cn(C(=O)OCc3ccccc3)c2c1 199813468 PRHJQYYDIRQMBQ-UHFFFAOYSA-N 309.321 3.647 0 40 DHAB CCNC(=O)c1ccc(Nc2ccc(C)c(Cl)c2)c(N)c1 212689985 ZRFNAWHPCXEPDT-UHFFFAOYSA-N 303.793 3.724 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)NCCSC(C)(C)C)c1 218965550 GLKWYWGRNNLKIH-UHFFFAOYSA-N 309.475 3.639 0 40 DHAB C[C@H]1CC[C@@H]1COc1ccc(I)cc1 242718270 XHQQLNGLVKBORD-VHSXEESVSA-N 302.155 3.716 0 40 DHAB Cc1ccsc1C(=O)N1CCC[C@H](Cc2ccccn2)C1 257275283 NORBSMHFFVJIRW-CQSZACIVSA-N 300.427 3.546 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2oc3ccccc3c2C)n1 257300736 RVMTYOYUPUSYOP-AWEZNQCLSA-N 309.369 3.750 0 40 DHAB O=C(NCc1cccs1)Nc1ccc(-c2ccncc2)nc1 575615544 GEGMPEXAYMFAQX-UHFFFAOYSA-N 310.382 3.527 0 40 DHAB CCOC1CC2(CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 585084534 PHOPQIWMWIVTEN-UHFFFAOYSA-N 315.457 3.791 0 40 DHAB CCn1cnc2c(Nc3ccc4sc(C)nc4c3)ncnc21 781395091 ULQWOFZQLVQREV-UHFFFAOYSA-N 310.386 3.508 0 40 DHAB O=C(CC1CCCC1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1776000810 LFQPLFRWRZNXNX-UHFFFAOYSA-N 323.440 3.877 0 40 DHAB Cc1nccc([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 1848353864 QIWZRXBWAUPNNB-INIZCTEOSA-N 306.413 3.646 0 40 DHAB Cc1ccc(COc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 979480 URALVWGELKARGW-YBEGLDIGSA-N 324.405 3.713 0 40 DHAB O=C(CSc1cccc2cccnc12)N1CCc2ccccc21 2701232 IZRXAIYQPYRTJV-UHFFFAOYSA-N 320.417 3.916 0 40 DHAB Cc1cccc(NC(=O)CSc2ncnc3ccccc23)c1C 3244047 LTWUBJTWFABSFS-UHFFFAOYSA-N 323.421 3.977 0 40 DHAB CSc1cccc(N[C@H](C)C(=O)NCc2ccccc2)c1 3356771 IEQBTKZISVHHJP-CYBMUJFWSA-N 300.427 3.525 0 40 DHAB O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1 4276161 ZIKJRJKHDFEUBL-UHFFFAOYSA-N 313.744 3.571 0 40 DHAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc2c(c1)OCO2 4546561 IPMHIOARKQUMDT-CSKARUKUSA-N 309.365 3.938 0 40 DHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1C 6539720 GRHOCLNZCKBYNM-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]1OC(=O)c2ccccc21 6552806 YLIMSRKUBBXJCN-SFHVURJKSA-N 321.376 3.576 0 40 DHAB CC(C)CCC(=O)Nc1ccccc1C(=O)NC1CCCC1 7814311 HJONAARSZMHJLF-UHFFFAOYSA-N 302.418 3.734 0 40 DHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)s1 8405801 DUPOJNOZRLPROC-LLVKDONJSA-N 324.833 3.561 0 40 DHAB Cn1ccnc1[C@H](OC(=O)c1ccc(Cl)cc1)C(F)(F)F 8425271 AMDANUNGFHZVBO-JTQLQIEISA-N 318.682 3.534 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc1 9064156 NUAPEKJYXVUEIP-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1cccc(F)c1 9387360 KTDDHJPUCKEGCZ-NSHDSACASA-N 322.330 3.563 0 40 DHAB COc1ccccc1-c1nn(CN2CCC(C)CC2)c(=S)o1 9434567 CYAXZIASMZKSBO-UHFFFAOYSA-N 319.430 3.571 0 40 DHAB CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 9517058 CJCMMHNYAFNXED-LJQANCHMSA-N 322.408 3.795 0 40 DHAB Cc1ccc(SCCNC(=O)c2cccc(N(C)C)c2)cc1 9888975 AXLHGQSCSMEMTO-UHFFFAOYSA-N 314.454 3.583 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c(C)c1 10901051 LESQPBYGXRZJNY-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1ccc2ncsc2c1 11749915 CPLVSZXENSLZDH-UHFFFAOYSA-N 308.406 3.758 0 40 DHAB CN1c2ccccc2C(=O)N[C@H]1c1csc(-c2ccccc2)n1 12548773 COIWUHLYYFLAKT-MRXNPFEDSA-N 321.405 3.689 0 40 DHAB Fc1ccccc1NC(=S)N1CCC[C@@H](C(F)(F)F)C1 16316588 XCRQRLBSJLXVLW-SECBINFHSA-N 306.328 3.797 0 40 DHAB O=c1[nH]c(-c2ccc(F)cc2)nc2sc3c(c12)CCCC3 18122988 KAOOMLBGJNXBLA-UHFFFAOYSA-N 300.358 3.670 0 40 DHAB CCN(Cc1ccncc1)C(=O)Cc1c(Cl)cccc1Cl 20501360 QUXKNGSWINIGID-UHFFFAOYSA-N 323.223 3.980 0 40 DHAB O=C(COc1cccc2[nH]ccc12)Nc1cccc2ncccc12 20734786 HRUVVOXQYKERMX-UHFFFAOYSA-N 317.348 3.734 0 40 DHAB CCC[C@H](NC(=O)[C@H](C)Sc1nncs1)c1ccccc1 21334971 ITNNZWBKWGHTFY-AAEUAGOBSA-N 321.471 3.676 0 40 DHAB C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@H]1CCCO1 27876045 RZLMOYZUVCDKLG-BXKDBHETSA-N 319.348 3.596 0 40 DHAB CCOC(=O)c1c(C)nc(-c2ccccc2Cl)nc1S 28444170 PPNPSWNGYPPVEM-UHFFFAOYSA-N 308.790 3.571 0 40 DHAB CCC[C@H](C(=O)NCCc1csc(C)n1)c1ccccc1 40489812 LOTVRPDZSBZXBA-INIZCTEOSA-N 302.443 3.694 0 40 DHAB FC(F)(F)[C@H]1CCC[C@H](NCc2c[nH]nc2-c2cccnc2)C1 42959977 DFZUBZOXCPZJDB-KBPBESRZSA-N 324.350 3.682 0 40 DHAB C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccncc1 43185826 DBWBNDZYVLWOFM-TZMCWYRMSA-N 301.415 3.751 0 40 DHAB CN(Cc1ccccc1NC(=O)C1CCC1)C(=O)OC(C)(C)C 58292015 APJFLTVEPCVJIX-UHFFFAOYSA-N 318.417 3.792 0 40 DHAB Cc1nc(C(=O)Nc2ccccc2NCC(F)(F)F)cs1 65487824 FKGRTFOUYDVGRO-UHFFFAOYSA-N 315.320 3.678 0 40 DHAB Cn1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc2ccccc21 71817291 CKTRLPUWHBNLNB-LBPRGKRZSA-N 310.319 3.593 0 40 DHAB c1ccc(C(CNc2ncnc3[nH]cnc23)c2ccccc2)cc1 71887867 NJDPONLMSCUAKW-UHFFFAOYSA-N 315.380 3.597 0 40 DHAB Fc1ccc(C2(NCc3ccc(Cl)nc3)CCOCC2)cc1 72628984 UBXOKEZWMKOOHC-UHFFFAOYSA-N 320.795 3.670 0 40 DHAB O=C(C1CCOCC1)N1CCCCC[C@@H]1/C=C/c1ccccc1 84839192 LRAOKTNZEGJBDB-GNISGLHKSA-N 313.441 3.898 0 40 DHAB O=C1C[C@@H](c2ccccc2)Cc2nc(Br)sc21 85389822 MYCZIXYSBXJDIW-VIFPVBQESA-N 308.200 3.818 0 40 DHAB O=C(Nc1ccc(CCO)cc1)[C@H]1CCCC[C@H]1C(F)(F)F 89787519 CGUALFYHKKBPFU-UONOGXRCSA-N 315.335 3.529 0 40 DHAB Cc1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O 91302991 UVMOIFKGIKWCOP-UHFFFAOYSA-N 315.413 3.850 0 40 DHAB in-vitro CSCCCNC(=O)Nc1c(C)noc1-c1ccccc1 95942302 AXCQYFJYBSFHHJ-UHFFFAOYSA-N 305.403 3.525 0 40 DHAB Cc1cccc(C2(C(=O)N(C)Cc3cscn3)CCCC2)c1 96403244 XUGHEIFBQVLJNQ-UHFFFAOYSA-N 314.454 3.922 0 40 DHAB COc1cccc(-c2cc(O)n(-c3nc4ccccc4s3)n2)c1 100134584 VNXWRASXQFWOEU-UHFFFAOYSA-N 323.377 3.863 0 40 DHAB CC(C)[C@H]1CCCCN1C(=O)Nc1ccccc1C[S@@](C)=O 160309390 QBZRFIZUBIDNMF-ZHRRBRCNSA-N 322.474 3.608 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NC(C)(C)Cc1ccccc1 222788108 WSERVUAYTBVNPW-SFHVURJKSA-N 311.425 3.982 0 40 DHAB CC(C)CNC(=S)Nc1ccc(Oc2ccccc2)nc1 223879443 ITUYZWKAPSJVPA-UHFFFAOYSA-N 301.415 3.816 0 40 DHAB CCC[C@H](C)NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224849898 UJMCLZFZURNLPI-ZDUSSCGKSA-N 316.401 3.588 0 40 DHAB O=C(c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)N1CCCC1 225253497 WCMRXGSBCVYQGK-UHFFFAOYSA-N 309.344 3.605 0 40 DHAB CCOc1cccc(NC(=S)NCc2cccc(C)c2)c1 225427428 CZPJBKCATKZCPG-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB S=C(NCCCSC1CCCCC1)Nc1ccncc1 225592268 ZLSKCGUDRZPCOP-UHFFFAOYSA-N 309.504 3.824 0 40 DHAB O=C(CSc1ccccc1)n1nnc2cc(Cl)ccc21 226359621 KFOSWZDLPCCSLI-UHFFFAOYSA-N 303.774 3.517 0 40 DHAB Cc1nccn1C[C@H](C)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 249400764 UXPVCZLLUGMTLH-MRVWCRGKSA-N 303.372 3.538 0 40 DHAB CC(C)C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257213000 CFTXNVWIKXNWMZ-INIZCTEOSA-N 316.376 3.724 0 40 DHAB Cc1nc(-c2ccc(C[C@H]3CCCN(C)C3)cn2)sc1C 257289130 PXBYSUFWABWCFJ-OAHLLOKOSA-N 301.459 3.706 0 40 DHAB CC(C)[C@H]1O[C@H]2c3cccc(F)c3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257317257 VJAFFOZMHAGJSX-MXYBEHONSA-N 322.376 3.800 0 40 DHAB CCn1nccc1-c1ccc(C[C@@H]2CCCN(C(C)C)C2)cn1 257325588 WTPXZTFOZRQQMN-KRWDZBQOSA-N 312.461 3.628 0 40 DHAB Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)n1 257335082 YIPWBSABEDKCJA-GOSISDBHSA-N 319.408 3.778 0 40 DHAB CC(C)CNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408618895 HWTWREGFQZWYPD-UHFFFAOYSA-N 320.392 3.561 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C(=O)O)cc2F)s1 566359351 RHSCHKSAVVYOHD-JTQLQIEISA-N 322.405 3.790 0 40 DHAB CC(C)C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 585131215 OUIFVIPYRQAHAC-UHFFFAOYSA-N 308.491 3.878 0 40 DHAB COc1cc(C=Cc2ccc(OC)cc2OC)cc(OC)c1 1857775752 JDBCWSHYEQUBLW-UHFFFAOYSA-N 300.354 3.891 0 40 DHAB Cc1cc(C)n2cc(CSc3nc4ccccc4[nH]3)nc2n1 193602 UCEAVMWUVPVZOO-UHFFFAOYSA-N 309.398 3.515 0 40 DHAB O=C(NCc1ccccc1)c1c2c(nc3ccccc13)CCC2 264504 LFRVFZIXCUZJAO-UHFFFAOYSA-N 302.377 3.654 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 342044 LZZXYCFMLJWXAI-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB Cc1ccc(C)c(OC(=O)c2cncc(Br)c2)c1 364195 RIVARAJWNMHUSV-UHFFFAOYSA-N 306.159 3.680 0 40 DHAB CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 364330 ZHXZNLVAMNRFIB-OAHLLOKOSA-N 312.413 3.939 0 40 DHAB COc1cccc(C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)c1 488816 GXBXGGUDSAZZJE-UHFFFAOYSA-N 324.332 3.638 0 40 DHAB COc1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1OC 496636 YFCAHPWDDDXIGP-ACCUITESSA-N 317.429 3.946 0 40 DHAB O=C(c1ccccc1)c1cccc(I)c1 2392527 JAFDVXCJWWEVND-UHFFFAOYSA-N 308.118 3.522 0 40 DHAB O=C(CSc1ncccn1)Nc1ccc(Cl)c(Cl)c1 2623252 WSVZLBLILHETAG-UHFFFAOYSA-N 314.197 3.514 0 40 DHAB Cc1nc2ccc(NC(=O)COc3ccccc3C)cc2s1 2644117 BMJKAEIBCFDRQH-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)NC2CCCCCC2)c1C 3366143 VHGUZSWWCWZPJA-UHFFFAOYSA-N 309.475 3.921 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(F)cc(F)c1 3430508 JDFJZKPZVSNFJJ-UHFFFAOYSA-N 308.284 3.966 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(C)cc2C)cc1OC 3482404 QCDBQFIJBCILBA-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB CCc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 3489814 MRFVXRIBKUOKSI-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB COc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(OC)cc1Cl 4322997 WHHFFWXAHHEODY-HBNTYKKESA-N 309.793 3.732 0 40 DHAB Cc1ccc(CNc2n[nH]c(NCc3ccc(C)cc3)n2)cc1 4703232 PZTZLMWOBLHHQT-UHFFFAOYSA-N 307.401 3.646 0 40 DHAB O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccncc1 5256481 VWJUGTNQCQPQBW-MRXNPFEDSA-N 324.409 3.582 0 40 DHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1Cl 5463591 NLQFTJHRNIYFEL-JTQLQIEISA-N 323.751 3.894 0 40 DHAB COc1ccc(CSCC(=O)N[C@H](C)c2ccccc2)cc1 6202105 YTLNBSUKNIOZGA-CQSZACIVSA-N 315.438 3.806 0 40 DHAB CCc1cccc2c(C=O)cn(CC(=O)Nc3ccc(C)cc3)c12 6285709 VAUFFCRWSSYBEG-UHFFFAOYSA-N 320.392 3.963 0 40 DHAB O=C(CCCc1cccs1)N[C@H]1CCOc2ccccc21 7218046 PNRHBMAABNFMAS-HNNXBMFYSA-N 301.411 3.711 0 40 DHAB CC(C)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 8105382 OEZPYCRFNLNJAD-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1 8707577 WMRLOXLQKISBKM-QGZVFWFLSA-N 311.406 3.853 0 40 DHAB CCN1C(=O)c2cc(NC(=O)OC)ccc2Oc2ccccc21 9134697 FZYWZNOSTCOEIM-UHFFFAOYSA-N 312.325 3.637 0 40 DHAB C[C@@H](CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccccc1 9467624 ITTHKZHBMWXSBG-KBPBESRZSA-N 307.397 3.934 0 40 DHAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1 12564476 CGVNJQHJUYVFKX-ZDUSSCGKSA-N 310.397 3.623 0 40 DHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1F 12595468 JGDTWOPWODFTND-NSHDSACASA-N 316.351 3.893 0 40 DHAB CC(C)CCNC(=O)c1csc(COc2ccc(F)cc2)n1 12822289 FIBMWFBRQIRFHU-UHFFFAOYSA-N 322.405 3.637 0 40 DHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)C 12858836 HEOKXYJBLIJVJD-UHFFFAOYSA-N 314.332 3.839 0 40 DHAB O=C(CN1CCSc2ccccc21)Nc1ccccc1Cl 13068858 HNFFFSPKGJOVGY-UHFFFAOYSA-N 318.829 3.891 0 40 DHAB Cc1ccc(C2C[C@@H]3CC[C@H](C2)N3Cc2cn(C)nc2C)cc1 13227037 DGGYULLIRKRLLL-CTXDPNEZSA-N 309.457 3.948 0 40 DHAB CC[C@@H](C)[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 15999129 RPTNPRGIWVXONY-RDDDGLTNSA-N 319.188 3.614 0 40 DHAB CCCn1ncc(C(=O)NCCCc2ccccc2Cl)c1C 19525901 PYLDJSWVTLUXJG-UHFFFAOYSA-N 319.836 3.618 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CNc1ccc(C)cc1 19773997 DDVPXBWWOLEQAX-UHFFFAOYSA-N 304.777 3.708 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)c1cccc(-n2cccc2)c1 23598611 MVVIPXTUGIPMSI-UHFFFAOYSA-N 308.356 3.889 0 40 DHAB COc1ccccc1C(=O)N[C@H](C)c1ccccc1OC(F)F 25297033 CDUKPGSDYQWJGP-LLVKDONJSA-N 321.323 3.788 0 40 DHAB O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cccnc1 25929265 YGRPBAXRTINQNZ-UHFFFAOYSA-N 305.337 3.866 0 40 DHAB C[C@H](NC(=O)c1ccccc1Nc1ccccc1)[C@H]1CCCO1 29958770 WNIIUEWFTXJANM-KBXCAEBGSA-N 310.397 3.728 0 40 DHAB CN(C)c1ccc(NCc2ccc(Br)s2)cn1 36988934 OWNKMRVHYCJMAM-UHFFFAOYSA-N 312.236 3.584 0 40 DHAB CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 37619325 OSLLVFGCOKJNNK-TVQRCGJNSA-N 303.233 3.688 0 40 DHAB Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)no1 41894334 ISNUNCPNPMVBEO-YGRLFVJLSA-N 300.358 3.504 0 40 DHAB CN(C)Cc1sc2c(c1NC(=O)c1ccccc1)CCCC2 44831197 NKSVVEAZGCZGLB-UHFFFAOYSA-N 314.454 3.941 0 40 DHAB CN(Cc1nnc(-c2ccco2)o1)Cc1c(F)cccc1Cl 56672797 DRMLXOZHKKFUHV-UHFFFAOYSA-N 321.739 3.754 0 40 DHAB COc1ccc(-c2ccc(/C=C/C(=O)O)o2)c(Br)c1 57353776 RSSJUPJKMHKZFU-QPJJXVBHSA-N 323.142 3.816 0 40 DHAB C[C@H](NC(=O)C1CCCCC1)c1nc(-c2ccc(F)cc2)no1 58174811 KKKDJVMQQIADAV-NSHDSACASA-N 317.364 3.633 0 40 DHAB COc1c(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c(C)nn1C 58307320 QZJJLMYZSXGJJX-INIZCTEOSA-N 319.424 3.753 0 40 DHAB COC[C@H](C)N(C)C(=O)Nc1ccc(OC2CCCC2)cc1 58324079 XDPXSOHQJWNWTO-ZDUSSCGKSA-N 306.406 3.507 0 40 DHAB COCCOc1ccccc1C(=O)N(C)C1CCCCCCC1 60303197 CUSIVYTWEJOAKD-UHFFFAOYSA-N 319.445 3.897 0 40 DHAB Fc1ccc(Cc2nc3c4c(Cl)cccc4ncn3n2)cc1 61718348 QZHGRZLLDSFKBN-UHFFFAOYSA-N 312.735 3.661 0 40 DHAB CC(C)Oc1cccc(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 65459314 NTJWDQAWEOTZKD-GOSISDBHSA-N 312.413 3.708 0 40 DHAB Oc1cccc(CNCc2ccc(Oc3ccccc3)nc2)c1 71851002 NDIOYWVPPUFNPN-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72212391 XBPKGZZEHOKKJL-INIZCTEOSA-N 311.385 3.528 0 40 DHAB CCc1cccc(C)c1NC(=O)N1CCC(c2ncc[nH]2)CC1 72309798 JZEGXPXAAPPNQS-UHFFFAOYSA-N 312.417 3.692 0 40 DHAB Cc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)c2c(C)noc2n1 95403676 MQPBUZLAUYMENE-GDBMZVCRSA-N 321.380 3.516 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)cc1 95956838 IYVOIMNQJRZCNI-AWEZNQCLSA-N 315.394 3.596 0 40 DHAB COc1ccccc1[C@H]1Sc2ccccc2NC(=O)[C@@H]1F 96171723 XZYDUJLSLZNJIB-HUUCEWRRSA-N 303.358 3.819 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(COC)c1 175512259 FWZFELBGIBYIGW-GOSISDBHSA-N 313.397 3.938 0 40 DHAB CC1CCN(Cc2ccc(C(=O)N[C@H](C)C(C)C)cc2)CC1 225213854 PXANPXARFXANLY-MRXNPFEDSA-N 302.462 3.693 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1F 225390852 QCAARGRMISXPJM-CYBMUJFWSA-N 301.361 3.942 0 40 DHAB Nc1cc(C(=O)NC2CC2)ccc1NC1CCCCCCC1 225449720 PTNBSWNPIOBDIO-UHFFFAOYSA-N 301.434 3.686 0 40 DHAB CSc1cccc(F)c1C(=O)Nc1cccc2[nH]cnc12 225607406 ILBISPAFSPPWAL-UHFFFAOYSA-N 301.346 3.676 0 40 DHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225794455 VOJGMJCZAYPNHI-CQSZACIVSA-N 319.323 3.858 0 40 DHAB Fc1ccccc1NC(=S)NC1(c2ccccn2)CCCC1 225850811 KQDLNTBECGHHJW-UHFFFAOYSA-N 315.417 3.977 0 40 DHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(N)c(Cl)cc1Cl 226304481 GNAXADNKGOZIBR-IUCAKERBSA-N 301.217 3.979 0 40 DHAB CCc1ccccc1Cc1noc(C2CCN(C3CC3)CC2)n1 585084237 PZRJAHVVUSBTFD-UHFFFAOYSA-N 311.429 3.565 0 40 DHAB CNc1cccc(CC[C@H]2CCCCN2C(=O)C2CCCC2)n1 585177160 HWTQZWWDPFQTJT-QGZVFWFLSA-N 315.461 3.627 0 40 DHAB Brc1ccc2c(c1)C[C@@H](NCc1ccccc1)CO2 1565505282 JUSSVOVSURWKOO-OAHLLOKOSA-N 318.214 3.542 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(F)cc1C2=O 1857794817 VRSWDMZWJNMQAI-UHFFFAOYSA-N 319.376 3.582 0 40 DHAB Fc1ccc(CN2CCC(Cc3nc(C4CC4)no3)CC2)cc1 1889119491 YYNCOJIOTZZHOB-UHFFFAOYSA-N 315.392 3.541 0 40 DHAB CC(=O)Nc1ccc(Nc2nc(-c3cccnc3)cs2)cc1 88652 SVLRXYUZBSGNSY-UHFFFAOYSA-N 310.382 3.907 0 40 DHAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccco2)S3)cc1 93536 HKBSQOUCLXIDSM-ZDUSSCGKSA-N 311.366 3.724 0 40 DHAB COc1cc(-c2ccc3c(c2)OCO3)cc(=O)c2c(C)oc(C)c12 285889 GVHCTCPWTCXBQL-UHFFFAOYSA-N 324.332 3.814 0 40 DHAB biogenic Cc1cc2ccccc2nc1SCC(=O)N1CCC[C@@H](C)C1 416346 ZUFWDBUIYRFILK-CYBMUJFWSA-N 314.454 3.894 0 40 DHAB CCOC(=O)[C@H](CC)Sc1cc(C)nc2ccc(OC)cc12 420948 FMWVPFGUKCGOAF-HNNXBMFYSA-N 319.426 3.986 0 40 DHAB O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1 2351169 SFWFOEULWVNPCK-UHFFFAOYSA-N 309.394 3.535 0 40 DHAB COc1cc(C(=O)NC(C)(C)C)ccc1OCc1ccccc1 2634329 BMEQUWXAQIAACR-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB COc1ccc(C)cc1N[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C 3342545 OOWPNHNGVOBDCJ-RBSFLKMASA-N 304.434 3.594 0 40 DHAB CN(Cc1ccc(Cl)c(Cl)c1)Cn1nnc2ccccc21 3448144 CNOJNIQLSBOULT-UHFFFAOYSA-N 321.211 3.828 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12 3448548 FBIWDWQZXNMXGC-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB CN(CC(=O)Nc1cccc(F)c1)Cc1c(F)cccc1Cl 3541110 HAMHNICSFHNWOK-UHFFFAOYSA-N 324.758 3.689 0 40 DHAB CC1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 3583264 IJZIIWSSQFKFAB-UHFFFAOYSA-N 301.217 3.664 0 40 DHAB COc1ccc(OC)c2nc(-c3ccc4c(c3)OCO4)ccc12 4051240 ZXFPTHSTAZIDFT-UHFFFAOYSA-N 309.321 3.648 0 40 DHAB COc1ccc(NC(=O)c2cc3cc(C)ccc3n2C)c(OC)c1 4711985 RUZKZFVLOSTHPK-UHFFFAOYSA-N 324.380 3.756 0 40 DHAB CCCCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OC 6323401 RULCNPCNMPUXFI-UVTDQMKNSA-N 321.398 3.540 0 40 DHAB Cc1cc(C)nc(NC(=S)NCc2ccc(Cl)cc2)c1 6572530 DLLRIJLLFIWEJG-UHFFFAOYSA-N 305.834 3.838 0 40 DHAB Cc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)C(=O)[C@@H]2C)cc1 8229938 JYTWSSDJDCCUAQ-INIZCTEOSA-N 322.408 3.969 0 40 DHAB O=c1[nH]c2cc(Cl)ccc2nc1Cc1ccc2ccccc2n1 8391736 IRFPJUXSNLTAQF-UHFFFAOYSA-N 321.767 3.716 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccn1 9368928 CNXXFYSJBXRQGB-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC1=C[C@](O)(c2ccccn2)[P@@](=O)(c2ccccc2)C=C1C 13213205 PJICAWSJXGVEIJ-GCJKJVERSA-N 311.321 3.779 0 40 DHAB Cc1cccnc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 14093837 WGBBCSFNWSYQIQ-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB C[C@@H](N[C@@H]1CCCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 16046924 VUXXXWLASZHJPN-CXAGYDPISA-N 319.408 3.651 0 40 DHAB O=C(Nc1ccc(F)c(F)c1)C1(c2ccccc2)CCOCC1 16985193 IWVUBVFRPZINGJ-UHFFFAOYSA-N 317.335 3.652 0 40 DHAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1OC 20105810 LUVKPZGGKCCKMI-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NCc2cccc(C)c2)cc1 20458606 DZNVKUDGDFLENY-AWEZNQCLSA-N 315.438 3.801 0 40 DHAB O=C(CCc1ccccc1O)N[C@H]1CCC[C@H](C(F)(F)F)C1 23387225 PGSKNOHOLBQFGT-STQMWFEESA-N 315.335 3.562 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)cn2)C1(C)C 25665973 NIUADVHLGSHPRS-DOTOQJQBSA-N 313.445 3.859 0 40 DHAB CC[C@@H](C(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 27837222 SQUGVPLRLRZKIQ-YLJYHZDGSA-N 322.452 3.823 0 40 DHAB FC(F)(F)c1ccc(SCc2nnsc2Cl)nc1 35164543 SXWNCPQRNPXPII-UHFFFAOYSA-N 311.741 3.898 0 40 DHAB Clc1ccc2oc([C@H]3CCN(Cc4ccccn4)C3)nc2c1 35446457 MBMKVWWCKUCZAT-LBPRGKRZSA-N 313.788 3.866 0 40 DHAB biogenic,in-vitro O=C(Nc1ccccc1-n1cccn1)c1cc2ccccc2o1 40088399 KSJVSDPEMHAWGN-UHFFFAOYSA-N 303.321 3.871 0 40 DHAB CC(C)c1ccc(CNC[C@H](O)c2ccc(F)c(F)c2)cc1 40088599 HWILNISDNPPRPU-SFHVURJKSA-N 305.368 3.911 0 40 DHAB O=C(c1cc(C2CC2)on1)N1CCC(Cc2ccccc2)CC1 41452830 YSTLOBFRHOVMDJ-UHFFFAOYSA-N 310.397 3.647 0 40 DHAB CC(=O)Oc1cccc(C(=O)c2ccccc2C(F)(F)F)c1 43209845 GAKZLDXGBORGII-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 43653942 XRGMQJBEJYYBEN-NSHDSACASA-N 315.348 3.667 0 40 DHAB CCOC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 44200757 MOONXTNJHFUJFM-UHFFFAOYSA-N 300.354 3.841 0 40 DHAB CC[C@@H](C)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 47557874 YJMWDHMFHSBOQH-LLVKDONJSA-N 319.836 3.600 0 40 DHAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(F)(F)F 57316733 OAVZULYYAKNXIK-UHFFFAOYSA-N 321.258 3.699 0 40 DHAB Cc1ccc(OCc2nc(-c3ccco3)no2)c2c1[C@H](C)CC2=O 58033853 PCXVAENXGKOSFC-LLVKDONJSA-N 324.336 3.907 0 40 DHAB COc1ccccc1[C@H](C)N(C)Cc1nc(C(C)(C)C)no1 58345024 PREODQOKRKSHDP-LBPRGKRZSA-N 303.406 3.569 0 40 DHAB CCOc1ccc(F)cc1NC(=O)[C@H](OC)c1ccccc1 66494058 BRWWZXXOBHJXST-MRXNPFEDSA-N 303.333 3.551 0 40 DHAB Cc1ncc(CN(C)C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)s1 69776436 DHMQWLBXUAJBEQ-CABCVRRESA-N 320.845 3.867 0 40 DHAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@H]1C1CCCCC1 71819903 LQOZWXRFHBFACD-GOSISDBHSA-N 324.424 3.713 0 40 DHAB O=C(NCCc1cccs1)N[C@H]1CCCOc2ccccc21 72061544 UFROFHQUUMIAPB-HNNXBMFYSA-N 316.426 3.504 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)CCc2ccco2)n1 72232493 KGJDQNRULLJVIF-CQSZACIVSA-N 304.415 3.731 0 40 DHAB CN1CCCC[C@H]1COC(=O)c1sccc1SC(F)F 72310669 PLFNVKBNNCNOCG-VIFPVBQESA-N 321.414 3.704 0 40 DHAB O=C(Nc1cccc(Cl)c1)Nc1cnn(CC(F)(F)F)c1 75141058 HJDJFIWZWIAOGP-UHFFFAOYSA-N 318.686 3.743 0 40 DHAB CC(C)CC[C@H](C)NC(=O)Nc1ccc([S@](C)=O)c(F)c1 76094283 OQDFAHGWDZCTPX-WIUDPPPLSA-N 314.426 3.509 0 40 DHAB CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)CC(=O)OC 84743169 HISVKLARFKQFED-AWEZNQCLSA-N 323.408 3.544 0 40 DHAB O=C(c1ccccc1NCc1nnc(C2CC2)o1)C1CCCC1 86210030 KIPINYOMYCBNKA-UHFFFAOYSA-N 311.385 3.932 0 40 DHAB CCN(C)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 89960838 WAEYGHIAANSRHR-QGZVFWFLSA-N 316.832 3.649 0 40 DHAB CCCCOc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C 95095422 CIYJCUJZDHICFX-OAHLLOKOSA-N 315.417 3.957 0 40 DHAB Cc1cc(-c2nnc(CN(C)Cc3sccc3C)o2)c(C)o1 95966246 KQEJUFGTVPIESZ-UHFFFAOYSA-N 317.414 3.948 0 40 DHAB CC(C)c1cnc(CNc2nnc(Cc3ccsc3)o2)s1 97085395 GMQLZKINKZSSQB-UHFFFAOYSA-N 320.443 3.914 0 40 DHAB Cc1ccc(CN(C)C(=O)Nc2cnc(C(C)(C)C)nc2)s1 102795495 LZZCKYCYRCMNRS-UHFFFAOYSA-N 318.446 3.808 0 40 DHAB Cn1c(=O)oc2ccc(NC(=O)c3csc4ccccc34)cc21 171473461 SKGYTNIQCVXWBX-UHFFFAOYSA-N 324.361 3.599 0 40 DHAB N[C@@H](CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 195544195 WTHPQIOYMMPMPY-ROUUACIJSA-N 312.388 3.579 0 40 DHAB Cc1ccccc1CCC(=O)NC[C@H]1CCCN1c1ccccc1 207989451 FFRCEGJAHZJBCC-HXUWFJFHSA-N 322.452 3.713 0 40 DHAB CCc1ccccc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225039690 GAHBWFLSLAMTJZ-INIZCTEOSA-N 304.773 3.977 0 40 DHAB CCOc1ccccc1C[C@H](Oc1cc(C)cc(C)c1)C(=O)O 225104442 UABBQSRMXWDZJK-SFHVURJKSA-N 314.381 3.777 0 40 DHAB Cc1cccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c1 225364057 GARLIMWUGDCHOX-UHFFFAOYSA-N 309.365 3.799 0 40 DHAB CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccco1 225653734 GYLNVCNTXUWYPA-ZDUSSCGKSA-N 301.367 3.612 0 40 DHAB O=C(c1ccoc1)N1CCC(Oc2cccc3cccnc23)CC1 225705958 TXNKZMIHUWCQQD-UHFFFAOYSA-N 322.364 3.511 0 40 DHAB CC(C)(C)OC(=O)NC[C@H]1CCCC(=O)[C@H]1c1ccccc1 225751174 QRGRWLRFDOFXKK-ZBFHGGJFSA-N 303.402 3.664 0 40 DHAB O=C(O)/C=C/c1cccc(NC(=O)c2cc3ccccc3o2)c1 226322496 VSGUHQWPCZZONU-CMDGGOBGSA-N 307.305 3.783 0 40 DHAB Fc1ccc(Cc2cnc([C@H]3CCN(c4ccccn4)C3)o2)cc1 257200749 AETGIRPGFNFBGP-HNNXBMFYSA-N 323.371 3.793 0 40 DHAB CO[C@H](C)c1cccc(NCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 330465944 WJNFCUQYMAZEKD-JJRVBVJISA-N 304.434 3.501 0 40 DHAB CC(C)CN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 408536682 XGRKOPOROVOFEU-UHFFFAOYSA-N 322.408 3.692 0 40 DHAB O=C(CSCc1ccccc1)NCC1(c2ccsc2)CC1 1889149045 KGCGQTIYMUDVAO-UHFFFAOYSA-N 317.479 3.829 0 40 DHAB CC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1Cl 101365 CFAYCBNPXUTFBX-UHFFFAOYSA-N 304.173 3.823 0 40 DHAB Cc1ccccc1OCC(=O)Nc1ccccc1Br 349225 BBHKUPKOUFLCTB-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1 384377 FHCLWUVUPLMYKC-ZDUSSCGKSA-N 312.369 3.547 0 40 DHAB COC(=O)CSc1ncnc2scc(-c3ccccc3)c12 411903 GSJZDBNDELCNEI-UHFFFAOYSA-N 316.407 3.623 0 40 DHAB CC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 493055 BXWTYBDFRSRDAC-VBKZILBWSA-N 322.408 3.926 0 40 DHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1506805 XADRQKMGWBTPTJ-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB C[C@@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)C1CCCC1 1683407 CNFNVXPDSNSPKW-LPHOPBHVSA-N 315.457 3.988 0 40 DHAB CC(C)(C)c1cc(NN)n2ncc(-c3ccc(Cl)cc3)c2n1 2357907 KPAJTLQRDSRFPJ-UHFFFAOYSA-N 315.808 3.633 0 40 DHAB Oc1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1 3031002 UPVWMNSVNHQLHJ-UHFFFAOYSA-N 304.309 3.734 0 40 DHAB CC[C@H](C)NC(=O)CSc1cc(C)c2cccc(C)c2n1 3381807 CPUUQWBKGCGMQS-ZDUSSCGKSA-N 302.443 3.858 0 40 DHAB Cc1cc(C)cc(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 3434656 FQOAJFBSBGQWNM-LJQANCHMSA-N 309.409 3.876 0 40 DHAB Cc1ccc2cccnc2c1NC(=S)NC(=O)c1ccccc1 4052760 ASNYRTGWBXIGFA-UHFFFAOYSA-N 321.405 3.670 0 40 DHAB CCCCC(=O)N(CC(C)C)c1nnc(-c2cccnc2)s1 4881830 ABEQRCBIFUUUQL-UHFFFAOYSA-N 318.446 3.779 0 40 DHAB Cc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3)n2)cc1 4921136 IQOGSSBOLJVUKM-UHFFFAOYSA-N 321.380 3.641 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2ccccc2)c1C 5326298 WGGYZACMNASVGB-ZDUSSCGKSA-N 315.369 3.726 0 40 DHAB CC(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1 5347023 KGUPXMDUXLBTKX-UHFFFAOYSA-N 320.186 3.987 0 40 DHAB O=C1S/C(=C\c2cccs2)C(=O)N1c1cccc(O)c1 5376192 CPTJUWSHVPCALW-WQLSENKSSA-N 303.364 3.695 0 40 DHAB CC[C@H](C)NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 5428846 KYCDPAYWUNSECA-QMMMGPOBSA-N 323.487 3.623 0 40 DHAB C[C@@H](NC(=O)C(C)(Cl)Cl)C12CC3CC(CC(C3)C1)C2 5577387 GIXFLVCLBSOLMW-XBVVOLJWSA-N 304.261 3.901 0 40 DHAB COc1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1 6230367 YAAQEDMGVPYRJK-UHFFFAOYSA-N 324.207 3.975 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)COc1cccc(C(F)(F)F)c1 6650194 IJHCLLOUUQDGTM-SMDDNHRTSA-N 315.335 3.779 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCc2ccccc2C1 8041325 CDAIMAGCZNFHLG-IBGZPJMESA-N 309.409 3.737 0 40 DHAB Cc1cc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)no1 8156359 LPGAEUUVSDETHG-UHFFFAOYSA-N 324.365 3.840 0 40 DHAB C[C@H](Sc1ncccc1Cl)C(=O)NCc1cccs1 8726504 PONFYPYRJBQOCL-VIFPVBQESA-N 312.847 3.594 0 40 DHAB CCN(C(=O)Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1 9704855 PMRUVVPVJNMBIL-UHFFFAOYSA-N 321.376 3.697 0 40 DHAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccco1 9836689 WMGDPYJLWYINJX-UHFFFAOYSA-N 300.745 3.720 0 40 DHAB COc1ccccc1NC(=O)c1cc(=O)c2cc(C)cc(C)c2o1 12062876 YWZPOVQERRCGML-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB CCOC(=O)c1ccc(OCC(C)C)c(Br)c1 12137034 IUOPHILBUXZQGU-UHFFFAOYSA-N 301.180 3.661 0 40 DHAB CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1C 13564527 KXHOXSHOVDNEEU-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB CC(C)OCCCNC(=O)[C@H](C)Oc1cccc2ccccc12 13709290 YYBFLHQZRTVVLJ-HNNXBMFYSA-N 315.413 3.538 0 40 DHAB c1ccc2oc(CSc3nnnn3C3CCCCC3)nc2c1 14676343 UAUWDOANKXYDMV-UHFFFAOYSA-N 315.402 3.612 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccccc1OC 15966603 OODTUCHIXILZNU-NSHDSACASA-N 319.788 3.848 0 40 DHAB COc1cccc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 17069967 PSXFEMKGBHTEJC-LBPRGKRZSA-N 318.804 3.909 0 40 DHAB CN(C)CCOC1=Nc2ccccc2O/C1=C/c1ccccc1 17107108 LGIFXGMQZXFXTI-NBVRZTHBSA-N 308.381 3.728 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 18918647 BETSFKJOJNHVSL-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CCc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)no1 19522690 DVROLCJVJQUMTR-UHFFFAOYSA-N 317.345 3.752 0 40 DHAB O=C(Nc1cccc(Nc2ncnc3ccccc23)c1)C1CC1 29526654 JPBJXYMHMMXIJH-UHFFFAOYSA-N 304.353 3.722 0 40 DHAB Cc1cc(COC(=O)c2cc3c(ccc4ccccc43)[nH]2)on1 31408918 FCHJEUBVXVIPEP-UHFFFAOYSA-N 306.321 3.975 0 40 DHAB O=C(O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 36925279 SIXMTRSELLHILQ-UHFFFAOYSA-N 300.701 3.755 0 40 DHAB in-vitro Cc1ccc(Cl)c(NC(=O)CNC2CCCC2)c1Cl 37386840 HIIOVKAYAMEMEM-UHFFFAOYSA-N 301.217 3.773 0 40 DHAB COc1ccc(C2=CCN(C(=O)c3ccccc3OC)CC2)cc1 40119715 ZPBZQDGJCWREAT-UHFFFAOYSA-N 323.392 3.633 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)N(C1CC1)[C@H](C)c1ccccn1 57513692 SZYNFVKSHCISFP-HZPDHXFCSA-N 324.424 3.739 0 40 DHAB CCc1ccc(NC(=S)NCCCOC2CCCC2)cc1 57815750 VOSIYDZKPLCYCW-UHFFFAOYSA-N 306.475 3.885 0 40 DHAB COc1cc([C@@H]2NC(=O)c3cccc(C)c3N2)ccc1SC 58245595 AKKGUMVPRSEKGZ-INIZCTEOSA-N 314.410 3.580 0 40 DHAB CC(C)Cn1nccc1NC(=O)c1ccccc1C(F)(F)F 67508126 MXKICVIYZRXEJG-UHFFFAOYSA-N 311.307 3.810 0 40 DHAB Cc1ccc(F)cc1CN1CCC(NC(=O)OC(C)(C)C)CC1 67801035 FXPOAKGEWABWHL-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccco1)C(=O)O3 72396338 LOZQMTZWPLIVKX-UHFFFAOYSA-N 308.337 3.959 0 40 DHAB COC(=O)/C=C\c1ccc2c(ccn2C(=O)OC(C)(C)C)c1 85474982 IKUJMQAAEQJMKL-VURMDHGXSA-N 301.342 3.611 0 40 DHAB O[C@H](CN(Cc1ccccc1)Cc1cccnc1)c1cccs1 88616467 FKDLMSJRUJCTBO-GOSISDBHSA-N 324.449 3.879 0 40 DHAB F[C@@]1(Cl)Oc2ccc(Br)cc2O[C@@]1(F)Cl 91252152 DEVDQAXVEGUCIT-HTQZYQBOSA-N 319.916 3.945 0 40 DHAB Cn1c(C(=O)Nc2ccc3c(c2)COC3)ccc1-c1ccccc1 92052244 JZZFCCCXDWCDMF-UHFFFAOYSA-N 318.376 3.975 0 40 DHAB CCCOc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C 95095417 KBOMOUWNUBDYLU-AWEZNQCLSA-N 301.390 3.567 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CC[C@@H]1c1ccccc1 95956444 WQXJQLWFTUOBOF-CQSZACIVSA-N 304.777 3.543 0 40 DHAB O=S(=O)(c1ccccc1)N(c1ccccc1)C1CCCC1 95956465 SGXBHNYMBRUYDH-UHFFFAOYSA-N 301.411 3.825 0 40 DHAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccc(Cl)s1 211116192 CXIOCGXGOZPQNJ-ZDUSSCGKSA-N 320.845 3.800 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)OCO2 216386434 SCLWSGOXJQOROP-CQSZACIVSA-N 313.353 3.520 0 40 DHAB CC1CCN(C(=O)[C@@H](C)Oc2cccc3c2CCCC3)CC1 222625705 LGEMJJGBKUIBQV-OAHLLOKOSA-N 301.430 3.591 0 40 DHAB Cc1ccc(CCCNC(=O)COc2cccc(Cl)c2)cc1 222768438 JZCBWMCFHMAHHB-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB CNC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224309100 UISXCXKFSABSQX-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB COc1cccc(NC(=O)NCCSC2CCCCC2)c1 225760012 RNPCISCZTUOYGS-UHFFFAOYSA-N 308.447 3.883 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1ccc(Cl)cc1 225995078 RWFJYGJCSPGEID-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB C[C@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1 226275737 HFHBSGLJOCQTLG-NSHDSACASA-N 300.324 3.591 0 40 DHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CCCNC2)n1 257314826 UYQHGSQPEJOQFO-CYBMUJFWSA-N 302.447 3.674 0 40 DHAB Fc1ccccc1OCc1nc(SCc2ccccc2)n[nH]1 409384881 GUEJUKMXAFUAOF-UHFFFAOYSA-N 315.373 3.815 0 40 DHAB Cc1csc(-c2ccc(NC(=O)N3CCC(F)(F)C3)cc2)n1 538436768 GYZBFBOVOPQINX-UHFFFAOYSA-N 323.368 3.991 0 40 DHAB Cc1ocnc1CNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 563024684 GQPGQGUWIOIVGE-MRXNPFEDSA-N 313.401 3.666 0 40 DHAB CC(C)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1776000546 RQLUKNPFJLUYCM-GFCCVEGCSA-N 302.340 3.600 0 40 DHAB Cc1ccccc1-c1nnc(NC(=O)c2ccccc2F)s1 179463 FYMUITCBZIQGLA-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB COc1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 362108 AYPXKLXAHBUCLB-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB O=S(=O)(Oc1ccc(Cl)cc1)c1cccc2cccnc12 1724593 WPVTYQWOFPYPSA-UHFFFAOYSA-N 319.769 3.656 0 40 DHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 3326795 RWTGIHCINVIKHO-DOMZBBRYSA-N 324.380 3.542 0 40 DHAB COc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1OC 4678560 HIOVIIRCTYMMBG-UHFFFAOYSA-N 323.396 3.716 0 40 DHAB C[C@@H](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1CCCCC1 4690983 DKXIVGVTWYAFDZ-CYBMUJFWSA-N 320.408 3.629 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)Cc3ccccc3)o2)c(C)c1 5169631 QRJCJBIMQOQCAZ-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB COc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 5284327 DCOSJPQPNLQOSX-UHFFFAOYSA-N 319.426 3.794 0 40 DHAB C[C@H]1CCc2nc(NC(=O)Cc3ccccc3F)sc2C1 6995152 YKLWRSOMLVENQU-JTQLQIEISA-N 304.390 3.588 0 40 DHAB CNCCCNCc1cccc(OCc2ccccc2Cl)c1 8377193 HENVKVNUFDMFSQ-UHFFFAOYSA-N 318.848 3.618 0 40 DHAB CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21 9107158 CMNBJYFFFXKQGR-UHFFFAOYSA-N 314.410 3.690 0 40 DHAB Cc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 10017073 AEFVFOZJKWKVRC-UHFFFAOYSA-N 322.286 3.591 0 40 DHAB COc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 10542986 LHBNJJMOHPEFBO-HNNXBMFYSA-N 311.381 3.727 0 40 DHAB Cc1ccc(-c2cnc(CCC(=O)Nc3nccs3)o2)cc1 11326629 WZBPJDZCKPKSOR-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3F)cc2c1 13561413 ACHCUYPQVKJMBW-UHFFFAOYSA-N 300.308 3.727 0 40 DHAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cccnc1 13735968 LDPDYWZUZVPICM-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC[C@](C)(CC(=O)O)CC(=O)Nc1ccc(OC)c(Cl)c1 14135759 QOEHKQMUPTUOHK-HNNXBMFYSA-N 313.781 3.568 0 40 DHAB CC(=O)c1ccccc1NC(=O)COc1c(C)cc(C)cc1C 14378677 XCVKRNPBMVMRLK-UHFFFAOYSA-N 311.381 3.832 0 40 DHAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCSc2ccc(F)cc21 15199060 APVHZVSFCMMPJJ-OAHLLOKOSA-N 319.376 3.861 0 40 DHAB Cc1cc(C)c(C)c(OC[C@@H](O)CN(C)C2CCCCC2)c1 16779371 VJEUEFGJNQDZJV-SFHVURJKSA-N 305.462 3.616 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)Nc3cccc(C)c3)ccc21 18173950 OZCMEHUOXNJIAY-UHFFFAOYSA-N 309.369 3.548 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCc3ccccc32)c1 20482820 SAKAMUZKWJRCBQ-MRXNPFEDSA-N 309.409 3.968 0 40 DHAB CCc1cccc(N[C@@H](c2cccc(C)c2)P(=O)(O)O)c1 24769773 XKCTUHVEGRJLCZ-MRXNPFEDSA-N 305.314 3.846 0 40 DHAB COc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 27976855 ADDCEFSGXWHGHZ-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB O=C(NOCc1ccccc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 29728588 GTMUFYKRDDDVAY-OLZOCXBDSA-N 316.323 3.539 0 40 DHAB [O-][n+]1ccccc1SCc1csc(Nc2ccccc2)n1 36724211 BWPCRPONAXVJKB-UHFFFAOYSA-N 315.423 3.812 0 40 DHAB O=C(NCCc1ccccc1F)Nc1ccc(F)c(F)c1F 40097368 MODFGBUIZSAOMN-UHFFFAOYSA-N 312.266 3.607 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)c1 40150759 KYPNSWLWCKHQSC-INIZCTEOSA-N 309.413 3.554 0 40 DHAB CCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 44006983 SEASRWRLYITQBT-UHFFFAOYSA-N 310.328 3.897 0 40 DHAB Fc1c(Br)cc(C(F)(F)F)nc1Br 47218595 VKQSCCFSPSGAFS-UHFFFAOYSA-N 322.881 3.765 0 40 DHAB O=C(NCc1ccco1)c1cc2c(Cl)c(Cl)ccc2[nH]1 47703655 IDQJWJIVHWAFRD-UHFFFAOYSA-N 309.152 3.998 0 40 DHAB Cc1cc(NC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)no1 47968824 SEPQVSYJBZLOAB-QMTHXVAHSA-N 315.373 3.896 0 40 DHAB O=C(O)c1cnc(CCc2ccccc2)nc1Nc1ccccc1 49469760 KTUIQNLPYOVTDX-UHFFFAOYSA-N 319.364 3.704 0 40 DHAB CCOc1ccc(CCC(=O)N2CCc3sccc3C2)cc1 55165592 JLJVJUBMZLJGSZ-UHFFFAOYSA-N 315.438 3.664 0 40 DHAB COC[C@H](C)c1nc(-c2cccc(N3CCCC3=O)c2)cs1 58291687 PBMLRYVKIAHQCX-LBPRGKRZSA-N 316.426 3.687 0 40 DHAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)c1cccs1 58405181 LRVWBUUFQCLCGG-GFCCVEGCSA-N 306.479 3.522 0 40 DHAB CCCNC(=O)c1sc(-n2cccc2)nc1-c1ccccc1 61720735 JWNZOUSMTJCQSZ-UHFFFAOYSA-N 311.410 3.741 0 40 DHAB C[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)nc(Cl)c1 62187661 GPWBCYIKAPPHSU-SNVBAGLBSA-N 309.196 3.749 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 63838404 OCCJWPXQRZAEBU-NEPJUHHUSA-N 323.318 3.788 0 40 DHAB CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1OC 68933415 UBPIPTIUFRHVGN-UHFFFAOYSA-N 303.333 3.794 0 40 DHAB O=C(Nc1cccc2[nH]ccc12)N(Cc1ccncc1)C1CC1 71803364 QGGTYZNFOUSTGF-UHFFFAOYSA-N 306.369 3.759 0 40 DHAB CCc1noc(CNc2ccccc2N2CCCCCC2)n1 71982125 HKULBSIYLVUMIE-UHFFFAOYSA-N 300.406 3.625 0 40 DHAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cccc(C)c1 72228947 LTLVHZOLFUNAQD-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB CCOC(=O)Nc1cccc(NC(=O)N[C@@H]2CCC[C@H]2C)c1C 72274148 MOYUQQWPLMILIM-DGCLKSJQSA-N 319.405 3.874 0 40 DHAB CCc1ccc(-c2[nH]ncc2C(=O)NCC2CCCCC2)cc1 72329193 JNUFUVHUDKAJCZ-UHFFFAOYSA-N 311.429 3.949 0 40 DHAB Cc1cccc2cc3c(nc12)O[C@@H](C)CN(Cc1ccco1)C3 72392473 SESAUOGVLBBHSY-AWEZNQCLSA-N 308.381 3.919 0 40 DHAB CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccsc2)cs1 76066790 MDBZFTBRASVGSF-JTQLQIEISA-N 310.444 3.574 0 40 DHAB O=C(C[C@@H]1C=CCC1)N1CCC(Oc2ccc(F)cc2)CC1 79360275 YCSHEEMTYZRXJQ-CQSZACIVSA-N 303.377 3.552 0 40 DHAB CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1OC(F)F 86365597 DPQMFKQXZJEOOL-LBPRGKRZSA-N 300.349 3.789 0 40 DHAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C)c1cccc(F)c1 89948705 RVJQIQFQXDVDQY-IYOUNJFTSA-N 318.436 3.513 0 40 DHAB C[C@@H](NCCc1cnn(C)c1)c1ccc(SC(F)F)cc1 95420642 UOSMUIZPOYMBKM-LLVKDONJSA-N 311.401 3.628 0 40 DHAB Cc1ccc(CNCc2ncc(C)s2)c(Br)c1 95973532 PDHPJYAQKQIYDF-UHFFFAOYSA-N 311.248 3.812 0 40 DHAB CCS[C@@H]1CC[C@@H](N(C)C[C@H](O)c2ccc(Cl)cc2)C1 95983582 YFYKQIQQWSWSKV-OAGGEKHMSA-N 313.894 3.979 0 40 DHAB CO[C@H](CNC(=O)c1ccc(Cl)s1)c1cccc(F)c1 96388024 ICIAZXCZXWVDEG-LLVKDONJSA-N 313.781 3.658 0 40 DHAB COC1CCN(c2ccc3cccc(Br)c3n2)CC1 96474547 UHEIWDPEKAXEFR-UHFFFAOYSA-N 321.218 3.613 0 40 DHAB Cc1cscc1C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 96476173 WGHJFWHMWWHBQW-UHFFFAOYSA-N 311.410 3.719 0 40 DHAB CC1CCC(CN(C)C(=O)NC[C@H]2CCO[C@H]2C(C)C)CC1 97012060 OOGQGRLYLLMNAG-BACDZXNISA-N 310.482 3.515 0 40 DHAB CC(=O)N1CCC(Nc2cc(-c3ccco3)ccc2F)CC1 97022841 JJHZGGISCLDFPE-UHFFFAOYSA-N 302.349 3.509 0 40 DHAB COC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C)o3)s2)C1 97081277 QWKLKCQJLLQPPQ-ZDUSSCGKSA-N 319.426 3.815 0 40 DHAB CC1CCN(C[C@@H](O)CCO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 104489270 VKHVDMQUWAJNHZ-GNBUJSLZSA-N 323.521 3.701 0 40 DHAB Cc1ccsc1C(=O)/N=c1\ccccn1Cc1ccccc1 105321713 CCGAKZWUNYRJKI-KNTRCKAVSA-N 308.406 3.647 0 40 DHAB C[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CCO1 108166849 DUGRLGVSAQDDHK-WZRBSPASSA-N 315.335 3.698 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3)cc2)n1 148093699 APXACCQDJRSNON-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CCc1ccc(OCCNC(=O)CSc2ccccc2)cc1 223387835 MJDOVJVMZXFIHB-UHFFFAOYSA-N 315.438 3.536 0 40 DHAB COc1cccc(C(=O)N2CCS/C2=C/c2cccs2)c1 225234329 WCVREQQVCBTDSJ-RVDMUPIBSA-N 317.435 3.944 0 40 DHAB CC[C@@H](C)NC(=S)Nc1ccc(Br)c(C)c1 225271178 LYRSCZRAELXPSH-SECBINFHSA-N 301.253 3.842 0 40 DHAB CCc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2n1C 225895895 ABRQFQTUDOMSPX-UHFFFAOYSA-N 311.429 3.756 0 40 DHAB CCCN(CCC)c1ccc(N)cc1C(=O)N1CCCCC1 226323595 ZLVPMDCJGGXAGZ-UHFFFAOYSA-N 303.450 3.521 0 40 DHAB O=C(CSCc1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 408869328 BXASYGPGRDTMSZ-CORIIIEPSA-N 309.862 3.878 0 40 DHAB CCNC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 408972062 PIEDFFUOWJNUNN-UHFFFAOYSA-N 304.198 3.966 0 40 DHAB O=C(c1csc2c1CCCC2)N1CCC[C@H](c2ccno2)C1 585273210 YLEHUSJCZCBTJD-LBPRGKRZSA-N 316.426 3.635 0 40 DHAB c1ccc(-c2cccc(C3=N[C@H]4c5ccccc5C[C@H]4O3)n2)nc1 1988182122 VJSIMJSVSGCYRU-MOPGFXCFSA-N 313.360 3.586 0 40 DHAB c1ccc2sc(N3CCC(Oc4nccs4)CC3)nc2c1 2086889310 FYELHQJUQIHDQJ-UHFFFAOYSA-N 317.439 3.801 0 40 DHAB O=C(CCc1ccco1)NCc1ccc(-c2ccc(F)cc2)o1 29675732 WPOCAECUUSYDMR-UHFFFAOYSA-N 313.328 3.928 0 40 DHAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2)CC1 299280 XUPYFJVHOULUCN-UHFFFAOYSA-N 322.452 3.557 0 40 DHAB Clc1ccccc1[C@@H]1C[C@H](c2ccco2)n2ncnc2N1 350199 MLMQEBHBKVYIKT-QWHCGFSZSA-N 300.749 3.671 0 40 DHAB Cc1nc2ccccn2c1-c1csc(NC(=O)c2ccco2)n1 411578 JVYCHPAHDFVLEG-UHFFFAOYSA-N 324.365 3.612 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1 569736 BDRJFCUNTSTAJG-UHFFFAOYSA-N 310.397 3.613 0 40 DHAB CCc1ccc([C@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1 1002323 FVBCXPOWFVHVEH-ZDUSSCGKSA-N 313.397 3.757 0 40 DHAB CCN(CC)C[C@H](OC(=O)c1ccc(N)cc1)c1ccccc1 1586350 PEBXPUDNDKRUQN-SFHVURJKSA-N 312.413 3.509 0 40 DHAB CCOP(=O)(OCC)Oc1cc(C)c(N(C)C)c(C)c1 1719937 MEGPIFVRYWRYDD-UHFFFAOYSA-N 301.323 3.929 0 40 DHAB S=C(NCc1ccc(Cl)nc1)Nc1ccccc1Cl 6251863 UGWCBIPJBUUICI-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB CCN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc23)C1=O 6951101 RYBGQHQGWXACLZ-LDADJPATSA-N 316.360 3.906 0 40 DHAB COCCCCNC(=O)c1sc(-c2ccccc2)cc1OC 53404715 GMIFKUUATVHQDO-UHFFFAOYSA-N 319.426 3.580 0 40 DHAB COc1ccccc1COC(=O)COc1ccc2ccccc2c1 10593098 WUESITYOVOZZJY-UHFFFAOYSA-N 322.360 3.971 0 40 DHAB Cc1cc(C)c2cc(Br)c(Br)nc2n1 8409904 HRUFLBUULMMYLR-UHFFFAOYSA-N 315.996 3.772 0 40 DHAB CC[C@@H](C)c1ccc(OC[C@H]2CCNC2)c(Br)c1 42770402 VNQGNGYCEHFOAQ-NEPJUHHUSA-N 312.251 3.951 0 40 DHAB CCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCc2ccccc21 12520506 ZJXBMZKPKVRROM-AWEZNQCLSA-N 319.408 3.749 0 40 DHAB CCOC(=O)c1cc(C(C)C)cc(Br)c1OC 57339295 OMZXOPFRWNTUMO-UHFFFAOYSA-N 301.180 3.758 0 40 DHAB C[C@@H](Cc1cccs1)NC(=O)COc1ccc(Cl)cc1 3211556 SDEDOVOABWMCIK-NSHDSACASA-N 309.818 3.528 0 40 DHAB O=C1CC[C@H](CNCCC(c2ccccc2)c2ccccc2)O1 68605947 JYCFYBNBSSKUKB-GOSISDBHSA-N 309.409 3.504 0 40 DHAB CC1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 54584324 PAGBEBYEWYUYKO-UHFFFAOYSA-N 316.376 3.672 0 40 DHAB CC(C)(C)n1cc(C(=O)Nc2nc3c(s2)CCCCC3)cn1 48250494 QLGJJGGOPAGBDS-UHFFFAOYSA-N 318.446 3.616 0 40 DHAB CCCn1c(NC(=O)c2ccc(N(C)C)cc2)nc2ccccc21 10652697 XWWXTTMQQUSHAL-UHFFFAOYSA-N 322.412 3.765 0 40 DHAB CCOC(=O)c1c(NC(=O)NC(C)C)sc2c1CC[C@H](C)C2 36646047 SGRDQFUMMWCBTR-JTQLQIEISA-N 324.446 3.580 0 40 DHAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1F)c1ccccc1 12793554 FKIICZMBFHNEMS-CQSZACIVSA-N 315.344 3.745 0 40 DHAB CN(C(=O)CN1CCC[C@H]1c1cccs1)c1ccccc1 48301113 GBTLHNXNADIYKG-HNNXBMFYSA-N 300.427 3.548 0 40 DHAB CC[C@@H](c1ccc(Cl)cc1)N1CCC(NC(=O)C2CC2)CC1 48366861 BKSMYLAKUSUPLG-KRWDZBQOSA-N 320.864 3.782 0 40 DHAB COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 29507634 VOVIGVCLFRIEEU-UHFFFAOYSA-N 307.353 3.646 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1 8707576 WMRLOXLQKISBKM-KRWDZBQOSA-N 311.406 3.853 0 40 DHAB CCOC(=O)c1oc2nc(CC(C)C)c3c(c2c1N)CCCC3 13207085 RBIXINSXHKWUMI-UHFFFAOYSA-N 316.401 3.664 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)NC1CCC(C)CC1 14198973 YWLBKBIZZMRVIB-UHFFFAOYSA-N 300.377 3.991 0 40 DHAB Cc1cccc(-c2nnc3n2N=C(c2ccccc2C)CS3)c1 5562759 DOCHRRDXPPHDED-UHFFFAOYSA-N 320.421 3.920 0 40 DHAB CCc1nnc(NC(=O)Cc2coc3c(C)c(C)ccc23)s1 6809919 FHXRADQBHUCDSG-UHFFFAOYSA-N 315.398 3.645 0 40 DHAB c1coc(-c2nnc(CN3CCC[C@@H]3c3cccs3)o2)c1 15301433 NPDOQGAXROKWBK-LLVKDONJSA-N 301.371 3.728 0 40 DHAB Cc1nnc(SC[C@H]2CC2(Cl)Cl)n1-c1ccccc1 9142908 KRHOTDWAOOVLJA-SNVBAGLBSA-N 314.241 3.862 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(F)c1 7944888 JZJUHMYIOJPHHS-SFHVURJKSA-N 324.355 3.728 0 40 DHAB O=C(C[C@H]1CCOc2ccccc21)Nc1ccc2c(c1)COC2 91681620 DPLVKVQTEMOVNF-CYBMUJFWSA-N 309.365 3.612 0 40 DHAB CC(C)CO[C@H]1C[C@H](OC(=O)c2ccc(F)cc2F)C1(C)C 84544343 WFUYSQCFHKFGLS-GJZGRUSLSA-N 312.356 3.961 0 40 DHAB O=C(Cc1coc(-c2ccccc2)n1)N[C@H]1CCCc2occc21 84564701 RURWNFCCNFRRHO-INIZCTEOSA-N 322.364 3.671 0 40 DHAB Cc1occc1C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 95418203 IPLGWZSFLSGKSH-HOCLYGCPSA-N 317.385 3.690 0 40 DHAB Cc1cc([C@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c(C)s1 95968568 GIEMTTHYQUQLEW-JQWIXIFHSA-N 305.491 3.997 0 40 DHAB C[C@H](NCCCC(=O)N1Cc2ccccc2C1)c1ccsc1 89597231 NROAUEHZQRJJEQ-AWEZNQCLSA-N 314.454 3.721 0 40 DHAB Cc1ccc(C)c2c(C)c(C(=O)NC[C@]3(C)CCCO3)oc12 75110803 JHLUXFPLQJTISC-SFHVURJKSA-N 301.386 3.657 0 40 DHAB C[C@@H]1CCc2onc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1 20572115 YJWRVNUFPFYGHM-MRVPVSSYSA-N 308.740 3.844 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccc(Br)o2)cc1 32610134 MBZKFYZKOWKZKV-VIFPVBQESA-N 324.174 3.542 0 40 DHAB O=C(CSCc1ccc(Cl)cc1F)NC1CCCC1 187954612 BCBUVGCSWMBAAT-UHFFFAOYSA-N 301.814 3.771 0 40 DHAB CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 37817057 WPRYWCOBIGKQKG-AWEZNQCLSA-N 317.260 3.714 0 40 DHAB CC1CCN(c2c(N)cc(C(=O)OC(C)C)cc2Cl)CC1 70462611 BPCHWEMHERUUSU-UHFFFAOYSA-N 310.825 3.724 0 40 DHAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)nc1C 225897543 SZEBPFPRFSZMDI-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB Cc1cc(Cl)cnc1NC(=S)NCc1ccc(F)cc1 223946866 MKCDGLPENHOBGR-UHFFFAOYSA-N 309.797 3.669 0 40 DHAB CCc1ccc(CC(=O)N[C@@H]2CCCc3cc(OC)ccc32)cc1 224456843 VFCLWEKIKKAGGY-HXUWFJFHSA-N 323.436 3.994 0 40 DHAB Cc1cccc(CSCCNC(=O)Cc2ccc(F)cc2)c1 224939696 GJDHYSVKOGFRTI-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB Cc1ccc(/C=C/CC(=O)N2CCc3ccc(O)cc3C2)cc1 225486238 NAYLGGLRWAVSNP-NSCUHMNNSA-N 307.393 3.689 0 40 DHAB COc1ccc(NC(=S)NC(C(C)C)C(C)C)cc1OC 225326414 OHHAQJRPHGWCDY-UHFFFAOYSA-N 310.463 3.671 0 40 DHAB COc1ccccc1CN(C)C(=O)Cc1ccccc1Cl 45477030 FQBBXGMRKDXKNR-UHFFFAOYSA-N 303.789 3.550 0 40 DHAB CC(C)Cn1ccnc1CNC(=O)Nc1cc(Cl)ccc1F 96433806 FEXDQNCYKQWGGW-UHFFFAOYSA-N 324.787 3.653 0 40 DHAB CC[C@H]1C[C@@H](NC(=O)NCc2ccccc2CC(C)C)CCO1 528020866 DRBNPWXDAWEQNA-ROUUACIJSA-N 318.461 3.642 0 40 DHAB COc1cc(C(=O)c2ccc(C)cc2C)cc(OC)c1OC 95916818 RBHIUMAKGUXUHP-UHFFFAOYSA-N 300.354 3.560 0 40 DHAB C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccccc1 68592941 HKNRFSKVNVFHFO-GOEBONIOSA-N 304.434 3.564 0 40 DHAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(OC)c1 19931446 FUKNLPRRRIHTAR-CQSZACIVSA-N 313.397 3.972 0 40 DHAB CN(C)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 3301249 IRHHDCQFYGGABT-UHFFFAOYSA-N 304.390 3.623 0 40 DHAB F[C@@]1(c2nc(-c3ccccc3)no2)CCN(Cc2ccccc2)C1 1888930605 UKTFQKWSXQZVMF-IBGZPJMESA-N 323.371 3.807 0 40 DHAB Cc1cc(OC[C@H](O)CN2CCCC[C@@H]2C)cc(C)c1Cl 3893518 QHCAZSIDWTYHKC-LSDHHAIUSA-N 311.853 3.571 0 40 DHAB COC(=O)/C(=C1/Oc2c(C)cc(C)cc2S1)C(F)(F)F 4141933 DHXLTOMAUJNWCT-FMIVXFBMSA-N 304.289 3.735 0 40 DHAB O=C(CCn1cc(Cl)cn1)Nc1c(Cl)cccc1Cl 28229255 TUZFSNRMGIIQHY-UHFFFAOYSA-N 318.591 3.872 0 40 DHAB C[C@](O)(CNC(=O)c1cc2ccccc2s1)c1cccs1 225621668 FYDQYAUDKKDWJQ-INIZCTEOSA-N 317.435 3.600 0 40 DHAB COc1cccc(C=O)c1OCCCCN1CCCCCC1 217793050 PCJRZYVSPNXKBB-UHFFFAOYSA-N 305.418 3.543 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N1CCCc2ccc(F)cc21 40117120 LWUYSZQZTLIIFW-UHFFFAOYSA-N 308.356 3.829 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H]1C[C@H]2C=C[C@H]1C2 100699871 UZWVNYWWHCIFCW-BZSNNMDCSA-N 307.441 3.791 0 40 DHAB Cc1nc(-c2cccc(Oc3nccc(C(F)(F)F)n3)c2)no1 40555457 ITSFXEJLJRWPMP-UHFFFAOYSA-N 322.246 3.646 0 40 DHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 32667879 GKEYUFNPDDVGIS-MEDUHNTESA-N 317.772 3.815 0 40 DHAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C)c1C 27784 PIJAQFZTUPYATR-UHFFFAOYSA-N 321.373 3.933 0 40 DHAB CCN(CC)C(=O)C[C@H](c1ccco1)c1ccccc1OC 487655 XDLXZJAOALFEPY-HNNXBMFYSA-N 301.386 3.679 0 40 DHAB biogenic Cc1ccc(S(=O)(=O)CC(=O)c2ccc3ccccc3c2)cc1 566938 YESNMJLJKUVLGG-UHFFFAOYSA-N 324.401 3.805 0 40 DHAB COC(=O)C(=O)N(c1cc(C)ccc1C)c1cc(C)ccc1C 1602147 HMQSJDQZKQGMJX-UHFFFAOYSA-N 311.381 3.758 0 40 DHAB O=C(c1ccc(CN2CCCC2)cc1)c1cc(F)cc(F)c1 2514590 KRRCOINVEADLGF-UHFFFAOYSA-N 301.336 3.792 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)nc1 2646065 WLEUPZDRLSIYAE-UHFFFAOYSA-N 307.737 3.736 0 40 DHAB Cc1ccc(-n2c(N)c(C(=O)NC(C)C)sc2=S)c(C)c1 3320340 AYSOSTXLGMCKHG-UHFFFAOYSA-N 321.471 3.606 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(OC(F)F)cc1 3411443 YOMRIARSGAKQCS-NSHDSACASA-N 321.323 3.788 0 40 DHAB COc1ccc(C(=O)CSc2ncnc3ccccc23)cc1 4162994 GIFLZYQKPKNUHC-UHFFFAOYSA-N 310.378 3.613 0 40 DHAB Clc1ccc(OCCCCn2nnc3ccccc32)cc1 4487662 QGIHATARRHUIPZ-UHFFFAOYSA-N 301.777 3.944 0 40 DHAB CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N 5138387 GMICNERLJRJXAS-UHFFFAOYSA-N 306.386 3.582 0 40 DHAB Cc1ccc2[nH]cc(CCn3c(C)nc4ccccc4c3=O)c2c1 5274206 YZGRNKAPHIGWLV-UHFFFAOYSA-N 317.392 3.737 0 40 DHAB O=C(Cc1c(F)cccc1Cl)NCc1ccccc1Cl 5679112 LXVOCRICIXVGGW-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccccn1 6848089 SKXWDASDVBORHZ-UHFFFAOYSA-N 316.404 3.650 0 40 DHAB Cc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c(Cl)c1 7132560 ZOLCGRSDQDITOO-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc2ccccc2c1 7780920 KLIMMJXGGPOKOC-CQSZACIVSA-N 320.392 3.771 0 40 DHAB CC(C)[C@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 8133577 VYGHQZCMOHUPMB-INIZCTEOSA-N 313.426 3.680 0 40 DHAB Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)O)cc1 8277978 FLEWOISTIWVTTM-GIJQJNRQSA-N 303.745 3.862 0 40 DHAB O=C1CCCN1c1cccc(-c2csc(N3CCCC3)n2)c1 8296869 VCLGWGJSILAIFP-UHFFFAOYSA-N 313.426 3.537 0 40 DHAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1sccc1C 8310033 BVEBFTYIFMEELY-ZDUSSCGKSA-N 318.442 3.524 0 40 DHAB O=C(Cc1cnc(-c2ccccc2F)s1)Nc1nccs1 12322129 IWMUCMXIMZMNQU-UHFFFAOYSA-N 319.386 3.587 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ccccc21 12878962 HFAHXYGPWNEARM-SJKOYZFVSA-N 315.800 3.911 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)c1cnc2c(cnn2C(C)C)c1 12907264 OESKCPSFZDGEGN-AWEZNQCLSA-N 322.412 3.812 0 40 DHAB O=C(NC1=NCCS1)c1cc2sc3ccccc3c2s1 12978929 RGRGUYOAKAMLKS-UHFFFAOYSA-N 318.448 3.949 0 40 DHAB COc1ccc(C(=O)Nc2cccc3cccnc23)c(OC)c1 13011861 JACBJEYAPLACIW-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 14795978 MKFDVDOQWSXFTF-UHFFFAOYSA-N 304.390 3.706 0 40 DHAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(O)cc1O 18067999 YPMXAGDKLCZEPD-UHFFFAOYSA-N 312.325 3.679 0 40 DHAB Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 19736383 GPUVZMNLMBMQSD-LLVKDONJSA-N 304.777 3.637 0 40 DHAB CC(C)c1ccc([C@H](CN)N2CCc3sccc3C2)cc1 19770048 JWGZANXWSYSDOX-KRWDZBQOSA-N 300.471 3.930 0 40 DHAB in-vitro COc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)cc1 20105689 KMRZNRTUFFRAOV-OAHLLOKOSA-N 313.397 3.732 0 40 DHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccnc1 20458253 OFRRXRCZCMPPNN-IBGZPJMESA-N 320.392 3.709 0 40 DHAB CC[C@@H](Nc1cc(C)nc2ncnn12)c1ccc(Cl)cc1 22136454 HXLBMYSCEKGYAX-CYBMUJFWSA-N 301.781 3.649 0 40 DHAB C[C@H]1CN([C@H](C)c2nc3ccccc3n2C(F)F)C[C@@H](C)O1 23016464 WBWROZJWISAZMY-GRYCIOLGSA-N 309.360 3.602 0 40 DHAB CCCCOCCCNC(=O)c1cccc2c3c([nH]c12)CCC3 23082683 RCQQSLKASSWKTI-UHFFFAOYSA-N 314.429 3.593 0 40 DHAB CN(Cc1ccc(Cl)cc1Cl)Cn1ccn(C)c1=S 23466446 LQLGFNCPUKIJQW-UHFFFAOYSA-N 316.257 3.952 0 40 DHAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3OC)cc2c1 25765216 IXHFQWLTOLWFJJ-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB Clc1snnc1CSc1nnc(-c2cccs2)o1 28230241 IQUWNPZNVGYCAA-UHFFFAOYSA-N 316.820 3.595 0 40 DHAB CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(C)cc2C)n1 28237458 KAEAKMFDTXYMIH-LBPRGKRZSA-N 305.809 3.664 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C 28577376 SYQVMHDWPSBPAF-HNNXBMFYSA-N 303.427 3.651 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)NC2(c3ccccc3)CCC2)c1 30384521 CCVLTUVXCSVFTR-UHFFFAOYSA-N 315.438 3.661 0 40 DHAB Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c(O)c1 31287419 ZBEXHOOREFGZLE-UHFFFAOYSA-N 324.355 3.520 0 40 DHAB CC(C)CNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 32794806 KNAKEHHULLVPCL-OAHLLOKOSA-N 306.406 3.932 0 40 DHAB Cc1ccc(OCc2nnsc2Cl)c2c1[C@@H](C)CC2=O 32858471 KPKNIKSGEYLQIS-QMMMGPOBSA-N 308.790 3.769 0 40 DHAB O=C(c1ccc(-c2ccccc2Br)o1)N1CCCC1 41127320 PJYSFBOOSWVEKE-UHFFFAOYSA-N 320.186 3.945 0 40 DHAB Cc1noc(C)c1CC(=O)O[C@@H](c1ccccc1)c1ccccn1 42622480 GVSRQOQWCVEUEH-IBGZPJMESA-N 322.364 3.562 0 40 DHAB CCCCN(CC)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 44935687 QVLHHELQOHNMKK-UHFFFAOYSA-N 305.422 3.935 0 40 DHAB C[C@@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@H]1CCc2ccccc21 56769568 HOKZPJKYUZCRIA-LIRRHRJNSA-N 324.424 3.652 0 40 DHAB NC(=O)c1cc(NC(=O)c2sccc2C2CC2)ccc1Cl 65535516 OXDVCFBMVFYQRQ-UHFFFAOYSA-N 320.801 3.630 0 40 DHAB S=C(NCc1ccccc1N1CCCC1)NC1CCCCC1 66008967 OAEHIHDYQSSIQX-UHFFFAOYSA-N 317.502 3.584 0 40 DHAB FC(F)(F)c1cc(NCc2ccco2)nc(-c2ccccn2)n1 69583468 XHIDQUAJNGFGJX-UHFFFAOYSA-N 320.274 3.763 0 40 DHAB CC[C@@H](C(=O)N[C@@H]1CCc2cc(F)ccc21)c1c(C)noc1C 71853787 GRQURZKPBYWOIX-GDBMZVCRSA-N 316.376 3.728 0 40 DHAB COc1ccccc1C[C@H](C)N(C)C(=O)c1ncoc1C(C)C 72501873 MTHZSTPOBFCYFN-ZDUSSCGKSA-N 316.401 3.510 0 40 DHAB CCO[C@@H](CCNC(=O)c1csc(-c2ccoc2)n1)C(C)C 74294018 XTEQXKKJSHUCLI-AWEZNQCLSA-N 322.430 3.584 0 40 DHAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 80344749 YACJHPDKODYZNK-HOTGVXAUSA-N 309.365 3.508 0 40 DHAB Cc1ccc2c(C)c(F)cc(I)c2n1 85399577 LHXBUAGNGXMYCQ-UHFFFAOYSA-N 301.102 3.595 0 40 DHAB O=C(c1cscn1)N1CCCC[C@@H]1CCc1ccccc1 89880082 AWZQAJYJARDLNI-OAHLLOKOSA-N 300.427 3.771 0 40 DHAB COc1ccc([C@H](C)[C@@H](C)NCCc2ncc(C)s2)cc1 95423296 VRDJJHUMCQFDFW-ZIAGYGMSSA-N 304.459 3.784 0 40 DHAB CC(C)C[C@H](NC[C@H](O)c1ccccc1F)c1ccccn1 95967384 POFNULPCOJSEBD-ROUUACIJSA-N 302.393 3.631 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1 96125647 KAXHURZYWYUPKL-SNVBAGLBSA-N 307.752 3.979 0 40 DHAB COC(=O)c1s/c(=N/c2ccccc2)n(-c2ccccc2)c1C 100841057 WPCBYDGPTCHRBL-VHEBQXMUSA-N 324.405 3.866 0 40 DHAB O=[S@](CCc1cccs1)Cc1coc(-c2ccccc2)n1 190756439 CISXAQBSLZWBHP-OAQYLSRUSA-N 317.435 3.895 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccccc2OC(C)C)cc1 219741936 ZAWKPPWCZIVTEA-CQSZACIVSA-N 313.397 3.973 0 40 DHAB CCOc1cccc(NC(=S)NCc2ccccc2OC)c1 225312857 DLZWLAUKEUBTTE-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB Cc1ccc(Nc2ccc(N)cc2C(=O)N2CCCC2)c(C)c1 225464706 KOTCPWOYRCYPRH-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB CCOc1ccc(N[C@@H](c2ccc(F)cc2)c2cnccn2)cn1 225578530 MNHSPXUERXPIKE-SFHVURJKSA-N 324.359 3.611 0 40 DHAB COc1ccc(N(C)C(=O)c2cc(-c3ccccc3)on2)cc1 225898254 JVEYWHOMUKSWNT-UHFFFAOYSA-N 308.337 3.627 0 40 DHAB C[C@H](NC(=O)c1ccc2oc(Cl)nc2c1)c1ccccc1 225977449 OUFDHICMHGGDGB-JTQLQIEISA-N 300.745 3.972 0 40 DHAB O=C(O)c1ccccc1C(=O)O[C@@H]1C[C@H]2CC3(CC3)[C@H]1C21CC1 247426166 SPLOOJZSTBSGKD-GLQYFDAESA-N 312.365 3.510 0 40 DHAB O=C(c1cccc2ccccc12)N1CC[C@@H](Oc2ccncc2)C1 253408445 XYQSCBBPPPLWCS-QGZVFWFLSA-N 318.376 3.528 0 40 DHAB Cc1cncc(C2CCN(Cc3ccnc4ccccc34)CC2)n1 257209480 BQOCWEBYSBZJRK-UHFFFAOYSA-N 318.424 3.713 0 40 DHAB O=C(c1cccc([C@@H]2CCOC2)c1)N1CCc2c(F)cccc21 274056804 OGDBDFXMPIASMP-OAHLLOKOSA-N 311.356 3.533 0 40 DHAB COC(=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1Cl 409008542 XOSAKXOFGZXXMR-VOTSOKGWSA-N 307.689 3.634 0 40 DHAB CCc1ccccc1CCN1CCc2ccc(C(=O)O)cc2C1 517241151 JNXOBBJVZDVRBC-UHFFFAOYSA-N 309.409 3.548 0 40 DHAB Cc1nc(C)c(C(=O)N2CCS[C@H]2c2ccccc2)s1 585463339 WPHCMZFOFUYTQB-HNNXBMFYSA-N 304.440 3.648 0 40 DHAB O[C@@H](Cn1nncc1-c1cccc(Cl)c1)C1CCCCC1 642813725 LHQSLWFXZINMTN-INIZCTEOSA-N 305.809 3.540 0 40 DHAB Cc1cc2c(C(=O)O)cc(C3CC3)nc2cc1Br 1857793921 WVKYMMXEGDPXEZ-UHFFFAOYSA-N 306.159 3.881 0 40 DHAB Cc1sc2ncn3cnnc3c2c1-c1ccc(Cl)cc1 102350 IUOYTRVGOVSDNU-UHFFFAOYSA-N 300.774 3.968 0 40 DHAB Cc1nc2sc3c(c2c2nnc(-c4ccccc4)n12)CCC3 351578 NEAGAHSHDGJSBP-UHFFFAOYSA-N 306.394 3.803 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1 386387 MGIVVJMJCKCAQD-UHFFFAOYSA-N 321.323 3.868 0 40 DHAB CCC(=O)NC1CCC(CC2CCC(NC(=O)CC)CC2)CC1 484106 JEUOYYIJGSLKOQ-UHFFFAOYSA-N 322.493 3.547 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(CCN(C)C)c1ccccn1 1587109 VNOZVPYTFVZKPD-AWEZNQCLSA-N 303.837 3.864 0 40 DHAB Cc1ccc(C)c(CSc2nnc(CCCCCN)o2)c1 1900814 UKADSFQZSYHSPV-UHFFFAOYSA-N 305.447 3.650 0 40 DHAB CCCC[C@@H](C[C@@H](C)O)c1nnc(S)n1-c1ccccc1 2261967 KLIVYBXUYVJJHP-OLZOCXBDSA-N 305.447 3.601 0 40 DHAB CC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@H]2[C@@H]1c1ccco1 4555191 GUESWBIUECWPCJ-JCURWCKSSA-N 301.317 3.604 0 40 DHAB Cc1ccc2c(CSc3nnc(C)s3)cc(=O)oc2c1 5054047 MJVARFQBCNMJAC-UHFFFAOYSA-N 304.396 3.554 0 40 DHAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1 5111755 AHUUMJFPVOHAIF-HNNXBMFYSA-N 305.377 3.924 0 40 DHAB Cc1cccc(C)c1-n1nnnc1SCC1CCCCC1 6589767 GKEYEZSHCZCRHO-UHFFFAOYSA-N 302.447 3.952 0 40 DHAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccncc1 6886572 BFHVHYUVYJSBHI-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB O=C1C[C@@H](c2ccccc2F)c2c(-c3ccccc3)n[nH]c2N1 6909431 BNQGGQUFILYMRW-ZDUSSCGKSA-N 307.328 3.690 0 40 DHAB CC(=O)c1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 7107771 GBXSZNCZQHMBIB-UHFFFAOYSA-N 321.735 3.699 0 40 DHAB CCCCn1c(SCc2cccc3ccccc23)n[nH]c1=O 7344990 LELWPRAFKWDFKP-UHFFFAOYSA-N 313.426 3.817 0 40 DHAB Cc1cccn2cc(CSc3nnc(NC(C)C)s3)nc12 8216123 WPFZUAFNBOVWAO-UHFFFAOYSA-N 319.459 3.607 0 40 DHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(F)c(F)c1 8320409 BSSBUHJJZHHELY-CQSZACIVSA-N 322.380 3.802 0 40 DHAB CSCc1nnc(Sc2ncnc3sc(C)c(C)c23)o1 8762001 BKXAYIKLQHVWGW-UHFFFAOYSA-N 324.456 3.705 0 40 DHAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(F)c3)C2)c1 8774887 FYYFJKMKBVXPNL-GOSISDBHSA-N 312.344 3.532 0 40 DHAB Cc1noc(C)c1C(=O)NC1(c2ccc(F)cc2)CCCC1 12155406 BAQIUALBNBQHMC-UHFFFAOYSA-N 302.349 3.630 0 40 DHAB CC(C)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)n(C)n1 12194773 KVNOHVVDPNLICL-ZDUSSCGKSA-N 311.429 3.523 0 40 DHAB Cc1cc(OCC(=O)N2CCc3sccc3C2)ccc1Cl 12215891 GDNGPPWXMVFODL-UHFFFAOYSA-N 321.829 3.674 0 40 DHAB O=C(CC1(C(=O)O)CCCCC1)Nc1cccc(Cl)c1F 13254382 HFOOUPLXBIARHI-UHFFFAOYSA-N 313.756 3.843 0 40 DHAB COc1ccc(C(=O)NCCCc2ccccc2Cl)cc1 13674965 RZGGAXARVTZLDB-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB COc1ccc(NC(=S)Nc2cc(C)ccc2F)cc1OC 13840277 JGOGSYJGXPDMHV-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 14258440 QWCIATYXOQUHNV-UHFFFAOYSA-N 310.397 3.852 0 40 DHAB Brc1ccc2cc(OC[C@H]3CCCNC3)ccc2c1 14631300 IQIPUZDCZQVKGC-LBPRGKRZSA-N 320.230 3.981 0 40 DHAB in-vitro Cc1ccc(OCc2nc(C)c(C(=O)NCC(C)C)s2)cc1 17128961 WCCCDMCGTBZHOR-UHFFFAOYSA-N 318.442 3.725 0 40 DHAB COc1ccc(CCNC(=O)Cc2ccc3ccccc3c2)cc1 17154589 GBZYZDQTQHJQOH-UHFFFAOYSA-N 319.404 3.750 0 40 DHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1Cc1cccc(Cl)c1 17879208 WQFDAFOEEOWAFA-UHFFFAOYSA-N 316.763 3.857 0 40 DHAB COc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1 19555192 PHGXRPREDRUJMC-KRWDZBQOSA-N 321.424 3.951 0 40 DHAB CCCN1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 20595089 YXCZZFRJVUTLNW-UHFFFAOYSA-N 315.244 3.598 0 40 DHAB O=C(CCc1ccc(-c2ccccc2)o1)NCCc1ccccn1 21773493 WNZXHBJBGMLVGU-UHFFFAOYSA-N 320.392 3.633 0 40 DHAB C[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1F 23269037 GBMRHCXPFKDKSR-ZDUSSCGKSA-N 309.344 3.502 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1 24587562 UMEYTOPMADKIOF-UHFFFAOYSA-N 307.353 3.523 0 40 DHAB CN(Cc1ccc2ccccc2c1)Cc1nnsc1Cl 25679421 VQIJJBWIMPDWRM-UHFFFAOYSA-N 303.818 3.977 0 40 DHAB CC(C)OCc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 25769187 KJLGKLMFBFJXHJ-UHFFFAOYSA-N 316.426 3.809 0 40 DHAB COc1ccc([C@@H](NCc2ccc3c(c2)OCO3)C(C)C)cc1 32124097 UDAWBYPLNRJPMH-IBGZPJMESA-N 313.397 3.911 0 40 DHAB biogenic C[C@H](NC(=O)CN1CCCC[C@H]1C)c1cccc2ccccc12 32753292 JPHNFGDUMGHUFQ-CVEARBPZSA-N 310.441 3.891 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)N(C)CCOc1ccc(Cl)cc1 32863297 ITWSQPXRHVCQDU-XJKSGUPXSA-N 324.852 3.939 0 40 DHAB CC(C)(C)OC(=O)N1CCC(NCc2ccccc2Cl)CC1 38876234 NNSZHIZQEYCMRR-UHFFFAOYSA-N 324.852 3.829 0 40 DHAB CC(C)(C)OC(=O)NCc1cccc(-c2ccc(CN)cc2)c1 40449496 DRPAEOSEEICRMW-UHFFFAOYSA-N 312.413 3.837 0 40 DHAB CCCc1cc(SCc2ccc(C(=O)OC)cc2)ncn1 44225091 DTWYXLVULKOKDH-UHFFFAOYSA-N 302.399 3.508 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(O)cc1 45529287 QWPMBZUDAKJRQX-HNNXBMFYSA-N 316.426 3.673 0 40 DHAB COc1ccccc1-c1nnc([C@H]2CCN(CCC(C)C)C2)o1 49170025 NKNIQZJUAULAIT-AWEZNQCLSA-N 315.417 3.581 0 40 DHAB biogenic,in-vitro O[C@H](CN1CC=C(c2ccccc2)CC1)c1cc(F)ccc1F 51112423 CFXBCXHQUZQJHC-LJQANCHMSA-N 315.363 3.788 0 40 DHAB CCc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)c1 51315547 YIJBLEICNWMGOB-UHFFFAOYSA-N 321.380 3.900 0 40 DHAB CN(CC(=O)Nc1ccc(O)cc1)Cc1cccc2ccccc12 53017235 ZVIFKKJIAKPJNC-UHFFFAOYSA-N 320.392 3.616 0 40 DHAB CCOc1ccccc1OC1CCN(C(=O)CCC(C)C)CC1 55622875 PFIDOVBNSVERMA-UHFFFAOYSA-N 319.445 3.891 0 40 DHAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1c[nH]nc1-c1ccccc1 71281144 YHQODNYYWKFQFH-ZDUSSCGKSA-N 321.384 3.978 0 40 DHAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cccc(O)c2)S1 71285031 UAARDSHNBVRMKH-CYBMUJFWSA-N 303.387 3.761 0 40 DHAB Cc1cn2cc(NC(=O)c3ncoc3-c3ccccc3)ccc2n1 71899359 VZUCMBAXSIFSDN-UHFFFAOYSA-N 318.336 3.550 0 40 DHAB Fc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 76555528 OYSHGKLBFYCLSK-UHFFFAOYSA-N 309.388 3.820 0 40 DHAB C[C@@H](CC(=O)Nc1ccccc1)NCC1(c2ccccc2)CC1 78355243 FFIGPJMDLZZBPJ-INIZCTEOSA-N 308.425 3.725 0 40 DHAB CCO[C@H](C)c1nc(COc2ccc3cn[nH]c3c2)cs1 89984949 NULPRJPSXVHKCX-SNVBAGLBSA-N 303.387 3.696 0 40 DHAB CC[C@@H](NC(=O)c1ccc2nccn2c1)c1ccc(C)cc1C 91914689 FHRFYQGAZWPEJE-QGZVFWFLSA-N 307.397 3.832 0 40 DHAB COc1ccc(CN2CCS[C@H](C)[C@@H]2C)c(Cl)c1OC 93501690 HADVHZUUVZZYJR-WDEREUQCSA-N 315.866 3.683 0 40 DHAB CCOC[C@@H]1COCCC12CCN(Cc1ccc(C)s1)CC2 96106392 PVRATHAPZBCMPG-MRXNPFEDSA-N 323.502 3.712 0 40 DHAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](C(C)C)S1 96118040 SEOCZJVLWDBOQT-WCQYABFASA-N 323.462 3.800 0 40 DHAB C[C@H](CSC(C)(C)C)Nc1cccc(N2CCCNC2=O)c1 97046004 HPDOOXQEJGAZQW-CYBMUJFWSA-N 321.490 3.938 0 40 DHAB Cc1ccc(N2CCC(C(=O)NCc3ccccc3C)CC2)cc1 219851745 AIYYNUSWOVUUAT-UHFFFAOYSA-N 322.452 3.836 0 40 DHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)[nH]1 222587895 KPWJNUCQURHGGQ-IUIKQTSFSA-N 312.442 3.616 0 40 DHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 222948241 YSOWHLSDGSQCAV-CABCVRRESA-N 317.483 3.916 0 40 DHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)nc1C 225886794 BDACXARLYLSADL-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CC(C)N(C[C@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(C)C 245229074 MPYNMCRQCDYTCP-VUHPKUFZSA-N 311.510 3.698 0 40 DHAB Cn1cccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409135051 PJYMUROGHZVSMY-GXDHUFHOSA-N 304.415 3.642 0 40 DHAB O=C(COCC1CC1)NCC1CCC(c2ccccc2)CC1 518645002 XWRZYBAJWZDPFZ-UHFFFAOYSA-N 301.430 3.503 0 40 DHAB c1ccc2nc(CN3CCC(OC4CCCC4)CC3)cnc2c1 585094254 XRLAZGRSRMOAJK-UHFFFAOYSA-N 311.429 3.553 0 40 DHAB CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 117803 WSSHAFHLMJMFEG-JTQLQIEISA-N 309.431 3.788 0 40 DHAB O=C(Cc1ccccc1F)Nc1ccc(Br)cc1 363550 BMVATLRXURPHIT-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB Cc1cc(C)cc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 3387769 GFAUFHXLZFVHFW-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB O=C(CSc1nc2ccccc2o1)Nc1c(F)cccc1F 3503814 MQGFPKAZXHAWOU-UHFFFAOYSA-N 320.320 3.837 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(OC(F)F)cc1 3523915 LIMOBNOQVTUEFR-UHFFFAOYSA-N 316.307 3.951 0 40 DHAB C[C@@]12CCC(=O)C[C@@]1(C)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@]12O 3844072 BFCOSNMGHLCEIQ-QTQWFBPBSA-N 318.457 3.672 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1F 4599298 QSKGZSROHOPAFA-UHFFFAOYSA-N 311.715 3.944 0 40 DHAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)NC2=O)cc1Cl 4695945 TVKFIFKCFCRHJY-OTIXFSKASA-N 311.790 3.841 0 40 DHAB COc1cc(C(=O)Nc2cccc(C)c2)cc(Cl)c1OC 6207198 NDOBBDFMYRFQBP-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(Cl)cc1 8560224 CUGCLVIKFZXEHO-UHFFFAOYSA-N 316.763 3.933 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)s1 9515797 MMAYMSGHHPYJSU-UHFFFAOYSA-N 304.802 3.855 0 40 DHAB CN(C[C@@H](O)COC12CC3CC(CC(C3)C1)C2)C1CCCCC1 10434720 JCZJSKJSPSUMIM-OFGIBPIPSA-N 321.505 3.597 0 40 DHAB CN1C(=O)Cc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 10825991 NOKDWVKMUNNLGQ-UHFFFAOYSA-N 316.360 3.611 0 40 DHAB CC(C)(C)NC(=O)CSc1nc(C2CC2)nc2ccccc12 10940580 WUVZTRGIXXDHNM-UHFFFAOYSA-N 315.442 3.514 0 40 DHAB CC(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccnc(C)c1 11683240 PSMQJDCTYGYQLZ-UHFFFAOYSA-N 319.364 3.754 0 40 DHAB O=C(Cc1c(Cl)cccc1Cl)Nn1cnc2ccccc21 12506997 GQOXYFGQIXXPTB-UHFFFAOYSA-N 320.179 3.656 0 40 DHAB COc1cccc(OCCSc2nc3ccccc3n2C)c1 12627865 WFTLMUXUDJUSIZ-UHFFFAOYSA-N 314.410 3.753 0 40 DHAB Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(F)cc3)ccc2o1 12983199 IVBDKPHXEWZAEK-JTQLQIEISA-N 314.316 3.681 0 40 DHAB COc1cc(C(=O)NCc2cccs2)ccc1OCC(C)C 13141501 MXWSJXWHPBONQF-UHFFFAOYSA-N 319.426 3.722 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1Cc2ccccc2S1 14047312 QYWHEIBSMNRKKV-SFHVURJKSA-N 322.433 3.544 0 40 DHAB O=C(CSc1n[nH]c2c1CCCC2)Nc1ccc(Cl)cc1 16428284 ZZCQDBGDWCWVAE-UHFFFAOYSA-N 321.833 3.673 0 40 DHAB Cc1ccc(N)cc1NC(=O)COc1ccc(Cl)cc1C 19736066 UGYLFKDVALATFX-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(Cl)cc1 20025460 QSYASOPQMFUKBL-LLVKDONJSA-N 319.788 3.848 0 40 DHAB CCN1CCN(C(=S)CC23CC4CC(CC(C4)C2)C3)CC1 20608797 PABMQTOQOOXFBA-UHFFFAOYSA-N 306.519 3.558 0 40 DHAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccccc2)cc1 22514050 FOPCQWUQQRAXIK-UHFFFAOYSA-N 322.437 3.667 0 40 DHAB O=C(Cc1noc2ccccc12)N1CCC[C@H]1c1ccccc1 22551722 QQLAZYOGEJOYCP-KRWDZBQOSA-N 306.365 3.734 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 23530216 NOTPDESUEFKEJY-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB Cc1[nH]c2c(C(=O)N3CCc4ccccc4C3)cccc2c1C 24537199 GUDYDFRRXRJWIA-UHFFFAOYSA-N 304.393 3.983 0 40 DHAB CC(C)c1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 26781059 JQKCVMHFHDPFRO-XYJFISCASA-N 305.462 3.813 0 40 DHAB Cc1cccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)n1 30477303 XYTSILMVSCSBKN-LLVKDONJSA-N 308.303 3.900 0 40 DHAB Cc1cccc(CS(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)c1 30758508 POELOEUWPBMZJO-INIZCTEOSA-N 317.454 3.792 0 40 DHAB CCc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 32656356 BYCFYKKICPRFEI-UHFFFAOYSA-N 309.409 3.936 0 40 DHAB CSc1ccc([C@H](C)NC(=O)NCc2ccccc2)cc1 32912701 HVDDUTXVMTUDOC-ZDUSSCGKSA-N 300.427 3.969 0 40 DHAB C[C@@H](Cc1ccccc1Cl)NC(=O)[C@]1(C)CC1(Cl)Cl 36393968 VPYGOURQJVQYOU-ZANVPECISA-N 320.647 3.971 0 40 DHAB Cc1nc(NCc2ccccc2)sc1C(=O)NCCC(C)C 40283175 GKVUCCLEZYZLAD-UHFFFAOYSA-N 317.458 3.840 0 40 DHAB CC(C)(C)c1nnc(CN2CCC[C@H]2c2ccc(F)cc2)o1 46855797 OBXCUAFSALCUHM-AWEZNQCLSA-N 303.381 3.843 0 40 DHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC1CCCC1 48256199 XXFQYRQHPSKVEJ-UHFFFAOYSA-N 303.406 3.654 0 40 DHAB CC(C)Oc1ccc([C@H](C)Nc2cc(Cl)nc(N)n2)cc1 52356143 HLSYFWUOGDUZOQ-JTQLQIEISA-N 306.797 3.673 0 40 DHAB Cc1cccc(C[S@](=O)CCCOc2ccc(F)cc2)c1 58158362 WKRHDTBDRIEQCU-NRFANRHFSA-N 306.402 3.852 0 40 DHAB COc1ccc([C@@H](NC(=O)Nc2nc(C)c(C)o2)C2CC2)cc1 65772749 LKOCQWXSSWKOTM-HNNXBMFYSA-N 315.373 3.573 0 40 DHAB O=C(O)CC/C(=C/c1csnn1)c1nc2ccccc2s1 71850120 PPGSGMLOTZVOOT-CLFYSBASSA-N 317.395 3.553 0 40 DHAB CC(C)(C)c1ccc(NC(=O)NCc2cnn3ccccc23)cc1 75162913 SFQWFDFDWHJAAA-UHFFFAOYSA-N 322.412 3.954 0 40 DHAB O=C(c1ccncc1F)N1CCSc2ccc(Cl)cc21 78079648 OKNBKYGVIMGXCO-UHFFFAOYSA-N 308.765 3.627 0 40 DHAB CSc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)o1 78996574 RMSDLLWPPJLRPM-SWLSCSKDSA-N 317.410 3.604 0 40 DHAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(F)cc1F 79100260 NJZOVFQJHMBSGM-LLVKDONJSA-N 320.339 3.765 0 40 DHAB CC[C@@H](C(=O)NCC[C@H](O)c1cc(C)oc1C)c1ccccc1 85561358 CSOGAEFFLOXZJO-AEFFLSMTSA-N 315.413 3.630 0 40 DHAB C[C@H]1C[C@H](NCCCc2cnn(C)c2)c2ccccc2S1 95421667 GENVDDMUZVGLPL-BBRMVZONSA-N 301.459 3.568 0 40 DHAB FC(F)(F)SCCNCc1ccc(Br)cc1 95918389 LSWUURNFSAUPKN-UHFFFAOYSA-N 314.170 3.792 0 40 DHAB COC(=O)c1cc(C(C)(C)C)cc(C(=O)OC)c1C(C)(C)C 96171656 YSSCXONQXJTCEX-UHFFFAOYSA-N 306.402 3.855 0 40 DHAB CC(C)c1ccc(CCN[C@H](C)c2nnc3n2CCCC3)cc1 97162464 AAAHFLOYYZUAFV-OAHLLOKOSA-N 312.461 3.631 0 40 DHAB Cc1ccccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1 100209670 XMGGFMRNBWXDIL-KHPPLWFESA-N 311.776 3.707 0 40 DHAB COc1cc(SC)ccc1NCc1noc(C(C)(C)C)n1 193505289 XHJLNDTVYPZVRF-UHFFFAOYSA-N 307.419 3.710 0 40 DHAB O=C(NCC[C@H](CCO)c1ccccc1)c1cccc(Cl)c1 206624944 XOABEEOJYPRODI-OAHLLOKOSA-N 317.816 3.626 0 40 DHAB COc1ccc(NC(=S)NCCCc2ccc(C)cc2)cc1 225386950 PZAQCQYLCXJFCF-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC(C)C 225841686 VTJNYGOCXFRDSS-SFHVURJKSA-N 303.446 3.885 0 40 DHAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cnc(O)c2ccccc12 527292633 DAQDBWOEPMPFFQ-XIKOKIGWSA-N 318.376 3.604 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@]3(CCN3CC(C)C)C2)c(C)c1 585102257 VSLLAZNIUYGVKZ-FQEVSTJZSA-N 314.473 3.640 0 40 DHAB CCOCC[C@H]1CCOC12CCN(Cc1ccccc1C)CC2 585105554 ZQZMNODVICHIBC-IBGZPJMESA-N 317.473 3.793 0 40 DHAB CCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 70850 XAWJINRTRUSQAI-ATVHPVEESA-N 307.349 3.738 0 40 DHAB O=c1oc(-c2cc(Cl)nc(Cl)c2)nc2cccc(F)c12 152798 XPMCSVXMHPHIOW-UHFFFAOYSA-N 311.099 3.696 0 40 DHAB C[C@H](CN1CCCC1)OC(=O)c1ccc(Cl)cc1Cl 383062 IILDXKCGGVSCJN-SNVBAGLBSA-N 302.201 3.635 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1OC 496576 KDWAZCXESNUAQZ-IEZBTEQYSA-N 311.381 3.594 0 40 DHAB CCOc1ccc(Cc2c(Cl)ncnc2N(CC)CC)cc1 539700 NWCLBMXATMVBDE-UHFFFAOYSA-N 319.836 3.966 0 40 DHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc(Cl)c1)C2 1369951 GVPMEJDOHTYMEW-IAGOWNOFSA-N 320.864 3.865 0 40 DHAB C[C@H]1CCc2sc(C(=O)Nc3ccc4c(c3)OCO4)cc2C1 3364370 NIBQMPNUFXIWMN-JTQLQIEISA-N 315.394 3.854 0 40 DHAB C[C@H]1CC[C@](C)(C(=O)COC(=O)Cc2ccccc2)C1(C)C 3846159 YBVCFOOQPVLIPF-IFXJQAMLSA-N 302.414 3.804 0 40 DHAB biogenic Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)O)cc12 3886310 CBYFTRBPUXVCOQ-UHFFFAOYSA-N 306.774 3.806 0 40 DHAB O=c1[nH]c2c(s1)[C@H]1c3ccccc3O[C@H]3CCC[C@H](S2)[C@H]31 4484431 RPODNVZRIFIAQZ-CYDGBPFRSA-N 317.435 3.604 0 40 DHAB COc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(C)cc23)cc1 4815619 HWASCRQXHDURGI-UHFFFAOYSA-N 308.381 3.975 0 40 DHAB CC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1 5094015 YCPWSHMQXFPQSI-UHFFFAOYSA-N 321.380 3.735 0 40 DHAB O=C(Cc1cccc2ccccc12)N1CC[C@]2(O)CCCC[C@H]2C1 6476723 SZQPESSSZJFZNG-GHTZIAJQSA-N 323.436 3.536 0 40 DHAB c1ccc2c(c1)ncn2CCCNc1ncnc2sccc12 7674265 BPWUOSZOVZRRGF-UHFFFAOYSA-N 309.398 3.543 0 40 DHAB Cc1cccc(CC(=O)Nc2ccc(Br)cc2)c1 8382896 DHRHUPKUOFQILA-UHFFFAOYSA-N 304.187 3.939 0 40 DHAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 8516873 FFCODTNWVFVHLF-QGZVFWFLSA-N 321.417 3.891 0 40 DHAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(C)C 9427349 USIWEOZXQKXTKP-UHFFFAOYSA-N 302.443 3.959 0 40 DHAB CCOc1ccc(CN2[C@H]3CC[C@@H]2c2cccnc2C3)cc1OC 12222197 QZUAMOFHHXXURY-MAUKXSAKSA-N 324.424 3.751 0 40 DHAB O=C(CC1CCCCC1)NCc1cc(-c2cccs2)on1 12725323 XCMLWXJDFITGHA-UHFFFAOYSA-N 304.415 3.990 0 40 DHAB COc1ccc(C(=O)Nc2ccc([C@@]3(C)CC=NO3)cc2)cc1 12854896 KUDHRQPBDGXRBN-GOSISDBHSA-N 310.353 3.569 0 40 DHAB Cc1cc(F)ccc1S(=O)(=O)N(C)[C@H](C)c1ccccc1 12882983 XZEXLCPOBYAGGN-CYBMUJFWSA-N 307.390 3.516 0 40 DHAB Cc1ccc(F)cc1NC(=O)C[C@@](C)(C(=O)O)c1ccccc1 13252649 APYDXHAQAAPCRM-GOSISDBHSA-N 315.344 3.505 0 40 DHAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCOCC1 14116774 VNXJRVBFOUOJKX-UHFFFAOYSA-N 311.381 3.631 0 40 DHAB COc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cn1 15616785 QWPGLKRRUOBPLU-UHFFFAOYSA-N 322.364 3.506 0 40 DHAB CC[C@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 18153133 JPTULZANJRJDLR-CQSZACIVSA-N 321.376 3.717 0 40 DHAB CCOC(=O)c1cc(NC(=O)c2ccccc2F)ccc1Cl 20051053 XWHBTDJKBURYIU-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB Cc1c(N)cccc1C(=O)Nc1ccc(Br)cc1 20194550 OAWPCAAPQBPDKY-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1OC 20455689 QUOACVUBXBPJHW-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)c2sccc2C)cc1 27610041 WHRUALXZEFVABV-GFCCVEGCSA-N 316.426 3.896 0 40 DHAB O=C(Nc1nncs1)c1cccc2c3c([nH]c12)CCCCC3 31273284 FTHFZIYSVGRROC-UHFFFAOYSA-N 312.398 3.541 0 40 DHAB COc1cccc(COc2cccc3cccnc23)c1C(=O)O 35973586 OHGRLOJUNJBLIA-UHFFFAOYSA-N 309.321 3.521 0 40 DHAB Cc1cc(C)c2cc(C(=O)NCCc3csc(C)n3)[nH]c2c1 37149066 ZPAQARXMCOYHEF-UHFFFAOYSA-N 313.426 3.522 0 40 DHAB Cc1cnn(C)c1C(=O)Nc1nc2ccc3ccccc3c2s1 38506293 SUZNXPKAAKZYAG-UHFFFAOYSA-N 322.393 3.744 0 40 DHAB Cc1cc(C(=O)COc2ncnc3ccccc23)c(C)n1C(C)C 39588340 CRJVNZXNUIJCSL-UHFFFAOYSA-N 323.396 3.891 0 40 DHAB Cc1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)[nH]n1 47555153 ZHRMICZUYJXWIK-UHFFFAOYSA-N 301.293 3.582 0 40 DHAB CC(C)(C)c1ncc(C(=O)N(Cc2cccnc2)C2CC2)s1 48355249 NJNBKZBWPISVFG-UHFFFAOYSA-N 315.442 3.640 0 40 DHAB C[C@@H](Sc1ncn[nH]1)c1cccc(NC(=O)c2ccccc2)c1 48356163 OJRMUYPHKJXUJL-GFCCVEGCSA-N 324.409 3.910 0 40 DHAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H]1C1CCCC1 56033711 NVCNUCROCINPEU-OAHLLOKOSA-N 311.381 3.588 0 40 DHAB C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@@H]1CCc2ccccc21 56769567 HOKZPJKYUZCRIA-AUUYWEPGSA-N 324.424 3.652 0 40 DHAB Cc1noc(C)c1CC(=O)N(Cc1ccccc1)CC1CCC1 57399214 FBJBQXACWMYMEO-UHFFFAOYSA-N 312.413 3.663 0 40 DHAB Cn1cc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2)cn1 69869413 WBOZRHDYKXNPFF-UHFFFAOYSA-N 318.446 3.632 0 40 DHAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)C2 71818761 UQYOUMNQGQJWAL-WBVHZDCISA-N 312.438 3.704 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CN2CCc3ccccc32)CC1 71853343 YFYSPECBUBSRCQ-UHFFFAOYSA-N 316.445 3.696 0 40 DHAB COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N)n2)cc1OC 71977845 FAUBYCKFLJDAMX-UHFFFAOYSA-N 321.380 3.718 0 40 DHAB Cc1cc(C)c2cc3c(nc2c1)OCCN(Cc1ccco1)C3 72392463 IAUYYWUBVHAVIQ-UHFFFAOYSA-N 308.381 3.839 0 40 DHAB CSCCCCNC(=O)CCc1c[nH]c2ccc(C)cc12 73820764 VEKFUTODBRHTGW-UHFFFAOYSA-N 304.459 3.668 0 40 DHAB CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc3[nH]ccc3c2)c1 75137955 FDKFOCWAXWOURB-UHFFFAOYSA-N 311.316 3.518 0 40 DHAB Cc1[nH]ncc1C(=O)Nc1ccc(CNc2ccccc2)cc1 78998262 YCRKCARVGFVPDC-UHFFFAOYSA-N 306.369 3.583 0 40 DHAB CC(=O)N1CCCN(Cc2nc3ccccc3o2)c2ccccc21 81526494 CHNRDWKDKZJVKT-UHFFFAOYSA-N 321.380 3.591 0 40 DHAB CN(C(=O)c1ncoc1[C@@H]1CCCO1)C1CCCCCCC1 83855645 METKSBZIRDSQRH-AWEZNQCLSA-N 306.406 3.711 0 40 DHAB O=C(c1cc(C2CC2)on1)N1CCC(=Cc2ccccc2)CC1 84525637 BQSJLHZLUXZJAJ-UHFFFAOYSA-N 308.381 3.872 0 40 DHAB CN(C(=O)c1ccc(Cl)o1)c1ccc(-c2ccccc2)nn1 89365352 OFPAEPNOOGDSEA-UHFFFAOYSA-N 313.744 3.667 0 40 DHAB O=C(c1cc(C2CC2)on1)N1CCCCC[C@H]1c1ccco1 89794504 SYOYNXMEOSKQAS-AWEZNQCLSA-N 300.358 3.903 0 40 DHAB CN1CCC[C@H](CN(C)Cc2cccc(-c3cccnc3)c2)C1 92253588 BNEJJYMXHZJXPJ-SFHVURJKSA-N 309.457 3.522 0 40 DHAB Oc1cccc2c1CC[C@H]2NCc1ccc(OC(F)F)c(F)c1 95437369 FDEOKWSOTFRMSB-CQSZACIVSA-N 323.314 3.910 0 40 DHAB CCCn1c(C)nnc1CSc1nc2ccccc2n1CC 95448514 LYPVJXNOGTZUJA-UHFFFAOYSA-N 315.446 3.658 0 40 DHAB C[C@@H](NCCCn1cccn1)c1ccc(OC(C)(C)C)cc1 95943438 UBUBPGGORUGKQN-OAHLLOKOSA-N 301.434 3.801 0 40 DHAB COC(=O)c1cccc2c(NCc3ccccc3)cc(C)nc12 95951602 IFDMAACRTOXTGC-UHFFFAOYSA-N 306.365 3.942 0 40 DHAB CC[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccncc1 96437452 RBNZNWKSBPEURN-LRDDRELGSA-N 301.365 3.732 0 40 DHAB Cc1nc2ccc(NCc3ccccc3N3CCOCC3)cc2o1 96482770 ZUWJYKNQLVCUQI-UHFFFAOYSA-N 323.396 3.585 0 40 DHAB CC[C@H]([C@H](N)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96524936 JNBSFQJXABHEKT-QZTJIDSGSA-N 317.454 3.567 0 40 DHAB Cc1ccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)cc1C 101275379 LJEVBRVFXBFYJK-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)Cc2ccccc2Cl)c1 224050933 AVDULXLRWGUCME-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB Nc1ccc(Nc2ccc(Cl)cc2)c(C(=O)NC2CC2)c1 225470884 QRXFBYWKRRSEMJ-UHFFFAOYSA-N 301.777 3.558 0 40 DHAB O=C(NCn1c2ccccc2c2ccccc21)c1cccnc1 226757861 ZJLCXIVSMRDYLU-UHFFFAOYSA-N 301.349 3.577 0 40 DHAB CC1CCC(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)CC1 408708089 GRRXWCGRSLFSNT-UHFFFAOYSA-N 316.445 3.618 0 40 DHAB CC1(C)[C@@H](c2ccc(F)cc2)CCN1Cc1occc1C(=O)O 530172942 MFJAFQQFBBWWTO-OAHLLOKOSA-N 317.360 3.885 0 40 DHAB CCOC1CC(Cc2nc(-c3ccc4ncccc4c3)no2)C1 585084104 IZDQDVAOASUVAH-UHFFFAOYSA-N 309.369 3.642 0 40 DHAB c1ccc(Oc2ccc(CNc3ncnc4[nH]ccc34)cc2)cc1 588898202 DEFCWLZOQWJPET-UHFFFAOYSA-N 316.364 4.362 0 40 DHAB CC(C)Oc1ccccc1CN1Cc2ccccc2NCCC1=O 1615127521 QPXNANUWKNRBJE-UHFFFAOYSA-N 324.424 3.818 0 40 DHAB CCOC(=O)[C@@H](c1ccsc1)P(=O)(OCC)OCC 1628748 YHJVOYLCNBGMIZ-LLVKDONJSA-N 306.320 3.618 0 40 DHAB CSc1cc(C)c(OC(=O)Nc2ccccc2F)c(CO)c1 1752783 YQLMYYAEZKUHFI-UHFFFAOYSA-N 321.373 3.959 0 40 DHAB COc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 1892652 ZAQCBAYZGZRYKQ-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB O=C(CCCC(=O)OCc1ccccc1)OCc1ccccc1 2528488 PLZHJBTWPOYHHY-UHFFFAOYSA-N 312.365 3.644 0 40 DHAB in-vitro Clc1ccc(-c2nnc(CSc3nncs3)o2)cc1 2659901 IUFFDEMFLKAQRZ-UHFFFAOYSA-N 310.791 3.534 0 40 DHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1 3475111 UZTRSVNSJFGMSX-UHFFFAOYSA-N 317.395 3.529 0 40 DHAB COc1ccc(C)cc1NC(=O)CSCc1ccccc1 3601967 PSWXPLFWKWWXSP-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB Cc1ccc(C)c(N[C@H]2SC(=O)N(c3ccccc3)C2=O)c1 4140711 VBMQCODVMZVITC-HNNXBMFYSA-N 312.394 3.941 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5[nH]ncc5C[C@@]43C)[C@@H]1CC[C@@H]2O 4625581 GZCJWTCFQKPYQN-SMVANRBLSA-N 314.473 3.728 0 40 DHAB CCc1c(C)nc(SCc2c(F)cccc2Cl)[nH]c1=O 5021637 QADBTYOARXTPEV-UHFFFAOYSA-N 312.797 3.726 0 40 DHAB O=C1O[C@H](Nc2ccccc2)C(Nc2ccccc2)=C1Cl 5741119 QJMYJHRBDWKDEU-HNNXBMFYSA-N 300.745 3.544 0 40 DHAB CCN(CC)CCC[C@H](C)Nc1cc(O)cc2cccnc12 5839654 XVRGMUYTMLBHEJ-AWEZNQCLSA-N 301.434 3.863 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)NCCc1cccc(F)c1 7123995 XFORCYGXCBGREE-UHFFFAOYSA-N 324.355 3.762 0 40 DHAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1nc(C)cs1 7195423 VCRBWCVVVPQLST-QWRGUYRKSA-N 324.475 3.738 0 40 DHAB Cc1ccc(C)c(NC(=O)CSc2nc(C)c(C)c(C)n2)c1 7253514 RHKHNPZPJUYMBX-UHFFFAOYSA-N 315.442 3.750 0 40 DHAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc(F)c1 7318983 XDOFAQIYORSFII-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB CCOc1ccccc1NC(=O)CN(CC)Cc1cccs1 7613681 ASXGIUHHEUMRLY-UHFFFAOYSA-N 318.442 3.607 0 40 DHAB O=C(NC1CC1)c1oc2ccccc2c1COc1ccccc1 8313971 MLTDPUYAQFGIBO-UHFFFAOYSA-N 307.349 3.904 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 8959827 OTRORASIQCVJGQ-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB CCN(Cc1cccc(F)c1)C(=O)c1[nH]c(C)c(C(C)=O)c1C 9316375 WLPZFASQPXXKEW-UHFFFAOYSA-N 316.376 3.636 0 40 DHAB CC[C@H](C)c1ccc(N[C@@H](C)C(=O)Nc2cc(C)on2)cc1 9368112 GPGXXEQUWIPAQP-AAEUAGOBSA-N 301.390 3.936 0 40 DHAB CCOc1ccccc1OCCCn1c(C=O)nc2ccccc21 11735053 DFLZBUQCMMIKLH-UHFFFAOYSA-N 324.380 3.717 0 40 DHAB Cc1noc(C)c1CCc1nc(-c2ccc(Cl)cc2)no1 12390256 YCKKXJMITPXRLP-UHFFFAOYSA-N 303.749 3.780 0 40 DHAB O=C(Cc1ccccc1)N[C@H]1CCSc2c(F)cccc21 12811139 LCPYDQSWTNZFDZ-HNNXBMFYSA-N 301.386 3.722 0 40 DHAB Cc1cccc(-n2nnnc2S[C@@H](C)c2ccc(F)cc2)c1 12904931 UKARPTMDHRQPAC-LBPRGKRZSA-N 314.389 3.963 0 40 DHAB O=C(O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 13252874 NUVPIEAGRCPLJD-UHFFFAOYSA-N 324.361 3.761 0 40 DHAB Brc1ccc2cc(O[C@H]3CCCNC3)ccc2c1 14631793 RKIQNLOKMFZPOF-HNNXBMFYSA-N 306.203 3.733 0 40 DHAB in-vitro CCCOc1ccc(C(=O)N(C)Cc2ccccc2OC)cc1 20106999 YLMGSDFRDCQEAS-UHFFFAOYSA-N 313.397 3.756 0 40 DHAB Cc1cccc(N2CCN(Cc3cnc(Cl)s3)C[C@@H]2C)c1 20367038 AVUUIXDNELRJGS-ZDUSSCGKSA-N 321.877 3.816 0 40 DHAB CCN1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 20608755 VZTKVXOWYGJJFY-UHFFFAOYSA-N 320.502 3.621 0 40 DHAB COc1ccc(NCC(=O)NC2CCCCCC2)cc1Cl 21889895 HNXYMYHKLWDMJC-UHFFFAOYSA-N 310.825 3.600 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 24231670 UIAVODIDGSEKLU-YXJHDRRASA-N 314.429 3.734 0 40 DHAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCOc2ccccc21 24568131 WTRBGRVZCFFJGE-SFHVURJKSA-N 320.392 3.659 0 40 DHAB O=C(NOCc1ccccc1)c1ccc(COc2ccccc2)o1 25036785 HYOUWDRBNMZMGB-UHFFFAOYSA-N 323.348 3.720 0 40 DHAB CCOc1ncccc1CNC(=O)C1CCC(C(C)(C)C)CC1 30309437 SDIUWKLSXCERFI-UHFFFAOYSA-N 318.461 3.949 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSC(C)(C)C 30866558 KNTDHYYVDJZLBQ-CQSZACIVSA-N 313.438 3.631 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)Cc3cccc(F)c3)c2)n1 31121977 TXNJFUSWEDERPH-UHFFFAOYSA-N 321.355 3.772 0 40 DHAB CCCCSCC(=O)Nc1cccc(Oc2cnccn2)c1 32028970 ZLUGIAARPJSUDD-UHFFFAOYSA-N 317.414 3.741 0 40 DHAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)C1CCC1 32609613 SARAFGCPRDKCQA-UHFFFAOYSA-N 305.381 3.823 0 40 DHAB COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@H]2C)cc1 36056060 HHWGKKRJFHZDRY-JKIFEVAISA-N 304.434 3.581 0 40 DHAB CC1=C(CCN2CCN(C(C)C)[C@H](CCO)C2)C(C)(C)CCC1 38149261 KFDIJWYEMTYRGK-GOSISDBHSA-N 322.537 3.680 0 40 DHAB CC[C@H](C)c1noc([C@H]2CCCCN2C(=O)C2CCCC2)n1 41123393 OZEMYEUYJLZZHN-GXTWGEPZSA-N 305.422 3.827 0 40 DHAB FC(F)Oc1ccc(-c2csc(C3CCNCC3)n2)cc1 53252506 UWSDFUDSQSXQQF-UHFFFAOYSA-N 310.369 3.879 0 40 DHAB CCN1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 53993709 FYEUOFXRTURCMC-UHFFFAOYSA-N 315.467 3.985 0 40 DHAB COc1ccc(C(=O)c2cccc(Br)c2)c(OC)c1 55232685 UMZXCSLQIKPXFO-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB c1csc(-c2noc(CNc3ccccc3-n3cccn3)n2)c1 55850882 ISPJRIRAAAMIHL-UHFFFAOYSA-N 323.381 3.596 0 40 DHAB O=C(Nc1ccccc1C(F)(F)F)Nn1cnc2ccccc21 58828237 PSYQGWPEWZSTGX-UHFFFAOYSA-N 320.274 3.831 0 40 DHAB O=C(c1ccoc1)N1CCCc2cc(Br)cc(F)c21 60342391 YCASNMWUZMGNQU-UHFFFAOYSA-N 324.149 3.774 0 40 DHAB CCOc1ccccc1CNC(=O)CCc1ccccc1Cl 64762512 DXZMRPAHCSKJJZ-UHFFFAOYSA-N 317.816 3.988 0 40 DHAB C[C@H](NCc1nc(-c2ccccc2)cs1)[C@@H](C)n1cccn1 69372152 HVPSQQNRKUYCPR-UONOGXRCSA-N 312.442 3.746 0 40 DHAB O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@H]1C[C@@H]1c1ccco1 69563011 UMGYCEPRKDSVPE-SGMGOOAPSA-N 317.772 3.677 0 40 DHAB COc1ccccc1C[C@H]1CCCN1Cc1c(C)noc1C 69683452 YXHJHSMNPNZBMN-MRXNPFEDSA-N 300.402 3.507 0 40 DHAB c1ccc2oc([C@@H]3CCCN(C[C@@H]4CCCCO4)C3)nc2c1 69876336 PYEGMPUJZVMPGR-CABCVRRESA-N 300.402 3.576 0 40 DHAB O=C(NCc1ccc(F)cc1Cl)c1ccc2ccccc2n1 71121010 QPIOEDKBJGRFQK-UHFFFAOYSA-N 314.747 3.957 0 40 DHAB CC(=O)Nc1ccc(NC(=S)Nc2cccc(F)c2C)cc1 71325998 AAVZASVSXQNRDD-UHFFFAOYSA-N 317.389 3.901 0 40 DHAB CCN(CC)C(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1Cl 71854417 CFXHAUVAKBLVCL-NSHDSACASA-N 317.260 3.855 0 40 DHAB Cc1cc(C)cc([C@@H](C)NC(=O)N(C)Cc2c(C)noc2C)c1 71885970 UMGBGKGTQJGAFA-CYBMUJFWSA-N 315.417 3.811 0 40 DHAB Cc1c(C[S@](C)=O)cccc1NC(=O)/C=C/c1ccccc1 72286769 CVMBSGAVPQWFSS-VDZCTEQFSA-N 313.422 3.525 0 40 DHAB Cc1nc(C)c(CNc2ccc(C)c(N3CCOC3=O)c2)s1 72743449 HIGMUJHVSJOATO-UHFFFAOYSA-N 317.414 3.637 0 40 DHAB Cc1noc(C2(NC(=O)c3cccc(Cl)c3)CCCCC2)n1 75164089 SJADZGXFIVHZRQ-UHFFFAOYSA-N 319.792 3.621 0 40 DHAB CCc1ccc([C@H](Nc2cc(C)nc3ncnn23)C(C)(C)C)o1 85707088 LHUVLWLIOBOLOX-HNNXBMFYSA-N 313.405 3.787 0 40 DHAB CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1cccnc1 95964213 SYJCPUSUXBUERJ-NWANDNLSSA-N 307.463 3.506 0 40 DHAB Cc1nccc(NC(=O)c2cc(F)cc3cccnc23)c1Cl 96008244 UOVKMIHMYBRQJY-UHFFFAOYSA-N 315.735 3.983 0 40 DHAB C/C(=C\C(=O)N(C)Cc1cnc(C)s1)CCc1ccccc1 96256391 XKRRTFPZMYAXPI-SDNWHVSQSA-N 314.454 3.989 0 40 DHAB COCc1ccc(C(=O)NC(C)(C)c2nc(C)c(C)s2)cc1 96413158 BVNMDFJEYFVLAJ-UHFFFAOYSA-N 318.442 3.571 0 40 DHAB CC(C)(C)[C@@H](NC(=O)CSCc1ccon1)c1cccs1 97016133 YFNDXKNXIGLWJZ-AWEZNQCLSA-N 324.471 3.873 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@H]1[C@@H]2C 100537454 XWHWCKHMKQSYBV-ORFRNNEJSA-N 300.442 3.845 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H]1c1nc2ccccc2[nH]1 105757864 CKDOXQLTSQDWES-WSMBLCCSSA-N 309.413 3.663 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc(C)cc2Cl)c1 192298501 MCUYKHIOGQXZKK-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB CCc1ccc(OCC(=O)NCCCc2ccc(F)cc2)cc1 218955262 SWAYPURPUQVYMF-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB CCSc1nnc(NC(=O)c2ccc(C)cc2Cl)s1 225006038 XSZUWAXPNIYPQX-UHFFFAOYSA-N 313.835 3.864 0 40 DHAB C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 225471755 FXONCHOWACLTDK-JTQLQIEISA-N 318.373 3.602 0 40 DHAB Cc1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)cc1Cl 225474289 QCRXIUIRMXTJPT-UHFFFAOYSA-N 315.804 3.866 0 40 DHAB CCC(CC)NC(=S)Nc1cc(C(=O)OC)ccc1Cl 225801199 MCOBOMGXFOPFNV-UHFFFAOYSA-N 314.838 3.602 0 40 DHAB CC(C)N1CC[C@H](Cc2cccnc2-c2ccccc2C(=O)O)C1 257223600 DYBDORGRYDZLBM-OAHLLOKOSA-N 324.424 3.720 0 40 DHAB CC(C)(C)c1cc(Cn2nc(C(F)(F)F)c3cnccc32)no1 333527044 LQBAVTPIINAKRM-UHFFFAOYSA-N 324.306 3.784 0 40 DHAB COc1ccc(-c2cc(-c3ccc(C)cc3)nc3ncnn23)cc1 409061116 VMHHDWPZZQJSJW-UHFFFAOYSA-N 316.364 3.775 0 40 DHAB Oc1nc(-c2cnsc2)nc2sc3c(c12)CCCS3 585137299 RHZBOTUZWYUVBG-UHFFFAOYSA-N 307.425 3.559 0 40 DHAB Cc1noc(C)c1C(=O)NC[C@H](c1ccsc1)c1ccco1 675007992 KPVBKUKYMXQCPJ-CYBMUJFWSA-N 316.382 3.508 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccs1 130780 HFDPJRIYDMIBAI-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB Clc1ccccc1[C@@H]1C[C@H](c2cccs2)Nc2nnnn21 222722 QRBVEGDPUGNFJT-NEPJUHHUSA-N 317.805 3.534 0 40 DHAB CCOc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 530168 WZROQQQMEKDVDC-ROUUACIJSA-N 320.396 3.823 0 40 DHAB C[C@H](C(=O)c1ccc(Cl)cc1)[C@@H]1OC(=O)C(Cl)=C1Cl 1622420 BAHJXRKPPQZQDT-INWYIAFRSA-N 319.571 3.773 0 40 DHAB COc1ccc([C@H](CC(=O)c2ccccc2)SCCO)cc1 1793590 LYYZUIUOVASCPA-SFHVURJKSA-N 316.422 3.735 0 40 DHAB CC(C)CN(CC(C)C)C(=O)NC(=O)c1ccc(Cl)cc1 1805323 PVEFNOZJUYQVGL-UHFFFAOYSA-N 310.825 3.804 0 40 DHAB CCCC[S@](=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1 2176753 MJWQPVCTXDHHDO-GCKMJXCFSA-N 308.443 3.703 0 40 DHAB CCOC(=O)[C@@H](CC(=O)c1ccc2ccccc2c1)C(=O)CC 2187190 IVMLWTRUYLHZPW-INIZCTEOSA-N 312.365 3.571 0 40 DHAB CCCCOc1cc(Br)c(C=O)cc1OCC 2767648 HOBPRODZFPQTIG-UHFFFAOYSA-N 301.180 3.839 0 40 DHAB C[C@H](NC(=O)CSc1ncnc2ccccc12)c1ccccc1 3253616 SWJSOIZBSYYGBT-ZDUSSCGKSA-N 323.421 3.599 0 40 DHAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(F)cc2)c(C)c1 3335647 FKPDIOZQPBJMPK-UHFFFAOYSA-N 314.404 3.821 0 40 DHAB Cc1cccc(CC(=O)NCc2ccc3c(c2)cc(C)n3C)c1 4061562 UJKUTTASMOPXNW-UHFFFAOYSA-N 306.409 3.654 0 40 DHAB CCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4077157 HVLCLIVPTHESNC-UHFFFAOYSA-N 307.806 3.621 0 40 DHAB COC(=O)[C@H]1C(=O)c2ccccc2[C@H](C)[C@H]1c1ccccc1C 4743722 RJIJKMUULKLTHQ-DOPJRALCSA-N 308.377 3.868 0 40 DHAB CC[C@@H](C)[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 5219655 MNDHHXNRWCXHNR-HQJQHLMTSA-N 319.188 3.614 0 40 DHAB CC(C)C(=O)N1CCCc2cc(NC(=O)CC(C)(C)C)ccc21 5374035 JGKJZXNYBBLTRF-UHFFFAOYSA-N 316.445 3.997 0 40 DHAB COc1ccc(CC(=O)N[C@H]2CCSc3ccccc32)cc1 5425632 NJAMLUOURIZNLL-INIZCTEOSA-N 313.422 3.591 0 40 DHAB COc1ccc(/C=C/C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 5529217 LYQVWHQZEBRRFL-VTKSRCSTSA-N 303.402 3.507 0 40 DHAB COC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1 6161017 RGIPRGKFMQGWNR-UHFFFAOYSA-N 312.394 3.599 0 40 DHAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccs2)cc1 6220537 TVBZKYCWEYHIGR-LBPRGKRZSA-N 317.410 3.597 0 40 DHAB Cc1ccc2nc(CSCc3ccccc3F)cc(=O)n2c1 6510484 NGOMYRHRJGOTIU-UHFFFAOYSA-N 314.385 3.575 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 7928340 ILMRPZXLHSPEGQ-INIZCTEOSA-N 322.408 3.603 0 40 DHAB Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 8704970 YGWJPEZVKGHXEK-UHFFFAOYSA-N 324.283 3.680 0 40 DHAB Cc1cccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)c1 8937081 DQQRSWMLWFRQKS-UHFFFAOYSA-N 300.383 3.657 0 40 DHAB COc1ccc(NC(=O)/C=C/c2sccc2C)c(OC)c1 9690184 IMLWVFVPPUWVLX-VOTSOKGWSA-N 303.383 3.726 0 40 DHAB Fc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cc1 10311867 FDMZXXCLRQDUAS-UHFFFAOYSA-N 324.384 3.777 0 40 DHAB CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12 11278154 ZCXCYVAZSMBKKM-UHFFFAOYSA-N 316.430 3.724 0 40 DHAB COc1cc(C)c(NC(=O)c2cc3ccccc3[nH]2)cc1OC 11642236 ZFXDOAYICZCPER-UHFFFAOYSA-N 310.353 3.746 0 40 DHAB C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccccc1 12422116 CGJIXCKGUXPFAD-CQSZACIVSA-N 306.365 3.762 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2)c1C 12981915 QOVUOCJLYRGORK-OUKQBFOZSA-N 308.381 3.995 0 40 DHAB Cc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 12999411 QUEKWPZLNXNFBM-UHFFFAOYSA-N 305.377 3.957 0 40 DHAB CCCCCc1ccc(NC(=O)CCN2CCSC2=O)cc1 13006775 IKYILAIIXUXBKU-UHFFFAOYSA-N 320.458 3.917 0 40 DHAB Cc1cc(S(=O)(=O)NC2CCCCCC2)c(C)cc1Cl 13938488 RZWHHVWCVPECJI-UHFFFAOYSA-N 315.866 3.958 0 40 DHAB COc1ccc(CC(=O)Nc2ccccc2SC)cc1C 13972070 STGIBANXBBIUIG-UHFFFAOYSA-N 301.411 3.907 0 40 DHAB CCCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1 15976590 GZQXOPASOUYRBX-UHFFFAOYSA-N 313.353 3.514 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1Cl 19232706 PQRDRURZBGVGQJ-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB COc1ccc([C@H](C)NC(=O)COc2c(C)cccc2C)cc1 20025495 OQJILSDDCYZNDX-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB Cc1nc(N2CCC(Cc3ccccc3)CC2)sc1C(=O)O 20156570 LGKLASGLUWIZCS-UHFFFAOYSA-N 316.426 3.609 0 40 DHAB CCc1ccc([C@H](C)NC(=O)COc2ccc(OC)cc2)cc1 21320078 FJPGFTYMCSSDHB-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCc2sccc2C1 29810156 PRNQCJPYXGTKRZ-LBPRGKRZSA-N 318.417 3.581 0 40 DHAB C[C@H](C(=O)Nc1cnc2ccccc2c1)n1cnc2ccccc21 30577522 KKBCDQJESLJMJQ-CYBMUJFWSA-N 316.364 3.784 0 40 DHAB Cc1cccc(CNC(=O)COc2ccc(Cl)c(C)c2)c1 31108112 HCKBSDIUOHOKPI-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB Cc1cc(NC(=O)c2ccc(C)c(F)c2)n(Cc2ccccc2)n1 32754179 ARNMKVGBZZHVOG-UHFFFAOYSA-N 323.371 3.940 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 32903097 VXDRDPGQBOCKNR-NSHDSACASA-N 308.303 3.900 0 40 DHAB O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 32930611 UHMUMFDPZGBQBC-UHFFFAOYSA-N 309.287 3.558 0 40 DHAB O=Cc1ccc(OCc2ccc(Br)cc2F)cc1 35082317 DVXJELRDYFRUFW-UHFFFAOYSA-N 309.134 3.980 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 40079745 GNDNQJXIXNKPEJ-SNVBAGLBSA-N 312.797 3.500 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1OC 45442882 YJJKKGYWGHRQGC-LBPRGKRZSA-N 324.380 3.676 0 40 DHAB Cc1cc(C)c(CNCc2ccc(-n3ccnc3C)nc2)c(C)c1 48782308 PWBYHBDPVKXOCB-UHFFFAOYSA-N 320.440 3.791 0 40 DHAB CN(CC1CCCCC1)C(=O)c1csc(-c2ccccn2)n1 58394308 DXIUALQIGFBIEH-UHFFFAOYSA-N 315.442 3.857 0 40 DHAB CC(C)OCc1ccccc1CNC(=O)N1CCc2ccccc21 58844783 UHKYJMHTQZJEQO-UHFFFAOYSA-N 324.424 3.884 0 40 DHAB COc1ccccc1-c1nc(C(=O)N2CCCCCC2)cs1 65538195 FXGKMVPPHARNLU-UHFFFAOYSA-N 316.426 3.835 0 40 DHAB Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@H](C)c2ccccc21 65549401 YTEVONSKLNBIOL-JTQLQIEISA-N 319.355 3.588 0 40 DHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C(F)(F)F)C1 65564703 NEVQKUBIYZLIMZ-ZJUUUORDSA-N 305.344 3.702 0 40 DHAB Clc1cc2c(cc1SCc1noc(C3CC3)n1)OCCO2 66262121 QONYAAKENAYOIM-UHFFFAOYSA-N 324.789 3.664 0 40 DHAB Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CC(F)(F)F 69708299 WSGYSHIRHREDSY-UHFFFAOYSA-N 314.332 3.753 0 40 DHAB O=C(Nc1ccc2[nH]ccc2c1)C1(c2ccccc2)CCOCC1 70666648 VHAUVQTYKMNTCU-UHFFFAOYSA-N 320.392 3.855 0 40 DHAB biogenic CCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2ccccc21 72034173 JKMJUJSSCBYNHZ-UHFFFAOYSA-N 320.392 3.511 0 40 DHAB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 78458731 AVLQPBHVDQXWQG-OIOXUXFSSA-N 323.392 3.868 0 40 DHAB Cc1cccc(Cl)c1NC(=O)c1ccc2c(c1)OCCO2 78551728 RADKNPXQZDKGHO-UHFFFAOYSA-N 303.745 3.672 0 40 DHAB O=C(CCCc1ncc(-c2ccccc2)o1)N1C[C@@H]2CCC[C@H]2C1 84563000 KXLLHACHRXZRPO-IRXDYDNUSA-N 324.424 3.923 0 40 DHAB O=C(c1c(O)cnc2ccccc12)N1CCCc2ccccc21 89861059 FMJONILCRJXSNI-UHFFFAOYSA-N 304.349 3.533 0 40 DHAB CCc1ccc(N2CCC(N[C@@H]3CCCSC3)CC2)cc1 95423585 CSDIXCZCYSQGGY-QGZVFWFLSA-N 304.503 3.703 0 40 DHAB Cc1ccc(O)c(CN(C)Cc2ccccc2C(F)(F)F)n1 95982439 NTQOXIOSVPCAKM-UHFFFAOYSA-N 310.319 3.746 0 40 DHAB CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccoc1)CC2 96049268 GBTXSDOMOODNDP-UHFFFAOYSA-N 318.461 3.530 0 40 DHAB CCS[C@@H]1CCC[C@@H](NC(=O)N(C)[C@H](C)c2cccnc2)C1 107585909 RSZCZIPBVWMZRJ-FVQBIDKESA-N 321.490 3.848 0 40 DHAB O[C@@H](CSCc1coc(-c2cccs2)n1)C(F)(F)F 191106533 IXOQCTHVCKDJAD-VIFPVBQESA-N 309.334 3.560 0 40 DHAB COC(=O)c1cccn1-c1ccc(Cl)cc1Br 223731336 IYGNPAGFQYQQQT-UHFFFAOYSA-N 314.566 3.680 0 40 DHAB CC(C)(C)c1ccccc1OCCNC(=O)Cc1cccs1 223738924 KORIPVVYMPVNFV-UHFFFAOYSA-N 317.454 3.783 0 40 DHAB CCOc1ccc(CCCNC(=O)Cc2ccc(F)cc2)cc1 223939952 ZEPSOZFKKIAKNL-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)NCC1CCCCC1 224615226 IFYFGCQXCSUXRR-HNNXBMFYSA-N 305.418 3.549 0 40 DHAB COc1ccccc1O[C@@H](Cc1cccc(Cl)c1C)C(=O)O 225071334 RDRQUWWVANPKIA-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CCc1ccc(CC(=O)NCCOc2ccc(Cl)cc2)cc1 225112068 BNYUDYZVVHYZOJ-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB COc1ccc(CCC(=O)NCCCc2cccc(C)c2)cc1 225314676 OQBYZXLENXWDFA-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB CCN(CC)C(=O)c1c(-c2ccc(Cl)cc2)noc1[C@H](C)O 225437976 ZDIOLKKKSNUDKQ-JTQLQIEISA-N 322.792 3.530 0 40 DHAB biogenic,in-vitro O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@H](Cc3ccccn3)[C@H]2C1 257211786 CAJPPOYSQQULJJ-GPMSIDNRSA-N 324.399 3.562 0 40 DHAB O=C(CSC[C@H]1CCCCO1)Nc1nsc2ccccc12 585125287 MPTVCRRMORTKLG-LLVKDONJSA-N 322.455 3.537 0 40 DHAB CSc1ccc([C@@H](O)CNc2ncnc3ccsc23)cc1 1775972226 DKRALVCMZCHIQC-ZDUSSCGKSA-N 317.439 3.559 0 40 DHAB CN(CCc1ccncc1)c1nc2c(F)cc(F)cc2s1 1888913484 DVDCBOCRCVXQPG-UHFFFAOYSA-N 305.353 3.648 0 40 DHAB CSc1nc2c(c(=O)n1-c1cccc(Cl)c1C)CCCC2 1888944016 ZWOBLPRWICPDNF-UHFFFAOYSA-N 320.845 3.795 0 40 DHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCCc3ccccc31)CC2=O 453286 MNHDPTVCACLTCZ-WOJBJXKFSA-N 311.425 3.751 0 40 DHAB O=C(Nc1cccc2nonc12)c1ccc(Cl)cc1Cl 1433000 MSVRFVJMSOCWLO-UHFFFAOYSA-N 308.124 3.782 0 40 DHAB CC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2cc3c(cc2C1)C(=O)CC3 1855598 JQIMPXNUWOWHDI-QFIPXVFZSA-N 316.400 3.902 0 40 DHAB COc1cc(NC(=S)Nc2ccccc2C)cc(OC)c1 2641290 PKAQUODPEONECG-UHFFFAOYSA-N 302.399 3.821 0 40 DHAB COc1ccc(-c2ccnc3c4c(C)cc(C)nc4nn23)cc1 2788343 SJWLXNUCSPHMBF-UHFFFAOYSA-N 304.353 3.570 0 40 DHAB CN(C)[C@H](CNC(=S)Nc1ccccc1Cl)c1ccco1 3335676 XNSLKRFVYYWCDM-CYBMUJFWSA-N 323.849 3.522 0 40 DHAB Cc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1C 3606570 LKMUXEHGHGZWFU-IBGZPJMESA-N 309.409 3.876 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccccc1 3907626 NIXOXJQXKWMQNM-GFCCVEGCSA-N 310.328 3.972 0 40 DHAB CCCC[C@H](C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)N(CC)CC 4063965 VCXCSUROFHCUQZ-RHSMWYFYSA-N 318.461 3.849 0 40 DHAB biogenic Cc1ccccc1-n1cnnc1SCC(=O)c1ccccc1 4501220 RCXOGMHDRMROBG-UHFFFAOYSA-N 309.394 3.551 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccccc1 5406260 SFBDEEBHFSBMJP-VAWYXSNFSA-N 308.406 3.968 0 40 DHAB O=C(O)c1ccccc1C(=O)OC[C@H]1CCCc2ccccc21 5742617 YDQXWAJRUNXAKE-CQSZACIVSA-N 310.349 3.662 0 40 DHAB CC(C)OCCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 6307138 OLCDVGPGARYDGS-LBPRGKRZSA-N 315.866 3.752 0 40 DHAB CCc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 6811222 GNCCDPJMNBBGRD-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB CCCN(CCC)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 6937386 KMRCGKPATBIVGO-IEBWSBKVSA-N 305.462 3.564 0 40 DHAB CCCCCOc1ccc(C(=O)CCC(=O)N2CCCC2)cc1 8076037 KGYLTNRSHPXPID-UHFFFAOYSA-N 317.429 3.841 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccccn1 8129403 NIAPVDWNTBGFTM-LBPRGKRZSA-N 307.353 3.536 0 40 DHAB CCCC1(CCC)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 8338901 UGFBSPHEXCGYQJ-UHFFFAOYSA-N 308.809 3.731 0 40 DHAB Cc1noc(C)c1C(=O)N(C)[C@H](C)c1nc2ccccc2s1 8347194 PFTAXNUGIOOQQY-SNVBAGLBSA-N 315.398 3.734 0 40 DHAB COCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 8469180 ZTFDZQWDHZANPA-UHFFFAOYSA-N 305.805 3.655 0 40 DHAB COC(=O)Cn1nc(-c2ccccc2)c2oc3ccccc3c21 8716864 LRKSMPWIYDSVFV-UHFFFAOYSA-N 306.321 3.623 0 40 DHAB c1ccc(Sc2ccc3nnc(-c4ccccc4)n3n2)cc1 12409354 WZYATTHUGZXUHO-UHFFFAOYSA-N 304.378 3.943 0 40 DHAB COc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1 12415370 NKMDFGAVKRPNDH-UHFFFAOYSA-N 318.336 3.802 0 40 DHAB O=C(Cc1cc(-c2cccs2)on1)N1CCc2ccccc2C1 12422221 HKJWRXOARVPDLM-UHFFFAOYSA-N 324.405 3.531 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)cc1C 12752718 HQSGVRCLEBVDAC-SFHVURJKSA-N 315.438 3.829 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccccc1F 13009496 DBOCZMSWDPENBT-CQSZACIVSA-N 300.377 3.737 0 40 DHAB COc1cccc2[nH]c3c(N4C[C@@H](C)C[C@@H](C)C4)ncnc3c12 13147215 YKQDMPLPYCVTOB-TXEJJXNPSA-N 310.401 3.602 0 40 DHAB CC(C)NC(=S)Nc1ccc(Br)c(Cl)c1 13840877 RPZKWSJOAHAAIZ-UHFFFAOYSA-N 307.644 3.797 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C(C)=O)c1 14013354 UGCQBRASIOVHMY-GOSISDBHSA-N 311.381 3.994 0 40 DHAB O=C1CC[C@H]2c3[nH]c4ccccc4c3[C@@H](c3ccccc3)CN12 14083586 LPTQRJZQGNFWNT-WBVHZDCISA-N 302.377 3.977 0 40 DHAB C[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1CCCCC1 14114149 HOSYTJIGTNZYNK-ZDUSSCGKSA-N 315.442 3.623 0 40 DHAB CCOc1ccc(NC(=O)c2ccc3ccccc3n2)cc1OC 14201463 PFYGASXARQZNEC-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB COc1ccc(-c2nnc([C@@H](C)N3CCC(C)CC3)o2)cc1 15471043 LDCZOMBMNRJIKE-CYBMUJFWSA-N 301.390 3.538 0 40 DHAB Cc1cc(OCC(=O)Nc2ccc(N)cc2C)ccc1Cl 19736345 PFHDDFNOSQBMLA-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 20154587 NZRJTGFDQMQRBO-UHFFFAOYSA-N 319.773 3.509 0 40 DHAB O=C(c1ccc(F)cc1)N1CCCC[C@@H]1CCN1CCCCC1 21170392 ZDRSEWISQOMKLL-GOSISDBHSA-N 318.436 3.696 0 40 DHAB CC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)c1ccc(Cl)cc1 22284139 FWCIPCRBIOKBGT-MRXNPFEDSA-N 319.836 3.500 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)C1(c2ccccc2)CCC1 24603628 JOWLELLHNKSGPW-UHFFFAOYSA-N 318.420 3.949 0 40 DHAB Cc1nn2c(nc(NN3CCCCC3)c3ccccc32)c1Cl 25046647 WTFAPAZTIYFZKS-UHFFFAOYSA-N 315.808 3.657 0 40 DHAB CCOc1ccc(CC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 31561475 IXFWBZJRIQJHNU-UHFFFAOYSA-N 321.380 3.657 0 40 DHAB Cc1c(Cl)cccc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C 32667876 GKEYUFNPDDVGIS-ZBEGNZNMSA-N 317.772 3.815 0 40 DHAB COc1ccc(CC(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)cc1 40267323 FZGJQKWPRFXHGH-UHFFFAOYSA-N 323.396 3.876 0 40 DHAB CC(C)c1cc(Br)ccc1OC[C@@H]1CCCNC1 42774633 HRROSGWUNZJLIU-GFCCVEGCSA-N 312.251 3.951 0 40 DHAB CCCOc1ccc([C@@H](C)NC(=O)c2ccco2)cc1OC 48366748 ROESUNXPDSTBJB-GFCCVEGCSA-N 303.358 3.568 0 40 DHAB C[C@@H]1c2ccsc2CCN1C(=O)NOCc1ccccc1 50096820 NFDCENJDFNCUKY-GFCCVEGCSA-N 302.399 3.509 0 40 DHAB COc1ccc(SCc2csc(-c3cnn(C)c3)n2)cc1 53525892 FRFNCZGRFOUDMS-UHFFFAOYSA-N 317.439 3.845 0 40 DHAB C[C@H](N[C@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 58160751 GWKFRPFDMSUKOX-KXBFYZLASA-N 320.436 3.631 0 40 DHAB O[C@H](Cn1c([C@H]2CCCO2)nc2ccccc21)c1ccccc1 65005827 PUEOZVNZXIRZHP-QZTJIDSGSA-N 308.381 3.621 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1c1cc(F)cc(F)c1 65184312 DRAAQEKOVWAMAC-UHFFFAOYSA-N 309.699 3.544 0 40 DHAB Cn1ccc2c(C(=O)N3CCC[C@@H]3c3ccccn3)cccc21 69460910 UGWALSMBUDDDFG-GOSISDBHSA-N 305.381 3.551 0 40 DHAB Cc1occc1C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 69775625 XACASHGXYAYAJU-ZDUSSCGKSA-N 319.332 3.537 0 40 DHAB CCCCc1noc([C@H](C)Oc2ccc(NC(=O)OC)cc2)n1 70040457 LKPGWOXRAZMQQU-NSHDSACASA-N 319.361 3.731 0 40 DHAB COc1cccc(CN[C@H]2CCc3c(F)cccc32)c1OC 71837171 PQXZVHATEBQLKN-INIZCTEOSA-N 301.361 3.620 0 40 DHAB CCOc1ccc(NC(=O)N[C@@H](C)c2c(C)noc2C)cc1C 72283381 CSXVIVFQERZCDY-NSHDSACASA-N 317.389 3.881 0 40 DHAB Cc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2ccc(Cl)cc2)C1 72388846 VKIQQDWVHJSDNA-KRWDZBQOSA-N 317.820 3.565 0 40 DHAB COc1ccc(C2(CNC(=O)[C@@H]3CC=CCC3)CCCC2)cc1 75170137 QYWZPEWVGZKVSJ-MRXNPFEDSA-N 313.441 3.980 0 40 DHAB CN1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 78578418 JIMIGUPCOVPMKW-HNNXBMFYSA-N 310.397 3.759 0 40 DHAB Cc1cc(C(=O)Nc2nc3ccccc3n2C2CCCC2)on1 84124194 QQWVZEMFZBKVHG-UHFFFAOYSA-N 310.357 3.700 0 40 DHAB Cc1noc(C)c1CN1CCCCC[C@H]1C[C@H](O)c1ccco1 89529355 UKFCSWBTBKAHNL-RDJZCZTQSA-N 318.417 3.753 0 40 DHAB CCn1cc(CNc2ccc(Cl)c(Br)c2)cn1 94670174 NAJONLHUPALZPI-UHFFFAOYSA-N 314.614 3.931 0 40 DHAB CCCC(=O)N(CC)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 95396136 QUKJPMQHHYESNP-FQEVSTJZSA-N 324.424 3.755 0 40 DHAB CCn1c(SCc2ncc(C)o2)nnc1-c1ccccc1C 95401566 YVEWKWMZZJTNCA-UHFFFAOYSA-N 314.414 3.862 0 40 DHAB C[C@H](NCCc1cnn(C)c1)c1ccc(SC(F)F)cc1 95420641 UOSMUIZPOYMBKM-NSHDSACASA-N 311.401 3.628 0 40 DHAB COCC(=O)Nc1ccc(NCc2ccc(F)cc2Cl)cc1 95425754 BJRUAUKKPUCDFI-UHFFFAOYSA-N 322.767 3.676 0 40 DHAB CC(=O)Nc1cc(NCc2sc(C)nc2C)ccc1Cl 95977513 XTNWROBEFVHKDT-UHFFFAOYSA-N 309.822 3.984 0 40 DHAB CC[C@H](C(=O)NC[C@@H](OC)c1ccsc1)c1ccccc1 96097383 PEPMGOGILRITFG-JKSUJKDBSA-N 303.427 3.746 0 40 DHAB CO[C@@H]1CCN(Cc2nc(C)cs2)C[C@@H]1Cc1ccccc1 96110177 SFKXYWNJFIHWDZ-DLBZAZTESA-N 316.470 3.531 0 40 DHAB COc1ccc(NC(=O)N[C@H](c2nccs2)C2CC2)cc1C 96434230 RXKOCHOPQLFJLH-AWEZNQCLSA-N 317.414 3.733 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2cc(=O)oc3ccccc23)cc1 101568949 FOSCUQYUGSZXPC-UHFFFAOYSA-N 323.348 3.833 0 40 DHAB C[C@H](Nc1ccc(Cl)c(C[S@](C)=O)c1)c1ccccn1 191176633 WRZBXGWXFWRZKK-YBTHPKLGSA-N 308.834 3.787 0 40 DHAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)CSCc1ccccc1 206756876 VQSVDEBXUWJBIC-XYPWUTKMSA-N 321.511 3.805 0 40 DHAB CNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 212177115 KCLHECRYJPVSKZ-UHFFFAOYSA-N 310.184 3.679 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCCSC2CCCC2)c1C 224527150 FGVBKIZHJADOFJ-HNNXBMFYSA-N 321.486 3.863 0 40 DHAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1ccccc1 225092963 UOIMVAHAGAZMRW-CQSZACIVSA-N 310.271 3.780 0 40 DHAB COc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1Cl 225095182 JABYBQYAKGPCQZ-UHFFFAOYSA-N 324.207 3.975 0 40 DHAB CCOC(=O)c1ccc(NC(=S)NC2CCCCC2)c(C)c1 225279006 PNGSNDATNNYNPC-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB CCCOC(=O)c1cc(N)ccc1Nc1cccc(OC)c1 225478041 HGIYURRGXDRWQN-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB COCCC1(NC(=S)Nc2cccc(Cl)c2)CCCC1 225844736 DIMYEROIICEKJA-UHFFFAOYSA-N 312.866 3.976 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc2cc(OC)ccc2c1 575358576 SXTSLIUHHJKXDQ-UHFFFAOYSA-N 300.354 3.765 0 40 DHAB CCOC(=O)c1nc(Br)c(-c2ccccc2)s1 1772714886 CZWRNIXACSNNNX-UHFFFAOYSA-N 312.188 3.749 0 40 DHAB O=C(O)c1cc(C2CC2)nc2cc(Br)c(F)cc12 1857793875 NNLOOWHFRWTKGY-UHFFFAOYSA-N 310.122 3.712 0 40 DHAB COc1cc(/C=C/C(=O)NC2CCCC2)ccc1OC(C)C 148943 BRJKXSWHEPREJH-PKNBQFBNSA-N 303.402 3.554 0 40 DHAB CC(C)C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 189342 DKXYZGJOCPCCME-UHFFFAOYSA-N 314.366 3.511 0 40 DHAB Cn1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2Cl)n1 483515 XZHBPLBKRIFDSV-UHFFFAOYSA-N 304.564 3.633 0 40 DHAB CC(C)NC(=O)CSc1nc(C(C)(C)C)nc2ccccc12 1342553 BAWJZNVUPUTRPG-UHFFFAOYSA-N 317.458 3.544 0 40 DHAB CCCOc1cccc(/C=C2\N=C(c3cccs3)OC2=O)c1 2317991 FVLHCTPTDNMUJA-KAMYIIQDSA-N 313.378 3.881 0 40 DHAB CC(C)C(=O)Nc1c(-c2ccccc2)c(=O)c2ccccc2n1C 2348048 KIFNSAKLQHOAQO-UHFFFAOYSA-N 320.392 3.800 0 40 DHAB Cc1cccc(OC[C@@H](O)CN2C(C)(C)CCCC2(C)C)c1 2696119 IMXNKXMLNIVDSD-INIZCTEOSA-N 305.462 3.778 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccn1 2795830 HMYKFGJMSKTNJC-UHFFFAOYSA-N 304.777 3.841 0 40 DHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(Cl)cc2)c1 3512333 OQVOMTFZKZZQMV-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB C[P@@](=O)(O)O[C@H](c1ccccc1)C(F)(F)C(F)(F)F 5257436 FOPZPMOSTHLVET-MRVPVSSYSA-N 304.151 3.757 0 40 DHAB c1ccc(Cc2cc(-c3cc(Cc4ccccc4)[nH]n3)n[nH]2)cc1 5479221 OQWSDJQUMWDVDS-UHFFFAOYSA-N 314.392 3.981 0 40 DHAB C[C@H](Sc1nnc2ccccn12)C(=O)c1c[nH]c2ccccc12 6114839 ZHUMTQMBFSHABV-NSHDSACASA-N 322.393 3.574 0 40 DHAB O=C(NCCc1ccc(F)cc1)c1cc(F)c(F)cc1Cl 6305408 ULAHSMHPHCKOJI-UHFFFAOYSA-N 313.706 3.730 0 40 DHAB O=C(OC/C=C/c1ccccc1)c1ccc(N2CCCC2=O)cc1 6362456 PEXLUQLVRQZQEF-VMPITWQZSA-N 321.376 3.684 0 40 DHAB O=C(NCCCOC1CCCCC1)c1cc2ccccc2o1 6988979 IWUKUBGWOZIKCE-UHFFFAOYSA-N 301.386 3.902 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1 7777544 UEMDYSBUZPLJKU-MRXNPFEDSA-N 303.789 3.814 0 40 DHAB COc1cccc(/C=C/C(=O)NC2(c3ccccc3)CCC2)c1 8040090 VBTSZCHCBPCUII-VAWYXSNFSA-N 307.393 3.904 0 40 DHAB Cc1ccc2sc(NS(=O)(=O)c3cccs3)nc2c1C 8864734 CZSCGVPLNWSDRY-UHFFFAOYSA-N 324.452 3.775 0 40 DHAB O=C1c2ccccc2C(=O)N1Cc1ccccc1C(F)(F)F 10631045 JTKZERSNWPUBHU-UHFFFAOYSA-N 305.255 3.502 0 40 DHAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCO1 11690427 SQVDZPXIPIYQIP-AWEZNQCLSA-N 319.788 3.817 0 40 DHAB Cc1cc(C(=O)Nc2cccc(F)c2)c2cnn(C(C)C)c2n1 11766531 XUNILOAVKKZQEM-UHFFFAOYSA-N 312.348 3.712 0 40 DHAB Cc1ccccc1[C@H](Sc1nc(N)cc(N)n1)c1ccccc1 12545023 XRIJEJDXNDFQNG-QGZVFWFLSA-N 322.437 3.831 0 40 DHAB Cc1cccc(-n2nnnc2S[C@H](C)c2ccc(F)cc2)c1 12904928 UKARPTMDHRQPAC-GFCCVEGCSA-N 314.389 3.963 0 40 DHAB Cc1ccc(C(=O)NCCc2ccc3c(c2)CCCN3C)cc1C 13006685 CEGQNWIQLKVBNO-UHFFFAOYSA-N 322.452 3.658 0 40 DHAB O=C(CSc1nc2ccccc2[nH]1)Nc1cc(F)ccc1F 13137229 YMOCWSNJSLABMS-UHFFFAOYSA-N 319.336 3.572 0 40 DHAB Cc1ccc(C)c(-n2c(S)nnc2COc2ccccc2)c1 13535322 SMHVGSDYPSPXBU-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB Cc1c(S(=O)(=O)c2ccccc2)c(N)n(C2CCCC2)c1C 13626427 NGWIRXUXHVCVDH-UHFFFAOYSA-N 318.442 3.635 0 40 DHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccnc1 14684144 DWODOIKZDGJOPQ-IBGZPJMESA-N 302.377 3.795 0 40 DHAB in-vitro O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 14790087 DFYRTLUQEJVJHB-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB COc1ccc2[nH]cc(CCNCc3ccc4[nH]ccc4c3)c2c1 15424203 MTSKDUSADPISFW-UHFFFAOYSA-N 319.408 3.990 0 40 DHAB COc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 15977021 QWMRYFMDRPRQMD-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)c(C)c1C 16780175 INRQGXULTQRXKN-UHFFFAOYSA-N 309.475 3.873 0 40 DHAB COc1ccccc1CCNC(=O)c1cccc(Cl)c1Cl 17845471 YEDYAZLVDFMCJI-UHFFFAOYSA-N 324.207 3.975 0 40 DHAB COc1ccc(CN2C(=O)CS[C@@H]2c2cccs2)cc1 19927319 MWUUAVIDISPBAW-OAHLLOKOSA-N 305.424 3.531 0 40 DHAB CCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(OC)c1 20136602 MEYOAWSFBJOHCD-UHFFFAOYSA-N 303.358 3.576 0 40 DHAB Cc1ccc(S[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1 23244264 IPABTFXONYVADR-AWEZNQCLSA-N 317.429 3.974 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCc2ccccc2C1 25798421 MCLUUZRIROTJCL-YOEHRIQHSA-N 306.409 3.844 0 40 DHAB Cc1n[nH]c(SCC(=O)c2sc3ccccc3c2C)n1 31794240 UCJCMYRNNQPMLL-UHFFFAOYSA-N 303.412 3.611 0 40 DHAB Cc1ccc2cc(CSc3nnc(N)s3)c(Cl)nc2c1 32838677 LWOKOPSXFFKGCF-UHFFFAOYSA-N 322.846 3.923 0 40 DHAB CC(=O)Nc1ccc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 42207311 DFXSKRGTDMCXEU-ZFWWWQNUSA-N 314.351 3.856 0 40 DHAB CC(C)(C)c1ccc(O[C@@H]2CCCNC2)c(Br)c1 42774763 ZKCOQRLXBYJZCY-GFCCVEGCSA-N 312.251 3.877 0 40 DHAB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2csnn2)c1 48356264 JGZMEWMVOUEIEG-INIZCTEOSA-N 322.393 3.618 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)c1nccs1 57341066 SRZFAOFKDKCESJ-ZDUSSCGKSA-N 316.426 3.625 0 40 DHAB Cc1noc(C)c1CN(C)[C@H](C)c1nnc(-c2ccccc2)o1 69486590 IXENYLZHKYRFRJ-GFCCVEGCSA-N 312.373 3.534 0 40 DHAB COCc1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)c1 72285859 UMDXTIJFMYQYDR-OAHLLOKOSA-N 316.426 3.657 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NC[C@@H]2CCO[C@H]2C(C)C)c1 78542937 YRAXGDHGQCSCKB-KMFMINBZSA-N 320.433 3.577 0 40 DHAB CC(=O)Nc1ccccc1CN1CCC(Nc2ccccc2)CC1 92164503 XOQGQPLDQJPRLK-UHFFFAOYSA-N 323.440 3.722 0 40 DHAB CN(CCc1nc(-c2cccnc2)cs1)C(=O)OC(C)(C)C 92197305 IZULDVDZARMUHY-UHFFFAOYSA-N 319.430 3.615 0 40 DHAB CNC(=S)N1N=C(c2ccsc2)C[C@H]1c1cccc(F)c1 95115868 FHRYSRWKZIBCLI-AWEZNQCLSA-N 319.430 3.543 0 40 DHAB CNCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 95402545 LJQONNLWYWTBRM-UHFFFAOYSA-N 311.360 3.832 0 40 DHAB CN(Cc1nccs1)c1nnc(-c2ccccc2Cl)s1 96011597 VUSFGIMOPCSXEL-UHFFFAOYSA-N 322.846 3.951 0 40 DHAB Cc1nc(CN2CCC3(CCCN(CC4CC4)C3)CC2)cs1 96217524 ZYKCCPGMBLTLCL-UHFFFAOYSA-N 319.518 3.540 0 40 DHAB Cc1nccn1-c1cncc(N2CC[C@H](C)C[C@@H]2c2ccco2)n1 96494544 OKPOGFFMQALOOF-DZGCQCFKSA-N 323.400 3.541 0 40 DHAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 96621143 QWZQHUUHYOFKMP-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB COc1ccc(CN(C)Cc2csc(C)n2)cc1SC 97032598 ANCNFBIMYMMTTH-UHFFFAOYSA-N 308.472 3.814 0 40 DHAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)O)(C4)C2)C3)cc1OC 100149307 JWSIHEWTCURFRH-IJKBLAIYSA-N 316.397 3.626 0 40 DHAB O[C@H]1[C@H]2[C@@H]3CC[C@@H]1[C@@H]3C[C@H]2C(O)(c1ccccc1)c1ccccc1 102977520 XWSHAONUVZUKOY-OWQNAKTJSA-N 320.432 3.576 0 40 DHAB C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C 103009286 RZMBLUKFSHCXDI-IOASZLSFSA-N 321.392 3.912 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2ccccc2C1 216244406 VWTYOGDHIYAJLX-GOSISDBHSA-N 313.372 3.568 0 40 DHAB Nc1cccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c1 226304352 DTAUFGWRYYDVLI-UHFFFAOYSA-N 304.349 3.732 0 40 DHAB C[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccc(C(F)(F)F)nc1Cl 521394534 PJRCCRQYDWQHAA-KXUCPTDWSA-N 322.758 3.829 0 40 DHAB COC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)o2)cc1 541267536 AAYNETRHUVBSKP-UHFFFAOYSA-N 321.332 3.986 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1ccc(C(F)(F)F)cc1Cl 575361595 VIRNAASBWRMQDX-UHFFFAOYSA-N 308.683 3.883 0 40 DHAB COc1cc(Nc2ncnc(C(C)C)c2F)cc(OC)c1OC 1888866776 KYHOSXYTIVNFKM-UHFFFAOYSA-N 321.352 3.509 0 40 DHAB S=c1c2ccccc2nc2n(-c3ccccc3)c(S)nn12 1889211567 AOUASWAGPDPHDY-UHFFFAOYSA-N 310.407 3.691 0 40 DHAB CC(=O)N(C)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 31004 QJBZODULKAYYJB-UHFFFAOYSA-N 302.761 3.575 0 40 DHAB O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1 81504 JYZHKZNALZZENK-UHFFFAOYSA-N 306.390 3.967 0 40 DHAB COC(=O)c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1C 564081 PSTRCGNUYYLPEX-DHZHZOJOSA-N 313.328 3.573 0 40 DHAB Cc1cc(C(=O)C[S@](=O)c2ccc(Cl)cc2)cc(C)c1O 1397541 UKOMYYLJWKQJPT-OAQYLSRUSA-N 322.813 3.653 0 40 DHAB COc1ccc([C@](O)(c2ccccc2)[C@@H](O)c2ccccc2)cc1 1570024 NGUAZYIANFFYIS-LEWJYISDSA-N 320.388 3.665 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 2774418 LPSYBSXWCLSWJC-HOTGVXAUSA-N 309.365 3.606 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)COc1ncnc2ccccc12 3266485 BKTCNWCJMHWOOT-UHFFFAOYSA-N 317.348 3.681 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 3462578 KDRHKUDQNMFHCP-UHFFFAOYSA-N 322.286 3.916 0 40 DHAB O[C@H](CNC1CCCC1)Cn1c2ccccc2c2ccccc21 4189340 UIWHEXAVANZGHK-MRXNPFEDSA-N 308.425 3.688 0 40 DHAB O=C(Nc1ccc(F)cc1)C1(c2cccs2)CCOCC1 4478953 MYQJBPOGMHQCCA-UHFFFAOYSA-N 305.374 3.574 0 40 DHAB Cc1ccc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2n1 5198651 DMXJKQKQNCLFEN-OAHLLOKOSA-N 320.392 3.799 0 40 DHAB Cc1ccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)o1 5214768 AUENDXKYVCFVAU-JYRVWZFOSA-N 301.323 3.535 0 40 DHAB CC(C)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 5221687 HRVHQLUGCMIYPU-UHFFFAOYSA-N 317.245 3.714 0 40 DHAB N[C@@H](CCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 5673624 QIECYFSVFSKILE-HNNXBMFYSA-N 303.789 3.744 0 40 DHAB COc1cc(C=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 5915978 WXYHWHMISRNSTB-UHFFFAOYSA-N 314.381 3.630 0 40 DHAB Cc1cccc(C)c1NC(=O)COc1cccc2cccnc12 6127912 FIDASGXWHZLJFT-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB O=C(Nc1cc(F)ccc1F)c1ccc(Br)cc1 6376578 ZBJWDYQKNSEQDZ-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB C=CCOc1ccc(/C=C2/SC(=O)N(CCC)C2=O)cc1 6657206 PVCWNRMUHZZKKM-SDNWHVSQSA-N 303.383 3.698 0 40 DHAB Cc1ccc2nc(NC(=O)Cc3cccc(F)c3)sc2c1 7264180 HOXXUBFBHLPMKN-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB O=C(Nc1ccnn1C1CCCCC1)c1cnc2ccccc2n1 7990912 FQRYGXQXLUAZRA-UHFFFAOYSA-N 321.384 3.584 0 40 DHAB O=C(NCc1cccs1)c1ccc(COc2ccccc2)o1 8428213 JKZCLUAITIMZPU-UHFFFAOYSA-N 313.378 3.850 0 40 DHAB Cc1nnc(O)c(-c2ncc(C(F)(F)F)cc2Cl)c1C 8888374 KHGDDQAESHHTJU-UHFFFAOYSA-N 303.671 3.533 0 40 DHAB COc1ccc2cc(CNc3ccc(Cl)cc3)c(=O)[nH]c2c1 12493340 YXTCWPPAQDRWKJ-UHFFFAOYSA-N 314.772 3.802 0 40 DHAB O=C(Nc1ccccc1O)C1CCN(CC2CCCCC2)CC1 14190261 BIEWZXHQBHSPFL-UHFFFAOYSA-N 316.445 3.623 0 40 DHAB CC(C)CCCCCCCCCCCC(=O)OC[C@@H](O)CO 15261757 CALSYPDGGJMMDZ-KRWDZBQOSA-N 316.482 3.830 0 40 DHAB biogenic,in-vitro O=C(NCCc1nc(-c2ccccc2)cs1)[C@@H]1C[C@@H]2C=C[C@H]1C2 19374333 GNINQCNDSUDJDJ-VNQPRFMTSA-N 324.449 3.681 0 40 DHAB O=C(NCc1ccco1)c1cc(-n2cccc2)ccc1Cl 20722686 AIZLQJVMEKQAJN-UHFFFAOYSA-N 300.745 3.654 0 40 DHAB Cc1ccc(C)c(OCCC(=O)Nc2nnc(C(C)C)s2)c1 24992903 XKABSCXJAVLSRT-UHFFFAOYSA-N 319.430 3.686 0 40 DHAB COc1ccc([C@@H]2CCCN2c2cnc3ccccc3n2)cc1 26136071 XTTOSUROBXSIKV-SFHVURJKSA-N 305.381 3.980 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(F)cc2F)C1 26898221 IZKCABCVWVXCAE-GFCCVEGCSA-N 312.360 3.776 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1 32754245 RUKBPSWYJWDEPU-UHFFFAOYSA-N 312.300 3.783 0 40 DHAB CCC(CC)N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1 32777387 LUEDQNPONIUHIW-UHFFFAOYSA-N 315.417 3.625 0 40 DHAB O=C(NCCC1=CCCCC1)c1snnc1-c1ccccc1 36358803 WWOQZGFXAZLGDM-UHFFFAOYSA-N 313.426 3.825 0 40 DHAB CC1CCN(Cc2ccc(C(=O)Nc3cccnc3)cc2)CC1 38849761 QVFAHTFEMARPRP-UHFFFAOYSA-N 309.413 3.566 0 40 DHAB CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)s1 39996336 QPWSDRYNLKWUIX-LBPRGKRZSA-N 316.378 3.687 0 40 DHAB COc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1Cl 41450238 XBJCTJGMOQJXPR-UHFFFAOYSA-N 320.732 3.721 0 40 DHAB O=C(NCc1cc(Br)cs1)NC1CCCCC1 42862905 QAYXVPTXAHUVFH-UHFFFAOYSA-N 317.252 3.643 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1 44900138 MXQSAZQROWRFQG-INIZCTEOSA-N 303.333 3.630 0 40 DHAB CCOc1cccc(CNC(=O)CCCc2cccs2)c1 48333731 FMAHRXFQASIJRQ-UHFFFAOYSA-N 303.427 3.786 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nc(C)cs1 57152844 PEXJMAIKFUFWDZ-ZDUSSCGKSA-N 316.426 3.909 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)c1nccs1 57341069 SRZFAOFKDKCESJ-CYBMUJFWSA-N 316.426 3.625 0 40 DHAB CC(C)N(C(=O)CN1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 58101864 LJKHQIOGQZXVQP-GOSISDBHSA-N 311.429 3.593 0 40 DHAB CC(C)c1nc2cc(NC(=O)c3ccc4nccn4c3)ccc2o1 68397620 LDHOWMIIMBINFV-UHFFFAOYSA-N 320.352 3.851 0 40 DHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@H]1Cc1cccc(F)c1 71836444 YXAQOWMSFFFCIZ-YESZJQIVSA-N 313.372 3.756 0 40 DHAB CC[C@H]1C[C@H]1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 71908200 SGJXELGYECNKNN-SMDDNHRTSA-N 318.804 3.842 0 40 DHAB CCOc1cc(CNC(=O)c2ccc(CC)cc2)ccc1OC 72331627 FWYCXXKGTKRXIH-UHFFFAOYSA-N 313.397 3.586 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1 72331657 AKKKPVSCNICCAW-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB Cc1ccc2nc(C3CN(C(=O)Nc4cccs4)C3)[nH]c2c1 75156463 UPZRENLZXBTLML-UHFFFAOYSA-N 312.398 3.564 0 40 DHAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2nccs2)cc1 76959065 CTZHQKRBFHXZRI-LSDHHAIUSA-N 300.427 3.686 0 40 DHAB CCOCc1ccccc1NCc1noc(Cc2ccccc2)n1 86202991 RMPHKGSIYNFXCC-UHFFFAOYSA-N 323.396 3.809 0 40 DHAB O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(Cl)s1 88233040 VQLLRRINHXRJNQ-UHFFFAOYSA-N 321.764 3.979 0 40 DHAB C[C@@]1(CO)CCCN(Cc2ccc(SC(F)(F)F)cc2)C1 93341062 DAJWWGPBDHZTKQ-CQSZACIVSA-N 319.392 3.893 0 40 DHAB Cc1ccc(-c2ncc(CNc3cnccc3CO)s2)cc1 95448707 JADXHCWSIBDRGR-UHFFFAOYSA-N 311.410 3.618 0 40 DHAB CC[C@](C)(NC(=O)CSC(C)(C)C)c1nc(C)cs1 96423347 KNYSEZKFZUYSFH-AWEZNQCLSA-N 300.493 3.725 0 40 DHAB COc1ccc(C2=C[C@H](c3ccccc3C)n3ncnc3N2)cc1 102047544 VEJHPUCHCOPMTB-GOSISDBHSA-N 318.380 3.651 0 40 DHAB C[C@H]1CN(c2ncnc3cccc(F)c23)C[C@@H](c2ccccc2)O1 107342495 NHDMPBDABLEMDM-GUYCJALGSA-N 323.371 3.735 0 40 DHAB C[C@@H](Cc1ccoc1)NC(=O)c1csc(-c2ccccc2)n1 206717930 YTAKICFWTJHKCD-LBPRGKRZSA-N 312.394 3.764 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCOc2cc(C)ccc2C)cc1 223981604 UWJLFLMHTGKPMW-ZHACJKMWSA-N 309.409 3.820 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2ccc(F)cc2)c(C)c1 225169403 OSQMQRRBRCNNGD-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB CCOc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1 225305828 UPMONMKZDAUQHO-UHFFFAOYSA-N 317.816 3.988 0 40 DHAB CCCn1nccc1-c1cccc([C@@H]2CCCN(C(C)C)C2)n1 257200875 AFEVSIWSGCWKTQ-MRXNPFEDSA-N 312.461 3.943 0 40 DHAB Cc1cncc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 257299949 RSHFJBYLFOPZSP-SFHVURJKSA-N 319.412 3.512 0 40 DHAB CC(C)CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)c2ccccc21 409120224 VXVKJQRMYRVWNP-SXGWCWSVSA-N 321.376 3.959 0 40 DHAB O=c1c(-c2ccc3c(c2)OCCCO3)coc2ccc(F)cc12 138894 GWQFGZURVVTDOL-UHFFFAOYSA-N 312.296 3.760 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2c(C)cccc2C)c(OC)c1 147247 SREXVZSLFMNTAL-PKNBQFBNSA-N 311.381 3.973 0 40 DHAB COc1ccccc1[C@H](CC(=O)N1CCCCC1)c1ccco1 487633 IEGKXIUUVLFKLT-INIZCTEOSA-N 313.397 3.823 0 40 DHAB biogenic COC(=O)c1[nH]c2ccccc2c1NC(=O)Oc1ccccc1 547137 AMXLXACLVOQJIS-UHFFFAOYSA-N 310.309 3.565 0 40 DHAB CCc1ccc(OCC(=O)Nc2cccc3cccnc23)cc1 556616 CCJSOHYEJCKCDF-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB CCOc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 569794 PRLHJASWAGGBCZ-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB O=C(Nc1ccccc1)c1ccc(I)cc1 571884 RAZBBYZHYJBGLC-UHFFFAOYSA-N 323.133 3.544 0 40 DHAB CCCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3 1564407 JDLOBSPHOCEVJI-SFHVURJKSA-N 301.386 3.773 0 40 DHAB in-vitro O=S(=O)(Oc1ccccc1Cl)c1ccc(Cl)s1 2142246 UIGKENQZWNVYBU-UHFFFAOYSA-N 309.195 3.823 0 40 DHAB OC1=NC(=S)S/C1=C/c1ccc(F)c(Br)c1 2536921 PZBCKNQSIWJKIE-XBXARRHUSA-N 318.192 3.917 0 40 DHAB O=C(NCCc1ccccc1)c1cccnc1Oc1ccccc1 2543373 JETDVRKLKQXNGF-UHFFFAOYSA-N 318.376 3.846 0 40 DHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCc2ccccc21 3396160 APXCQHUQXDXMCW-NSHDSACASA-N 318.779 3.869 0 40 DHAB CCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 3902193 RIKXLROQYQSOHV-RLFYNMQTSA-N 319.445 3.751 0 40 DHAB O=c1cc(CSc2ccc(Cl)cc2)nc2sccn12 5863340 HBXPVZBSZGEJKI-UHFFFAOYSA-N 308.815 3.702 0 40 DHAB c1ccc2cc(OCc3n[nH]c(-c4ccncc4)n3)ccc2c1 6000414 VKCOBNHZCDPFEF-UHFFFAOYSA-N 302.337 3.599 0 40 DHAB O=C(Cc1cccc2ccccc12)Nc1nnc(C2CC2)s1 7407482 JTIDCTKALBAIKW-UHFFFAOYSA-N 309.394 3.750 0 40 DHAB Cc1cc(COc2cc3oc(=O)cc(C)c3cc2Cl)no1 7838144 JHYDWPGNYYPSRE-UHFFFAOYSA-N 305.717 3.630 0 40 DHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1Cl 7878286 PDMJPEYUJYSBGH-NSHDSACASA-N 320.845 3.959 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)Cc1csc(C)n1 7995559 DTTQVFPIUOBYLW-UHFFFAOYSA-N 310.806 3.603 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1F 8259528 AYTGBGVOECJBGV-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cc(C)ccc1C 8726478 VOBCVMOOHWFLLB-OAHLLOKOSA-N 320.392 3.757 0 40 DHAB C[C@H](NC(=O)CC1(C(=O)O)CCCC1)c1cc2ccccc2o1 8922369 AQGYYCHQBRLWBD-LBPRGKRZSA-N 315.369 3.645 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)N(C)C2CCC(C)CC2)cc1 9691356 BLFNTHFXOIHJMS-UHFFFAOYSA-N 318.417 3.906 0 40 DHAB O=C(COc1cccc2[nH]ccc12)Nc1cccc(Cl)c1 12409679 AOFFZRMWISNBLQ-UHFFFAOYSA-N 300.745 3.839 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccccn3)ccc2c1 12527353 NLFJNEVWXKYRQE-CQSZACIVSA-N 320.392 3.663 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)cc1 12528644 QURSCCBBJLVTQI-IBGZPJMESA-N 324.424 3.739 0 40 DHAB COc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cn1 12598013 ZMYWJFDHOWKNDR-UHFFFAOYSA-N 320.274 3.796 0 40 DHAB C[C@H]1CN(c2nc(-c3ccccc3)c3ccccc3n2)C[C@@H](C)O1 18140749 NZEJGHVOBBJWMQ-GASCZTMLSA-N 319.408 3.910 0 40 DHAB OCCCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 25042748 LRZMVZWRXQKPCC-UHFFFAOYSA-N 318.876 3.791 0 40 DHAB C[C@H](Cc1ccco1)NC(=O)N(C)Cc1ccc(Cl)s1 28415027 CUHLJEPHCLTNMV-SNVBAGLBSA-N 312.822 3.767 0 40 DHAB COc1ccc([C@@H](NC(=O)c2ccc(C)s2)C2CC2)cc1 31257970 PCKHHYRXNLYLSJ-INIZCTEOSA-N 301.411 3.946 0 40 DHAB NCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 31939056 WCOJQKOAFOCPQO-UHFFFAOYSA-N 323.390 3.818 0 40 DHAB O=C(CSc1ccncc1)N[C@@H]1CCSc2ccccc21 32340141 XHGLCIRVTBYBRQ-CQSZACIVSA-N 316.451 3.527 0 40 DHAB c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ncn2)cc1 34126868 YBPIJARTCXVFQF-UHFFFAOYSA-N 305.337 3.658 0 40 DHAB CN(C)[C@@H](CNC(=O)NC1CCCCC1)c1ccccc1Cl 36090871 WLJAKNKPDYRDAL-INIZCTEOSA-N 323.868 3.575 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccccc1Cl 40108325 HUDGYLGSJKDWFL-CJNGLKHVSA-N 309.837 3.594 0 40 DHAB CC(C)OC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 40174361 AMSPHDRKCZXNBU-UHFFFAOYSA-N 321.380 3.564 0 40 DHAB Cc1c(F)cccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478384 NKTOYLOPYWBSDI-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB Cc1occc1-c1nnc(Sc2cnc3ccccc3n2)o1 41872890 FOEDTCKUSDBDGV-UHFFFAOYSA-N 310.338 3.732 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc2ccccc2c1 45201341 HVPHRYIQJUPVJH-HNNXBMFYSA-N 305.377 3.924 0 40 DHAB CC(C)CCC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 48302227 GQFQUGWISQWOMB-QGZVFWFLSA-N 316.489 3.971 0 40 DHAB Cc1cc(CN(C)C(=O)N[C@H](c2cccs2)C(C)C)no1 48368718 TYMXMCRDZBPUJT-AWEZNQCLSA-N 307.419 3.583 0 40 DHAB Cc1cccc2nc(CN(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cn12 51501655 RRIMJGXUSMYTRF-GUYCJALGSA-N 309.413 3.991 0 40 DHAB CC(C)(C)CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 58289632 ZQNIVUINEKKDOF-AWEZNQCLSA-N 308.491 3.513 0 40 DHAB O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C/c1cscn1 65623001 SWZDQPLTLHEUFA-VZUCSPMQSA-N 324.283 3.506 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(C)cc2F)cc1OC 71326058 HAUPVIWAFPFRFP-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)CCc1cscn1 78874584 VGPDEGWBRPLOEB-KEYYUXOJSA-N 314.454 3.869 0 40 DHAB O=C(NCCOCc1ccccc1)Nc1ccc2[nH]ccc2c1 78973986 OVSNSZQYXFTWDO-UHFFFAOYSA-N 309.369 3.506 0 40 DHAB COc1ccc(C)cc1Cn1ncc(Br)c1C1CC1 95419314 HFXHTUVVRQOGTA-UHFFFAOYSA-N 321.218 3.888 0 40 DHAB C[C@@H](c1ccccn1)N(C)C(=O)NCCOC1CCCCCC1 96411457 GHWYCZHWLDENEZ-HNNXBMFYSA-N 319.449 3.523 0 40 DHAB CC1(C)Oc2ccc(NC(=O)N3C[C@H]4CC=CC[C@H]4C3)cc2O1 96434316 CTTJTEMTPXKCIQ-BETUJISGSA-N 314.385 3.624 0 40 DHAB C/C(=C\C(=O)N(C)Cc1scnc1C)c1cccc(F)c1 96456664 JGDBEPMKSWOJHZ-YRNVUSSQSA-N 304.390 3.653 0 40 DHAB CCNCc1ccccc1NC(=O)c1cc(C)c(F)cc1F 96482514 LPHUTXGDRIZKRR-UHFFFAOYSA-N 304.340 3.635 0 40 DHAB Cc1cscc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 97014506 NCIOYTUGCGBALE-UHFFFAOYSA-N 303.383 3.671 0 40 DHAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccncc1F 97135629 HXPGYGJRTOAZQO-SECBINFHSA-N 309.291 3.724 0 40 DHAB C[C@H](NC(=O)c1ccc(Br)o1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100625672 OSTCUPUZPHLOBB-ZDCRXTMVSA-N 312.207 3.597 0 40 DHAB CCCC[Sn]1(CCCC)OCCS1 195997710 TWNAELGEYKMPLY-UHFFFAOYSA-M 309.063 3.792 0 40 DHAB CCCc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1 223374066 XPYNADRCBWLGBD-UHFFFAOYSA-N 301.361 3.587 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)NCCCc1ccccc1 224073978 MVUPLXATMAGXPN-UHFFFAOYSA-N 323.436 3.693 0 40 DHAB CCNC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224320761 BSSNLFQBLBUVFE-UHFFFAOYSA-N 301.411 3.737 0 40 DHAB COc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 224651493 IAWIHWJIVMVIFF-UHFFFAOYSA-N 310.197 3.919 0 40 DHAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCCC1 226330611 UBZMIHIGKSQYSR-UHFFFAOYSA-N 313.376 3.569 0 40 DHAB C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(F)cc32)C(=O)N1c1ccccc1 539086875 BLKDHFNVMHRISG-UPRAQXHNSA-N 324.399 3.597 0 40 DHAB CCOCC[C@H]1CCOC12CCN(Cc1ccc(C)s1)CC2 585104669 KTQZAOGTXCAOEY-INIZCTEOSA-N 323.502 3.854 0 40 DHAB C[C@@H]1c2ccccc2CN1C(=O)[C@]1(C)OCCc2ccccc21 1586996934 UVQLBIZLJWGRPX-JLTOFOAXSA-N 307.393 3.578 0 40 DHAB CC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 425594 YPUVUDDKNBMWPR-SNVBAGLBSA-N 301.781 3.679 0 40 DHAB Cc1cc(C)c(NC(=S)NC(=O)c2cccs2)c(C)c1 503226 JXGCQJOTOFBKLI-UHFFFAOYSA-N 304.440 3.800 0 40 DHAB c1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)nc1 526989 WRHPJXYVPQULLF-UHFFFAOYSA-N 321.409 3.670 0 40 DHAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 1509358 UQMJWIWOFILZGP-SNVBAGLBSA-N 314.410 3.723 0 40 DHAB C[C@H]1CCc2sc3ncn4nc(-c5cccnc5)nc4c3c2C1 2202757 ROPXPNVEMQGFEO-JTQLQIEISA-N 321.409 3.526 0 40 DHAB O=C1/C(=C\c2ccc(Br)cc2)N=C2CCCCCN12 3207065 QCKQLYNZJNKHQJ-JLHYYAGUSA-N 319.202 3.605 0 40 DHAB Cc1ccc(C)c(C(=O)OCC(=O)c2cccc(Cl)c2)c1 3317788 DGCQNRDRSFSKQY-UHFFFAOYSA-N 302.757 3.997 0 40 DHAB Cc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 3504455 QBHRBVVAYOFIHG-QGZVFWFLSA-N 312.413 3.545 0 40 DHAB CCN(Cc1ccccc1)C(=O)C(=O)c1c(C)[nH]c2ccccc12 4163415 FHRIYMVSXIGLGA-UHFFFAOYSA-N 320.392 3.708 0 40 DHAB CCc1ccccc1N1C[C@H](c2nc3ccccc3[nH]2)CC1=O 4384975 PEAGCENQDLIFPK-CQSZACIVSA-N 305.381 3.646 0 40 DHAB COCCn1c(-c2cccc(C)c2)nc2nc3ccccc3nc21 5164781 YMHPIFATFCLXKE-UHFFFAOYSA-N 318.380 3.601 0 40 DHAB Cn1cc(NC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 5265846 LHEJRIRCPMHNHH-UHFFFAOYSA-N 309.325 3.551 0 40 DHAB C[C@H](OC(=O)C1CCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 5507335 QJWYTAZKFWDBPI-QMMMGPOBSA-N 316.184 3.664 0 40 DHAB C[C@H]1C[C@@H]1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 5693986 VWULPBWPHNZFED-SJCJKPOMSA-N 306.361 3.640 0 40 DHAB CCOc1c(OC)cccc1[C@H](CN)c1c[nH]c2ccccc12 6645709 QOBRJZOCBYGGEH-HNNXBMFYSA-N 310.397 3.666 0 40 DHAB CC(C)OCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 6657875 XKLOVJGGNLMDIH-UHFFFAOYSA-N 309.369 3.740 0 40 DHAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2cccc(Cl)c2Cl)C1 7811676 QYFXWAOZEOHFSL-QWRGUYRKSA-N 315.244 3.910 0 40 DHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(F)c1 7944861 HSXDSYYJHQAOKF-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB COc1ccc([C@H](C)NC(=O)Nc2ccccc2OC)cc1 8221433 UJRZHDHJNFAULQ-LBPRGKRZSA-N 300.358 3.587 0 40 DHAB Cc1nnc(SCc2cc(Cl)c3c(c2)OCCO3)s1 8395042 QAIIIDSVPYLTST-UHFFFAOYSA-N 314.819 3.563 0 40 DHAB Cc1cc(C)cc(OCc2nnc(NC(=O)C(C)(C)C)s2)c1 9328527 SMIAXAABMGROGL-UHFFFAOYSA-N 319.430 3.719 0 40 DHAB NC(=O)c1ccc(CSc2nnc(C3CCCCC3)o2)cc1 9363863 GQQQGRFWJLLKMW-UHFFFAOYSA-N 317.414 3.509 0 40 DHAB O=C(/C=C/c1cccc(F)c1)Nc1cc2c(cc1Cl)OCO2 9366513 QEKYNPUOOIWCSK-SNAWJCMRSA-N 319.719 3.860 0 40 DHAB CCCCN(C)c1ncnc2c1cnn2-c1cc(C)ccc1C 9627548 AIBUEHIMTKNYBZ-UHFFFAOYSA-N 309.417 3.669 0 40 DHAB Cc1csc(NC(=O)CCc2ncc(-c3ccccc3)o2)n1 11374366 FHOMTRLYXGPBCI-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB COc1cccc(NC(=O)NCCSc2ccccc2)c1 11553730 VKOXCROVZICLNY-UHFFFAOYSA-N 302.399 3.609 0 40 DHAB O=C(c1cc2ccccc2cc1O)N1CCc2sccc2C1 12215467 CZKBZCORSNMFBG-UHFFFAOYSA-N 309.390 3.805 0 40 DHAB CCCOc1ccc(-c2nn3c(C(C)C)nnc3s2)cc1 12321482 WIVBAWAEKGUXJK-UHFFFAOYSA-N 302.403 3.765 0 40 DHAB CNc1ncc(CNC2(c3ccc(Cl)cc3Cl)CC2)cn1 12361951 STDMXCGBSHUXAZ-UHFFFAOYSA-N 323.227 3.604 0 40 DHAB CC1CCC(NC(=O)c2cccnc2SC(F)F)CC1 14242075 XUECISGVRUNUOY-UHFFFAOYSA-N 300.374 3.705 0 40 DHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCc2ccccc21 14260013 DXRJFAKZRRKEMK-UHFFFAOYSA-N 323.783 3.933 0 40 DHAB CCOc1ccccc1NC(=O)Nc1ccsc1C(=O)OC 15934136 SHQKAIFVXBEYBK-UHFFFAOYSA-N 320.370 3.577 0 40 DHAB Cc1cccc(OCCCNC(=O)c2cn(C)c3ccccc23)c1 16278376 VOWKIFYZNNXNKE-UHFFFAOYSA-N 322.408 3.686 0 40 DHAB COc1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1 16600611 QHFBIWVSMDIPBU-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB CCCOc1ccc(C(=O)NCc2cccc(OCC)c2)cc1 20046488 RXXKZLBEDSXHIY-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB O=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)C1CC1 22357509 QRWQMRSIMZJVER-UHFFFAOYSA-N 301.777 3.932 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)c2sccc2C)c1 23099580 PUJFFMUQAWPHGJ-NSHDSACASA-N 305.399 3.565 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2Cc2c(C)noc2C)c1 27279698 BSDKFRWJDHOBIW-KRWDZBQOSA-N 316.401 3.646 0 40 DHAB O=C(c1cc(-c2ccccc2F)on1)N1CCc2ccccc2C1 32830215 INHUVVNBYKOEPI-UHFFFAOYSA-N 322.339 3.679 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccccc2)no1)c1ccc(F)cc1 32913608 FYANSQRGUGRSHO-GFCCVEGCSA-N 310.328 3.972 0 40 DHAB COc1ccccc1CNc1cc(C)nc2nc3ccccc3n12 35314634 OSFCFDXEDCVDFY-UHFFFAOYSA-N 318.380 3.812 0 40 DHAB Clc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)[nH]n2)cc1 35504143 PRSSHSMYJPNZKC-UHFFFAOYSA-N 323.743 3.842 0 40 DHAB CCOc1ccc(NC(=O)NCc2ccccc2COC)cc1 40095521 FVFMHEUXYDXWOY-UHFFFAOYSA-N 314.385 3.553 0 40 DHAB CC(C)c1nnc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)s1 40141593 QOCSLRVETGCXKW-IUCAKERBSA-N 321.368 3.969 0 40 DHAB Cc1ccc2c(CC(=O)N3c4ccnn4[C@@H](C)C[C@@H]3C)coc2c1 40146285 ABMQPIVSRCGOIX-KBPBESRZSA-N 323.396 3.867 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1C1CCCC1 40160008 IILHUVPGPQLQCV-GFCCVEGCSA-N 317.364 3.543 0 40 DHAB C[C@H](NC(=O)Nc1ccc(N(C)C)nc1)c1ccc(Cl)s1 48332130 DOMJIUOGNUHLIB-VIFPVBQESA-N 324.837 3.745 0 40 DHAB CCc1ncc(C(=O)N[C@H](c2ccccc2)c2ccco2)s1 48364404 FKODNEXWQPTQII-MRXNPFEDSA-N 312.394 3.818 0 40 DHAB Cc1ccc(CNCc2ccc(NC(=O)NC(C)C)cc2)cc1 48784784 UDUAXXRXEYTFLY-UHFFFAOYSA-N 311.429 3.815 0 40 DHAB CCc1c(C)sc2nc(Cc3c[nH]c4ccccc34)[nH]c(=O)c12 53843379 RPIMNARMOHZHNL-UHFFFAOYSA-N 323.421 3.928 0 40 DHAB Clc1cc2c(c3ncccc13)OCN(Cc1ccco1)C2 54114367 CSGWJPWAYBCYRP-UHFFFAOYSA-N 300.745 3.833 0 40 DHAB Fc1ccc([C@H]2CCCN2Cc2nc(-c3cccnc3)no2)cc1 55528400 GEIGLZKIRHJTRI-MRXNPFEDSA-N 324.359 3.608 0 40 DHAB COc1ccccc1-c1ccccc1C(=O)NCc1nccs1 58357474 ZKOHOCQUJPQNLV-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB CCOc1ccc(-c2cc(C(=O)O)nn2-c2cccc(C)c2)cc1 59472464 IRQLIANMVSGPFS-UHFFFAOYSA-N 322.364 3.945 0 40 DHAB CCCCCN(Cc1ccc(F)cc1)C(=O)C1CCOCC1 60683522 QPZPREYSCKGCOZ-UHFFFAOYSA-N 307.409 3.771 0 40 DHAB CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)n[nH]1 71820908 FVCKXFUQQAONBV-KRWDZBQOSA-N 312.417 3.686 0 40 DHAB CC(=O)N1CCCC[C@H]1c1cccnc1NC1CCCCC1 72214053 KWIXBKBTZIMZSD-KRWDZBQOSA-N 301.434 3.900 0 40 DHAB COC1CCC(N(C)C(=O)c2ccc3[nH]c(=S)oc3c2)CC1 73729380 AUAPFKTZOWLDNZ-UHFFFAOYSA-N 320.414 3.520 0 40 DHAB Cc1nn(-c2ccccc2)c2c1[C@H]1c3ccccc3OC[C@H]1CO2 75149068 YTTQVUATZFHJTL-IFXJQAMLSA-N 318.376 3.714 0 40 DHAB O=C(c1ncoc1-c1cccs1)N1CCC[C@H]1C1CCC1 89800046 XZQNPEPTXCJEMZ-LBPRGKRZSA-N 302.399 3.808 0 40 DHAB CC[C@H](NC(=O)c1ccccc1SC(F)F)[C@@H]1CCCO1 89942879 OLPWFWUIMHWBPH-RYUDHWBXSA-N 315.385 3.689 0 40 DHAB O=C(/C=C/COCc1ccccc1)NC1CCCCCCC1 95939760 MVGHRSGNSFVOHE-NTEUORMPSA-N 301.430 3.989 0 40 DHAB Cc1cc(CNc2nnc([C@H]3Cc4ccccc4O3)o2)c(C)o1 95992332 ZMNSHZGAELJNBS-OAHLLOKOSA-N 311.341 3.568 0 40 DHAB Fc1ccc([C@H](Nc2ncncc2Br)C2CC2)cc1 97016672 GQCYWXKLPIGUSB-CYBMUJFWSA-N 322.181 3.941 0 40 DHAB Cc1cnc(-c2cccc(NC(=O)Nc3ccc(O)cc3)c2)o1 97104803 JFOVZRRVCNAFSX-UHFFFAOYSA-N 309.325 4.000 0 40 DHAB CCN1/C(=C2/N=C(c3ccccc3)OC2=O)Sc2ccccc21 102013388 ONDNRSSGBQIXAB-ICFOKQHNSA-N 322.389 3.791 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2cccs2)on1)[C@H]1C[C@H]2CC[C@H]1C2 103154328 PUSWQNOSDFODDA-MROQNXINSA-N 316.426 3.958 0 40 DHAB COC(=O)/C=C/c1ccc(-c2cccc(Br)c2)o1 216778096 ZWQBYNAWYGOJPU-SOFGYWHQSA-N 307.143 3.895 0 40 DHAB Cc1ccc(CCCNC(=O)COc2ccccc2Cl)cc1 218848104 CHXMQUWSCLNNBY-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1Cl 223319674 IAWBWUZKFVSPAO-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB CC(C)CNC(=S)Nc1ccc(N2C[C@@H](C)C[C@@H](C)C2)nc1 223878601 ALSOLKHYTUKDKS-OKILXGFUSA-N 320.506 3.506 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(COC)c1 224420145 DUTQICHDWJKRPC-AWEZNQCLSA-N 313.397 3.801 0 40 DHAB Cc1ccnc(NC(=S)NCCSC2CCCCC2)c1 225359421 DUTIDOASGKCRRA-UHFFFAOYSA-N 309.504 3.742 0 40 DHAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 225592185 UACCWOJZKMYCGJ-HNNXBMFYSA-N 318.461 3.782 0 40 DHAB COc1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)cc1OC 226763268 QXXYJARNTKWQKY-UHFFFAOYSA-N 320.776 3.500 0 40 DHAB CCc1cccc(CC)c1N(C(=O)c1ccco1)[C@@H](C)C(=O)O 255187576 FKQGXXOHZUTZBF-LBPRGKRZSA-N 315.369 3.524 0 40 DHAB O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](Cc2ccccn2)C1 257304012 SJSGUPCGWIDRTR-AWEZNQCLSA-N 322.399 3.688 0 40 DHAB CC(C)c1nn(C)cc1NC(=O)N(C)[C@@H](C)c1ccccc1 280849174 XAUQJIIKSMQNSG-ZDUSSCGKSA-N 300.406 3.768 0 40 DHAB Cc1ccc(-c2ccc(OC(=O)c3cccc(F)c3)nn2)cc1 408531462 UBATYJDEWURBOF-UHFFFAOYSA-N 308.312 3.810 0 40 DHAB CCc1ccc(CNC(=S)c2cccc(OC)c2OC)cc1 408573849 OTOLCHCYIBTPBG-UHFFFAOYSA-N 315.438 3.732 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCC1=CCCCC1 408706484 ZMERWXGQVVNRIH-SFHVURJKSA-N 317.429 3.859 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(F)cc1C(F)(F)F 575361381 ZILPFJBGGIJFKP-UHFFFAOYSA-N 306.255 3.761 0 40 DHAB CNc1cccc(CC[C@@H]2CCCCN2C(=O)C2CCCC2)n1 585177159 HWTQZWWDPFQTJT-KRWDZBQOSA-N 315.461 3.627 0 40 DHAB O[C@](CNc1nc2ccccc2o1)(c1cccs1)C1CC1 1775970278 ABWSSUJTMKRXEI-INIZCTEOSA-N 300.383 3.599 0 40 DHAB CCOC(=O)Cc1csc(NC(=O)CCC2CCCCC2)n1 85430 NMKCGWABIPCURG-UHFFFAOYSA-N 324.446 3.548 0 40 DHAB COc1ccc(C2=NN3COc4ccc(Cl)cc4[C@H]3C2)cc1 115060 AFLJSGKUEZJJDG-MRXNPFEDSA-N 314.772 3.850 0 40 DHAB Cc1nn(C(=S)NC2CCCCC2)c2c1[C@H]1[C@@H](C2)C1(C)C 486928 KRDBHIPSZWLZKN-IUODEOHRSA-N 303.475 3.543 0 40 DHAB biogenic O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1Cl 1993666 XDYAYJIVCUMTSR-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1CC 3085382 UKKYSAYHOSKACI-CQSZACIVSA-N 304.434 3.520 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)cc1OC 3482677 QOYNCVKJFIIGQH-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB O=C1C[C@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1cc(Cl)cc(Cl)c1 4860183 MYGHKFZMGWTNIN-LSYCYVAJSA-N 322.191 3.839 0 40 DHAB Cc1cc(OCc2nnnn2-c2ccccc2)cc(C)c1Cl 5007488 JOLGUYWGKLBCDI-UHFFFAOYSA-N 314.776 3.512 0 40 DHAB O=C1CCC2=C3[C@H]4CCCC[C@@H]4C(=O)[C@@H]4CCC[C@@H](O[C@H]2C1)[C@H]34 5049451 VETBAJOOAOCRGE-KAZSKIEPSA-N 314.425 3.609 0 40 DHAB CCOc1c(Br)cc(CN[C@H](C)CC)cc1OC 8325879 FCJSECIANIXELN-SNVBAGLBSA-N 316.239 3.745 0 40 DHAB CN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 8615388 PWVLZAWWMIOCEB-GCAZHLJYSA-N 317.473 3.726 0 40 DHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccno1 10253842 GTTNRUSUSAXQQM-UHFFFAOYSA-N 311.775 3.765 0 40 DHAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(C(C)C)n1 11695183 MXSRXSQUICJLCB-UHFFFAOYSA-N 301.390 3.812 0 40 DHAB CCn1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c(C)n1 12155410 LEVBGRLNVLIGRY-UHFFFAOYSA-N 315.392 3.550 0 40 DHAB O=C1C=C(NCc2ccccc2-n2cccc2)C2(CCCCC2)O1 12375524 HFYYGNIQWFILGB-UHFFFAOYSA-N 322.408 3.711 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N(C)c2nc3ccccc3o2)c1 12860378 RTVFWKAPSRRTRI-ZDUSSCGKSA-N 310.353 3.567 0 40 DHAB CC1=CN2C(c3ccccc3)=NON(c3ccc(C)cn3)[C@H]2C=C1 13213512 CPONYHNUQZXUNZ-SFHVURJKSA-N 318.380 3.605 0 40 DHAB O=C(/C=C/c1nc2ccccc2s1)NOCc1ccccc1 14200640 HDAMJDKSVMBXQK-ZHACJKMWSA-N 310.378 3.558 0 40 DHAB COc1ccc(C)cc1CC(=O)Nc1ccc(OC(F)F)cc1 14800037 PNCHOVFISZLZIN-UHFFFAOYSA-N 321.323 3.786 0 40 DHAB c1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 16046837 URECELDTGJJEAI-UHFFFAOYSA-N 314.392 3.843 0 40 DHAB C[C@H]1CCC[C@H](N2CCN(CCCc3ccccc3)CC2)C1 19900103 KOXWBYMAFNJUMY-ICSRJNTNSA-N 300.490 3.816 0 40 DHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccccc3)cc2)C1 22523695 JVVXVPANSMUZAE-QGZVFWFLSA-N 322.452 3.849 0 40 DHAB Cc1cc(CN[C@H](C)[C@@H](O)c2ccc(O)cc2)c(C)n1C(C)C 23673479 POCGPUUYGAXVLS-AUUYWEPGSA-N 316.445 3.603 0 40 DHAB Cc1n[nH]c(SCc2coc(-c3cccc(Cl)c3)n2)n1 26119133 UXNNKAVVPPZRQK-UHFFFAOYSA-N 306.778 3.714 0 40 DHAB CC(C)(C)c1ccc2cc(C(=O)NCc3ccccn3)[nH]c2c1 29738544 RUQKQKMRFVDCGG-UHFFFAOYSA-N 307.397 3.790 0 40 DHAB Cc1nc(-c2ccc(Oc3ncnc4sccc34)cc2)no1 32739704 GICYRAQOBMODJS-UHFFFAOYSA-N 310.338 3.842 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)c(F)c1 32914103 FWZZETIESZJEOG-CHWSQXEVSA-N 319.351 3.747 0 40 DHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@]1(C)CC1(Cl)Cl 32931248 REZQBCQQVAOHRP-ZANVPECISA-N 320.647 3.971 0 40 DHAB CC(C)Oc1ccc(CNC(=O)CSc2ccccc2)cc1 38755767 PTVTZBUOKOGXHG-UHFFFAOYSA-N 315.438 3.882 0 40 DHAB CC1(C)CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 39760192 LHBKGRPEOKATIQ-UHFFFAOYSA-N 314.473 3.547 0 40 DHAB O=C(NCCSC1CCCC1)c1ccc(F)cc1Cl 40082561 KAKMKWHVWABCHU-UHFFFAOYSA-N 301.814 3.885 0 40 DHAB Cc1c(C(=O)N[C@H](C)c2cccc(F)c2)oc2c1C(=O)CCC2 40130085 UVRPOILXXJTJPI-LLVKDONJSA-N 315.344 3.737 0 40 DHAB CCOP(=O)(OCC)C(F)P(=O)(OCC)OCC 40448584 CUUFRGSKZDJQKW-UHFFFAOYSA-N 306.207 3.772 0 40 DHAB in-vitro Cc1cccc(N(C)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 40478377 APVUKXPOWWUSGK-UHFFFAOYSA-N 309.344 3.801 0 40 DHAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2C=CCC2)c1 47407345 AVBLKJSTJLCQIJ-GFCCVEGCSA-N 320.820 3.773 0 40 DHAB CCc1ccsc1C(=O)NCCCCN(C)c1ccccc1 53213175 QNPGLZXSVJBFFH-UHFFFAOYSA-N 316.470 3.957 0 40 DHAB O=C(C1CCCCC1)N1CCC(OCc2ccccc2)CC1 65612030 BCIDEJQCNNHFPA-UHFFFAOYSA-N 301.430 3.775 0 40 DHAB C[C@@H]1CCCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 72292860 KVEPKZOURQZPEW-ACJLOTCBSA-N 324.465 3.519 0 40 DHAB Cc1cc(NC(=O)CCc2cn(C(C)C)c3ccccc23)nn1C 72404247 ZTDQYSPUBYUBLU-UHFFFAOYSA-N 324.428 3.835 0 40 DHAB CC(C)Cc1noc(CNc2ccc(F)cc2OCC2CC2)n1 77246518 WPEWXQQQNALKOH-UHFFFAOYSA-N 319.380 3.808 0 40 DHAB C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CC[C@@H]2CCCO2)C1 78933575 QLNAOJXDGHHHHO-KEYYUXOJSA-N 305.393 3.694 0 40 DHAB CCC1(CC)CC(=O)N(c2cccc(OC(F)F)c2C)C1=O 79112068 GTWOPQLAKCMVRB-UHFFFAOYSA-N 311.328 3.666 0 40 DHAB C[C@@H](NCCCCn1ccccc1=O)c1cc2ccccc2o1 95421257 GAROBWDZDMFLDD-OAHLLOKOSA-N 310.397 3.726 0 40 DHAB Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)c1n[nH]c(C)n1)CC2 95421731 AMSPZROQRILBRP-OALUTQOASA-N 318.424 3.788 0 40 DHAB CCCS(=O)(=O)Nc1cccc(NCc2ccc(C)o2)c1C 95428802 XEBLAFDFPHJQSE-UHFFFAOYSA-N 322.430 3.660 0 40 DHAB CNCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 95971501 GJVIRSGHYCISFZ-JKSUJKDBSA-N 314.816 3.802 0 40 DHAB CC[C@H](C)c1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)on1 96422274 PRKSAYRCHFGXRE-QWRGUYRKSA-N 302.378 3.608 0 40 DHAB Cc1noc(C)c1CN(CCCO)[C@H]1CCCc2ccccc21 96444979 IVIHLOGSWCWYSF-IBGZPJMESA-N 314.429 3.553 0 40 DHAB C[C@H]1[C@@H]2CC[C@@H]([C@@H]1OC[C@H](O)CSc1ccccn1)C2(C)C 101247598 TWDXDPVWDPRXGY-WNZSCWOMSA-N 321.486 3.622 0 40 DHAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(O)CCCC1=N2 101589145 WAHMAFPGCLVVII-LBPRGKRZSA-N 318.427 3.733 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCCCC2)nc1 105640436 OIBBPAUWSWJOBF-HRCADAONSA-N 313.445 3.837 0 40 DHAB c1ccc2oc([C@H]3CCCN(c4ccnc(C5CC5)n4)C3)nc2c1 112514183 DKKVEPKZASEVJL-AWEZNQCLSA-N 320.396 3.879 0 40 DHAB Cc1cc(CSCc2nnc(-c3ccccc3)s2)on1 127358711 QLJAZMCLWDYDOK-UHFFFAOYSA-N 303.412 3.935 0 40 DHAB Cc1nccn1CCCCN[C@@H]1CCCOc2cc(F)ccc21 182097572 GLQLVOPPHCCPQJ-QGZVFWFLSA-N 317.408 3.614 0 40 DHAB O=C(CSc1ccccc1)NCCOc1ccccc1Cl 223387730 HBQBQDRSHSQJKY-UHFFFAOYSA-N 321.829 3.627 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)Cc2ccc(Cl)cc2)c1 224005807 AGFVRGYDIRSSIH-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 225219808 KQHVQLQFCSWEST-CQSZACIVSA-N 322.880 3.713 0 40 DHAB CCCOc1ccccc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCC[C@H]2O1 257329170 XIUQGCRCKZJUOO-RGIVZKHGSA-N 317.429 3.610 0 40 DHAB O=C(COCc1ccccc1)c1ccc(OC(F)(F)F)cc1 382703106 DJOJWYRYEWDXEH-UHFFFAOYSA-N 310.271 3.985 0 40 DHAB CC(C)C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714294 NGEYVMOYJLIKDO-UHFFFAOYSA-N 315.417 3.649 0 40 DHAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)c3ccccc3c1)CO2 525926368 DNDKYDIBWVBYRJ-KRWDZBQOSA-N 319.360 3.717 0 40 DHAB COc1ccccc1-c1cccc(NC(=O)Cc2cc(C)no2)c1 1565649646 MWSPFQAYOPITLO-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB O=C(N[C@@H](c1cccs1)C1CCOCC1)OCC(F)(F)F 1775967743 BOHXBHNJMNHSKQ-LLVKDONJSA-N 323.336 3.504 0 40 DHAB C[C@@](N)(CC(=O)c1c(F)cccc1F)c1c(F)cccc1F 2050025169 XSFRPOQBNKVAAG-MRXNPFEDSA-N 311.278 3.690 0 40 DHAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccncc1 182993 OYQSAZUKDCGCTR-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB CCc1cc2cccc(C)c2nc1SCC(=O)N1CCCC1 413130 VZAMDEAMYTZPNT-UHFFFAOYSA-N 314.454 3.820 0 40 DHAB COc1ccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)cc1 418156 WVFVFCLIJRWLQA-UHFFFAOYSA-N 323.396 3.691 0 40 DHAB COc1ccc(OC)c(-n2c(C)c3c(C)nnc(C)c3c2C)c1 544695 ZZRIFAVBXAGGSU-UHFFFAOYSA-N 311.385 3.671 0 40 DHAB COC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1cccs1 2708278 WCUNYAKBFUHHFB-FNORWQNLSA-N 321.785 3.840 0 40 DHAB Cc1cccc(N[P@@](C)(=O)c2nc3c(s2)CCCC3)c1 3196157 CKTWSEFPYXPJJG-IBGZPJMESA-N 306.371 3.976 0 40 DHAB C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc(F)cc1 3516005 QCHGBJJYJDUTMX-LLVKDONJSA-N 307.752 3.735 0 40 DHAB CC(C)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 3898721 PFXUNGBEYGLNRR-UHFFFAOYSA-N 305.447 3.816 0 40 DHAB O=C(CSc1c[nH]c2ccccc12)NCCc1ccccc1 4108471 VZXNPSXJQNJPTC-UHFFFAOYSA-N 310.422 3.619 0 40 DHAB CC(C)Nc1nc(N)c(C(=O)C23CC4CC(CC(C4)C2)C3)s1 4178059 VWFMMIJBICAPSL-UHFFFAOYSA-N 319.474 3.945 0 40 DHAB CCc1cccc2sc(NC(=O)COc3ccccc3)nc12 4348700 IPESXBKLWHHCBS-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB Ic1ccccc1/C=C\c1ccccn1 4824310 WRQGEDHMZRDHGA-HJWRWDBZSA-N 307.134 3.857 0 40 DHAB CC[C@@H]1CC[C@H]2[C@H](CC[C@@]3(N(C)C)CC[C@@H](OC)[C@@H](OC)[C@H]23)C1 5339250 JGYKCSORDIHDBG-DXXZMKCOSA-N 323.521 3.963 0 40 DHAB CCCCN(CCCC)C[C@@H](O)Cc1ccc(OCC)cc1 5973428 BNXHRFRXIYQBSO-SFHVURJKSA-N 307.478 3.891 0 40 DHAB CC(C)NC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 6509753 IFCQPISAHNQKSH-UHFFFAOYSA-N 323.318 3.982 0 40 DHAB Cc1nc(-c2ccc(-n3nncc3-c3ccco3)cc2)cs1 6566286 FXAPHPVFKOTDSV-UHFFFAOYSA-N 308.366 3.959 0 40 DHAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C 6787540 PHKQYMXUJWJNNT-JBLDHEPKSA-N 317.355 3.561 0 40 DHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2ccccc2c1 6839449 ZSUKRTRPKXIQOU-UHFFFAOYSA-N 319.360 3.792 0 40 DHAB CCCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 7052811 LFTNNTKKLWFGEO-UHFFFAOYSA-N 319.426 3.893 0 40 DHAB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1 7078208 ITEVRHWZBWWHJI-QXPQOBGOSA-N 312.413 3.830 0 40 DHAB O=C(NC1CC1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 7676171 PARYRTDLTORKNP-MRXNPFEDSA-N 323.421 3.675 0 40 DHAB COc1ccccc1/C=C/[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7885919 ZIXGKHGXCQWXNH-YFPIXMDGSA-N 320.392 3.765 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N2CCc3ccccc3C2)c(C)c1 8498613 BOQBJBBNHUSJLQ-MRXNPFEDSA-N 309.409 3.656 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 9365596 GJILGZSVKMWGQI-CYBMUJFWSA-N 324.346 3.901 0 40 DHAB COc1cccc(/N=c2\scc(C)n2Cc2ccccn2)c1 9682878 UNGISIVVYARDMO-ZPHPHTNESA-N 311.410 3.542 0 40 DHAB S=c1[nH]nc([C@@H]2COc3ccccc3O2)n1C1CCCC1 11692627 YDZVMAGABFVQFM-ZDUSSCGKSA-N 303.387 3.568 0 40 DHAB COc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 11914413 QTLDHFVKMWJGPJ-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB Fc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2)cc1 12338004 VQWMKTDYCZUVSX-WDYCEAGBSA-N 312.388 3.653 0 40 DHAB C[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccccc1 12756202 ODFSFKFTSTZOOC-KGLIPLIRSA-N 314.454 3.545 0 40 DHAB Cc1nc(C)c(C(=O)Nc2ccc3nc(C)sc3c2)s1 12983312 PBYBBEOACLANHO-UHFFFAOYSA-N 303.412 3.930 0 40 DHAB COC(=O)c1ccc(OC(=O)C2(c3ccccc3)CCCC2)cc1 13137609 VYWBHOACJBUNEQ-UHFFFAOYSA-N 324.376 3.891 0 40 DHAB CC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)cc1C 15290331 VDHBRWSSUBCIEM-UHFFFAOYSA-N 316.788 3.902 0 40 DHAB CCc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1 15952035 UKUMOPMUYXUWNT-UHFFFAOYSA-N 315.376 3.919 0 40 DHAB O=C(Nc1ccc(Br)cc1Cl)c1ccoc1 24478369 OOXTUKLWQNJSQH-UHFFFAOYSA-N 300.539 3.948 0 40 DHAB COc1cccc([C@H]2CCCN2C(=O)c2cccc3cn[nH]c23)c1 25610317 SYECUTJHORGUGF-QGZVFWFLSA-N 321.380 3.549 0 40 DHAB C[C@@H]1c2cccn2CCN1C(=O)Cc1ccc2ccccc2c1 30264626 PPHQDUDOSNKCTQ-OAHLLOKOSA-N 304.393 3.787 0 40 DHAB O=C(/C=C/c1ccco1)Nc1cccc(Oc2cnccn2)c1 32029432 WZEPQSGGKYBOKH-VOTSOKGWSA-N 307.309 3.514 0 40 DHAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccccn1 32716667 STNRZHJAJLYHHX-LBPRGKRZSA-N 310.328 3.972 0 40 DHAB Cc1ccc(CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1 32739758 HEPKGBCEDQVFCN-KRWDZBQOSA-N 322.452 3.713 0 40 DHAB O=C(NCCc1ccc(F)cc1)Nc1cnc2ccccc2c1 32754940 WFHJITLUTXJOPL-UHFFFAOYSA-N 309.344 3.738 0 40 DHAB CCCN(Cc1c(Cl)cccc1Cl)C1CCNCC1 37538996 TVKMTBJHCDZQLN-UHFFFAOYSA-N 301.261 3.957 0 40 DHAB Cc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 38833196 ZCULXXKZRVOALV-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CCc1ccc(CNC(=O)c2ccc(Br)o2)s1 40106759 DJJPDSMYXKJMMG-UHFFFAOYSA-N 314.204 3.596 0 40 DHAB Fc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)c2ncccc12 40153604 JBLNJILUIKZBCA-IRXDYDNUSA-N 300.377 3.517 0 40 DHAB CSc1nc(C(=O)Nc2ccc(C)c(C)c2)c2ccccn12 40157946 IPJWRSNVNMJWRW-UHFFFAOYSA-N 311.410 3.925 0 40 DHAB CC(C)c1nc2ccc(NC(=O)COc3ccccc3)cc2[nH]1 40285965 GATUOOFLYVCGJI-UHFFFAOYSA-N 309.369 3.704 0 40 DHAB O=c1ccc(-c2ccco2)nn1Cc1ccc2ccccc2c1 40286597 YIHFGIUAQGPEBA-UHFFFAOYSA-N 302.333 3.705 0 40 DHAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)c2nccs2)c1 40553523 ZIHNUTFQTNOATO-JTQLQIEISA-N 310.806 3.535 0 40 DHAB Cc1ccccc1CC(=O)Nc1ccc(Br)c(C)n1 41107583 CZISGWMUGJGGQH-UHFFFAOYSA-N 319.202 3.642 0 40 DHAB O=C(Cc1ccc(-c2nc3ccccc3o2)cc1)N1CCCC1 41127110 RTOUWIQDPKFBPR-UHFFFAOYSA-N 306.365 3.660 0 40 DHAB Cn1ccnc1COc1ccc(NC(=O)C2CCCCC2)cc1 42708362 UTIQPJBATPIIBT-UHFFFAOYSA-N 313.401 3.518 0 40 DHAB COc1ccc(C(=O)N2CCCCCCC2)cc1OC(F)F 48080833 LGUDJJSGRLEZQJ-UHFFFAOYSA-N 313.344 3.703 0 40 DHAB CCn1nc(C)c2ncnc(N[C@@H](C)c3ccc(C)cc3C)c21 57280200 XBKNVAXWEDVFOI-ZDUSSCGKSA-N 309.417 3.945 0 40 DHAB O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 67052784 REIQLSUTOZDVPO-QZTJIDSGSA-N 321.355 3.754 0 40 DHAB C[C@@H](C1CC1)N(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1 69597120 UGGJVYGCZRHYFR-NSHDSACASA-N 318.417 3.744 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C 72214723 ZYIOUUXCLLIKAQ-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(C)=O)CCO2 72296719 XUVXQRUXUFLNBC-SFHVURJKSA-N 311.381 3.568 0 40 DHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(F)c(F)c2)on1 72395102 ZFWKNRIGXSKJAZ-SUMWQHHRSA-N 306.356 3.762 0 40 DHAB C[C@@H](C(=O)Nc1cccc(Nc2ccccc2)c1)n1ccnc1 75138612 VQHVKLUWDGEVFF-AWEZNQCLSA-N 306.369 3.826 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cccnc2)o1 76066714 CSLKGPJJXZNXAN-BBRMVZONSA-N 313.401 3.666 0 40 DHAB CCc1noc(C)c1C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 79356479 OFTZBIVNFYJGCW-NSHDSACASA-N 304.365 3.908 0 40 DHAB CCOCCCNC(=O)c1ccc(C(=O)C2CCCCC2)cc1 80340443 DRSMDIPOLIJRSM-UHFFFAOYSA-N 317.429 3.606 0 40 DHAB C[C@H](CCc1cccc(F)c1)NCc1ccc([S@@](C)=O)cc1 85324804 HXWZHCWGBBQQFJ-PEBXRYMYSA-N 319.445 3.674 0 40 DHAB C[C@@H]1C[C@@H](C)CN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)C1 85432445 ZKVWTHGVYYKKBU-UVWXRNBGSA-N 320.820 3.925 0 40 DHAB CCO[C@H](C)c1nccn1Cc1nc(-c2ccccc2)oc1C 89521740 ATZNEGOGKDWYKK-CQSZACIVSA-N 311.385 3.992 0 40 DHAB Cc1ccc(NC(=O)NCc2nnc(C(C)(C)C)s2)c(C)c1 89614115 XYWBBBQMFPSQRY-UHFFFAOYSA-N 318.446 3.774 0 40 DHAB CC(C)(C)OC(=O)N1c2ccc(Cl)cc2[C@@H]2CNCC[C@@H]21 95635407 IZHFFHWVHONBQY-JSGCOSHPSA-N 308.809 3.541 0 40 DHAB Cc1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)o1 95962155 RVWXTDCUYLINNX-AWEZNQCLSA-N 301.411 3.842 0 40 DHAB COc1ccc([C@@H](O)CN[C@H]2CC(C)(C)Cc3occc32)cc1 95967217 KYCWPILOBLKWQK-IRXDYDNUSA-N 315.413 3.625 0 40 DHAB CC(C)c1nnc(NCc2cc(Br)cs2)o1 95990033 DCDXBSHQWXGLTA-UHFFFAOYSA-N 302.197 3.629 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccccc1Cl)c1ccsc1 96097395 AINSGZKFIIMZTG-LFAOLKIESA-N 321.829 3.919 0 40 DHAB COC(=O)C[C@@H](c1c(O)ccc2nsnc12)C1CCCCC1 96232670 XLLYXADOEGZOJF-LLVKDONJSA-N 320.414 3.624 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(Cl)c2)cc1 114426874 GPNODRDZNZKQRH-LLVKDONJSA-N 319.788 3.848 0 40 DHAB O=[S@](C[C@@H]1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1 194504778 RBEYHKFVBKSSAK-WPCRTTGESA-N 312.740 3.645 0 40 DHAB O=C(/C=C/c1ccco1)NCc1cncc(-c2ccsc2)c1 206942237 HKBKLQCPIVIDSQ-ONEGZZNKSA-N 310.378 3.733 0 40 DHAB Cc1cc(C(=O)N2CCS[C@H](c3ccco3)CC2)c(C)o1 207009164 DGEBJFWERBJPRR-HNNXBMFYSA-N 305.399 3.810 0 40 DHAB Cc1ccc(CC(=O)NCc2ccc(OC(C)C)cc2)c(C)c1 224108929 PXGFISOEXIAZOJ-UHFFFAOYSA-N 311.425 3.950 0 40 DHAB COc1ccccc1O[C@@H](Cc1ccc(C)c(Cl)c1)C(=O)O 225080285 WSGMMWHBWDRVEA-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1ccc(OCc2ccccc2)cc1 382700021 NOIKRNALFQMDPA-UHFFFAOYSA-N 312.365 3.790 0 40 DHAB CCCc1ccc(C(=O)NCc2nccnc2-c2ccoc2)cc1 575619472 FUFNSWDAWLUNSM-UHFFFAOYSA-N 321.380 3.619 0 40 DHAB C[C@H]1CCC[C](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 1560408681 QOTBXPRMOIAXQS-QBODLPLBSA-N 319.377 3.915 0 40 DHAB O=Cc1nc(Br)c(-c2ccccc2C(F)(F)F)[nH]1 1857794910 VAEMGTDPOURISB-UHFFFAOYSA-N 319.080 3.671 0 40 DHAB CSc1ccccc1NC(=O)c1ccc2nc(C3CC3)cn2n1 1888906742 ILMOKWGTDUERFX-UHFFFAOYSA-N 324.409 3.581 0 40 DHAB CC(C)=CCC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O 52077 FKRFVQBBBINMFD-ROUUACIJSA-N 303.402 3.852 0 40 DHAB COc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 579656 IUQIDDRTWXBWEG-LLVKDONJSA-N 305.761 3.755 0 40 DHAB O=C(O)[C@H]1OC1(c1ccccc1Cl)c1ccccc1Cl 1674762 FKDCFPLJHRNFNM-CYBMUJFWSA-N 309.148 3.720 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCc1ccccc1Cl 2617080 OEOASHCZLNMDNB-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB O=C1NC2(CCCCCC2)N=C1c1ccc(Cl)cc1Cl 4891324 KPPNCLPTVOAKBN-UHFFFAOYSA-N 311.212 3.963 0 40 DHAB CC(C)c1ccc(CNCCCSc2ncccn2)cc1 4984185 FXYUGLSICGQBAT-UHFFFAOYSA-N 301.459 3.872 0 40 DHAB CCN(CC)CCNc1ncnc2sc3c(c12)C[C@@H](C)CC3 5033089 IMWLHHPIVNYXAE-LBPRGKRZSA-N 318.490 3.570 0 40 DHAB Cc1ccc(C)c(OCCC(=O)NCCc2ccc(F)cc2)c1 6305468 HMQVEUUMLLHMKB-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB COc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 6811309 SIIGPUMMXKHTRF-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB S=C(NCc1ccccc1)Nc1cccc(Br)c1 6896630 YEEAQDJDNRXJNQ-UHFFFAOYSA-N 321.243 3.936 0 40 DHAB Cc1nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2s1 7505253 SFAZICJLTGYEKQ-UHFFFAOYSA-N 322.386 3.545 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 7935393 SISQOFUCVRCYNH-AWEZNQCLSA-N 315.438 3.801 0 40 DHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)O 8215000 VYVGVNHDYKXAIG-GFCCVEGCSA-N 315.394 3.645 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(F)cc(F)c1 8264627 ZUIIOHIEIGFJJU-UHFFFAOYSA-N 318.348 3.847 0 40 DHAB COC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1C 8330783 FKZRCLPIKXSCSE-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(OCC)c(OC)c2)cc1 10039004 AZTPNZRKRGKCFE-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB O=c1cc(-c2cccc3ccccc23)[nH]c2nc3ccccc3n12 10325376 KJKDVUOBKMHOBM-UHFFFAOYSA-N 311.344 3.996 0 40 DHAB CCC[C@H](C)NC(=O)NCc1ccc2cc(OC)ccc2c1 10465621 KGTMKRRXQYEROE-ZDUSSCGKSA-N 300.402 3.836 0 40 DHAB CC(C)CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 12728748 HJVJBSMPSODIFY-UHFFFAOYSA-N 324.424 3.644 0 40 DHAB O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)C1CC1 12784078 QTMPKHBUXANUCZ-UHFFFAOYSA-N 321.829 3.693 0 40 DHAB Cc1ccccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12910424 RHEBNNAJNYNQED-UHFFFAOYSA-N 307.353 3.969 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1 13001210 XFLDSDQWSAHALH-HNNXBMFYSA-N 322.408 3.603 0 40 DHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 13005617 DGTFQSDFTTYGMD-ACJLOTCBSA-N 323.392 3.669 0 40 DHAB O=C(CCc1ccccc1)NCCSCc1ccccc1F 13669068 WTBAJDYLTOKONZ-UHFFFAOYSA-N 317.429 3.808 0 40 DHAB O=C(NCc1cccnc1)c1ccccc1OCc1ccccc1 13687068 OOAQBVSDUHWGEH-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1 14256162 BRXYNNXPTWWFHS-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB Cc1ccc2nc3sc(Nc4ccccc4C)nn3c(=O)c2c1 17121844 BWXCSIJTTIXUOL-UHFFFAOYSA-N 322.393 3.665 0 40 DHAB O=C(O)c1cc2cc(NC(=O)c3ccccc3F)ccc2s1 20136087 LCGMSUAXRWGCDM-UHFFFAOYSA-N 315.325 3.991 0 40 DHAB Cc1cccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 21785023 NYTZIXGITLZYIP-JXMROGBWSA-N 315.800 3.857 0 40 DHAB CCOC(=O)N1CCN[C@@H](c2ccccc2)[C@H]1c1ccccc1 22115386 IHGUOBVQHSJQOW-ZWKOTPCHSA-N 310.397 3.531 0 40 DHAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Cl)o1 32762433 KIDSGMRAIWVWMS-LLVKDONJSA-N 324.833 3.561 0 40 DHAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 38849309 DWYWUSLJDVIUTF-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB Cc1cc(C)cc(OCCC(=O)NCc2sccc2C)c1 40070962 HZSDSBVFTYFMFK-UHFFFAOYSA-N 303.427 3.759 0 40 DHAB COCCCCNC1CC(c2cccc(Br)c2)C1 44657297 VIMQBCXFPFQYHS-UHFFFAOYSA-N 312.251 3.711 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@H](c1ccccc1)c1cccs1 44939636 VBMOGSUTQFQNIY-WMLDXEAASA-N 301.411 3.523 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc2oc(=O)ccc2c1 54253953 MJJVZWVJDKKFDF-YCRREMRBSA-N 309.296 3.584 0 40 DHAB COc1ccc(CCCCC(=O)N[C@@H](C)c2cccnc2)cc1 57030735 MGYOXCKAKCMDHQ-HNNXBMFYSA-N 312.413 3.680 0 40 DHAB O=C(/C=C/c1ccco1)Nc1c(Cl)ccc2nsnc12 57312929 GZMYQWCELSADKS-ZZXKWVIFSA-N 305.746 3.590 0 40 DHAB COc1cccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c1 57456382 KKWMMYWFTQNADB-LBPRGKRZSA-N 318.804 3.638 0 40 DHAB COC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 58871382 DQPIVJYEITUCCB-UHFFFAOYSA-N 320.395 3.897 0 40 DHAB CC(C)(C)N1CCC(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 69382005 CALJSIWKZMXBSZ-TZMCWYRMSA-N 306.416 3.960 0 40 DHAB COCC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 69895993 LFTDKJNBRFRDAI-VIFPVBQESA-N 324.833 3.596 0 40 DHAB Cc1cc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)o1 70640435 VWJZKHJJYCBIIY-UHFFFAOYSA-N 321.442 3.609 0 40 DHAB CCCc1nc([C@H](NC(=O)CC(C)(C)C)c2ccccc2)no1 71914364 SDSZAYJFCTWVON-MRXNPFEDSA-N 315.417 3.664 0 40 DHAB O=C(CCc1ccc(F)cc1)Nc1ccc(-c2ccccc2)nn1 75108364 BGMFSDOIUIPGTI-UHFFFAOYSA-N 321.355 3.854 0 40 DHAB COC[C@@H](NC(=O)N[C@@H](C)c1cc(C)oc1C)c1ccc(C)o1 84195176 UQJLSKRVHKUNGC-SWLSCSKDSA-N 320.389 3.546 0 40 DHAB C[C@H](NCc1ccc([S@](C)=O)cc1)c1csc(C2CC2)n1 84667547 DGZMPYHTLQHXJD-WIUDPPPLSA-N 320.483 3.609 0 40 DHAB CC1CCN(C(=O)Nc2ccc(SCCN(C)C)cc2)CC1 95396865 NQNKYOHZRCDDSJ-UHFFFAOYSA-N 321.490 3.604 0 40 DHAB CC(C)Nc1c(Cl)cccc1NCc1cn2cccnc2n1 95418015 QDYATMFIQURDQT-UHFFFAOYSA-N 315.808 3.815 0 40 DHAB CCC(CC)C(=O)N1CCC(Nc2cccc(OC)c2)CC1 96418493 MOAGONZFZKRECZ-UHFFFAOYSA-N 304.434 3.534 0 40 DHAB COc1ccc(CN(Cc2ncc(C)o2)C(C)(C)C)c(OC)c1 96474633 KQVSHSJSYGMMMF-UHFFFAOYSA-N 318.417 3.801 0 40 DHAB O=C(c1ccco1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 106638374 LOJONMJJVHHNAE-QZTJIDSGSA-N 324.424 3.549 0 40 DHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccs2)S1 222568073 KGIPBQCACLWJFH-SWHYSGLUSA-N 301.440 3.732 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)NC(C)(C)Cc2ccccc2)c1 222704181 JPPORJMXLUGRAQ-UHFFFAOYSA-N 317.454 3.603 0 40 DHAB CCCOC1(C(=O)Nc2cnc(OC)c(C)c2)CCCCCC1 225910236 XUVSAZJPNYFWKI-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB Nc1cc(C(=O)N2CCc3ccccc32)c(Cl)cc1Cl 226304237 FEVPQILKGHIGCW-UHFFFAOYSA-N 307.180 3.779 0 40 DHAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2ccc(Cl)cc2)C1 228910352 NNNOXHUFBNFOQD-ZDUSSCGKSA-N 323.820 3.709 0 40 DHAB CC(C)C(=O)N[C@@H]1C[C@H](c2cc(F)ccc2F)O[C@@H]2CCC[C@@H]12 257262544 LLWAXQWYDVBJHF-WBQNTZJQSA-N 323.383 3.736 0 40 DHAB Cc1cc(C)c(NC(=O)c2cn(C)c3ccccc3c2=O)c(C)c1 408713157 MDICPLAFXXNCGU-UHFFFAOYSA-N 320.392 3.716 0 40 DHAB O=C(c1c(F)c(F)c(F)c(F)c1F)C(Cl)(Cl)Cl 575358886 WMYVITJERZAFRH-UHFFFAOYSA-N 313.436 3.935 0 40 DHAB CNC(=O)c1c(-c2ccc(Cl)cc2)cn2c(C)cc(C)nc12 1385407 XDPDUFDSIBXNRR-UHFFFAOYSA-N 313.788 3.631 0 40 DHAB COc1ccc([C@@H]2CCCC[C@@H]2SCC(=O)O)cc1OC 1715785 OIZZURHKYIZIGQ-WFASDCNBSA-N 310.415 3.548 0 40 DHAB Cc1c(OCC(=O)C(C)(C)C)ccc2c3c(c(=O)oc12)CCC3 3200581 VEYACXRAZRKBAG-UHFFFAOYSA-N 314.381 3.584 0 40 DHAB Cc1nn(CC2CC2)c(=O)n1-c1ccc(Oc2ccccc2)cc1 4088894 GZLKCPVCFQTHSO-UHFFFAOYSA-N 321.380 3.545 0 40 DHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C1CCCC1 4305039 VIVPKWMVEDKLFS-GOSISDBHSA-N 324.424 3.690 0 40 DHAB CCCNC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)cc1 4664711 QYMCNYCVNIZQFJ-JXAWBTAJSA-N 319.408 3.738 0 40 DHAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCCC1 4970861 HNKJDMDNHCTHPE-UHFFFAOYSA-N 310.422 3.987 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CO[C@@H]1C[C@H](C)CC(C)(C)C1 5559734 FWSHCMODWGVIGW-IECFSIQFSA-N 311.510 3.842 0 40 DHAB CCN(CC)c1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 5849815 RSLWYZOWJZQAPT-UHFFFAOYSA-N 324.833 3.937 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 6048865 FOHAFFYGSYMCOQ-LMFLDHGRSA-N 313.441 3.929 0 40 DHAB COc1ccccc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 6174973 FCFBTLAUQNIDBW-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB C[C@@H](SCC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 7609412 PWMGMHZIJSIIPS-GFCCVEGCSA-N 311.410 3.996 0 40 DHAB O=S(=O)(Nc1cccc2cccnc12)c1ccccc1Cl 7709465 XSBNGZNVBXGGKC-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1 7951406 LVKBLNKSOQSMTN-UHFFFAOYSA-N 324.424 3.921 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)c1cc2ccccc2[nH]1 11830370 PBIQFIZGFOVBBB-UHFFFAOYSA-N 323.348 3.736 0 40 DHAB O=C(Cc1cc(-c2cccs2)on1)Nc1ccc(F)c(F)c1 12422255 NDIXFPCOJIDJLC-UHFFFAOYSA-N 320.320 3.863 0 40 DHAB Nc1nc(CN2CCC[C@H]2c2cccs2)nc2ccccc12 12534748 KSVJUSZLOQGGGK-AWEZNQCLSA-N 310.426 3.611 0 40 DHAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1C)c1ccccc1 12763842 XUSVRNUVMDPBNZ-KEYYUXOJSA-N 322.408 3.772 0 40 DHAB CC(C)N(CCNC(=O)c1cc2cc(Cl)ccc2[nH]1)C(C)C 12907978 APXGOWBRHJNABA-UHFFFAOYSA-N 321.852 3.670 0 40 DHAB CC(C)c1ccccc1OC(C)(C)C(=O)N[C@H](C)[C@H]1CCCO1 13331588 FHMSCWHMBGXZSC-GDBMZVCRSA-N 319.445 3.651 0 40 DHAB CCCOc1cccc(C(=O)Nc2ccc3nsnc3c2)c1 15841286 AMYUUTXINPFEEH-UHFFFAOYSA-N 313.382 3.732 0 40 DHAB CN(C)[C@@H](CNC(=O)c1cccc2ccccc12)c1cccs1 22687785 MFBBLTFBZUOBAM-KRWDZBQOSA-N 324.449 3.934 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(-c3ccccc3)n[nH]2)C1(C)C 25162505 NCMVYIVNXTXASO-KBPBESRZSA-N 310.401 3.649 0 40 DHAB Cc1occc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1 27920708 NTFPPPSDYADDBI-UHFFFAOYSA-N 315.760 3.739 0 40 DHAB Cc1ccc2[nH]c(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2c1 29550918 WMMFMGAOEZUWAR-LBPRGKRZSA-N 310.319 3.891 0 40 DHAB CC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 31829402 ZYTXARZTTFFTOH-LBPRGKRZSA-N 309.365 3.503 0 40 DHAB COc1ccc(/C=C/C(=O)N(C)Cc2ccsc2)cc1F 32744817 AXFKHYIQCFTUDT-GQCTYLIASA-N 305.374 3.568 0 40 DHAB Cc1cn2nc(NCCCSc3ccccc3)sc2n1 32824985 VBOZZKVNJSHWDR-UHFFFAOYSA-N 304.444 3.694 0 40 DHAB COc1ccc2c(CN(C)C3CCCCCC3)cc(=O)oc2c1 32858122 JOKQGEMEBWJLAL-UHFFFAOYSA-N 315.413 3.956 0 40 DHAB CCC(=O)Nc1cc(NC(=O)c2ccc(F)cc2)ccc1C 36566987 MXGLZUJGZOUHLK-UHFFFAOYSA-N 300.333 3.735 0 40 DHAB Cc1cc(Br)cnc1N1CCc2ccccc2C1 42783644 LJORNIGZTHSVTB-UHFFFAOYSA-N 303.203 3.715 0 40 DHAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCCCC1 44838684 VUFAPUXXBSOOIG-UHFFFAOYSA-N 305.381 3.856 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C)cc1 44840556 XEDGDQGAXUKAHD-SFHVURJKSA-N 315.388 3.950 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)n[nH]2)cc1 51315556 KJMPHRASNGPPDE-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB CC(C)(C)[C@@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 59578278 GSOXCCXZVROLMH-FQEVSTJZSA-N 322.452 3.953 0 40 DHAB Cc1cnn(C[C@H]2CCCCN2Cc2ncc(C(C)(C)C)o2)c1 69706118 ONFGSERZOPDNQR-OAHLLOKOSA-N 316.449 3.532 0 40 DHAB Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 72064035 OJDFYEWYGSZIJW-UHFFFAOYSA-N 304.187 3.939 0 40 DHAB Cc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1 72289147 OSOHUDPRXCEJLB-GOSISDBHSA-N 310.397 3.725 0 40 DHAB CCCOc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)c1 75104493 YZIXVMBPKBUQIP-SJLPKXTDSA-N 319.445 3.656 0 40 DHAB O=C(Nc1nncs1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 78610977 XAJAVVYDZFGWAS-YUMQZZPRSA-N 314.197 3.587 0 40 DHAB CC1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)nc2)CC1 79029365 RIMNNGLZQAISBL-HNNXBMFYSA-N 324.428 3.522 0 40 DHAB c1cc(CN2CCC[C@H](c3cn[nH]c3)C2)cc(-c2ccncc2)c1 92809862 SNBUGIVIYIUGLU-IBGZPJMESA-N 318.424 3.851 0 40 DHAB CC(C)(C)[C@H](CCO)NC(=O)Nc1cc(Cl)ccc1Cl 95393408 BRSZJOPBCDUMRF-LBPRGKRZSA-N 319.232 3.912 0 40 DHAB CCn1nc(C)c(NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1C 95403928 OXLRCQISJVSLIV-UHFFFAOYSA-N 324.388 3.554 0 40 DHAB CCNc1ncc(C(=O)N(C)c2nc([C@@H](C)CC)cs2)s1 95429498 XVAURUQYKYMBIL-VIFPVBQESA-N 324.475 3.822 0 40 DHAB CC1(NC(=O)Nc2ccccc2SC(F)F)CCOCC1 95446471 UFXRREGVBHDNSN-UHFFFAOYSA-N 316.373 3.692 0 40 DHAB COc1ccccc1-c1nc2nccc(-c3ccsc3)n2n1 95474133 DEAMBVXIBZLBSE-UHFFFAOYSA-N 308.366 3.528 0 40 DHAB CCC[C@H](CN1CCC(c2nncn2C)CC1)c1ccccc1 95986581 SSCANUJBKVJHHZ-GOSISDBHSA-N 312.461 3.578 0 40 DHAB CO[C@H](CNC(=O)c1ccccc1Cl)c1cccc(F)c1 96388004 SNUTYCNHENAZLL-OAHLLOKOSA-N 307.752 3.597 0 40 DHAB CCS[C@H]1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 97009923 FNKUWKAHQFSFBK-PLENUKSMSA-N 307.503 3.993 0 40 DHAB COC1CCC(OC(=O)c2nc(C)oc2-c2ccccc2)CC1 97136970 AQSOFGNUPNWECK-UHFFFAOYSA-N 315.369 3.764 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CCC[C@H]1COC2 101328546 UCKSYPURHXTCLD-QWRGUYRKSA-N 315.200 3.779 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3ccccc3)cc12 107151311 QMEKBJGBZAYRMV-LBPRGKRZSA-N 309.369 3.837 0 40 DHAB COc1ccc(Oc2ncccc2NCc2cncs2)cc1 195573333 AVCPXTXIGZJFDS-UHFFFAOYSA-N 313.382 3.951 0 40 DHAB Cc1ccc(C)c(OCC(=O)n2cc(C(=O)O)c3ccccc32)c1 218736883 NUPKNQSFXBSSJE-UHFFFAOYSA-N 323.348 3.676 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(F)cc1 224437203 LPBNKZGTOHBRCA-GOSISDBHSA-N 315.388 3.650 0 40 DHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1C1CCCC1 225004710 WGWUYEILIXJMRZ-HZPDHXFCSA-N 313.426 3.590 0 40 DHAB CC(C)O[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111244 FPAWASWQZBXOLE-QGZVFWFLSA-N 300.354 3.900 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1cccc(C(=O)OCC)c1C 225382959 JRZPRLRWXMKSKL-LLVKDONJSA-N 308.447 3.647 0 40 DHAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2OC)cc1C 225718215 WOGUGVBBBBMEOX-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB CCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 225724676 ABWYKFRZSVSZCD-GOSISDBHSA-N 305.418 3.926 0 40 DHAB C[C@@H](NC(=O)c1conc1-c1ccccc1)c1ccc(F)cc1 225870324 HMCPYBMYJFNNFZ-GFCCVEGCSA-N 310.328 3.972 0 40 DHAB COC(=O)C[C@@H](Cc1nc2ccccc2s1)C(F)(F)F 256052788 ORFHKMRGJYAFJV-MRVPVSSYSA-N 303.305 3.580 0 40 DHAB CC(=O)N[C@]1(C)C[C@H](c2ccccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 257315262 VAODEMNOKNWWIO-AQCJLOBTSA-N 317.429 3.553 0 40 DHAB COc1ccc(-c2ccc(OC(=O)c3ccc(C)cc3)nn2)cc1 408531582 VCSGNYNRKSFWLK-UHFFFAOYSA-N 320.348 3.680 0 40 DHAB C[C@@H](C(=O)NCc1c(F)cc(F)cc1F)c1cccc(F)c1 511017473 RAUSTEUGRKUHIT-SECBINFHSA-N 311.278 3.663 0 40 DHAB CO[C@@H]1CCC[C@@H](Sc2nnc(-c3cccs3)n2C)C1 585118909 HRRBEFLXJPALDW-GHMZBOCLSA-N 309.460 3.593 0 40 DHAB O=C(CSc1ncccn1)n1c2c(c3ccccc31)CCCC2 386471 ULNRQCPFBXJJQQ-UHFFFAOYSA-N 323.421 3.743 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1cccc(C(F)(F)F)c1 387132 OFAAQNBZBCYXBJ-GHMZBOCLSA-N 321.364 3.657 0 40 DHAB Cc1ccc2nc3sc(C(=O)N4CCCC4)c(N)c3cc2c1 412668 SMQULRLYRZZYGU-UHFFFAOYSA-N 311.410 3.576 0 40 DHAB O=CN[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl 524419 IJIKGWHRAOHEIP-QMMMGPOBSA-N 319.040 3.874 0 40 DHAB CCCn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc21 530838 YLFHFXAPFUSFRM-UHFFFAOYSA-N 310.401 3.979 0 40 DHAB COc1cccc(-c2nnc3c4c(C)c(C)sc4ncn23)c1 1942487 HFDMHAAWLSYFJH-UHFFFAOYSA-N 310.382 3.631 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccccc1 2642335 QQYZYJONUDZVPA-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB COc1ccc2oc(C(=O)OCc3c(C)noc3C)c(C)c2c1 2662504 PZRKMBJSDTUITP-UHFFFAOYSA-N 315.325 3.712 0 40 DHAB O=C(O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 3356927 ZAKCTTNMDJMBQF-UHFFFAOYSA-N 312.756 3.950 0 40 DHAB CCN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 3395883 BYMXOVGZGJZOBB-UHFFFAOYSA-N 324.453 3.500 0 40 DHAB Cc1cc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)ccc1Cl 3865318 HWEKXNATKPHZJB-SOUVJXGZSA-N 311.853 3.651 0 40 DHAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 4915110 URQRJBGVAYQYGC-OAHLLOKOSA-N 317.816 3.564 0 40 DHAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cccs3)n2)c1 4998326 JHTVLYFHDFWSDQ-LLVKDONJSA-N 313.382 3.598 0 40 DHAB COC(=O)c1ccc(NC(=O)Nc2cn(C)c3ccccc23)cc1 5265815 DVQIGFXUOXLDPE-UHFFFAOYSA-N 323.352 3.609 0 40 DHAB CCOCCN(CC)[C@H](c1ccccc1)[C@H](O)c1ccccc1 5699560 AYGOMERSBRPVHA-WOJBJXKFSA-N 313.441 3.820 0 40 DHAB CC1CCN(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 7446883 DDVDJWNVLHISBM-INIZCTEOSA-N 310.441 3.749 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 7703202 BPTGDYIHCHWTNX-CYBMUJFWSA-N 307.459 3.811 0 40 DHAB Cc1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1 7757117 ZXUKADFGAUSURK-UHFFFAOYSA-N 312.388 3.737 0 40 DHAB Cc1ccc(NCc2cn(C)c(=O)c3cnccc23)cc1Cl 8861656 XECUXVHPVHNWAT-UHFFFAOYSA-N 313.788 3.507 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 10541872 MXYLCLUSTLTTJW-UHFFFAOYSA-N 301.773 3.942 0 40 DHAB CC(C)n1ncc2cc(C(=O)NCCC3=CCCCC3)cnc21 12884613 MFGYEVVCHBTFFP-UHFFFAOYSA-N 312.417 3.633 0 40 DHAB Cc1ccc(OCCC(=O)NCc2ccc(F)cc2)cc1C 12951084 LCINCFWMVFWUAU-UHFFFAOYSA-N 301.361 3.528 0 40 DHAB COc1ccc(Nc2nc3cc(C(=O)O)sc3s2)cc1 14153031 RLTSYCJGPIQNOT-UHFFFAOYSA-N 306.368 3.808 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccccc1 14400502 PCNSIUJOINYLQR-ZDUSSCGKSA-N 319.401 3.502 0 40 DHAB O=C(NCc1ccc(F)cc1)N1CCC[C@H]1c1cccs1 15837722 PFADBNOJYQNLGQ-AWEZNQCLSA-N 304.390 3.934 0 40 DHAB C[C@H]1CCCC[C@@H]1NC1=NN=C(c2ccc(F)cc2)CS1 24841555 MSAYIKIXUIWWJA-FZMZJTMJSA-N 305.422 3.801 0 40 DHAB c1ccc(-c2nnc3n2N=C2c4ccccc4CC[C@@H]2S3)cc1 27526219 USOMICCWZDYOMK-HNNXBMFYSA-N 318.405 3.618 0 40 DHAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccco1 27989322 QEZLFSBTYMWHTC-AWEZNQCLSA-N 318.442 3.688 0 40 DHAB CCn1c(C)c(C)c2cc(C(=O)NCc3ccccn3)ccc21 28226192 PHGRRNTTZSNAOP-UHFFFAOYSA-N 307.397 3.603 0 40 DHAB CCCCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 28539602 BPVKUBZOYPAHTB-UHFFFAOYSA-N 308.834 3.922 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CCCc3ccccc32)c1C 30895204 QSOMDWDUVQBHCE-MRXNPFEDSA-N 324.424 3.684 0 40 DHAB CCCCCC[C@@H](C)NC(=O)c1cc(C)nc2onc(C)c12 31101297 GTTFVCNFRSPJLP-LLVKDONJSA-N 303.406 3.928 0 40 DHAB Brc1ccccc1OCc1noc(-c2ccco2)n1 31671322 ACCQVZNHFNUKTL-UHFFFAOYSA-N 321.130 3.671 0 40 DHAB CC(C)(C)c1nc2ccc(NC(=O)/C=C/c3cccnc3)cc2[nH]1 32466018 NGZPHYQUYKMQDT-RMKNXTFCSA-N 320.396 3.907 0 40 DHAB CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(C)=O)c1C 32722431 UNAHWRAYTDXCRN-UHFFFAOYSA-N 304.415 3.558 0 40 DHAB Cc1cc(NC(=O)c2ccccc2F)n(Cc2ccccc2)n1 32754169 FNVJHZBOXCADLM-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB COc1ccc2cc(CN(C)C(=O)c3ccc(C)nc3)ccc2c1 32895891 GCVPVQGVHXBTSI-UHFFFAOYSA-N 320.392 3.824 0 40 DHAB COc1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 40162420 UIZCNMIQJMIHNN-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB COc1ccc(C)cc1NCc1nc(-c2ccsc2)no1 40473264 WDADSKPUSSBESR-UHFFFAOYSA-N 301.371 3.727 0 40 DHAB Cc1ccc(C(=O)N(C)CC(C)C)cc1NC(=O)c1ccccc1 47447079 XJFZIBCFNUMDDI-UHFFFAOYSA-N 324.424 3.975 0 40 DHAB C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1cccs1 48150000 VSEBISMHKSORFF-LBPRGKRZSA-N 312.398 3.817 0 40 DHAB O=C(CCN(Cc1ccc(Cl)cc1)C1CC1)N1CCCCC1 53128629 CWKYXOKNEFZYHV-UHFFFAOYSA-N 320.864 3.707 0 40 DHAB Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 69430799 BIKUZZZALIKOHA-JOZWUWCOSA-N 323.392 3.657 0 40 DHAB Cc1ccc(-c2nc(CCNC(=O)C[C@@H](C)C3CC3)co2)cc1 69452032 YROHTVBOLGOPAR-CQSZACIVSA-N 312.413 3.745 0 40 DHAB CC(C)[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccccc1 69452384 WFRJKMGVNJKSMB-IEBWSBKVSA-N 323.392 3.802 0 40 DHAB O=C(OC1CCCCCC1)c1ccc(OCC(F)(F)F)nc1 70036440 XASQEOHEKSGEKE-UHFFFAOYSA-N 317.307 3.902 0 40 DHAB Cc1ccc(C(=O)C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cc1 74584228 PUILBQHKBYZHLK-LBPRGKRZSA-N 315.335 3.613 0 40 DHAB COc1ccc(-c2ccc([C@@H](C)C(=O)O)cc2F)cc1OC 77291931 LOLOPVAXJOQCPF-SNVBAGLBSA-N 304.317 3.698 0 40 DHAB in-vitro C[C@@H]1C[C@H](NC(=O)C[C@H]2C=CCC2)CCN1Cc1ccccc1 79559264 QHNCYMBLWJRIRF-ZIFCJYIRSA-N 312.457 3.512 0 40 DHAB O=C(c1c[nH]c2ncccc12)N1CC=C(c2cccs2)CC1 84445790 UBCQVNJIMDYMCH-UHFFFAOYSA-N 309.394 3.554 0 40 DHAB COc1cc2nccc(Oc3ccc(N)c(C)c3)c2cc1OC 90529015 BXVUWRXAXZVIOJ-UHFFFAOYSA-N 310.353 3.935 0 40 DHAB Cc1cc(-c2noc([C@@H]3CCCN3)n2)cc(C)c1OCC(C)C 95095427 LRJQWKGDDKZHSQ-HNNXBMFYSA-N 315.417 3.813 0 40 DHAB C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NC1CCOCC1 95400279 NIUDRHVNRPHDCP-OAHLLOKOSA-N 316.445 3.738 0 40 DHAB CC(C)(C)[C@@H](NCc1cccc2c1OCCO2)C(F)(F)F 95405709 IMGGTAARJKJECJ-CYBMUJFWSA-N 303.324 3.524 0 40 DHAB CC(C)(C)Oc1ccc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 95633965 XRZXKSQWHZDNIE-CABCVRRESA-N 304.386 3.938 0 40 DHAB CC(C)(C)OC(=O)N1c2ccc(Cl)cc2[C@H]2CNCC[C@H]21 95635408 IZHFFHWVHONBQY-TZMCWYRMSA-N 308.809 3.541 0 40 DHAB O=C(NCC(F)(F)F)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 95961422 CMGCQWDLLPNWBM-ZJUUUORDSA-N 312.118 3.775 0 40 DHAB Cc1ccc(NC(=O)/C=C/c2ccoc2)cc1N1CCCCC1=O 96103532 FVSFOSJHPUFMIS-SOFGYWHQSA-N 324.380 3.757 0 40 DHAB CCSc1cc(Cl)ccc1C(=O)Nc1c[nH]c(=O)c(C)c1 97141703 NNWPVUGIVZUVTO-UHFFFAOYSA-N 322.817 3.701 0 40 DHAB COc1ccc2c(c1)CCC1=C2C[C@@H]2C(=O)[C@]1(C)CC[C@@]2(C)O 104045869 CZAMTIBNIPMBOZ-MISYRCLQSA-N 312.409 3.535 0 40 DHAB Cc1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)on1 191943661 NBYRQPWEASARGP-UHFFFAOYSA-N 312.291 3.578 0 40 DHAB O=C(Nc1cccc(F)c1)c1cnc(-c2ccc(F)cc2)nc1 222612394 GPMDGXVJGUJYGT-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB Cc1cccc(C(=O)Nc2nnc(SCC(C)C)s2)c1 223534093 DRWKWBJZHKJJCT-UHFFFAOYSA-N 307.444 3.847 0 40 DHAB CCCOc1ncc(NC(=O)[C@](C)(CC)OCCC)cc1C 225904002 RBXXPVYIWZKTAB-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CN(C[C@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 248333339 JXMIXOSOCIMCNA-MJKGWSOKSA-N 323.521 3.843 0 40 DHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(F)cc2)S1 260766389 JVBNWAJNBJPUEQ-HFBAOOFYSA-N 313.401 3.810 0 40 DHAB OCC[C@H](NCc1ncccc1Cl)c1ccc(Cl)cc1 528505607 RUHOAUCILRZCDC-AWEZNQCLSA-N 311.212 3.602 0 40 DHAB Cc1ccccc1OCC(=O)NCc1ccc(-c2ccoc2)o1 585147887 GBBUCWHAYIUBGF-UHFFFAOYSA-N 311.337 3.543 0 40 DHAB CC(=O)N1CCC[C@H]1c1ccnc(-c2nc(C)c(C)s2)c1 585179623 MJEMARCSVMIWEB-HNNXBMFYSA-N 301.415 3.505 0 40 DHAB COC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCC2 134086 IEUVDLUPIBCJOJ-UHFFFAOYSA-N 315.394 3.584 0 40 DHAB O=C(NC1c2ccccc2CCc2ccccc21)C(F)(F)F 1571339 JXNTVEQIFHGUSF-UHFFFAOYSA-N 305.299 3.553 0 40 DHAB COC(=O)/C=C/c1cn(C(=O)OC(C)(C)C)c2ccccc12 2518313 VSMVLFKTUMKNRW-MDZDMXLPSA-N 301.342 3.611 0 40 DHAB COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)CCC2 3494331 KNOBNSINZLJMQZ-UHFFFAOYSA-N 311.381 3.510 0 40 DHAB Cc1cccc(NC(=S)Nn2c(O)c(C)sc2=S)c1 4189853 ADTYTRBKKJZYLA-UHFFFAOYSA-N 311.457 3.542 0 40 DHAB Cc1ccc(Cn2cc(-c3ccc(C)cc3)c(C(=O)O)n2)cc1 4205589 LVCJDHCBJANFFQ-UHFFFAOYSA-N 306.365 3.913 0 40 DHAB CCCCN(C)C(=O)C1CCN(CCCc2ccccc2)CC1 4355368 SXPMGQUMFCZBSU-UHFFFAOYSA-N 316.489 3.590 0 40 DHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1 6178634 XKFQWEKDASGWQQ-LBPRGKRZSA-N 324.409 3.591 0 40 DHAB Cc1nnc(SCc2cc(=O)oc3c(C)c(C)ccc23)s1 6206894 CQJRDJXDYMCBGT-UHFFFAOYSA-N 318.423 3.862 0 40 DHAB CC[C@@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1 6745885 JGGVVSAATUGEFJ-GOSISDBHSA-N 310.397 3.867 0 40 DHAB O=C(NCc1cccc(Cl)c1)c1ccccc1OC(F)F 6784786 LGAJYWVQLCJRHD-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB COc1ccc2c(c1)CCc1cc(C(=O)N3CCCC3)sc1-2 7038834 NRUDKLJENAGOQU-UHFFFAOYSA-N 313.422 3.758 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(F)c2)cc1 7513507 QEAAQORTMVSOIC-GFCCVEGCSA-N 315.344 3.572 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)c1 7698994 QKGZARJRNBWHFL-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Br)cc2)c(C)n1C 8051694 VCQAFLCJWBLIOX-UHFFFAOYSA-N 307.191 3.657 0 40 DHAB CCc1cccc(CC)c1NC(=O)CC1(C(=O)O)CCCC1 8745647 NSJGJKVEBFFVDB-UHFFFAOYSA-N 303.402 3.785 0 40 DHAB Cc1cccc(-c2noc([C@H]3CC(=O)N(c4ccccc4)C3)n2)c1 9317911 MRPMSQPZFGBFLQ-HNNXBMFYSA-N 319.364 3.566 0 40 DHAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1CCCO1 10100586 FNHAXFJTQIAUCZ-QMMMGPOBSA-N 314.819 3.643 0 40 DHAB CSc1ccc(CC(=O)Nc2ncnc3sccc23)cc1 10252421 NEQSHPFSEWGZDS-UHFFFAOYSA-N 315.423 3.594 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)c2ccccc2F)C1 12141957 JQLOZHHTOOOIFC-LBPRGKRZSA-N 307.365 3.656 0 40 DHAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F 12553172 VMZOXZLEGDCPIP-BZNIZROVSA-N 316.351 3.569 0 40 DHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 15328945 YALWISLBNRWJPP-CYBMUJFWSA-N 315.344 3.743 0 40 DHAB COc1cc(C(=O)N[C@H](C)C2CC2)cc(Cl)c1OC(C)C 18207408 YBXWOXKKCHBWRN-SNVBAGLBSA-N 311.809 3.664 0 40 DHAB Fc1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1 19738589 PIVDPBZLACTZSC-SFHVURJKSA-N 301.361 3.996 0 40 DHAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(C(C)C)cc3)n2)cc1 19910562 VWZCQRGYMQTUPI-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccccc1 20045175 CWQYRUDHXITVEJ-KBXCAEBGSA-N 313.397 3.730 0 40 DHAB O=c1c(C(F)(F)F)cccn1Cc1nc2ccccc2s1 22830103 YCACHTPQXACIRY-UHFFFAOYSA-N 310.300 3.525 0 40 DHAB Cc1ccoc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 24694165 WUTPQPJZNRDJHL-ZDUSSCGKSA-N 310.353 3.749 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 27386487 COZSPYMXQJWMKU-AWEZNQCLSA-N 324.355 3.987 0 40 DHAB Cc1nccn1-c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 28245150 BJYXWUFILFJLLD-OALUTQOASA-N 317.392 3.923 0 40 DHAB Cc1ccc(-c2nc(CN3C[C@H](C)O[C@@H](C)C3)co2)c(C)c1 29922416 WLOOTNVQZMCAGS-GJZGRUSLSA-N 300.402 3.568 0 40 DHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1CCCCC1 31264484 JDJDRSWWKUUYCR-KRWDZBQOSA-N 303.402 3.763 0 40 DHAB COc1cc2c(cc1/C=C1/C(=O)Nc3ccccc31)O[C@@H](C)C2 32674136 CPCVFMIVKWTNJT-UXYFDLPDSA-N 307.349 3.511 0 40 DHAB Cc1cccc(C(=O)N2CCCN(CC3CCCCC3)CC2)c1 40061075 FJJKFXLUABJUIT-UHFFFAOYSA-N 314.473 3.723 0 40 DHAB CCOc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1 40088761 ONLJYRGIROIOGQ-UHFFFAOYSA-N 307.353 3.523 0 40 DHAB CCCCc1nc(C)c(C(=O)N(C)Cc2c(C)noc2C)s1 43037886 KAKZXMKIYXDVGQ-UHFFFAOYSA-N 321.446 3.671 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1C 44080806 ZOPXXJCTHNPBBT-CQSZACIVSA-N 319.518 3.712 0 40 DHAB CC(=O)c1cccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 45957022 RLXIAWGTESLYDP-GUYCJALGSA-N 318.417 3.606 0 40 DHAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@@H](C)C2)c1 48258469 QAYSBZQXAUFRHD-GFCCVEGCSA-N 303.406 3.607 0 40 DHAB CC(C)=CC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 58419472 BBRWGFMGGLJYMQ-LJQANCHMSA-N 319.408 3.745 0 40 DHAB O=C(O)c1cccc(Nc2ccnc3c(F)ccc(F)c23)c1 64874885 NSYZHNFDFSSWNR-UHFFFAOYSA-N 300.264 3.955 0 40 DHAB CC(C)c1nccc(N2CCC(C(=O)c3ccccc3)CC2)n1 65562509 HYXIFUZCTZEOBF-UHFFFAOYSA-N 309.413 3.699 0 40 DHAB Cc1cc(F)cc(CNC2CCN(C(=O)OC(C)(C)C)CC2)c1 67802668 MTZJSTPNUDTHQD-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CC(F)(F)F)C(C)C 69738779 VJUXGXVJOXTEGT-STQMWFEESA-N 315.335 3.598 0 40 DHAB Cc1ccc(Cn2c(CCCN)nc3cc(Cl)ccc32)cc1 71665950 TWNSVYNCALXYNF-UHFFFAOYSA-N 313.832 3.938 0 40 DHAB CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@@H]2c2ccc[nH]2)n1 71841371 FUSCEUXGOJSULS-CYBMUJFWSA-N 318.808 3.559 0 40 DHAB CC(C)Oc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72211906 GLHOEOAXDMFFTH-KRWDZBQOSA-N 310.397 3.846 0 40 DHAB CC(C)(C)CN1CCC[C@H]1c1cccc(Nc2ncccn2)n1 72375162 AIYSPHKGZCPQLT-HNNXBMFYSA-N 311.433 3.798 0 40 DHAB CCc1noc([C@@H](C)SCCOc2ccccc2OC)n1 76325464 DXSWBGJNLOMVEN-LLVKDONJSA-N 308.403 3.514 0 40 DHAB C[C@@H](S[C@H](C)c1ccc(OC(F)F)cc1)C(=O)N(C)C 76330159 MFAOHZNPSVPXCP-NXEZZACHSA-N 303.374 3.559 0 40 DHAB OCc1ccc(CN[C@H]2CCCOc3c2ccc2ccccc32)o1 84056006 VRPKWUSLEYZSAY-IBGZPJMESA-N 323.392 3.929 0 40 DHAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1ccccc1Cl 89948711 QFVBRDJUFGIEAY-DXCKQFNASA-N 308.853 3.638 0 40 DHAB FC(F)(F)COCCNCc1cc(Cl)cc2cccnc12 95418505 SGXYAVPMCWCVEQ-UHFFFAOYSA-N 318.726 3.557 0 40 DHAB COCc1ccccc1CN[C@H](C)CCc1n[nH]c2ccccc12 96008164 PVFMGGWLXPAHOC-OAHLLOKOSA-N 323.440 3.820 0 40 DHAB Cc1c(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cnn1C 96476370 QYNDBVLHQMIRPO-IBGZPJMESA-N 309.388 3.747 0 40 DHAB CCc1cc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)nc(C)n1 97002827 SNEIKQGOBJIVBN-MNOVXSKESA-N 315.339 3.655 0 40 DHAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc2cc[nH]c12 97162358 GPGVGXCAAGSBKM-GFCCVEGCSA-N 324.428 3.919 0 40 DHAB Cc1noc(C)c1C(=O)N1CCS[C@H](c2cccs2)CC1 219507836 SMWRVHQIURHREZ-ZDUSSCGKSA-N 322.455 3.673 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC[C@@H](C)C1 222654830 QEZVPWKWXKCDKR-CABCVRRESA-N 301.430 3.591 0 40 DHAB CC(C)c1ccccc1OCCNC(=O)CCc1ccccc1 223748644 ICOMNVMOZKDYAC-UHFFFAOYSA-N 311.425 3.938 0 40 DHAB COc1cccc(NC(=O)NCCOc2cccc(C)c2C)c1 223974439 NAXPFDYLFKJUEH-UHFFFAOYSA-N 314.385 3.513 0 40 DHAB CCOc1ccc(CCCNC(=O)Cc2ccccc2F)cc1 225448520 OKDULAWKNFIVNI-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccccc1F 225793204 BDHWQTYEJNKUAT-UHFFFAOYSA-N 321.355 3.767 0 40 DHAB Cc1ccc(C)c(NC(=O)c2cc3cc(C)ccc3oc2=O)c1 226036348 UEVPPHKATJVICW-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCc1ccco1 257173231 HEVRFDXVARMXLR-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB FC(F)(F)Oc1ccccc1-n1cnc(Br)c1 952959253 INQBTPXGSDGBHC-UHFFFAOYSA-N 307.069 3.533 0 40 DHAB Cc1ccccc1-c1nnc(-c2cc3ccccc3oc2=O)o1 1345800943 JSMODEBHIBXCAN-UHFFFAOYSA-N 304.305 3.818 0 40 DHAB Cc1cc(CNc2cc(Cl)ccn2)cc(N2CCCC2)n1 1515767203 DOBIDKHYAJKCBQ-UHFFFAOYSA-N 302.809 3.651 0 40 DHAB CC(C)(C)OC(=O)NC1(c2ccc3c(c2)OC(F)(F)O3)CC1 1857794378 TYJGVOGIYQMQOC-UHFFFAOYSA-N 313.300 3.522 0 40 DHAB CSc1ncccc1C(=O)NCC(C)(C)c1ccsc1 1888909545 VBVKAAFBLVPDRF-UHFFFAOYSA-N 306.456 3.573 0 40 DHAB CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 178426 XVRZLBTWBVLHLX-SFQUDFHCSA-N 307.349 3.738 0 40 DHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](c3ccc(N(C)C)cc3)[C@@H]1[C@@H]2C 519301 ARHZHRUTGKCDRK-GOKSDJKOSA-N 315.457 3.651 0 40 DHAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccccc1 535229 PIPYNQJHIRBWAI-UHFFFAOYSA-N 309.756 3.580 0 40 DHAB Cc1cc2n(n1)[C@H](c1ccc(C(=O)O)cc1)Nc1ccccc1-2 817654 UJUBXJFGLIKHAW-QGZVFWFLSA-N 305.337 3.529 0 40 DHAB O=C(NCc1ccc2c(c1)OCO2)C1(c2ccccc2)CCCC1 1361992 ZTSCIAIBMJMFFG-UHFFFAOYSA-N 323.392 3.544 0 40 DHAB Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(Cl)cc1 3485800 ANNDSRAUTMAGSX-UHFFFAOYSA-N 323.849 3.843 0 40 DHAB COc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)cc1 4201726 KUHRRHWPKXJFGM-UHFFFAOYSA-N 306.317 3.880 0 40 DHAB COc1ccc(CC(=O)N[C@@H](C)CCCC(C)C)cc1OC 4690606 UDBNZDDWXWDRCZ-AWEZNQCLSA-N 307.434 3.577 0 40 DHAB C[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCCC1 5077469 SXYLANBCYKGVEY-GFCCVEGCSA-N 323.820 3.582 0 40 DHAB Cc1cccc(C(=O)OCc2cc3cc(C)ccc3[nH]c2=O)c1 5176443 CGIQPVZNYDRTNP-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB CC(=O)Nc1ccccc1OCc1cc(=O)oc2cc(C)ccc12 6085549 YYMGVHDFVGSXKW-UHFFFAOYSA-N 323.348 3.639 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccnc1Cl 6254094 FQWFLEYRJCPTNM-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB Cc1cc(OCC(=O)Nc2ccccc2Cc2ccccc2)no1 6785369 RDJANKGDEBXMFW-UHFFFAOYSA-N 322.364 3.591 0 40 DHAB Cc1cc(C)c2nc(NC(=O)COc3ccccc3)sc2c1 6903387 FJQGDWZBANROQO-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB CCCCn1nnnc1NCc1ccc(-c2ccccc2)cc1 7262174 WCHWXTVULDYBNQ-UHFFFAOYSA-N 307.401 3.752 0 40 DHAB Cn1cccc1[C@@H]1CCCN1CC(=O)c1c[nH]c2ccccc12 8313242 RBRALQZINDIWHR-SFHVURJKSA-N 307.397 3.526 0 40 DHAB CC(C)CC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137428 JXDLUHJCILVPLL-UHFFFAOYSA-N 302.418 3.606 0 40 DHAB CCC(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 9140827 NNGRYZUQUAFQBR-UHFFFAOYSA-N 310.728 3.582 0 40 DHAB Cc1ccccc1CN1CCC(C(=O)NCc2ccccc2)CC1 11469465 DLZFLNIIJBHHIQ-UHFFFAOYSA-N 322.452 3.523 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCc2sccc2C1 12215282 CQUPHDCEDQQFQZ-UHFFFAOYSA-N 324.405 3.910 0 40 DHAB O=C(N[C@H]1CCSc2ccccc21)c1ccc2[nH]cnc2c1 12506970 RJPFFCPDINTWER-ZDUSSCGKSA-N 309.394 3.530 0 40 DHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1 12857779 QUHFQHGGGGWXBQ-UHFFFAOYSA-N 306.369 3.536 0 40 DHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)CCCC2 12881741 JJCYYUXNPPZHBM-UHFFFAOYSA-N 323.392 3.566 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCCO2)c1ccccc1 13097982 ZWPDXVUECQKPRV-SLZMIMFISA-N 323.392 3.739 0 40 DHAB COc1cc(NC(=O)c2ccccc2C)c(Cl)cc1C(=O)O 13171891 SKKUSVVRTSBOCE-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccccc1OC 15471986 VDSUWMUSXDFPFT-FNDVETGQSA-N 311.381 3.594 0 40 DHAB COc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1OC 16227459 HAMXFEQULJNLEW-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB Cc1ccoc1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 16416890 HQVLAADRTGWACE-UHFFFAOYSA-N 322.744 3.760 0 40 DHAB CC(=O)N1c2ccc(-c3cn4ccc(C)cc4n3)cc2C[C@H]1C 19238207 PXEHRFQAYAXFJO-CYBMUJFWSA-N 305.381 3.607 0 40 DHAB COc1ccc2[nH]cc(CCNc3nc4ccccc4[nH]3)c2c1 22126819 YAMDKYZMOUTCLB-UHFFFAOYSA-N 306.369 3.707 0 40 DHAB O=C(NCc1cc(-c2ccco2)on1)c1cc2ccccc2o1 22768635 IEVMVTXNZQHEHV-UHFFFAOYSA-N 308.293 3.611 0 40 DHAB CN(C)[C@H](CNC(=O)Nc1ccc(Cl)cc1)c1cccs1 23105465 OJQOZRRRPMTZOK-CYBMUJFWSA-N 323.849 3.826 0 40 DHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc2c(s1)CCC2 24887024 RBZHOEYMXHBAQR-UHFFFAOYSA-N 309.394 3.879 0 40 DHAB CCC(CC)C(=O)NC[C@H](c1cccs1)N1CCCCC1 27664370 VJHLGSWRRHEANZ-OAHLLOKOSA-N 308.491 3.828 0 40 DHAB Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 27875225 VMPPYHNPCBHDHB-UHFFFAOYSA-N 302.377 3.788 0 40 DHAB COCc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 29145236 CRHTYWQXBFQECY-UHFFFAOYSA-N 319.788 3.812 0 40 DHAB O=C(O)/C=C\C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 31716726 QYHWXDNYHNFLSL-KTKRTIGZSA-N 317.728 3.712 0 40 DHAB Cc1ccc(O)c(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 31802836 UZIGGDJSKYKAKD-UHFFFAOYSA-N 319.364 3.718 0 40 DHAB Cc1ccc(CNC(=O)CCCc2nc3ccccc3o2)cc1 32036014 QUINCEIXLIRDGU-UHFFFAOYSA-N 308.381 3.775 0 40 DHAB CC(C)CNC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12 32102725 UUVFKURIZHEUFH-UHFFFAOYSA-N 323.371 3.822 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN(C(C)C)C(C)C 35052954 FVWVHROWEIKEIH-AKHDSKFASA-N 313.526 3.944 0 40 DHAB CCCCNC(=O)C1CCN([C@@H](C)c2ccc(F)cc2)CC1 42133809 ROJIQUGKKUDKIM-AWEZNQCLSA-N 306.425 3.515 0 40 DHAB O=C(c1cccc(C2OCCO2)c1)c1ccc(Cl)cc1F 43212581 XUQPDSCNOJWSAU-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB COCc1nc2cc(NC(=O)CCCc3ccccc3)ccc2[nH]1 44890508 MYSHTOVGVFSWGU-UHFFFAOYSA-N 323.396 3.671 0 40 DHAB Cc1ccc(C[C@H]2CCCN(C(=O)c3csc(C)n3)C2)cc1 50767735 FZRSVXXNSZLPLD-MRXNPFEDSA-N 314.454 3.855 0 40 DHAB CCn1nc(C)c2ncnc(N[C@H](C)c3ccc(C)cc3C)c21 57280202 XBKNVAXWEDVFOI-CYBMUJFWSA-N 309.417 3.945 0 40 DHAB C[C@@H](C(=O)N1CCCCCC1)N(C)Cc1ccccc1Cl 57991542 NHDCFAZGTFCQTP-AWEZNQCLSA-N 308.853 3.563 0 40 DHAB COc1ccccc1S[C@H](C(=O)NC1CC1)c1ccccc1 58249505 DSOYHWZUDZUHJP-KRWDZBQOSA-N 313.422 3.807 0 40 DHAB CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 59499101 OFHHBMCPSCLDMH-UHFFFAOYSA-N 320.458 3.648 0 40 DHAB Cc1noc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)[nH]2)n1 65537954 DIFACXBJAISUJD-SNVBAGLBSA-N 320.352 3.504 0 40 DHAB Cc1ccc(-c2nc(C(=O)N3CCc4cnccc43)cs2)cc1 72288284 INHUBETXGKDZFP-UHFFFAOYSA-N 321.405 3.716 0 40 DHAB Cc1nn(C)c(C)c1CN[C@@H]1CCSc2c(F)cccc21 73052024 ASFIILPESQKESB-OAHLLOKOSA-N 305.422 3.503 0 40 DHAB CCOc1cc(CNC(=O)c2ccc(C)cc2C)ccc1OC 74629063 WDDICSGWVCQPOH-UHFFFAOYSA-N 313.397 3.641 0 40 DHAB CC(C)c1cccc(NC(=O)N[C@H]2CCC[C@H]2n2ccnc2)c1 75092585 ISZWEHJFPYQBLI-DLBZAZTESA-N 312.417 3.922 0 40 DHAB O=C(N[C@H]1COc2ccccc21)c1occc1-c1ccccc1 75126224 NCNNROCSMLKDTC-INIZCTEOSA-N 305.333 3.810 0 40 DHAB Cc1cccnc1[C@H](NC(=O)Cc1noc2ccccc12)C(C)C 79358159 NXFJRDNCWQFFHL-GOSISDBHSA-N 323.396 3.587 0 40 DHAB CSc1nnc(CN(C2CC2)[C@@H]2CCc3ccccc32)s1 89496661 IBLSBRWYZOBDBE-CQSZACIVSA-N 317.483 3.912 0 40 DHAB C[C@@H](CC(=O)Nc1cn(C)nc1C(F)(F)F)c1ccccc1 89894554 UDVFSFVMPQBFQG-JTQLQIEISA-N 311.307 3.571 0 40 DHAB C[C@H](NCCCc1nc2c(s1)CCCC2)c1cncc(F)c1 95421700 SMSYHPZVZHSWII-LBPRGKRZSA-N 319.449 3.839 0 40 DHAB C[C@@H](CNC[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 95443046 PLXUJAKOKODMLM-MAUKXSAKSA-N 316.420 3.949 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccnc1Cl 95963911 IYZVQAQJOOQIBW-AWEZNQCLSA-N 304.777 3.840 0 40 DHAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(F)cc1Cl 95977885 SKVSTXYDDCMUNE-CQSZACIVSA-N 321.783 3.796 0 40 DHAB CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1C 96105188 ZGMFFEZONIXYIC-OAHLLOKOSA-N 320.339 3.782 0 40 DHAB C[C@@H](NC(=O)N[C@@H]1CCCc2sccc21)c1cccnc1 97161938 MZSCKRXXMQLMEF-BXUZGUMPSA-N 301.415 3.581 0 40 DHAB Fc1ccc2c(c1)CCC[C@H]2NCc1cccc(-c2nc[nH]n2)c1 97230749 MBHLHNKJWUQDCY-GOSISDBHSA-N 322.387 3.778 0 40 DHAB Cc1ccc2[nH]nc(C(=O)Nc3ccccc3N3CCCC3)c2c1 97256230 NVGHUYCMMUHNAQ-UHFFFAOYSA-N 320.396 3.724 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 100552945 IVDPCBAMVHDKTB-STEAMIEHSA-N 315.372 3.665 0 40 DHAB C[C@H](CC(F)(F)F)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 158013382 OWVVFDKUZXHOPO-MNOVXSKESA-N 322.321 3.722 0 40 DHAB Clc1ccccc1C1=C[C@@H](c2ccccc2)N2NC=NC2=N1 199414060 KRIVRLMLZKFSAT-INIZCTEOSA-N 308.772 3.640 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccccc2F)cc1 223094169 BTVXGMQBSSBDON-OAHLLOKOSA-N 315.388 3.650 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 224296043 VSSGGLGEASWYKF-HNNXBMFYSA-N 313.397 3.856 0 40 DHAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)c(C)c1C 224529391 GBNJFSFWSSATML-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB O=C(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1 225548849 LAJJSPFYVPLVCN-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12 225884578 PYXCBWQERCXRFQ-SFHVURJKSA-N 316.401 3.777 0 40 DHAB CC[n+]1cc(Br)cc(-c2nc3cc(C)ccc3[nH]2)c1 226774324 BWRCMPRRUWDIKW-UHFFFAOYSA-N 317.210 3.608 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)n1 257335083 YIPWBSABEDKCJA-SFHVURJKSA-N 319.408 3.778 0 40 DHAB Clc1ccc(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1888854240 NMCZQNQVXNMRJP-HOTGVXAUSA-N 301.821 3.905 0 40 DHAB c1ncc2c(c1COCC1CC1)CCN(CC1CCCCC1)C2 2055782132 PUSHYQRMZWIHHL-UHFFFAOYSA-N 314.473 3.947 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)C(=S)NCc1ccccc1 31464 FFIJISXGLNYXOX-UHFFFAOYSA-N 322.792 3.535 0 40 DHAB CC(=O)O[C@@H]1c2ccc(cc2)CCc2ccc(cc2)[C@H]1OC(C)=O 409598 AIRPCEQRTRZRJP-WOJBJXKFSA-N 324.376 3.694 0 40 DHAB CC(C)c1nc(SCC(=O)O)c2c3c(sc2n1)CCCC3 414383 SGERVGVSPAMKDR-UHFFFAOYSA-N 322.455 3.870 0 40 DHAB CCOC(=O)[C@@H](CC)Sc1cc(C)nc2ccc(OC)cc12 420949 FMWVPFGUKCGOAF-OAHLLOKOSA-N 319.426 3.986 0 40 DHAB Ic1ccc(N2Cc3ccccc3C2)cc1 559664 SUQFDBNYTSCUBW-UHFFFAOYSA-N 321.161 3.811 0 40 DHAB CCN(CC)c1c(-c2ccccc2)nnc2c3ccccc3nn12 1568137 DMBNUXGIDGQCNQ-UHFFFAOYSA-N 317.396 3.791 0 40 DHAB COc1ccc(N[C@H]2OC(=O)c3ccccc32)c2ncccc12 2342870 DRZKGKBMHXVUTL-KRWDZBQOSA-N 306.321 3.525 0 40 DHAB Cc1cc(C)c(NC(=O)COc2nncc3ccccc23)c(C)c1 2633522 WZVGQLZUIOAMNS-UHFFFAOYSA-N 321.380 3.573 0 40 DHAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 3141731 NITHMFXIRVGRJD-GDNBJRDFSA-N 311.362 3.590 0 40 DHAB O=C(Nc1nccs1)c1ccccc1C(=O)c1ccccc1 3210652 HYDCZNMPUNJQFT-UHFFFAOYSA-N 308.362 3.626 0 40 DHAB Cc1noc(C)c1COC(=O)c1cc(F)c(F)cc1Cl 3317770 UAOAJLLDYDQIMU-UHFFFAOYSA-N 301.676 3.580 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 3411444 YOMRIARSGAKQCS-LLVKDONJSA-N 321.323 3.788 0 40 DHAB CCOc1ccc(NC(=O)CSc2nc(C)cs2)cc1 3413988 LNMDTNGLRGAGQI-UHFFFAOYSA-N 308.428 3.581 0 40 DHAB CCCC[C@]1(c2ccccc2)NC(=S)N(c2ccccc2)N1 4198872 CLFIQYANMBHRKN-SFHVURJKSA-N 311.454 3.929 0 40 DHAB CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)nc1 4931115 WZZFVKVGRIZQTR-UHFFFAOYSA-N 315.348 3.602 0 40 DHAB O=C1c2ccccc2C(=O)N1Cc1cc2ccccc2nc1Cl 5262401 PSIYFXHTSBXDQU-UHFFFAOYSA-N 322.751 3.684 0 40 DHAB CCCOc1ccccc1OCC(=O)Nc1ccccc1OC 5475864 CBODNEBKCROVQM-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB O=C(COC(=O)C1CC1)c1c(-c2ccccc2)[nH]c2ccccc12 6057687 JJZPVXFWRLAYOR-UHFFFAOYSA-N 319.360 3.971 0 40 DHAB Cc1sc2nc([C@@H](C)N3CCCCCC3)[nH]c(=O)c2c1C 6648720 CDAVTIAJYSFXPZ-LLVKDONJSA-N 305.447 3.538 0 40 DHAB CC(=O)NCCCCCc1nc2ccccc2n1CCC(C)C 6743439 BGVAFNYRQJGFQV-UHFFFAOYSA-N 315.461 3.931 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(F)cc2C)cc1OC 6981366 QBCRARMJFRPGPR-UHFFFAOYSA-N 317.360 3.723 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(F)cc1 7070555 FMMMTRXBPQSHMS-SFHVURJKSA-N 324.355 3.728 0 40 DHAB CC(=O)Nc1ccccc1OCCOc1ccccc1Cl 7895513 FPHXEODECJTDAJ-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB Cc1ccc(C)c(NC(=O)c2cccc(CN3CCCC3=O)c2)c1 7910574 DUGYVYCEKWRPEK-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB Cc1cnc(C(=O)Nc2ccccc2Oc2ccccc2)cn1 8388685 WYPJVLJJGNYYTM-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB O=c1[nH]c(CSCc2cccc(F)c2)nc2ccsc12 9253214 XCMLNGZJGLPCQJ-UHFFFAOYSA-N 306.387 3.557 0 40 DHAB Cc1ccc(CNC(=O)CCC(=O)c2ccc(C)s2)cc1 9690282 NRIDLLYFJGKNHL-UHFFFAOYSA-N 301.411 3.644 0 40 DHAB CCCOc1ccc2cc(S(=O)(=O)N[C@H](C)CC)ccc2c1 11614072 JTPCRUFRCVOTSP-CYBMUJFWSA-N 321.442 3.705 0 40 DHAB CCCCOc1c(CC)c(C)nc2cc(C3CCOCC3)nn12 12233585 AMELUAFTFIULSC-UHFFFAOYSA-N 317.433 3.673 0 40 DHAB CN(CCNC(=O)Cc1cccc2ccccc12)c1ccccc1 12543528 GLWZVAHTPKWHAM-UHFFFAOYSA-N 318.420 3.635 0 40 DHAB Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 12560420 ISKJCGUXCYCXIP-QGZVFWFLSA-N 320.396 3.640 0 40 DHAB C[C@H](NC(=O)NCCc1ccccc1)c1ccc(Cl)cc1 12740219 CCCDBTFYNYKDBF-ZDUSSCGKSA-N 302.805 3.943 0 40 DHAB Cc1cc(N[C@H](c2ccccc2)c2cccs2)n2ncnc2n1 12895775 PAKDVFFMNXVNDX-MRXNPFEDSA-N 321.409 3.696 0 40 DHAB Cc1ccccc1N1C(=O)/C(=C/c2sccc2C)NC1=S 13547038 KICJAUYJTWQWOR-XFXZXTDPSA-N 314.435 3.627 0 40 DHAB O=C(Cc1cccs1)Nc1ccccc1OC(F)(F)F 14109037 XUVJMLZQKIRIMT-UHFFFAOYSA-N 301.289 3.828 0 40 DHAB CC(C)n1cnn(CN2CCc3sccc3[C@@H]2C)c1=S 14215015 JIELMZQLQIIPKO-NSHDSACASA-N 308.476 3.633 0 40 DHAB Cc1cccc(-n2ncc3c(N(C)c4ccccc4)ncnc32)c1 17135606 BBBBOJVSKNLCDQ-UHFFFAOYSA-N 315.380 3.892 0 40 DHAB CCOc1ccccc1[C@@H]1SCC(=O)N1c1ncc(C)s1 19927016 IONWVNMKOUGAQJ-AWEZNQCLSA-N 320.439 3.629 0 40 DHAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 21325710 BUOZDPZARVPESJ-LBPRGKRZSA-N 309.818 3.688 0 40 DHAB COc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1C 27664364 SUSFKJUQOLUWMC-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCn1cc(-c2nnc(SCc3cccc(Cl)c3)o2)cn1 28579164 XHSSMAPPSUBGEI-UHFFFAOYSA-N 320.805 3.899 0 40 DHAB Cn1cc(C(=O)Nc2ccc(SC3CCCC3)cc2)cn1 30183013 AZGRRKLLKIHMIF-UHFFFAOYSA-N 301.415 3.707 0 40 DHAB Cc1ccc(C(=O)CSc2nc(CC3CCCC3)n[nH]2)s1 31798231 PHETVPXIFNDDNI-UHFFFAOYSA-N 321.471 3.882 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nncc2ccccc12 32754622 RADZIIATEMDKMQ-CHWSQXEVSA-N 315.442 3.511 0 40 DHAB CC(C)Oc1cccc([C@H](C)NC(=O)CCc2cccnc2)c1 40107195 CTLNPOQBASYBRD-HNNXBMFYSA-N 312.413 3.679 0 40 DHAB O=C(Cc1ccc2ccccc2c1)NCCSC(F)(F)F 40119026 XSBPTMUARCFQFO-UHFFFAOYSA-N 313.344 3.752 0 40 DHAB Cc1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1Cl 44254426 XSNJJLVVHJEIAO-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccn1 44946653 WKXNAGXCQANVPL-IBGZPJMESA-N 320.392 3.709 0 40 DHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 48430003 JIAFPIOURQWDPG-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB Cc1ccccc1NC(=O)NCCc1ccn(-c2ccccc2)n1 65606845 LRDUBTXDHYTSJF-UHFFFAOYSA-N 320.396 3.545 0 40 DHAB CC(C)Oc1ccc(CNC(=O)C2=C(Cl)CCCC2)cn1 71800128 OERAFYOQHAJGMA-UHFFFAOYSA-N 308.809 3.552 0 40 DHAB Cc1cc(C[S@](=O)Cc2ccc(Cl)c(Cl)c2)no1 71846895 NXJUCWJZEXYEQO-SFHVURJKSA-N 304.198 3.739 0 40 DHAB Cc1cc(C)c(NC(=O)c2cccc(N3CCOC3=O)c2)c(C)c1 71918729 WXQFPUMGTBFRND-UHFFFAOYSA-N 324.380 3.821 0 40 DHAB CC(=O)N1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C 72213050 XLRJBRHCZGUNJN-KRWDZBQOSA-N 303.450 3.778 0 40 DHAB CCOc1cc(C(=O)Nc2ncc(C)s2)cc2occc12 72240144 JSXDEJGRHZTSLL-UHFFFAOYSA-N 302.355 3.849 0 40 DHAB CN(Cc1ccc(Cl)s1)c1nccc(C(F)(F)F)n1 72260244 STSAHFCAFZHWHT-UHFFFAOYSA-N 307.728 3.847 0 40 DHAB Cc1cccc2c1C(=O)N[C@@H](c1ccc(-c3cccnc3)o1)N2 72302523 OZEPRYLWDBXERU-KRWDZBQOSA-N 305.337 3.504 0 40 DHAB CC(C)C1CCN(C(=O)N[C@H](c2nccs2)C2CC2)CC1 74709889 RZZVAIDULYJARM-AWEZNQCLSA-N 307.463 3.672 0 40 DHAB CC(C)CO[C@@H](C)c1noc(CN2CCCC(C)(C)CC2)n1 74991520 FAUVOFRLIJQBAC-AWEZNQCLSA-N 309.454 3.815 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CCC[C@@H]1COC2 85471107 UCKSYPURHXTCLD-PHIMTYICSA-N 315.200 3.779 0 40 DHAB Cc1ccc(CNCc2scnc2C)c(OCC2CC2)c1 88745609 UWEXKVRBVGGHPJ-UHFFFAOYSA-N 302.443 3.839 0 40 DHAB Cc1ccc(CNCc2sccc2C)c(O[C@@H]2CCOC2)c1 89623607 NLGFYQFYNMKFQN-MRXNPFEDSA-N 317.454 3.822 0 40 DHAB CC(C)N(C(=O)c1cnns1)c1cccc(C(F)(F)F)c1 89869676 MBTDVBKOMUSPOU-UHFFFAOYSA-N 315.320 3.612 0 40 DHAB C[C@H](NC[C@@H](O)c1ccco1)c1ccc(SC(F)F)cc1 95419736 NJFKIUJRPMXIFZ-GXFFZTMASA-N 313.369 3.979 0 40 DHAB C[C@@H]1CCCN(Cc2ccc(NCc3ccc(CO)o3)cc2)C1 95428544 DPNDLNSTRLTXAO-OAHLLOKOSA-N 314.429 3.616 0 40 DHAB Cc1nc(CNC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)oc1C 95434388 STCXTPSINCTZNT-MEDUHNTESA-N 313.401 3.729 0 40 DHAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](CC(C)C)S1 95475605 WGEVVVWEPNHSJC-LBPRGKRZSA-N 309.435 3.824 0 40 DHAB Cc1ccc(O)c(CN2CCC(c3nc4ccccc4o3)CC2)n1 95982291 UNCZRBFKSLMYGV-UHFFFAOYSA-N 323.396 3.616 0 40 DHAB CC1(C(=O)NCC2(c3cccs3)CCCCC2)CCOCC1 96416585 MUSFKLOOAYSXFM-UHFFFAOYSA-N 321.486 3.883 0 40 DHAB C[C@H](Nc1cccc(C(=O)N2CCCC2)c1)c1nccs1 97045835 FPDJLADXSXHOAF-LBPRGKRZSA-N 301.415 3.552 0 40 DHAB CC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 98210693 DLHZEHVGTRFRJK-VIFPVBQESA-N 302.170 3.693 0 40 DHAB Cc1ccc2oc(=O)c(/C=C(\O)c3sc(C)nc3C)nc2c1 101490894 UIBLFRHVYFRGFW-QPEQYQDCSA-N 314.366 3.626 0 40 DHAB C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N[C@H](C)c1ccccc1 140548743 YKBYYVMDYLZHQR-ZMSDIMECSA-N 318.461 3.983 0 40 DHAB CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1 216886459 NMZHAHPLOVSDCH-KPKJPENVSA-N 300.329 3.981 0 40 DHAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 224607687 BOMWMWSFGVYGCQ-ZDUSSCGKSA-N 301.361 3.563 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 224611408 UMMZCZWRKVPVMW-HNNXBMFYSA-N 313.397 3.856 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)/C=C/c1ccc2c(c1)OCO2 337678 VQJSBPIETPCIEX-PKNBQFBNSA-N 323.392 3.866 0 40 DHAB CSc1nc(Cl)c2c3c(sc2n1)COC(C)(C)C3 495469 WPZPUSKFFOLASN-UHFFFAOYSA-N 300.836 3.918 0 40 DHAB COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1OC 819068 PEAUAVFUIMWJSU-UHFFFAOYSA-N 323.396 3.716 0 40 DHAB Cc1nc2sccn2c1C(=O)Nc1cccc(Cl)c1C 1398130 MXVVGJROEBAIQV-UHFFFAOYSA-N 305.790 3.918 0 40 DHAB CCCCOc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 1787835 NKNRDPPIZGPPKL-UHFFFAOYSA-N 313.353 3.816 0 40 DHAB Cc1ccc(NC(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 2532781 MJARQNDPLULXNT-UHFFFAOYSA-N 323.440 3.966 0 40 DHAB CC(C)c1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 2649830 CIIGDULSVYGBRQ-HUUCEWRRSA-N 317.429 3.756 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)c1csc2c1CCCC2 2770716 GTXFCHICJLQOPX-UHFFFAOYSA-N 305.428 3.608 0 40 DHAB COc1ccc(-c2csc(N3CCCCC3)n2)cc1OC 3253949 PFCNBKLYTWLZSG-UHFFFAOYSA-N 304.415 3.818 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1nc2ccc(F)cc2s1 3577846 UFFVVSGNMAXCEE-UHFFFAOYSA-N 304.321 3.756 0 40 DHAB CCOc1ccc(OCCC(=O)Nc2cccc(OC)c2)cc1 3607714 YIXLHVYCQNLENJ-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)cc2C)n1 4511585 ASWHHYZAMIVIJC-UHFFFAOYSA-N 321.833 3.786 0 40 DHAB Cn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 5687090 ANKXEPGUWATASL-MRVPVSSYSA-N 308.472 3.809 0 40 DHAB Cc1cc(O)ccc1NC(=O)c1ccccc1Br 5697839 RHWPLBYYHMAWQP-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB Cc1cccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 7889931 KIYDEEMHYDTHTO-CQSZACIVSA-N 309.365 3.997 0 40 DHAB Cc1cc(C)c(C(=O)COC(=O)CCc2ccccc2)cc1C 7980648 ZWFSORZXDYQGOF-UHFFFAOYSA-N 310.393 3.971 0 40 DHAB CC(C)[C@H](Sc1ccccn1)C(=O)NCc1ccccc1 8720943 MMWVCRPRPPAAHQ-INIZCTEOSA-N 300.427 3.515 0 40 DHAB c1ccc2c(c1)sc1nnc(SCCc3ccncc3)n12 8780303 JCNCHTKMZNCZHQ-UHFFFAOYSA-N 312.423 3.674 0 40 DHAB CCn1/c(=N\C(=O)c2ccccc2C)sc2cc(F)ccc21 12180894 XCWYZKUURFRRTQ-HTXNQAPBSA-N 314.385 3.911 0 40 DHAB Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc32)cc1 12548922 OYLYDFPQIKNOKS-MRXNPFEDSA-N 324.405 3.742 0 40 DHAB CC1CCN(Cn2ncn(-c3cccc(Cl)c3)c2=S)CC1 13070817 FGDQDZBUPOEEJS-UHFFFAOYSA-N 322.865 3.746 0 40 DHAB c1ccc(-c2cnc(N3CCCC3)nc2-c2cccs2)nc1 13268020 LUTRWNQQYCTQAQ-UHFFFAOYSA-N 308.410 3.867 0 40 DHAB CCc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19359439 KMYQSMSZAJOVQP-QHAWAJNXSA-N 310.485 3.579 0 40 DHAB O=C(O)c1ccc2oc(-c3ccccc3Br)nc2c1 20158770 PXHLFQPTZGFZCP-UHFFFAOYSA-N 318.126 3.956 0 40 DHAB COc1ccccc1-c1nc(Cl)nn1-c1ccc(F)cc1 22125841 ZVZKXCPORZHFFZ-UHFFFAOYSA-N 303.724 3.735 0 40 DHAB COc1ccc(CN(C)Cc2cccc3cccnc23)c(OC)c1 22515303 VDFGFWDTJXQQMY-UHFFFAOYSA-N 322.408 3.884 0 40 DHAB Cn1cccc1C(=O)COc1ccc(C(=O)c2ccccc2)cc1 23418499 LAGZXOQBTCGNJX-UHFFFAOYSA-N 319.360 3.518 0 40 DHAB O=C(c1ccc(F)cc1Cl)N1CCO[C@H](c2ccccc2)C1 23896785 SFKJRAHIAQPWBT-INIZCTEOSA-N 319.763 3.693 0 40 DHAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)CCc1ccccc1 27759921 ZQFROAJNAJEGRM-ZDUSSCGKSA-N 300.402 3.858 0 40 DHAB CC(C)(C)c1nc(CSc2ncnc3ccccc23)no1 28009247 LNXMWVVPINOCAK-UHFFFAOYSA-N 300.387 3.603 0 40 DHAB CC(C)CCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 30752825 ABSYBECBACGWIL-MRXNPFEDSA-N 302.462 3.694 0 40 DHAB CC(C)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 32074520 YLVUOQKYAOKNKJ-UHFFFAOYSA-N 322.408 3.745 0 40 DHAB O=C1CCCN1c1cccc(OCCCOc2ccccc2)c1 32765107 LNZZNCSPXHYUPL-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1c(C(=O)NCc2cccs2)oc2c1C(=O)CC(C)(C)C2 40114778 MZTNKGBWGYRMJS-UHFFFAOYSA-N 317.410 3.735 0 40 DHAB CCCC(=O)Nc1cccc(CNCc2ccccc2F)c1 47752916 OIIBSMNVRCUPFR-UHFFFAOYSA-N 300.377 3.854 0 40 DHAB CC(C)n1ncc2cc(NC(=O)N[C@H](C)c3ccccc3)cnc21 48064091 SXAHEZWWDUAFPU-CYBMUJFWSA-N 323.400 3.895 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)Nc2ccccc2F)cc1 56324733 SSHYYEWZBPBWHX-UHFFFAOYSA-N 301.321 3.818 0 40 DHAB Cn1cc(C(=O)Nc2cccc(Cl)c2SC(F)F)cn1 69626138 XTUDZWDZZBHONZ-UHFFFAOYSA-N 317.748 3.641 0 40 DHAB Ic1ccc(OCCc2ccccc2)cc1 71136765 AVKVNUGAJHOWKC-UHFFFAOYSA-N 324.161 3.913 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1cn[nH]c1-c1ccccc1 72328816 FDZUMPQOXDBWQD-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB CC(=O)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72357573 MYUBFHYDUHKMDC-UHFFFAOYSA-N 312.388 3.537 0 40 DHAB Cc1csc([C@H](NC(=O)N(C)Cc2ccccc2)C2CC2)n1 74666773 VXQJTAIBHSCFNJ-OAHLLOKOSA-N 315.442 3.744 0 40 DHAB CCc1nc([C@H]2CCCN2Cc2cc(C)nc3ccccc23)no1 76018021 NQATXBBFVVDAOY-QGZVFWFLSA-N 322.412 3.826 0 40 DHAB CC(C)[C@@H](CCO)Nc1ccnc2cc(Br)ccc12 78903472 GTQMVQNQVYQQCK-CYBMUJFWSA-N 323.234 3.816 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)N1CC[C@H](c2ccccc2)C1 84525516 MIMQGASIEZXKID-SFHVURJKSA-N 320.436 3.917 0 40 DHAB Cc1noc(C(C)C)c1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 95956157 GMKUJBOXASNPAL-UONOGXRCSA-N 302.349 3.531 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)CCn2ncc3ccc(Cl)cc32)C1 96181976 KGUDWFVXJPRXHF-CHWSQXEVSA-N 319.836 3.584 0 40 DHAB O=C1C[C@H](c2cccc(C(F)(F)F)c2)c2ccc(O)cc2N1 96335751 XSWHIGUGLJQECZ-CYBMUJFWSA-N 307.271 3.885 0 40 DHAB C[S@](=O)Cc1cc(NCc2ccc(F)cc2)ccc1Cl 97084925 GSXZXXCKIRSFME-HXUWFJFHSA-N 311.809 3.970 0 40 DHAB O=C(C1[C@H]2CCCC[C@H]12)N1CCC(Oc2cccc(F)c2)CC1 100731000 CXAULPJWYKPJTL-IRXDYDNUSA-N 317.404 3.632 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 222437888 JYMVMKPGYLWTLT-DCRFOKDXSA-N 313.397 3.662 0 40 DHAB CCc1ccc(N(CC)S(=O)(=O)c2ccc(F)cc2)cc1 224911525 FRCUATJZHGSCQF-UHFFFAOYSA-N 307.390 3.603 0 40 DHAB CC(=O)NCc1cccc([C@@H]2CCCN2C2CCCCCC2)n1 257213913 CJRBSINFCOAXBW-IBGZPJMESA-N 315.461 3.577 0 40 DHAB c1coc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)c1 585095039 AUZUDCFPFMRGPG-KRWDZBQOSA-N 314.429 3.530 0 40 DHAB O=C(CSc1nnc2sc3ccccc3n12)c1ccco1 142900 JURPOFUGWOBVIO-UHFFFAOYSA-N 315.379 3.512 0 40 DHAB O=S(=O)(Nc1ccncc1)c1ccc(Cl)c2ccccc12 234760 HHLRMKANSLPWNI-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB CC(=O)O[C@H]1Cc2ccccc2[C@@H](OC(C)=O)Cc2ccccc21 1709195 LUAJVZPATZBQGQ-PMACEKPBSA-N 324.376 3.694 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C)cc1C 3017324 UERMBOKQXOCJHP-HNNXBMFYSA-N 304.434 3.575 0 40 DHAB COc1ccc(C(C)=O)cc1COc1nc(C)nc2ccccc12 3304238 MHUHWCSMSOGZSE-UHFFFAOYSA-N 322.364 3.728 0 40 DHAB C[C@H]1C[C@H](C)CN(CC(=O)c2ccccc2Br)C1 3356251 GUZIGOXEYHEGPJ-RYUDHWBXSA-N 310.235 3.610 0 40 DHAB O=C(NC(=O)c1ccc(-c2ccccc2)o1)Nc1ccccc1 3848458 MRKXDIZXZMEFFT-UHFFFAOYSA-N 306.321 3.909 0 40 DHAB biogenic O=C(C1CCCC1)N1CCN=C1SCc1cccc(Cl)c1 4120596 WEBDTBLCTLFJFO-UHFFFAOYSA-N 322.861 3.962 0 40 DHAB CCCSc1nnc(NC(=O)CCc2ccc(C)o2)s1 5016038 QJJZVQINKSJDKO-UHFFFAOYSA-N 311.432 3.513 0 40 DHAB C[C@@]12CCCC[C@]13NC(=O)c1ccccc1CN3c1ccccc12 5394048 GSSNBIWIBKOZMJ-LEWJYISDSA-N 318.420 3.978 0 40 DHAB Cc1ccc(OCCOC(=O)Cc2c[nH]c3ccccc23)cc1 5398715 COIWRBYRLIPKRD-UHFFFAOYSA-N 309.365 3.641 0 40 DHAB CC(C)CCn1c(CCCNC(=O)C(C)C)nc2ccccc21 5545952 RVKKTCFAAQQQEX-UHFFFAOYSA-N 315.461 3.787 0 40 DHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccccc1F 6628335 ZUHXJZAQAQRPET-LBPRGKRZSA-N 321.779 3.871 0 40 DHAB CC[C@@H]1CCCCN1Cn1nc(-c2ccccc2)[nH]c1=S 6996533 VCVRRUKVRDGVID-CQSZACIVSA-N 302.447 3.830 0 40 DHAB Cc1ccnn1-c1ccc(C(=O)OCc2cccc(F)c2)cc1 7455561 BDSQLTZPYUTXTG-UHFFFAOYSA-N 310.328 3.677 0 40 DHAB COc1cc(NC(=O)CSCc2cccs2)cc(OC)c1 7474596 QAJGUUXPRMDZCE-UHFFFAOYSA-N 323.439 3.637 0 40 DHAB CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1O 7814159 HSQCRJBBKVNMML-UHFFFAOYSA-N 309.724 3.836 0 40 DHAB CCOc1ccc(Cl)cc1CNCc1ccc(C(=O)O)cc1 8324584 BAUXZCFDEPAAAY-UHFFFAOYSA-N 319.788 3.727 0 40 DHAB CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 8431196 ZRNAHGCQVXSGJH-UHFFFAOYSA-N 322.452 3.557 0 40 DHAB Cc1noc(C)c1CCC(=O)Nc1nc2ccc(F)cc2s1 8774514 FGXBHDIWYAGZPB-UHFFFAOYSA-N 319.361 3.612 0 40 DHAB Cc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1 8915717 FTFTWWPLBYZEPF-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB Cc1nnc2sc([C@H](C)c3ccc(CC(C)C)cc3)nn12 8992490 UZRATLXUWSGNPC-LLVKDONJSA-N 300.431 3.845 0 40 DHAB O=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 9232089 UETDESIKEIOISP-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)cc1F)C2 11373209 IULMEPXSERSSQG-HNNXBMFYSA-N 305.349 3.929 0 40 DHAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 12781863 XCAWNIFHVRALET-MRXNPFEDSA-N 308.381 3.875 0 40 DHAB CC(C)(C)c1ccc(Cn2nc(-c3cccs3)oc2=O)cc1 12798455 WWGYINJSVFPGRO-UHFFFAOYSA-N 314.410 3.911 0 40 DHAB C[C@@H]1CCCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl 13135394 SZXXXOBSIGXURT-DGCLKSJQSA-N 318.244 3.608 0 40 DHAB CC(C)CCc1c(O)nc(SCc2ccc(F)cc2)nc1O 13453849 GHJFCQZHAPTAIF-UHFFFAOYSA-N 322.405 3.908 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1 13552414 BWMGEUMRYJZGHT-DHZHZOJOSA-N 310.378 3.957 0 40 DHAB biogenic Cc1ccc(C(=O)NCCc2c[nH]c(-c3ccc(C)cc3)n2)cc1 13608595 IRSOCWJDXYFULV-UHFFFAOYSA-N 319.408 3.666 0 40 DHAB CCCCN1C[C@H](c2nc3ccccc3n2CCCC)CC1=O 14095094 NMXWXTUOUMPJEM-OAHLLOKOSA-N 313.445 3.952 0 40 DHAB COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC(C)C 15797160 IVVRSBQBAHTFRP-UKRRQHHQSA-N 305.418 3.791 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 15841219 SBLOJHSPTHJOFD-UHFFFAOYSA-N 313.382 3.732 0 40 DHAB Cc1ccc(NC(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1Cl 20395390 VEMSXEKCTWWZBK-UHFFFAOYSA-N 317.732 3.727 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 20520844 UUGCYZKYTCNLMB-UHFFFAOYSA-N 319.202 3.846 0 40 DHAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(F)c1 22237495 HJRJNURVRDXPRJ-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC(C)CC[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 22513010 UIKZTZVROYNJOA-ZDUSSCGKSA-N 302.418 3.590 0 40 DHAB COc1ccccc1CN[C@H](C)c1ccc(-n2ccnc2)cc1 25356248 DWVQHVLTVGYLAX-OAHLLOKOSA-N 307.397 3.732 0 40 DHAB O=C(Nc1cccc2cnccc12)[C@@H]1Cc2cc(Cl)ccc2O1 32768038 ZADKSKJJUBYLRW-KRWDZBQOSA-N 324.767 3.830 0 40 DHAB COc1c(C)cnc(CSc2nc3ccc(O)cc3[nH]2)c1C 35643828 QAPIOBRWGYAHRI-UHFFFAOYSA-N 315.398 3.581 0 40 DHAB in-vitro Cc1ccccc1CN(C)C(=O)N[C@@H](C)CCc1ccco1 40067897 VKVBERHFFMJAGE-HNNXBMFYSA-N 300.402 3.751 0 40 DHAB COc1ccc(F)cc1C(=O)N1CCCc2c(F)cc(F)cc21 40090411 DTFJWWSRAZAWPQ-UHFFFAOYSA-N 321.298 3.706 0 40 DHAB COCc1ccccc1CNC(=O)Nc1ccc(F)c(Cl)c1 40097676 QJBYXIXOYAOUSJ-UHFFFAOYSA-N 322.767 3.947 0 40 DHAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccc(F)cc2)[nH]n1 40478348 GOYMCGNHXNTYEU-UHFFFAOYSA-N 317.270 3.746 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]2CCCC[C@@H]21 40489603 BMGHSUVUWJEGGK-PBHICJAKSA-N 311.429 3.677 0 40 DHAB CCCCCCNC(=O)Nc1cccc(NC(=O)C(C)C)c1 44084608 IQGNDIBHMPBMJG-UHFFFAOYSA-N 305.422 3.983 0 40 DHAB CC(C)Oc1ccc(CNC(=O)CCc2ccc(F)cc2)cc1 45430993 NNVJUQWTADOODZ-UHFFFAOYSA-N 315.388 3.862 0 40 DHAB COC(=O)c1sc(NCCc2ccccc2C)nc1Cl 48892963 GMVSXXKJIKYMCY-UHFFFAOYSA-N 310.806 3.546 0 40 DHAB CC(C)c1ccc([C@@H](C)NCc2nc3ccccc3c(=O)[nH]2)cc1 49605837 PERCNWRHCWKPRC-CQSZACIVSA-N 321.424 3.897 0 40 DHAB CC[C@H]1CCCCN1C(=O)c1ccc(-c2cccs2)[nH]c1=O 63887684 OHDDESLYAFHHCU-LBPRGKRZSA-N 316.426 3.508 0 40 DHAB COc1cccnc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 71796427 NOTOBLPIEBBYOA-LBPRGKRZSA-N 324.302 3.765 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)c2cnc(C(C)(C)C)s2)no1 71825479 FZPCAROUGOQGRH-LBPRGKRZSA-N 319.430 3.714 0 40 DHAB Cc1nc(C(=O)Nc2ccc3c(c2)ncn3C)c(C(C)C)s1 72404376 HMASVNIVBOFHCO-UHFFFAOYSA-N 314.414 3.714 0 40 DHAB Cn1ccnc1CSc1ncc(C(F)(F)F)cc1Cl 74392664 OANQLVRAVGXVIX-UHFFFAOYSA-N 307.728 3.780 0 40 DHAB CN(CCC1CCCCC1)C(=O)c1c(O)cnc2ccccc12 75104872 RKLNTNKAVUDBMU-UHFFFAOYSA-N 312.413 3.983 0 40 DHAB O=C(c1ccccc1F)N(c1cccc(F)c1)C1CCOCC1 75144270 JZAWGHFHNWMUPI-UHFFFAOYSA-N 317.335 3.791 0 40 DHAB Cc1ccccc1[C@@H](NC(=O)Cc1c(C)noc1Cl)C1CC1 79002064 FEJCAEPGWGBVLY-INIZCTEOSA-N 318.804 3.755 0 40 DHAB O=C(c1ccn(-c2ccccc2)n1)N(CC1CC1)c1ccccc1 84243262 KDKICCIOULSCCP-UHFFFAOYSA-N 317.392 3.929 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(Br)n1 95450541 KWPVKIDQMGFRBE-UHFFFAOYSA-N 317.186 3.585 0 40 DHAB O=C(Cc1ccc2ccccc2c1)Nc1c(F)cccc1CO 95451292 OJGFTYRNAUVABH-UHFFFAOYSA-N 309.340 3.652 0 40 DHAB CC(C)N(C(=O)NCCCc1nccs1)c1ccc(F)cc1 95964334 LBNWWGIZUYSZPO-UHFFFAOYSA-N 321.421 3.839 0 40 DHAB Cc1nc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)oc1C 95985846 SVEOUDOGLXPINF-DOTOQJQBSA-N 300.402 3.549 0 40 DHAB C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)c1nccs1 96014023 UNQUMIDBDYTGSP-JTQLQIEISA-N 306.456 3.617 0 40 DHAB CCc1nnc(CNc2cc(Cl)c(Cl)cc2OC)o1 190441965 NDUVNIGNTLPWCO-UHFFFAOYSA-N 302.161 3.560 0 40 DHAB O=C(/C=C/c1cccs1)NC[C@H]1CCCN1c1ccccc1 211115894 CFZYBXFCWDIJIK-SIFUEBAJSA-N 312.438 3.547 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)c1ccccc1 225458633 XCMSRFIRZRPLGT-HNNXBMFYSA-N 309.409 3.996 0 40 DHAB CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)c1cccnc1C 333429106 JJDQSPUSFYZJPP-AWEZNQCLSA-N 312.417 3.533 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1Cl)[C@H]1C=C[C@H]2CC1 408619131 GEUVDFWVCSZRAL-VDUILEQBSA-N 322.191 3.695 0 40 DHAB CCC(CC)n1ncc(C(=O)Nc2cc(O)c(F)cc2F)c1C 585087947 CZSKZAFQEYHOIN-UHFFFAOYSA-N 323.343 3.789 0 40 DHAB COC(=O)c1sccc1NC(=O)Nc1ccc(Cl)cc1 712174 JDHCXSLIZATEQJ-UHFFFAOYSA-N 310.762 3.832 0 40 DHAB Oc1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)cc1 2236503 MXVPANBPZWPQGO-MRVPVSSYSA-N 317.197 3.728 0 40 DHAB CCC(CC)c1nnc(NC(=O)Cc2cccc(OC)c2)s1 2651534 KQDTUMIPRAXFER-UHFFFAOYSA-N 319.430 3.632 0 40 DHAB Cc1c(C)n(C[C@@H](O)CN[C@@H]2CCCC[C@@H]2C)c2ccccc12 4177782 GDDCYANZONIPGV-UCLAIMLFSA-N 314.473 3.787 0 40 DHAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)O 4189279 CESAUNXAIJCFII-SECBINFHSA-N 306.387 3.599 0 40 DHAB Clc1ccc(Cc2nn3c(-c4ccco4)nnc3s2)cc1 4511800 LTNSOHNRVUKANU-UHFFFAOYSA-N 316.773 3.690 0 40 DHAB CN(C)c1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1 4597393 SRWQSYKRARIJIA-UHFFFAOYSA-N 321.428 3.817 0 40 DHAB CC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1C 6342692 JJVXVDVDTWLROK-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB COc1cccc(-c2nc(CSc3nccn3C)cs2)c1 6370310 FXZOGNOPEPUSCL-UHFFFAOYSA-N 317.439 3.845 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 6375202 VSCWBTKUSYVDAU-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB CC1CCN(c2nc(N3CCc4ccccc43)ncc2F)CC1 6671764 TYAFPEWTRLEBDW-UHFFFAOYSA-N 312.392 3.546 0 40 DHAB Cc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 6811306 OCIUOTFZMIZNJY-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2C)c(Cl)c1 6915242 LMTCNBKORKLJFS-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1 7505033 ADIWJLSEHSZUBI-UHFFFAOYSA-N 308.425 3.915 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)o1 7738641 QITUYWPDOJTEPJ-ZDUSSCGKSA-N 309.369 3.573 0 40 DHAB COc1ccc(NC(=O)CNc2ccc(C)cc2Cl)cc1 7972376 XMLFBZWXAFELDW-UHFFFAOYSA-N 304.777 3.708 0 40 DHAB CCc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 8086009 UJBDIFFSJINQKW-UHFFFAOYSA-N 308.425 3.820 0 40 DHAB CC[C@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C)on1 9049757 SNGRNBBZGAPWCA-LBPRGKRZSA-N 311.744 3.605 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)s1 9114141 VWFYPXUYRJNGHF-UHFFFAOYSA-N 324.789 3.621 0 40 DHAB CC1CCN(CCCNC(=O)/C=C/c2ccccc2Cl)CC1 10540235 POHMMXNSNBOVRH-BQYQJAHWSA-N 320.864 3.591 0 40 DHAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccccc3)o2)cc1 12265856 ARLXJGMVLHOCOB-UHFFFAOYSA-N 320.392 3.899 0 40 DHAB C[C@H](O)c1ccc(NC(=O)CSc2ccc(F)cc2F)cc1 12869141 OLGSZFZKZIZOEI-JTQLQIEISA-N 323.364 3.749 0 40 DHAB C[C@@](O)(c1cccc(OCc2ccccc2)c1)c1ccccn1 12875131 YIAMFHATNLIDAO-HXUWFJFHSA-N 305.377 3.916 0 40 DHAB Cc1csc(NC(=O)c2ccc(F)cc2Br)n1 13011497 VBHVNLXDMGDLGQ-UHFFFAOYSA-N 315.167 3.605 0 40 DHAB Cc1nc(-c2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2)co1 13012283 LZUDYCJLTHILMT-SFHVURJKSA-N 320.348 3.592 0 40 DHAB Cc1ccc2cc(CNCCc3ccccc3F)c(=O)[nH]c2c1C 13566551 MOPONKSFGMCCNS-UHFFFAOYSA-N 324.399 3.616 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 13596262 VVNJPKGURMZZKG-LBPRGKRZSA-N 301.773 3.697 0 40 DHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccc(Cl)c1 14427414 CFCOWRAPZUEIFS-AWEZNQCLSA-N 301.729 3.580 0 40 DHAB Fc1cccc(Nc2nc([C@H]3CCCNC3)c3ccccn23)c1 19399763 IGERENJSGJNYLS-ZDUSSCGKSA-N 310.376 3.684 0 40 DHAB COc1ccc2nc(C)cc(Nc3ccc(C(=O)O)c(O)c3)c2c1 19702855 BJUCJAUTDTVKRF-UHFFFAOYSA-N 324.336 3.699 0 40 DHAB biogenic CCc1ccccc1O[C@H](C)C(=O)NCCSC(C)(C)C 20452957 RWMICPQIHNEXGW-CYBMUJFWSA-N 309.475 3.664 0 40 DHAB O[C@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 25055333 PZSFKLOHQYSULE-CQSZACIVSA-N 324.277 3.928 0 40 DHAB COCc1cccc(NC(=O)CSCc2ccccc2)c1 26031802 ZLXBMOKGWWWKIY-UHFFFAOYSA-N 301.411 3.705 0 40 DHAB O=C(CSc1ccc(Br)cc1)Nc1ccccn1 27652822 SXBAOUZGQRSKKP-UHFFFAOYSA-N 323.215 3.575 0 40 DHAB CN(C)c1ncccc1C(=O)Nc1ccc(Cl)c(Cl)c1 31663444 KYLSRAVILNBUBJ-UHFFFAOYSA-N 310.184 3.707 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@H](C)C[C@@H](C)C1 31864585 FXNMFAFMEOPEFJ-VXGBXAGGSA-N 315.442 3.632 0 40 DHAB Cc1ccc(NC(=O)CC[C@@H]2CCCO2)c(Br)c1 31874582 LTQUURLIFLMURY-NSHDSACASA-N 312.207 3.655 0 40 DHAB O=C(N[C@H]1CCSc2ccccc21)c1cc(C2CC2)on1 32339000 OOKNPHHDVCBTTD-LBPRGKRZSA-N 300.383 3.519 0 40 DHAB O=S(=O)(c1cccc2ccccc12)N1CCc2ccccc21 33638179 LIXNIJPZKOSMOX-UHFFFAOYSA-N 309.390 3.591 0 40 DHAB Cc1ccc(N2C(=O)C[C@H]([C@H](C)c3ccccc3)C2=O)cc1C 35142061 DYOCAVFNXZPCON-CRAIPNDOSA-N 307.393 3.987 0 40 DHAB COC(=O)c1cccc([C@H]2CCCN2C(=O)OC(C)(C)C)c1C 39953699 ROSRTGNXCCHPIF-OAHLLOKOSA-N 319.401 3.854 0 40 DHAB O=C(NCCSC1CCCC1)c1cc(Cl)ccc1F 40082606 DENWUTMQBKBDJF-UHFFFAOYSA-N 301.814 3.885 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(OC(F)F)c1 40121339 NULFHTPZHVYYJR-UHFFFAOYSA-N 316.307 3.951 0 40 DHAB CCc1cc(-c2ccc(C(N)=O)o2)cc(C)c1Br 45889491 RKXHKHAITAUALO-UHFFFAOYSA-N 308.175 3.679 0 40 DHAB Cc1cc(-c2ccc(/C=C/C(N)=O)o2)c(C)cc1Br 45957932 IROCMTBNMQOGKS-GQCTYLIASA-N 320.186 3.824 0 40 DHAB CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccsc1 46088739 HZBZDYJCDBNHFG-JKSUJKDBSA-N 306.475 3.676 0 40 DHAB Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCCCC1 59370395 OSURQAYQHHBWOE-UHFFFAOYSA-N 303.837 3.879 0 40 DHAB Cc1cnc(CN(C)[C@H](c2cccc(F)c2)c2ccccn2)o1 72606852 DRXHULBRZKRBGN-GOSISDBHSA-N 311.360 3.739 0 40 DHAB C[C@H](NC(=O)c1ccncc1F)c1ccc(-c2ccncc2)cc1 74296470 GHAMUGFFXALRHY-ZDUSSCGKSA-N 321.355 3.774 0 40 DHAB O=C(O)c1cccc2c(Br)cc(C(F)(F)F)nc12 75893648 VXAIXTBTBYTLPV-UHFFFAOYSA-N 320.064 3.714 0 40 DHAB Cn1c(CN2CCC[C@@H]2c2ccccc2)nnc1-c1ccccc1 89741445 RECDDNNXLZHMJT-GOSISDBHSA-N 318.424 3.819 0 40 DHAB Cc1nc(C)c(CN2CCC[C@H]2CC(=O)c2ccccc2)s1 95965482 TZDMXKVFAIGSFG-INIZCTEOSA-N 314.454 3.997 0 40 DHAB CCO[C@H](C)c1nc(Cn2ccnc2-c2ccccn2)cs1 96418341 LZINMLNLNDWINW-GFCCVEGCSA-N 314.414 3.547 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NC[C@@]2(C)CCCS2)c1 96466894 KUZSSBSWXJLMRW-MLGOLLRUSA-N 308.447 3.801 0 40 DHAB CN(Cc1cscn1)C(=O)C1(Cc2ccccc2)CCC1 97014248 TZFPMJBDXVZLHF-UHFFFAOYSA-N 300.427 3.515 0 40 DHAB CCN(CC)C1CCN([C@H](C)c2cc(OC)ccc2OC)CC1 97165400 NLJYPTUWSCUCJU-OAHLLOKOSA-N 320.477 3.571 0 40 DHAB COc1ccccc1Oc1ccc(N[C@H]2C[C@H](C)OC2=O)cc1 97212475 GMFHTNNRDDZBPX-WFASDCNBSA-N 313.353 3.603 0 40 DHAB CCCc1cc(O)n2nc(-c3sccc3-n3cccc3)cc2n1 100312189 KEXCHBJGWYFOCG-UHFFFAOYSA-N 324.409 3.907 0 40 DHAB Cc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2ccc(F)cc2)C(=O)N1 101085247 OWLCXSOAPCDYRZ-MAUKXSAKSA-N 312.344 3.904 0 40 DHAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2CC)C1=O 101275684 YVDASEFPMJRFFF-KRWDZBQOSA-N 322.408 3.555 0 40 DHAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)N1CCC[C@H]1c1ccc[nH]1 107499090 PRZKEXAFWQRIOW-JZXOWHBKSA-N 309.413 3.665 0 40 DHAB C[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 108981045 BODPWXQMNACCCN-YQYZPQCESA-N 324.424 3.825 0 40 DHAB C[C@](O)(CNC(=O)c1ccsc1)c1cc2ccccc2s1 217497906 JKNQTDMUPFEABM-INIZCTEOSA-N 317.435 3.600 0 40 DHAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)CC)ccc1Cl 225273028 UAUJHVZLIJXVNN-VIFPVBQESA-N 314.838 3.602 0 40 DHAB Cc1cncc(CSc2nnc(/C=C/c3ccc(C)o3)[nH]2)c1 225500059 XZWCEKVPCWHIDY-AATRIKPKSA-N 312.398 3.872 0 40 DHAB C[C@H](CCN1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 225584704 ZTLYKZYTKZAMLB-QZTJIDSGSA-N 317.473 3.698 0 40 DHAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cn1 225943322 JPAPFBIMPKMJQO-UHFFFAOYSA-N 318.804 3.951 0 40 DHAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCCC1 226330777 YNEIZOXIPJPAIB-UHFFFAOYSA-N 313.376 3.569 0 40 DHAB NC(=S)C[C@H](Cc1nc2ccccc2s1)C(F)(F)F 256052387 NDBWMWFFLJPXEE-SSDOTTSWSA-N 304.362 3.694 0 40 DHAB Cc1cn(C)c([C@@H]2CCN(Cc3ccc(F)cc3Cl)C2)n1 257230677 GDJUGRDRQCIECZ-CYBMUJFWSA-N 307.800 3.511 0 40 DHAB CCC[C@H]1O[C@H]2c3c(O)cccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257279278 OFWNHOKTTKCVHS-QQHRNGFRSA-N 320.385 3.510 0 40 DHAB Cc1nc(-c2cc(C[C@@H]3CCCN(C)C3)ccn2)sc1C 257279919 OISMIOXNLLWWAW-HNNXBMFYSA-N 301.459 3.706 0 40 DHAB CC(C)N1CC[C@H](Cc2ccc(-c3ccnn3C(C)C)nc2)C1 257341755 ZLVYMUJCSCONOQ-QGZVFWFLSA-N 312.461 3.799 0 40 DHAB C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(C(F)(F)F)nc1Cl 521394533 PJRCCRQYDWQHAA-GUBZILKMSA-N 322.758 3.829 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN(C2CCSCC2)C1 1888853630 XGRICHMZZSKXQW-UHFFFAOYSA-N 315.486 3.912 0 40 DHAB Cc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1Cl 352812 SPIIDRMCTHYLNE-SJORKVTESA-N 321.804 3.709 0 40 DHAB COc1cccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1 363207 GLXLFBWKXLHVMZ-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cccc(OC)c1OC 496547 RHRIAFIIGWYHKD-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB CC(=O)OCCCC[C@H]1CO[C@@H](c2ccc(C(C)C)cc2)O1 1681897 DDLOGTGEIHACKY-ZWKOTPCHSA-N 306.402 3.957 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1cc2c(s1)CCCC2 3461890 CTADXMCCOCPHBS-UHFFFAOYSA-N 301.367 3.608 0 40 DHAB CCCCOc1ccc(CNC(=O)CCCCCC(=O)O)cc1 4023510 GOKXKPBJIGAOMD-UHFFFAOYSA-N 321.417 3.517 0 40 DHAB biogenic Cc1cc(Nc2cccc(C(=O)O)c2)nc(-c2ccccc2)n1 5007609 WWZKMMMPLSKGFQ-UHFFFAOYSA-N 305.337 3.894 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 5062705 OJUKBPPQHZXQTH-RHSMWYFYSA-N 317.429 3.743 0 40 DHAB CCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c2ccccc2n1C 5206071 WIJAINOOSQJZFW-UHFFFAOYSA-N 320.392 3.862 0 40 DHAB COc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1 5388952 UXPCVIQDDHRPIU-UHFFFAOYSA-N 320.392 3.584 0 40 DHAB Cc1nc(CSc2nnc(-c3ccccc3C)n2C)cs1 5860071 VSVIGKJCKIKLRN-UHFFFAOYSA-N 316.455 3.848 0 40 DHAB CC(=O)c1cccc(NC(=O)c2ccccc2OC(F)F)c1 6376818 AUTHKLCSEMGSAZ-UHFFFAOYSA-N 305.280 3.743 0 40 DHAB O=c1[nH]c(-c2cccc(Cl)c2)nc2sc3c(c12)CCC3 6651196 JSWXTNAEZMFQDO-UHFFFAOYSA-N 302.786 3.794 0 40 DHAB CCCCNc1ncnc2c1c(C)c(C)n2Cc1cccnc1 6672282 GIZRXVDOJZPPJJ-UHFFFAOYSA-N 309.417 3.703 0 40 DHAB Cc1ccc(-c2nc(COc3ccccc3C(N)=O)cs2)cc1 7005488 CUARBXXLHICCDB-UHFFFAOYSA-N 324.405 3.796 0 40 DHAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(Cl)cc2Cl)C1 7811660 GEYBUZJLFQNYDK-GHMZBOCLSA-N 315.244 3.910 0 40 DHAB c1ccc(-n2cnnc2SCc2cc(-c3ccco3)on2)cc1 8211098 CNISGMATICMZAG-UHFFFAOYSA-N 324.365 3.808 0 40 DHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCO2 12454203 LHKIQJBPXSXUFK-UHFFFAOYSA-N 323.270 3.615 0 40 DHAB C(=C/c1cccs1)\c1n[nH]c(SCc2ccccn2)n1 12542464 FIAAAWVPPQVRTQ-VOTSOKGWSA-N 300.412 3.724 0 40 DHAB C[C@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 12815065 SHFQSGPVQDPOCZ-TXEJJXNPSA-N 306.793 3.604 0 40 DHAB C[C@@H](O)c1ccc(NC(=O)CSc2ccc(F)cc2F)cc1 12869134 OLGSZFZKZIZOEI-SNVBAGLBSA-N 323.364 3.749 0 40 DHAB C[C@H](C(=O)Nc1ccccc1)N(C)Cc1c(F)cccc1Cl 13039459 KGBOSXQFMBQEKK-GFCCVEGCSA-N 320.795 3.938 0 40 DHAB O=C(Oc1ccc(Br)cc1)c1ccc(Cl)nc1 14167252 DBUZNFNBVMQOET-UHFFFAOYSA-N 312.550 3.717 0 40 DHAB CCCCCCOc1ccc(/C=C2\SC(=N)NC2=O)cc1 16638260 JVCVCBMNZPMYGS-KAMYIIQDSA-N 304.415 3.784 0 40 DHAB Cc1cc(C(=O)Nc2cccc(Br)c2)ccc1N 19258446 AOFFGFAAZOITJG-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CC(C)N(C(=O)Cn1cccc2cc(C(F)F)nc1-2)C(C)C 19447599 CQTZGCRDICKJEF-UHFFFAOYSA-N 309.360 3.571 0 40 DHAB CCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 19533410 VJIINPIVWKKWOE-QFBILLFUSA-N 314.429 3.883 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 20456547 CYSQIKOQOBQLKT-SJORKVTESA-N 311.425 3.900 0 40 DHAB CC(C)COc1ccccc1[C@@H]1SCC(O)=Nc2n[nH]cc21 20716001 AIVJVSLHTLGUNV-HNNXBMFYSA-N 317.414 3.869 0 40 DHAB O=C(NCc1ccccn1)c1ccccc1COc1ccccc1 22687991 VVHZTANETXRIBR-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB COc1cccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 26898194 DGZVAIIKCSATRP-CQSZACIVSA-N 306.406 3.507 0 40 DHAB Nc1nc(-c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 27994384 VRZLAPVQWDXXNF-UHFFFAOYSA-N 319.773 3.891 0 40 DHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1Cl 31903807 OCPSOZXXEGPAQN-UHFFFAOYSA-N 322.257 3.947 0 40 DHAB Cc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 38833314 RBEZRPXBRJBFKJ-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB O=C(CCOc1cccc(Cl)c1Cl)Nc1nccs1 40140109 NHANNKPJBDWYGZ-UHFFFAOYSA-N 317.197 3.858 0 40 DHAB CCc1ccc(NC(=O)c2cccnc2Br)cc1 41107482 XVFCMUQETXURSH-UHFFFAOYSA-N 305.175 3.659 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1cc2cccc(C)c2o1 41306721 DMGJLFQRZRHGLW-UHFFFAOYSA-N 309.321 3.780 0 40 DHAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(C(=O)O)cc1 44135425 JNIWLSIBKAVFJK-AWEZNQCLSA-N 305.374 3.847 0 40 DHAB O=C(c1ccoc1)N(Cc1cccc(Br)c1)C1CC1 45197060 QIGXINXSUQOLRL-UHFFFAOYSA-N 320.186 3.847 0 40 DHAB CCCCC(=O)NC1CCN(Cc2ccc(Cl)s2)CC1 47822010 KOURFSLFCIMGRI-UHFFFAOYSA-N 314.882 3.672 0 40 DHAB C[C@H](NC(=O)Nc1ccc(N2CCCC2)nc1)c1cccs1 48085000 QLQSTWAYPJWSSP-LBPRGKRZSA-N 316.430 3.626 0 40 DHAB O=C(O)c1cnc(Cc2ccccc2)nc1Nc1ccccc1 49469677 KADUVQNTXVGJQE-UHFFFAOYSA-N 305.337 3.509 0 40 DHAB CCc1noc(CNC(C)(C)c2cccc(C(F)(F)F)c2)n1 65540182 ISYBAAHWXBUZEA-UHFFFAOYSA-N 313.323 3.676 0 40 DHAB COC[C@@H](c1ccccn1)N(C)C(=O)c1cccc2cc(C)oc12 67654592 JOBXZDICJWMZHG-KRWDZBQOSA-N 324.380 3.596 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N(C(C)C)C1CCCC1 69666495 ANZKARQEEBVZTF-UHFFFAOYSA-N 316.401 3.965 0 40 DHAB Cc1noc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 72300843 OZHUAHUYZJWBLH-ZDUSSCGKSA-N 316.401 3.995 0 40 DHAB O=C(COc1ccccc1F)NCc1cccc2ccccc12 74376597 BAOFOBBTVZUVCL-UHFFFAOYSA-N 309.340 3.674 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 80345133 NSDAPNSMXMCRHH-GJZGRUSLSA-N 309.365 3.508 0 40 DHAB Cc1cccc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1Cl 81091981 ZNIXMOAQOPJYJV-LBPRGKRZSA-N 318.808 3.783 0 40 DHAB COc1ccccc1[S@@](=O)Cc1ncc(-c2cccs2)o1 85233463 DAOJNMRMGWBBHM-OAQYLSRUSA-N 319.407 3.720 0 40 DHAB CC(C)c1nn(C)c2sc(C(=O)N3C[C@@H]4CCC[C@H]4C3)cc12 89891219 SCLONRASZCINDM-RYUDHWBXSA-N 317.458 3.630 0 40 DHAB CC(C)[C@H](NCc1nncn1-c1ccccc1)c1ccccc1 91284615 AIRUXZPMXQCVIY-IBGZPJMESA-N 306.413 3.754 0 40 DHAB Cc1cc2nnc(SCCSc3ccccc3)n2c(C)n1 95455413 JEKSTWWHNYWZDP-UHFFFAOYSA-N 316.455 3.626 0 40 DHAB CO[C@@](C)(CNC(=O)Cc1ccsc1)c1cccc(Cl)c1 96392731 HCJICVDBAMVIAF-INIZCTEOSA-N 323.845 3.622 0 40 DHAB Cc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(C)o1 96426614 AFJJCGZVSNIJPJ-UHFFFAOYSA-N 316.376 3.752 0 40 DHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]21 100216073 ZXDQTOXNJLYQAL-DPDCMNJDSA-N 313.784 3.598 0 40 DHAB CC(C)(C)OC(=O)NCc1cccc(Br)c1F 142051337 ROLRBQXGDRFORA-UHFFFAOYSA-N 304.159 3.613 0 40 DHAB O=C(O)c1cc(NC(=S)NC2CCCCC2)ccc1Cl 216928192 NPNLCJAFUGTZAJ-UHFFFAOYSA-N 312.822 3.657 0 40 DHAB COCc1cc(C(=O)Nc2ccccc2Cl)ccc1OC 224396367 WXNTZYVJSQMBHI-UHFFFAOYSA-N 305.761 3.747 0 40 DHAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 224911407 UYJOULFBYBMABS-UHFFFAOYSA-N 307.390 3.658 0 40 DHAB Cc1ccc(CNC(=O)c2snnc2-c2ccc(C)cc2)cc1 225772943 CRGDRZBQOOEWGB-UHFFFAOYSA-N 323.421 3.752 0 40 DHAB COc1cc(C=O)cc(CSC)c1OCc1ccccc1 226288294 HVUBPZMWPRGOJI-UHFFFAOYSA-N 302.395 3.950 0 40 DHAB Cc1ccccc1OCC(=O)Nc1c(C)cc(N)cc1Cl 227145101 DPZSYBRHJZVJDI-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB O=C(O)c1ccccc1Oc1nc2ccccc2nc1Cl 247432629 UVAZCKXFUHNRRH-UHFFFAOYSA-N 300.701 3.774 0 40 DHAB COc1ccc2[nH]c(CN3CCC[C@@H](c4[nH]ncc4C)C3)cc2c1 257207031 BGBCRDBDXSWZFO-CQSZACIVSA-N 324.428 3.588 0 40 DHAB Cc1cccc(-c2cnc3n2CCN(Cc2cccs2)C3)c1 306130371 JDXROSDOPHQQNA-UHFFFAOYSA-N 309.438 3.936 0 40 DHAB COc1cc(C(=O)C(C)(C)CCl)ccc1Br 380985674 DCLLUQLVEDPKAY-UHFFFAOYSA-N 305.599 3.905 0 40 DHAB COc1ncccc1NC(=O)CC1(n2cccc2)CCCCC1 524733471 UGHBTSXAQZAABM-UHFFFAOYSA-N 313.401 3.580 0 40 DHAB Cc1cc(C(=O)N[C@H](C)Cc2csc3ccccc23)no1 575618756 CDVHNPGTHRPSTC-SNVBAGLBSA-N 300.383 3.559 0 40 DHAB O=C(COc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776007802 GAILZVVQMJANNI-IRXDYDNUSA-N 315.388 3.838 0 40 DHAB COc1ccc(NC(=O)Nc2nc3c(s2)CCCC3)cc1 180470 DZJAAIBZJJPNCS-UHFFFAOYSA-N 303.387 3.675 0 40 DHAB C[C@H]1CCc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2C1 189363 APFDZGGENIGECX-NSHDSACASA-N 315.442 3.586 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 411441 DDVOUWCLSGNTSS-UHFFFAOYSA-N 304.349 3.998 0 40 DHAB COc1ccc2[nH]c3c(NCCc4ccccc4)ncnc3c2c1 539726 AYKXOKOTFJXORV-UHFFFAOYSA-N 318.380 3.774 0 40 DHAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NC1CCCCC1 578899 PATNAZFVHGVVKB-UHFFFAOYSA-N 324.424 3.683 0 40 DHAB COc1ccc(C(=O)Nc2c(O)ccc3ccccc23)cc1OC 1706112 FGEPCKCFNIFHLG-UHFFFAOYSA-N 323.348 3.815 0 40 DHAB CCc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 2256592 RFLQIWHUKUGOHD-OAHLLOKOSA-N 312.394 3.887 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1 2694369 RKIYHUWPPCZGFT-WMZOPIPTSA-N 313.441 3.901 0 40 DHAB CC[C@H](CO)NC(=O)c1cc2sc3ccccc3c2s1 3183326 NIGSYBCWPCYQOP-SECBINFHSA-N 305.424 3.617 0 40 DHAB S=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Cl 3214755 OEEQSSXQNZFHJE-UHFFFAOYSA-N 306.774 3.878 0 40 DHAB Cc1ccc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)s1 3254901 FFFZCSQZYZEPGA-UHFFFAOYSA-N 317.410 3.655 0 40 DHAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC(C)(C)C)cc12 3314939 ZPBXOTINYKILCV-UHFFFAOYSA-N 313.426 3.924 0 40 DHAB Cc1csc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 3333942 UDESQQVMVQNWJW-JTQLQIEISA-N 310.806 3.819 0 40 DHAB COc1ccc(-c2nnc(SCc3c(C)noc3C)o2)cc1 3345479 PWCMECKTTMAUHR-UHFFFAOYSA-N 317.370 3.642 0 40 DHAB CCOC(=O)[C@@H]1CC2(CC[C@@H]1N)c1ccccc1-c1ccccc12 4742913 ZXMLXVVRBMOTQI-APWZRJJASA-N 321.420 3.644 0 40 DHAB Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(C)C)cc1 4887838 HIUKSAQLQLHGAY-AYHJJNSGSA-N 315.461 3.910 0 40 DHAB Cc1csc(SCC(=O)N[C@@H](C)CCc2ccccc2)n1 5101611 UKDCIZAYRTWCOF-LBPRGKRZSA-N 320.483 3.681 0 40 DHAB COc1ccc2[nH]c(C)c(C(=O)CN3[C@@H](C)CCC[C@@H]3C)c2c1 5119002 QUHNCOFYZXPAOI-STQMWFEESA-N 314.429 3.931 0 40 DHAB Nc1ccccc1CNC(=O)Nc1cccc(C(F)(F)F)c1 5589415 AYLOBERKVLENSZ-UHFFFAOYSA-N 309.291 3.609 0 40 DHAB Cc1cc(CSc2nnc3cc(C)c4ccccc4n23)no1 5702324 HIYJRLYCFGFPQY-UHFFFAOYSA-N 310.382 3.780 0 40 DHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1CCC1 6219333 JHIKDSFLOYGYKK-UHFFFAOYSA-N 323.418 3.708 0 40 DHAB O=C(Nc1ccccc1F)c1cc(Cl)c2c(c1)OCCCO2 7780957 NWWOEAFGHJIOSS-UHFFFAOYSA-N 321.735 3.893 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1F)c1cc2ccccc2o1 7889211 PHFCGDYTWCFATA-GFCCVEGCSA-N 313.328 3.828 0 40 DHAB CCOc1ccccc1Nc1nc(-c2ccccc2)cc(=O)[nH]1 7995031 MUDBSDUJISOFPI-UHFFFAOYSA-N 307.353 3.579 0 40 DHAB COc1ccc(-c2nc(C(=O)NC3CCCCC3)cs2)cc1 8007406 LVTLEBUFTDITNA-UHFFFAOYSA-N 316.426 3.881 0 40 DHAB Cc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 8129988 RAHIPPVRVFZWEI-MRVPVSSYSA-N 303.412 3.691 0 40 DHAB O=C(Cc1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 8191903 GPPXPLVYINBQIB-UHFFFAOYSA-N 315.394 3.971 0 40 DHAB Clc1cccc(-c2nnn(Cc3ccccc3Cl)n2)c1 8324890 XFKQOJUZFAJUPP-UHFFFAOYSA-N 305.168 3.695 0 40 DHAB CC(C)Sc1cccc(C(=O)Nc2sccc2C(N)=O)c1 10253308 BYKWHXGJFOPZLF-UHFFFAOYSA-N 320.439 3.600 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)nc1 12742701 NMHONZUYDXPEPF-UHFFFAOYSA-N 322.408 3.870 0 40 DHAB Cc1ccccc1/C=C/c1nnc(SCC(=O)c2ccc[nH]2)[nH]1 12845583 FDWQUDFRLHPAAT-CMDGGOBGSA-N 324.409 3.587 0 40 DHAB O=C(Nc1nncs1)c1cc2c(s1)-c1ccccc1CC2 13004386 KJZOSJDOGPYZIR-UHFFFAOYSA-N 313.407 3.618 0 40 DHAB Cc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)Nc3nc(N)nn32)cc1 13131313 QUCFOWADJYAOPP-SJORKVTESA-N 319.412 3.623 0 40 DHAB Cc1c(C(=O)N[C@H](CC(=O)O)c2ccccc2)oc2ccccc12 13224616 YPFHRFVADHJMIV-OAHLLOKOSA-N 323.348 3.687 0 40 DHAB Clc1nc2cc3c(cc2cc1CNCC1CCCC1)OCO3 13999009 BFJYFFAZTRRBSD-UHFFFAOYSA-N 318.804 3.897 0 40 DHAB CC(=O)Nc1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 14015677 DHLXKGVXYAYNRA-UHFFFAOYSA-N 317.414 3.651 0 40 DHAB CC(C)N(CCNC(=O)c1cc2c(s1)CCCCC2)C(C)C 14070460 CYZNVPPIOWDIER-UHFFFAOYSA-N 322.518 3.866 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)NCc1ccccc1Cl 15807564 JGVMKMZIMVAKGI-NSHDSACASA-N 306.818 3.532 0 40 DHAB O=C1C[C@H](c2cccs2)Cc2c1cnn2-c1ccccc1F 17032451 MCKYNIHCZLWKJD-LLVKDONJSA-N 312.369 3.986 0 40 DHAB c1ccc([C@H]2CCN[C@@H]3CCCCN(Cc4ccccn4)[C@@H]32)cc1 19373931 QQCZUBMJPMCNNH-NJDAHSKKSA-N 321.468 3.582 0 40 DHAB CC[C@H]1CCc2sc(C(=O)Nc3ncccc3O)cc2C1 21901724 HEUKFHQICAKYLA-JTQLQIEISA-N 302.399 3.616 0 40 DHAB Cc1nc(CCNC(=O)c2cc(Cl)ccc2Cl)cs1 22527122 YYXKWSFHXCHKDH-UHFFFAOYSA-N 315.225 3.731 0 40 DHAB CCN(CC)[C@H](CNC(=O)c1ccoc1)c1ccccc1Cl 22681879 GKNRJLUYECNCCB-MRXNPFEDSA-N 320.820 3.746 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)c1cc(C)ccc1C 23689308 NAYBFBRZMDNXSC-UHFFFAOYSA-N 310.397 3.696 0 40 DHAB Cc1nc(-c2cc(C)n(CC(=O)NC3CCCC3)c2C)cs1 24980158 WIMIVQMAZCLVBC-UHFFFAOYSA-N 317.458 3.596 0 40 DHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCC2CC2)cc1C 27469044 NWRYPQPCGCXQAV-UHFFFAOYSA-N 307.393 3.674 0 40 DHAB CN1C(=O)c2ccccc2N[C@@H]1c1csc(Br)c1 28923093 BBOBGTLMNQMOOQ-LBPRGKRZSA-N 323.215 3.707 0 40 DHAB COc1cccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c1 31694555 IYJLIWOQQMCXLC-LBPRGKRZSA-N 301.411 3.908 0 40 DHAB O=C(COc1ccccc1-c1ccccc1)Nc1ccncc1 32726934 PODFVVXJDNYDJT-UHFFFAOYSA-N 304.349 3.766 0 40 DHAB COc1ccccc1Oc1ccnc(-c2cccc(C(=O)O)c2)n1 32918455 ICEUOJZKJQWNGC-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB Cc1cc(C)n2nc(Sc3nc4ccccc4s3)nc2n1 32923357 FSWKVQBQOBFMDE-UHFFFAOYSA-N 313.411 3.502 0 40 DHAB COC(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127594 WRFNDILHJDDUMP-UHFFFAOYSA-N 301.729 3.864 0 40 DHAB CC(=O)Nc1cc(NC(=O)N(CC(C)C)CC(C)C)ccc1F 47482455 PDFUHSIYEQMPTO-UHFFFAOYSA-N 323.412 3.930 0 40 DHAB O=C(NCCc1ccsc1)NC12CC3CC(CC(C3)C1)C2 47575780 TYKHYLZEIANBTH-UHFFFAOYSA-N 304.459 3.559 0 40 DHAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2cc(C)on2)c(C)c1 58048661 YWTUPHJWFOUSPM-UHFFFAOYSA-N 314.385 3.900 0 40 DHAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)Nc1ccccc1 58181871 RTSREYAJIPRGGX-SFHVURJKSA-N 323.440 3.720 0 40 DHAB CC(C)C[C@@H](NC(=O)c1c[nH]c(=O)c(Cl)c1)c1cccs1 58209699 LRALUKISSIOBGK-GFCCVEGCSA-N 324.833 3.607 0 40 DHAB O=C(CCc1ccccc1)N(Cc1cccnc1)Cc1ccco1 58604341 ZOQJURMJQSZOAV-UHFFFAOYSA-N 320.392 3.836 0 40 DHAB CN(C)C(=O)c1cccc(-c2nc3ccc(F)cc3s2)c1 59843058 UHKSLBIUXJKFJN-UHFFFAOYSA-N 300.358 3.804 0 40 DHAB O=S(=O)(c1ccccc1)c1cnc2c(F)cccc2c1Cl 72329788 XRKZPWCJLTVPDD-UHFFFAOYSA-N 321.760 3.860 0 40 DHAB Cc1nc(C)c(CNC(=O)N2C[C@H](C)c3ccccc32)s1 74664992 XFNWTLOCMPWARN-JTQLQIEISA-N 301.415 3.593 0 40 DHAB O=C(CC[C@H]1CCCO1)Nc1ccc2nc(C3CC3)oc2c1 79025323 MCECPSCKQJQMPP-CYBMUJFWSA-N 300.358 3.603 0 40 DHAB Cc1nc2ccc(NCc3ccc(-n4cncn4)c(C)c3)cc2o1 89591429 FISMRQNSZKYZCF-UHFFFAOYSA-N 319.368 3.637 0 40 DHAB CCOC(=O)c1sc(NC(=O)C2CCCC2)nc1C(C)C 89984816 OVTKGMSXVBFHOE-UHFFFAOYSA-N 310.419 3.572 0 40 DHAB CCSc1ccccc1OC(=O)c1ccc([S@@](C)=O)cc1 96408021 YFMRHXRIENFNED-NRFANRHFSA-N 320.435 3.755 0 40 DHAB CC(C)(C)Oc1ccccc1NC(=O)NCCc1cscn1 96484124 YAIQCROOLZQZIM-UHFFFAOYSA-N 319.430 3.685 0 40 DHAB Cc1nc(C[S@](=O)[C@@H]2CCc3c(Cl)cccc32)oc1C 97083671 GROXOPDYEQXZOC-JLTOFOAXSA-N 309.818 3.881 0 40 DHAB O=C(NCCOc1ccccc1Cl)c1ccccc1Cl 159300538 APHCBDZYMBAOAD-UHFFFAOYSA-N 310.180 3.802 0 40 DHAB CCCOc1cccc(C(=O)n2cc(C=O)c3ccccc32)c1 216957231 VIVPPZRPNCVNBL-UHFFFAOYSA-N 307.349 3.931 0 40 DHAB CCOc1cc(C=O)ccc1OCCN1[C@@H](C)CCC[C@@H]1C 217789454 UWWNHWFBMMLTNM-GJZGRUSLSA-N 305.418 3.540 0 40 DHAB CCN(Cc1ccc2[nH]ccc2c1)C(=O)NCc1cccc(C)n1 225531639 QYMZHJVYAMRVIU-UHFFFAOYSA-N 322.412 3.603 0 40 DHAB CCc1nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2n1C 225895994 DXDXPVXRXCKYMN-CYBMUJFWSA-N 307.397 3.627 0 40 DHAB C[C@H]1C[C@@H](C)[C@H](C)C[C@H]1NC(=O)c1nc(Cl)c(Cl)[nH]1 255188728 LEILTLAATFEQFY-LURQLKTLSA-N 304.221 3.517 0 40 DHAB c1cc(CN2CCn3c(-c4ccsc4)cnc3C2)cs1 306124182 BIPYMFPISKNVJJ-UHFFFAOYSA-N 301.440 3.689 0 40 DHAB S=C(NCc1ccccc1)Nc1cccc(N2CCCC2)c1 408588674 XRAACXLVDXOAGW-UHFFFAOYSA-N 311.454 3.773 0 40 DHAB O=C(O)c1cccc(NC(=O)c2coc(-c3ccccc3)c2)c1 408722994 KMHBOXXSGPOQOB-UHFFFAOYSA-N 307.305 3.897 0 40 DHAB COc1cccc(C2(NC(=O)C[C@@H]3C[C@H]3c3ccccc3)CC2)c1 585081282 PEQKLSJVSZXTHH-LPHOPBHVSA-N 321.420 3.994 0 40 DHAB O=C(NCC[C@H]1CCc2ccccc21)c1ccc(F)c(F)c1 1527510220 CXBNZGNEVLRLOL-CYBMUJFWSA-N 301.336 3.815 0 40 DHAB Cc1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1C 131925 JLKHTEZKMPTEKO-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CCc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 264119 RJPMNOAUTQFVHL-UHFFFAOYSA-N 306.365 3.655 0 40 DHAB Oc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 416831 SCTCWXYDNHZHAE-UHFFFAOYSA-N 302.330 3.874 0 40 DHAB CCC[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1 549316 UIZUORHLXDRESL-INIZCTEOSA-N 311.360 3.973 0 40 DHAB Cc1cc(Cl)ccc1-n1c(S)nnc1-c1cccnc1 1264163 JLBPXUCAICWTFJ-UHFFFAOYSA-N 302.790 3.580 0 40 DHAB Cc1cccc(NC(=O)O[C@@H](C)c2sc3ncnn3c2C)c1 1405010 FGKNXFAXRBPBEH-NSHDSACASA-N 316.386 3.717 0 40 DHAB Cc1ccccc1Nc1nc(N)nc(CSc2ccccc2)n1 3330003 DAMLPIVDOPCSSN-UHFFFAOYSA-N 323.425 3.798 0 40 DHAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cccs2)N3)C1 4556134 VNNDLTJLUMCMCA-CYBMUJFWSA-N 319.455 3.617 0 40 DHAB CN1CCC([C@@H]2COC2(c2ccccc2)c2ccccc2)CC1 4600879 PYYYJPPJCMMYFY-FQEVSTJZSA-N 307.437 3.918 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCC[C@H]2C)cc1 5062706 OJUKBPPQHZXQTH-PBHICJAKSA-N 317.429 3.743 0 40 DHAB CCn1c(C)c(C(=O)NCc2ccco2)c2cc(OC)ccc21 5346643 NQTITBAWXVFDCX-UHFFFAOYSA-N 312.369 3.501 0 40 DHAB COc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1F 5938478 HMACHDGTZAMMIB-UHFFFAOYSA-N 323.751 3.895 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)cc1F 8050845 NGUWABAEJIFKMM-AWEZNQCLSA-N 321.323 3.770 0 40 DHAB O=C(CC1(C(=O)O)CCCC1)Nc1cccc(Cl)c1Cl 8983931 BTZKDKBFXDWFCP-UHFFFAOYSA-N 316.184 3.967 0 40 DHAB CCc1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)[nH]1 11714714 GLNUITBFBWGQEF-JTQLQIEISA-N 314.414 3.520 0 40 DHAB C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1C(C)(C)C 11847326 BXGXPPXTLUSKMR-HZPDHXFCSA-N 305.462 3.598 0 40 DHAB Clc1cccc(-c2cc3nccc([C@H]4CCCNC4)n3n2)c1 12154370 HOKZETJYGJCZNO-ZDUSSCGKSA-N 312.804 3.517 0 40 DHAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCc2ncccc21 12538636 TYZRHVUUNLIIBP-UHFFFAOYSA-N 321.207 3.910 0 40 DHAB CCc1ccc([C@@H](CNc2cnc3ccccc3n2)N(C)C)cc1 12789989 IBSFYKRVRYMIIT-LJQANCHMSA-N 320.440 3.907 0 40 DHAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 13000370 MXMMRKMCTBFSOK-GFCCVEGCSA-N 309.818 3.521 0 40 DHAB c1csc(-c2nc(N3CCCC3)ncc2-c2ccsc2)n1 13268359 CHDQNFKTLYUBBD-UHFFFAOYSA-N 314.439 3.929 0 40 DHAB CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nccnc2c1 13844668 OXSRCKANCXYPSE-UHFFFAOYSA-N 300.406 3.966 0 40 DHAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)n1 14112669 PTQQQOXJKZEDPC-QMMMGPOBSA-N 311.357 3.570 0 40 DHAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)on1 14137243 IDLOUURNHYQDEF-UHFFFAOYSA-N 321.308 3.637 0 40 DHAB COc1cccc(CNCc2c(C)nn(-c3ccccc3)c2C)c1 14199679 KZHRCVRFVHWLAU-UHFFFAOYSA-N 321.424 3.788 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(F)c(F)c1F 14738059 QMGDGHUOVWYTOI-UHFFFAOYSA-N 309.287 3.738 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 17321943 OYTNWOJBWUMADQ-ZDUSSCGKSA-N 315.800 3.692 0 40 DHAB Cc1c(N)cccc1NC(=O)COc1ccc(C(C)(C)C)cc1 19736320 WQCFCKJPZYMESD-UHFFFAOYSA-N 312.413 3.892 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2N)c1C 20344430 BKXKSHKZWCFKFV-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1sc2nc(C(=O)Oc3ccc(F)cc3)cc(N)c2c1C 20459392 MCQRNHPYLUMTGJ-UHFFFAOYSA-N 316.357 3.854 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2ccccc2C)N2CCCC2)cc1 27793196 WKQFZTLWDQLJQK-HXUWFJFHSA-N 322.452 3.870 0 40 DHAB Cc1ccc(-c2nc(CSc3nnnn3C(C)C)cs2)o1 32329957 OSRXETFWJWJBSZ-UHFFFAOYSA-N 321.431 3.571 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1C 32476011 QWLKKBJSXUKKDY-NVXWUHKLSA-N 311.425 3.991 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)ccn1)c1ccc(Cl)s1 32817603 YQAHBZWAMAUIAH-ZETCQYMHSA-N 301.198 3.941 0 40 DHAB CCOc1cccc2cc3c(=O)n(-c4cccc(F)c4)nc-3oc12 33020928 NKHATFYIVDMCMD-UHFFFAOYSA-N 324.311 3.621 0 40 DHAB CCc1ccc(N2C(=O)C[C@H](Nc3cc(C)ccc3C)C2=O)cc1 36635569 CDYJYXIQKCQLEC-SFHVURJKSA-N 322.408 3.610 0 40 DHAB Clc1nc2ccc(I)cc2nc1Cl 51971783 MNRFQXPQQAOODT-UHFFFAOYSA-N 324.936 3.541 0 40 DHAB C[C@H](Nc1cccc2c1OCCO2)C(=O)c1c[nH]c2ccccc12 55156629 BPTHRUNHVFRZHZ-LBPRGKRZSA-N 322.364 3.622 0 40 DHAB COc1ccc([C@H](NCc2nc(C)no2)c2ccc(C)cc2)cc1 58225201 VKYKLWFMBJIRQJ-LJQANCHMSA-N 323.396 3.574 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)nc1Cl 60098483 RUBSMAIUYFDUCO-SECBINFHSA-N 307.180 3.980 0 40 DHAB CO[C@@H](C(=O)NC[C@@H](c1ccccc1)C(C)C)c1ccccc1 61405146 OVYCNDQWCINQOO-RTBURBONSA-N 311.425 3.930 0 40 DHAB CC(C)NC(=O)CSCc1csc(-c2ccsc2)n1 65567139 MWWGNUNNPJSIEZ-UHFFFAOYSA-N 312.485 3.629 0 40 DHAB CCOc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72211807 QVLZNGAVOWEPNQ-AWEZNQCLSA-N 306.406 3.942 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccs2)cc1 72221668 BWYJKVGQBFMXCF-OAHLLOKOSA-N 321.467 3.972 0 40 DHAB CCCCc1cc(NC(=O)COc2cc(C)ccc2C)on1 72311493 WFBHNQJHISQZAE-UHFFFAOYSA-N 302.374 3.652 0 40 DHAB CC[C@@H](NC(=O)N[C@@H](C)c1cc(C)oc1C)c1ccncc1 73900650 BOIAEJCKSFDMFB-BLLLJJGKSA-N 301.390 3.803 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1C 80345238 PDFLDYOYTDFPTO-IAGOWNOFSA-N 323.392 3.817 0 40 DHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1cccs1 95377643 VFMCUBDULFBFJU-UHFFFAOYSA-N 313.426 3.767 0 40 DHAB COCCC1(CNC(=O)N2CCCCC[C@H]2c2ccco2)CC1 95427192 VDOHVWUNSWHPGO-HNNXBMFYSA-N 320.433 3.723 0 40 DHAB COc1ccc(C(=O)c2ccccc2OC(F)(F)F)cc1F 95917431 LWGGOQXJLZEJJX-UHFFFAOYSA-N 314.234 3.964 0 40 DHAB C[C@H](NC1(c2cccc(F)c2)CCOCC1)c1ccccn1 95991470 OSACPJZEDAIHSI-AWEZNQCLSA-N 300.377 3.577 0 40 DHAB CCc1cnccc1CNC(=O)c1ccc(SC(F)F)cc1 95995407 BQJPFZCVOWQRSE-UHFFFAOYSA-N 322.380 3.889 0 40 DHAB COc1ccc(CC(=O)N2CCC(C)(C)c3ccccc32)cc1 96100825 DTXMVFRSMYPKKD-UHFFFAOYSA-N 309.409 3.952 0 40 DHAB CCO[C@@H]1CC2(CCN(C(=O)C(C)C)CC2)c2cc(F)ccc21 96241676 MZAAEIJFMYMOSG-QGZVFWFLSA-N 319.420 3.823 0 40 DHAB C[C@H](c1ccncc1)N(C)C(=O)NCCOC1CCCCCC1 96411460 GNJUSSAAXQKWLV-OAHLLOKOSA-N 319.449 3.523 0 40 DHAB CC[C@H](N[C@H](C)c1cc(OC)ccc1OC)c1ccncc1 96478337 UEZIAWQSUQRXAG-DYVFJYSZSA-N 300.402 3.901 0 40 DHAB CCCCCC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(C)nn21 102112612 DKRAWZXUGLDJJP-SFHVURJKSA-N 312.417 3.682 0 40 DHAB N[C@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O 113264415 VVJSFKRZWZKXLP-HXUWFJFHSA-N 317.388 3.975 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cnc(C2CC2)nc1C 222565932 ZDBQEGLJFWXSEH-UHFFFAOYSA-N 317.776 3.577 0 40 DHAB O=C(NCc1cccnc1-c1ccco1)c1ccc(Cl)s1 225659556 ACFWCJTUIBFEMZ-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB CC[C@H](C(=O)OC)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260624918 WNLXXISROXROMF-IUODEOHRSA-N 305.418 3.739 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260760913 CFGSKLFXCUVBPS-YQQAZPJKSA-N 301.430 3.802 0 40 DHAB O=C(c1cccc(Br)c1)C(F)(F)C(F)(F)F 309541755 HGZOTYKJCUZVQZ-UHFFFAOYSA-N 303.024 3.829 0 40 DHAB C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1nc(C(=O)O)cs1 572250231 KNNPRIOOKQLKSD-SNVBAGLBSA-N 324.833 3.558 0 40 DHAB COC(=O)CCCCC(=O)c1cccc(OC(F)(F)F)c1 575359233 WQVIIDAKMGAAQV-UHFFFAOYSA-N 304.264 3.501 0 40 DHAB O=C(NCCc1ccc(-c2cccs2)s1)C1CCOCC1 1889101103 IGONJNQVRBLUOT-UHFFFAOYSA-N 321.467 3.562 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2nc3ccccc3s2)c1 120507 BZCMUCXRVBKKLJ-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB CCc1cc2c(=O)n(Cc3ccccc3Cl)cnc2s1 148813 UADNKOLMDYLYOM-UHFFFAOYSA-N 304.802 3.722 0 40 DHAB CC(=O)CSc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 537195 XQUAVUUMEGQGPG-UHFFFAOYSA-N 322.455 3.962 0 40 DHAB CCN(CC)CCCCCNc1cc(O)cc2cccnc12 1687521 QCFWRPRHNQZRFT-UHFFFAOYSA-N 301.434 3.864 0 40 DHAB CCN(CC)CCn1c2ccc(OC)cc2c2nc(C)sc21 2337833 AKTCIIVUKJKEFJ-UHFFFAOYSA-N 317.458 3.910 0 40 DHAB O=C(c1cccc(CN2CC=CC2)c1)c1cc(F)c(F)c(F)c1 2515423 FJECGIMUWZIMGK-UHFFFAOYSA-N 317.310 3.707 0 40 DHAB COc1ccc2c(CC(=O)Nc3ccc(F)cc3F)coc2c1 3561536 WRPZTHOBGCPJOS-UHFFFAOYSA-N 317.291 3.901 0 40 DHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)s1 4562923 RZJLASDKBRFWKZ-UHFFFAOYSA-N 319.769 3.923 0 40 DHAB CCCCCC[C@@H](C)NC(=O)Cc1ccc(OC)c(OC)c1 4691452 DFQZMKYDWIRMSM-CQSZACIVSA-N 307.434 3.721 0 40 DHAB O=C(OCc1csc(-c2ccccc2)n1)c1cccc(O)c1 5076631 IOTLGBGXEPFUOX-UHFFFAOYSA-N 311.362 3.873 0 40 DHAB CCN1C(=O)S/C(=C\c2ccc(N3CCCCCC3)o2)C1=O 6083640 YLCDOZJMDAWGJV-QBFSEMIESA-N 320.414 3.716 0 40 DHAB Cc1cccc(NC(=O)CSc2nc3ccccc3s2)n1 6968625 UUYRZXMRNSHXRV-UHFFFAOYSA-N 315.423 3.731 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccnn2Cc2cccs2)c1 7793836 ZXKXOOISDMFWTH-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB COc1ccc(CN(C)C(=O)CSc2ccc(C)cc2)cc1 7871767 IBNGPWDMBMXREY-UHFFFAOYSA-N 315.438 3.754 0 40 DHAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C)CC1=O 7881955 SPWYNODZBMQUHA-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB COc1cc(C)c(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 8770185 HHIOFIFJDLNRDD-MJBXVCDLSA-N 303.402 3.777 0 40 DHAB COc1ccccc1NC(=O)CCSCc1csc(C)n1 9065764 LHHZRRVYWILDLJ-UHFFFAOYSA-N 322.455 3.722 0 40 DHAB COc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 11760362 XLJOVAGWPHKRIT-ZDUSSCGKSA-N 316.376 3.737 0 40 DHAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1nccs1 11867507 AYAKDZMAAARLOK-UHFFFAOYSA-N 319.386 3.587 0 40 DHAB CCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 12822580 LBPBYQQQHRSPQV-UHFFFAOYSA-N 315.760 3.535 0 40 DHAB O=C(Nc1ccccc1O)c1cc(C2CC2)nn1-c1ccccc1 12927382 VLOJIFZCEYIUQQ-UHFFFAOYSA-N 319.364 3.708 0 40 DHAB COc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1 13011063 RVFUTQQNWHPWQH-UHFFFAOYSA-N 322.311 3.618 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C 14398307 MVNRXTSTUNSWCO-NSHDSACASA-N 315.866 3.755 0 40 DHAB Cc1nc(-c2ccccc2)c(C(=O)Nc2nccs2)s1 15577881 JVCIFIMGZOIGMK-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB Clc1cc(Cl)cc(CNc2nnc3n2CCCCC3)c1 16769839 DNUHRQHCMQNZRL-UHFFFAOYSA-N 311.216 3.923 0 40 DHAB O=C1O[C@H](N2CCC(Cc3ccccc3)CC2)c2ccccc21 19842913 GQKCVSWYEGQAPO-IBGZPJMESA-N 307.393 3.810 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-n2cccn2)cc1 21796323 OCNGEFPSZCIIEE-UHFFFAOYSA-N 321.424 3.571 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 24070129 LAPNNXRKZPVCEQ-UHFFFAOYSA-N 319.810 3.958 0 40 DHAB C[C@H]1CO[C@H](C)CN1Cc1ncc(-c2ccc(Cl)cc2)o1 27646162 PCFUGRKZPXMCKH-NWDGAFQWSA-N 306.793 3.604 0 40 DHAB CCOC(=O)N[C@@H]1Sc2ccccc2N=C1c1ccccc1 28294052 UYXBECCSTJVKOL-MRXNPFEDSA-N 312.394 3.985 0 40 DHAB Cc1ccc(NC(=O)CNc2ccc(-n3cccn3)cc2)c(C)c1 32932722 CBDBBBJBKSWEEY-UHFFFAOYSA-N 320.396 3.540 0 40 DHAB O=C(Nc1cccc(N2CCCC2)c1)c1cccnc1Cl 37981263 JQUKDTIBHCYSHT-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB COc1ccc([C@H]2CCCN2Cc2nnsc2Cl)cc1 40466168 WAXARKMDDIXODO-CYBMUJFWSA-N 309.822 3.537 0 40 DHAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@H]1c1ccsc1 44940739 NYJBDVQJBDJCIH-MRXNPFEDSA-N 324.405 3.567 0 40 DHAB Cc1csc(CNC(=O)CCc2ccc(C(C)C)cc2)n1 45040330 IFAVIVUFVKIQPU-UHFFFAOYSA-N 302.443 3.824 0 40 DHAB COc1cc(CN(C)C(=O)N[C@H](C)C(C)C)ccc1SC 58229164 YEJYTXNRGMIBGX-GFCCVEGCSA-N 310.463 3.603 0 40 DHAB Cc1c([C@H](C)NCc2ccccn2)cnn1-c1ccc(F)cc1 62420788 KWKVMKBNYKIMRY-ZDUSSCGKSA-N 310.376 3.566 0 40 DHAB O=C(CSc1ncc(-c2ccccc2)o1)NCc1ccccc1 65848938 NCBMOATVUQVAPB-UHFFFAOYSA-N 324.405 3.750 0 40 DHAB O=C(CC(F)(F)F)NC1(c2ccc(Br)cc2)CC1 65851921 RYFJFMSAEXUNJJ-UHFFFAOYSA-N 322.124 3.507 0 40 DHAB COCc1ccccc1C(=O)Nc1c(C)cccc1OC(F)F 69632657 RCQSAELSMQLAOJ-UHFFFAOYSA-N 321.323 3.995 0 40 DHAB O=C(/C=C/c1ccnc2ccccc12)N(CC(F)(F)F)C1CC1 71910382 QVMYNCKXGTXXJR-VMPITWQZSA-N 320.314 3.801 0 40 DHAB CN(Cc1ccncc1)C(=O)Nc1cc(-n2cccc2)ccc1F 73983250 ADQDGLRNDKXRPC-UHFFFAOYSA-N 324.359 3.675 0 40 DHAB O=C(NCc1cccs1)N1CCC(c2cccs2)CC1 75157081 DIYVCDFDGAIKKT-UHFFFAOYSA-N 306.456 3.899 0 40 DHAB O=C(NCc1ccncc1)Nc1cccc(Oc2ccccn2)c1 76082157 LVXFHANTLILZNG-UHFFFAOYSA-N 320.352 3.591 0 40 DHAB Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 80344676 DSSMSQLNKGTJJP-HOTGVXAUSA-N 309.365 3.508 0 40 DHAB Cc1cc(C(=O)Nc2cnn(CC(C)C)c2)c(C)n1C(C)C 81281310 GPBBZRZAPZQLDT-UHFFFAOYSA-N 302.422 3.791 0 40 DHAB CCOC(=O)c1cnc2cc(Cl)ccc2c1Br 85386664 VZPRIBZDSIBRGA-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB COCc1csc(NC(=O)CCCSC(C)(C)C)n1 89694487 ULHBIISOUZLKSC-UHFFFAOYSA-N 302.465 3.540 0 40 DHAB C/C=C/CCN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 89729786 UCHKJMPOTZRYGG-ISZGNANSSA-N 308.853 3.633 0 40 DHAB Cc1cc(-c2noc([C@H]3CCCCN3)n2)cc(C)c1OC(C)C 95095402 OUQOQKHALJADRV-OAHLLOKOSA-N 315.417 3.955 0 40 DHAB O[C@@H](C[C@H]1CCCCCN1c1ncc(Cl)cn1)c1ccco1 95413062 HRZUTDOFVHJGGK-KGLIPLIRSA-N 321.808 3.596 0 40 DHAB COc1cc(C(=O)c2ccc(C)c(Cl)c2)cc(OC)c1OC 95916418 AZBWWULTJXIOKY-UHFFFAOYSA-N 320.772 3.905 0 40 DHAB COc1ccc([C@@H](N[C@@H]2C=CCCC2)C2CCOCC2)cc1 97230814 USFZEQPIOOKLGJ-IEBWSBKVSA-N 301.430 3.861 0 40 DHAB COc1ccc(OC)c([C@H](C)Nc2ccc3c(c2)CN(C)C3)c1 97232084 JVDDWOCWKHZALB-ZDUSSCGKSA-N 312.413 3.822 0 40 DHAB Cc1cc(CNCCc2cccnc2)cc(C)c1OC(F)F 97287656 FIBXTCHGQUIFNP-UHFFFAOYSA-N 306.356 3.632 0 40 DHAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H]1CCCSC1 97371191 IMQDRVVRPTXCGC-BXKDBHETSA-N 321.412 3.608 0 40 DHAB CCOc1cc(C(=O)Nc2c(CC)noc2C)cc(Cl)c1O 97377199 ZFNODSUZFQEYCC-UHFFFAOYSA-N 324.764 3.555 0 40 DHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1Cl 102222165 ZMOMTSYVMWLGBA-AVGNSLFASA-N 321.804 3.648 0 40 DHAB O[C@H]1[C@H]2[C@@H]3CC[C@@H]1[C@H]3C[C@H]2C(O)(c1ccccc1)c1ccccc1 102977525 XWSHAONUVZUKOY-OXZADQLBSA-N 320.432 3.576 0 40 DHAB Cc1cc([C@@H](C)NC(=O)NCc2nc(C)c(C)s2)c(C)s1 174978654 OCTNMTUAZGAYGA-SNVBAGLBSA-N 323.487 3.999 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(Cl)cc2F)c1 224045991 PPKDFUPDYDSDGF-UHFFFAOYSA-N 321.779 3.905 0 40 DHAB Cc1ccccc1OCCNC(=O)c1ccc(OC(C)C)cc1 224272747 KBQSQGVTJMGSKI-UHFFFAOYSA-N 313.397 3.591 0 40 DHAB Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc(F)cc1 224912848 OCECLUSUWAOBGD-UHFFFAOYSA-N 313.781 3.613 0 40 DHAB Fc1cc(Br)c2nc(Br)sc2c1 225308207 VJLZNQXXTDYODE-UHFFFAOYSA-N 310.973 3.960 0 40 DHAB C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 225471715 FXONCHOWACLTDK-SNVBAGLBSA-N 318.373 3.602 0 40 DHAB CCOc1cccc(C(=O)Nc2c(C)cc(N)cc2Cl)c1 226763173 LSOAOPCGIPWZDX-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CC[C@@H](Oc2cccc3cccnc23)C1 244955869 GCUVLOSREFPWGY-IAGOWNOFSA-N 322.408 3.571 0 40 DHAB Cc1ncsc1-c1ncccc1C(=O)Nc1ccc(F)cc1 257228242 FSZIPCLSOHCERR-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB C[C@]1(c2ccccc2)CC[C@H](NCc2ccc(C(=O)O)cc2)C1 263387089 DGWVTPPEWSGJRB-ICSRJNTNSA-N 309.409 3.985 0 40 DHAB CCc1ccccc1C(=O)[C@H](Br)CBr 382675206 NGWQFTDIUHWXHQ-SNVBAGLBSA-N 320.024 3.590 0 40 DHAB CC(=O)Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 408530736 QYAHHEYBSKLWKW-UHFFFAOYSA-N 306.321 3.861 0 40 DHAB Cc1ccc(OCCCNC(=O)c2cncc3ccccc23)cc1 504959447 LQHPHPZHCFKTGP-UHFFFAOYSA-N 320.392 3.742 0 40 DHAB CO[C@H]1CCCN(Cc2ncccc2C)[C@H]1Cc1ccccc1 643913717 DVODILUILMGSMB-PMACEKPBSA-N 310.441 3.612 0 40 DHAB O=c1oc2ccccc2n1CCCOc1ccc(Cl)cc1 2484935 LTWHKGDYYSWIAU-UHFFFAOYSA-N 303.745 3.717 0 40 DHAB COc1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1 3275488 PSHRCPGCGKMLRP-DHZHZOJOSA-N 301.773 3.678 0 40 DHAB Cc1ccc(C)c(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c1 3401188 RFTFUZDUQCDNAL-OAHLLOKOSA-N 311.381 3.512 0 40 DHAB CCOCc1c(C(=O)Nc2nccs2)oc2ccccc12 3547224 ICSJAHWEIOFOBD-UHFFFAOYSA-N 302.355 3.678 0 40 DHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 4301303 XUCBUVYVYSGRRX-XYJFISCASA-N 321.392 3.650 0 40 DHAB CCCC(=O)Nc1nnc(SCc2ccccc2F)s1 4328636 XEKKHGGVFKYFBH-UHFFFAOYSA-N 311.407 3.708 0 40 DHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NCc1cccs1 4550607 ANFMNRHZMCPBLU-UHFFFAOYSA-N 302.374 3.536 0 40 DHAB CC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C)cc21 5154225 QFRAKVYAIPWGCD-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB CC(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 5384804 VUIVLZZNWSBZIC-OAHLLOKOSA-N 322.408 3.802 0 40 DHAB Cc1nc(SCc2nnc(C)o2)c2c(C)c(C)sc2n1 5428753 KNWXDNHNQDAULB-UHFFFAOYSA-N 306.416 3.600 0 40 DHAB COCCNC(=S)Nc1ccc(Oc2ccc(C)cc2)cc1 6335317 UOSPLRDAFVQBFC-UHFFFAOYSA-N 316.426 3.720 0 40 DHAB O=C(CSC1=NCCS1)Nc1ccc(Cl)cc1Cl 6862898 PCGMIMQGJNUKIY-UHFFFAOYSA-N 321.254 3.768 0 40 DHAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nnc(C2CC2)s1 6904441 KIVWHAKBYICRTH-UHFFFAOYSA-N 317.458 3.961 0 40 DHAB CCCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 7262358 HQJDHVIZUAZOLH-UHFFFAOYSA-N 303.377 3.913 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)Oc1ccc2c(c1)OCO2 7658417 BZXUQQBCYXLAKD-UHFFFAOYSA-N 323.304 3.598 0 40 DHAB CCCOc1ccccc1C(=O)Nc1ccc(C(=O)OC)cc1 8560971 NBSISPREPUEORW-UHFFFAOYSA-N 313.353 3.514 0 40 DHAB Cc1cccc(Nc2ccccc2C(=O)N2CCOCC2)c1C 8708851 CHAWAIKSIVBBNF-UHFFFAOYSA-N 310.397 3.519 0 40 DHAB CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C)c1 9458596 NEOASTXNXSCGGX-UHFFFAOYSA-N 302.761 3.859 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(NC(=O)c2ccco2)c1 11361228 PMFOLQLPTWZHFR-CYBMUJFWSA-N 310.353 3.827 0 40 DHAB CC(C)Cn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 11667317 WYUVNCRKKPTETM-CYBMUJFWSA-N 311.385 3.776 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)s1 12435586 MVRGFTUDUVIQNP-UHFFFAOYSA-N 300.383 3.657 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N 12719847 WTKFUDDFHUANII-VEESUUTBSA-N 302.462 3.625 0 40 DHAB CSc1nc(N2CCC(C)CC2)cc(N2CCC(C)CC2)n1 12730401 NGINLNTXHQRXHX-UHFFFAOYSA-N 320.506 3.671 0 40 DHAB Cc1nc2cc(NC(=O)COc3cccc(C)c3C)ccc2o1 12735887 POJJIPAZYNEINK-UHFFFAOYSA-N 310.353 3.771 0 40 DHAB COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)Nc2ncnn21 13127463 LMXKCNNGJAXAPZ-SJORKVTESA-N 320.396 3.741 0 40 DHAB COc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Nc2ncnn21 13127540 NHQDZHCDOHTKCQ-HZPDHXFCSA-N 324.359 3.572 0 40 DHAB Cc1ccc(C)c2[nH]c(=O)c(CNCc3cccc(F)c3)cc12 13998585 WDNWHAODXINPBJ-UHFFFAOYSA-N 310.372 3.574 0 40 DHAB CCCCCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1 16637820 HFUORWPIMJGOBY-UHFFFAOYSA-N 305.403 3.774 0 40 DHAB Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(C)c(C)c1C 16780071 OLBITISXENOUQD-ZBEGNZNMSA-N 309.475 3.777 0 40 DHAB CCOC(=O)c1ccc(OCCOc2ccc(C)cc2)cc1 18194864 FHPUHQDCDPPLBW-UHFFFAOYSA-N 300.354 3.630 0 40 DHAB S=C(NC1CC1)N1CCc2sccc2[C@H]1c1cccs1 18945645 WPFXKKMYSNTDFH-AWEZNQCLSA-N 320.508 3.794 0 40 DHAB Cc1ccc(CN(C)C(=O)COc2ccc(Cl)c(C)c2)cc1 20111173 MQBKDBOOYCBERA-UHFFFAOYSA-N 317.816 3.994 0 40 DHAB CN(C)CCNCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 20548458 SJTZTKSEPKJZMN-RBUKOAKNSA-N 318.505 3.517 0 40 DHAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)C2CCC2)cc1 28574754 WXGNCHCQGUHZJK-UHFFFAOYSA-N 323.318 3.938 0 40 DHAB Cc1nc(-c2cccnc2)sc1C(=O)N(C)C1CCCCC1 31864693 PJOQPKZXZIMVDK-UHFFFAOYSA-N 315.442 3.918 0 40 DHAB CC(C)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 32794805 KNAKEHHULLVPCL-HNNXBMFYSA-N 306.406 3.932 0 40 DHAB COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2cccs2)c1 32924145 LBULHVGELWKPBA-QWHCGFSZSA-N 319.426 3.539 0 40 DHAB CCc1ccccc1N[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 36635476 GNOKBWPIEYQXKX-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB Cc1cccc(Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1C 36674534 GSLHARLQTGTLNV-MRXNPFEDSA-N 324.424 3.956 0 40 DHAB Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)n1 37859005 HDCJGWBYBBLTDR-XNTDXEJSSA-N 310.378 3.627 0 40 DHAB O[C@@H](CNCc1c(F)cccc1Cl)c1ccc(F)cc1F 40088606 SEVIHQXFPVWORK-HNNXBMFYSA-N 315.722 3.581 0 40 DHAB Cc1cccc(N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 40161220 SVQPHXNIAVOCIS-IAGOWNOFSA-N 310.441 3.933 0 40 DHAB Cc1noc(C2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1 53618265 GIXNMWGCYVLLAO-LLVKDONJSA-N 305.809 3.972 0 40 DHAB CCOC(=O)c1cc(Br)cc(Cl)c1OCC 57332037 RCAWPAQKYRRCGY-UHFFFAOYSA-N 307.571 3.678 0 40 DHAB O=C(CSC[C@@H](O)c1ccccc1)c1c[nH]c2ccccc12 58429898 VJDINQZILYHPER-QGZVFWFLSA-N 311.406 3.817 0 40 DHAB CC[C@@H](c1ccccc1)N(CC)C(=O)Cc1c(C)nn(C)c1C 71800853 BOACVZZTEQLWKI-SFHVURJKSA-N 313.445 3.579 0 40 DHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCCCC[C@@H]1c1ccncc1 71835002 HGUZONOSXCKJFL-GVDBMIGSSA-N 310.397 3.922 0 40 DHAB CCN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214334 RPINRFQTDFVSEE-CQSZACIVSA-N 305.422 3.976 0 40 DHAB Cc1c(C(=O)Nc2cc(-c3ccncc3)n[nH]2)oc2ccccc12 72255963 JEYQZXQPIKWHKU-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB C[C@@H]1Cc2ccc(F)cc2CN1C(=O)Nc1cccc(F)c1 72291902 AIZSKNAICNQEIP-LLVKDONJSA-N 302.324 3.944 0 40 DHAB CCO[C@H]1C[C@@H](NC(=O)c2sc(C)cc2OC)C12CCCC2 72303474 LCJQZXDRXVBNQO-KGLIPLIRSA-N 323.458 3.533 0 40 DHAB CCC(C)(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1 72913285 CIQZFGUNDWAGJN-UHFFFAOYSA-N 310.444 3.632 0 40 DHAB O=[S@@](Cc1cccc(Cl)c1)Cc1cccc2c1OCCO2 84367803 AIMGUQBVQANIMR-OAQYLSRUSA-N 322.813 3.560 0 40 DHAB N#CN(Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 84648515 GPRSDOSAUXICHV-UHFFFAOYSA-N 314.392 3.849 0 40 DHAB CC1(C)OC[C@H](CCOC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)O1 84673832 BGHRKSKSXNPMNS-RRFJBIMHSA-N 324.804 3.528 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=O)CN(CC2CCCCC2)C2CC2)C1 84686221 BQYGAOQMYHGSMX-HOTGVXAUSA-N 306.494 3.536 0 40 DHAB CCCc1nc(CNc2ccc(C(=O)N(C)C)c(C)c2)cs1 86210390 MGPHBCFVSUDMKC-UHFFFAOYSA-N 317.458 3.718 0 40 DHAB CCc1nc(N)sc1-c1nc(-c2ccc(C)cc2C)no1 89263123 JHOZXEHHURPFSJ-UHFFFAOYSA-N 300.387 3.622 0 40 DHAB CCn1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cn1 89305732 OLYYRXKDIKMNKU-LBPRGKRZSA-N 320.462 3.625 0 40 DHAB COc1cc(F)c(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1F 89420805 ANFYUCZNGVZKMP-IINYFYTJSA-N 310.344 3.770 0 40 DHAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 89669396 DMQJDKSIQNETFL-QZHFEQFPSA-N 321.420 3.779 0 40 DHAB O=C(NCc1ccccn1)[C@@H]1C[C@H]1c1cccc2ccccc12 89873203 MJZPHCHYUDKFQM-RBUKOAKNSA-N 302.377 3.655 0 40 DHAB COc1ccccc1-c1cnc(Cn2ccc(C(F)(F)F)n2)o1 95410504 MGUNPQMVYZQFHE-UHFFFAOYSA-N 323.274 3.614 0 40 DHAB Clc1ccc(Br)cc1CNCc1cscn1 95425765 GSGXDJBVSGRCTM-UHFFFAOYSA-N 317.639 3.849 0 40 DHAB C[S@](=O)Cc1cccc(NCc2cnc(C(C)(C)C)s2)c1 95429156 QYOYXIVNMDQWHF-OAQYLSRUSA-N 322.499 3.931 0 40 DHAB O=C(NC[C@H]1CCC[C@@H]1O)N(c1ccccc1)c1ccccc1 96007711 UHTNTONQGBPWSW-QAPCUYQASA-N 310.397 3.695 0 40 DHAB CC(C)N(C)Cc1cncc2c1CCN(Cc1cccs1)C2 96189463 UVZMKQVQUJGSBY-UHFFFAOYSA-N 315.486 3.542 0 40 DHAB CC(C)CNC(=O)Nc1cccc(CSC2CCOCC2)c1 96407998 ILKAUKPSDSHJDX-UHFFFAOYSA-N 322.474 3.876 0 40 DHAB COCc1ccccc1NC1CCN(C(=O)CC(C)(C)C)CC1 97232040 BCLGFJKOFOCYCL-UHFFFAOYSA-N 318.461 3.672 0 40 DHAB Cc1ccc(C2=C[C@H](c3ccccc3F)n3ncnc3N2)cc1 102046571 FERRGGSRHKDACM-QGZVFWFLSA-N 306.344 3.782 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c(C)c1 113959477 JHEPPWXVEYCMNK-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 129299074 RNMMDKKKUKGXIF-UHFFFAOYSA-N 304.434 3.536 0 40 DHAB O=C(Nc1ccccc1O)c1ccc(COc2ccccc2)o1 198119185 LCIPYGUWBBPTMU-UHFFFAOYSA-N 309.321 3.817 0 40 DHAB CCOC(=O)c1cccc(NC(=O)NC2CCCCC2)c1C 225755371 KGCFQOQBJQCMAF-UHFFFAOYSA-N 304.390 3.626 0 40 DHAB COC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225789846 KIYCZCNEQQOHOB-UHFFFAOYSA-N 301.386 3.991 0 40 DHAB CC[C@H](C)NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225826985 AVKHLZLGWHMPDO-ZDUSSCGKSA-N 323.396 3.737 0 40 DHAB Oc1ccc(Cl)cc1NC(=S)NCCCc1ccccc1 243961841 SAUPXRAVUBLLQY-UHFFFAOYSA-N 320.845 3.965 0 40 DHAB CCCn1c(NC(=O)c2ccc(F)s2)nc2ccccc21 252508008 WZXBLTJBUDKGGK-UHFFFAOYSA-N 303.362 3.899 0 40 DHAB Cc1cc(Cl)cc(=O)n1Cc1cccc(C(F)(F)F)c1 257197845 KTOCNDKUCBBHIY-UHFFFAOYSA-N 301.695 3.877 0 40 DHAB CCc1nc(COc2cc(C)ccc2C)sc1C(=O)OC 334161032 RNAGLQJCOSPPEM-UHFFFAOYSA-N 305.399 3.688 0 40 DHAB O=C(/C=C/c1ccco1)NCCc1ccc(-c2ccoc2)s1 390831635 SZWXLTKYBRLRLZ-ZZXKWVIFSA-N 313.378 3.973 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1c(F)cccc1F 408703467 SFDPNJFKCCSPEJ-HNNXBMFYSA-N 321.323 3.770 0 40 DHAB O=C(NC(=S)c1cccnc1)Nc1ccc2ccccc2c1 408731944 NPFZSAYYCIFHFM-UHFFFAOYSA-N 307.378 3.732 0 40 DHAB CC1(C)C[C@@H](c2nc(-c3ccccn3)no2)c2ccccc2O1 516959756 QILSNDXEDRNJQP-CYBMUJFWSA-N 307.353 3.825 0 40 DHAB O=C(NCc1ccc(F)cc1)NCc1ccc(-c2ccoc2)o1 575610501 OSOGTJAGIYCCFB-UHFFFAOYSA-N 314.316 3.678 0 40 DHAB O=C(O)[C@H](NCc1cnc(C2CC2)s1)c1cccc(Cl)c1 578979752 VRNVGZWDTZSYBX-CYBMUJFWSA-N 322.817 3.589 0 40 DHAB O=C(N[C@H]1CC[C@@H](c2ccccc2F)C1)c1ncoc1C1CC1 585139765 XADDGLJLRSHWOU-OLZOCXBDSA-N 314.360 3.757 0 40 DHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F 650599541 TWSJWZPFEVUMKX-UHFFFAOYSA-N 319.273 3.967 0 40 DHAB COc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1C 516116 WXXQOXFUBYKIOG-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccccc1 807593 ZPUKJYHVXHPTQB-AWEZNQCLSA-N 321.376 3.915 0 40 DHAB CC1(C)CC(Nc2cc(-c3ccccc3)ncn2)CC(C)(C)N1 1286850 ZTBCHYWSZBARCR-UHFFFAOYSA-N 310.445 3.865 0 40 DHAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CC1 1518424 BVXCQJOVCBCPRI-UHFFFAOYSA-N 323.215 3.921 0 40 DHAB CCCCOc1ccc(C(=O)O[C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 3902194 RIKXLROQYQSOHV-MPGHIAIKSA-N 319.445 3.751 0 40 DHAB Cc1nn(C(=O)[C@@H]2C[C@@H]2c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 4029158 KJKVXVAFPCPJHR-ATNYBXOESA-N 306.409 3.931 0 40 DHAB biogenic Cc1ccc(C)c(NC(=O)Cn2cc(C=O)c3ccccc32)c1 4245447 BXMPYEGORRSOKG-UHFFFAOYSA-N 306.365 3.709 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(F)cc1F 6343079 IJLGZRIWLRYGDU-UHFFFAOYSA-N 308.284 3.966 0 40 DHAB Cc1ccc(C(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 6415350 BTLVVOBUKBEXJX-VHEBQXMUSA-N 310.422 3.906 0 40 DHAB Cc1cccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 6504348 JJLKFPOACBEOHK-UHFFFAOYSA-N 323.436 3.855 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)s1 6858608 XQDJZUHNLFTFLI-UHFFFAOYSA-N 307.440 3.736 0 40 DHAB COc1ccc(NC(=O)Cn2c(C)cc3ccccc32)c(OC)c1 6964438 MEJIMBGZJFUSMS-UHFFFAOYSA-N 324.380 3.606 0 40 DHAB CCOc1ccc(OCC)c(NC(=O)c2ccc(F)cc2)c1 7791713 MHQXNALMGTYLOI-UHFFFAOYSA-N 303.333 3.875 0 40 DHAB CC(C)(Sc1ccccc1NC(=O)C1CCCC1)C(=O)O 8732956 OVUWKWJSBSOCBH-UHFFFAOYSA-N 307.415 3.771 0 40 DHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(C)ccc1C 8735245 GQFIVADTKJEYHF-UHFFFAOYSA-N 320.392 3.759 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2cccs2)c1 8987254 PRPUGFLMFGSLMT-GFCCVEGCSA-N 319.426 3.575 0 40 DHAB CCOc1cccc2sc(N(Cc3ccco3)C(C)=O)nc12 10527381 GLLKHBOYKIELGQ-UHFFFAOYSA-N 316.382 3.841 0 40 DHAB Cc1cnc(NC(=O)CCC(=O)c2ccc(Cl)s2)s1 10627878 QCEJXOWPSQNYBA-UHFFFAOYSA-N 314.819 3.768 0 40 DHAB CCOc1ccc(CC(=O)Nc2cccc3cccnc23)cc1 10780123 HLPJQZMUZKTVTN-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB Cc1cc(C)c(NCc2cc(=O)n3ccsc3n2)c(Cl)c1 11723302 ISXGSTJZWVHFBX-UHFFFAOYSA-N 319.817 3.638 0 40 DHAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(F)cc1 12111630 BZIXPQBJBGYBSO-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1cnc2ccc(F)cc2c1O 12388912 ODGFLPMHQHTNBD-UHFFFAOYSA-N 324.311 3.534 0 40 DHAB CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2ccsc21 12411308 DPEZIVKUYLCPFZ-LLVKDONJSA-N 303.383 3.630 0 40 DHAB CCC(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cs1 12441677 LUBBWMNWGUTKFP-UHFFFAOYSA-N 312.398 3.653 0 40 DHAB CN1O[C@H](COC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 12949919 WMPYXEVAXFMACV-IRXDYDNUSA-N 312.369 3.612 0 40 DHAB O=C1CC[C@H]2c3[nH]c4ccccc4c3[C@H](c3ccccc3)CN12 14083583 LPTQRJZQGNFWNT-RDJZCZTQSA-N 302.377 3.977 0 40 DHAB CCCC[C@@]1(C)N=C(O)c2c(C)sc(C(=O)OCC)c2N1 17113152 ZWQSKLZHURAMLP-OAHLLOKOSA-N 310.419 3.870 0 40 DHAB O=C(CCc1ccncc1)Nc1ccccc1CN1CCCCC1 19349082 HOONOXMXQFXUMS-UHFFFAOYSA-N 323.440 3.639 0 40 DHAB COc1cccc(C(=O)Nc2cccc3ncccc23)c1OC 20730971 CYDZGJKCDYZRKG-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccccn1 20799247 WEHCZRXYJCIIDP-UHFFFAOYSA-N 313.360 3.507 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccn(Cc2ccccc2)n1 27915381 GDGHBHKDXSDMKF-VAWYXSNFSA-N 303.365 3.583 0 40 DHAB O=C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Cl 28226749 UNSSUYNRQUZYIA-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 29145555 HAZSGCHUQQSVLN-LBPRGKRZSA-N 319.788 3.892 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)CCC4)[nH]c2c1 32759387 KSGFMXCNNZVQJC-UHFFFAOYSA-N 306.365 3.918 0 40 DHAB Cn1c(Cl)cnc1COC(=O)c1ccc2ccccc2c1 32860233 SJHORRSHKGSMHY-UHFFFAOYSA-N 300.745 3.584 0 40 DHAB C[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)s1 37020895 BHJSUOSPYWNLPB-CMPLNLGQSA-N 308.834 3.669 0 40 DHAB Cc1cc(C(F)(F)F)nn1-c1cccc(Br)c1 39175273 XECLHFHMHXWCQO-UHFFFAOYSA-N 305.097 3.962 0 40 DHAB CCCC[C@H](C(=O)C(=O)Nc1ccc(C)cc1C)C(=O)C(C)C 39943595 VWDXFLXWWZRUOG-HNNXBMFYSA-N 317.429 3.843 0 40 DHAB Cc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1F 40515686 ZVQPNJPSXMRFMI-UHFFFAOYSA-N 305.353 3.602 0 40 DHAB CC(C)(C)c1nc(CN(Cc2ccco2)C2CCCC2)no1 48260757 BNOUMSBBGCXTSA-UHFFFAOYSA-N 303.406 3.905 0 40 DHAB O=C(OCc1nccs1)c1csc(-c2ccccc2)n1 49014879 UPFKBSNOSUMKRN-UHFFFAOYSA-N 302.380 3.624 0 40 DHAB COCCn1cc(C(=O)Nc2ccc(F)cc2)c2ccccc21 57427075 ABRBTIWKFIFECA-UHFFFAOYSA-N 312.344 3.679 0 40 DHAB CCOCCCC(=O)Nc1nc(-c2cc(C)oc2C)cs1 58196827 PSRLOUNTNYIVII-UHFFFAOYSA-N 308.403 3.775 0 40 DHAB CC(C)[C@H](C)NC(=O)Nc1cccc(OCc2cscn2)c1 58326718 FJFHLISXWUOASZ-LBPRGKRZSA-N 319.430 3.888 0 40 DHAB C[C@@H](Nc1ccc2ccccc2n1)c1ccc2c(c1)NC(=O)CO2 69153684 JEOQLVCQSPRPGB-GFCCVEGCSA-N 319.364 3.739 0 40 DHAB Cc1cc(Cl)ncc1C(=O)CCCNC(=O)OC(C)(C)C 72217824 ZTJNXZCFIDXSTP-UHFFFAOYSA-N 312.797 3.531 0 40 DHAB CCCc1nc(C)c(C(=O)Nc2cc(CSC)ccn2)s1 75141006 SHITXJFLRHPHRJ-UHFFFAOYSA-N 321.471 3.914 0 40 DHAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1csc(C2CC2)n1 76999377 ZOYPOFLUAACJSW-HZPDHXFCSA-N 312.438 3.749 0 40 DHAB Cc1ccc(SC[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1 79440782 IXQNNZZTKFQDQU-ZDUSSCGKSA-N 308.447 3.882 0 40 DHAB Cc1csc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1 84271307 QBBXCMPHSTUDGA-AWEZNQCLSA-N 318.467 3.907 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1cnoc1-c1ccco1 84432832 CEAOWGKUQOSCTQ-UHFFFAOYSA-N 306.680 3.979 0 40 DHAB CC(C)(C)C(=O)Nc1cnn(Cc2ncc(-c3ccccc3)o2)c1 89127456 WLSSMUOPHKLWFO-UHFFFAOYSA-N 324.384 3.571 0 40 DHAB CCc1ccccc1NC(=O)C[C@H](C)NCc1ccsc1 89289567 BBYWKWKILHRDLS-ZDUSSCGKSA-N 302.443 3.817 0 40 DHAB COCc1c(Cl)cccc1NC(=O)[C@H]1C[C@H]1c1ccco1 89420299 VTCOKHMRVUOUKP-MNOVXSKESA-N 305.761 3.822 0 40 DHAB Cc1cc(N(C)Cc2nc(-c3ccccc3)c[nH]2)nc(C2CC2)n1 95966901 RLAYSVCFZFDFJE-UHFFFAOYSA-N 319.412 3.689 0 40 DHAB C[C@@H](Cc1ccsc1)NCCc1nc(C(F)(F)F)cs1 96478844 OOVQIFIQHMMVOT-VIFPVBQESA-N 320.405 3.987 0 40 DHAB Cc1cc(C)c(NC(=O)c2oc3c(c2C)C(=O)CCC3)c(C)n1 97366451 BJDZFSCBTBMFNP-UHFFFAOYSA-N 312.369 3.680 0 40 DHAB CC(C)CN(C(=O)CN[C@H](C)c1ccc(Cl)cc1)C1CC1 97473787 SNXJSYNOJBODBX-CYBMUJFWSA-N 308.853 3.638 0 40 DHAB O=C(O)N(CCc1c[nH]c2ccc(O)cc12)Cc1ccccc1 199619065 SNANHIFEUBZVET-UHFFFAOYSA-N 310.353 3.596 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1 218808573 XWBGXJWFJJFVOM-KRWDZBQOSA-N 311.425 3.738 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(OC)c(Cl)c2)cc1C 222959979 FJHWZDMHQCANTE-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB COc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1Cl 224095865 DYTVJQNRLSAHTN-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB COC(=O)c1ccc(C)c(NC(=S)NC2CCCCCC2)c1 225353276 CWJBXXWOFUYZBF-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C)cc1 225580043 FQFICCXELUFNRS-KRWDZBQOSA-N 319.518 3.936 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)NCCC1=CCCCC1 225827958 HVBQMDQJWZSFSM-UHFFFAOYSA-N 313.441 3.951 0 40 DHAB Clc1nccc2oc(CNCc3noc4c3CCCC4)cc12 585136535 JWVUTBCOBCYKDG-UHFFFAOYSA-N 317.776 3.638 0 40 DHAB Cc1c[nH]c2ccc(NC(=O)c3c(C4CCC4)cnn3C)cc12 952994904 ZKWPGGNUGHHJGW-UHFFFAOYSA-N 308.385 3.730 0 40 DHAB COc1nc(Cl)c(-c2ccccc2)n(-c2ccccc2)c1=O 1406029 BHMWDIHZQQHSNP-UHFFFAOYSA-N 312.756 3.562 0 40 DHAB CCOC(=O)CCCCCCC(=O)c1cc(OC)cc(OC)c1 2580444 LLZWCIOKNVKQHV-UHFFFAOYSA-N 322.401 3.790 0 40 DHAB COc1ccc(NC(=O)CNc2cccc3c2CCCC3)cc1 3261702 UGNFPBBLBRNQFN-UHFFFAOYSA-N 310.397 3.625 0 40 DHAB CC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3306512 OFNXKWNSFVCNNF-LLVKDONJSA-N 313.426 3.924 0 40 DHAB O=C1c2ccccc2-c2nn(C(=O)c3ccco3)c3cccc1c23 3646892 ZERSKUJMTJKMGD-UHFFFAOYSA-N 314.300 3.529 0 40 DHAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1 4033520 MBTCJPBMZDVGJH-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB CCc1ccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1 4062602 AKGSPLGLTXPFQF-UHFFFAOYSA-N 320.392 3.871 0 40 DHAB COc1ccccc1NC(=O)c1ccc(Br)cc1F 4070172 AJIRODPLGDYPTG-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)C1CC1 4176290 RIMVNGIWSLFHJI-UHFFFAOYSA-N 301.367 3.550 0 40 DHAB CC(C)(C)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O 4320279 JTQRBGJBVDYTOY-UHFFFAOYSA-N 321.380 3.575 0 40 DHAB O=c1cc(-c2ccccc2)nc(SCCc2ccccc2)[nH]1 5154875 ATXLKFKUPVDOQT-UHFFFAOYSA-N 308.406 3.772 0 40 DHAB COC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 5576657 AKZSPDATZNMKQG-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB CCOc1ccc(-c2nnc(S)n2Cc2ccccc2)cc1 5906669 GBHZFUVNXPAEKT-UHFFFAOYSA-N 311.410 3.681 0 40 DHAB Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1)S[C@H](C)C(=O)N2 6678488 FFGOKLQQCUJGBX-PELKAZGASA-N 307.806 3.535 0 40 DHAB O=C(CSCc1ccc(F)cc1)Nc1ccc(F)c(F)c1 7146562 DHQBDLUKNKHDIA-UHFFFAOYSA-N 311.328 3.976 0 40 DHAB O=C1c2ccccc2N[C@@]2(CCSC2)N1Cc1ccccc1 8391749 LZRQSUBBHKVETQ-SFHVURJKSA-N 310.422 3.588 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)nc(Cl)n1 8754458 VYVJXEWNXHNBAX-UHFFFAOYSA-N 320.538 3.828 0 40 DHAB CSc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 8945878 AHNZZEDQUVBETI-UHFFFAOYSA-N 311.362 3.767 0 40 DHAB O=c1c2ccc(F)cc2ncn1Cc1ccc(C(F)(F)F)cc1 9112836 GOYRAWFUGUSAJT-UHFFFAOYSA-N 322.261 3.603 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=O)cc1C 9235944 LMZSVPORYUFDJX-UHFFFAOYSA-N 317.772 3.787 0 40 DHAB Cc1ccc(CCC(=O)Nc2nnc(C3CC3)s2)c(C)c1 9515337 ZIXXUPJGSQUNFM-UHFFFAOYSA-N 301.415 3.604 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3ccccc3Cl)cc2c1 12493280 PQYFQWXIZAYFMH-UHFFFAOYSA-N 314.772 3.802 0 40 DHAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1ccccc1 12778390 YIWRFNOYGBFTJC-OAHLLOKOSA-N 321.829 3.866 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1c(F)cccc1Cl 13039460 KGBOSXQFMBQEKK-LBPRGKRZSA-N 320.795 3.938 0 40 DHAB CCCOc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 18074943 YOYNJBWEGMNIKD-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccccc1 19589296 MDACLNKTNZNJQW-NJDAHSKKSA-N 324.443 3.888 0 40 DHAB COc1ccc([C@@H](C)NC(=O)COc2c(C)cccc2C)cc1 20025493 OQJILSDDCYZNDX-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB Cc1cccc(C)c1OCC(=O)OCc1nc2ccccc2o1 21335961 UCMGRPJVIDUXED-UHFFFAOYSA-N 311.337 3.567 0 40 DHAB O=C(CCc1ccccc1O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 23387220 PGSKNOHOLBQFGT-CHWSQXEVSA-N 315.335 3.562 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1F 24836307 ZIOGJSYZVNQQSQ-CQSZACIVSA-N 300.377 3.646 0 40 DHAB CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 25767290 VKXRXEHRRZIMSX-KRWDZBQOSA-N 303.427 3.503 0 40 DHAB CC(C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27663859 ICKYHCQGJAIDLH-INIZCTEOSA-N 308.853 3.639 0 40 DHAB CC[C@@H](NC(=O)c1nn(CC)cc1Cl)c1ccc(C)cc1 28237683 FJFFNODTDZUECO-CQSZACIVSA-N 305.809 3.746 0 40 DHAB C[C@H]1CCc2sc(C(=O)N[C@@H](C)c3ccccn3)cc2C1 28780157 QPLWGYZUPXUCSR-RYUDHWBXSA-N 300.427 3.759 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 29278490 XOKRQISIPNGKAA-UHFFFAOYSA-N 307.353 3.728 0 40 DHAB c1ccc(CC2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 29926021 QQJLOXKEJXVZPB-UHFFFAOYSA-N 323.396 3.784 0 40 DHAB O=C(NCc1cccs1)c1cnn(-c2ccccc2)c1C1CC1 30551779 VROKUJLHHMKYHE-UHFFFAOYSA-N 323.421 3.741 0 40 DHAB COc1c(C)cccc1C(=O)Nc1nc2c(s1)CCCCC2 30952682 BRSLFCMVHKAZRL-UHFFFAOYSA-N 316.426 3.981 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cn1 31393562 CFBKQFSMTSACMJ-OAHLLOKOSA-N 323.421 3.977 0 40 DHAB CC(=O)Oc1ccc2c(=O)c(-c3ccccc3F)coc2c1C 32634064 DBTGZSLTZWRNQB-UHFFFAOYSA-N 312.296 3.833 0 40 DHAB biogenic Cc1nc(-c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)co1 32776579 YDIJSZVUIJAYRS-UHFFFAOYSA-N 321.380 3.968 0 40 DHAB Cc1cc(C(=O)NCc2csc(Br)c2)c(C)o1 40090945 VJMVKQUMFAIBQP-UHFFFAOYSA-N 314.204 3.650 0 40 DHAB CCOc1ncccc1NC(=O)N1CCC[C@H]1c1cccs1 40121128 UAFXLLPSENRFJC-ZDUSSCGKSA-N 317.414 3.911 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc(OC(C)C)cc2)cc1 44818698 LSEAFBQDLNPZGQ-UHFFFAOYSA-N 313.397 3.755 0 40 DHAB Cc1cc(Br)c2nc(C3CC3)cc(C(=O)O)c2c1 62151999 PZCQWAVHIUBLHU-UHFFFAOYSA-N 306.159 3.881 0 40 DHAB CCCN(CC1CC1)S(=O)(=O)c1c(C)c(C)cc(C)c1C 65592879 BHRUGZPULUSVJN-UHFFFAOYSA-N 309.475 3.731 0 40 DHAB CC(C)c1nccn1[C@H]1CCCN(C(=O)c2ccsc2)C1 69947127 VTGLAPMDVOEJEY-AWEZNQCLSA-N 303.431 3.545 0 40 DHAB Cc1noc2ncc(-c3nnc(C(C)(C)c4ccccc4)o3)cc12 71889555 MCCPIIKFONZXRG-UHFFFAOYSA-N 320.352 3.907 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 72232501 ZWDAWRYPPLAOTD-OAHLLOKOSA-N 318.417 3.887 0 40 DHAB C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccccc2O)C1 79050021 WGONLIGRCSWPNG-FQEVSTJZSA-N 309.409 3.877 0 40 DHAB Cc1nc(S)sc1CC(=O)N(C)[C@@H](C)c1cccs1 84064556 NVOZCMBJQWSYJM-VIFPVBQESA-N 312.485 3.564 0 40 DHAB CCCN1C(=O)CCc2cc(NCc3ccc(C)cn3)ccc21 91069448 REIZELHEJCPISY-UHFFFAOYSA-N 309.413 3.691 0 40 DHAB Cc1cccc(CN(Cc2cccc(C)n2)Cc2cccn2C)n1 91894221 HQYHHZTTZGMDCX-UHFFFAOYSA-N 320.440 3.634 0 40 DHAB CC(C)C[C@@H](CN)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 94696945 GRANSQCOQUDLNC-QWRGUYRKSA-N 317.260 3.792 0 40 DHAB CCO[C@@H]1C[C@H](Nc2ccc(NC(=O)CC)cc2)C12CCC2 95961156 MTMRVEGUKIDVNP-JKSUJKDBSA-N 302.418 3.795 0 40 DHAB Cc1ccccc1NC(=O)N(Cc1ccco1)C1CCOCC1 96025040 NHRZAGSKQMFJIO-UHFFFAOYSA-N 314.385 3.801 0 40 DHAB CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2C2CCCC2)s1 96454212 RPRAFKROIPYZMX-GXTWGEPZSA-N 322.474 3.954 0 40 DHAB Cc1c(NCc2ccc(CO)o2)cnn1-c1cccc(Cl)c1 97047080 RWPBJHHFIHQKDG-UHFFFAOYSA-N 317.776 3.532 0 40 DHAB CC(C)(C)OC(=O)n1cc(O)c2ccc(Br)cc21 100224550 RRTDNWXJGVXSHG-UHFFFAOYSA-N 312.163 3.893 0 40 DHAB CCC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 100790083 KHBKTDJNVWPIOM-JOCBIADPSA-N 307.393 3.643 0 40 DHAB O=C(O)/C(=C/c1ccccc1O)Sc1nc2ccccc2o1 208842072 OUVCYFLPBBDLJM-ZROIWOOFSA-N 313.334 3.751 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1 216332831 AAOJSZVDHLSRBM-GOSISDBHSA-N 315.388 3.732 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1 216332878 AAOJSZVDHLSRBM-SFHVURJKSA-N 315.388 3.732 0 40 DHAB CC[C@H](NC(=O)c1cccc(OC)c1)c1ccc(OC)c(C)c1 225205756 KFALAAOGLQRVSH-KRWDZBQOSA-N 313.397 3.893 0 40 DHAB COCCC1(NC(=S)Nc2cc(C)ccc2C)CCCC1 225842278 HCRGIUPRNFNKHN-UHFFFAOYSA-N 306.475 3.939 0 40 DHAB O=C(NCc1cccc2ccccc12)c1ccc2c(c1)OCCO2 302769195 VSOPYGYIWJVDCW-UHFFFAOYSA-N 319.360 3.541 0 40 DHAB Cc1cccc2c1CC[C@H]2NC(=O)c1cnc(O)c2ccccc12 526048716 PKQAGKQCCOTLFC-GOSISDBHSA-N 318.376 3.666 0 40 DHAB Cc1cc(C(=O)N2CC[C@@H](n3c(C)nc4ccccc43)C2)c(C)o1 575614939 AHSVUMJFFVIITK-OAHLLOKOSA-N 323.396 3.642 0 40 DHAB Clc1ncnc2scc([C@H]3COc4ccccc4O3)c12 93052 BYXYOOUBQILWGZ-LLVKDONJSA-N 304.758 3.857 0 40 DHAB O=C(CC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 118209 KCSXEUZSBIFICB-UHFFFAOYSA-N 307.271 3.917 0 40 DHAB Cc1ccc2oc(-c3ccccc3)c/c(=N\CCN(C)C)c2c1 148579 LTFLDNSWLQKREC-DYTRJAOYSA-N 306.409 3.871 0 40 DHAB Cc1ccc(C(=O)CSc2ccccc2C(=O)O)c(C)c1 240052 WZUUQBIWZHAHJM-UHFFFAOYSA-N 300.379 3.977 0 40 DHAB O[C@@H](COc1cccc2ccccc12)Cn1cnc2ccccc21 243044 FWMVJSKYEPWDQG-MRXNPFEDSA-N 318.376 3.629 0 40 DHAB COc1cc(NC(=O)Cc2cccs2)c(OC)cc1Cl 434776 FOGLQEUDCIATOD-UHFFFAOYSA-N 311.790 3.600 0 40 DHAB O=C1c2cccc(Cl)c2C(=O)N1c1ccc(F)c(Cl)c1 482636 UKGGWYKAGNAFHW-UHFFFAOYSA-N 310.111 3.933 0 40 DHAB COc1ccc2[nH]c3c(N4CCCC(C)(C)C4)ncnc3c2c1 525974 SWELHKRMLMQOSI-UHFFFAOYSA-N 310.401 3.746 0 40 DHAB biogenic CCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 530510 FOPSPFYYHOSVTB-HNNXBMFYSA-N 319.408 3.885 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 1381789 XELFYQAYBIJOQM-UHFFFAOYSA-N 320.179 3.800 0 40 DHAB C[C@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1456777 VNTNOLGODDWLEJ-YOEHRIQHSA-N 320.864 3.677 0 40 DHAB O=C(O)c1ccc(OCc2ccccc2)c(Br)c1 1746157 LLEJAZSHLCCNNV-UHFFFAOYSA-N 307.143 3.726 0 40 DHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2Cl)c1 1943750 HTVZEMBBEDCDFX-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CCOC(=O)c1ccccc1C(=O)CCc1ccccc1OC 2516450 LLJOVRCTGIFDQJ-UHFFFAOYSA-N 312.365 3.687 0 40 DHAB NCCSc1cc(C(F)(F)F)nc2ccc(Cl)cc12 2525205 YYYGVVYHETUPIH-UHFFFAOYSA-N 306.740 3.958 0 40 DHAB biogenic O=C(CSc1ccc(F)cc1)NCc1ccc(Cl)cc1 2620070 FQHLPCAXOCWWBX-UHFFFAOYSA-N 309.793 3.888 0 40 DHAB CC[C@@H](C(=O)Nc1sc(C)c(C)c1C(N)=O)c1ccccc1 3100688 UAYQOZUPCRIYCI-CYBMUJFWSA-N 316.426 3.596 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC(C)C)cc12 3256373 ZNJDUZGJHLUWGM-UHFFFAOYSA-N 317.389 3.673 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CN1CCCCCCC1 3538897 DRSLFYGKEYUNKG-UHFFFAOYSA-N 310.825 3.553 0 40 DHAB Cc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1C 4163690 VJFQGCJSLXLKEA-UHFFFAOYSA-N 306.365 3.915 0 40 DHAB CCCN(CCC)c1ncnc2c1cnn2-c1ccc(C)cc1 4355005 OVUGDEFXQSESRW-UHFFFAOYSA-N 309.417 3.750 0 40 DHAB Cc1cs/c(=N\c2ccccc2)n1CC(=O)c1ccccc1 4743824 LDUIRAQYMZNNED-HNENSFHCSA-N 308.406 3.973 0 40 DHAB Cc1nc2ccccc2n1CCC(=O)NCCC1=CCCCC1 5208410 QWRREXQRYQMGTE-UHFFFAOYSA-N 311.429 3.742 0 40 DHAB Cc1ccc(CC(=O)Nc2nnc(-c3cccs3)o2)c(C)c1 5268150 LMGNVAZIUKTWPQ-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB O=C(CSCc1ccc(Cl)s1)Nc1nccs1 7401103 XZRBOKVLZFEVKY-UHFFFAOYSA-N 304.849 3.730 0 40 DHAB COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OC 8469879 UCSJGTJVRAGVQB-UHFFFAOYSA-N 309.768 3.786 0 40 DHAB CCN(CC)c1ccc(NC(=O)/C=C/c2csc(C)n2)cc1 8720330 JOSNWQYBEOSHSB-DHZHZOJOSA-N 315.442 3.950 0 40 DHAB Cc1ccc(NC(=O)C[C@H](C(=O)O)c2ccccc2)c(Cl)c1 8745262 JDHZBFJXZBHVOS-ZDUSSCGKSA-N 317.772 3.845 0 40 DHAB CCSc1ncc(Cl)c(C(=O)Nc2cccc(C)c2)n1 9431709 QYUZXNFJJMUVIF-UHFFFAOYSA-N 307.806 3.803 0 40 DHAB C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1ccccc1 9722148 BLJFXELIHGLWIW-SNVBAGLBSA-N 302.424 3.848 0 40 DHAB Cc1ccc(-n2[nH]c3nccc(-c4ccccc4C)c3c2=O)cc1 10157154 VJVAUKWZPXKMAT-UHFFFAOYSA-N 315.376 3.998 0 40 DHAB O=C(NCC1(c2ccccc2)CCC1)c1cc(F)ccc1F 10221709 OLDGAWRTTHKKMO-UHFFFAOYSA-N 301.336 3.817 0 40 DHAB Cc1ccc(O[C@H](C(=O)O)c2ccccc2)c(Br)c1 11823557 SOXDTQQAMFUILN-AWEZNQCLSA-N 321.170 3.962 0 40 DHAB Cc1cc(C(F)(F)F)nc(SCc2nc3ccccc3[nH]2)n1 12138992 ZEWQWUKTBKASPJ-UHFFFAOYSA-N 324.331 3.972 0 40 DHAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F 12553169 VMZOXZLEGDCPIP-MEDUHNTESA-N 316.351 3.569 0 40 DHAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3)CC2=O)c1 13022047 DEECKTJGOATQSB-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB C[C@H](NC(=O)c1cnccn1)c1ccc(-c2ccccc2)cc1 17959880 USCPMKPBDACNAQ-AWEZNQCLSA-N 303.365 3.635 0 40 DHAB CCOc1ncccc1NCc1cc2cc(C)cc(C)c2[nH]c1=O 19531573 DXQCPLWSNKFZKC-UHFFFAOYSA-N 323.396 3.551 0 40 DHAB Cc1cc(CNc2ccccc2C(=O)NCc2ccccc2)no1 22253295 JBFZVWWGBFHRTD-UHFFFAOYSA-N 321.380 3.525 0 40 DHAB Cc1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(C)o1 27925956 NNHNXSRQVJXOFL-UHFFFAOYSA-N 323.396 3.629 0 40 DHAB CC(C)=CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 30923489 PARMDVUQCZTVDO-UHFFFAOYSA-N 309.291 3.796 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 31300813 LUZVUCJXRBZGIZ-OAHLLOKOSA-N 310.397 3.693 0 40 DHAB O=C(COc1ccccc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32106615 FAOGKDRFNTUGFF-UHFFFAOYSA-N 320.392 3.738 0 40 DHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc2c(c1)CCC2 32666210 SCSKIYCGPGSWEI-NSHDSACASA-N 311.347 3.978 0 40 DHAB Cc1cc2ncn(Cc3nnc(-c4ccccc4)o3)c2cc1C 36691610 TZYZCUOUEMRWIY-UHFFFAOYSA-N 304.353 3.751 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 36719550 DBHYFDDKMQQRBN-NIMBFUQJSA-N 313.441 3.644 0 40 DHAB Cc1ccccc1C(=O)NCc1csc(Br)c1 40090942 DWTHJZQLJNPFCP-UHFFFAOYSA-N 310.216 3.749 0 40 DHAB COc1ccccc1NC(=O)Nc1ccn(Cc2ccccc2)n1 40150000 ASONSTZFKYORPI-UHFFFAOYSA-N 322.368 3.584 0 40 DHAB CCOC(=O)c1ccc(CNc2cccc(Br)c2)o1 40175887 DQOGOMSCEGLMHC-UHFFFAOYSA-N 324.174 3.831 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccc(F)cc2)[nH]n1 40478321 JFJLFYJISHQAJL-UHFFFAOYSA-N 321.355 3.957 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccccn2)c(C)s1 46893694 WNKICOWGEYUNEZ-NEPJUHHUSA-N 303.431 3.881 0 40 DHAB Cn1ccc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc21 49543491 WWDAOJLIEJBDCC-UHFFFAOYSA-N 317.392 3.632 0 40 DHAB biogenic Cc1nc(Sc2ccc3ccccc3c2)c2cnn(C)c2n1 54042627 JMAPUXATSQSDOP-UHFFFAOYSA-N 306.394 3.976 0 40 DHAB CCCCCN1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 57327401 UQHKEIKUIKZKJH-UHFFFAOYSA-N 313.397 3.624 0 40 DHAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC(C)CC2)c1 57542322 CKSBEYKTHDSMAO-UHFFFAOYSA-N 303.406 3.607 0 40 DHAB O=C(NC1(c2ccc(Cl)cc2)CCOCC1)C1CCCC1 58329919 PSPJROQYLQBICU-UHFFFAOYSA-N 307.821 3.652 0 40 DHAB CC(C)(C)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 58341439 FGGRDVJOKZLRLC-UHFFFAOYSA-N 302.349 3.675 0 40 DHAB CCOc1ccc(SCc2nc([C@H](C)OCC)no2)cc1 71909260 GOGSBQKRWCYOSW-NSHDSACASA-N 308.403 3.858 0 40 DHAB CCO[C@@H](C)c1noc(CN(Cc2ccccc2)C(C)C)n1 71914902 IATVFPCRYDIYKY-AWEZNQCLSA-N 303.406 3.578 0 40 DHAB Cc1ccnc(N2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)n1 71920538 ZZYLBIWLDLMRSM-MRXNPFEDSA-N 323.375 3.656 0 40 DHAB COc1ccc2[nH]c3c(c2c1)CCN(C(C)C)[C@H]3c1cccnc1 72341977 IGJYEFICYLYPHR-FQEVSTJZSA-N 321.424 3.927 0 40 DHAB C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccccc1Br 83704516 GTMIWUDLXGRLPE-DZGCQCFKSA-N 323.278 3.508 0 40 DHAB C[C@H](Cc1ccoc1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 84829339 DBMCGPIHKKGMAH-GFCCVEGCSA-N 321.804 3.838 0 40 DHAB Cc1cccc(Oc2ccc(NC(=O)N(C)[C@H](C)CO)cc2)c1 95454877 SCDFZAYQNSEHAO-CQSZACIVSA-N 314.385 3.632 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2c2ncccc2F)c1 95964495 QGUFOTMPBLBBAR-OAHLLOKOSA-N 302.349 3.579 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NC[C@H](C)c2nccs2)c1 97113214 QTQNVMFWVHTMTE-NWDGAFQWSA-N 319.430 3.776 0 40 DHAB O=C1O/C(=C\NOCc2ccc(Cl)cc2)c2ccccc21 100400974 NMICIYYMRLSRTF-DHDCSXOGSA-N 301.729 3.530 0 40 DHAB Cc1ccnc(N(CCN2CCCCC2)C(=O)OC(C)(C)C)c1 199719651 JHWWNKWVYGBPNK-UHFFFAOYSA-N 319.449 3.617 0 40 DHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(F)cc2)S1 222558590 JVBNWAJNBJPUEQ-UVBJJODRSA-N 313.401 3.810 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(F)c(F)c1 224014733 PBFSTJAMJVOPLS-UHFFFAOYSA-N 317.335 3.861 0 40 DHAB CCCCNC(=O)c1ccc(OCC)c(COCCCC)c1 224723453 QFLFTFZOYSBPFC-UHFFFAOYSA-N 307.434 3.932 0 40 DHAB CCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C(F)(F)F 225790055 CUPUTDPAHIWMPI-CQSZACIVSA-N 319.323 3.858 0 40 DHAB CC(C)c1nc(Cc2ccc(NC(=O)c3ccco3)cc2)no1 226096924 KXCFADDKBYAHGQ-UHFFFAOYSA-N 311.341 3.629 0 40 DHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc2c(c1)OCO2 245039110 OFNWQHDJSDXOBC-LBPRGKRZSA-N 323.348 3.523 0 40 DHAB CC(C)Oc1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260658747 BLKFJZSTOWRFQX-XEZPLFJOSA-N 304.459 3.949 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CCC4=Cc5[nH]ncc5C[C@@]43C)[C@@H]1CC[C@@H]2O 299817317 TZVXVVYNTVBMQS-GJCUDGATSA-N 312.457 3.953 0 40 DHAB in-vitro O=C1S[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 409145958 SSHFKSFFAYNFBE-OAHLLOKOSA-N 315.369 3.632 0 40 DHAB O=C(NCc1cccc2ccccc12)c1c(F)ccc(O)c1F 555560014 QGFWXMQMTIWIPP-UHFFFAOYSA-N 313.303 3.754 0 40 DHAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccco1 575619132 HLGHHZRFJGACDQ-UHFFFAOYSA-N 307.353 3.732 0 40 DHAB C[C@@H](C1CC1)n1cc(NC(=O)N[C@H]2CCc3ccccc3C2)cn1 681781946 RBKJVEKYISBOCV-GUYCJALGSA-N 324.428 3.533 0 40 DHAB O=C1N[C@@H](SCc2ccc(Cl)cc2)Nc2ccccc21 28511 WWESANGQEBTABK-HNNXBMFYSA-N 304.802 3.712 0 40 DHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cccs1 130801 WUGOKPXMZRQMRO-UHFFFAOYSA-N 317.410 3.668 0 40 DHAB CCc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C)cc1 131874 GEDXWDFQCGRFQB-OUKQBFOZSA-N 323.392 3.753 0 40 DHAB CCOP(=O)(C[C@H](C)P(=O)(OCC)OCC)OCC 1633675 HJGBGITVOMBUNF-NSHDSACASA-N 316.271 3.907 0 40 DHAB COc1cnc(-c2ccccn2)nc1SCc1ccccc1 3051075 GXMYUHGWVSRQNV-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB CSc1ncccc1C(=O)OCc1c(F)cccc1Cl 3341909 ZSCCTRMAQHACKD-UHFFFAOYSA-N 311.765 3.953 0 40 DHAB Cc1cc(C)c(C)c(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)c1 4305134 OVTQEYBWPTYCTQ-XYJFISCASA-N 305.462 3.614 0 40 DHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 4648595 SUWLVPXNQDMLSR-RSYJBZMQSA-N 321.398 3.539 0 40 DHAB CCN(CC)CCC[C@@H](C)NC(=O)Nc1c[nH]c2ccccc12 5299865 HBNQHDFVUDBCCV-CQSZACIVSA-N 316.449 3.800 0 40 DHAB CC(C)[C@@H]1O[C@@H]([C@@H]2OCC(C)(C)[C@H](C(C)C)O2)OCC1(C)C 5539273 UELHWAGUKCPMNW-YHUYYLMFSA-N 314.466 3.834 0 40 DHAB Cc1cc(OCC(=O)NC[C@H](C)c2ccccc2)ccc1Cl 5779119 QPGRZCXPWGVHTN-AWEZNQCLSA-N 317.816 3.947 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2F)c1 6260798 XJXXYUWHEHEPIO-UHFFFAOYSA-N 315.388 3.953 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 6579564 JSOKWGCUFHSVCD-UHFFFAOYSA-N 308.385 3.661 0 40 DHAB Cc1nc2ncnn2c(Nc2cccc(Cl)c2C)c1Cl 6661202 QXZLUTUJYDHKBS-UHFFFAOYSA-N 308.172 3.792 0 40 DHAB CCCCCC(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 6778030 ZGTUXSACYNOZJD-UHFFFAOYSA-N 308.491 3.526 0 40 DHAB COc1ccccc1NC(=O)c1cc(=O)c2ccc(C)c(C)c2o1 6811340 ROXGDOAGRYZOEU-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 6880658 IUNMEJTVZRKJBZ-HUUCEWRRSA-N 301.386 3.590 0 40 DHAB Cc1n[nH]c(=S)n1NCc1ccc(-c2cccc(Cl)c2)o1 7602202 WFSHHICUGGUPTJ-UHFFFAOYSA-N 320.805 3.906 0 40 DHAB COc1cc(CO)cc(Br)c1OCc1ccccc1 8470323 DYUPYNVIMGGYTG-UHFFFAOYSA-N 323.186 3.529 0 40 DHAB CC[C@H](NC(=O)c1ccn(CC)n1)C12CC3CC(CC(C3)C1)C2 8480545 FWVTVGIRAZZNRZ-QBNKABOXSA-N 315.461 3.628 0 40 DHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2S1 8735249 TWALVJJXQVIHJB-HNNXBMFYSA-N 303.814 3.673 0 40 DHAB CCc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 8936056 KBNVTCNZBQJTEW-UHFFFAOYSA-N 312.394 3.546 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 9970587 UTJOZSYVXPWJPA-UXBLZVDNSA-N 305.333 3.753 0 40 DHAB COc1ccccc1C(=O)NCCSCc1ccccc1C 10041068 AAMSWPKUQIYIHB-UHFFFAOYSA-N 315.438 3.667 0 40 DHAB CC(C)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 11869042 RYBAHQGTQKPOCA-UHFFFAOYSA-N 306.369 3.643 0 40 DHAB COc1cccc(C(=O)N2CCC[C@@H]2c2cc3cccnc3[nH]2)c1 12236406 LPSKFBJKQFNIDP-QGZVFWFLSA-N 321.380 3.549 0 40 DHAB O=c1oc2ccccc2n1[C@@H]1CCCN(CC2CCCCC2)C1 12336912 LYBDSSYXELFUKU-MRXNPFEDSA-N 314.429 3.812 0 40 DHAB O=C(CC1(C(=O)O)CCCCC1)Nc1cccc2c1CCCC2 13466628 FARHSEKQEPGAHC-UHFFFAOYSA-N 315.413 3.929 0 40 DHAB COc1ccc(-n2ncc3c2C[C@H](c2ccccc2)CC3=O)cc1 14164160 CTUFBFCFBDZBIT-HNNXBMFYSA-N 318.376 3.794 0 40 DHAB Cc1ccsc1CN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 16346563 DNTMWZRVBNXDIU-LSDHHAIUSA-N 316.470 3.754 0 40 DHAB CCCN1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19738899 VZTIUOZUOCIJIZ-CYBMUJFWSA-N 319.836 3.841 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c(C)c1 20279069 WCWLGEQUWKVPLU-GOSISDBHSA-N 322.408 3.547 0 40 DHAB CCN1C(=O)Cc2cc(NC(=O)Nc3cccc(C)c3)ccc21 22506831 AVSIVNKEUNVSRS-UHFFFAOYSA-N 309.369 3.548 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CNc2cccc(F)c2)cc1C 24214207 OLEDLRGDQSHBDT-CQSZACIVSA-N 300.377 3.732 0 40 DHAB COCc1cccc(NC(=O)c2ccccc2Br)c1 25334789 SXIRCMJNJDTEMA-UHFFFAOYSA-N 320.186 3.848 0 40 DHAB COc1ccc(CNC(=O)CCc2ccccc2Cl)cc1 29699429 LUEARNBLSYRGQZ-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB Cc1nc(-c2cccnc2)sc1C(=O)N(C)c1ccccc1 31864719 ZQZKFXCJDSEYKU-UHFFFAOYSA-N 309.394 3.790 0 40 DHAB C[C@H](C(=O)Nc1ccc2ccccc2n1)n1cnc2ccccc21 32914219 OPNQGXFLTLIAKV-CYBMUJFWSA-N 316.364 3.784 0 40 DHAB O=C(O)[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 35297101 NIWSKXJJRPIBMI-JTQLQIEISA-N 309.818 3.851 0 40 DHAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@]21CC 35645891 WWYNJERNGUHSAO-RLLAOZKESA-N 312.453 3.883 0 40 DHAB Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 38510752 OZLRNVNSGXHZLP-UHFFFAOYSA-N 317.392 3.922 0 40 DHAB COCCN(Cc1csc(-c2ccco2)n1)[C@@H](C)C1CC1 40120811 UHTNUSWQLZCKPW-LBPRGKRZSA-N 306.431 3.650 0 40 DHAB COCCn1c(SCc2csc(C)n2)nc2ccccc21 40160328 HUWQEGJMXFOVMG-UHFFFAOYSA-N 319.455 3.740 0 40 DHAB Cc1cccnc1-n1c(C)c(C)c2c(N)c3c(nc21)CCCC3 40284639 MHLNDGCOUYHRAF-UHFFFAOYSA-N 306.413 3.807 0 40 DHAB CC(C)(C)c1ccc(OC2CCNCC2)c(Br)c1 42774771 GFZBWPFDZCLATP-UHFFFAOYSA-N 312.251 3.877 0 40 DHAB C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1cccs1 48150001 VSEBISMHKSORFF-GFCCVEGCSA-N 312.398 3.817 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1cc(-c2ccccc2)on1 48277120 IMMAKILIROASQI-UHFFFAOYSA-N 318.376 3.803 0 40 DHAB C[C@@H](C(=O)N1CCCCCC1)N(C)Cc1cccc(Cl)c1 48286875 OIACCPHUOSNZKS-AWEZNQCLSA-N 308.853 3.563 0 40 DHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(F)cc1F 48652760 QYJNPPATRRIKOI-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB C[C@@H](NC(=O)CCCOc1ccccc1Cl)c1ccncc1 50551680 ACLTXAJAJJMHCX-CYBMUJFWSA-N 318.804 3.771 0 40 DHAB CSc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1 57406596 HNIYFUJSSBQMGI-ZDUSSCGKSA-N 300.427 3.698 0 40 DHAB CCCCN(CC(F)(F)F)C(=O)Nc1nnc(C2CC2)s1 67012041 WIQNTWMTMVCKJC-UHFFFAOYSA-N 322.356 3.612 0 40 DHAB Cc1nccn1[C@@H]1CCCN(C(=O)c2sccc2C2CC2)C1 69870757 VKGKSUHRKULBEZ-CQSZACIVSA-N 315.442 3.608 0 40 DHAB CCN(C(=O)c1cc(=O)[nH]c2ccc(Cl)cc12)C1CCCC1 69922341 PEWNTKIYYUCJSP-UHFFFAOYSA-N 318.804 3.586 0 40 DHAB CSc1ccc(C)c(C(=O)Nc2cccc([S@@](C)=O)c2)c1 71893531 CCVMFZXLSDNKKR-NRFANRHFSA-N 319.451 3.707 0 40 DHAB CCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCCN2)n1 72209138 ZGUXBGQEUVEYCY-CYBMUJFWSA-N 321.808 3.993 0 40 DHAB CCCN1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1c1cccnc1 72341979 PULLSOCTIGASQE-FQEVSTJZSA-N 321.424 3.929 0 40 DHAB O=C(c1cccc2cnccc12)N1CC[C@H](c2ccccc2)C1 73056877 NEPDXGMECJTCFI-KRWDZBQOSA-N 302.377 3.865 0 40 DHAB CC(C)[C@H](C)N(Cc1csc(-c2ncccn2)n1)C1CC1 76675450 ZWIARTOXRIQENA-LBPRGKRZSA-N 302.447 3.609 0 40 DHAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2nccs2)cc1 76959063 CTZHQKRBFHXZRI-GJZGRUSLSA-N 300.427 3.686 0 40 DHAB COC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 83891509 SDVLGLNBUURNBG-UHFFFAOYSA-N 316.382 3.667 0 40 DHAB CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccoc1C)CCC2 89295747 DOXQJVPZZQXFJU-CYBMUJFWSA-N 304.415 3.757 0 40 DHAB O=C(NC(C1CC1)C1CC1)c1ccc(-c2nc(C3CC3)no2)cc1 89793854 JQZXVDZSHGSBBJ-UHFFFAOYSA-N 323.396 3.532 0 40 DHAB CCOc1cccc(CN[C@H](C)c2cn(-c3ccccc3)nn2)c1 95414946 XGSRKKPYNSOWNH-OAHLLOKOSA-N 322.412 3.517 0 40 DHAB Cc1cc(C)cc(NC(=O)Nc2c[nH]nc2-c2ccccn2)c1 95454860 RBGIMWBGMHFJER-UHFFFAOYSA-N 307.357 3.733 0 40 DHAB O=C(NCC1(c2ccc(F)cc2Cl)CC1)[C@@H]1CC=CCC1 95980190 WKFSVSGMLKCDBQ-GFCCVEGCSA-N 307.796 3.983 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](SC1=NN[C@H]3CCCC[C@H]13)C2=O 100987901 XJRJIPQHVKZMKW-XYIQXXRISA-N 306.475 3.589 0 40 DHAB C[C@H](NC(=O)CCOc1cccc(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 109020271 AZHVRIOMKOWTRK-WSMBLCCSSA-N 305.393 3.536 0 40 DHAB C[C@H](Cc1ccoc1)NC(=O)c1csc(-c2ccccc2)n1 206717971 YTAKICFWTJHKCD-GFCCVEGCSA-N 312.394 3.764 0 40 DHAB COC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1Cl 216935423 BYFFBFULFNPQMK-UHFFFAOYSA-N 314.724 3.900 0 40 DHAB CCCSc1nnc(NC(=O)c2ccc(C)cc2C)s1 223145910 BKGYNYKEUYZQKQ-UHFFFAOYSA-N 307.444 3.909 0 40 DHAB COc1ccccc1NC(=O)COc1cccc2c1CCCC2 225767334 RZJRNPRBNIPMKP-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c(C)n1 225894018 ILVXTWUFZOFVSV-QGZVFWFLSA-N 308.422 3.569 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1 226349481 LKQMILFHUCBHFY-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB CC1=Nc2c(C)cccc2[C@H](OCC(=O)NCc2ccccc2)C1 227148507 YKXJZNHXPAMCGZ-GOSISDBHSA-N 322.408 3.865 0 40 DHAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)cc1OC 409109660 IVODHPBCKVCELT-GDNBJRDFSA-N 309.365 3.895 0 40 DHAB CN(C(=O)COc1ccsc1Cl)[C@H]1CCc2ccccc21 551169887 XWFNIBQGQXWXHD-ZDUSSCGKSA-N 321.829 3.926 0 40 DHAB Cc1ccc(CC(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)s1 585284799 HVQBALIVLFPKPZ-KBXCAEBGSA-N 321.486 3.795 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2ccc(C)cc2C)c1Cl 385495 MSWBHZKBUOSZET-UHFFFAOYSA-N 305.809 3.895 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)/C(C)=C/c1ccccc1 464405 FMDFJWWTXOACBE-BUHFOSPRSA-N 309.365 3.905 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 514229 JSHUEQPPELRPCQ-UHFFFAOYSA-N 311.790 3.540 0 40 DHAB COc1cc(NC(=S)Nc2cccnc2)c(OC)cc1Cl 2334281 YWVMBFZGJVJNMJ-UHFFFAOYSA-N 323.805 3.561 0 40 DHAB CC(C)(C)C(=O)CSc1nnc(Nc2ccccc2)s1 2626159 QJWWPCFCKOFCMP-UHFFFAOYSA-N 307.444 3.989 0 40 DHAB CCCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C 3140918 DXGPPDFIZTWUSW-MRXNPFEDSA-N 324.424 3.737 0 40 DHAB CC(C)(C)c1ccc(Oc2ccc(N3N=C(N)CC3=O)cc2)cc1 3145643 MSWLPMMEDINGQA-UHFFFAOYSA-N 323.396 3.785 0 40 DHAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCCCC1 4746173 PAPGUHQDPFIYQU-MRXNPFEDSA-N 320.864 3.565 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3)o2)cc1C 5372106 WXDGCNITQSLBBZ-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB COc1ccc(C)cc1NC(=O)Cn1c(C)cc2ccccc21 6714802 WBGDSDFPZUANGL-UHFFFAOYSA-N 308.381 3.905 0 40 DHAB Cc1cc(Br)ccc1NCc1ccc(C(=O)O)o1 8702240 RXGDRISAUPBRRT-UHFFFAOYSA-N 310.147 3.661 0 40 DHAB Cc1ccnc(NC(=O)c2cc(F)ccc2Br)c1 8708260 JCUQDNKMNKLYLG-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB Cc1cnc(NC(=O)Cc2c(C)nc3ccccc3c2C)s1 8775771 XUXFAZFTYYARCW-UHFFFAOYSA-N 311.410 3.798 0 40 DHAB Cc1c(C(=O)NC[C@H]2CCCO2)oc2c1ccc1ccccc12 9483484 KRRASGBEJZPKTF-CQSZACIVSA-N 309.365 3.803 0 40 DHAB CC(C)(CO)NCCCCn1c2ccccc2c2ccccc21 10383276 QMXNWDRXGHWCDS-UHFFFAOYSA-N 310.441 3.935 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc2ccccc2[nH]1 12538962 OHXLHRHSIDBXGN-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nnnc3N2)cc1C 15866368 VDIXLHZTZDCXCL-IAGOWNOFSA-N 323.375 3.575 0 40 DHAB CCn1c(CNC(=O)C(C)(C)c2ccccc2)nc2ccccc21 16046726 HGZXWCJIFFWGGG-UHFFFAOYSA-N 321.424 3.650 0 40 DHAB O=C(CSc1ccc2c(c1)CCC2)NCc1ccc(F)cc1 21515317 MNWLBBJPDNTSMT-UHFFFAOYSA-N 315.413 3.723 0 40 DHAB Cc1cccc2c1Sc1ccccc1C[C@H]2N1CCNCC1 22461038 CXNCKSONHZEPNL-QGZVFWFLSA-N 310.466 3.649 0 40 DHAB O=C(CCc1ccccc1O)Nc1ccccc1N1CCCC1 22741352 PBBPCTLPILGCBX-UHFFFAOYSA-N 310.397 3.564 0 40 DHAB COc1cccc(CNC(=O)CCc2ccccc2Cl)c1 23235786 URMDQYQJNGPWQW-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)N(C)Cc2ccsc2)cc1 23957893 UHEJAZISSSPGBR-UHFFFAOYSA-N 318.398 3.589 0 40 DHAB CC(C)Cc1nnc(NC(=O)C2(c3ccccc3)CCC2)s1 25319039 DTOCLYJYPSPFGI-UHFFFAOYSA-N 315.442 3.797 0 40 DHAB CC[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 30754503 ZXEVWDMBXFAXCP-OAHLLOKOSA-N 308.425 3.778 0 40 DHAB CC1=C(C(=O)OC2CCCC2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 30831785 LRKDSMJHEAETSV-KXBFYZLASA-N 313.397 3.632 0 40 DHAB CC(=O)Nc1ccc2c(c1)nc(Cn1ccc3ccccc31)n2C 31818523 UGGOHINCMZMYDC-UHFFFAOYSA-N 318.380 3.535 0 40 DHAB CCOc1ccccc1CCC(=O)Nc1n[nH]c2ccccc12 32787049 DFCDMVDHZWPNKO-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 32914102 FWZZETIESZJEOG-STQMWFEESA-N 319.351 3.747 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CNC1CCCC1)C2 35075027 ZBNAUCQADSOPHS-ITQYTPKQSA-N 309.494 3.501 0 40 DHAB CCN(CC)[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 40007694 LMFVHFTYVVTBIC-WMZOPIPTSA-N 300.446 3.542 0 40 DHAB CC(C)CC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 41535017 VFQFPGANPZIISI-UHFFFAOYSA-N 309.837 3.551 0 40 DHAB COc1ccc(OC)c(CNC(=O)Nc2ccccc2Cl)c1 43146891 BACXBXMSNXUQCY-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB O=C(CCCc1ccc(Cl)cc1)NNc1ccc(F)cc1 45080559 KDJWOYGNEJZTSV-UHFFFAOYSA-N 306.768 3.945 0 40 DHAB COc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)cc1 49467968 FMMZCGZIWAYYCF-UHFFFAOYSA-N 310.332 3.617 0 40 DHAB COc1ccc2ccccc2c1CN[C@@H]1c2ccccc2C[C@@H]1O 51188173 LUGLBYZCRVTAGS-PZJWPPBQSA-N 319.404 3.596 0 40 DHAB Cc1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)no1 56504344 PASOVONXMOPKNY-CYBMUJFWSA-N 319.792 3.875 0 40 DHAB COc1ccccc1[C@@H](C)N(C)Cc1nc(C(C)(C)C)no1 58345027 PREODQOKRKSHDP-GFCCVEGCSA-N 303.406 3.569 0 40 DHAB c1csc([C@@H](NC[C@H]2CNc3ccnn3C2)C2CCCC2)c1 69453550 QFUSBZWHHUKGIT-DYVFJYSZSA-N 316.474 3.507 0 40 DHAB Clc1nc(N2CC[C@H](N3CCCC3)C2)cc2ccccc12 72089557 HUMMXPJMTQBYDA-AWEZNQCLSA-N 301.821 3.563 0 40 DHAB Cc1ccsc1-c1cccc(NC(=O)NC[C@H]2CCOC2)c1 72301250 WWYUPTOZCKBLKE-CYBMUJFWSA-N 316.426 3.882 0 40 DHAB CC(C)(C)OC(=O)NCCSc1ccc(C(F)(F)F)cn1 74015023 ZHZMSXUHARHCJZ-UHFFFAOYSA-N 322.352 3.717 0 40 DHAB CCOC(=O)c1cnc2c(C)cc(F)cc2c1Br 85386385 DXJXCWBXHBIXDK-UHFFFAOYSA-N 312.138 3.622 0 40 DHAB CO[C@H](C)c1cccc(NCc2noc(Cc3ccccc3)n2)c1 86205412 OQKFRNTWWMTNLS-CQSZACIVSA-N 323.396 3.980 0 40 DHAB Cc1noc(C)c1CC(=O)N1CC(C)(C)Sc2ccccc21 88241066 LTCPOVNTYIGBMV-UHFFFAOYSA-N 316.426 3.751 0 40 DHAB Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1nnc3ccccn13)CCCO2 89511345 XCECHDUKHFCYOY-HOCLYGCPSA-N 322.412 3.602 0 40 DHAB CCN(CCc1nccs1)C(=O)c1cccc(F)c1Cl 89969237 RVMUMSHABDAZNK-UHFFFAOYSA-N 312.797 3.640 0 40 DHAB CC(C)N(C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 95416094 GPMWQTLCSGKSIZ-UHFFFAOYSA-N 301.268 3.719 0 40 DHAB COc1cccc([C@H]2C[C@H]2C(=O)NC(C)(C)C2CCCC2)c1 95978723 IMXGDNFUYVYFJJ-IAGOWNOFSA-N 301.430 3.884 0 40 DHAB Cc1ccccc1CNC(=O)c1c(C)noc1-c1ccccc1 96011676 PMQUZVNVOXBOEM-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB Cc1ccccc1[C@H]1CCCN1Cc1nc2ccccc2[nH]c1=O 97201672 HNYCDJKCINCFKC-LJQANCHMSA-N 319.408 3.569 0 40 DHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213929 SCHKXYRFWOUKFL-IHEFFSNCSA-N 323.521 3.842 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102194171 SIRDUEBANVXGRZ-CZIKEKGBSA-N 301.430 3.785 0 40 DHAB C[C@H](CCc1ccccc1)NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102233674 JDQPGADBLGGPFK-BSWAZPDLSA-N 302.487 3.660 0 40 DHAB CC(=O)c1csc(C(=O)Nc2cc(C(F)(F)F)ccn2)c1 180589887 XTPCDGAMUUVLNT-UHFFFAOYSA-N 314.288 3.617 0 40 DHAB C[C@@H](NC(=O)N[C@H](C1CCCC1)C(F)(F)F)c1ccccn1 185505878 AWHPOJNSSYPZRM-ZWNOBZJWSA-N 315.339 3.563 0 40 DHAB CC(C)(C)OC(=O)Cc1c(Cl)cccc1Br 199829683 KKOZUJJGTRQHNS-UHFFFAOYSA-N 305.599 3.987 0 40 DHAB Cc1cccc(OCC(=O)n2c(C)c(C=O)c3ccccc32)c1 216719875 DTZRFUGGUZTUAE-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1cccc(Cl)c1 224173398 RNMLDDFUIKEFGO-UHFFFAOYSA-N 317.882 3.974 0 40 DHAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 224668616 VTGZNGFQLJYKEH-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1C 225608929 YQPDEAWSXOOEFY-AWEZNQCLSA-N 321.417 3.790 0 40 DHAB Cc1cc(C)c(C(=O)NCCCN2CCc3ccccc32)cc1C 225649117 UYTLJACESYQUJE-UHFFFAOYSA-N 322.452 3.794 0 40 DHAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)CC(C)C)c1 226351879 NOTCKAJMWVRSDI-UHFFFAOYSA-N 317.341 3.638 0 40 DHAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2ccc(Cl)cc2)C1 228910365 NNNOXHUFBNFOQD-CYBMUJFWSA-N 323.820 3.709 0 40 DHAB Cc1ncsc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 331009783 MWCZXLFMKZMGAU-KWCYVHTRSA-N 310.463 3.867 0 40 DHAB CCOc1ccc(C(=S)NCc2cccc(OC)c2)cc1 408572029 GFEKDODBOHRJGM-UHFFFAOYSA-N 301.411 3.559 0 40 DHAB COc1cc(C(=O)C(C)(C)OC(C)=O)c(Cl)cc1Cl 575361508 MRAQMBXMLBBAJC-UHFFFAOYSA-N 305.157 3.526 0 40 DHAB Cc1ccc2ncc(-c3cccc([C@@H]4CCCN(C)C4)n3)n2c1 2037845540 AFCIRQABEVXKSJ-OAHLLOKOSA-N 306.413 3.514 0 40 DHAB COc1cc(C)ccc1N1C(=O)C[C@H]([C@@H](C)c2ccccc2)C1=O 32295 MHGJUSXABUQKSX-GOEBONIOSA-N 323.392 3.687 0 40 DHAB O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1cccs1 130269 MOZBIIFPPWAYPK-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1Cl 176615 XKKQDXLIDJVAQQ-ZROIWOOFSA-N 301.704 3.824 0 40 DHAB COC(=O)c1cccc(NC(=O)CSc2ccc(C)cc2)c1 367760 CBWAWQBKKLZDDM-UHFFFAOYSA-N 315.394 3.512 0 40 DHAB Fc1cccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c1 385562 RVDXQFSGNJBMEC-UHFFFAOYSA-N 314.320 3.798 0 40 DHAB O=C(COc1cccc2ccccc12)NCCc1ccccc1 505099 TYMRFXZBFPVKGU-UHFFFAOYSA-N 305.377 3.578 0 40 DHAB CCc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 570445 IIRGELIDNBEXEZ-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB O=C1O[C@H]([C@@H]2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 1855494 AKBGLPRWJDGEQF-XLIONFOSSA-N 318.372 3.832 0 40 DHAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C 2134641 CMRJPMODSSEAPL-WTGUMLROSA-N 312.409 3.900 0 40 DHAB biogenic CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1O 2315219 LCEJKPPKBXGTDA-UHFFFAOYSA-N 308.381 3.824 0 40 DHAB CCOc1ncccc1C(=O)Nc1ccc2nc(C)sc2c1 2623234 OCGQKYGAVQDWEE-UHFFFAOYSA-N 313.382 3.651 0 40 DHAB CCN(C(=S)Nc1ccccc1)c1ccc2c(c1)OCCO2 3192146 POAOOKXYMVWNEX-UHFFFAOYSA-N 314.410 3.681 0 40 DHAB O=C(Sc1nnc2ccccn12)c1ccc(Cl)cc1Cl 3327099 XQHIJGBTXDJFJS-UHFFFAOYSA-N 324.192 3.969 0 40 DHAB O=C(c1cccs1)N1CCN=C1SCc1cccc(F)c1 4119913 QEBXXKVCFDBRPZ-UHFFFAOYSA-N 320.414 3.632 0 40 DHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccccc1 5111691 KFBQDOVMVAORNG-UHFFFAOYSA-N 323.270 3.501 0 40 DHAB COc1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 5559890 FXQSGMVDWCDXIB-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB Cc1cnc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cn1 6652142 SILLDRQGRTTYFJ-SECBINFHSA-N 310.184 3.583 0 40 DHAB CCC(CC)NC[C@H](O)COc1ccc(OC)cc1C(C)(C)C 6941028 LKHPRSIVYNTDCO-HNNXBMFYSA-N 323.477 3.511 0 40 DHAB O=C(NCc1ccc(CN2CCCCC2)cc1)C1CCCCC1 7447544 ZGSWSVNZEBNCBD-UHFFFAOYSA-N 314.473 3.869 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2F)N1C1CC1 7886274 RPJKRSOXEMTFIY-MRXNPFEDSA-N 300.308 3.694 0 40 DHAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccco2)n1 9750334 QDMOJHAHDHORQS-UHFFFAOYSA-N 314.366 3.972 0 40 DHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1Br)C(=O)O 11798716 KXIHIHBOOAAHCY-MRVPVSSYSA-N 301.180 3.599 0 40 DHAB O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2c(=O)s1 12030456 HFWUVEIDSPJJBN-UHFFFAOYSA-N 316.769 3.562 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1ccc(F)cc1)O[C@H](C)C2 12927241 CVROPFHKAWMWOY-LLVKDONJSA-N 315.344 3.800 0 40 DHAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCc1ccccc1 13708836 VAGACJGKIMKIPN-INIZCTEOSA-N 319.404 3.966 0 40 DHAB S=C(NCc1ccc(Cl)cc1)Nc1cccnc1Cl 13838500 ZUBVBWLFHWCDGP-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB CN(CCCNC(=O)c1ccc(Cl)cc1F)c1ccccc1 14219522 DOVOWTMYXRJHFK-UHFFFAOYSA-N 320.795 3.735 0 40 DHAB CC(C)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20455386 CDFMHPWETTYUQW-UHFFFAOYSA-N 308.425 3.778 0 40 DHAB COc1ccc(Nc2ccc(Br)cc2C(=O)O)cc1 21995285 FFTKUCZHODWBHF-UHFFFAOYSA-N 322.158 3.900 0 40 DHAB COC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 24688834 VDAGPPCGRVYKMV-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB CCCCN(C)c1ncnc2c1cnn2-c1ccc(C)cc1C 26580407 PAFCLBAXSOWRCE-UHFFFAOYSA-N 309.417 3.669 0 40 DHAB CCOC(=O)Nc1c(-c2cccs2)nc2cc(C)ccn12 26770609 NTHVJKORHPUXAT-UHFFFAOYSA-N 301.371 3.940 0 40 DHAB CCc1cc(Br)ccc1OCC[C@H]1CCCCN1 42770209 BFUPUDZRJKIOBX-CQSZACIVSA-N 312.251 3.923 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 43747479 ZQMQDXWWOJKSLC-OAHLLOKOSA-N 322.408 3.613 0 40 DHAB CC(C)C(=O)Nc1cc(N2CCCC[C@H]2C)c(N)cc1Cl 45891799 LHLUNNDIKRDYAX-LLVKDONJSA-N 309.841 3.896 0 40 DHAB Cc1ccc(OCCC(=O)Nc2ccc(Cl)cn2)cc1C 48366828 RYRKYCINJLOQOB-UHFFFAOYSA-N 304.777 3.759 0 40 DHAB O=C(NCc1ccccc1Cl)c1cc(-c2cccs2)[nH]n1 51315963 HXGPULCZWUOJKT-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB CC(C)n1cnnc1SCc1nc2cc(Cl)ccc2n1C 53221266 DTLMUMHFFSXLFO-UHFFFAOYSA-N 321.837 3.691 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(C)C)CC2)C1(C)C 60394971 WVGWJHYRHCAOQV-QZTJIDSGSA-N 320.521 3.804 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1cncn1-c1ccccc1 60583823 HRGQKFDRAKJPIT-UHFFFAOYSA-N 317.392 3.774 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1C[C@@H]1c1ccco1 64582836 PGKPBUTYNWOXTB-UONOGXRCSA-N 323.348 3.599 0 40 DHAB Cc1ccoc1C(=O)N(C)c1ccc(Br)cc1F 65864185 VKVHUPXGYIPUOP-UHFFFAOYSA-N 312.138 3.766 0 40 DHAB O=C(c1ncoc1-c1cccs1)N1CC[C@@H]2CCCC[C@H]21 69670262 BQOIKFAFYOZFIW-NWDGAFQWSA-N 302.399 3.808 0 40 DHAB CC(C)(C)CC(=O)NCCCn1ncc2c(Cl)cccc21 71196108 BFVNALLSFVBPJW-UHFFFAOYSA-N 307.825 3.632 0 40 DHAB CO[C@@H](C(=O)N[C@@H](C)c1csc(C(C)C)n1)c1ccccc1 71907667 MZUSCJXMLYXXFT-SWLSCSKDSA-N 318.442 3.831 0 40 DHAB C[C@H]1Cc2ccc(F)cc2CN1C(=O)Nc1cccc(F)c1 72291903 AIZSKNAICNQEIP-NSHDSACASA-N 302.324 3.944 0 40 DHAB Cc1csc([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 72298899 HBDADKCEAFUDAW-CQSZACIVSA-N 318.417 3.539 0 40 DHAB O=C(NC[C@H](O)c1ccc(Cl)s1)c1cc2ccccc2o1 76089237 GVUDWZWLQDKPLU-JTQLQIEISA-N 321.785 3.611 0 40 DHAB CCO[C@@H](C)c1nc(CN(Cc2ccco2)C2CC2)cs1 76718379 LIYQIYNOAVFJBH-LBPRGKRZSA-N 306.431 3.998 0 40 DHAB Cc1ccc([C@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 79017343 DNXBAHJVPBKPKD-QGZVFWFLSA-N 319.412 3.702 0 40 DHAB O=C(Nc1nccs1)c1ccc(Cl)c(-n2cccc2)c1 80329741 MHRJONRQWLFFCR-UHFFFAOYSA-N 303.774 3.840 0 40 DHAB COCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 83897856 CFQGDEHAJOJTPD-UHFFFAOYSA-N 314.429 3.652 0 40 DHAB CC(C)[C@H](c1ccccc1)N1CCC(N2CCO[C@H](C)C2)CC1 84715130 ZADZANFZYYXYBD-YLJYHZDGSA-N 316.489 3.569 0 40 DHAB CCC[C@@H](NC(=O)N[C@H](CC)c1ccncc1)c1ccccn1 95404584 BIBHSNXTPFTGOQ-NVXWUHKLSA-N 312.417 3.768 0 40 DHAB Cc1ccc2oc(C(=O)N3C[C@@H](C)Oc4ncccc43)cc2c1 95973371 JYHIIHKNMOEYDV-GFCCVEGCSA-N 308.337 3.564 0 40 DHAB Cc1cnc([C@H](C)NCc2ccccc2OCc2cccnc2)o1 96003614 VRRNZNXSRYGFTL-HNNXBMFYSA-N 323.396 3.808 0 40 DHAB CC1=C(C)C[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2C1 100937374 BMKKJOCEEVKJAN-RYUDHWBXSA-N 323.314 3.941 0 40 DHAB c1ccc(Cc2noc(CN3CCC[C@@H]4CCCC[C@H]43)n2)cc1 107332717 UXIXVELMXUZARP-DLBZAZTESA-N 311.429 3.815 0 40 DHAB CC(C)c1cnc(NC(=O)Nc2cc([C@@H]3C[C@@H]3C)n[nH]2)s1 192390497 ITKPYVHQWXZMCT-DTWKUNHWSA-N 305.407 3.757 0 40 DHAB CCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 195765908 KKNJTFBOSGRHRG-UHFFFAOYSA-N 302.493 3.567 0 40 DHAB CCCOc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1 216958181 DQFIIKFHTSOVMZ-UHFFFAOYSA-N 307.349 3.931 0 40 DHAB Cc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 225001630 YSHDFEZANFGHKA-HUUCEWRRSA-N 322.880 3.746 0 40 DHAB CCc1ccc(CC(=O)NCCOc2ccccc2Cl)cc1 225870776 FZMUCUVUQGXPBX-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB CCCCOc1ncc(NC(=O)C2(OCC)CCCC2)cc1C 225898654 VUINUDIPOLXXQI-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 251026726 WRMMKKLGHXNWQL-QZWWFDLISA-N 301.430 3.684 0 40 DHAB CC(=O)N1CCC[C@H](c2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)C1 252585414 IKWHFMCPSPVMJD-AJNGGQMLSA-N 304.459 3.773 0 40 DHAB Cc1nc2ccc(NC(=O)c3n[nH]c4c3CCCCCC4)cc2[nH]1 257246274 ITKJLJRVFMBSGD-UHFFFAOYSA-N 323.400 3.506 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260801498 ZPPLFXSFRMOTFZ-MCPREKNCSA-N 313.441 3.638 0 40 DHAB CCOCC[C@@H]1CCOC12CCN(Cc1ccc(C)s1)CC2 585104670 KTQZAOGTXCAOEY-MRXNPFEDSA-N 323.502 3.854 0 40 DHAB Cc1ncnc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1C 1888863641 HRTQCEMMTGMVEM-UHFFFAOYSA-N 313.254 3.504 0 40 DHAB COc1ccc2[nH]c(C)c(CCNC(=O)c3cccs3)c2c1 140810 RARVGZDNSDDCSP-UHFFFAOYSA-N 314.410 3.519 0 40 DHAB CCN(CC)C(=O)C[C@@H](c1ccco1)c1ccccc1OC 487656 XDLXZJAOALFEPY-OAHLLOKOSA-N 301.386 3.679 0 40 DHAB biogenic O=S(=O)(Nc1cccc2ccccc12)c1ccccc1F 2628932 PJCGKQQMYPBNQX-UHFFFAOYSA-N 301.342 3.780 0 40 DHAB O=C(O)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 4344006 YMYZWUQHVWWZKI-UHFFFAOYSA-N 313.740 3.610 0 40 DHAB CC(C)(C)NC(=S)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1Cc3ccccc3[C@@H]12 4775367 UGPHHVPJAMOOPF-NHMWIVBRSA-N 314.498 3.614 0 40 DHAB CCc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1 5681082 NOMZOPWIKCTGCV-UHFFFAOYSA-N 318.423 3.660 0 40 DHAB Cc1nc(S[C@@H](C)C(=O)N(C)c2ccccc2)nc(C)c1C 5944246 ZMZMNNZNVIWSDV-AWEZNQCLSA-N 315.442 3.545 0 40 DHAB Cc1nc(C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12 5956702 YHGLSWRENUHZQZ-UHFFFAOYSA-N 315.376 3.955 0 40 DHAB biogenic CC(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 6852507 DLSQXYKAKVBXHX-UHFFFAOYSA-N 301.411 3.561 0 40 DHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccccc1 7645203 WMYGBMZFBGDIDR-PKNBQFBNSA-N 323.392 3.520 0 40 DHAB c1ccc(NC2=NN=C(c3ccc4c(c3)CCO4)CS2)cc1 9339212 COZILWASONMEIB-UHFFFAOYSA-N 309.394 3.541 0 40 DHAB CN(CC(=O)Nc1cccc(Cl)c1)Cc1cccc(F)c1 13072788 PRBBHLSWGCSPDP-UHFFFAOYSA-N 306.768 3.550 0 40 DHAB O=C(CCC(=O)c1ccccc1)Nc1cccc2ncccc12 15980230 CFTHLAXUUYSOFA-UHFFFAOYSA-N 304.349 3.836 0 40 DHAB Cc1ccc(-n2ncc3c2C[C@@H](c2ccccc2O)CC3=O)cc1 17054577 ZJBIHPNEURYOSD-CQSZACIVSA-N 318.376 3.799 0 40 DHAB CC[C@H](C(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C)c1ccccc1 17783434 HSFSMAMJZRQHBZ-UXLLHSPISA-N 317.429 3.513 0 40 DHAB COc1cccc([C@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)c1 19927603 GJRBDOZSIXNVEQ-IINYFYTJSA-N 320.439 3.627 0 40 DHAB CCOc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20141414 SUONVJYUXICCRI-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB CSc1ccc(CN(C)C(=O)c2cnc3ccccc3n2)cc1 21900732 MYHXCCBAVJRCEN-UHFFFAOYSA-N 323.421 3.624 0 40 DHAB COc1ccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1OC 22006506 TYNWQENQKZPLPV-CZUORRHYSA-N 303.402 3.881 0 40 DHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccs1 22414067 YFLGNHDCAWHOST-UHFFFAOYSA-N 306.475 3.667 0 40 DHAB Nc1nnc(C2=C(O)/C(=C/c3ccc(Cl)cc3)CC2)s1 23702218 UGZVKYTVFZSVGP-VQHVLOKHSA-N 305.790 3.920 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)[C@H](C)C1CC1 24837966 SEJUPMRUBUFKKL-GFCCVEGCSA-N 300.427 3.989 0 40 DHAB c1cc(CNc2ncnc3ccsc23)cc(CN2CCCC2)c1 25502909 YKBGGTZEPRCDQS-UHFFFAOYSA-N 324.453 3.899 0 40 DHAB C[C@H](NC(=O)CN1CCCc2cccc(F)c21)c1cccs1 25510723 FMLLSUHCYGPIMR-LBPRGKRZSA-N 318.417 3.517 0 40 DHAB C[C@@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 26754000 GTVDCHOHAGPCCC-AWEZNQCLSA-N 322.408 3.569 0 40 DHAB O=C(NCc1ccccn1)c1ccc(CSc2ccccc2)o1 28269680 GDDFAWAYGICSHL-UHFFFAOYSA-N 324.405 3.897 0 40 DHAB CSc1ccc([C@H](C)NC(=O)Cc2ccccc2F)cc1 31694274 SINNHLHASNTYIA-LBPRGKRZSA-N 303.402 3.968 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C 32585507 RPPALVROMFFNHF-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB CC(C)(C)OC(=O)N(Cc1ccccc1)C1CCC(=O)CC1 34537755 OZQWUKOZVXLDDA-UHFFFAOYSA-N 303.402 3.935 0 40 DHAB CCCCc1nnc(NC(=O)c2ccc3ccn(C)c3c2)s1 40284018 XEQWHFPLVBULDB-UHFFFAOYSA-N 314.414 3.625 0 40 DHAB COC(=O)Cc1ccc(-c2nc3ccccc3o2)cc1Cl 41127255 GDENSEGKFMXXCO-UHFFFAOYSA-N 301.729 3.864 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)COc2cccc(OC)c2)cc1 44508808 ADAVWYWTEJZPPK-CQSZACIVSA-N 313.397 3.514 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1ccccn1 48234312 GOEVNQXKUAOBJH-IUODEOHRSA-N 315.442 3.923 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccc(F)cc1 55693786 UEKZGMLVXJBHMZ-HNNXBMFYSA-N 315.388 3.650 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)NC2CCCCC2)cc1 58013578 JSTYQVGQKQMTFH-UHFFFAOYSA-N 317.477 3.660 0 40 DHAB CCn1c(SCc2nc(C)c(C)o2)nnc1-c1ccoc1C 58162885 UWBHVEBDNDLNKQ-UHFFFAOYSA-N 318.402 3.764 0 40 DHAB Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)c(C)n1C1CC1 58901914 HPHLROITADIFIA-UHFFFAOYSA-N 307.397 3.851 0 40 DHAB CCCCn1c(S(=O)(=O)Cc2cccc(C)c2)nc(C)c1C 63870550 FXAQFXYASDILLK-UHFFFAOYSA-N 320.458 3.582 0 40 DHAB CCOc1cc(NC(=O)CC(CC)(CC)C(=O)O)ccc1C 66965940 JNJJLWIRLNKTKF-UHFFFAOYSA-N 307.390 3.613 0 40 DHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@H]1C[C@@H]1c1ccccc1 67515920 GJTOUNVBQQBCPP-WBVHZDCISA-N 323.440 3.801 0 40 DHAB Cc1ccc(-c2cnn(CN(C)Cc3c(C)noc3C)c2)cc1 69347733 XNFQLZFBQYLVAZ-UHFFFAOYSA-N 310.401 3.553 0 40 DHAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccs1 69527880 QCDIRXDMSFVMKQ-UHFFFAOYSA-N 316.357 3.515 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)n(C(C)C)c2C)on1 71820948 GOZSFTPQFSVLSE-INIZCTEOSA-N 315.417 3.960 0 40 DHAB Cc1ccc2oc(C(=O)NCC[C@@H](O)c3ccccc3)c(C)c2c1 72243116 UHYAHWXOJYUVQJ-QGZVFWFLSA-N 323.392 3.903 0 40 DHAB Cc1csc(Nc2nccnc2[C@H]2CCCN2C(C)C)n1 72384616 RIWXDILDDJQGIX-GFCCVEGCSA-N 303.435 3.530 0 40 DHAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1 72405625 VPCBIYWCEIJUJM-OAHLLOKOSA-N 323.352 3.657 0 40 DHAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1cccs1 74856735 HNDQFFIMBCSPDK-JTQLQIEISA-N 315.847 3.582 0 40 DHAB C[C@@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1cnn(C)c1 83734606 HXYVHDYVRCTCRM-CQSZACIVSA-N 324.428 3.523 0 40 DHAB Cc1cc(Nc2ccc(CN3CCCC3=O)cc2)nc(C2CC2)n1 89599408 VLKIADBWUFMGAB-UHFFFAOYSA-N 322.412 3.528 0 40 DHAB C[C@@]1(c2cccs2)C[C@H]1CNC(=O)c1ccncc1Cl 95405214 BQLVTVQLLWJRJA-ZUZCIYMTSA-N 306.818 3.504 0 40 DHAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(O)cc1 95431709 OKJDFBFLMGDHNB-HUUCEWRRSA-N 301.411 3.524 0 40 DHAB CC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96073337 MAEKYJWTIMGVQV-YWZLYKJASA-N 324.424 3.656 0 40 DHAB CCn1nc(C)c(NC(=O)Nc2nc(C(C)C)cs2)c1C 96433829 ABWQAORNLJROSP-UHFFFAOYSA-N 307.423 3.744 0 40 DHAB COc1ccc(N[C@H](C)c2ccccc2)cc1N1CCOC1=O 96437313 FBPKQGICSHWAKW-CYBMUJFWSA-N 312.369 3.825 0 40 DHAB COc1ccc(C[C@H](C)N[C@H](C)c2ncc(C)s2)cc1OC 97017226 YCFROBBDZUUCHR-WCQYABFASA-N 320.458 3.751 0 40 DHAB CC(C)OCc1ccc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 194523815 WPXSEZZQTWXRMX-CQSZACIVSA-N 320.433 3.643 0 40 DHAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1ccccn1 206897312 JFZKFDJJUOLHGO-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(F)cc2)S1 222558657 JVBNWAJNBJPUEQ-LYRGGWFBSA-N 313.401 3.810 0 40 DHAB Cc1ccnc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225545675 TWIBAVVHXFSMFJ-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB O=C(/C=C/c1ccccc1)NCc1ccc(-c2ccco2)nc1 225750879 QKCNDLAXYAZXPV-PKNBQFBNSA-N 304.349 3.671 0 40 DHAB Cc1nc2cc(NC(=O)c3cccc4ncccc34)ccc2n1C 525731393 IEZZDNCOPLBPRJ-UHFFFAOYSA-N 316.364 3.682 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1cccc2ccncc12 531512705 ANULFSDLJVPYEF-UHFFFAOYSA-N 303.321 3.557 0 40 DHAB FC(F)c1ccc(-c2noc(-c3cc(C4CC4)on3)n2)cn1 585099495 NMMDACWAGBDFQK-UHFFFAOYSA-N 304.256 3.602 0 40 DHAB O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccccc1 49908 GUNYXKFMFFIDBK-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB CC[C@H](C)NC(=O)c1sc2nc3ccc(C)cc3cc2c1N 412192 HEAGNMPPPAYCQN-JTQLQIEISA-N 313.426 3.868 0 40 DHAB Cc1ccc(SCC(=O)NCCc2ccc(F)cc2)c(C)c1 2621649 SKEVWSLRFHVPMA-UHFFFAOYSA-N 317.429 3.894 0 40 DHAB CC[C@H](C)c1ccc(C(=O)COc2ccccc2C(N)=O)cc1 2629360 QLKPOHKJLWNZTJ-ZDUSSCGKSA-N 311.381 3.561 0 40 DHAB CSc1nnc(COc2ccccc2C)n1-c1ccccc1 2659217 NQIXSUAAYCOHFJ-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB CCCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2 2719706 RFJZKWIAOIBWJA-UHFFFAOYSA-N 318.467 3.773 0 40 DHAB CC(=O)Nc1ccc(C(=S)NCCC2=CCCCC2)cc1 3348940 GPWDSGKEYNKHQF-UHFFFAOYSA-N 302.443 3.801 0 40 DHAB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccccc1Cl 5452094 OLKCHWLAGWSFBX-ACCUITESSA-N 308.768 3.994 0 40 DHAB Cc1cc(C)c(NC(=O)CN2CCc3ccccc3C2)c(C)c1 5538424 KHJBFSMDXNOLNJ-UHFFFAOYSA-N 308.425 3.609 0 40 DHAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(F)cc3)C2)cc1 5639290 WVIQTDLCMKFQJO-GOSISDBHSA-N 312.344 3.532 0 40 DHAB C[C@H]1CCCN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1 5723346 OHQWOUQOOHHSLW-NALMEZQBSA-N 311.510 3.701 0 40 DHAB Cc1ccc2nc([C@@H]3CC(=O)N(c4ccccc4C)C3)[nH]c2c1 5818435 HYMSVSWVPRAKEM-CQSZACIVSA-N 305.381 3.700 0 40 DHAB Ic1ccc(CNc2ccccc2)cc1 6257962 OBBIEUGPOVTZQP-UHFFFAOYSA-N 309.150 3.903 0 40 DHAB Cn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3 6590133 NWSHZMZEXXPQON-UHFFFAOYSA-N 302.424 3.602 0 40 DHAB CCOc1ccccc1NC(=O)c1cc(=O)c2ccc(C)cc2o1 6811248 JONQRQQTFSAKAI-UHFFFAOYSA-N 323.348 3.752 0 40 DHAB CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ncccn12 8845488 LQDCOTIFUZHDQK-UHFFFAOYSA-N 316.748 3.618 0 40 DHAB Cc1ccc(Cc2nnc(NC(=O)c3cccs3)o2)c(C)c1 8922281 IBWFXWUHENINGS-UHFFFAOYSA-N 313.382 3.591 0 40 DHAB O[C@H](CN1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1 13005606 XCINSJOBIPZONT-OAQYLSRUSA-N 318.420 3.991 0 40 DHAB CCC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@@H]2[C@H]1c1ccco1 13752248 OFOXTMOYXZXIJT-UUWFMWQGSA-N 315.344 3.994 0 40 DHAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2)c1 13840987 ASCPWLHALQJTPT-UHFFFAOYSA-N 318.373 3.811 0 40 DHAB Brc1ccc2cc(OCC3CCNCC3)ccc2c1 14631496 HVIPVKWWTLILOH-UHFFFAOYSA-N 320.230 3.981 0 40 DHAB in-vitro COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccccc2)c1 15827510 OQQZPEJRLKRLQM-KRWDZBQOSA-N 311.381 3.681 0 40 DHAB CCc1ccc([C@@H](CNC(=O)Nc2ccccc2)N(C)C)cc1 18180263 VWYIHAWWBCPLPP-GOSISDBHSA-N 311.429 3.673 0 40 DHAB CSc1ccc([C@@H](CN)N2CCc3sccc3C2)cc1 20523749 IZKMCDVXIMYVKG-OAHLLOKOSA-N 304.484 3.528 0 40 DHAB C[C@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H](C)O1 20938345 DODVCGJPKJZHMA-TXEJJXNPSA-N 306.793 3.604 0 40 DHAB c1ccc(C(c2ccccc2)(c2ccccc2)c2nnn[nH]2)cc1 21999837 ABPZRLQZVHPPCT-UHFFFAOYSA-N 312.376 3.582 0 40 DHAB COc1ccc2nc(C)c(C(=O)N[C@@H]3CCCC[C@H]3C)cc2c1 25767521 MZCVRRJRXJOISL-SJKOYZFVSA-N 312.413 3.860 0 40 DHAB C[C@H]1CN(c2cc(C(F)(F)F)nc3ccccc23)C[C@H](C)O1 26134654 VLCKBWLASSYZRO-QWRGUYRKSA-N 310.319 3.867 0 40 DHAB Cc1ccccc1-n1ncc(C(=O)N2CCC[C@@H](C)C2)c1C1CC1 29737262 TVYUSBNURLIBHV-CQSZACIVSA-N 323.440 3.930 0 40 DHAB CS[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 32484162 QBUZLVMVXNNFEW-NWDGAFQWSA-N 320.483 3.754 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 32836305 GLHIUXSOKKVDII-CBAPKCEASA-N 321.289 3.620 0 40 DHAB Cc1ccc(Nc2n[nH]c(N)c2NC(=O)c2ccc(C)cc2)cc1 35671239 HHVMVNFDFIJWSB-UHFFFAOYSA-N 321.384 3.605 0 40 DHAB O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(F)c(F)c1 40086939 ZKXLUHBGXYXIQH-UHFFFAOYSA-N 316.351 3.813 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cccnc1 43786189 CEAIVUCGMXLIKS-IUODEOHRSA-N 315.442 3.923 0 40 DHAB COc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2)cc1OC 44845339 LHTNJZIABDUQSM-NSHDSACASA-N 318.348 3.726 0 40 DHAB COc1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 49930335 LKCFDHJIGUVJFX-UHFFFAOYSA-N 317.816 3.940 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@H](C)c1cccnc1 57030742 KANXXTMBVVOREA-ZBFHGGJFSA-N 324.424 3.778 0 40 DHAB Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1N 57340521 RGFNANIGNKYQBF-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB CCCN(CCC)C(=O)Nc1cccc(NC(=O)C(C)C)c1 57993775 OFLLHTAJQSSKIC-UHFFFAOYSA-N 305.422 3.935 0 40 DHAB Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(c3ncccn3)C2)cc1 67688957 BAFIIJIYPBUGKC-MRXNPFEDSA-N 319.412 3.559 0 40 DHAB CC(C)Oc1ccc(NC(=O)NC2CCSCC2)c(F)c1 69893579 WIAQUBXDPAFHAQ-UHFFFAOYSA-N 312.410 3.630 0 40 DHAB Cc1ncsc1C(=O)Nc1cnn(-c2ccccc2Cl)c1 69894424 MZVOQESFUWQVTE-UHFFFAOYSA-N 318.789 3.543 0 40 DHAB Cc1cccc(C[S@](=O)Cc2noc(-c3ccsc3)n2)c1 69975810 QOXVVZKCXLTRBK-OAQYLSRUSA-N 318.423 3.555 0 40 DHAB C[C@H](N[C@H](C)c1ccccc1Br)c1nccn1C 70443971 RREYNVYAISWYOC-MNOVXSKESA-N 308.223 3.594 0 40 DHAB Fc1cc2nc(-c3cc(Cl)c4c(c3)OCO4)[nH]c2cc1F 71810461 YPPGTAGYSNGENL-UHFFFAOYSA-N 308.671 3.890 0 40 DHAB COCCCC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 71820047 SMCSAEQRBDSMNL-UHFFFAOYSA-N 314.429 3.609 0 40 DHAB CCOc1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 72017174 HPDBVFRAQVRFJW-UHFFFAOYSA-N 309.409 3.894 0 40 DHAB COC(=O)c1cc(F)c(C)c(NCCOc2ccc(F)cc2)c1 72073369 IGTMQEPZKSUAHF-UHFFFAOYSA-N 321.323 3.551 0 40 DHAB O=C1N=C(c2cccs2)c2c(O)[nH]c(-c3cccs3)c21 72099150 ZLIGHMSLZXFKKF-UHFFFAOYSA-N 300.364 3.502 0 40 DHAB CN(C)C(=O)CCCCSc1ncc(-c2ccc(F)cc2)[nH]1 78874940 UGTFDZAPOOJUHI-UHFFFAOYSA-N 321.421 3.566 0 40 DHAB O=C(c1ccc(CNc2c(F)cccc2F)cc1)N1CCCC1 86191400 SNNUZZBOJDFVGQ-UHFFFAOYSA-N 316.351 3.813 0 40 DHAB COc1ccc([C@@H](O)CN[C@H](c2cccs2)C2CC2)cc1 95353001 CJOLNLGSLHEWGN-RDJZCZTQSA-N 303.427 3.531 0 40 DHAB CC(=O)Nc1ccc(CCN[C@H](C)Cc2ccc(F)cc2)cc1 95421790 FYGKRPKLDMYJHO-CQSZACIVSA-N 314.404 3.547 0 40 DHAB COc1ccc([C@H](O)CN[C@H]2CC(C)(C)Cc3occc32)cc1 95967219 KYCWPILOBLKWQK-DLBZAZTESA-N 315.413 3.625 0 40 DHAB CCOc1ccc([C@H]2CC(c3ccc(C)o3)=NN2C(C)=O)cc1 96191644 KXCOFPGYIYLCAG-QGZVFWFLSA-N 312.369 3.684 0 40 DHAB O=C1C[C@@]2(C[C@H]3C=C[C@H]2C3)C(=O)N1c1ccc(Cl)c(Cl)c1 100754395 OMEDDFSSTSLOIY-XQJJYNOISA-N 322.191 3.839 0 40 DHAB O=C(Nc1cccc(Cl)c1Cl)c1cnc(C2CC2)nc1 222595459 GQVOQPFJMXNYMY-UHFFFAOYSA-N 308.168 3.913 0 40 DHAB CCc1ccc(O[C@H](CC)C(=O)NCCc2ccccc2)cc1 222871071 CUEBBANNSCQJCY-LJQANCHMSA-N 311.425 3.765 0 40 DHAB CCNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224189049 LFBMCSGXZVZRMJ-UHFFFAOYSA-N 313.397 3.641 0 40 DHAB Nc1cc(NC(=O)c2ccccc2F)ccc1N1CCCCC1 226266081 LXTGMZKJICSOPR-UHFFFAOYSA-N 313.376 3.651 0 40 DHAB Cc1cc(-c2cccc(CO[C@@H]3CCOC3)c2)c(C(=O)O)s1 579972543 ATFRSTCHOISJEV-CQSZACIVSA-N 318.394 3.727 0 40 DHAB CN1CCC[C@H]1c1ccnc(N2CC3(CCCCC3)OC2=O)c1 1848356441 HCYBNNKFVLUDLP-HNNXBMFYSA-N 315.417 3.508 0 40 DHAB CC(C)OC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2 35552 NVDUUZXBPVNSKW-UHFFFAOYSA-N 307.415 3.541 0 40 DHAB CSc1cccc(S(=O)(=O)c2cccc(SC)c2)c1 225782 RQHVCSXYKZTPNV-UHFFFAOYSA-N 310.465 3.963 0 40 DHAB CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccccc1 481524 ZJTNXABIWQSUNT-UHFFFAOYSA-N 324.767 3.959 0 40 DHAB Cc1ccc(-c2cc3nn(-c4ccccc4)c(N)c3c(=O)o2)cc1 481592 DXQJQYREKFDBNN-UHFFFAOYSA-N 317.348 3.536 0 40 DHAB CC(C)=CC/C=C1\CC[C@@H]2C(=O)N(c3ccccc3)NC(=O)[C@@H]2C1 485672 LAQLAJSRFNHUCR-OCRUZJPSSA-N 324.424 3.763 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCCSc1ccccc1 3105118 FJMQYDWYUXSVPQ-UHFFFAOYSA-N 305.830 3.791 0 40 DHAB Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1Cl 3313921 ZCHLHYMRNKPDRV-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB Cc1ccc(-c2nnc3sc(-c4cccc(F)c4)nn23)cc1 4664983 PCFNDVNNWAXWKD-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)ccc3CC[C@H]21 5004483 BSKWXDWRTACMCC-BHIYHBOVSA-N 302.414 3.879 0 40 DHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 5533279 AWSHPZVBAHWGDS-NSHDSACASA-N 314.772 3.718 0 40 DHAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1ccc(F)cc1 6097971 XVZNGMMHWBQOJL-NSHDSACASA-N 319.405 3.507 0 40 DHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccncc1 6623591 SBIANZWFJPOJIG-UHFFFAOYSA-N 302.377 3.608 0 40 DHAB O=C(/C=C/c1ccccc1)NCCOc1ccc(Cl)cc1 7269969 LOGMLARTXLZBMN-IZZDOVSWSA-N 301.773 3.548 0 40 DHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)cc1F 7878315 UXNGIKIZYQXPEG-JTQLQIEISA-N 322.380 3.584 0 40 DHAB Clc1ccc(C2=NN=C(NC3CC3)SC2)c(Cl)c1 8133571 MEBQFAATIOVHBC-UHFFFAOYSA-N 300.214 3.552 0 40 DHAB COc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2N(C)C)cc1 8649757 OXAGXIJNIDFWFC-UHFFFAOYSA-N 320.392 3.784 0 40 DHAB O=C(NC1CC1)c1cccc(NC(=O)c2cc3ccccc3o2)c1 8751872 NOSGWJLLQYKHAH-UHFFFAOYSA-N 320.348 3.577 0 40 DHAB CCOc1cc2cc(C(=O)c3ccccc3O)cnc2cc1OC 9644608 CLJMCQVEWJNSKW-UHFFFAOYSA-N 323.348 3.579 0 40 DHAB CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 11428898 CHXRYGKLGPRFCT-LLVKDONJSA-N 316.426 3.919 0 40 DHAB CN(C)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 12595568 YXXSDUXRQRLAHY-UHFFFAOYSA-N 315.442 3.730 0 40 DHAB CCCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 12815140 UURBXJVTXAEIAX-MRXNPFEDSA-N 308.381 3.704 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1ccoc1C)O[C@H](C)C2 13006488 CLOFQTBHPSWWEI-SNVBAGLBSA-N 301.342 3.562 0 40 DHAB CCn1c(C)nnc1SCc1cccc(Br)c1 13989857 LLGIHAVFISWRJT-UHFFFAOYSA-N 312.236 3.661 0 40 DHAB O=C(Nc1ccc(Cl)cc1F)c1cc(=O)[nH]c2ccccc12 16046584 GSJKVAYMEGWYAL-UHFFFAOYSA-N 316.719 3.573 0 40 DHAB CC1(C)CC(=O)CC(C)(C)C1NC(=S)Nc1ccccc1 16577706 BERRPWJSGSGKGJ-UHFFFAOYSA-N 304.459 3.757 0 40 DHAB COc1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1 16598332 TURVRWCYLPAIOD-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB Fc1cccc(-c2nc3cnccn3c2NCc2ccco2)c1 19294325 ZGVLKJDHZXLJPQ-UHFFFAOYSA-N 308.316 3.741 0 40 DHAB Cc1ccc(Oc2ncc(CN3C[C@@H](C)O[C@H](C)C3)s2)cc1 20219029 JOIJKJHWKVKTQP-ZIAGYGMSSA-N 318.442 3.853 0 40 DHAB Cc1cc(N2CCCC2)nc(COc2ccccc2Cl)n1 20765525 KSIRYIGIVLKOSA-UHFFFAOYSA-N 303.793 3.618 0 40 DHAB CCCCC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 21209252 NDINMOFELQLPBJ-UHFFFAOYSA-N 315.373 3.730 0 40 DHAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2c(C)cccc2C)cc1 25054634 HJKZBWUKEXOWFB-FMIVXFBMSA-N 308.381 3.914 0 40 DHAB COc1cc2c(cc1OC)CN(c1ccc3ccccc3n1)CC2 25390869 BSFWGAXBDAOEPJ-UHFFFAOYSA-N 320.392 3.815 0 40 DHAB Cc1ccc(OC[C@@H](O)CN2CCC(C)CC2)c(C(C)(C)C)c1 27531031 XVLCCMGLLHQIMU-KRWDZBQOSA-N 319.489 3.764 0 40 DHAB Cc1ccccc1Cn1ccc(NC(=O)CCc2ccccc2)n1 28230686 SXNMDMYCMQAOKO-UHFFFAOYSA-N 319.408 3.811 0 40 DHAB Cc1ccc2nc(NC(=O)c3cc(Cl)cn3C)sc2c1 28818334 POYCMEPGWFSTGV-UHFFFAOYSA-N 305.790 3.849 0 40 DHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1C 32603642 YLBVXEJTZYBWRF-UHFFFAOYSA-N 317.454 3.823 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)N(C)CCOc1ccc(Cl)cc1 32863295 ITWSQPXRHVCQDU-CZUORRHYSA-N 324.852 3.939 0 40 DHAB CCONC(=O)c1cc2sc(Nc3ccccc3)nc2s1 32907423 QSZFPDSUPGTTRQ-UHFFFAOYSA-N 319.411 3.783 0 40 DHAB N[C@@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccccc1 37799820 QCGWXFZNCUJJHK-GJZGRUSLSA-N 300.427 3.502 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)OCO2 38752210 KZEIPMWMSBSPCR-OAHLLOKOSA-N 313.353 3.520 0 40 DHAB CC(C)OCc1ccc(CNC(=O)CCc2ccsc2)cc1 40122254 FNVPBDOFVZICED-UHFFFAOYSA-N 317.454 3.922 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1Cl 40526883 QIRBRTNRYPRADT-PHIMTYICSA-N 323.824 3.808 0 40 DHAB CC(C)c1ccc(OC[C@@H]2CCCNC2)c(Br)c1 42774713 GVYYXJYEMSSNNV-GFCCVEGCSA-N 312.251 3.951 0 40 DHAB CC(=O)Oc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1 43209913 WKVDAWDCDYQGOR-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB Cc1cc(NC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)no1 47968819 SEPQVSYJBZLOAB-IINYFYTJSA-N 315.373 3.896 0 40 DHAB Cc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)cc1F 48292111 FQKCZUIRXNNQCM-UHFFFAOYSA-N 312.388 3.851 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)CCc2ccc(Cl)s2)on1 53403033 ZULYVTJNPZQEND-LBPRGKRZSA-N 324.833 3.994 0 40 DHAB O=C(NCc1ccco1)c1cccc(COc2ccccc2)c1 54912390 BYLJXJGLFADSOJ-UHFFFAOYSA-N 307.349 3.789 0 40 DHAB CC(C)[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 57315424 AAVNHHQXYQPJII-KRWDZBQOSA-N 317.820 3.660 0 40 DHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)C(C)C 57545358 SAEGAQNITORTQQ-LBPRGKRZSA-N 303.406 3.510 0 40 DHAB Cc1noc(Cl)c1CC(=O)Nc1ccc(C)c2ncccc12 69419085 SKBDDJMPAQGITK-UHFFFAOYSA-N 315.760 3.674 0 40 DHAB CN(CCOc1cccc(Cl)c1)Cc1nnc(C(C)(C)C)o1 69440513 KPGHXQMARJSGPP-UHFFFAOYSA-N 323.824 3.531 0 40 DHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc2c(ccn2CC(C)C)c1 69488533 FEWAERXVNUVZLU-UHFFFAOYSA-N 324.428 3.900 0 40 DHAB Cc1cccc(OC(F)F)c1NC(=O)c1cccc2c1OCO2 69527802 MDFQUPPGQFWHML-UHFFFAOYSA-N 321.279 3.577 0 40 DHAB Cc1cc(C)cc(N[C@@H](C)C(=O)NCCc2cccs2)c1 70817542 KGEBWLXXBCJMIS-AWEZNQCLSA-N 302.443 3.524 0 40 DHAB Cc1c(NC(=O)N(C)Cc2ccncc2)cccc1OC(F)F 71854971 OIJXZTDZAJPRRN-UHFFFAOYSA-N 321.327 3.655 0 40 DHAB CC(C)[C@H](C)CC(=O)N(Cc1ccncc1)Cc1cccnc1 71903926 COMLJCGUOQOWER-MRXNPFEDSA-N 311.429 3.688 0 40 DHAB NCC1(c2cc(-c3ccc(Br)cc3)on2)CCCC1 72220694 NBNYWFTZXVFEEI-UHFFFAOYSA-N 321.218 3.875 0 40 DHAB Oc1ccc(O)c(-c2ccnc3cc(-c4ccc(F)cc4)nn23)c1 72404006 YPNCNNIQADABAL-UHFFFAOYSA-N 321.311 3.614 0 40 DHAB c1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)nc1 76176420 SVSWRLMEXCHOLF-CYBMUJFWSA-N 312.398 3.530 0 40 DHAB COC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 78401076 HQKBOFJZMNURIZ-UHFFFAOYSA-N 314.728 3.844 0 40 DHAB CC(C)[C@H](CCO)Nc1ccnc2cc(Br)ccc12 78903475 GTQMVQNQVYQQCK-ZDUSSCGKSA-N 323.234 3.816 0 40 DHAB NC(=O)c1ccc(NCc2csc(C3CCCC3)n2)cc1 79065830 IILLCBUKEDTTNH-UHFFFAOYSA-N 301.415 3.512 0 40 DHAB Cc1noc(CNc2ccccc2CN(C)C2CCCCC2)n1 84286746 KLWQGVCGLGSYMF-UHFFFAOYSA-N 314.433 3.755 0 40 DHAB Cc1ccc(-c2noc(COc3cccc(C=O)c3)n2)c(C)c1 89262889 HHTLOLLQFOWCOM-UHFFFAOYSA-N 308.337 3.745 0 40 DHAB Cc1nccn1CCN1CCC[C@H]1Cc1ccccc1Cl 89735724 DGBSGGNWFDUDNX-INIZCTEOSA-N 303.837 3.552 0 40 DHAB Cc1cc(Sc2nnc(C(C)C)n2C2CC2)nc(C2CC2)n1 95397825 TWOHOAAHRKBCEQ-UHFFFAOYSA-N 315.446 3.863 0 40 DHAB Cc1nccn1CCCN[C@H]1CC2(CCC2)Oc2ccccc21 95420537 FPTSUFUMLOAPIM-KRWDZBQOSA-N 311.429 3.618 0 40 DHAB Cc1cc(C)cc([C@H](N[C@H](C)c2cnn(C)c2)c2cccnc2)c1 95422186 TZBXRSCTSFHMFZ-OXQOHEQNSA-N 320.440 3.872 0 40 DHAB CC(=O)c1ccc(Br)cc1OCc1nc(C)c(C)o1 95427700 FFRNDDXVGOVZCP-UHFFFAOYSA-N 324.174 3.836 0 40 DHAB CCOCCOc1ccc(Cl)cc1NCc1cscn1 95429037 TUYOGLDTNAAZDT-UHFFFAOYSA-N 312.822 3.824 0 40 DHAB O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccoc1 95971389 BFCMUGCVJCQROZ-UHFFFAOYSA-N 323.102 3.542 0 40 DHAB Cc1nc(C[S@@](=O)Cc2ccc(F)cc2Cl)oc1C 97083583 KWQFLCHJWMWPRM-LJQANCHMSA-N 301.770 3.533 0 40 DHAB C[C@H](N[C@H](C)c1ccncc1)c1nc(-c2cccs2)no1 97370700 YOOJAUVNNRCMJE-MNOVXSKESA-N 300.387 3.605 0 40 DHAB C/C(O)=C1/C(=O)N[C@@]23CCCC[C@@H]2[C@@H]1c1cc(Cl)ccc1O3 104149438 GPUFUHHFUPADPT-XGURTIPYSA-N 319.788 3.664 0 40 DHAB CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 118311821 ATYDSIJHMSGNKM-NWDGAFQWSA-N 312.207 3.830 0 40 DHAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccoc2C)c1 131527757 DNINQCNFRRXCBB-NSHDSACASA-N 318.398 3.666 0 40 DHAB C[C@@H](CC(F)(F)F)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 158013533 OWVVFDKUZXHOPO-WDEREUQCSA-N 322.321 3.722 0 40 DHAB Cc1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1Cl 216955169 ZKWBLCZLANHPPR-UHFFFAOYSA-N 313.740 3.990 0 40 DHAB COC(=O)c1cccc(NC(=S)NC2CCCCCC2)c1C 225353398 RRYFATFRPXORJZ-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)c1cc(C)c(C)cc1C 225649570 LVOXJBJYEWXTCH-SFHVURJKSA-N 316.489 3.996 0 40 DHAB COc1ccc(NC(=S)Nc2cccc(C(=O)O)c2C)cc1 408585957 LSOJFRRUHGOFSY-UHFFFAOYSA-N 316.382 3.511 0 40 DHAB O=C(NCc1nccnc1-c1ccsc1)Nc1cccs1 575618307 GSDIFJIDNRUVPQ-UHFFFAOYSA-N 316.411 3.588 0 40 DHAB CCOc1ccccc1CCC(=O)NCc1cncc(C2CC2)c1 575619241 JNKKTZOPMNMTQF-UHFFFAOYSA-N 324.424 3.607 0 40 DHAB CC(C)(C)OC(=O)Nc1cc2c[nH]nc2cc1Br 584601067 MSTCOTHOOSFIRZ-UHFFFAOYSA-N 312.167 3.672 0 40 DHAB Cc1ccc(N)c(C(=O)Nc2ccc(Br)cc2)c1 100025 IUGHSRUVYPXSLW-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CC(=O)Oc1ccc(-c2nc3ccc(C(=O)O)cc3s2)cc1 226033 NUNPZIKBOGZEAL-UHFFFAOYSA-N 313.334 3.587 0 40 DHAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 259731 VYRDYVCLHVLNRQ-MRXNPFEDSA-N 322.408 3.802 0 40 DHAB COc1cc2sc(NC(=O)c3ccco3)nc2cc1Cl 360369 ZDNOADZFKLEWJW-UHFFFAOYSA-N 308.746 3.804 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1 365123 BPPSKNAPHRLTSB-LLVKDONJSA-N 305.761 3.760 0 40 DHAB COc1ccc([C@@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 519346 RJYHUHMMBLCXKJ-BHHKEHIISA-N 302.414 3.594 0 40 DHAB biogenic O[C@]1(Cc2ccccn2)c2ccccc2C[C@@H]1c1ccccc1 1730370 VIQVBGUQONMGJF-NHCUHLMSSA-N 301.389 3.852 0 40 DHAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1nccs1 2621347 LXJPEVNTWAKSPK-UHFFFAOYSA-N 318.427 3.530 0 40 DHAB CCOC(=O)c1c(NC(=O)c2ccco2)sc(C)c1CC 2745567 GYLAMJMWULNCSM-UHFFFAOYSA-N 307.371 3.641 0 40 DHAB Cc1ccc(Cn2ccc(NC(=O)NC3CCCCC3)n2)cc1 2762502 XOTOXZHELXNKGV-UHFFFAOYSA-N 312.417 3.694 0 40 DHAB CC[C@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 3472838 UDMATNXERNCUNN-JTQLQIEISA-N 324.446 3.956 0 40 DHAB CCCCC[C@@H](C)NC(=O)CCC(=O)N[C@H](C)CCCCC 5951413 WWWLIBSYIKCXEK-HZPDHXFCSA-N 312.498 3.937 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 6307066 BOPKAHUONIEPIW-UGSOOPFHSA-N 311.381 3.979 0 40 DHAB Cc1ccc(F)cc1NC(=O)Cn1cc(C=O)c2ccccc21 6755367 VFRCEBZMVCQMMS-UHFFFAOYSA-N 310.328 3.540 0 40 DHAB COc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 9988650 CETNOFFERJGBPU-UHFFFAOYSA-N 323.314 3.687 0 40 DHAB COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2cccnc2)c1 12085288 XAGFKPXRNZMYRL-UWVAXJGDSA-N 324.424 3.522 0 40 DHAB CCCc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 12603305 LUZWDDLJKJNDOK-UHFFFAOYSA-N 319.408 3.578 0 40 DHAB Cc1cc(Cl)ccc1Nc1nc(Cl)nc2c1cnn2C 16837587 WIQLJGBUKOZXKJ-UHFFFAOYSA-N 308.172 3.722 0 40 DHAB O=c1c2ccccc2cnn1Cc1ccc(Cl)cc1Cl 17477753 OSGFIVXGPWSWSI-UHFFFAOYSA-N 305.164 3.752 0 40 DHAB CC(=O)c1nn(-c2ccccc2)/c(=N/c2ccccc2)cc1C 18031500 KXJVZIXJELLFKF-CZIZESTLSA-N 303.365 3.616 0 40 DHAB CCC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccccc1 18135137 QHFPDTVOZRAILI-LJQANCHMSA-N 324.424 3.845 0 40 DHAB Cc1nn2c(O)cc(-c3ccccn3)nc2c1-c1ccc(F)cc1 19582042 LPBXFOWIGJEXJF-UHFFFAOYSA-N 320.327 3.611 0 40 DHAB COc1ccc2c(ccn2CC(=O)NC2CCCCCCC2)c1 20745523 PURZRJAVVLZQSX-UHFFFAOYSA-N 314.429 3.879 0 40 DHAB CC(C)CCC[C@@H](C)NC(=O)Cc1cnc(-n2cccc2)s1 20763002 HVTQXCBFXOOHMQ-CQSZACIVSA-N 319.474 3.807 0 40 DHAB biogenic c1ccc2oc(N3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2c1 22530583 NQMXMJQXINKTNF-HNNXBMFYSA-N 322.364 3.941 0 40 DHAB O=C(COc1cccc2cccnc12)NCCC1=CCCCC1 23376343 LJXXVCTWLGXEJY-UHFFFAOYSA-N 310.397 3.620 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1C 24830727 FFUFAGRVZYOOLK-SFHVURJKSA-N 310.397 3.715 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 25009326 HVOSGDHQMGZSFL-UHFFFAOYSA-N 305.381 3.681 0 40 DHAB CN(Cc1ccco1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 25055049 VWDINLIUBZVLEU-UHFFFAOYSA-N 315.760 3.595 0 40 DHAB CC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 25250578 RTMKXSHLCBAWLE-UHFFFAOYSA-N 314.288 3.617 0 40 DHAB CC(C)c1noc([C@@H](C)N(C)Cc2nc3ccccc3s2)n1 27809232 WBMWAUUMGFDRHV-LLVKDONJSA-N 316.430 3.996 0 40 DHAB Cc1cccc(NC(=O)N2C(=O)CSc3ccccc32)c1C 28527546 CBFMASFCIPJFRK-UHFFFAOYSA-N 312.394 3.974 0 40 DHAB COc1cc(C)c(NC(=O)c2cccc3ncccc23)cc1OC 32871983 GPDQFWJXVWSTSZ-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCc2ccccc2C1 32922708 CQRMAWYBGNPDSE-UHFFFAOYSA-N 322.339 3.679 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 34798105 ZOSHTBGCFMCDRD-ZOBUZTSGSA-N 301.430 3.899 0 40 DHAB NNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 39176239 PYBBKYJJFLTSDX-UHFFFAOYSA-N 319.343 3.512 0 40 DHAB Cc1c(C(=O)N2CCC[C@@H]2c2cccs2)cnn1C(C)(C)C 40141315 WDNFJSIFDLMKQT-CQSZACIVSA-N 317.458 3.985 0 40 DHAB Cc1cc(C)cc(NC(=O)c2ccc(Br)c(N)c2)c1 40294489 HDUUBZDOACVWRG-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB COc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 44950862 RJORZVKCDPDJHJ-LBPRGKRZSA-N 303.387 3.521 0 40 DHAB O=C(CSCc1ccccc1)NCc1cc(F)cc(F)c1 48343569 BIYLVOOKAHEGRF-UHFFFAOYSA-N 307.365 3.514 0 40 DHAB CCCOc1ccccc1NC(=O)c1cc2ccccc2c(=O)[nH]1 48435133 OQSGOYGPRJOLHP-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1F 53163990 LRVAKCXBWIXLQL-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB CCCC[C@@H](CC)CNC(=O)CCc1ccc2c(c1)OCO2 53674978 JMHAIRZSORCOCJ-CQSZACIVSA-N 305.418 3.681 0 40 DHAB CC(C)(C)n1cc(NC(=O)c2csc(-c3ccoc3)n2)cn1 71888265 QVWWNKAHFBOSDU-UHFFFAOYSA-N 316.386 3.607 0 40 DHAB CCOc1cccc(CNC(=O)c2cc(F)ccc2Cl)c1 72331778 RBXRTYBDRBTJMJ-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB CCOc1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1 72332505 QTGUCJGNVYYDHL-UHFFFAOYSA-N 306.321 3.735 0 40 DHAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2cccc(F)c2)C1 72406445 IYKZLLLLTWGPIR-AWEZNQCLSA-N 311.316 3.787 0 40 DHAB Cc1ccnc(S[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 79440826 KROJLDLJWZQBME-ZDUSSCGKSA-N 308.447 3.882 0 40 DHAB Cc1ncccc1NC(=O)N1CCSC2(CCCCC2)C1 79817593 LWDVPSHFBJRUFE-UHFFFAOYSA-N 305.447 3.674 0 40 DHAB O=C(O)[C@H](c1ccccc1Cl)N1CCc2ccsc2C1 91693023 WZYLEYOEGIPXKY-AWEZNQCLSA-N 307.802 3.586 0 40 DHAB C[C@H](c1cccs1)[S@@](=O)Cc1noc(-c2ccccc2)n1 95428099 XHFNFEOSFZWVCM-WSVYEEACSA-N 318.423 3.808 0 40 DHAB Cc1ccc(SCC(F)(F)F)c(NCc2ncc[nH]2)c1 95429238 PLVUNMAHPHVOBD-UHFFFAOYSA-N 301.337 3.985 0 40 DHAB Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1cccc2cccnc12 95434357 VGKVMYUQEQPHAT-NSHDSACASA-N 324.384 3.765 0 40 DHAB CCSc1ccccc1OCc1nc(-c2ccccn2)no1 95438632 ULRWQPVAIPYVRL-UHFFFAOYSA-N 313.382 3.823 0 40 DHAB C[C@@H](c1ccccn1)N(C)Cc1cnc(-c2cccnc2)s1 97113651 AYOOZIIJVRNMPG-ZDUSSCGKSA-N 310.426 3.793 0 40 DHAB COc1cccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2Cc2ccccn2)c1 100112178 YBKLQPLDFPGHIL-RIFZZMRRSA-N 324.424 3.522 0 40 DHAB CC1(C)C[C@@]2(C)C[C@H]1C[C@@H]2OC(=O)c1ccccc1C(=O)O 100473568 ZSKLSZZSGZABIR-CDNVCLAFSA-N 302.370 3.756 0 40 DHAB biogenic CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CNC1CCCCC1)C2 101213877 SFEWGPJTCPCSHS-WFEDQXDTSA-N 309.494 3.501 0 40 DHAB Cc1ncsc1CN[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 107151394 RLDBTHYNMMIFNI-YOEHRIQHSA-N 315.486 3.594 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(F)cc1 113953701 LFHJEWVTMBVKPM-QGZVFWFLSA-N 301.361 3.608 0 40 DHAB Cc1[nH]c2ccccc2c(=O)c1CCC(=O)OCc1ccccc1 217432688 AYADMEYMQPBFNR-UHFFFAOYSA-N 321.376 3.513 0 40 DHAB CN(C)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225150921 VZHIZYAXNANWDB-HNNXBMFYSA-N 319.788 3.690 0 40 DHAB FC(F)COCCSc1nnc(-c2ccccc2Cl)o1 225441958 OHYSLOCMZFOTOH-UHFFFAOYSA-N 320.748 3.764 0 40 DHAB C[C@H](C[C@H](O)c1ccco1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 249401990 VMVTWQKWNLVPON-LPWJVIDDSA-N 305.340 3.802 0 40 DHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccsc3)S2)cc1 408783985 OZHMRFRVNKKKNL-MBSJSRAVSA-N 316.451 3.910 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(C(=O)O)cc2F)s1 566359352 RHSCHKSAVVYOHD-SNVBAGLBSA-N 322.405 3.790 0 40 DHAB O=C(CCc1cccc(Cl)c1)NC[C@H]1COc2ccccc21 674485546 ORCRJPVAXLUJGO-AWEZNQCLSA-N 315.800 3.565 0 40 DHAB O=C(NCc1cccs1)NCC(c1ccco1)c1ccco1 675007867 XIYBLFZYSNYRJU-UHFFFAOYSA-N 316.382 3.565 0 40 DHAB CN1CCC(=C2CC=CC3=C2c2sccc2CC(=O)C3)CC1 1569992543 FVAIJCVHXPCCHJ-UHFFFAOYSA-N 311.450 3.999 0 40 DHAB FC(F)(F)c1ccnc(N2CC3(CC(c4ccccc4)C3)C2)n1 1776000735 HTMILBJMVIKDEI-UHFFFAOYSA-N 319.330 3.879 0 40 DHAB Fc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1Cl 1888910621 DFPDJQPKFTVZBY-UHFFFAOYSA-N 303.728 3.697 0 40 DHAB Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN(C)C 150210 MBCURXHJWNCGCZ-UHFFFAOYSA-N 308.381 3.690 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 222166 CULKHJRCHPFENE-IRXDYDNUSA-N 308.360 3.872 0 40 DHAB COc1cc(O)ccc1[C@H]1Nc2ccccc2-c2cc(C)nn21 382433 HHBSDALGQHQUCN-SFHVURJKSA-N 307.353 3.545 0 40 DHAB CCN(CC)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 410614 GMZXCJKRGUDCJG-UHFFFAOYSA-N 323.487 3.577 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]21 1191719 GTTMLWKWWDNIDO-PURYLZLUSA-N 307.393 3.561 0 40 DHAB Cc1nnsc1NC(=O)OCc1ccc(C(C)(C)C)cc1 1392282 IXKDSEPYQIEOFW-UHFFFAOYSA-N 305.403 3.893 0 40 DHAB O[C@@H](CC(O)(C(F)(F)Cl)C(F)(F)Cl)c1ccccc1 1637023 ZGRPQOKXVFKJQN-QMMMGPOBSA-N 321.097 3.504 0 40 DHAB COc1ccc2c(c1)c(C(=O)[C@@H](C)N1CCCCC1)c(C)n2C 4817348 UDSLDAWTPGHEOA-CQSZACIVSA-N 314.429 3.552 0 40 DHAB CCCn1c(NC(=O)c2ccc(OC)cc2)nc2ccccc21 4900444 KUIYEAHGTGQSLQ-UHFFFAOYSA-N 309.369 3.707 0 40 DHAB CCN[C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 5472146 LALGVBGKEVDTEZ-QGZVFWFLSA-N 321.376 3.717 0 40 DHAB O=C1N[C@@H](CCSc2ccc(Cl)cc2)Oc2ccccc21 6243257 MLXIIRIVRPWCBN-OAHLLOKOSA-N 319.813 3.971 0 40 DHAB CCOc1ccc(NC(=S)NCc2ccccc2OC)cc1 6329323 KHJQRZIOBLDYTN-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB CCCCc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 6652851 IMWIIZSFFCGVLO-RHSMWYFYSA-N 316.445 3.663 0 40 DHAB CC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383029 SDOFJNKWUZJVFR-UHFFFAOYSA-N 308.381 3.742 0 40 DHAB O=C(CCc1ccco1)Nc1ccc2c(c1)OC1(CCCC1)O2 7735338 DWZDEAXOEYEFHK-UHFFFAOYSA-N 313.353 3.892 0 40 DHAB S=C(NCc1coc(-c2cccs2)n1)Nc1ccccc1 8132313 CMVQPMWBUGCJBI-UHFFFAOYSA-N 315.423 3.890 0 40 DHAB COc1cccc(CNC(=O)c2c(-c3ccccc3)noc2C)c1 8248836 YOIXELJTQVXXOB-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB O=C(OCc1ccc(F)cc1)c1cncn1-c1ccc(F)cc1 9834130 LNROMCYFGSTYFI-UHFFFAOYSA-N 314.291 3.508 0 40 DHAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccccc1Cl 10677485 OVZRQAVIFBTRBN-INIZCTEOSA-N 321.829 3.770 0 40 DHAB CCOC(=O)c1cc(NC(=O)c2cccs2)ccc1Cl 10824652 OVMFUTLLWVHQSD-UHFFFAOYSA-N 309.774 3.831 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1Cl 12735195 BIGYBXCLLLGSNL-UHFFFAOYSA-N 324.714 3.829 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1F 12937514 BJAIYANZHQQKFX-UHFFFAOYSA-N 312.344 3.735 0 40 DHAB Cn1c(=O)sc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 15830643 BMZYAYKDSHYSEJ-UHFFFAOYSA-N 318.785 3.506 0 40 DHAB CCCC(CCC)C(=O)N1CCN(Cc2ccccc2)CC1 19419622 OSHDEAUXWKATNF-UHFFFAOYSA-N 302.462 3.547 0 40 DHAB COc1ccc2[nH]c(C)c(CCNCc3ccccc3F)c2c1 19798228 HPXOYMIRXBFRFT-UHFFFAOYSA-N 312.388 3.956 0 40 DHAB Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1C 22463304 BRSGPNFMXHZYJV-HXUWFJFHSA-N 322.452 3.870 0 40 DHAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccoc1 24470041 ARMGQPNEIAEICU-UHFFFAOYSA-N 313.334 3.813 0 40 DHAB Cc1ccc(C)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 25759067 GYDQEABEWIRZLY-UHFFFAOYSA-N 314.301 3.566 0 40 DHAB CCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27663857 HIDPYNRFYJXCER-INIZCTEOSA-N 308.853 3.783 0 40 DHAB CCOC(=O)N[C@H]1Sc2ccccc2N=C1c1ccccc1 28294054 UYXBECCSTJVKOL-INIZCTEOSA-N 312.394 3.985 0 40 DHAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cccnc1 32073493 VRHXDEJGSYPNEN-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](C)c1cccs1 32475896 ZWGMNHRSFJNKKP-STQMWFEESA-N 315.438 3.882 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)on2)cc1 36395293 KVANLNRAOWNTRK-UHFFFAOYSA-N 322.320 3.631 0 40 DHAB COc1ccc(CCC(=O)Nc2ccnn2C2CCCC2)cc1 39978504 SVFSCJZZNYKOST-UHFFFAOYSA-N 313.401 3.578 0 40 DHAB CC(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccccc2)s1 40104047 VFJZFJZLYNAPQS-LLVKDONJSA-N 304.419 3.886 0 40 DHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C=C1CCCCC1 48342931 YTJPCNXQXRCNKA-UHFFFAOYSA-N 314.429 3.591 0 40 DHAB Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 49335983 WYOLQZSOHXMASC-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]1c1ccccn1 55517934 UHXDDXCRPIXSIA-IBGZPJMESA-N 317.392 3.850 0 40 DHAB CC[C@@H](C)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 58225211 YZQHSURUMOVGBP-CYBMUJFWSA-N 317.408 3.653 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](C)CC3)c12 62927368 AVKKENODVMNPEH-LLVKDONJSA-N 313.401 3.671 0 40 DHAB CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](C)c1ccncc1 69349028 ONMATKABPQHHCJ-LBPRGKRZSA-N 319.355 3.653 0 40 DHAB CC(C)Oc1cc(C(=O)Nc2nccs2)cc2occc12 71195361 YOUUJTYNLZYQMN-UHFFFAOYSA-N 302.355 3.929 0 40 DHAB CCO[C@H](C)c1noc(CN(Cc2ccccc2)C(C)C)n1 71914903 IATVFPCRYDIYKY-CQSZACIVSA-N 303.406 3.578 0 40 DHAB CC(C)(C)OC(=O)N(c1ccc(C2=NCCC2)cn1)C1CC1 72215303 NTTYOMMCJIDBDW-UHFFFAOYSA-N 301.390 3.568 0 40 DHAB CCc1csc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 72282252 LKJXNIZAFGNNPX-UONOGXRCSA-N 304.459 3.768 0 40 DHAB CO[C@@]1(C)C[C@@H](N(C)Cc2nc3ccccc3s2)C1(C)C 72305312 HSTRWGMSSPVTFH-PBHICJAKSA-N 304.459 3.932 0 40 DHAB Cc1ccc(NC(=O)c2c(C)c3ccccc3oc2=O)c(C)c1 75105453 YPEWUPGTQNBVKK-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB OCc1cccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 95421975 NUAKBEGJOSRDTR-GOSISDBHSA-N 309.409 3.715 0 40 DHAB Cc1nc(-c2cccc(F)c2)nc2c1CN(Cc1ccoc1)CC2 96253943 URDFMRGQEAGCSF-UHFFFAOYSA-N 323.371 3.742 0 40 DHAB Brc1ccc(C2(NCc3ccccn3)CC2)cc1 96403762 AGYJCEZXSWZBKP-UHFFFAOYSA-N 303.203 3.623 0 40 DHAB CCc1nc(C)c([C@H](C)N(C)Cc2nnc(C(C)C)o2)s1 96424509 YVYQHIXWBOFHSG-NSHDSACASA-N 308.451 3.713 0 40 DHAB CN(Cc1cccn1C)C(=O)NCc1csc2ccccc12 96473382 BJVJTPSRPCOEKQ-UHFFFAOYSA-N 313.426 3.581 0 40 DHAB CCc1ccsc1CN[C@@H](C)c1ccc([S@](C)=O)cc1 96479219 XXFCVBOWKNWSQX-FKIZINRSSA-N 307.484 3.899 0 40 DHAB C[C@@H](c1ccccc1)N1CCCN(C(=O)c2ccccc2)CC1 97132244 JMBDWKKGOUZKHY-KRWDZBQOSA-N 308.425 3.596 0 40 DHAB Cc1noc(C)c1CN1CCCCC[C@H]1C[C@@H](O)c1ccco1 107589782 UKFCSWBTBKAHNL-DOTOQJQBSA-N 318.417 3.753 0 40 DHAB c1ccc(C[C@H](NCCc2c[nH]c3ccccc23)C2CC2)nc1 151326727 XDJKXTKXSZXUNY-FQEVSTJZSA-N 305.425 3.716 0 40 DHAB Cc1ccc2c(c1)[C@H](NCc1nncn1-c1ccccc1)[C@@H](C)C2 180097867 IHKSGJPQRANFQY-MGPUTAFESA-N 318.424 3.599 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CCC(C)CC1 216864912 QKPONGFIKIJWCE-UHFFFAOYSA-N 303.450 3.798 0 40 DHAB CCc1ccc(CC(=O)N[C@@H](C)COc2ccccc2C)cc1 223558182 NAGAHRHZEIZDRK-INIZCTEOSA-N 311.425 3.684 0 40 DHAB CCc1ccc(CC(=O)NCCOc2cccc(C)c2C)cc1 223968220 SKNDUUGBFLGZDG-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 224155066 CPPBJCUTNSNDBL-CABCVRRESA-N 307.434 3.795 0 40 DHAB Cc1cc(C)c(C(=O)N2CCN(Cc3ccccc3)CC2)cc1C 225641522 OPBSQUZZLQKOBA-UHFFFAOYSA-N 322.452 3.570 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc2ccccc12 226211705 ATEILRMMIZTFGE-DTDBQYNISA-N 303.361 3.541 0 40 DHAB C[C@H](C[C@H](O)c1ccco1)N[C@H]1CCC[C@H](C(F)(F)F)C1 249402910 VMVTWQKWNLVPON-VOAKCMCISA-N 305.340 3.802 0 40 DHAB CCN(C(=O)c1cccc(C(=O)O)c1)[C@@H](C)Cc1ccsc1 263133499 XXSRDOYGZHZNOL-LBPRGKRZSA-N 317.410 3.540 0 40 DHAB CCCn1cc(Br)c(COCCC(F)(F)F)n1 408717327 YMBBNKNGVNHAOF-UHFFFAOYSA-N 315.133 3.525 0 40 DHAB Cn1c(CNC(=O)C[C@@H]2CCCC(C)(C)C2)nc2ccccc21 535162302 KZOQPROOLIKWFU-AWEZNQCLSA-N 313.445 3.796 0 40 DHAB COc1ccc(F)c(C(=O)N2CCc3cc(C)c(C)cc32)c1F 585082253 QCVFYOIMMQAAOK-UHFFFAOYSA-N 317.335 3.793 0 40 DHAB COc1ccccc1NC(=O)Nc1ccc(-c2ccncc2)nc1 585149389 LHQOOFNSHVQWAH-UHFFFAOYSA-N 320.352 3.796 0 40 DHAB CSc1cccc(NC(=O)c2ccc3nc(C4CC4)cn3n2)c1 1888909479 DEZLBBJRQADZHH-UHFFFAOYSA-N 324.409 3.581 0 40 DHAB CC(C)c1nccn1CC1CN(c2ccnc3ccccc23)C1 2087146136 NBNPXMXQXQTSAS-UHFFFAOYSA-N 306.413 3.691 0 40 DHAB CCCc1nc2ccccc2n1C[C@H](O)COC1CCCCC1 243036 TWZNCNVFWYJJPD-HNNXBMFYSA-N 316.445 3.699 0 40 DHAB COc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 359602 FFSJHJLOYCXMPA-XNTDXEJSSA-N 313.740 3.693 0 40 DHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1F 386252 QPZARQNSCLMGOB-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1noc2c1CCCCC2 426577 IZCYZMRZFGUUKX-UHFFFAOYSA-N 320.776 3.858 0 40 DHAB S=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1369635 RSUHUEUPLLOEOC-IRXDYDNUSA-N 315.486 3.521 0 40 DHAB Nc1c(-c2cccs2)cnc2c(-c3ccc(F)cc3)cnn12 1386218 ZPBHTNCLIWHQBB-UHFFFAOYSA-N 310.357 3.846 0 40 DHAB CSCC[C@H](N)c1nnc(SCc2cc(C)ccc2C)o1 2216097 IQJDYYVQCXRWKW-ZDUSSCGKSA-N 323.487 3.732 0 40 DHAB CCc1nc(OCCN(CC)CC)c2oc3ccccc3c2n1 2353174 TUQVFXJNYYHEKJ-UHFFFAOYSA-N 313.401 3.659 0 40 DHAB CCOC(=O)CCCCC(=O)c1ccc(Br)cc1 2567576 XBAUTCKEBKXFEV-UHFFFAOYSA-N 313.191 3.755 0 40 DHAB COP(=O)(OC)[C@@H](O)/C=C(\Cl)c1ccc(Cl)cc1 3120659 CNONALSSANSMRX-ZJRUKIMVSA-N 311.101 3.724 0 40 DHAB Cc1ccc(NC(=S)N(N)Cc2ccccc2)cc1Cl 3270518 YFMNZWHOLKFKSJ-UHFFFAOYSA-N 305.834 3.721 0 40 DHAB CCOC(=O)COc1cc(-n2cccc2)c(Cl)cc1Cl 4053025 JUOWLUGULZFVBU-UHFFFAOYSA-N 314.168 3.726 0 40 DHAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4245647 CHNXZKVNWQUJIB-SQDPYLFBSA-N 312.453 3.883 0 40 DHAB biogenic,in-vitro CCCC[C@H](CC)CNC(=O)CCC(=O)NC1CCCCC1 4616454 TYWNCLFMSGUBCD-HNNXBMFYSA-N 310.482 3.548 0 40 DHAB COC(=O)c1sccc1NC(=O)C12CC3CC(CC(C3)C1)C2 4646557 PJAYFGOTBRXVKN-UHFFFAOYSA-N 319.426 3.690 0 40 DHAB COC(=O)c1ccsc1NC(=O)Nc1cccc(Cl)c1 5526481 LECOHRWYWBZVJB-UHFFFAOYSA-N 310.762 3.832 0 40 DHAB COc1cc(NC(=O)c2cc(C)ccc2C)cc(OC)c1OC 5577502 FHHCBWWVOKBQCX-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB CC(C)(CO)NCc1ccc(OCc2ccc(Cl)cc2)cc1 6883150 XCRMGPHCRSIBGH-UHFFFAOYSA-N 319.832 3.780 0 40 DHAB CC(C)c1ccc(-n2ccnc2S[C@@H](C)C(=O)N(C)C)cc1 6933563 VLPQUXDFSGNXPB-ZDUSSCGKSA-N 317.458 3.565 0 40 DHAB Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(C)c3C)CC2=O)c1 7929062 NTIWMFKMWPWESA-INIZCTEOSA-N 323.392 3.570 0 40 DHAB COc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccs1 8320510 XYFLBZZLTBROFI-CQSZACIVSA-N 316.426 3.532 0 40 DHAB CC(C)(C)c1nnc(SCCCOc2ccccc2C=O)o1 8731641 DVJOQUDFVDUPPN-UHFFFAOYSA-N 320.414 3.741 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)no2)cc1 11916011 OHCYBSPCQQIOQE-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB Cc1sc2nc(CNc3cccc(Cl)c3)[nH]c(=O)c2c1C 13362346 VFHIRMIAQXYUPY-UHFFFAOYSA-N 319.817 3.867 0 40 DHAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2cccc(F)c2)o1 13640997 WAPUQIIKVAARCT-UHFFFAOYSA-N 314.316 3.867 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c1 13710724 UPXIMEBQYQCEPG-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccccc1OC 15471988 VDSUWMUSXDFPFT-XTZCOPOCSA-N 311.381 3.594 0 40 DHAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCCC2)s1 19819670 JDQLPQZRRWWFKK-UHFFFAOYSA-N 306.456 3.735 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)c2ccccc2OC)cc1 22367558 SWHWJKHLRKABBH-CQSZACIVSA-N 313.397 3.514 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3ncccc3C)no2)cc1C 27989391 BPZLYDZPUGITLQ-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB COc1ccc(CN[C@@H]2CCSc3ccccc32)cc1O 32735856 WJOFLWBNFDJVDA-CQSZACIVSA-N 301.411 3.728 0 40 DHAB C[C@H]1CC(C)(C)N(C(=O)CNC2CCCC2)c2ccccc21 35311380 CHCFMQIVMMNEOY-AWEZNQCLSA-N 300.446 3.838 0 40 DHAB Cc1ccc(-c2nc(-c3nnc(-c4ccccc4)o3)c(N)o2)cc1 35681791 FYSIVOMGTMQVKM-UHFFFAOYSA-N 318.336 3.949 0 40 DHAB Cc1cccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)c1 36635360 PQOSIZCKNANPLQ-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB O=C(NCc1cccs1)Nc1nc2c(F)cccc2s1 36709362 FMPCSQBSKPZOQM-UHFFFAOYSA-N 307.375 3.819 0 40 DHAB Cc1ccccc1NCCC(=O)NCc1ccc(Cl)cc1 40159854 HDHNHRRSHXZYBJ-UHFFFAOYSA-N 302.805 3.767 0 40 DHAB CN(C)c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cn1 40540791 MHZUBTGSCDWBDW-CQSZACIVSA-N 316.430 3.578 0 40 DHAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(N)=O)cc1 42521308 OFJZAKLNMNKFLG-UHFFFAOYSA-N 308.406 3.813 0 40 DHAB CNC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 44922124 LWGYHWKZLLZKDL-UHFFFAOYSA-N 304.802 3.764 0 40 DHAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1cccc(C(F)(F)F)c1 45010199 PVIRVUSCTBYBRT-SSDOTTSWSA-N 316.714 3.904 0 40 DHAB COc1ccccc1CN(C)C(=O)c1ccc(-c2cnco2)cc1 54126287 URRBRZYWOQJLGI-UHFFFAOYSA-N 322.364 3.622 0 40 DHAB CCOc1ccccc1OC1CCN(C(=O)CC(C)C)CC1 55614544 VWAJZDCSXMZLDH-UHFFFAOYSA-N 305.418 3.501 0 40 DHAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)n1 57523786 RBLPLKOYAFMWHZ-UHFFFAOYSA-N 313.744 3.521 0 40 DHAB COc1ccc(-c2nc(-c3cnccn3)sc2C)cc1OC 58265417 USSHUCWOGXBPKE-UHFFFAOYSA-N 313.382 3.593 0 40 DHAB Cc1cc(C(=O)NCC2(c3ccccc3)CC2)c(C)n1C1CC1 68119749 RWJXAABJVGWKEZ-UHFFFAOYSA-N 308.425 3.901 0 40 DHAB Cc1ccccc1C(=O)Nc1ccccc1NC1CCN(C)CC1 69530626 CEASSICATQQQFQ-UHFFFAOYSA-N 323.440 3.753 0 40 DHAB Cc1c(C(=O)N2CCC(N(C)C)CC2)sc2ccc(F)cc12 71822616 VWBHUBCDNHLNJS-UHFFFAOYSA-N 320.433 3.515 0 40 DHAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(C)cc1 72228949 FLFKYQUXOKCRFX-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB Cc1csc([C@@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)n1 72298763 IAHFYGUCOZCAKB-HUUCEWRRSA-N 322.474 3.507 0 40 DHAB CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)[C@@H](C)c1cccc(O)c1 72311480 VZEOSXCREMJPFX-RLFYNMQTSA-N 319.445 3.897 0 40 DHAB O=C(NCc1ccc2ccccc2c1)N1CCC2(CCOCC2)C1 74102923 OUTICQZUZGWIGP-UHFFFAOYSA-N 324.424 3.552 0 40 DHAB CN1CCC(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 74921075 ZDUHHIAQLPZAKW-UHFFFAOYSA-N 301.217 3.664 0 40 DHAB COCc1nc(CN2C[C@H](C)Oc3ccc(Cl)cc32)cs1 76005259 ZVOSVEUZQSGASM-JTQLQIEISA-N 324.833 3.730 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2cccs2)cc1 77113703 XCEDNYFHRMRQFG-OAHLLOKOSA-N 317.454 3.899 0 40 DHAB O=C(c1cccs1)C1CCN(c2ncccc2Cl)CC1 88727319 COEJQSFIXYYQQS-UHFFFAOYSA-N 306.818 3.896 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 89866376 GEYLVRWXJQBPQR-UHFFFAOYSA-N 316.258 3.828 0 40 DHAB C[C@]1(CO)CCCN(Cc2ccc(SC(F)(F)F)cc2)C1 93341061 DAJWWGPBDHZTKQ-AWEZNQCLSA-N 319.392 3.893 0 40 DHAB COCCNc1ccc(CN[C@H](C)c2sccc2C)cc1 95421903 LIOIWZDEPSOJHE-CQSZACIVSA-N 304.459 3.966 0 40 DHAB C[C@@](O)(Cc1nc(-c2cc3ccccc3o2)no1)c1ccccc1 96003511 ANPVFIQZGFDOIZ-LJQANCHMSA-N 320.348 3.933 0 40 DHAB CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2Cl)CC1 96029432 KDAXKUJBYPCWQX-UHFFFAOYSA-N 310.825 3.525 0 40 DHAB CCCCSCCC(=O)Nc1ccc(C)cc1C(=O)N(C)C 96416474 ZPHXQXUPKLPRSV-UHFFFAOYSA-N 322.474 3.559 0 40 DHAB O=C(CC(=O)c1ccc(Br)cc1)c1ccccc1 100624736 IDQRBGOEWUVZGM-UHFFFAOYSA-N 303.155 3.905 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1coc(-c2cccs2)n1 104812474 WOFYTWUBKSEZSG-RWMBFGLXSA-N 316.426 3.846 0 40 DHAB Cc1ccc(C(=O)Cn2ccs/c2=N/C2CCCCC2)cc1 105795204 ZUTNAPXUCLFHAM-VHEBQXMUSA-N 314.454 3.974 0 40 DHAB COC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12 114712231 OWDLZQJHIBGPDY-UHFFFAOYSA-N 309.365 3.853 0 40 DHAB CCOc1ccc(C(=O)N(C)Cc2ccc(OC)cc2)cc1C 222692907 NNYDJPDKCGNLJT-UHFFFAOYSA-N 313.397 3.675 0 40 DHAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)CC)cc1Cl 225273145 ZKZAUNJDQCRXGY-SECBINFHSA-N 314.838 3.602 0 40 DHAB CCCOC(C)(C)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225837279 ONECHUBDJHJQAB-UHFFFAOYSA-N 319.323 3.858 0 40 DHAB CCOc1ccccc1NC(=O)c1cc2cccc(C)c2oc1=O 226034889 JSFJFYFGRMKRSY-UHFFFAOYSA-N 323.348 3.752 0 40 DHAB O=C(O)c1cc2cc(Nc3cc(Cl)ncn3)ccc2s1 226105586 LYTWOSGQJHADHG-UHFFFAOYSA-N 305.746 3.787 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)o2)c(N)c1 226301276 YJVKPWWXQAGWQK-ZIAGYGMSSA-N 312.413 3.955 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)c(N)c1 226349711 OWDUKNFXWRJGMJ-UHFFFAOYSA-N 320.776 3.582 0 40 DHAB COc1ccccc1C(=O)NCC1(c2ccsc2)CCCC1 253406787 UXPJEPYVNRRTJS-UHFFFAOYSA-N 315.438 3.999 0 40 DHAB O=C(Cc1ccccc1Cl)N1CC[C@@H](c2ccsc2)C1 675008108 AQAMJCJKOVZYCG-CYBMUJFWSA-N 305.830 3.960 0 40 DHAB Cc1nc(CC(=O)Nc2ccc3ccnc(Cl)c3c2)cs1 1529201151 HIZYFZKWMKUJGX-UHFFFAOYSA-N 317.801 3.834 0 40 DHAB CCN1C(=O)c2cccc3c(NC(=O)c4ccco4)ccc1c23 46806 LLNMCBMQHAWDIK-UHFFFAOYSA-N 306.321 3.665 0 40 DHAB biogenic O=c1oc2cc(O)ccc2cc1-c1ccc(Br)cc1 57825 QMKNKUCTQSRDGU-UHFFFAOYSA-N 317.138 3.928 0 40 DHAB biogenic,in-vitro CCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C)cc2)cc1 130711 VHXYUVOGQHWWPJ-JLHYYAGUSA-N 323.392 3.753 0 40 DHAB Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)n1 411792 WGCDVVKBMZJFSU-AWEZNQCLSA-N 315.442 3.830 0 40 DHAB COc1cccc(CSc2nnc(-c3cccs3)n2C)c1 523237 FLUACYKOEXGOCO-UHFFFAOYSA-N 317.439 3.845 0 40 DHAB O[C@@H]1CSc2nc(-c3ccccc3)c(-c3ccccc3)n2C1 1275682 CUDXEBHVOITLIT-HNNXBMFYSA-N 308.406 3.684 0 40 DHAB CCCC(=O)N(c1nnc(-c2cccnc2)s1)C1CCCC1 1345602 PWHMGCBZYMBWMO-UHFFFAOYSA-N 316.430 3.676 0 40 DHAB CCCCSc1ncnc2c1cnn2-c1ccc(F)cc1 1891255 YVKNQNHZKHQKEX-UHFFFAOYSA-N 302.378 3.847 0 40 DHAB CCOCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2069490 XQVVXZVTUJZPAR-UHFFFAOYSA-N 317.772 3.546 0 40 DHAB Clc1ccccc1OCCOc1ncnc2sccc12 2623043 AHGCWJALJISCOY-UHFFFAOYSA-N 306.774 3.803 0 40 DHAB NC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3402701 RFJQSIYIROLZNT-UHFFFAOYSA-N 324.167 3.736 0 40 DHAB CC(=O)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 4273197 IZFZFVJGUPZJDA-UHFFFAOYSA-N 317.801 3.898 0 40 DHAB CSc1nsc(NC(=O)Nc2ccccc2Cl)n1 4898306 YRCKJJUATIYQCB-UHFFFAOYSA-N 300.796 3.557 0 40 DHAB Nc1ccccc1CCCNC(=O)Nc1ccccc1Cl 6276736 FOIWMRASHDQGDU-UHFFFAOYSA-N 303.793 3.677 0 40 DHAB CCN(CC)CCCNC(=O)Nc1cccc(C(F)(F)F)c1 6462732 MEIZKEVJCZWVTL-UHFFFAOYSA-N 317.355 3.559 0 40 DHAB Cc1ccc2nc(CSc3nc(-c4ccccc4)n[nH]3)cn2c1 6465831 OYFNKMQJSWZDIN-UHFFFAOYSA-N 321.409 3.720 0 40 DHAB Cc1cc(C)n(CCCNCc2ccc(Cl)cc2Cl)n1 6602070 JRZORRBVSZRPBY-UHFFFAOYSA-N 312.244 3.987 0 40 DHAB Cn1cccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccccc1 7088025 ARZQFMGOCYDLKW-IBGZPJMESA-N 317.392 3.792 0 40 DHAB COCCNc1nc(-c2cccc(Br)c2)cs1 7843649 UVIIIAGQPHMNBW-UHFFFAOYSA-N 313.220 3.631 0 40 DHAB in-vitro O=C(NCc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 7990929 UBQNAJUAWUVDBI-UHFFFAOYSA-N 317.392 3.680 0 40 DHAB COc1ccc(C)cc1NC(=O)CCC(=O)c1ccc(F)cc1 8082702 QYWFVGBNYRJVLU-UHFFFAOYSA-N 315.344 3.744 0 40 DHAB CN(Cc1ccccc1N1CCCC1)c1ncnc2sccc12 8162658 MKNNINYCJGDCOQ-UHFFFAOYSA-N 324.453 3.928 0 40 DHAB COc1c(Cl)cc(C(=O)Nc2ccccc2O)cc1Cl 8704329 KAZRYSXTSWPHKS-UHFFFAOYSA-N 312.152 3.960 0 40 DHAB COc1ccccc1CNC(=O)Nc1nc2ccccc2s1 10037413 UXUMINOOACDCNJ-UHFFFAOYSA-N 313.382 3.627 0 40 DHAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(F)cc2)c1 10542301 QWFUUFWFOYNWOE-UHFFFAOYSA-N 315.388 3.976 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2onc3c2CCCC3)c1 11915000 HLEOREXGSYMSKU-CYBMUJFWSA-N 314.385 3.576 0 40 DHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(F)ccc1F 12436189 LMASGOILYCKHOV-UHFFFAOYSA-N 316.307 3.566 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cc(C)ccc3C)C(=O)[C@@H]21 12447228 HWKMTFPOJYQIGK-PURYLZLUSA-N 307.393 3.561 0 40 DHAB Cc1cccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1 12615891 OXYGNEIFRGOALH-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB Cc1cccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)c1 13131385 LVWREOUVEGWRIV-DLBZAZTESA-N 308.360 3.872 0 40 DHAB aggregator CCCCCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 14245805 MBJSVQMXAAUQRZ-UHFFFAOYSA-N 317.216 3.628 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccccc2)c1 15827511 OQQZPEJRLKRLQM-QGZVFWFLSA-N 311.381 3.681 0 40 DHAB COc1ccc(OCCNc2ccc(OC(C)C)cc2)cc1 19738259 MLXXYLQJRTZNHR-UHFFFAOYSA-N 301.386 3.973 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1Cl 20484229 HMPCDZWBPFVBDJ-CYBMUJFWSA-N 317.816 3.986 0 40 DHAB CC(=O)c1ccccc1NCc1nc(-c2ccc(C)cc2)no1 23004096 BIJBBWHARKYQCO-UHFFFAOYSA-N 307.353 3.860 0 40 DHAB Cc1cccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 23384449 REOUYFDPCMPQNQ-IBGZPJMESA-N 309.409 3.581 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccccc2)no1 27747326 KFQAOTQMPPGYCU-UHFFFAOYSA-N 322.364 3.976 0 40 DHAB COc1ccc(S(=O)(=O)Oc2ccccc2)c2ccccc12 32401223 OWGQVACIFRKAMN-UHFFFAOYSA-N 314.362 3.616 0 40 DHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1ccc(F)cc1 36391049 VOSKWXVKRJNWRA-LBPRGKRZSA-N 305.780 3.769 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Nc1ccc(F)cc1 40161222 FLXSKXIESSGQLQ-HUUCEWRRSA-N 314.404 3.764 0 40 DHAB Cc1cc(N(C)C)ccc1NC(=O)Cc1c[nH]c2ccccc12 40529392 XTAAADGCNPVDRC-UHFFFAOYSA-N 307.397 3.724 0 40 DHAB CCN(C(=O)CSc1nncc2ccccc12)c1ccccc1 42652754 CQJGUZHVJWWJAH-UHFFFAOYSA-N 323.421 3.775 0 40 DHAB O=C(NCC1CC1)Nc1ccc(Oc2cccc(F)c2)nc1 48219281 QZTMPZHHPVIEPB-UHFFFAOYSA-N 301.321 3.545 0 40 DHAB CCC(=O)Nc1ccc(C)c(NC(=O)NC2CCCCC2)c1 48257232 YJWREOAWQLYCOH-UHFFFAOYSA-N 303.406 3.798 0 40 DHAB C[C@H](NCC(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 57752195 UHXXYSXGQRBRKN-JTQLQIEISA-N 324.211 3.678 0 40 DHAB O=C(CCCc1cccs1)N(Cc1cccnc1)C1CC1 58265122 GMMPETZLZGPXTJ-UHFFFAOYSA-N 300.427 3.657 0 40 DHAB Cc1ccccc1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 60213056 OSJWGUCYGVTBSE-UHFFFAOYSA-N 311.381 3.683 0 40 DHAB C[C@H]1CCc2c(C(=O)N(C[C@H]3CCOC3)C3CC3)csc2C1 60550349 ICQFFOTVMGMZNU-QWHCGFSZSA-N 319.470 3.514 0 40 DHAB Cc1cccc(NC(=S)NCCCN2CCCCCC2)c1 61247019 DPIIELMNFXENBZ-UHFFFAOYSA-N 305.491 3.548 0 40 DHAB C[C@H](Cc1c2ccoc2cc2ccoc12)NC(=O)C(F)(F)F 65740572 WQFRAEFKSDEAJF-MRVPVSSYSA-N 311.259 3.789 0 40 DHAB in-vitro Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 66612714 NGZHXRWBKUECBU-QGZVFWFLSA-N 321.380 3.955 0 40 DHAB Cc1ccc(C)c(C[S@@](=O)[C@@H](C)C(=O)Nc2ccccc2)c1 69806779 GVPOIIOFYCDGEQ-NYHFZMIOSA-N 315.438 3.579 0 40 DHAB CC(=O)Nc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 71761020 QHYQHYJULWDOSW-UHFFFAOYSA-N 321.352 3.732 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)SCc2ccc(Cl)s2)no1 71794079 JTDFUHALTHEUPV-MRVPVSSYSA-N 316.835 3.958 0 40 DHAB O=C(CN1CCC[C@H]1C1CCCCC1)Nc1ccc(Cl)cn1 71812726 ZDKBBAHFDXOFBD-HNNXBMFYSA-N 321.852 3.718 0 40 DHAB CCN(C(=O)[C@H](C)SCc1cc(C)on1)c1ccccc1 71818649 IKQRAFKCEBKRDK-ZDUSSCGKSA-N 304.415 3.658 0 40 DHAB C[C@H]1C[C@H]1c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71889992 FXYPRXFGSDONIP-SMDDNHRTSA-N 318.804 3.943 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 72283299 YCRFDIJOZHCXDE-ZDUSSCGKSA-N 319.430 3.930 0 40 DHAB CCc1noc(C)c1C(=O)OCc1ccc(OC)cc1Cl 72314193 QAIJASROIPXYIR-UHFFFAOYSA-N 309.749 3.564 0 40 DHAB CCO[C@@H]1C[C@@H](NC(=O)c2cccc3cnccc23)C12CCCC2 73139483 SLCHBBXMDSZWQL-QZTJIDSGSA-N 324.424 3.702 0 40 DHAB Cc1cc(C)c(CN[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1C 76057656 XBYCEBRGVQNPMY-HKUYNNGSSA-N 316.489 3.594 0 40 DHAB Cc1cc(CS[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)on1 78555627 ORMXDCVXZZSFIS-RYUDHWBXSA-N 322.405 3.621 0 40 DHAB Cc1nc(C)c(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 86424488 LCLYGUZSCWDUJS-NSHDSACASA-N 319.430 3.788 0 40 DHAB CCc1ccc(CN[C@@H](C)c2ccccc2N2CCOCC2)o1 95415508 IUTKRWDPLUTZHQ-HNNXBMFYSA-N 314.429 3.529 0 40 DHAB CC(C)Oc1ccc(NCc2ccc([S@@](C)=O)cc2)c(F)c1 95448773 HIBDRDSGUBZRDP-QFIPXVFZSA-N 321.417 3.962 0 40 DHAB CO[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1C 96104941 KHDNKLKYFAFPLS-INIZCTEOSA-N 303.789 3.766 0 40 DHAB Cc1cc(NC(=O)c2ccccc2)cc2c1N(C)C(=O)C2(C)C 96182148 YBLKEDCNLHZMNR-UHFFFAOYSA-N 308.381 3.501 0 40 DHAB CCNCc1ccccc1NC(=O)CCc1cccc(F)c1 96482510 NCPWEUYLAHEKOA-UHFFFAOYSA-N 300.377 3.507 0 40 DHAB COc1cc(C)c(NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 102934344 HHIOFIFJDLNRDD-MGPQQGTHSA-N 303.402 3.777 0 40 DHAB O=C(COc1ccccc1F)NCCCc1ccccc1Cl 222775566 HFNXLMGTDPLWTP-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB COc1ccc(NC(=S)NCCC(C)C)c2cccnc12 225381430 SXNYYWBZRIJEHJ-UHFFFAOYSA-N 303.431 3.576 0 40 DHAB CCOC(=O)c1[nH]c2ccccc2c1[C@H]1OC(=O)c2ccccc21 225810379 WBTFUDVCQUROJX-KRWDZBQOSA-N 321.332 3.604 0 40 DHAB C[C@H]1c2ccccc2CN1C(=O)[C@@]1(C)OCCc2ccccc21 1587163130 UVQLBIZLJWGRPX-XOBRGWDASA-N 307.393 3.578 0 40 DHAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC(=O)c1ccccc1 232004 CJSQVOCVTPYEBO-OAHLLOKOSA-N 322.408 3.837 0 40 DHAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(C)o2)C(=O)O1 382040 IMAMAQXMPRPGSX-JYRVWZFOSA-N 317.728 3.595 0 40 DHAB CCC(C)(C)[C@H]1CCc2c(sc3nc(C)n(O)c(=O)c23)C1 800780 OVPBHDVUYGOYIV-JTQLQIEISA-N 306.431 3.545 0 40 DHAB Nc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 911971 KLJBTDRZHQJZTM-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB O=C(NCc1ccc(F)cc1)[C@@H]1Cc2c(ccc3ccccc23)O1 1394663 QPASTQXLZVQEKX-IBGZPJMESA-N 321.351 3.599 0 40 DHAB O=c1c2c(C3CC3)csc2[nH]c(=S)n1-c1ccccc1 2651898 QMUOKCMMPWWFIO-UHFFFAOYSA-N 300.408 3.987 0 40 DHAB Cc1csc(SCC(=O)N[C@H](C)c2ccc(F)cc2)n1 3405515 RKCXADFPHKPACJ-SNVBAGLBSA-N 310.419 3.560 0 40 DHAB Cc1ccc(N2C(=O)CC[C@H](C(=O)O)[C@H]2c2cccs2)cc1 3888167 KIQDHOPFZJKODK-BBRMVZONSA-N 315.394 3.625 0 40 DHAB Cc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c(C)o1 5392459 ISKSGQHGMSIMEH-UHFFFAOYSA-N 318.804 3.512 0 40 DHAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccccc1)C3 5595284 QZRDAHGHJARUQV-UHFFFAOYSA-N 319.360 3.638 0 40 DHAB O=C(Nc1nc2c(s1)CCCC2)c1cc2c(s1)CCC2 5937358 VCGBUKIMNGDGRQ-UHFFFAOYSA-N 304.440 3.824 0 40 DHAB O=S(=O)(Nc1ccc2cn[nH]c2c1)c1cccc2ccccc12 5985651 AKAUNIMNAGCNIG-UHFFFAOYSA-N 323.377 3.517 0 40 DHAB C[C@@H]1CCCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C1 6007639 OHQWOUQOOHHSLW-RZZCCWGQSA-N 311.510 3.701 0 40 DHAB CN(C)[C@H](CNc1ncnc2cc(Cl)ccc12)c1ccco1 8073589 TZJNDWCMAVLIIK-CQSZACIVSA-N 316.792 3.591 0 40 DHAB O=C(Cc1cccc2ccccc12)Nc1nc2c(s1)CCC2 9592447 MQUMMKGFNCDXIO-UHFFFAOYSA-N 308.406 3.966 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCc3sccc3C2)c1 10341955 BCHTWCMAYKSZMZ-CQSZACIVSA-N 314.454 3.750 0 40 DHAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1Cl 10405228 NFBHIVUSQCRUIH-UHFFFAOYSA-N 317.772 3.948 0 40 DHAB O=C(c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503839 RMNJVGFZKMEMTF-HNNXBMFYSA-N 305.381 3.583 0 40 DHAB Cc1cccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1 11083483 AVNFAKHWXRQRDN-UHFFFAOYSA-N 319.408 3.512 0 40 DHAB C[C@@H](C1CC1)N(c1ccccc1)S(=O)(=O)c1ccccc1 11692348 VSSYSRIHPJFOKI-AWEZNQCLSA-N 301.411 3.680 0 40 DHAB O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116107 RDGYFVSJPMVCNV-QGZVFWFLSA-N 323.371 3.608 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1cc2ccccc2cc1O 12739873 LXTKYQCJFYPZBT-UHFFFAOYSA-N 303.321 3.674 0 40 DHAB CC[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12746758 GWRVTSZBQPUOIQ-GFCCVEGCSA-N 302.422 3.664 0 40 DHAB CC/[S@@](=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 13146917 KMANZPQCTGXUSH-IBGZPJMESA-N 307.440 3.565 0 40 DHAB 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3.864 0 40 DHAB Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1N 242463730 DIKKZBGQGPTGNT-VXIBKDFQSA-N 302.462 3.545 0 40 DHAB COc1ccccc1C(=O)c1cc2cc(Cl)ccc2oc1=O 952963474 TXHUAUYZYQMLRK-UHFFFAOYSA-N 314.724 3.686 0 40 DHAB COc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1 199790 OQDXEEZTPFZKCM-UHFFFAOYSA-N 321.130 3.768 0 40 DHAB CCc1ccc([C@@H]2C[C@@H](c3ccccc3F)n3nnnc3N2)cc1 222820 NXGNDKJCZITQPP-IRXDYDNUSA-N 323.375 3.521 0 40 DHAB COc1cccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)c1 532288 YFDLLLYQDVWRDJ-IRXDYDNUSA-N 324.359 3.572 0 40 DHAB O[C@H]1CSc2nc(-c3ccccc3)c(-c3ccccc3)n2C1 1275683 CUDXEBHVOITLIT-OAHLLOKOSA-N 308.406 3.684 0 40 DHAB CCN(C(=O)CC(C)C)c1nnc(-c2ccccc2C)s1 1345262 ODOSGFLFMWVRKZ-UHFFFAOYSA-N 303.431 3.913 0 40 DHAB CCc1ccc(OCc2nnc(S)n2-c2ccccc2)cc1 2561703 KLWGEKRWUDDCEX-UHFFFAOYSA-N 311.410 3.697 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 2632271 DEQSLPVLUAONHE-OLZOCXBDSA-N 303.789 3.985 0 40 DHAB COc1ccccc1CCC(=O)N[C@@H]1CCCc2ccccc21 3352561 PDBLUDGUZVNOSH-GOSISDBHSA-N 309.409 3.822 0 40 DHAB Cc1ccc2c(COC(=O)c3cccc(F)c3)cc(=O)oc2c1 3512846 ZROGHZXVXHEHIT-UHFFFAOYSA-N 312.296 3.598 0 40 DHAB COc1ccc(Nc2[nH]c(=S)nnc2-c2ccccc2)cc1 3846919 IZGGWVXRTKLPLF-UHFFFAOYSA-N 310.382 3.953 0 40 DHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 5515773 AWSHPZVBAHWGDS-LLVKDONJSA-N 314.772 3.718 0 40 DHAB Cc1cccc(C(=O)OCc2cn3cc(Cl)ccc3n2)c1C 6368893 PXAKVTHBRMDZFK-UHFFFAOYSA-N 314.772 3.962 0 40 DHAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2C)cc1 7878289 PPJSVHMPRPRBPJ-ZDUSSCGKSA-N 300.427 3.614 0 40 DHAB COc1cc(CNCc2ccccc2Cl)cc(OC)c1OC 8469961 VXVPJECDUXSCSN-UHFFFAOYSA-N 321.804 3.656 0 40 DHAB CC(C)[C@H](NC(=O)NCCc1cccs1)c1ccccc1 9977028 HMUQILBZSKQWJK-INIZCTEOSA-N 302.443 3.987 0 40 DHAB C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc2c(c1)CCC2 12116844 BDPZGOHBBJJAGZ-CYBMUJFWSA-N 323.440 3.658 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 12595068 QPEOGKSXDAUCIO-GFCCVEGCSA-N 303.793 3.791 0 40 DHAB CN(CCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 12611630 NVNOQGMPCGYEPH-UHFFFAOYSA-N 323.223 3.860 0 40 DHAB CCOc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OC 12700033 KOSFTVNSZQQGFF-UHFFFAOYSA-N 313.353 3.549 0 40 DHAB CCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167653 WMIBJEZWFRBWKN-UHFFFAOYSA-N 303.745 3.853 0 40 DHAB Cc1cccc(C(=O)N[C@H](C)c2nc(-c3ccccc3)no2)c1 13495471 IZFBTAGYORCANA-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB CCCNC(=S)Nc1ccc(Br)c(Cl)c1 13840873 UTYOGFQRWSCYQM-UHFFFAOYSA-N 307.644 3.799 0 40 DHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 14001607 WURIFFVLOYCBPP-BUHFOSPRSA-N 322.408 3.867 0 40 DHAB Cc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 14262469 YVALZARKPSJXIO-OAHLLOKOSA-N 308.381 3.525 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C 18109325 PTDPADUGRFJAEV-AWEZNQCLSA-N 311.381 3.566 0 40 DHAB O=C(OC/C=C/c1ccccc1)c1ccc(-n2cccn2)cc1 21471341 BLXRVNRQBATWHB-XBXARRHUSA-N 304.349 3.743 0 40 DHAB COc1ccc(NC(=O)Nc2cc(OC)c(OC)cc2C)cc1 23233101 OVVIIKZRTIVNQP-UHFFFAOYSA-N 316.357 3.665 0 40 DHAB CCCCCC(=O)N[C@H](N(CC)CC)C(Cl)(Cl)Cl 26688424 INXAHDPUFXRDIY-LLVKDONJSA-N 317.688 3.721 0 40 DHAB Cc1cccc(C)c1NC(=O)N1C(=O)CSc2ccccc21 28527588 ZAYVUYPUWQFYFS-UHFFFAOYSA-N 312.394 3.974 0 40 DHAB Cc1cc(C)cc(-c2nnc(NC(=O)Cc3cccs3)o2)c1 36662976 KOJLJECQVXDRJK-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 40158611 HSCZLEZTUNQHHO-HXUWFJFHSA-N 322.452 3.523 0 40 DHAB COc1ccc(OC)c2c(Nc3ccc(C(=O)O)cc3)ccnc12 40175627 MKPYUBWJWHRRSZ-UHFFFAOYSA-N 324.336 3.694 0 40 DHAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478362 KJLWAVPUTABGFZ-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB O=C(NCc1nccs1)C(c1ccccc1)c1ccccc1 41566034 UUCOSPFGMRACAA-UHFFFAOYSA-N 308.406 3.591 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 41813607 NWJOMLSJAHGFBC-QGZVFWFLSA-N 323.436 3.921 0 40 DHAB O=C(Nc1cccc2cccnc12)N1CCC[C@@H]1c1ccncc1 43529325 UVNKGMJVEICGDI-QGZVFWFLSA-N 318.380 3.999 0 40 DHAB CC(=O)Nc1ccc(NC(=O)NCCC2=CCCCC2)cc1 43654002 YIPOQXXWTUUBLK-UHFFFAOYSA-N 301.390 3.657 0 40 DHAB Nc1nc(Cl)cc(N[C@H](c2ccc(Cl)cc2)C2CC2)n1 45025023 PEPCYCGZZMGCEL-ZDUSSCGKSA-N 309.200 3.929 0 40 DHAB Cc1ccc(CNCc2c(C)nn(-c3ccc(F)cc3)c2C)cn1 47825911 XEPZIUTYVBUEHK-UHFFFAOYSA-N 324.403 3.621 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2ccc(C)cc2C)cc1 48226762 JELRQCBUXRRXPQ-UHFFFAOYSA-N 314.454 3.977 0 40 DHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(OC)nc1 58135531 QQRCUEFGHMNYGO-MSOLQXFVSA-N 324.424 3.889 0 40 DHAB Cc1cccc(CNCc2c(C)nn(C)c2Oc2ccccc2)n1 58326213 JNEHVLQPOSCGPB-UHFFFAOYSA-N 322.412 3.514 0 40 DHAB Cn1cc(C(=O)Nc2ccc3ncccc3c2)c2ccccc21 58329040 RLGISVCOYYOQLN-UHFFFAOYSA-N 301.349 3.979 0 40 DHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1F)c1c(C)noc1C 65608457 SCOWBQMCSHTENA-ZANVPECISA-N 322.355 3.941 0 40 DHAB O=C(Nc1ccccn1)N1CCC(c2cc3ccccc3[nH]2)CC1 65985770 FYRGWEVDKXPCIA-UHFFFAOYSA-N 320.396 3.974 0 40 DHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 67515921 GJTOUNVBQQBCPP-DOTOQJQBSA-N 323.440 3.801 0 40 DHAB CSc1ccsc1C(=O)N(C)Cc1nc2ccccc2[nH]1 69814370 CDTVBNPHGGSMFU-UHFFFAOYSA-N 317.439 3.619 0 40 DHAB CCC(CC)(CC)NC(=O)Nc1nnc(-c2ccccn2)s1 72303923 RNCAVUMGQHBAAR-UHFFFAOYSA-N 319.434 3.690 0 40 DHAB CC(=O)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72361760 HHHSKLKCTGEUQJ-HNNXBMFYSA-N 317.776 3.606 0 40 DHAB c1csc(-c2[nH]c3ncccc3c2CN2CCSCC2)c1 72397007 ZXXBEBYTXIXJDU-UHFFFAOYSA-N 315.467 3.840 0 40 DHAB Cc1nn(C(C)C)c(C)c1-c1nn2c(C3CCC3)nnc2s1 72404928 IGRXAWOKOOVDNQ-UHFFFAOYSA-N 316.434 3.515 0 40 DHAB Cc1ccc(CC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cn1 76093668 XJBNZQFEGJUQOO-BFUOFWGJSA-N 312.388 3.681 0 40 DHAB CCCOc1ncccc1CNC(=O)c1sccc1SC 78553306 BHIDIIWICKRUHF-UHFFFAOYSA-N 322.455 3.584 0 40 DHAB C[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 79438539 CPRORZXBJYSPNC-GJZGRUSLSA-N 319.449 3.522 0 40 DHAB Cc1nc(CN(C)C(=O)c2ccc3[nH]c(=S)oc3c2)cs1 81020894 SPQYXKLNJOEIHA-UHFFFAOYSA-N 319.411 3.528 0 40 DHAB CC[C@H](O)CCCNC(=O)c1ccc2c(c1)Cc1ccccc1-2 84727833 DPDWUGJUSLAYGF-KRWDZBQOSA-N 309.409 3.539 0 40 DHAB CCSCc1cccc(NC(=O)N[C@@H](C)C2CCOCC2)c1 89275286 KNEJEMMXPDNDFX-ZDUSSCGKSA-N 322.474 3.876 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c3ncccc23)cc1 95360998 LHXRRUTUOVBRDJ-KRWDZBQOSA-N 321.380 3.549 0 40 DHAB O=C(CCc1ccccn1)Nc1cc(Cl)ccc1NC1CC1 95965239 IBOSMDFBGQUVTD-UHFFFAOYSA-N 315.804 3.881 0 40 DHAB Cc1cc(NC(=O)c2ccc(Cl)o2)cnc1N1CCCCC1 95986355 PACFBGXLVMGACC-UHFFFAOYSA-N 319.792 3.879 0 40 DHAB CC[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1)c1ccncc1 96437454 RBNZNWKSBPEURN-WBMJQRKESA-N 301.365 3.732 0 40 DHAB CCNCc1ccccc1NC(=O)CCc1ccc(F)cc1 96482509 YRHPETUFSTXYLS-UHFFFAOYSA-N 300.377 3.507 0 40 DHAB Cc1c(Cl)cccc1NCC(=O)N(C)Cc1ccc(F)cc1 98073693 RDPKEMWQTCLEOZ-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccccc2)cc1 113969737 AKYAAORRGFXQDF-GOSISDBHSA-N 313.397 3.559 0 40 DHAB CCCNc1ccc(CNC(=O)Nc2c(C)noc2CC)cc1 192418593 IWLDVIXEQCNLEQ-UHFFFAOYSA-N 316.405 3.689 0 40 DHAB O=C(O)c1cc(OCc2ccccc2Cl)cc(Cl)c1O 216753114 AOZXQUYFZUNQDV-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB Cc1ccccc1CNC(=O)COc1cc(C)c(Cl)c(C)c1 218918119 ACNJHYYHUMEKNW-UHFFFAOYSA-N 317.816 3.960 0 40 DHAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)[nH]3)N21 222718194 JKVNMSSMJDLQJL-APHBMKBZSA-N 312.442 3.698 0 40 DHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccccc1OC 224599768 HOXOUCUKBXAZHP-HUUCEWRRSA-N 307.434 3.795 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225645233 RLNDTLVWCZKMKK-GOSISDBHSA-N 305.418 3.928 0 40 DHAB Fc1ccc(NC(=S)NCCCc2ccco2)cc1Cl 225804889 OPLAYRDCUGWILQ-UHFFFAOYSA-N 312.797 3.991 0 40 DHAB CCN(CC)c1ccc(N)cc1C(=O)N1[C@H](C)CCC[C@H]1C 226323928 OVRWMNNKEMKTEB-ZIAGYGMSSA-N 303.450 3.518 0 40 DHAB CCCCN1C(=O)S/C(=C\c2ccccc2OCC)C1=O 409054014 LNUDZHQQPFCLLE-KAMYIIQDSA-N 305.399 3.922 0 40 DHAB C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCc1cccc(O)c1 1528094638 LKMJDCXXTVKEFB-WCQYABFASA-N 315.335 3.514 0 40 DHAB CC(C)(CNc1ncc(Br)cn1)c1ccsc1 1775969826 MQEREXMZSHILNB-UHFFFAOYSA-N 312.236 3.690 0 40 DHAB CN(c1ccccn1)C1CCN(Cc2cccc(Cl)c2)CC1 1889136042 JVDDYQPMJBNSQV-UHFFFAOYSA-N 315.848 3.836 0 40 DHAB O=c1sn(Cc2ccccc2)c(=S)n1Cc1ccccc1 27364 RUJZRLFQRAMGNM-UHFFFAOYSA-N 314.435 3.537 0 40 DHAB in-vitro COc1ccc(-c2noc(COc3cccc(C)c3C)n2)cc1 199777 HXSSOYJILSBSFK-UHFFFAOYSA-N 310.353 3.941 0 40 DHAB O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc21 263728 MGHLZEVMIBMMIV-UHFFFAOYSA-N 302.333 3.958 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 514200 CZRHUAOZYRYTSQ-UHFFFAOYSA-N 307.708 3.503 0 40 DHAB CCO[P@](=O)(c1ccccc1Cl)[C@@H](O)c1ccccc1 523328 IBADJSYOHMKQHF-FOIQADDNSA-N 310.717 3.971 0 40 DHAB CN(C)C(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1 1381801 CVOYMCJQERIMOL-UHFFFAOYSA-N 303.365 3.512 0 40 DHAB O=S1(=O)C=C(SCc2ccc(F)cc2)Nc2ccccc21 1406167 QATYVOAGCPUUJV-UHFFFAOYSA-N 321.398 3.757 0 40 DHAB CCCC[C@H](C[C@@H](C)O)c1nnc(S)n1-c1ccccc1 2261968 KLIVYBXUYVJJHP-CHWSQXEVSA-N 305.447 3.601 0 40 DHAB O=C(O)CC1CCN(Cc2c(Cl)cccc2Cl)CC1 2505790 YWSKVCTVFIOFRT-UHFFFAOYSA-N 302.201 3.680 0 40 DHAB Cc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1Cl 2631727 GVGDOADEQOTDDW-UHFFFAOYSA-N 309.793 3.710 0 40 DHAB c1ccc(-c2cnc(CSc3nnc4ccccn34)o2)cc1 3452336 XDFCSTPYQSTIRQ-UHFFFAOYSA-N 308.366 3.677 0 40 DHAB Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c1 4225238 RGLYMPLFGXBJTC-CQSZACIVSA-N 305.381 3.700 0 40 DHAB CC(C)=CCCC1=CC[C@@H]2C(=O)NN(c3ccccc3)C(=O)[C@@H]2C1 5495213 XMGHGZFUAASIJW-ZWKOTPCHSA-N 324.424 3.763 0 40 DHAB biogenic COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)ccc3CC[C@@H]21 5529949 BSKWXDWRTACMCC-QXAKKESOSA-N 302.414 3.879 0 40 DHAB O=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)s1 5771210 BNDKWXUYUYILLZ-UHFFFAOYSA-N 322.238 3.533 0 40 DHAB CSCc1cc(=O)[nH]c(SCc2ccc(Cl)cc2)n1 6411723 WSXDTQLBEGSSNP-UHFFFAOYSA-N 312.847 3.579 0 40 DHAB Cc1cccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1O 8388876 DXUZBUFGZGLLRZ-UHFFFAOYSA-N 311.168 3.842 0 40 DHAB Cc1ccc(-n2ncc3c(NC4CCCCC4)ncnc32)cc1 8582988 NNDZRTKHTTVQBK-UHFFFAOYSA-N 307.401 3.869 0 40 DHAB CCCN1C(=O)CCc2cc(NC(=O)C(CC)CC)ccc21 9107115 WNDOIKVOSIWNQI-UHFFFAOYSA-N 302.418 3.751 0 40 DHAB CC(C)CN1C(=O)CCc2cc(NC(=O)C(C)(C)C)ccc21 9137551 VQAQLCYTETXWEG-UHFFFAOYSA-N 302.418 3.606 0 40 DHAB COC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 9387135 BODRZXZBGVQBJD-UHFFFAOYSA-N 311.381 3.730 0 40 DHAB c1coc(CCNCc2ccc(-n3cnc4ccccc43)cc2)c1 12741344 LLFOQIYYIRSPTG-UHFFFAOYSA-N 317.392 3.951 0 40 DHAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1 12789274 SSNMXDSMNDHBHN-UHFFFAOYSA-N 302.377 3.987 0 40 DHAB O=C(O)c1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 13166228 ITVFBWQQARFKJH-UHFFFAOYSA-N 324.163 3.622 0 40 DHAB CCN(CC)[C@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1 14903542 FBEBHNUTRSVWEG-UHPIZROJSA-N 322.452 3.899 0 40 DHAB FC(F)(F)c1ccc(Oc2ccc(-c3nnco3)cc2)nc1 15114286 AIOSGWHAVUUVST-UHFFFAOYSA-N 307.231 3.943 0 40 DHAB CCSc1nnc(NC(=O)c2cc(Cl)ccc2F)s1 15582452 CBQBOMZYYKMOSN-UHFFFAOYSA-N 317.798 3.695 0 40 DHAB CN(C)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 16597050 JJHCDXAFYMELBY-UHFFFAOYSA-N 322.330 3.953 0 40 DHAB CCOc1ccc(NC(=O)Cc2noc3ccc(C)cc23)cc1 19910232 MBUUKENUMVGNEB-UHFFFAOYSA-N 310.353 3.716 0 40 DHAB CCCn1c(=N)n(CCOc2ccc(C)cc2)c2ccccc21 19996088 VMVXETSGXJOCFZ-UHFFFAOYSA-N 309.413 3.720 0 40 DHAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1N 20559823 RWHQSNLQOJCWLG-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB O=C(CCn1ccc2ccccc21)Nc1nc2c(s1)CCC2 25769177 RTKZBGXYQMBNCZ-UHFFFAOYSA-N 311.410 3.615 0 40 DHAB CN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 26295951 NCVPGPFCMOECBL-UONOGXRCSA-N 314.351 3.949 0 40 DHAB CC(=O)O[C@H]1[C@@H](O)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1 31167664 RRGRXDIGPVAQIW-YSTOQKLRSA-N 310.393 3.640 0 40 DHAB biogenic,in-vitro O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@H]2CCCC[C@H]21 40034747 NYBZHMDIXBMSDM-IEBWSBKVSA-N 323.440 3.726 0 40 DHAB CCOc1ccccc1C(=O)Nc1cccc(-n2ccnc2)c1 40119361 ODBSYQLTEUETJT-UHFFFAOYSA-N 307.353 3.523 0 40 DHAB O=C1[C@H](Oc2ccccc2)[C@H](c2cccnc2)N1c1ccccc1 40156583 NIWSYXZTOCZBKV-RBUKOAKNSA-N 316.360 3.617 0 40 DHAB c1cncc(-c2n[nH]cc2CN[C@@H]2CCSc3ccccc32)c1 42956915 MCQBCKCRZJMPCQ-MRXNPFEDSA-N 322.437 3.798 0 40 DHAB CC(C)NC(=O)Cn1ccc2cccc(OCc3ccccc3)c21 49548072 JIXTYXMXEJWKRI-UHFFFAOYSA-N 322.408 3.745 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N[C@H]1CCc2cc(F)ccc21 58354988 KZXAFNOFRLXLMC-AWEZNQCLSA-N 322.767 3.512 0 40 DHAB CCc1cc2c(NC[C@H](C)CN3CCCCC3)ncnc2s1 59402386 MXSTUFWSEFQBFE-ZDUSSCGKSA-N 318.490 3.788 0 40 DHAB Cc1c([C@H](C)NCc2ccncc2)cnn1-c1ccc(F)cc1 62420805 KSGHIKKHDKOFBP-ZDUSSCGKSA-N 310.376 3.566 0 40 DHAB Cc1cc(C)cc(CN[C@@H](c2ccccc2)c2nccn2C)c1 67448637 LFOAVHIMTJZEOX-IBGZPJMESA-N 305.425 3.916 0 40 DHAB Cc1cc(F)ccc1CNC1CCN(C(=O)OC(C)(C)C)CC1 67802651 PPVUOYDBSDYBAV-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB C[C@H](NCc1csc(-c2cccs2)n1)[C@@H](C)n1cccn1 69442841 ZLGVPEIKEWLYQU-NWDGAFQWSA-N 318.471 3.807 0 40 DHAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(Cl)cc3)n2c1 71476843 NRXUAODLDARYPX-UHFFFAOYSA-N 313.788 3.535 0 40 DHAB O=C(NC[C@H]1CCOC1)Nc1cccc(-c2cccs2)c1 72230605 DWUYPGKLRXHCEI-GFCCVEGCSA-N 302.399 3.573 0 40 DHAB Cc1cc(NC(=O)CCCOc2ccc(F)cc2)cnc1Cl 75094337 QLAXHEVZJFBLJB-UHFFFAOYSA-N 322.767 3.980 0 40 DHAB Cc1ncc(COC(=O)c2ncoc2-c2cccs2)s1 78658624 MNKCFWBYQJFNBV-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB O=C(O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)F 78870110 NFUVPXZDMFZTEG-UHFFFAOYSA-N 306.190 3.527 0 40 DHAB in-vitro CCCOc1cccc(C(=O)N[C@@H](CCO)C2CCCCC2)c1 84758628 FVTZTOLLJUYXIQ-SFHVURJKSA-N 319.445 3.537 0 40 DHAB CN(CCOCc1ccccc1)C(=O)c1nccc2ccccc12 89346329 PQEUVJRCWLQVSQ-UHFFFAOYSA-N 320.392 3.524 0 40 DHAB Cn1ccnc1CNc1cccc(-c2ccc3c(c2)CCO3)c1 92944520 JAXZNPVQZYZNQS-UHFFFAOYSA-N 305.381 3.634 0 40 DHAB FC1(F)CCN(CC2CC2)C[C@]12CCN(c1ccccc1)C2 96051117 CEEOSAWUYNNOJU-KRWDZBQOSA-N 306.400 3.634 0 40 DHAB Cc1ccccc1CN1CCC[C@@]12CCCN(C(=O)C(C)C)C2 96071310 CYJRPTIFIAETAY-HXUWFJFHSA-N 314.473 3.608 0 40 DHAB Cc1cc(NC(=O)c2cccs2)cc2c1N(C)C(=O)C2(C)C 96182149 JPSHKNIRDQWORI-UHFFFAOYSA-N 314.410 3.563 0 40 DHAB COc1ccc2oc(CNc3cccc(-n4cnnc4)c3)cc2c1 97022828 CCBZXAKXBONZND-UHFFFAOYSA-N 320.352 3.634 0 40 DHAB CC(C)N(C[C@@H](O)CO[C@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2)C(C)C 101244148 YTCOFICLLIPGED-VXIBKDFQSA-N 311.510 3.698 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1ccc2ccccc2c1 107306781 HDHGMCQPHGDFDE-UHFFFAOYSA-N 302.377 3.794 0 40 DHAB CC(C)OCc1ccc(NC(=O)N2C[C@H](C)OC(C)(C)C2)cc1 194523830 WPXSEZZQTWXRMX-AWEZNQCLSA-N 320.433 3.643 0 40 DHAB O=C(NCc1cccs1)N1CCS[C@@H](c2ccco2)CC1 219432914 VEIRMHOKFFHHQQ-CQSZACIVSA-N 322.455 3.731 0 40 DHAB CCOc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 224991839 QELPGNNTJQAJJB-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB COCc1cccc(NC(=O)CCc2ccc(OC)c(C)c2)c1 225186865 BYPUIPINTFSOAN-UHFFFAOYSA-N 313.397 3.721 0 40 DHAB CCOc1ncc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225900663 DBEVNLQASFVEFU-ACJLOTCBSA-N 320.433 3.713 0 40 DHAB C[C@H]1CC[C@H]1COc1ccccc1I 242701695 WKLKLZKYRQIHCQ-UWVGGRQHSA-N 302.155 3.716 0 40 DHAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 247943185 QIBHNDDMPBCRNN-RBSFLKMASA-N 323.440 3.705 0 40 DHAB O=C(c1cc(F)c(Cl)c(F)c1)C(F)(F)Br 382675585 OXAZQMXUWBMMTL-UHFFFAOYSA-N 305.452 3.789 0 40 DHAB O=C(Nc1ccc(-c2cncnc2)cc1)[C@@H]1CCCC(F)(F)C1 548848618 QOENCJPODGLCMF-CYBMUJFWSA-N 317.339 3.908 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1ccc(Br)cc1Cl 575362150 ILCDXCHKNQDWLS-UHFFFAOYSA-N 319.582 3.627 0 40 DHAB COc1ccc([C@H](NCc2ccccc2CO)C2CC2)c(F)c1 578313547 NKKBGJSJPHFISL-LJQANCHMSA-N 315.388 3.568 0 40 DHAB C[C@](O)(CNc1ncc(Cl)cn1)c1cc2ccccc2s1 1775969207 BMEGWSAJKLZUCJ-HNNXBMFYSA-N 319.817 3.664 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1ccc2nc(C3CC3)cn2n1 1888909632 RGNXARHADTVBSC-UHFFFAOYSA-N 312.760 3.512 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)NCCc2ccccc2)c1 350324 BDNFCHGCMCFJSE-UHFFFAOYSA-N 311.425 3.856 0 40 DHAB CCN(CC)c1ncnc(Cl)c1Cc1ccc(OC)cc1 371152 MDLPNJLNNSNRSU-UHFFFAOYSA-N 305.809 3.576 0 40 DHAB Cc1ccccc1C(=O)c1cccc(CN2CCSCC2)c1 2515268 PSSCTRYMFMCZGN-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB CCCOc1cccc(C(=O)Nc2cccc3nsnc23)c1 3902638 ZKAOARPKKYSWCK-UHFFFAOYSA-N 313.382 3.732 0 40 DHAB O=C(Nc1nccs1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4831885 YGMASENZXLIZPO-ZJUUUORDSA-N 313.209 3.669 0 40 DHAB O=C(O)CC1(CC(=O)Nc2cc(F)ccc2F)CCCCC1 4980040 LUQLAMZYWFVSJX-UHFFFAOYSA-N 311.328 3.719 0 40 DHAB COc1c(O)ccc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5764434 BCWZIZLVBYHFES-PYEWSWHRSA-N 302.414 3.618 0 40 DHAB endogenous,in-man Cc1ccccc1O[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 6302952 IBJZOQOZBQIPME-KMYSJOAASA-N 313.441 3.847 0 40 DHAB COc1ccccc1-c1n[nH]c(=S)n1CCc1ccccc1 6378709 AMLRVUFHSYKQIL-UHFFFAOYSA-N 311.410 3.859 0 40 DHAB CCc1ccc(CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 8276114 PDXMVSIIMKXMJC-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB COC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)s1 8327186 UBJNYYRXHAJHNC-UHFFFAOYSA-N 301.323 3.533 0 40 DHAB CCCCSc1nc(O)c(CC)c(=O)n1C1CCCCC1 8694866 HLXBKVPTCNYXHC-UHFFFAOYSA-N 310.463 3.909 0 40 DHAB CC[C@@H](C)[C@@H](N)c1nnc(SC/C=C/c2ccccc2)o1 8770218 VIEBUZXMVFCQDC-IBAJTVCLSA-N 303.431 3.921 0 40 DHAB CCCCNc1nc(Nc2ccc(C)cc2)c2cnn(C)c2n1 9273228 JSKJGFJIYUTPED-UHFFFAOYSA-N 310.405 3.627 0 40 DHAB CCOc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 12782780 WPNMWSDIRMKIOD-UHFFFAOYSA-N 324.384 3.663 0 40 DHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)c(C)c1 13668400 ZRLLEIGRVJVUHJ-FMIVXFBMSA-N 309.365 3.824 0 40 DHAB Cc1ccccc1CSCC(=O)NCCCc1ccccc1 13670569 GLYZANJLVPIIPJ-UHFFFAOYSA-N 313.466 3.977 0 40 DHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)cc1 14182335 FKAMADOIFMGNFU-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB Cc1ccc(F)cc1NCC(=O)N1CCC[C@H]1c1cccs1 15292386 TXVLISRYGRXGQW-HNNXBMFYSA-N 318.417 3.971 0 40 DHAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(C)cc1)C=CO2 15838746 WDSGRUDXTLNQLB-UHFFFAOYSA-N 307.349 3.932 0 40 DHAB COc1ccc(C(=O)Sc2nnc(C)c3ccccc23)cc1 16266603 QVETZSIHWHSDLU-UHFFFAOYSA-N 310.378 3.879 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCCc2ccccc21 20035604 PWPRYCGHPAMUSS-GOSISDBHSA-N 313.372 3.963 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 20042014 TXKBEPJYRUYOSO-CYBMUJFWSA-N 323.845 3.829 0 40 DHAB CCCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1OC 21580443 YSUGLKRMNHGJRD-UHFFFAOYSA-N 309.369 3.977 0 40 DHAB CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 22533679 XYOQHYJQIIEIPP-INIZCTEOSA-N 303.789 3.986 0 40 DHAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc2ccccc2n1 23889507 RLIOHXBMGBGZII-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 25767286 VKXRXEHRRZIMSX-QGZVFWFLSA-N 303.427 3.503 0 40 DHAB CCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27582708 MYKDRCCAVFCVOT-INIZCTEOSA-N 308.853 3.783 0 40 DHAB Cc1cccc(Cn2cc(NC(=O)Nc3ccccc3)cn2)c1 28579737 WOUJWWKHBAYWDW-UHFFFAOYSA-N 306.369 3.884 0 40 DHAB C[C@@H](CNC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1 32827581 UANRPKNOEBIJJS-HNNXBMFYSA-N 321.424 3.806 0 40 DHAB Cc1ccc(CN(C)C(=O)c2ccc3nccnc3c2)c(C)c1 36393175 ONMXPCKPHFUGIR-UHFFFAOYSA-N 305.381 3.519 0 40 DHAB O=C(CCSc1ccccc1)Nc1ccc2c(c1)OCCO2 36626125 HOPCZMWADKTOGS-UHFFFAOYSA-N 315.394 3.579 0 40 DHAB CCc1ccc2c(C[n+]3ccc4c(c3)CCCC4)cc(=O)oc2c1 41863518 NBBQUALNUWYWHK-UHFFFAOYSA-N 320.412 3.570 0 40 DHAB CCOc1cc(CO)ccc1OCc1c(F)cccc1Cl 42319294 IHFVWFBJCPNQLT-UHFFFAOYSA-N 310.752 3.949 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)c3cnc(C)cn3)cn2)cc1 44799840 ZGNMDAMHGNWLMC-UHFFFAOYSA-N 320.352 3.533 0 40 DHAB O=C(C[C@H]1CCCO1)N[C@H](c1ccccc1)c1cccs1 44939642 VBMOGSUTQFQNIY-RHSMWYFYSA-N 301.411 3.523 0 40 DHAB Cc1noc([C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)n1 46087694 LJXCDQMOWOFGMM-GFCCVEGCSA-N 323.755 3.538 0 40 DHAB CC(=O)N(c1nnc(SCC2CCCCC2)s1)C1CC1 48412489 RAEWUPYHRBQFBQ-UHFFFAOYSA-N 311.476 3.726 0 40 DHAB CCOc1ccccc1CNC(=O)CSCc1ccccc1 53164522 IHXQKYNWWSKPKJ-UHFFFAOYSA-N 315.438 3.635 0 40 DHAB O=C(CCc1ccccc1O)N[C@@H]1CCc2cc(Cl)ccc21 55733920 RBASAPBKHFHYJJ-MRXNPFEDSA-N 315.800 3.782 0 40 DHAB O=C(CSCc1ccncc1)N(Cc1ccsc1)C1CC1 58305387 KRRBZNUAFJLNPK-UHFFFAOYSA-N 318.467 3.568 0 40 DHAB CC(C)(C)c1csc(CCNC(=O)c2c(F)cccc2F)n1 71856433 GITDZSMYWDMUCC-UHFFFAOYSA-N 324.396 3.691 0 40 DHAB Cc1ccc2[nH]c(C3CN(Cc4ccc(F)c(F)c4)C3)nc2c1 85467295 LZMYESYYFGRVIU-UHFFFAOYSA-N 313.351 3.749 0 40 DHAB COc1ccc(F)cc1C[S@](=O)[C@@H](C)c1ccccc1F 89909737 CFRNDRUEALSSGN-WIUDPPPLSA-N 310.365 3.983 0 40 DHAB CC[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918476 VVWQPFVWDXZMGC-LLVKDONJSA-N 307.337 3.944 0 40 DHAB CC(C)N(Cc1cn(C)nc1-c1cccs1)C1CCOCC1 95986767 RGPZUBVIWWWBPP-UHFFFAOYSA-N 319.474 3.538 0 40 DHAB COc1ccccc1NC(=O)NC[C@H](OC)c1ccccc1C 96105183 WDAVOUBSOOURIM-KRWDZBQOSA-N 314.385 3.513 0 40 DHAB O=C(NC[C@@H](O)c1ccco1)N(c1ccccc1)c1ccccc1 97082773 XOVURBALULEQDW-QGZVFWFLSA-N 322.364 3.861 0 40 DHAB CCOc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 100749970 VSLSWBVAZZCISO-RTBURBONSA-N 315.413 3.809 0 40 DHAB CC(C)Sc1nnc(NC(=O)c2ccc(Cl)cc2)s1 102393781 BASFKCRJAWUWOO-UHFFFAOYSA-N 313.835 3.944 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCC1CCCCC1 224615178 IFYFGCQXCSUXRR-OAHLLOKOSA-N 305.418 3.549 0 40 DHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251240411 SSVZZSXNBFNIRC-QAETUUGQSA-N 301.430 3.766 0 40 DHAB CN([C@@H]1C=CCCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 522209266 MNSYOXGMRFYXDZ-LYRGGWFBSA-N 312.240 3.992 0 40 DHAB Cn1cc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]32)cn1 575410721 CHFCTMPBKHIQNO-KCXAZCMYSA-N 303.793 3.708 0 40 DHAB CC1(C(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)CC1 585128037 QENSWSTYXVGIEE-UHFFFAOYSA-N 320.845 3.804 0 40 DHAB Cc1cc(C)c(CNC(=O)c2ccc(Cl)cc2)c(=S)[nH]1 33803 OCRVAMGBQYZMCX-UHFFFAOYSA-N 306.818 3.944 0 40 DHAB Cc1cccc(C)c1NS(=O)(=O)Cc1ccccc1Cl 52205 BQDGWGFKEXNTCR-UHFFFAOYSA-N 309.818 3.899 0 40 DHAB Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 52755 CDPOUIRVJMEBLZ-UHFFFAOYSA-N 318.398 3.993 0 40 DHAB COc1c(Br)ccc2c1CC(C)(C)N=C2SC 107197 IORNQDLBXHGJKK-UHFFFAOYSA-N 314.248 3.902 0 40 DHAB NC(=O)c1cc2ccccc2o/c1=N\c1cccc2ccccc12 178588 PLSXYDOZCPRNKE-XDOYNYLZSA-N 314.344 3.917 0 40 DHAB CCOc1ccc2c(=O)c(Oc3cccc(OC)c3)coc2c1 490070 YONGXMAHGLSXEO-UHFFFAOYSA-N 312.321 3.993 0 40 DHAB biogenic COC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3n2C)C1(C)C 1426742 AXVQFNXCGIJSCL-KPZWWZAWSA-N 300.402 3.656 0 40 DHAB Cc1c(-c2ccccc2)n(O)c(-c2ccccc2Cl)[n+]1[O-] 1568646 YMHQOJVCFFWRJA-UHFFFAOYSA-N 300.745 3.655 0 40 DHAB CC(C)Oc1ccc(C(=O)OCC[C@@H](C)N2CCCC2)cc1 1706424 XRTXIJUDIFZVJZ-OAHLLOKOSA-N 305.418 3.505 0 40 DHAB CCC(C(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F 2286691 LMRNYPTZODFOFJ-UHFFFAOYSA-N 306.231 3.603 0 40 DHAB biogenic Cc1csc(NC(=O)CCc2nc3ccccc3s2)n1 2653881 UCJDLVITHMQABW-UHFFFAOYSA-N 303.412 3.633 0 40 DHAB CCO/C=C1\C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21 3249377 UGFUJFDKZLACMS-PDGQHHTCSA-N 321.376 3.868 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1C(F)(F)F 3281584 VFQPVSJUEUFCDD-UHFFFAOYSA-N 313.304 3.687 0 40 DHAB O=C(/C=C/c1cccs1)Nc1nc(-c2cccnc2)cs1 4063169 MPSGXWAEEHSCRG-AATRIKPKSA-N 313.407 3.919 0 40 DHAB CCCOc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 4681681 QVOLFSXMOHYLNF-UHFFFAOYSA-N 312.369 3.686 0 40 DHAB NC1=N[C@H](c2ccccc2Cl)N2C(=N1)Sc1ccccc12 4747293 SAWOCHQAEXFKHE-ZDUSSCGKSA-N 314.801 3.635 0 40 DHAB CC[C@@H](C)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 5146561 HWCJCPSSARCFHB-GFCCVEGCSA-N 313.426 3.520 0 40 DHAB CCCN(CCC)C[C@@H](O)c1ccc(Br)cc1 6380179 QTESLTIBJCSSBB-CQSZACIVSA-N 300.240 3.605 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(C)=O 6832396 BGTWGAUFQKBWFJ-UHFFFAOYSA-N 303.745 3.804 0 40 DHAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](O)c1ccccc1 6851042 MMHHGWQXSWYUEY-XHDPSFHLSA-N 323.314 3.557 0 40 DHAB COc1ccc(SCC(=O)NCc2ccccc2Cl)cc1 7135001 WBFLLXKKJBXMCY-UHFFFAOYSA-N 321.829 3.757 0 40 DHAB COCc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1 7525615 VSANIMZGBBVBFE-LLVKDONJSA-N 305.324 3.602 0 40 DHAB CN(C)[C@H](CNC(=O)Nc1cccc(Cl)c1)c1ccccc1 10017723 SHJGRJGIHMCXBW-MRXNPFEDSA-N 317.820 3.764 0 40 DHAB COc1cc2nc(Cl)nc(N3CCCC[C@H]3C)c2cc1OC 11756897 YOIHZVPHRVHXND-SNVBAGLBSA-N 321.808 3.679 0 40 DHAB O=C(CCc1ccco1)NCCOc1ccc2ccccc2c1 12979020 GXCVAVKODCXDSQ-UHFFFAOYSA-N 309.365 3.561 0 40 DHAB C[C@@H](Sc1ccc(N)cc1)C(=O)N1c2ccccc2C[C@H]1C 13578892 HCDLLEKERCBFKF-CHWSQXEVSA-N 312.438 3.727 0 40 DHAB O=C(Nc1ccc(F)cc1Br)c1ccc(F)cc1 20430095 CKRGITAFXTWYGZ-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CC(C)CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 20492413 RKAKYQGLIUIRJS-UHFFFAOYSA-N 308.425 3.635 0 40 DHAB Cc1sc(CC(=O)NCc2ccccc2)nc1-c1ccccc1 24827193 YVOXBADVQQPIRB-UHFFFAOYSA-N 322.433 3.977 0 40 DHAB C[C@@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C[C@@H](C)O1 29736172 QLNWPLRLOMMCDI-CHWSQXEVSA-N 314.429 3.715 0 40 DHAB CC[C@H](C)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 32895939 ZRPVGMFRWQDGMY-JTQLQIEISA-N 320.414 3.812 0 40 DHAB CN(C(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2o1 32901884 OJVOJIJHJSYZTB-UHFFFAOYSA-N 300.745 3.687 0 40 DHAB Cc1cc(C)c(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)c(C)c1 35031451 XSNHSRSRUZLJLL-KSZLIROESA-N 305.462 3.614 0 40 DHAB Cc1cc(C)c(-c2cn3c(C)c(C(=O)O)sc3n2)c(C)c1 40438270 UNHZFRBFQZYNEP-UHFFFAOYSA-N 300.383 3.995 0 40 DHAB CN(C)C(=O)c1ccc(OCc2cc(-c3ccccc3)on2)cc1 42114112 GWHMBBQMGDGPRD-UHFFFAOYSA-N 322.364 3.622 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)N1CC[C@@H]1c1ccccc1 45376841 WTPSBHSUXMVVRQ-GOSISDBHSA-N 306.409 3.875 0 40 DHAB COc1cc(Cl)ccc1C(=O)NCc1cccc(Cl)c1 49398056 VSVMDYWBNZATCP-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB O=C(Nc1cccc(CNCc2ccccc2)c1)c1ccncc1 55171861 OYINOQZZEMFZMD-UHFFFAOYSA-N 317.392 3.624 0 40 DHAB COc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1OC 56181538 NCWYIWKJZSXPRZ-GFCCVEGCSA-N 315.369 3.663 0 40 DHAB COc1ccc(N(C(=O)c2ccc(C)nc2)[C@@H](C)C2CC2)cc1 58180589 JPUSRQRRBDZESY-AWEZNQCLSA-N 310.397 3.844 0 40 DHAB Cc1noc(C)c1CNC(=O)N[C@@H](C)c1cc2ccccc2o1 58418684 RXBYKEVMEAWMQS-NSHDSACASA-N 313.357 3.598 0 40 DHAB O=C(CC[C@@H]1CCCO1)OCc1csc(Br)c1 58938173 MFJDXYOTQXJDRN-JTQLQIEISA-N 319.220 3.513 0 40 DHAB Cc1nc(SCC(=O)Nc2ccccc2)c2ccccc2n1 65501959 UGCXPTZEBXQCIZ-UHFFFAOYSA-N 309.394 3.669 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(NC3CCOCC3)cc2)s1 69485086 YRLRCATWFUSHIM-UHFFFAOYSA-N 316.426 3.900 0 40 DHAB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1c(Cl)cccc1Cl 69549999 QMOFMPXYBDCNQQ-JTQLQIEISA-N 320.172 3.644 0 40 DHAB biogenic CCc1ccsc1C(=O)Nc1[nH]nc(-c2ccncc2)c1C 69633206 POWBRGOLXGTIOB-UHFFFAOYSA-N 312.398 3.656 0 40 DHAB C[C@@H](SCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 69670290 WJMGUWSBTVPVBW-SECBINFHSA-N 312.378 3.544 0 40 DHAB O=S(=O)(CC1CCCCC1)N[C@H](c1ccccc1)C1CC1 72230465 XNANDXCBGVLLQB-QGZVFWFLSA-N 307.459 3.637 0 40 DHAB CCc1nccn1-c1cccc(C2CCN(C3CCCC3)CC2)n1 72378702 LLHNWDHBHIZSID-UHFFFAOYSA-N 324.472 3.952 0 40 DHAB CC[C@@H](C)CN(C)C(=O)Nc1cccc(-c2nccn2C)c1 77446691 ZZCLRGSUZSLCHO-CYBMUJFWSA-N 300.406 3.597 0 40 DHAB C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(F)cc1 80344828 RFTAIGSHRDHHFI-NSHDSACASA-N 307.752 3.676 0 40 DHAB CCc1cnc([C@@H](C)NC(=O)N(C2CC2)[C@@H](C)C(C)C)s1 86428807 WICNICMXXIERSK-NEPJUHHUSA-N 309.479 3.985 0 40 DHAB C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cnc2ccsc2c1 95968389 CFGSVLUNCTZOHA-SPGJAERMSA-N 302.443 3.760 0 40 DHAB CC(C)n1cnc(-c2cc(C(=O)N3CCCC3)c3ccccn23)c1 96154897 OARYQBZWJXFULD-UHFFFAOYSA-N 322.412 3.620 0 40 DHAB C[C@@H]1CN(C(=O)Nc2ccccc2F)C[C@H](c2ccsc2)O1 96469326 CZFQUCIKKUKQBR-IAQYHMDHSA-N 320.389 3.881 0 40 DHAB c1cncc([C@H]2N[C@H]3c4c(ccc5ccccc45)OC[C@H]3CO2)c1 102430137 CVTVSDQCGJDMLX-BEVDRBHNSA-N 318.376 3.603 0 40 DHAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)CCCC1=N2 102670508 XPFCKOOCCLWQRQ-HNNXBMFYSA-N 316.311 3.536 0 40 DHAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N(Cc1cccnc1)Cc1ccco1 102823718 MWEIOPKUVVZHPT-KYJSFNMBSA-N 310.397 3.640 0 40 DHAB CN1C(=O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C 104115393 LSTYNRPPTUJOBK-STBDEUKGSA-N 317.473 3.521 0 40 DHAB Cc1cccnc1[C@H](NC(=O)NC1Cc2ccccc2C1)C(C)C 186569549 FUIRIANZTVWKQL-GOSISDBHSA-N 323.440 3.554 0 40 DHAB Cc1cccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222556722 XAPLNVBISUDYAE-XKQJLSEDSA-N 309.438 3.979 0 40 DHAB COc1ccc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)cc1 224154735 LUWSOCTUDVQODL-ZDUSSCGKSA-N 307.434 3.794 0 40 DHAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cccnc1 224340733 NMJIKPDCRZPXHP-UHFFFAOYSA-N 320.352 3.533 0 40 DHAB COc1ccc(C)cc1C[C@H](Sc1ccccc1)C(=O)O 225118785 WMUWHWBRTTYJGY-INIZCTEOSA-N 302.395 3.792 0 40 DHAB Cc1cnc(C2(C)CCN(Cc3scnc3C)CC2)s1 257331367 XSOJHFSINWPCPS-UHFFFAOYSA-N 307.488 3.770 0 40 DHAB Cc1nsc(N2CCC(c3noc4cc(F)ccc34)CC2)n1 291075474 HNTXWUQGMPFUJD-UHFFFAOYSA-N 318.377 3.511 0 40 DHAB O=C(CCc1cccc(Cl)c1)NC1CCC(F)(F)CC1 390830337 KGPPBWKOBNRNIK-UHFFFAOYSA-N 301.764 3.967 0 40 DHAB NCCC[C@@H](NCc1cnc(C2CC2)s1)c1ccccc1 579208278 SHKNUXRSQNGFAX-MRXNPFEDSA-N 301.459 3.590 0 40 DHAB Cc1noc(C)c1CC(=O)N1CCCc2ccc(F)c(Cl)c21 585125331 OAAAQJFPFKDRLC-UHFFFAOYSA-N 322.767 3.606 0 40 DHAB COc1ccccc1C(=O)Oc1ccc(Br)cc1 1016977 IATAUOUCFRRKTB-UHFFFAOYSA-N 307.143 3.677 0 40 DHAB CC(C)(C)NC(=O)CCc1ncc(C(F)(F)F)cc1Cl 1383339 GIJCRDCGWWDNMG-UHFFFAOYSA-N 308.731 3.601 0 40 DHAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2OC)cc1 2051790 HACWFOCXWRSNGF-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 2066414 LBIMGRCTVRJFFH-UHFFFAOYSA-N 310.397 3.777 0 40 DHAB CCOc1ccccc1NC(=O)COc1ccc2c(c1)CCC2 2624592 FHLFRGJCKGCLDM-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB COc1cc(C(=O)NC2CCC(C)CC2)ccc1OC(F)F 3344634 RQMUAMPPNIALPE-UHFFFAOYSA-N 313.344 3.605 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1OC 3517779 INSQUBRLIXYARY-UHFFFAOYSA-N 303.333 3.875 0 40 DHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1 6439331 HHOMHBWLWHPGLQ-UHFFFAOYSA-N 309.321 3.862 0 40 DHAB COc1ccc2cc(-c3nc(-c4ccccc4)no3)c(=O)oc2c1 6816611 XLKGCKJYTKDOOD-UHFFFAOYSA-N 320.304 3.519 0 40 DHAB CC(C)c1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 7132578 BKLQPBPPDSJFSS-UHFFFAOYSA-N 306.365 3.904 0 40 DHAB O=C(Oc1ccc(Br)cc1Cl)c1ccncc1 7779074 KXRBUCSVXSBAQV-UHFFFAOYSA-N 312.550 3.717 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(C)cc1 8495579 BRPOKKKSLSDAIO-INIZCTEOSA-N 301.361 3.608 0 40 DHAB CCc1cc2c(NCCCC(=O)O)nc(C(C)C)nc2s1 8704567 YZXFHZJZPKDZNR-UHFFFAOYSA-N 307.419 3.654 0 40 DHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(F)cc1 8914676 CNRHJAIHQPJJRY-UHFFFAOYSA-N 313.357 3.520 0 40 DHAB O=C(c1ccccc1)N(C(=O)N1CCCCC1)c1ccccc1 10254435 QRSUYXNKQMEAGE-UHFFFAOYSA-N 308.381 3.939 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cccc2cccnc12 12186457 WPKKFFLMEUMDPA-QFBILLFUSA-N 316.408 3.595 0 40 DHAB CCCOc1ccc([C@@H](Nc2ccccc2)P(=O)(O)O)cc1 12523574 ODSARMBXMVWRDB-INIZCTEOSA-N 321.313 3.764 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)Nc3ccc(C)cc3)ccc21 12854479 AOSMRISDZQYECZ-UHFFFAOYSA-N 309.369 3.548 0 40 DHAB Cc1nn(C)c2sc(C(=O)NCc3cccc(Cl)c3)cc12 12995151 WAZKYMBHJNQSKN-UHFFFAOYSA-N 319.817 3.527 0 40 DHAB Cc1ccc([S@](=O)CCC[S@](=O)c2ccc(C)cc2)cc1 13398457 WMAYQNLTRBBCGT-OYRHEFFESA-N 320.479 3.609 0 40 DHAB COc1ccc(NC(=O)CCSc2ccc(C)cc2)cn1 15617383 YMRLYZBCWGAQBQ-UHFFFAOYSA-N 302.399 3.520 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)c1 15952780 SUNGPJHQMFSMNH-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB COC(=O)/C=C\c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 17254871 LMFDBWKYNJXUEE-CLFYSBASSA-N 304.389 3.757 0 40 DHAB COc1ccc([C@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1 19927615 YUPYSKJNNWAEPR-QMTHXVAHSA-N 320.439 3.627 0 40 DHAB CCc1oc2ccccc2c1/C=C/C(=O)N1C[C@H](C)O[C@H](C)C1 22836053 DFCBNEHKZZXGQG-BTUFVMOBSA-N 313.397 3.644 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C 28577375 SYQVMHDWPSBPAF-OAHLLOKOSA-N 303.427 3.651 0 40 DHAB CC(C)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12 32073859 QWDOQDKRKCPSMA-UHFFFAOYSA-N 309.344 3.574 0 40 DHAB CC(C)Cc1csc2nc(O)n3nc(-c4ccco4)nc3c12 32074365 YSHUSTCVDPVQRY-UHFFFAOYSA-N 314.370 3.503 0 40 DHAB CCCn1nc(C)cc1NC(=O)c1ccccc1Br 32647624 QCFRBMOAJOYXDS-UHFFFAOYSA-N 322.206 3.616 0 40 DHAB CC[C@H](CNC(=O)c1ccc2nccnc2c1)c1ccccc1 32722748 MLNODTSWYNXYSZ-CQSZACIVSA-N 305.381 3.553 0 40 DHAB O=C(CCCc1nc2ccccc2o1)N1CCc2ccccc21 32924374 MWMGISFYAQKCNT-UHFFFAOYSA-N 306.365 3.740 0 40 DHAB COCCN1CCCc2ccc(NC(=O)c3cccc(C)c3)cc21 35588057 JVBFXADOHYZFAD-UHFFFAOYSA-N 324.424 3.646 0 40 DHAB O=C(NCc1cc(-c2ccccc2)on1)c1cc2ccccc2[nH]1 38752560 REUNUNKMRCJZQG-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB O=C1CCCCCN1CCCNc1nc2ccccc2s1 39976582 OHMFJKXMQLUNNQ-UHFFFAOYSA-N 303.431 3.501 0 40 DHAB Cc1cc(=O)n2c3ccccc3n(Cc3ccccc3Cl)c2n1 40484918 NZNBOJNZNQLBEN-UHFFFAOYSA-N 323.783 3.659 0 40 DHAB Cc1cc(Br)c2oc(-c3cc(N)ccc3O)nc2c1 40542285 QTDNRNYJTRVJKY-UHFFFAOYSA-N 319.158 3.854 0 40 DHAB O=C(COc1cccc(C(F)(F)F)c1)NC1CCCCC1 41103607 FAUOXKCRZCMCFU-UHFFFAOYSA-N 301.308 3.533 0 40 DHAB CCc1noc([C@H]2CCCN(C(=O)CCC3CCCCC3)C2)n1 41122355 GNQZVQWFZSYOMK-HNNXBMFYSA-N 319.449 3.699 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)N1CCCc2ccccc21 44904258 PCVKKLSLTIOXHY-OAHLLOKOSA-N 309.409 3.996 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 49738623 DNFZMWNCSSFAND-AWEZNQCLSA-N 323.371 3.722 0 40 DHAB COc1c(C)cnc(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1C 50448718 LRJBFQZFERFCJE-GDBMZVCRSA-N 316.445 3.562 0 40 DHAB O=C(CCc1cccs1)Nc1ccc(N2CCCCC2)nc1 69350144 YDTAACZACWVZFE-UHFFFAOYSA-N 315.442 3.705 0 40 DHAB COCCn1ccc2cc(NC(=O)c3cccs3)ccc21 69490755 YOJHCYUBKMOLDO-UHFFFAOYSA-N 300.383 3.602 0 40 DHAB CC[C@H](C)n1nccc1NC(=O)Cc1cccc(OC(F)F)c1 71884049 FRLQNAQUUFUKRA-NSHDSACASA-N 323.343 3.637 0 40 DHAB CCOc1c(F)cccc1C(=O)N(CC)[C@@H](C)c1ccncc1 76091099 WRXFEOQJJDBKJH-ZDUSSCGKSA-N 316.376 3.843 0 40 DHAB CC[C@@H](Sc1nc(=O)ccn1C(C)C)C(=O)c1ccccc1 77936658 QGLNPOAMOYUUMG-CQSZACIVSA-N 316.426 3.578 0 40 DHAB C[C@H](C(=O)Nc1ccc(CCN(C)C)cc1)c1cccs1 78109320 FQDZHIBTTBEKRU-ZDUSSCGKSA-N 302.443 3.594 0 40 DHAB Clc1ccc(-c2nc(CSC[C@@H]3CCCO3)no2)cc1 84421718 DUNHNAJCXIVPKZ-LBPRGKRZSA-N 310.806 3.802 0 40 DHAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89363650 LMVSIGIBTYZXBA-PMACEKPBSA-N 316.404 3.997 0 40 DHAB CCN(C)C[C@@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 93770129 KBMKXLFWABCUFM-AWEZNQCLSA-N 307.507 3.574 0 40 DHAB COc1ccc([C@@H](O)CN[C@@H](c2cccs2)C2CC2)cc1 95352999 CJOLNLGSLHEWGN-DOTOQJQBSA-N 303.427 3.531 0 40 DHAB Cc1ccc(N[C@H](C)c2cccc(F)c2)cc1NS(C)(=O)=O 95404403 VHVXSYJOSGSATK-GFCCVEGCSA-N 322.405 3.679 0 40 DHAB O=C(NC1CC1)[C@@H](Cc1ccccc1)NC1CCCCCCC1 95463518 ONKLBKSDDIMOIY-LJQANCHMSA-N 314.473 3.579 0 40 DHAB Cc1ccc2c(c1)OCCC[C@H]2NCc1nccn1CC(C)C 96478386 BOLNKYCKBLDIAD-QGZVFWFLSA-N 313.445 3.851 0 40 DHAB CCCCN1[C@H]2CCC[C@H]1CC(NC(=O)NC1CCCCC1)C2 100425671 IUTAYGHMDXGUGL-ROUUACIJSA-N 321.509 3.804 0 40 DHAB COc1cccc(C2=C[C@H](c3ccc(C)cc3)n3ncnc3N2)c1 101027385 PLVFDXJRAHWQPA-GOSISDBHSA-N 318.380 3.651 0 40 DHAB O=C(O)c1ccccc1C(=O)O[C@H]1C[C@@H]2CC3(CC3)[C@@H]1C21CC1 104429754 SPLOOJZSTBSGKD-BYCMXARLSA-N 312.365 3.510 0 40 DHAB Cc1sc(Nc2ccccc2C(F)(F)F)nc1C(=O)O 164609011 KFZYSRYMKIRWGE-UHFFFAOYSA-N 302.277 3.912 0 40 DHAB CCOc1ccc(-c2cnc(-c3ccccc3C(N)=O)o2)cc1 224915058 CGFOQDKZHRWUOT-UHFFFAOYSA-N 308.337 3.506 0 40 DHAB CCn1c(=O)sc2cc(NC(=O)Nc3ccccc3)ccc21 225075016 PWSMEZCFMVIUIG-UHFFFAOYSA-N 313.382 3.727 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSC2CCCC2)c1 225515343 CHNVWLLPYAZJTQ-HNNXBMFYSA-N 321.486 3.863 0 40 DHAB Cc1cccc(C)c1NC(=O)c1cc2cccc(C)c2oc1=O 226034441 KUNWVVARFRRRGD-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C1CCCCC1 409091606 QHSKOGWFSCXFIW-UVTDQMKNSA-N 304.777 3.565 0 40 DHAB O=C(CC[C@H]1CCOC1)N[C@H]1C[C@H](c2ccccc2Cl)C1 521394402 KBLLLPMTAATKEP-IHRRRGAJSA-N 307.821 3.519 0 40 DHAB c1ccc2c(c1)ncn2Cc1noc(-c2cccc3[nH]ccc23)n1 576604165 OFCJJCROJWHWAK-UHFFFAOYSA-N 315.336 3.616 0 40 DHAB O=C(c1nccc2ccccc12)N1COCC[C@@H]1c1ccccc1 1597936922 LUXZOOUXOYVCRV-GOSISDBHSA-N 318.376 3.796 0 40 DHAB Cc1cc(C)n2nc(SCc3ccc(Cl)cc3)nc2n1 115667 HJOJVYPLOUSZAX-UHFFFAOYSA-N 304.806 3.687 0 40 DHAB COc1ccc2ncc(C(=O)NC3CCCC3)c(Cl)c2c1 149366 BZGIEJNLTYHZKR-UHFFFAOYSA-N 304.777 3.569 0 40 DHAB Cc1ccccc1-n1nc2c(c1NC(=O)C(C)C)CSC2 190324 YTAFXYMNRKJJAE-UHFFFAOYSA-N 301.415 3.522 0 40 DHAB CC[C@](C)(C(=O)NC1CCCCC1)N(C(C)=O)c1ccccc1 246558 BKRDBLIVHFVAGJ-LJQANCHMSA-N 316.445 3.657 0 40 DHAB CCOc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 523993 IVRXOQCOHPCQKZ-SJORKVTESA-N 320.396 3.823 0 40 DHAB CC[C@H]1Nc2ccccc2-c2nnc(SC(C)C)nc2O1 997678 GRRNMNKDWKAZLG-LBPRGKRZSA-N 302.403 3.580 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1 3219460 NNTYOYCZJARBGH-UHFFFAOYSA-N 315.344 3.745 0 40 DHAB O=C(O)CC1(CC(=O)Nc2cccc3cnccc23)CCCC1 3230791 NPLWBROKMTVDGR-UHFFFAOYSA-N 312.369 3.599 0 40 DHAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCCCC1 3571840 HKAYEKUNHNEOOR-GOSISDBHSA-N 312.388 3.991 0 40 DHAB COc1ccc(CCNCc2cn(C)c3ccccc23)cc1OC 3772342 YURPACHWRLMDTP-UHFFFAOYSA-N 324.424 3.528 0 40 DHAB CCCCOC(=O)Nc1nnc(Cc2ccccc2F)s1 4178881 CWJHYFNIOCNYGI-UHFFFAOYSA-N 309.366 3.617 0 40 DHAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)O1 4603958 GFNYGSJTVOPVCO-HOCLYGCPSA-N 315.756 3.583 0 40 DHAB FC(F)(F)c1nc2ccccc2n1Cc1nc2ccccc2[nH]1 4626568 JRCUJCXJJZKTOG-UHFFFAOYSA-N 316.286 3.980 0 40 DHAB COC(=O)[C@H]1C(=O)c2ccccc2[C@@H](C)[C@@H]1c1ccccc1C 4743721 RJIJKMUULKLTHQ-FSPWUOQZSA-N 308.377 3.868 0 40 DHAB FC1=C(Br)[C@@]2(F)[C@@H]3CC[C@@H](O3)[C@@]2(F)C(F)=C1F 5046682 GYYPJAYOWIUSLS-HDALREARSA-N 317.051 3.704 0 40 DHAB CCCCNC(=O)CSc1nc(C)nc2sc(C)c(C)c12 5428852 PGVALVBVXZESSV-UHFFFAOYSA-N 323.487 3.625 0 40 DHAB COC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2 6179832 KJUDABNICCYECG-UHFFFAOYSA-N 320.186 3.663 0 40 DHAB CCc1ccc2c(CC(=O)NCc3ccccc3OC)coc2c1 7305530 YQBKLVUXSZVTOI-UHFFFAOYSA-N 323.392 3.863 0 40 DHAB CC(C)OC(=O)c1cccc(-c2ccc(/C=C/C(=O)O)o2)c1 8729565 LJGDQJBISNNQSG-VQHVLOKHSA-N 300.310 3.610 0 40 DHAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccccn1 8746355 ORHPZINPJXXSAY-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB Cc1c(Nc2nc(-c3ccc(F)cc3F)cs2)cnn1C 8782483 NPAVYSAADVXAOL-UHFFFAOYSA-N 306.341 3.874 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc(C)cn3)c(C)nc2c1 9118740 NFECCUVJFVJWKQ-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB CCCCc1ccc(-n2nc3ccc(NC(C)=O)cc3n2)cc1 9141382 XJFFUCUGCDXSDK-UHFFFAOYSA-N 308.385 3.722 0 40 DHAB CCCCCn1c(S)nnc1COc1ccc(Cl)cc1 11692600 QEWRIQFPZDZZNA-UHFFFAOYSA-N 311.838 3.989 0 40 DHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N(C)C)cc1 12556041 QMLZFOSOWBFBBB-CQSZACIVSA-N 323.440 3.680 0 40 DHAB CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OC(F)(F)F 12633078 RSEZGNFRPDPDRN-AWEZNQCLSA-N 322.286 3.782 0 40 DHAB Cc1cc(C)c2cc(C(=O)NCCN(C(C)C)C(C)C)[nH]c2c1 12742998 NUOMJORZBIPQON-UHFFFAOYSA-N 315.461 3.633 0 40 DHAB CC[C@H](C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12746766 GWRVTSZBQPUOIQ-LBPRGKRZSA-N 302.422 3.664 0 40 DHAB Cc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1C 12901607 NVTMTJLKFRQWTC-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB CN(Cc1cccs1)C(=O)C1=Cc2cc(Cl)ccc2OC1 12919028 GRGAJRUCFDWNJF-UHFFFAOYSA-N 319.813 3.836 0 40 DHAB Cc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 13131357 SKZUFMZSQVXPKH-DLBZAZTESA-N 319.412 3.623 0 40 DHAB aggregator COc1ccccc1C(=O)N(C)c1ccc(N2CCCC2)cc1 13673013 VRYHWHNEUUCTRM-UHFFFAOYSA-N 310.397 3.572 0 40 DHAB Cc1cccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 14790104 QKOZPWIWQFLSEQ-UHFFFAOYSA-N 323.314 3.709 0 40 DHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc2ccccc2[nH]1 16104185 KDWANRHWCZEMMT-UHFFFAOYSA-N 316.263 3.742 0 40 DHAB CCCn1c(=O)n(Cc2ccc(SC)cc2)c2ccccc21 22144817 DIKQITUPWCKUJO-UHFFFAOYSA-N 312.438 3.983 0 40 DHAB Cc1ccccc1CC(=O)Nc1cccc(N2CCCCC2=O)c1 24941544 HBEAAORRLJRQLS-UHFFFAOYSA-N 322.408 3.693 0 40 DHAB CN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(F)cc1F 24949822 ZQJPQAFRUXLQOR-UHFFFAOYSA-N 315.323 3.647 0 40 DHAB Cc1cc(C)nc(NCc2cccc(NC(=O)c3ccco3)c2)n1 25571208 WLUYYHQUXYMISW-UHFFFAOYSA-N 322.368 3.551 0 40 DHAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)on1 27581065 JALPPCZWUKORKF-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB Cc1ccccc1Cn1cc(NC(=O)c2sccc2C)cn1 27920355 KKOUREXRLIZGCM-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB CCc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29482998 LJQMCJAYLKIXIW-LJQANCHMSA-N 308.425 3.807 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)NCCCc1ccccc1 30851643 XMPFXALQWYBPLO-SFHVURJKSA-N 311.425 3.901 0 40 DHAB Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1Cl 32755044 ZHXGJSCWZKSMOW-UHFFFAOYSA-N 300.738 3.555 0 40 DHAB Cc1nc2ccc(C(=O)N(C)CC3CCCCC3)cc2nc1C 32769704 YWNDOIAPYBCZFF-UHFFFAOYSA-N 311.429 3.899 0 40 DHAB CCc1cccc(NC(=O)N(C)Cc2ccc3c(c2)OCO3)c1 40098828 DONRWFIJOKAFSI-UHFFFAOYSA-N 312.369 3.642 0 40 DHAB COc1ccc(N[C@H](C)c2nc(C(C)(C)C)no2)c(OC)c1 40494025 RNHQWQDGCRKAMX-SNVBAGLBSA-N 305.378 3.557 0 40 DHAB CCCCOc1ccc2cc(S(=O)(=O)NC(C)C)ccc2c1 41105607 TWLJUOTWNGOGCN-UHFFFAOYSA-N 321.442 3.705 0 40 DHAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)cc1 42646709 JMTNSONAUWLDKG-UHFFFAOYSA-N 324.424 3.547 0 40 DHAB C[C@@H](c1ccccc1F)N(C)C(=O)COc1cccc(F)c1 45191940 WIYHEZMHICDGKX-LBPRGKRZSA-N 305.324 3.563 0 40 DHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(Cl)cn1C 45250006 GYILHUPDKPJXRK-LLVKDONJSA-N 306.793 3.520 0 40 DHAB C[C@H](NC(=O)CCCOc1ccccc1Cl)c1cccnc1 50552782 JGMSGRDFQFACPQ-ZDUSSCGKSA-N 318.804 3.771 0 40 DHAB Cc1noc2ncc(C(=O)N(C3CCC(C)CC3)C3CC3)cc12 58282580 JVTFDYZQKKFTGZ-UHFFFAOYSA-N 313.401 3.715 0 40 DHAB CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2N)c1 61665833 CXTCOKWCWQNSLM-UHFFFAOYSA-N 304.777 3.962 0 40 DHAB Nc1cncc(-c2nc3cc(Br)ccc3s2)c1 62947229 DALBQLZZVMSFJN-UHFFFAOYSA-N 306.188 3.703 0 40 DHAB C[C@H]1CCC[C@@](O)(CNC(=O)Nc2cccc3ccccc23)C1 65566564 AQRGVGSAODSYOV-LIRRHRJNSA-N 312.413 3.903 0 40 DHAB Cc1cc(C)cc(CN[C@H](c2ccccc2)c2nccn2C)c1 65890015 LFOAVHIMTJZEOX-LJQANCHMSA-N 305.425 3.916 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)c2ccn(C(C)C)n2)n1 72281651 VEJYNNSDTUHTTE-CQSZACIVSA-N 318.446 3.596 0 40 DHAB C[C@H](Cc1ccncc1)OC(=O)Cc1csc(C(C)(C)C)n1 72310819 FLXFLDDCCDSLPQ-GFCCVEGCSA-N 318.442 3.553 0 40 DHAB O=C(N[C@@H]1CCc2ccccc21)c1cc(-c2ccc(F)cc2)[nH]n1 72328226 OXORLJBZKKDYIF-MRXNPFEDSA-N 321.355 3.633 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cc(F)ccc1C2 85652948 YKFPWSJHBMLIRF-UHFFFAOYSA-N 320.408 3.811 0 40 DHAB C[C@@H](NCCCc1ccccc1)c1ccc([S@](C)=O)cc1 95419172 FWNXXRRWMUETGI-QVKFZJNVSA-N 301.455 3.707 0 40 DHAB Cc1nc(CCN[C@@H](C)c2ccc3c(c2)OCCCO3)cs1 95419979 BTFPQLMATXKJPK-LBPRGKRZSA-N 318.442 3.506 0 40 DHAB Cc1csc(C2(NC(=O)CC[C@H]3CC[C@@H](C)O3)CCCC2)n1 96441087 MDFNKEQASVEHRL-ZIAGYGMSSA-N 322.474 3.685 0 40 DHAB C[C@@H](C(=O)N(Cc1cccs1)C1CC1)[C@H](N)c1ccccc1 96467577 AWRBBEVNXAUPRZ-DYVFJYSZSA-N 314.454 3.575 0 40 DHAB CC(=O)Nc1ccc2nc(NCc3scnc3C)sc2c1 96495342 SPODORHFHSHRFJ-UHFFFAOYSA-N 318.427 3.632 0 40 DHAB CCN(Cc1cccs1)C[C@H]1CN(c2ccccc2)C(=O)O1 97002268 IOTQGVQJSPYCDL-HNNXBMFYSA-N 316.426 3.595 0 40 DHAB Cc1ccc(C(=O)CC(=O)c2ccccc2OC(C)C)c(O)c1 105991633 PVZPEWQLGGOSDJ-UHFFFAOYSA-N 312.365 3.944 0 40 DHAB biogenic CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 157236788 XMPSKZSAWMRXOM-HOCLYGCPSA-N 318.461 3.525 0 40 DHAB Cc1ccc2c(c1)[C@@H](NCc1nncn1-c1ccccc1)[C@H](C)C2 180097846 IHKSGJPQRANFQY-QRWLVFNGSA-N 318.424 3.599 0 40 DHAB Cc1occc1[S@](=O)Cc1coc(-c2c(F)cccc2F)n1 189634734 GAIACDMRXXIVBA-JOCHJYFZSA-N 323.320 3.829 0 40 DHAB CCn1nc(C)c(N[C@H](C)c2cccc(NC(C)=O)c2)c1C 195552520 QIDGGSSODVDNBS-LLVKDONJSA-N 300.406 3.651 0 40 DHAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccncc1 223972741 SMQAPWMPHKMMCV-UHFFFAOYSA-N 311.454 3.880 0 40 DHAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)C(C)C 224335973 MANMWRUDTXSTFH-UHFFFAOYSA-N 303.337 3.619 0 40 DHAB CCc1ccc(CC)c(CNC(=O)COc2ccc(C)cc2)c1 225563919 PHQJFJLHRBWSOW-UHFFFAOYSA-N 311.425 3.815 0 40 DHAB Cc1ncsc1C(=O)NCc1cncc(-c2cccs2)c1 225667526 SDSTWMBQEKEKQM-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB Cc1cccc(NC(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)c1 225754261 UPTLLMOLMHLOCB-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1Cl 226322455 WWODMZSFMPFUFX-SOFGYWHQSA-N 315.756 3.999 0 40 DHAB COc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1Cl 227157290 RFUKLMMLGVCGGG-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cc1csc2nc(SCC(=O)c3ccccc3)nc(O)c12 408597878 ZCDQFUNOJMPZFS-UHFFFAOYSA-N 316.407 3.680 0 40 DHAB c1cn(-c2ccc(CSc3ccc4c(c3)OCCO4)cc2)cn1 561285055 GIXFEBZAKZQPDS-UHFFFAOYSA-N 324.405 3.936 0 40 DHAB Cc1cc(Cl)nc2c(I)cccc12 575595537 OIZVLCQMKPVFNM-UHFFFAOYSA-N 303.530 3.801 0 40 DHAB C[C@@H]1COc2ccccc2CN1C(=O)C1(C(F)F)CCCC1 585083672 BHMQQWIFWZSJLN-GFCCVEGCSA-N 309.356 3.622 0 40 DHAB C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2c2ncccn2)CC(C)(C)C1 585131406 VFOOAGXMRRWNOF-QLFBSQMISA-N 301.434 3.603 0 40 DHAB Nc1ccc(Br)cc1-c1n[nH]c(-c2ccsc2)n1 585157949 UQDAHNMWSGJEHA-UHFFFAOYSA-N 321.203 3.545 0 40 DHAB COC1(COc2cccc(Cl)c2)CCN(C2CCC2)CC1 585281746 QOHPMTCXANOFHD-UHFFFAOYSA-N 309.837 3.752 0 40 DHAB C[C@H](c1ccccc1)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)O 31898 UAJHBFHNGNEZJR-MLGOLLRUSA-N 315.344 3.659 0 40 DHAB Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 267387 CFXCSWSBOUAXDR-UHFFFAOYSA-N 309.321 3.765 0 40 DHAB COC(=O)Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl 1385666 XWXTYNJZEATEBH-UHFFFAOYSA-N 319.670 3.723 0 40 DHAB CN(C)CCCNC(=S)Nc1ccc(-c2ccccc2)cc1 3368565 VNPACMJIGFGMCR-UHFFFAOYSA-N 313.470 3.592 0 40 DHAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 3446307 YNIXMOFZBJTAHV-AWEZNQCLSA-N 303.427 3.679 0 40 DHAB COC(=O)c1ccc(OC(=O)c2cc3c(s2)CCCC3)cc1 3560553 XYQLJYSCBMENCD-UHFFFAOYSA-N 316.378 3.633 0 40 DHAB O=C(Nc1ccccn1)c1cccc(-c2ccccc2C(=O)O)c1 4710037 CVBXXDXTJJFEOJ-UHFFFAOYSA-N 318.332 3.699 0 40 DHAB O=C(CNC1CCCCCC1)Nc1ccc(N2CCCC2)cc1 4896221 SZZKTTCVMGZDMZ-UHFFFAOYSA-N 315.461 3.538 0 40 DHAB COc1cc(NC(=O)CSc2ccccc2F)cc(OC)c1 5681785 SAZQBQSVOIBBKO-UHFFFAOYSA-N 321.373 3.574 0 40 DHAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1 5903787 VGHHKFBXYSSIOB-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB CSc1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1 6608338 JCKMEHMBZZKSLN-UHFFFAOYSA-N 316.813 3.820 0 40 DHAB Cc1nc2ccc(NC(=S)NCc3ccco3)cc2s1 7560229 QQQYYYQXQZLDFJ-UHFFFAOYSA-N 303.412 3.684 0 40 DHAB Cc1noc(C)c1C(=O)NCCC12CC3CC(CC(C3)C1)C2 7814816 HHWOXSNSYBHMEL-UHFFFAOYSA-N 302.418 3.628 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(N3CCCC3)c(C)c2)cc1 8027178 DPABIHDNTJNART-UHFFFAOYSA-N 324.424 3.785 0 40 DHAB COc1ccc(O[C@@H](C)C(=O)Nc2cnc3ccccc3c2)cc1 12606379 QEUYMNLUUMDWCU-ZDUSSCGKSA-N 322.364 3.649 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1F 12924196 ALJKDRWYVNUOGO-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB CCCc1ccc(NC(=O)C[C@H](C(=O)O)c2ccccc2)cc1 13249125 GPJIJSPPZGTVIV-KRWDZBQOSA-N 311.381 3.836 0 40 DHAB CCc1nn2c(NC)cc(C)nc2c1-c1ccc(Cl)cc1 13692901 MAKJBUPCNPJTHG-UHFFFAOYSA-N 300.793 3.962 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1noc2c1C[C@@H](C)CC2 20572108 QHNTUSDIPOJZNM-VIFPVBQESA-N 320.776 3.714 0 40 DHAB CC(=O)c1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 21820987 RQVYKXSYBIYJLL-UHFFFAOYSA-N 318.394 3.780 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)cc1 22523606 HZNWJCTVULMTLV-INIZCTEOSA-N 303.333 3.630 0 40 DHAB C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 23192162 HQXXYKZUNQURMY-NSHDSACASA-N 303.793 3.745 0 40 DHAB CCc1ccc(C(=O)NC2(c3noc(C)n3)CCCCC2)cc1 24838046 JQPNHQRKWXTREE-UHFFFAOYSA-N 313.401 3.530 0 40 DHAB Cc1ccc(-c2nsc(NC(=O)Cc3ccccc3)n2)cc1 27991557 FDMWSZZHRDADBJ-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB c1ccc(Cc2noc(CSc3ncc4ccccn34)n2)cc1 31651937 WKTOBENMDQCWOJ-UHFFFAOYSA-N 322.393 3.600 0 40 DHAB COc1ccc(CNc2ncnc3ccc(C)cc23)cc1OC 32540864 SMFBIPPLTAJQBN-UHFFFAOYSA-N 309.369 3.568 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN(C(C)C)C(C)C)c1 32594535 YRIJERDLQWQKAS-KRWDZBQOSA-N 307.478 3.977 0 40 DHAB O=C(OC[C@@H]1CCCO1)c1cc(-c2ccco2)nc2ccccc12 32666408 WZDHJNUZGVOXMU-ZDUSSCGKSA-N 323.348 3.831 0 40 DHAB COc1cccc(COC(=O)c2ccc(Cl)cc2F)c1OC 32768258 GTPXVZYCNVPPGN-UHFFFAOYSA-N 324.735 3.853 0 40 DHAB c1ccc(NC2(c3nnnn3-c3ccccc3)CCCC2)cc1 35622739 ZQXAFTISYPLTQU-UHFFFAOYSA-N 305.385 3.544 0 40 DHAB Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@@H](C)C2)s1 36047909 JUCCQOFXCPGYHH-LLVKDONJSA-N 320.483 3.981 0 40 DHAB O=C(NCc1cc(-c2cccs2)on1)c1cc2ccccc2[nH]1 36662417 DRAAWNHCLUKBGA-UHFFFAOYSA-N 323.377 3.814 0 40 DHAB CCCCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 39751114 YXDGXLIQTZSSCS-UHFFFAOYSA-N 302.462 3.513 0 40 DHAB CC(=O)c1cccc(NC(=O)NCCSC2CCCC2)c1 40097416 BXIDCAUZHAMHEQ-UHFFFAOYSA-N 306.431 3.687 0 40 DHAB Clc1cc(Br)ccc1OCCC1CCNCC1 42772248 DRANEWJBBFKQHG-UHFFFAOYSA-N 318.642 3.871 0 40 DHAB CCN(Cc1coc(-c2ccc(Cl)cc2)n1)C[C@H]1CCOC1 52072322 RPNPFLFUXJHQLK-CYBMUJFWSA-N 320.820 3.853 0 40 DHAB Cc1occc1CN(C)C(=O)CCc1ncc(-c2ccccc2)o1 55463204 KOLWDLKKFNWZNK-UHFFFAOYSA-N 324.380 3.834 0 40 DHAB COCc1cccc(NC(=O)NCC2(c3ccccc3)CC2)c1 58058562 WEYNRAYVTQEOCO-UHFFFAOYSA-N 310.397 3.686 0 40 DHAB O=C(Cc1noc2ccccc12)N(Cc1ccsc1)C1CC1 58305396 CDDBBOHTVDRYIZ-UHFFFAOYSA-N 312.394 3.623 0 40 DHAB CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccccc1Cl 58341127 YPEHCHSRKAHBAU-UHFFFAOYSA-N 311.809 3.534 0 40 DHAB C[C@@H](c1ccccc1)N1Cc2cc(Cl)ccc2OCC1=O 65184393 FGWKOSJAXMHNJF-LBPRGKRZSA-N 301.773 3.822 0 40 DHAB Cc1cccnc1[C@@H](C)Nc1nccc(CCC(F)(F)F)n1 71523752 VFZOEKHHWUJZNF-LLVKDONJSA-N 310.323 3.848 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)c2c(C)nn(C)c2C)cc1 71844116 FJIDESXTJVLDPG-CHWSQXEVSA-N 313.445 3.580 0 40 DHAB CC(C)Oc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)cc1 74715245 SAZFNYBDRVWUSZ-MRXNPFEDSA-N 324.380 3.538 0 40 DHAB CO[C@H](CNCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 75093172 GXGAQDKYZBPIHG-GOSISDBHSA-N 307.397 3.554 0 40 DHAB Cc1cccnc1[C@@H](NC(=O)CCc1ccsc1)C(C)C 79358242 HSVCQJMDCSDNRI-INIZCTEOSA-N 302.443 3.898 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1C[C@H]1c1ccco1 84027058 PGKPBUTYNWOXTB-ZIAGYGMSSA-N 323.348 3.599 0 40 DHAB COc1ccc(SCC2CCN(C(=O)NC(C)C)CC2)cc1 85472352 DEKJMMOHOVKKBI-UHFFFAOYSA-N 322.474 3.617 0 40 DHAB CCN(C)C[C@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 93770130 KBMKXLFWABCUFM-CQSZACIVSA-N 307.507 3.574 0 40 DHAB COc1ccc(-c2csc(N3CCCCCC3)n2)cc1N 95097248 GNSOKVIQVVZRRQ-UHFFFAOYSA-N 303.431 3.781 0 40 DHAB Cc1cccc(N2CCC(N[C@H](C)c3cccs3)CC2)n1 95422610 GXXWZGVNHZLTBV-CQSZACIVSA-N 301.459 3.771 0 40 DHAB Cc1ncsc1CNc1ccccc1N1C[C@@H](C)O[C@H](C)C1 95448628 DSPZKZWXIBFSFV-CHWSQXEVSA-N 317.458 3.677 0 40 DHAB CN(C)C(=O)c1csc(-c2csc(CC(F)(F)F)n2)c1 95963480 QXSDFDGVLUVKNK-UHFFFAOYSA-N 320.361 3.678 0 40 DHAB Cc1ccc(CN2CCC3(CC2)CN(C)Cc2ccccc23)o1 96242597 FPDQNKTUFNBEGT-UHFFFAOYSA-N 310.441 3.567 0 40 DHAB O=C(NCc1coc(-c2ccccc2)n1)c1ccc2cc[nH]c2c1 96423229 QVWJZDAFEQJBGR-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB COc1cc(C)c(NC(=O)c2cnc(C(C)C)s2)cc1OC 96483196 XKUYOEDXVMKSBD-UHFFFAOYSA-N 320.414 3.844 0 40 DHAB c1csc(-c2nc(CN3CCC(c4cn[nH]c4)CC3)co2)c1 97202947 QROQQDZXZIXUJF-UHFFFAOYSA-N 314.414 3.506 0 40 DHAB C=C(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 116886405 REUUSACAXHHFKN-SFHVURJKSA-N 323.392 3.669 0 40 DHAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(F)cc2)cc1C 223378910 RHKPVMASNIXRON-UXBLZVDNSA-N 313.372 3.651 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccc(C)cc2C)c(C)c1 225168708 YNIYWCLUZPXZQY-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB O=C(Nc1ccccc1F)c1ccc2c(c1)OCC1(CC1)CO2 225364674 NQXFCYNKOZNRHO-UHFFFAOYSA-N 313.328 3.629 0 40 DHAB CCOC(=O)c1cccc(NC(=S)NCCC(C)C)c1C 225380451 VENPJIFMOSBWAR-UHFFFAOYSA-N 308.447 3.504 0 40 DHAB C[C@H]1CCCN(c2c(Cl)cc(N)cc2Br)C1 226316470 JELVUIUEUODBKH-QMMMGPOBSA-N 303.631 3.921 0 40 DHAB CC1CCN(C[C@H](O)CCO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 253531681 VKHVDMQUWAJNHZ-SOAMZJECSA-N 323.521 3.701 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(C(=O)O)cc2C)cc1 408586774 QRDWEEMPKBZJED-UHFFFAOYSA-N 316.382 3.511 0 40 DHAB O=C(COc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 575243196 XELJWMMASHYUJN-UHFFFAOYSA-N 302.198 3.644 0 40 DHAB Cc1cc(C)n(-c2nccnc2Sc2cccc(F)c2)n1 2087043996 KSJLKWQCGRYFQV-UHFFFAOYSA-N 300.362 3.569 0 40 DHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc(F)c1 527669 CVESGQWAPMFYMU-UHFFFAOYSA-N 320.323 3.578 0 40 DHAB CC1(C)CC(=O)C[C@H](c2ccccc2)[C@@H]1NC(=O)c1ccccc1 1442021 KEHRRJFPXNWJJN-MOPGFXCFSA-N 321.420 3.958 0 40 DHAB C[C@@H]1CN(C2CCCCC2)C(=S)N(c2ccccc2)C1=O 1681197 MLIFUZZNOTYGEZ-CYBMUJFWSA-N 302.443 3.589 0 40 DHAB C=Cc1cc[n+](Cc2ccc(C[n+]3ccc(C=C)cc3)cc2)cc1 1703761 KLGUKOLJDYEKMP-UHFFFAOYSA-N 314.432 3.644 0 40 DHAB C[C@@H](COc1ccccc1Cl)OC(=O)Cc1ccccc1 2046292 GJHDKNPMGVUYHC-ZDUSSCGKSA-N 304.773 3.893 0 40 DHAB COc1ccc(/C=C/C(=O)NCCc2cccc(Cl)c2)cc1 2738755 ATXXBRDETMDMJF-JXMROGBWSA-N 315.800 3.721 0 40 DHAB Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1Cc1ccco1 2911464 LZPMXPYRUNTKHQ-UHFFFAOYSA-N 324.409 3.963 0 40 DHAB COC(=O)Nc1sc2nc(C)cc(C)c2c1-n1cccc1 4052800 WZBDDRVFHBXSDY-UHFFFAOYSA-N 301.371 3.882 0 40 DHAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(F)cc2)cc1 5938952 IJPQIGQINZJOEM-NSHDSACASA-N 301.317 3.702 0 40 DHAB Clc1ccc(CSc2nc(-c3ccncc3)n[nH]2)cc1 5996938 OTAZVDJVZRRSKT-UHFFFAOYSA-N 302.790 3.812 0 40 DHAB Brc1cccc(CSc2nnc3ccccn23)c1 6170992 RSCCNGQEFDTXDM-UHFFFAOYSA-N 320.215 3.784 0 40 DHAB CCCN(CCC)C[C@H](O)c1cnc(-c2ccccc2)nc1C 6380168 FFTSSWMLROJZSY-SFHVURJKSA-N 313.445 3.607 0 40 DHAB CCOC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 6609699 QZVSYKWQDMGFNI-UHFFFAOYSA-N 323.443 3.554 0 40 DHAB COc1ccccc1-c1noc(CSc2nc(C)cs2)n1 7293878 MXDUBGYIZIJVJB-UHFFFAOYSA-N 319.411 3.802 0 40 DHAB O=C(Nc1ccc2ncsc2c1)c1cc2ccccc2oc1=O 9471992 MNDDNYQQGMYEHN-UHFFFAOYSA-N 322.345 3.655 0 40 DHAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 10110581 RCNYJHVOTBCSIV-HNNXBMFYSA-N 315.388 3.650 0 40 DHAB O=C(Nc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12573717 ZNMKHZKGYIIHIZ-INIZCTEOSA-N 306.369 3.932 0 40 DHAB Cc1ccc(O)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1 12623424 JGRIPRPWCODWKP-UHFFFAOYSA-N 309.287 3.649 0 40 DHAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1Cl 12892371 QMRGSJNCIFOKQB-UHFFFAOYSA-N 321.829 3.790 0 40 DHAB COc1cc(NC(=O)c2ccc(Cl)cc2F)cc(OC)c1 14167984 ZKUHPUBIINUAMZ-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1 15421536 UTUAJKBVMVMPNU-GFCCVEGCSA-N 314.410 3.764 0 40 DHAB CCCCNc1nc(Nc2ccc(C)cc2C)c2cnn(C)c2n1 17270446 WFBFZOGZMATOBG-UHFFFAOYSA-N 324.432 3.936 0 40 DHAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc(C3CC3)n[nH]2)c1 21736696 DAYFOQVLZPYHKJ-NSHDSACASA-N 301.415 3.662 0 40 DHAB Cc1noc(C(C)C)c1C(=O)Nc1cccc(-c2ccn[nH]2)c1 24887045 IQUDRFNBGMMLKS-UHFFFAOYSA-N 310.357 3.749 0 40 DHAB CN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 26295942 NCVPGPFCMOECBL-ZIAGYGMSSA-N 314.351 3.949 0 40 DHAB CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(F)c2F)s1 27926270 VHCRQLZEHJMUHW-UHFFFAOYSA-N 324.352 3.501 0 40 DHAB Cc1ccc2[nH]c(C)c(CC(=O)NCCc3cccs3)c2c1 29004592 QUCKNGKSHYZBSP-UHFFFAOYSA-N 312.438 3.748 0 40 DHAB Cc1nnc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 30570593 CBCGKXQOARUFOL-UHFFFAOYSA-N 307.378 3.670 0 40 DHAB Cc1cc(C)c(NC(=O)CNc2cnc3ccccc3n2)c(C)c1 30599161 SGOWJWJYWQIMLL-UHFFFAOYSA-N 320.396 3.606 0 40 DHAB O=S(=O)(C/C=C/c1ccccc1)Cc1cccc(Cl)c1 40060003 NXRUJRVAWGYTEV-WEVVVXLNSA-N 306.814 3.968 0 40 DHAB Cc1cc([C@H](C)NC(=O)Nc2nnc(C3CC3)s2)c(C)s1 40103202 MCYSQNZOOPYDKF-QMMMGPOBSA-N 322.459 3.977 0 40 DHAB CCc1noc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 48303117 NRLKGHCAZUFCGL-GOSISDBHSA-N 319.408 3.780 0 40 DHAB Cc1ccccc1CCN1CCOc2nc3ccccc3cc2C1 57719216 DUPARCKIQOGAMG-UHFFFAOYSA-N 318.420 3.980 0 40 DHAB Cc1c(O)ccc2c(CN[C@@H](C)c3ccccc3)cc(=O)oc12 58051734 YOTAFTJHHXGLJD-ZDUSSCGKSA-N 309.365 3.658 0 40 DHAB O=C(NC1CCSCC1)c1cc(-c2cccc(Cl)c2)no1 60337803 BVIIPSPMIMVWKQ-UHFFFAOYSA-N 322.817 3.620 0 40 DHAB O=Cc1ccc(OCc2cc(F)ccc2Br)cc1 60800632 XYMGUHQHRASCRV-UHFFFAOYSA-N 309.134 3.980 0 40 DHAB Cc1ccsc1-c1nn2c(-c3ccsc3)nnc2s1 66087708 FNTABOHYOLOWRM-UHFFFAOYSA-N 304.425 3.951 0 40 DHAB O=C(NCCC1=CCCCC1)NCc1ccc(-c2ccn[nH]2)cc1 71798589 RDOCGCDXDIQIPA-UHFFFAOYSA-N 324.428 3.766 0 40 DHAB O=C(NC1(c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1c1cccnc1 71899814 VRNYYFAOXFIDEJ-JKSUJKDBSA-N 312.800 3.644 0 40 DHAB Cc1cccnc1[C@H](NC(=O)N[C@@H](C)c1nccs1)C(C)C 71909200 LEOLYXGGTQYLNM-QWHCGFSZSA-N 318.446 3.604 0 40 DHAB O=S(=O)(Oc1ccc(C2CCCCC2)cc1)c1cccnc1 72002430 OMEBBVWUBCIPMT-UHFFFAOYSA-N 317.410 3.897 0 40 DHAB CCOc1ccccc1NC(=O)N[C@@](C)(CO)C1CCCCC1 75094184 IXPSATKJRQMRKC-SFHVURJKSA-N 320.433 3.538 0 40 DHAB CC(=O)c1c(F)cc(F)cc1OCCOc1ccc(F)cc1 75105894 BGKWESNNZIGRDF-UHFFFAOYSA-N 310.271 3.764 0 40 DHAB COc1ccc(CC(=O)Nc2ccc3[nH]c(C4CC4)nc3c2)cc1 79478844 KMKOQZWNHONCJY-UHFFFAOYSA-N 321.380 3.630 0 40 DHAB OCCCc1nc2cccc(Cl)c2n1Cc1ccccc1 95095683 HBFFGHSGKXSPKK-UHFFFAOYSA-N 300.789 3.663 0 40 DHAB COc1ccc(OC(C)C)c(NCc2nnsc2Cl)c1 95410497 LSTVLXXWGZOYOO-UHFFFAOYSA-N 313.810 3.599 0 40 DHAB CCC(CC)(NC(=O)[C@H]1CCCOC1)c1ccc(Cl)cc1 95946641 URPQNBJRCYNYQV-ZDUSSCGKSA-N 309.837 3.898 0 40 DHAB CCc1ccc(C(=O)Nc2ncc(C)cc2Br)o1 95973913 QYZRXBRUEMPDAT-UHFFFAOYSA-N 309.163 3.560 0 40 DHAB Cc1ccc(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 97038098 MCOFXFMVLRHBEU-ZDUSSCGKSA-N 310.401 3.847 0 40 DHAB CCC[C@@H]1SCCN1C(=O)c1cnc(-c2cccnc2)s1 97230115 MUSCZVQLCMYEPQ-ZDUSSCGKSA-N 319.455 3.520 0 40 DHAB Cn1/c(=N/C(=O)c2cccs2)sc2cc(Cl)ccc21 100815591 SKPSIZAEQCBRIM-SQFISAMPSA-N 308.815 3.696 0 40 DHAB CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccsc1 105577194 HIKUSLVWRQFMIX-NXNVCVFFSA-N 320.502 3.683 0 40 DHAB CC[C@@H](C)N(C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 106532050 UPGMDYHXTQQDAH-HZPDHXFCSA-N 304.478 3.793 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)CSC[C@H]1CCCCO1 171382596 JWBCVMWQWOFFBU-CHWSQXEVSA-N 313.488 3.570 0 40 DHAB OCc1ccc2oc(-c3ccccc3Br)nc2c1 216796042 XOAGPJFFVQIIML-UHFFFAOYSA-N 304.143 3.750 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1 224398095 COAQJKBBYIRSFX-HNNXBMFYSA-N 317.454 3.738 0 40 DHAB COc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1F 225391731 BIFNFPHCHFKKHC-UHFFFAOYSA-N 303.333 3.874 0 40 DHAB CCCCOc1ncc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225883445 JBCAGBIYWGOMOW-SFHVURJKSA-N 322.449 3.959 0 40 DHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC)nc1C 225905670 HUNLOKCDFOPQCS-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CCOC(=O)C1=C(C)N=C(SC(C)C)N[C@H]1c1ccccc1 408987128 DOIKNWAYUHSBTR-HNNXBMFYSA-N 318.442 3.666 0 40 DHAB O[C@H](Cn1nncc1-c1cccc(Cl)c1)C1CCCCC1 642813726 LHQSLWFXZINMTN-MRXNPFEDSA-N 305.809 3.540 0 40 DHAB CCc1ccc(C(=O)N2CCC[C@@H](COc3ccncc3)C2)cc1 1775972340 XMZBDUCRLYNIGH-QGZVFWFLSA-N 324.424 3.575 0 40 DHAB CCCCN(C)Cc1c(C)nc2ccc(OCC)cc2c1O 8584352 PRQBRKQUPBQXIS-UHFFFAOYSA-N 302.418 3.879 0 40 DHAB aggregator COc1ccc(C(=O)Nc2cccc(SC)c2)cc1OC 363345 PUZYAZRHZMFTDJ-UHFFFAOYSA-N 303.383 3.678 0 40 DHAB CCc1nc2sc3c(c2c2nnc(SC)n12)CC[C@H](C)C3 413750 CCBYFYYIYGCHTR-QMMMGPOBSA-N 318.471 3.748 0 40 DHAB O=C(CCn1nnc2ccccc21)Nc1cccc2ccccc12 419379 FIBOYQVNVVHYBL-UHFFFAOYSA-N 316.364 3.613 0 40 DHAB CCC(C)(C)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 32904820 CFIYMURPCVWNEW-UHFFFAOYSA-N 301.430 3.833 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(F)cc1Cl 32931286 XNHJQEKZJREILV-ABAIWWIYSA-N 313.800 3.804 0 40 DHAB Cc1nc([C@H](C)NC(=O)N[C@H]2CCc3ccc(F)cc32)cs1 71886662 MANMHWQHRAOYCO-XPTSAGLGSA-N 319.405 3.638 0 40 DHAB CC(C)CN(CC(C)C)CC(O)CN(CC(C)C)CC(C)C 1667345 GEGIFYWYTWIGPF-UHFFFAOYSA-N 314.558 3.575 0 40 DHAB Cc1cc(OC(C)C)cc(C)c1C(=O)OC[C@@H](C)N1CCCC1 1712572 BRBLEMUGJBOMCV-MRXNPFEDSA-N 319.445 3.732 0 40 DHAB CCOC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 4301304 XUCBUVYVYSGRRX-BQFCYCMXSA-N 321.392 3.650 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 6314256 OMKRWOZIQSXSIG-AWEZNQCLSA-N 321.417 3.790 0 40 DHAB Cc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccc(F)cc2)C(=O)N1 101085252 OWLCXSOAPCDYRZ-QAPCUYQASA-N 312.344 3.904 0 40 DHAB CC(C)CO[C@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 42404532 NGQCWBBZVZDMET-CYBMUJFWSA-N 320.433 3.671 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)c1nsc2ccccc12 8610351 LDEKXTICGMAENE-UHFFFAOYSA-N 312.350 3.555 0 40 DHAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 3196027 FNPVFOCEIIRAID-GFCCVEGCSA-N 317.772 3.832 0 40 DHAB Cc1nc2ccc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2nc1C 104819796 IUTJHJBPCCEXOB-QBYUYEEZSA-N 323.440 3.801 0 40 DHAB C[C@@H]1CCCCN1C(=O)/C=C/c1cccc(Br)c1 59843237 KUBVKBHLTYWJLO-IDVQTMNDSA-N 308.219 3.863 0 40 DHAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCCCCC1 57413329 RUDGIYCBKOABSN-UHFFFAOYSA-N 303.793 3.746 0 40 DHAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc(Cl)cc1 1288160 XPPXMNXLYFMXCK-BQYQJAHWSA-N 321.785 3.597 0 40 DHAB CCOc1ccc(SCc2nc([C@@H](C)OCC)no2)cc1 71909259 GOGSBQKRWCYOSW-LLVKDONJSA-N 308.403 3.858 0 40 DHAB C[C@H]1CCCN(C(=O)CSc2nc3cc(Cl)ccc3o2)C1 3228404 LFJQOMDIEIVILI-JTQLQIEISA-N 324.833 3.832 0 40 DHAB Cc1cc(C[S@](=O)Cc2csc(C3CCCCC3)n2)no1 69810102 VJBDJXWCXRXHQB-OAQYLSRUSA-N 324.471 3.936 0 40 DHAB COc1ccc2c(CN[C@@H]3CCC[C@H](C)[C@H]3C)cc(=O)oc2c1 35288685 CTFXTOYBBHKMCQ-OGHNNQOOSA-N 315.413 3.716 0 40 DHAB CC(C)[C@H]1CC[C@H](C)CCN1C(=O)NCC(C)(C)C[C@H](C)O 108352721 NAEPIJMVZPNQQA-HRCADAONSA-N 312.498 3.640 0 40 DHAB Cc1sc2nc(-c3ccc(OC(F)F)cc3)[nH]c(=O)c2c1C 3331400 OGRAGJMEXSOFFD-UHFFFAOYSA-N 322.336 3.870 0 40 DHAB CCc1nc(NC(=O)CCc2ccc(OC)cc2)sc1C 44701553 HRSFSTVTXUUKGG-UHFFFAOYSA-N 304.415 3.594 0 40 DHAB CCc1nnsc1C(=O)Nc1ccccc1SC(F)F 58196832 FXQAXMPNAOYAOH-UHFFFAOYSA-N 315.370 3.668 0 40 DHAB O=C1S/C(=C/c2cccs2)C(=O)N1c1ccc(O)cc1 2368066 XHGSYSGXPTZEBG-XYOKQWHBSA-N 303.364 3.695 0 40 DHAB c1ccc(Cc2noc(CN3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 46054560 UXIXVELMXUZARP-IRXDYDNUSA-N 311.429 3.815 0 40 DHAB Cc1c(C(=O)CSc2nnc(N)s2)sc2ccccc12 8705815 PWJUYUACZJBXHN-UHFFFAOYSA-N 321.452 3.618 0 40 DHAB C[C@H](NS(=O)(=O)c1ccccc1F)c1ccccc1Cl 3406355 WIJATPUDWQGCMX-JTQLQIEISA-N 313.781 3.519 0 40 DHAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CC=CCC1 13006004 FUPFFSFXYBTXAK-OLZOCXBDSA-N 319.426 3.635 0 40 DHAB O=C(/C=C/c1cccs1)Nc1nc(-c2ccccn2)cs1 4059125 ZIUQIINODRFTPI-VOTSOKGWSA-N 313.407 3.919 0 40 DHAB CCc1nc(CN(C)C(=O)C[C@@H](C)c2ccccc2F)cs1 71184943 AKGHXGIUJKZLQH-GFCCVEGCSA-N 320.433 3.997 0 40 DHAB CC[C@@H](C)NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 5428843 KYCDPAYWUNSECA-MRVPVSSYSA-N 323.487 3.623 0 40 DHAB O=C1/C(=C/c2c(O)ccc3ccccc23)N=C2CCCCCN12 21487146 NBOPCHRUQZRXAN-VBKFSLOCSA-N 306.365 3.701 0 40 DHAB CCOc1ccccc1/C=C1/SC(=O)N([C@@H](C)CC)C1=O 4704838 BYOQBLJKPNKVSF-IWQAVIMZSA-N 305.399 3.920 0 40 DHAB C[C@H](CN(C)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1nccs1 96010958 SBHQWNFSTZFLJP-VHDGCEQUSA-N 321.490 3.857 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1Cc1ccc(Cl)cc1 65184387 DTKNAQLARUDQIN-UHFFFAOYSA-N 322.191 3.915 0 40 DHAB O=C(Nc1ccc(OC(=O)C2CC2)cc1)c1ccccc1Cl 15597520 ATLMCNMPNMJSFK-UHFFFAOYSA-N 315.756 3.908 0 40 DHAB CCCc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 7981360 SUYXZJOEQFRFMF-UHFFFAOYSA-N 315.320 3.762 0 40 DHAB COc1cccc(NC(=O)CN[C@H](c2ccccc2)C(C)C)c1 8002554 XYPNRQTYPWKMEW-IBGZPJMESA-N 312.413 3.621 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCC(=O)N2 9499489 KFMXJZCJLLUTTM-UHFFFAOYSA-N 314.772 3.785 0 40 DHAB CC(C)N1CC[C@@H](SCc2ncc(-c3cccs3)o2)C1=O 97011151 PESZLSZKTKSWSI-CYBMUJFWSA-N 322.455 3.646 0 40 DHAB O=C(CCCc1ccccn1)N1CCCC[C@H]1c1nccs1 72285866 HYXUFWPWLVJLCF-HNNXBMFYSA-N 315.442 3.615 0 40 DHAB COc1cccc(CNC(=O)/C=C/c2ccnc3ccccc23)c1 72287236 MLQQVJYRSGDUMV-MDZDMXLPSA-N 318.376 3.573 0 40 DHAB Cc1cccc(N(C)CCCS(=O)(=O)c2ccccc2)c1C 89686468 RNDMESMWCYMKMQ-UHFFFAOYSA-N 317.454 3.604 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)c1 32109883 OJFXQKVYFHRGRT-JSGCOSHPSA-N 305.418 3.648 0 40 DHAB CCOC(=O)[C@@H]1CC[C@](C)(C(=O)Oc2ccccc2)C1(C)C 3845991 XCRWGOGPEPOQEN-KBXCAEBGSA-N 304.386 3.598 0 40 DHAB biogenic COc1ccc(C[S@](=O)[C@@H](C)c2ccccc2F)cc1F 78556196 UWPGOQDMEPMPST-WIUDPPPLSA-N 310.365 3.983 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(Cl)c2)cc1 78578936 PHIZNJKSODZPPH-ZDUSSCGKSA-N 303.789 3.846 0 40 DHAB O=C(c1cc2ccccc2s1)N1[C@H]2CC[C@H]1c1cncnc1C2 225674275 RMKLJNFQGCJQDC-WFASDCNBSA-N 321.405 3.593 0 40 DHAB CC[C@@H](C(=O)OC)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223201020 HSEWCIMDIAEQOE-JSGCOSHPSA-N 305.418 3.739 0 40 DHAB CN(C)C(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127532 MVIXPBIUALQPNB-UHFFFAOYSA-N 300.745 3.850 0 40 DHAB Cc1sc2ncnc(NC[C@@H](C)N3CCC[C@@H](C)C3)c2c1C 227886696 PDLMYBBSGDMRDG-VXGBXAGGSA-N 318.490 3.840 0 40 DHAB CCOc1ccc(CNC(=O)Cc2ccc(Cl)cc2F)cc1 224739944 HEKCQNYAOQHNOT-UHFFFAOYSA-N 321.779 3.737 0 40 DHAB Cc1ccccc1OCCNC(=O)c1cc(Cl)ccc1F 40156962 MTEMXANUCUZRHS-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB Cc1cc2cc(CN[C@@H]3CCCC[C@@H]3C(=O)O)oc2cc1C 572483761 QVAWPRGSEXPNEP-JKSUJKDBSA-N 301.386 3.783 0 40 DHAB CCOc1ccc([C@@H](O)c2cccc(Br)c2)cc1 40244583 RLWCDAYMVRGYBZ-OAHLLOKOSA-N 307.187 3.930 0 40 DHAB CC(C)(C)NC(=S)Nc1ncc(Br)cc1Cl 223880063 DVZWZWGVDVQQCZ-UHFFFAOYSA-N 322.659 3.582 0 40 DHAB Cc1ccc(-c2nc3c(N)nc(-c4ccc(F)cc4)nc3o2)cc1 94992887 SGHICHXUCNQHHD-UHFFFAOYSA-N 320.327 3.982 0 40 DHAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccnc(C(F)(F)F)c1 330033226 XUHUSXGRWPJJND-CYBMUJFWSA-N 324.350 3.792 0 40 DHAB CCN(C)c1ccccc1NC(=O)NCc1sc(C)nc1C 96434905 OSMQGJYMPFGDAQ-UHFFFAOYSA-N 318.446 3.538 0 40 DHAB C[Si](C)(C)C(F)(F)C(F)(F)S(=O)(=O)c1ccccc1 231493353 MQZIKRGVDVGNSG-UHFFFAOYSA-N 314.376 3.566 0 40 DHAB O=C(CCc1ccncc1)NCC1(c2cccc(Cl)c2)CC1 96417129 YAESONPCSRDBAG-UHFFFAOYSA-N 314.816 3.516 0 40 DHAB O=C(c1ccnc(Cc2ccccc2)c1)N1CCC(F)(F)CC1 257210801 BWFSVZURQAQMLP-UHFFFAOYSA-N 316.351 3.544 0 40 DHAB Cc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260786430 XAPLNVBISUDYAE-KBRIMQKVSA-N 309.438 3.979 0 40 DHAB Cc1csc([C@H](C)NC(=O)NCc2ccc3occc3c2)n1 660554673 KWUCAINATVHZOT-NSHDSACASA-N 315.398 3.758 0 40 DHAB O=C(OCC1CC1)c1nc(-c2ccccc2)n2c1CCCCC2 52745276 PUEIXXXWRLLIGF-UHFFFAOYSA-N 310.397 3.843 0 40 DHAB CSc1ccccc1NS(=O)(=O)c1ccc(F)cc1C 225593863 MQVDBCPMYDCVKN-UHFFFAOYSA-N 311.403 3.657 0 40 DHAB Cc1cc(OCC(=O)NC[C@@H](C)c2ccccc2)ccc1Cl 5779115 QPGRZCXPWGVHTN-CQSZACIVSA-N 317.816 3.947 0 40 DHAB COc1cccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)c1 12566066 NGBAXZSLFRBCSF-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 12746305 SQTFIGYMCQPMPV-CYBMUJFWSA-N 302.805 3.943 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1C 15366680 YAMQUNVPHJAOOK-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB Cc1cccc(C)c1NC(=O)C1(c2ccccc2)CCOCC1 16985179 ORKUCLOJTYOOJA-UHFFFAOYSA-N 309.409 3.990 0 40 DHAB FC(F)(F)c1ccnc(NCCc2c[nH]c3ccccc23)n1 24052790 BNYQLWLHQIHIRS-UHFFFAOYSA-N 306.291 3.631 0 40 DHAB CSc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 4517577 WWUUBLDXOSKGOI-UHFFFAOYSA-N 304.440 3.996 0 40 DHAB Cc1ccc(-n2nnc(C(=O)OCc3ccccc3)c2C)cc1C 12415842 PWNKVJZZKFVXFD-UHFFFAOYSA-N 321.380 3.550 0 40 DHAB CCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1 4898327 KEKOKLAURFTAEA-UHFFFAOYSA-N 316.358 3.572 0 40 DHAB CCCCCC[C@H](C)NC(=O)c1cc(C)nc2onc(C)c12 31101299 GTTFVCNFRSPJLP-NSHDSACASA-N 303.406 3.928 0 40 DHAB CCCCCC[C@]1(C)Nc2ccccc2-c2nc(=O)c(C)nn21 102112608 DKRAWZXUGLDJJP-GOSISDBHSA-N 312.417 3.682 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccccc2C(=O)O)c(Cl)c1 71247 KBHIZMSXCGXNID-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB CC1=NN(C(=S)c2ccc(C)cc2)[C@@](C)(O)[C@@H]1CC(C)C 133936 MXJQIHAUIOISPO-WBVHZDCISA-N 304.459 3.733 0 40 DHAB CCN(CC)c1ccc(NC(=S)NC(=O)CC(C)C)c(C)c1 568412 WRODUSFVZXUVLK-UHFFFAOYSA-N 321.490 3.700 0 40 DHAB CCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 1134649 QKEFASJJOCKTFP-YFHOEESVSA-N 312.188 3.505 0 40 DHAB Cc1cccc(CSC2=CS(=O)(=O)c3ccccc3N2)c1 1406151 QZJIWOVUYKHSIM-UHFFFAOYSA-N 317.435 3.927 0 40 DHAB O=C(c1cccc(CN2CCC2)c1)c1ccc(Cl)c(F)c1 2515128 UXAXXFCHXQSSGN-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB O=C(Nc1nncs1)c1sc2cc(F)ccc2c1Cl 3203313 VKMPFFZFOHRXIM-UHFFFAOYSA-N 313.766 3.798 0 40 DHAB O=C(O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 3749249 MGKKCIYYJMVVMC-INIZCTEOSA-N 311.381 3.776 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CSc2ccccc2C)cc1 4031963 RZAJQWRSPTZJDT-UHFFFAOYSA-N 314.410 3.684 0 40 DHAB Cc1cc(C)c(NC(=O)C(=O)c2c[nH]c3ccccc23)c(C)c1 4163262 NHXITAAKSMTSQT-UHFFFAOYSA-N 306.365 3.915 0 40 DHAB CCOc1ccc([C@@H]2CC(c3cccs3)=NN2C(C)=O)cc1 4317909 GOSKNFHXBINBND-INIZCTEOSA-N 314.410 3.844 0 40 DHAB CC1(C)CC(NC(=O)/C=C/c2ccccc2Cl)CC(C)(C)N1 4681290 KDUARIDABRJROZ-MDZDMXLPSA-N 320.864 3.779 0 40 DHAB Cc1cccc2c1C(C)(C)[C@@]1(C)NC(=O)c3ccccc3CN21 5337844 IJSZHRJBWHKVDF-FQEVSTJZSA-N 306.409 3.752 0 40 DHAB CC1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 5937311 ZNAXFPGFHGQIIL-UHFFFAOYSA-N 310.235 3.687 0 40 DHAB CC[C@H](C)NC(=O)CCc1nc2ccccc2n1-c1ccccc1 6314014 SZLMPFLFYNYMMC-HNNXBMFYSA-N 321.424 3.873 0 40 DHAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 6880654 IUNMEJTVZRKJBZ-CABCVRRESA-N 301.386 3.590 0 40 DHAB O=C(O)CCS[C@H](C(=O)c1ccccc1)c1ccccc1 6927639 CANFKVBSHXGYOR-KRWDZBQOSA-N 300.379 3.819 0 40 DHAB CCOc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)O 6961000 UZVNUYLNPWZQGI-YBFXNURJSA-N 313.353 3.608 0 40 DHAB Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1 7725732 WWLBAYXPBKNUSJ-UHFFFAOYSA-N 324.380 3.822 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)nc2ccccc12)c1ccccn1 7986877 FUQGOWUQIKCWBZ-NSHDSACASA-N 311.772 3.774 0 40 DHAB Cc1cc2nnc(SCc3ccccn3)n2c2ccccc12 8747006 IWGDCEPZYWVYOK-UHFFFAOYSA-N 306.394 3.878 0 40 DHAB CNc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 8843992 FMBSDRZAYCQPAO-UHFFFAOYSA-N 306.291 3.765 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1c[nH]c2ccccc12 8849369 NISXUQMIHYTESL-UHFFFAOYSA-N 319.364 3.547 0 40 DHAB O=C1c2ccccc2N[C@@H](c2cccnc2)N1c1ccc(F)cc1 9157424 KOSJCQGVANJJAR-GOSISDBHSA-N 319.339 3.992 0 40 DHAB CC(=O)c1sc(NC(=O)Cc2ccc(Cl)s2)nc1C 10060930 VJDDOEMWNVVHOY-UHFFFAOYSA-N 314.819 3.550 0 40 DHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccccc1Cl 13596447 JRAQDIJVAZWBOR-LBPRGKRZSA-N 321.829 3.621 0 40 DHAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccco3)no2)c1 13845347 PECARYXKCIGHPZ-UHFFFAOYSA-N 311.341 3.518 0 40 DHAB Cc1cccc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)c1C 14116077 ZWKQTZPLWIMUTF-CYBMUJFWSA-N 314.351 3.516 0 40 DHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccnc1 14684145 DWODOIKZDGJOPQ-LJQANCHMSA-N 302.377 3.795 0 40 DHAB in-vitro COc1ccc(OC(=O)c2cc(-c3cccs3)on2)cc1 15669789 JJNSIBWSLWTYKV-UHFFFAOYSA-N 301.323 3.631 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)c2ccccc2F)cc1 23543583 ZRCTTYLRQMKJOU-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB O=C(Nc1ccccc1N1CCCCC1)c1cc(C2CC2)on1 24613056 NMXIXOWBQOUJLG-UHFFFAOYSA-N 311.385 3.795 0 40 DHAB COc1ccccc1NCc1n[nH]c(=S)n1-c1ccccc1 26439442 VUSJCDFWJSBBGQ-UHFFFAOYSA-N 312.398 3.551 0 40 DHAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)no2)cc1 27579983 YSRKWWOIXOENKU-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB COc1ccc2cc(C(=O)Nc3cccc4ncccc34)[nH]c2c1 32759480 FSEGGTMLQFCCLV-UHFFFAOYSA-N 317.348 3.977 0 40 DHAB CCCCN1C(=O)S/C(=C/c2ccc(OC)cc2OC)C1=O 35042136 XZIOZKGKBQKQSN-NTEUORMPSA-N 321.398 3.540 0 40 DHAB CCC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 36694834 KMNVHGBKKYGSDP-INIZCTEOSA-N 311.381 3.980 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccccc1 38772977 CVXHRVSURKFPOD-IBGZPJMESA-N 311.425 3.901 0 40 DHAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccn1 39517188 UYQFZCLZXJNFRQ-GFCCVEGCSA-N 309.394 3.696 0 40 DHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)C[C@H]1C=CCC1 40108485 WDYHRMDSDNDQSU-OLZOCXBDSA-N 322.246 3.853 0 40 DHAB CC(=O)Nc1ccc(NC(=S)N2CCCCCCC2)cc1 41724870 VKETXRWBWYHOEU-UHFFFAOYSA-N 305.447 3.608 0 40 DHAB C(=C/c1nc2ccccc2o1)\c1csc(-c2ncccn2)n1 48250693 BHKLVHWFCVFZOZ-VOTSOKGWSA-N 306.350 3.912 0 40 DHAB Cc1nc(CCNC(=O)N2CC[C@@H](C)c3ccccc32)cs1 48273661 KLAXLXHQIZIZIH-GFCCVEGCSA-N 315.442 3.717 0 40 DHAB Cc1ccc(C(=O)N2CCCc3cc(F)c(F)cc32)c(C)n1 48301709 KSHFNCPEUBRVFJ-UHFFFAOYSA-N 302.324 3.570 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1ccc(F)cc1F 53521440 YZOQCQNTZPARAJ-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB CCOc1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 55652155 YZPHUQPEJUETLQ-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(C(C)C)CO3 57405666 ICBWVWYJWMMOID-UHFFFAOYSA-N 307.777 3.624 0 40 DHAB Clc1ccc(Cc2nnc3sc(C4CCC4)nn23)cc1 61719679 JTRDDFAJSPNMSE-UHFFFAOYSA-N 304.806 3.698 0 40 DHAB CC[C@H](NC(=O)c1ccccc1)c1ccc2c(c1)OCCCO2 64986939 IOEWJHILVJUWLZ-INIZCTEOSA-N 311.381 3.729 0 40 DHAB Cc1ncsc1C(=O)N1CCCCC[C@@H]1c1cccn1C 65402259 FDXNTNRQATZLDE-CQSZACIVSA-N 303.431 3.548 0 40 DHAB Cc1ccc(-n2c(=S)sc3c(=O)[nH]c(=S)[nH]c32)cc1C 67172644 UIPNLLBFRYFMGV-UHFFFAOYSA-N 321.452 3.784 0 40 DHAB C[C@H](SCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 69670286 WJMGUWSBTVPVBW-VIFPVBQESA-N 312.378 3.544 0 40 DHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cc(C)c(O)c(C)c2)on1 72395110 APANPVWRFNQMKI-FUHWJXTLSA-N 314.429 3.806 0 40 DHAB CCSc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)cn1 73187537 NAOWDZZBPWCTCU-SECBINFHSA-N 320.418 3.681 0 40 DHAB Cc1ccc([C@H](NC(=O)NNc2cccc(C#N)c2)C2CC2)cc1 84148669 SFUVVGXTSOXWIS-SFHVURJKSA-N 320.396 3.644 0 40 DHAB CC(C)Cc1cc(C(=O)N(C2CCC(C)CC2)C2CC2)[nH]n1 84689302 RZRNEVDLCODUGZ-UHFFFAOYSA-N 303.450 3.792 0 40 DHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@@H]1CCNC1 89744413 IUALHNZZYBGOIL-QWRGUYRKSA-N 315.244 3.512 0 40 DHAB O=C(NCc1cccs1)c1cccc(Oc2ccccn2)c1 96122638 PXSJNDBVYIBZPM-UHFFFAOYSA-N 310.378 3.865 0 40 DHAB CCS[C@H]1CC[C@H](N(C)C(=O)c2ccccc2COC)C1 96432335 QJBIQXSEAKAQPA-GJZGRUSLSA-N 307.459 3.579 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NCCc1cscn1 96480635 RPNJOXYCUKRWKE-OAHLLOKOSA-N 300.427 3.722 0 40 DHAB CO[C@@H](C)[C@H](C)NC(=O)c1cc(C(C)C)nc2ccccc12 97105098 NWVGVFWWNBMLCO-STQMWFEESA-N 300.402 3.511 0 40 DHAB Cc1csc(C2=C(O)CN(Cc3ccccc3Cl)C2=N)n1 102729412 NOYRBQMSBAUCMT-UHFFFAOYSA-N 319.817 3.867 0 40 DHAB C[C@@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(Cl)cc1 164034722 LJXWSUCOGZGATH-LLVKDONJSA-N 313.788 3.718 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(COC)c1 175245610 LKYBONVRCIVLIK-MRXNPFEDSA-N 317.360 3.768 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2ccc(C)c(C)c2)cc1 224038672 PNGCJCBYPXOVIO-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)Cc1ccc(C)cc1C 224802785 QMFUJFWDWIZMDJ-IBGZPJMESA-N 316.489 3.617 0 40 DHAB O=C(O)[C@@H](Cc1cccc(Br)c1)Oc1ccccc1 225062551 LZVCKROLVDEQIH-CQSZACIVSA-N 321.170 3.524 0 40 DHAB C[C@@H](O)c1ccc(C2(CNC(=O)c3ccoc3)CCCC2)s1 225682531 MPJSXKULOZOTSP-GFCCVEGCSA-N 319.426 3.636 0 40 DHAB COc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1OC 225850086 ONSJRSAJWPTWFM-UHFFFAOYSA-N 320.458 3.713 0 40 DHAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1ccccc1 226851843 PLUSKUHXUWVXBS-HNNXBMFYSA-N 321.380 3.587 0 40 DHAB CCC[C@@H](NCc1nc(C2CC2)nn1C)c1ccc(F)cc1F 566170676 RBSZRBNIEVIXLH-OAHLLOKOSA-N 320.387 3.602 0 40 DHAB CCC[C@@]1(COC)CCCN1C(=O)c1sccc1Cl 585081977 LBEDXSOYQKFBQB-AWEZNQCLSA-N 301.839 3.823 0 40 DHAB Nc1nc(Cl)cc(N[C@@H]2C[C@H]2c2ccc3ccccc3c2)n1 1559176615 LCXAEAOHXYGKAO-UONOGXRCSA-N 310.788 3.833 0 40 DHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C]1CCCC[C@@H]1C(=O)O 1560403799 HOJXYHVZOUWDLQ-LBPRGKRZSA-N 315.176 3.781 0 40 DHAB CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2 33131 MNJNPLVXBISNSX-PBWFPOADSA-N 314.212 3.775 0 40 DHAB in-man CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 50531 RZXGWGGNXRADRN-UHFFFAOYSA-N 322.452 3.947 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1OC 496606 GWCQTLRXSXRLJY-CSKARUKUSA-N 311.381 3.973 0 40 DHAB Fc1ccc(-c2nc3ccccn3c2NC[C@@H]2CCCO2)cc1 904079 ZFDPJAHSVGWTNB-HNNXBMFYSA-N 311.360 3.731 0 40 DHAB COc1cc(C(=S)N(C)C)ccc1OCc1ccc(C)cc1 1441732 PVKQDMFVUKIEKG-UHFFFAOYSA-N 315.438 3.820 0 40 DHAB O=C(O)CNc1ccc2c(c1)Cc1cc(Br)ccc1-2 1722542 NSVIUUBAVHWSQW-UHFFFAOYSA-N 318.170 3.517 0 40 DHAB COc1ccc(-c2cc(C(F)F)c3c(C)nn(C)c3n2)cc1 2741021 PEFTYSOOLFEDJD-UHFFFAOYSA-N 303.312 3.890 0 40 DHAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCC1 3210229 RGVWRGXYMZSDFE-UHFFFAOYSA-N 318.398 3.586 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)OCc2c(C)noc2C)c1 4195302 VJUMXKYFLAEBPD-UHFFFAOYSA-N 317.385 3.845 0 40 DHAB O=C(NC1CC1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 7676170 PARYRTDLTORKNP-INIZCTEOSA-N 323.421 3.675 0 40 DHAB CC[C@@H](CO)NCc1ccccc1OCc1ccccc1Cl 8326401 CSCDYMXYTYWNHI-INIZCTEOSA-N 319.832 3.780 0 40 DHAB C[C@H]1CC2=C(C(=O)O1)[C@@H](c1ccccc1)Nc1ccccc1N2 8684986 YBSLINJTEXAWIR-KPZWWZAWSA-N 306.365 3.855 0 40 DHAB CCOc1cc2ccccc2cc1C(=O)NCCc1ccccn1 9157478 DQCYCSOWJQJBEJ-UHFFFAOYSA-N 320.392 3.606 0 40 DHAB FC(F)Oc1ccc(CNc2ncnc3sccc23)cc1 9313527 OZDWWZSNFXKRPU-UHFFFAOYSA-N 307.325 3.905 0 40 DHAB COc1cc(Cl)c(NC(=O)Cc2cccc(F)c2)cc1OC 11061376 PGGMGNMNRRMGCK-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12632525 BDAMTNACEILWEQ-LBPRGKRZSA-N 303.793 3.791 0 40 DHAB O=S(=O)(NCCC1CCCCCC1)c1ccc(Cl)cc1 13673226 RCPORUWSGNNYEL-UHFFFAOYSA-N 315.866 3.979 0 40 DHAB Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 14573708 YZLXHGBLWAHHRM-HEWZJLJBSA-N 323.392 3.923 0 40 DHAB CC(C)(C)Nc1ncnc2c1cnn2-c1cccc(Cl)c1 17112834 KZRWILDJKOMJJN-UHFFFAOYSA-N 301.781 3.679 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c(C)c1 29483044 XPCLIYMLTBDGBM-LJQANCHMSA-N 308.425 3.861 0 40 DHAB COc1ccccc1CN(C)C(=O)c1ccccc1SC 30859316 LTIUCIRWASOGES-UHFFFAOYSA-N 301.411 3.689 0 40 DHAB COc1cc(CNC(=O)C[C@H]2C=CCC2)ccc1OCC(C)C 31290636 KHNMWSPKRBFJGV-HNNXBMFYSA-N 317.429 3.703 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)Cc1ccc(Cl)c(Cl)c1 32675870 XCQFFEVSPKHVSM-UHFFFAOYSA-N 312.200 3.525 0 40 DHAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1 36635401 IJKYCFNCNNVVQX-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CCCCc1nnc(NC(=O)c2ccc3c(ccn3C)c2)s1 40267950 SENMEBWFCDZDDB-UHFFFAOYSA-N 314.414 3.625 0 40 DHAB CC(=O)Oc1ccccc1C(=O)c1cccc(C(F)(F)F)c1 43209752 GJCCXWDYFZJOCS-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB CCCc1noc([C@@H](C)Nc2ccc(NC(=O)OCC)cc2)n1 56158334 STVVLBNCPAMZHP-LLVKDONJSA-N 318.377 3.764 0 40 DHAB CCCCCNC(=O)C1CCN([C@H](C)c2cccc(F)c2)CC1 56284266 PPUVVGUZHJIPEC-OAHLLOKOSA-N 320.452 3.905 0 40 DHAB CC(C)COC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1 67056809 IOXJOAVHNSSCJK-ROUUACIJSA-N 319.420 3.593 0 40 DHAB CCc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)o1 69896721 VVOUTSKUDOGIBK-UHFFFAOYSA-N 302.349 3.834 0 40 DHAB Cc1cnc([C@H](NC(=O)c2cc(F)ccc2C)C2CC2)s1 72296830 WKPRFAGYQQYZDI-CQSZACIVSA-N 304.390 3.780 0 40 DHAB CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1nc(C(C)=O)cs1 74236721 XMJAPBYGDSXXQW-JKOKRWQUSA-N 324.446 3.658 0 40 DHAB CC1CCN(C(=O)c2ccc(NCc3ccsc3)nc2)CC1 75610801 IBUACOMKWGZFLT-UHFFFAOYSA-N 315.442 3.627 0 40 DHAB C[C@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)CO1 75682875 NAKODRVBRFAZHD-NEPJUHHUSA-N 306.793 3.604 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)[C@H](O)c2ccc(OC)cc2)cc1 79074419 LQBGMBCVASNFPQ-ACJLOTCBSA-N 313.397 3.566 0 40 DHAB O=C(c1cccc2c1OCCO2)N1CCC[C@H]1C1CCCCC1 84358409 QKKSGOSZKAEFFB-INIZCTEOSA-N 315.413 3.643 0 40 DHAB CC(C)c1nc(CC(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1 84630980 AECJDWVJCAUESS-GJZGRUSLSA-N 318.417 3.620 0 40 DHAB O=C(c1ccc(Oc2ccccc2)cc1)N1[C@H]2CCC[C@@H]1COC2 85471100 DQPXJTNEOVZQAO-CALCHBBNSA-N 323.392 3.872 0 40 DHAB CC[C@H](NCc1cccc(C(=O)NC)c1)c1cc(F)ccc1F 95420962 MXSYFUQFMAAWDS-KRWDZBQOSA-N 318.367 3.565 0 40 DHAB C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CC1(O)CCCCC1 95455937 GMMAQSYEPXDLMF-UONOGXRCSA-N 319.420 3.745 0 40 DHAB CC(C)(C)OC(=O)NCCCSC(F)(F)C(F)(F)F 95918456 AFEZHSYUXBNBAA-UHFFFAOYSA-N 309.300 3.790 0 40 DHAB COc1ccc(F)cc1CSCc1nnc(C(C)(C)C)o1 96403351 GJWDDKSMTYPKDI-UHFFFAOYSA-N 310.394 3.948 0 40 DHAB COc1ccccc1OCC(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100765126 JHJULCXRUHSOCL-IFXJQAMLSA-N 317.429 3.501 0 40 DHAB C[C@H](NC(=O)COc1cccc(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103075003 IQLFKLHHRFOXPQ-VLXAULBPSA-N 307.821 3.660 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 113960008 FJFCMOSGJXWBGW-BLLLJJGKSA-N 319.351 4.000 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 224294394 XIGAGZAKHIUDCM-SJORKVTESA-N 311.425 3.991 0 40 DHAB CCOc1cc(CNC[C@H]2CCCO2)ccc1O[C@@H](C)CC 225158198 XZPVYASBZRPMPA-GOEBONIOSA-N 307.434 3.531 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccccc2Cl)cc1 225439740 FYUDGMGQFSDVAH-CQSZACIVSA-N 317.816 3.775 0 40 DHAB COc1ccccc1CCCNC(=S)Nc1ccc(C)cc1 225548880 ZRKCQQWIAVDZOQ-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(F)cc1 225782168 ZIBUJDBQMBQKOI-GFCCVEGCSA-N 304.390 3.580 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@H](c4ccncn4)C3)ccc2o1 257340626 ZGYKFVKHIJNAAL-HNNXBMFYSA-N 321.380 3.551 0 40 DHAB O=C1COc2ccccc2N1Cc1c(Cl)cccc1Cl 408603921 HSTXPAYELLNROF-UHFFFAOYSA-N 308.164 3.919 0 40 DHAB CNC(=O)N(C1=NCCCCC1)c1ccc(Br)cc1 238554 YFDJKZVCQKDFEZ-UHFFFAOYSA-N 324.222 3.567 0 40 DHAB CCc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)cc1 299632 XDBBTWYRQFDBSE-UHFFFAOYSA-N 316.489 3.623 0 40 DHAB Fc1ccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)cc1 385561 NDQXCWYXXTWQHH-UHFFFAOYSA-N 314.320 3.798 0 40 DHAB Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2 509214 WEOVRRATIGZAQZ-UHFFFAOYSA-N 314.776 3.977 0 40 DHAB Cc1cc(C)n2nc(NCc3ccc(Cl)cc3Cl)nc2n1 2208068 KJWNYDBMESNTBY-UHFFFAOYSA-N 322.199 3.660 0 40 DHAB CCCCCCNc1nc(Cl)nc(NCc2ccco2)n1 3670888 HGPNXPGVEKZEAL-UHFFFAOYSA-N 309.801 3.722 0 40 DHAB C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4245646 CHNXZKVNWQUJIB-DGGDGUMWSA-N 312.453 3.883 0 40 DHAB biogenic NC(=O)c1oc2ccccc2c1NC(=O)c1cc2ccccc2o1 4852019 MWRCGARIZRKMHV-UHFFFAOYSA-N 320.304 3.530 0 40 DHAB O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1-2 5554143 JYZHTTGCIZLLHB-UHFFFAOYSA-N 313.356 3.828 0 40 DHAB COc1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1 6174740 XDWAQLFDFJBULY-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccn1 6820393 SEWDPDWJIOLYPD-ZHACJKMWSA-N 301.349 3.899 0 40 DHAB CCOC(=O)c1ccc(OCc2nc3ccccc3nc2C)cc1 6844367 DYDUKRAFVSJJMH-UHFFFAOYSA-N 322.364 3.694 0 40 DHAB FC(F)(F)c1ccc(NC(=S)NCc2ccco2)cc1 6971248 LPOOCMJKURJPMA-UHFFFAOYSA-N 300.305 3.785 0 40 DHAB COc1cccc(NC(=O)CSCc2cccc(C)c2)c1 7208866 KLSDSOGHYLCZBO-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB C[C@H](O)c1ccc(-c2ccc(CNCc3ccncc3)o2)cc1 7276906 BFWVOCHZZSKLLX-AWEZNQCLSA-N 308.381 3.685 0 40 DHAB Cc1ccc(C)c(NC(=S)NCc2nc3ccccc3[nH]2)c1 8656781 XPJSHQWRDVDMRU-UHFFFAOYSA-N 310.426 3.666 0 40 DHAB Cc1cc(NC(=O)CNc2ccccc2Oc2ccccc2)no1 8747670 SJUPCBGNMWSJPC-UHFFFAOYSA-N 323.352 3.826 0 40 DHAB CN(Cc1cccc(Cl)c1)C(=O)NCCc1ccc(F)cc1 9516024 ZLZZBBFTYVGCKA-UHFFFAOYSA-N 320.795 3.863 0 40 DHAB c1ccc(Nc2nnc(SCc3ccccn3)s2)cc1 9641148 BICZMIPAXWCWGL-UHFFFAOYSA-N 300.412 3.969 0 40 DHAB CC(C)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1 11869000 WQRQVIJJAZQWTA-UHFFFAOYSA-N 316.426 3.630 0 40 DHAB O=C(c1c(F)cccc1Cl)N1CCO[C@H](c2ccccc2)C1 12441512 AKUJXDKKHXBCLB-HNNXBMFYSA-N 319.763 3.693 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc2c1 12493287 UYBJZZZFBNZIMF-UHFFFAOYSA-N 314.772 3.802 0 40 DHAB O=C(Cc1cc(-c2cccs2)on1)Nc1ccc(F)cc1F 12869147 YJFYOJRGVMESEL-UHFFFAOYSA-N 320.320 3.863 0 40 DHAB Cc1cc(CSc2n[nH]c(/C=C/c3ccc(F)cc3)n2)on1 12902453 MEGHAOTVYLIVFU-QPJJXVBHSA-N 316.361 3.703 0 40 DHAB Cc1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 12993948 PQMVBXKCGMCPEY-HXUWFJFHSA-N 322.452 3.755 0 40 DHAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 13097271 KZIASPBDRVEAJH-UXBLZVDNSA-N 309.365 3.808 0 40 DHAB CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)O 16007088 RBDLKXJIZFHGMD-IAGOWNOFSA-N 317.429 3.706 0 40 DHAB CCN(Cc1ccncc1)C(=S)Nc1ccc(F)cc1F 16215731 SINWTGJSZZHPRR-UHFFFAOYSA-N 307.369 3.579 0 40 DHAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl 16780027 OEZCACRFSPZUOV-CABZTGNLSA-N 322.257 3.850 0 40 DHAB CCC(CC)C(=O)Nc1nnc(-c2ccccc2OC)s1 17249565 WXDRZLCNSNOYPD-UHFFFAOYSA-N 305.403 3.588 0 40 DHAB CC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc(OC)cc1 18173832 YKEUUYGSMHTAAF-OAHLLOKOSA-N 314.385 3.977 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1C 20107324 FETNKLNTVQPBAE-INIZCTEOSA-N 309.409 3.656 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)Cc1cc(C)ccc1C 20111365 QKVVJIVMHIXNTL-IBGZPJMESA-N 316.489 3.617 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(F)cc2Br)cn1 20430159 XBEPPNHHNMDWIZ-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1 22250527 AJVVLAYYWHBJIE-LLVKDONJSA-N 319.788 3.848 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cn1 26250797 CJEJQSFPXHXUHD-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB c1cc(-c2ccc(CNc3ncnc4ccsc34)cc2)[nH]n1 32932647 BYWDXEWAUJZBSN-UHFFFAOYSA-N 307.382 3.694 0 40 DHAB COCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 33852231 QBUUEBUUMUYSIY-UHFFFAOYSA-N 310.441 3.780 0 40 DHAB in-vitro Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)sc1C 36395484 DAWDZAXKBLHRHX-UHFFFAOYSA-N 316.382 3.574 0 40 DHAB Cc1cc(CSCC(=O)Nc2ccc(C)c(Cl)c2)no1 40086349 YJLULOJBNNHIGC-UHFFFAOYSA-N 310.806 3.817 0 40 DHAB COc1ccc2cc(CNCc3ccc(N(C)C)nc3)ccc2c1 42227478 SQRDOZAQYQPQKV-UHFFFAOYSA-N 321.424 3.599 0 40 DHAB Cc1noc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)n1 42702410 LFHKIXUYFWHJEW-UHFFFAOYSA-N 313.357 3.737 0 40 DHAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc2nccnc12 49546309 ZVJXLJPLPJETQH-LBPRGKRZSA-N 321.384 3.705 0 40 DHAB CC(C)Oc1cccc([C@@H]2SCC(O)=Nc3c2cnn3C)c1 49546988 HWMABICSWMHMEI-HNNXBMFYSA-N 317.414 3.632 0 40 DHAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(O)cc2)C1 49549699 NRDSZAHIBZHGCJ-INIZCTEOSA-N 319.364 3.761 0 40 DHAB O=C(NC1CCCCCCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 58368294 OSKSPMWDGOWQHV-KRWDZBQOSA-N 318.392 3.548 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(C)n1C 65440576 NGKPIUGPNIHJOI-HNNXBMFYSA-N 317.458 3.614 0 40 DHAB CC(C)(C)NC(=O)c1ccc(C(=O)NC2CCCCCC2)cc1 66013979 WPYWSDOLBHRFTK-UHFFFAOYSA-N 316.445 3.668 0 40 DHAB CCCCOC(=O)c1cc(N)c(N2CCCCC2)c(Cl)c1 70462197 CRNVYZZIWZEIIE-UHFFFAOYSA-N 310.825 3.869 0 40 DHAB CC(C)(C)c1ccc(C(=O)NC[C@H](O)C2CCCCC2)cc1 70636641 LXUHOSBHVZQHIT-KRWDZBQOSA-N 303.446 3.655 0 40 DHAB Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc2ncccc2c1=O 71794618 NJGZMLNOOKZPLS-UHFFFAOYSA-N 321.424 3.754 0 40 DHAB Cc1nc(CC(=O)N2CCCCC[C@H]2c2ccncc2)cs1 71798127 WFENYDDTNJWDJG-INIZCTEOSA-N 315.442 3.533 0 40 DHAB CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H]2CCCCN2)n1 72209130 QHWMBKNRXCSAAF-ZDUSSCGKSA-N 321.808 3.992 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)cnc1N(C)C 72218618 DJKSKOBUZPTARG-CQSZACIVSA-N 305.422 3.528 0 40 DHAB Cc1c(F)cccc1NC(=O)c1cnn(-c2ccccc2)c1C 73391943 LXAKHQYQXINGOM-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB Cc1cccc2c1N(C(=O)C[C@H]1OCCc3ccccc31)CC2 89688970 OBGDYFLRTKHRBM-GOSISDBHSA-N 307.393 3.588 0 40 DHAB Cc1ccc(CCC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)o1 95405756 CISYWUGJWSWHJQ-OLZOCXBDSA-N 303.324 3.758 0 40 DHAB C[C@H](C(=O)Nc1ccc(CCC(=O)O)cc1)c1ccccc1F 95425534 WCUWVONBLQMHIS-LBPRGKRZSA-N 315.344 3.585 0 40 DHAB O=S(=O)(Nc1cccc(Cl)n1)c1cccc2ccccc12 95944161 JTIONYQLJMAGPT-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB O=C(COC1CCCCC1)Nc1cc(Cl)nc(Cl)c1 95945750 OWEKNUABFAPRLW-UHFFFAOYSA-N 303.189 3.676 0 40 DHAB COc1ccc(CNCc2cscn2)cc1OC1CCCC1 96403990 TYLGAJNVETZGGZ-UHFFFAOYSA-N 318.442 3.763 0 40 DHAB Cc1cc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)on1 96407407 IPDXWKYRILTJLJ-ZDUSSCGKSA-N 322.817 3.567 0 40 DHAB O=C(Nc1cnns1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 97105266 XKIBBPQSQIQVRR-ZJUUUORDSA-N 314.197 3.587 0 40 DHAB C[C@]12C=C[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 118931231 MQKCILYFKAJWDB-PAPWGAKMSA-N 302.458 3.837 0 40 DHAB FC(F)(F)c1cccc(CNc2nnc([C@@H]3CCCO3)o2)c1 181969947 SHPPXAYTAWEEHU-NSHDSACASA-N 313.279 3.552 0 40 DHAB Cc1cc(S[C@@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)nc(S)n1 221828593 FQMQIQCRUPFDGN-DDHOLCJHSA-N 308.472 3.560 0 40 DHAB COc1cccc2c1N([C@@H](C(=O)O)C(C)C)C(C)(C)C=C2C 223209506 JCADPWRKIPQAIB-OAHLLOKOSA-N 303.402 3.806 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2ccccc2)cc1C 223381147 OUIYVCVIKIJVRD-UHFFFAOYSA-N 300.427 3.669 0 40 DHAB COc1ccccc1O[C@H](Cc1c(C)cc(C)cc1C)C(=O)O 225136707 AUYRBEOLGGMSMA-GOSISDBHSA-N 314.381 3.695 0 40 DHAB CCOc1ccc(C(=O)NCCCc2ccco2)cc1Cl 225683799 BHVDWNQFPRIPEA-UHFFFAOYSA-N 307.777 3.694 0 40 DHAB Cc1ccccc1O[C@H]1CCCC[C@@H]1N1CCN[C@@H]2CCC[C@@H]21 225717938 FUJSTKVKXGEKGI-LXZJYRNTSA-N 314.473 3.511 0 40 DHAB O=C(CC1CCCCC1)N1CC(Cc2nccc3cc[nH]c23)C1 257209084 BOWOZOGQSKJCTG-UHFFFAOYSA-N 311.429 3.534 0 40 DHAB c1ccc2c(CN3CC[C@H](Cc4nccs4)C3)ccnc2c1 257327304 XAWNOMCPCIWYIO-CQSZACIVSA-N 309.438 3.756 0 40 DHAB CNC1CCC(Cc2cccc(-c3cnc4ccccn34)n2)CC1 585263460 ZULYFUIYMDCCNY-UHFFFAOYSA-N 320.440 3.717 0 40 DHAB CO[C@H]1CCCN(Cc2ncccc2C)[C@H]1Cc1ccc(C)cc1 643914146 MFZCIFAOIWSSNW-SFTDATJTSA-N 324.468 3.921 0 40 DHAB Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1 73580 UHNUSIKXYYUMEU-UHFFFAOYSA-N 307.382 3.905 0 40 DHAB Cc1[nH]c2c(ccc3cccnc32)c1[C@@H]1[C@H](CC(N)=O)C1(C)C 519971 UTXMYOXAUWPCNE-BBRMVZONSA-N 307.397 3.640 0 40 DHAB O=C(COc1ccc(Cl)c(Cl)c1)NCc1cccs1 2632298 XKOIWWCAQQAHNT-UHFFFAOYSA-N 316.209 3.750 0 40 DHAB Cc1ccc(N2N3C(=O)O[C@]4(C)CC[C@@H](C2(C)C)[C@@]34C)cc1 4143856 GENIPKLLJWZBFJ-BMGDILEWSA-N 300.402 3.888 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nccs1 4616404 LSKFTRPGHYTULW-UHFFFAOYSA-N 310.806 3.903 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2cc(C)nc3ccccc23)c1 5934729 BLNRJVJFTKODDN-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB C[C@@H](OC(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@H]1C 5981018 HTNKJHFZLVXDDT-LALPHHSUSA-N 323.820 3.580 0 40 DHAB CC(C)OCCCNC(=O)CSCc1cccc(Cl)c1 6307116 KMEFXLGOCPEACJ-UHFFFAOYSA-N 315.866 3.505 0 40 DHAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1O 7885939 NAENEKHLSLNCLM-GOSISDBHSA-N 324.380 3.520 0 40 DHAB O=c1c(Br)c(-c2ccccc2)[nH]c2ccccc12 8581038 XTXHUFVPTJDODX-UHFFFAOYSA-N 300.155 3.958 0 40 DHAB CC1CCC(NC(=O)c2ccc(CN3CCCCC3)cc2)CC1 8746211 BDEJZEGJPXGMDQ-UHFFFAOYSA-N 314.473 3.981 0 40 DHAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(F)cc1 10994865 ACFAJQCJXVHROP-UHFFFAOYSA-N 309.340 3.788 0 40 DHAB CC(=O)c1cccc(OCC(=O)N[C@H](c2ccccc2)C2CC2)c1 11212361 VZNLRLYVLHJJHX-HXUWFJFHSA-N 323.392 3.536 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CNc3cccc(OC)c3)cc2c1 12566073 QMAVYYNRPHBKON-UHFFFAOYSA-N 324.380 3.548 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)N[C@H]1CCCC[C@H]1C 12790898 PAYRGPZQBXTLPV-ZBFHGGJFSA-N 304.434 3.594 0 40 DHAB COc1cccc(CN(Cc2ccncc2)Cc2cccnc2)c1 13989630 YQSRSIAARDNEQZ-UHFFFAOYSA-N 319.408 3.688 0 40 DHAB CC(C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14792824 YRSWBVGSYKUOFR-AWEZNQCLSA-N 310.397 3.772 0 40 DHAB O=C(c1ccc2[nH]cnc2c1)N1CCC(Cc2ccccc2)CC1 15433826 DGTWSIYPCRXOSS-UHFFFAOYSA-N 319.408 3.658 0 40 DHAB CC(=O)[C@H](C)Sc1nnc2cc(C)c3cc(C)cc(C)c3n12 15831953 JPSYKTRAVVPQAP-ZDUSSCGKSA-N 313.426 3.877 0 40 DHAB CC1CCN(C(=O)Cc2csc(Nc3ccccc3)n2)CC1 16850057 VLKBKISHKOWRMF-UHFFFAOYSA-N 315.442 3.688 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(Cl)c2)c1 17370435 SJGQKDFYKHHMDN-NSHDSACASA-N 319.788 3.848 0 40 DHAB O=C(O)C[C@H](c1cccc(Br)c1)c1nccs1 19784524 RSXDQMUSOYKRKF-SNVBAGLBSA-N 312.188 3.512 0 40 DHAB O=C(NCc1ccccc1Cl)C1(c2ccc(F)cc2)CC1 21695638 SJKAGFZILOBCKY-UHFFFAOYSA-N 303.764 3.827 0 40 DHAB CC[C@@H](NC(=O)c1cn2c(C)cccc2n1)c1ccc(OC)cc1 23649758 SJBIUXJSQKDMKY-MRXNPFEDSA-N 323.396 3.532 0 40 DHAB Cc1ccccc1SCC(=O)Nc1nc2c(s1)CCC2 25767327 PSLRKGYCWZHCGG-UHFFFAOYSA-N 304.440 3.671 0 40 DHAB CCn1nc(C)c2c(C(=O)N[C@@H](C)c3ccccc3)cc(C)nc21 28240865 KAYYCGYEPOFEIE-ZDUSSCGKSA-N 322.412 3.559 0 40 DHAB Cc1cccc(N[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 36635511 NXPWBMLRGFMEKW-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CC(C)(C)Cc1ccc(C(=O)O)cc1I 39951766 DZSQYSGNPHEEBZ-UHFFFAOYSA-N 318.154 3.578 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)c2csc(-c3ccco3)n2)o1 40052412 MDJXYPSSOKKLGM-SNVBAGLBSA-N 302.355 3.796 0 40 DHAB Cc1cc(NC(=O)c2c(F)cccc2Cl)ccc1C(=O)O 44749830 PTFBQFSXLKWJEO-UHFFFAOYSA-N 307.708 3.738 0 40 DHAB O=[S@](Cc1cc(-c2ccccc2)on1)Cc1ccccc1F 48354447 NRAMXKSWEKNJFH-JOCHJYFZSA-N 315.369 3.930 0 40 DHAB CC(C)OCc1cccc(CNC(=O)c2cc(F)ccc2F)c1 48364268 LEBOKUGHISGVHP-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB O=C(CCC(=O)c1cccs1)N[C@@H]1CCc2c(F)cccc21 55681942 FZTFSLDMBQIPRA-CQSZACIVSA-N 317.385 3.654 0 40 DHAB O=C(Nc1ccnn1C1CCCCC1)c1n[nH]c2ccccc12 58014477 UXVZVCSMDPYNNL-UHFFFAOYSA-N 309.373 3.517 0 40 DHAB CC(C)CO[C@H](C)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 58168450 WUTGPXVLBJCASP-GFCCVEGCSA-N 319.430 3.534 0 40 DHAB CC(C)(C)c1noc(C[S@](=O)[C@@H]2CCCc3ccccc32)n1 58379982 BNGHZQJEYUFAJC-JLCFBVMHSA-N 318.442 3.693 0 40 DHAB Cc1ccc2nc(SCCCOCC(F)(F)F)[nH]c2c1 59962080 YJAHCTTVSQHDDI-UHFFFAOYSA-N 304.337 3.932 0 40 DHAB CC(C)c1cc(C(=O)Nc2nccs2)n(-c2ccccc2)n1 61718349 CAXAJEIAYUVGGE-UHFFFAOYSA-N 312.398 3.705 0 40 DHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C(F)(F)F)C1 65564701 NEVQKUBIYZLIMZ-UWVGGRQHSA-N 305.344 3.702 0 40 DHAB Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2cccc(O)c2)s1 69462177 GBZQOENPULBXHF-HUUCEWRRSA-N 301.411 3.524 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1F 71760501 RPMHTAYRRJDNOF-UHFFFAOYSA-N 312.316 3.921 0 40 DHAB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C[C@@H]2CCCO2)CC1 71830335 KQGHKPDWMRYQLM-INIZCTEOSA-N 324.424 3.661 0 40 DHAB CCc1ccc([C@H](C)NC(=O)[C@H](C)c2c(C)nn(C)c2C)cc1 71844117 FJIDESXTJVLDPG-OLZOCXBDSA-N 313.445 3.580 0 40 DHAB O=C(NCCOc1cccc2ccccc12)NC1CCCCC1 71972875 KIOSKJPCFKBJRJ-UHFFFAOYSA-N 312.413 3.851 0 40 DHAB Cc1cccc(OCC(=O)Nc2cnc(C)c(Cl)c2C)c1 72265131 VLTIRSNJAJESCE-UHFFFAOYSA-N 304.777 3.678 0 40 DHAB C[C@H]1CCCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 72292861 KVEPKZOURQZPEW-UGSOOPFHSA-N 324.465 3.519 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)sc1C 72297473 KPPXFJQYPNTDOB-CABCVRRESA-N 304.459 3.822 0 40 DHAB Cc1ncsc1CN[C@H]1CCCc2c1cnn2C(C)(C)C 72298316 IEJOPSJDMBUVQZ-ZDUSSCGKSA-N 304.463 3.570 0 40 DHAB CC(C)COCCC(=O)Nc1ccc(F)cc1C(F)(F)F 78743231 LUUWRVYRJLVTKD-UHFFFAOYSA-N 307.287 3.846 0 40 DHAB COCCCCCSc1nccn1-c1ccc(OC)cc1 78747936 HLLPKGOXFARJCQ-UHFFFAOYSA-N 306.431 3.790 0 40 DHAB CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc(C)oc2C)cs1 80818468 FUBGJBVUSRGXBP-LBPRGKRZSA-N 322.430 3.723 0 40 DHAB Cc1ccc2cc(F)c(C)c(I)c2n1 85399623 LKHZFPCGSUEGJW-UHFFFAOYSA-N 301.102 3.595 0 40 DHAB CCn1ccc2ccc(NC(=O)N[C@@H](C)C3CCOCC3)cc21 89309961 QRJRFMWXPDTHHP-ZDUSSCGKSA-N 315.417 3.598 0 40 DHAB Cc1ncsc1CN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 93606498 GMCYEATUEFVRED-ABAIWWIYSA-N 306.406 3.553 0 40 DHAB C[C@H]1C[C@H](NCCc2ccccc2F)CN1Cc1ccccc1 95419364 JAPHTMCASRQQGO-LPHOPBHVSA-N 312.432 3.621 0 40 DHAB Cc1ccc([C@H](C)NCc2cc(O)ccc2Br)o1 95428171 DYHMSEFFGOWKJL-JTQLQIEISA-N 310.191 3.907 0 40 DHAB Cc1cccc([C@H](NC(=O)c2cccnc2C)c2ccccn2)c1 95452178 VYBKZIUWHUZIFB-IBGZPJMESA-N 317.392 3.613 0 40 DHAB Cc1ccccc1NC(=O)c1ccn(-c2ccc3ccccn23)n1 96038027 KBLVPBPBZYACSM-UHFFFAOYSA-N 316.364 3.686 0 40 DHAB Cc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)s1 96056413 MOZWXXOXXQNXQM-KBAYOESNSA-N 321.486 3.605 0 40 DHAB CCc1ccc(CNc2ccccc2N2CCC(CO)CC2)o1 96499640 ZZFDCILOSPFRQD-UHFFFAOYSA-N 314.429 3.663 0 40 DHAB O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)c1csnn1 104463575 ZSBQNCDOQSXQTN-AWEZNQCLSA-N 321.833 3.853 0 40 DHAB O=C(Nc1ccc(Br)c(Cl)c1)c1cccnc1 156453214 ILJGDMMYHXKRAX-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1ccc(C)cc1C 225993925 DRULFYZRAIHSKJ-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB FC(F)(F)CN1CCC(CNc2nc3ccccc3o2)CC1 275849258 RIEFRQXCRZPBPO-UHFFFAOYSA-N 313.323 3.514 0 40 DHAB CCCCN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O 409057849 WVMNNBHDFZVSAS-WQLSENKSSA-N 311.790 3.882 0 40 DHAB O=C(/C=C/c1ccccc1)N1CCc2sc(Cl)cc2C1 575616343 NDAQHPYZOIMRBU-VOTSOKGWSA-N 303.814 4.000 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)N[C@H](C(F)F)C1CC1 585081545 CWMBOSGUJJQRJV-JTQLQIEISA-N 308.781 3.587 0 40 DHAB CCN(C(=O)Nc1ccccc1F)[C@@H](C)[C@H](O)c1ccccc1 585086370 LQZKLYOIPWMQHK-GUYCJALGSA-N 316.376 3.802 0 40 DHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 183797 VQPOZOHJTDFJMF-UHFFFAOYSA-N 302.761 3.859 0 40 DHAB CCCc1nc2ccccc2n1C[C@@H](O)COC1CCCCC1 243041 TWZNCNVFWYJJPD-OAHLLOKOSA-N 316.445 3.699 0 40 DHAB O=C1/C(=C/c2ccco2)N=C(N2CCCCC2)N1c1ccccc1 382936 GRLYKBJZLOUOSE-VKAVYKQESA-N 321.380 3.509 0 40 DHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1 427357 MAURMOHKPVIHRO-UHFFFAOYSA-N 323.421 3.912 0 40 DHAB Cc1ccc2oc(-c3ccc(NC(=O)CCC(=O)O)cc3)nc2c1 544641 OUQRNCFQXYUTKL-UHFFFAOYSA-N 324.336 3.607 0 40 DHAB CCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OCC 575000 JORAVBFMNKIPFH-RVDMUPIBSA-N 309.365 3.977 0 40 DHAB Cc1nc(Nc2cc(Cl)ccc2Cl)c2cnn(C)c2n1 1718455 XADQBEFTTPPIHA-UHFFFAOYSA-N 308.172 3.722 0 40 DHAB CSc1nc2nccc(-c3ccc(Cl)c(Cl)c3)n2n1 3016199 UCMXZFXUUUQUHH-UHFFFAOYSA-N 311.197 3.820 0 40 DHAB O=C(COc1ccc(Oc2ccccc2)cc1)NCc1ccco1 4070105 JRQOOXIDIXENIO-UHFFFAOYSA-N 323.348 3.767 0 40 DHAB CSc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 4086631 GOWWONBCIROBCM-UHFFFAOYSA-N 320.226 3.819 0 40 DHAB O=C(CCSC1=NCCS1)Nc1ccccc1Cl 4668896 ODWOFVFZZCGFOT-UHFFFAOYSA-N 300.836 3.505 0 40 DHAB Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1F 4852733 TUUPFRMOZOQJLW-CRAIPNDOSA-N 312.344 3.904 0 40 DHAB Cc1ccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1 5248825 UZQFTHIJNROHGY-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB COc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 5452002 LGYAQCPVTAEBRK-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB Cc1c(C(=O)Nc2ccccc2)c(N)n(Cc2ccccc2)c1C 5482741 SAAAUAGBPBEHBM-UHFFFAOYSA-N 319.408 3.988 0 40 DHAB COc1ccc2c(c1)OCCN(C)O[C@@H]2c1cccc(Cl)c1 5496684 PFZGKMHQHBIQJU-QGZVFWFLSA-N 319.788 3.694 0 40 DHAB C[C@H]1CCCCN1c1ncnc2ccc(Br)cc12 5696677 MIKOVYSCZQXXGS-JTQLQIEISA-N 306.207 3.771 0 40 DHAB CCOC(=O)C(C(=O)OCC)=C(c1ccccc1)c1ccccc1 5854457 SCJORYSROIFVSH-UHFFFAOYSA-N 324.376 3.615 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2cccc(C)c2)cc1 7582734 RGFSBZIBUXNBTM-UHFFFAOYSA-N 300.427 3.669 0 40 DHAB COc1ccc(NC(=O)c2cc(Br)ccc2F)cc1 7652359 JMHTWTWRCVAXJR-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB O=C(NCCC1=CCCCC1)c1cc(Cl)c2c(c1)OCO2 7988389 CZDMPMIIIBUMMI-UHFFFAOYSA-N 307.777 3.689 0 40 DHAB COc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cn1 8018192 JURYJJWQYDXJRQ-UHFFFAOYSA-N 322.364 3.922 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1C 8259540 ADHQPCYKLMBDKM-UHFFFAOYSA-N 315.344 3.546 0 40 DHAB Cc1ccc(-n2nc(C(=O)O)nc2-c2ccc(Cl)cc2)cc1 8730804 DMWGOROPQSJEND-UHFFFAOYSA-N 313.744 3.594 0 40 DHAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1 9196487 AFALQAQYAZHGMH-UHFFFAOYSA-N 307.353 3.698 0 40 DHAB COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c(OC)c1 9315301 FITHILFBFUBBOR-KBPBESRZSA-N 315.344 3.585 0 40 DHAB O=C(NCCCSc1ccc(F)cc1)Nc1nccs1 10220881 WCJBUHLAIBVXCT-UHFFFAOYSA-N 311.407 3.586 0 40 DHAB CCCCCn1c([C@H]2COc3ccccc3O2)n[nH]c1=S 11692635 QCRSGTGPCDSISO-CYBMUJFWSA-N 305.403 3.643 0 40 DHAB COc1cc2nc(Cl)nc(N3CCC[C@@H](C)C3)c2cc1OC 11756900 DREVHRMGZRFWQO-SNVBAGLBSA-N 321.808 3.537 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc3ccccc3c(=O)s2)c1 12274425 IOPWSSUCARCEMF-UHFFFAOYSA-N 323.373 3.716 0 40 DHAB O=c1oc2ccccc2n1CCOc1cc(Cl)ccc1Cl 12886991 GHYCAXGMGCNCDH-UHFFFAOYSA-N 324.163 3.980 0 40 DHAB CC(C)n1ncc2cc(NC(=O)CCC3CCCC3)cnc21 12905198 ORMFGCYZKRNAEK-UHFFFAOYSA-N 300.406 3.921 0 40 DHAB C[C@H]1CN(C(=S)Nc2cccc3ccccc23)C[C@@H](C)O1 13464873 LJLLROVKLGDIEZ-BETUJISGSA-N 300.427 3.646 0 40 DHAB COc1ccccc1CNC(=S)Nc1cccc(Cl)c1 13815021 CBMHTVCUWVTPPQ-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB Cc1ccc(-c2csc(=S)n2CC(=O)N2CCCC2)cc1 14229557 CUYWDKBPOWYRNP-UHFFFAOYSA-N 318.467 3.877 0 40 DHAB Brc1c(OCC2CCNCC2)ccc2ccccc12 14631487 MLTSICBWAIFESH-UHFFFAOYSA-N 320.230 3.981 0 40 DHAB Cc1nc(Nc2ccc3c(c2)OCCO3)cc(-c2ccccc2)n1 15831944 RPPSLZXTONHOTJ-UHFFFAOYSA-N 319.364 3.967 0 40 DHAB CN1C(=O)CCc2cc(NC(=O)c3ccccc3Cl)ccc21 16916627 PVJVCTZFKOXDDQ-UHFFFAOYSA-N 314.772 3.501 0 40 DHAB CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 19736705 CYRYCSXNDGPERP-UHFFFAOYSA-N 304.777 3.962 0 40 DHAB COc1cc(N)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 20343436 XWDGVGNPBRKDFU-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 20495808 NFGWUPPKWUAVHD-GUYCJALGSA-N 301.361 3.861 0 40 DHAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCCCC1 22245389 NOBMGQPVFQENRH-UHFFFAOYSA-N 315.442 3.846 0 40 DHAB c1ccc(Cn2cnc3c(Nc4ccccc4)ncnc32)cc1 27657993 FEPBHGIVUAXNMS-UHFFFAOYSA-N 301.353 3.618 0 40 DHAB Cc1cccc2c1N[C@H](c1ccccc1Br)NC2=O 28923570 RXEVOSSEZKWEOT-AWEZNQCLSA-N 317.186 3.612 0 40 DHAB CN(Cc1nccn1C(F)F)C(=O)c1cccc2ccccc12 29181306 KSMKHPRUQIIFCR-UHFFFAOYSA-N 315.323 3.704 0 40 DHAB COc1ccc(-c2nnc([C@H](C)N(C)Cc3ccco3)o2)cc1 30276449 JPRLXLPDZCBBLT-LBPRGKRZSA-N 313.357 3.531 0 40 DHAB COc1ccc(SCC(=O)NC2CCCCCC2)cc1OC 30753558 XBHMNWZQZGJVBT-UHFFFAOYSA-N 323.458 3.635 0 40 DHAB O=C(COc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32070440 JLBJIWJYXIQGEG-UHFFFAOYSA-N 320.392 3.738 0 40 DHAB Cc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)cc1F 32781046 SBVROKXGZDGUMM-UHFFFAOYSA-N 306.425 3.519 0 40 DHAB O=C(NCCCSc1ccccc1)NCc1ccccc1 32797228 TYISEOQGOILXTQ-UHFFFAOYSA-N 300.427 3.668 0 40 DHAB Cc1nc(SCc2ccccn2)nc(O)c1Cc1ccccc1 35315928 COIBRRWFCFOAFG-UHFFFAOYSA-N 323.421 3.769 0 40 DHAB COc1ccc(C2=CCN(c3ncnc4ccccc34)CC2)cc1 36392506 OVFGUNDIAXJIBN-UHFFFAOYSA-N 317.392 3.932 0 40 DHAB CCNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 37525389 FKJZZUGBJNXMRN-UHFFFAOYSA-N 302.374 3.640 0 40 DHAB CC(C)c1ccc(OC[C@@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 37530306 SHFCKFJTPRMDBZ-NUJGCVRESA-N 305.462 3.528 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3cccc(F)c3)c2c1 39404115 GZFRRXQFOZBXKF-SOFGYWHQSA-N 322.383 3.988 0 40 DHAB CC(C)c1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 40144034 JWSPTPFXSNVAEM-BDAKNGLRSA-N 321.368 3.969 0 40 DHAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(N(C)C)c1 40159553 SVNSAQPMXNNQSH-UHFFFAOYSA-N 320.795 3.817 0 40 DHAB COc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2)cc1F 44892603 IGHNQHJDBQQLJF-ZDUSSCGKSA-N 316.376 3.737 0 40 DHAB Oc1nc(CN(Cc2cccs2)C2CC2)nc2ccsc12 46512199 XEWSIMFXLKTYHZ-UHFFFAOYSA-N 317.439 3.623 0 40 DHAB O=C(NCCN1CCCCC1)c1sccc1-c1ccccc1 46854733 NLWDGDWWFAKWHY-UHFFFAOYSA-N 314.454 3.631 0 40 DHAB Cc1cc(C)n2cc(CN[C@H](C)c3cccc(Cl)c3)nc2n1 48216273 XVANITGJUQRLLZ-CYBMUJFWSA-N 314.820 3.850 0 40 DHAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3)n[nH]2)cc1 51315385 PPKBCVNKCZNWEE-UHFFFAOYSA-N 307.353 3.728 0 40 DHAB C[C@H](CC[C@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1 58341163 ZXMYTRSBCJPMFG-CZUORRHYSA-N 321.848 3.836 0 40 DHAB CCCC[C@H](CC)CNS(=O)(=O)Cc1ccc(Cl)cc1 59244748 NNNWJMDVNOQUEZ-ZDUSSCGKSA-N 317.882 3.976 0 40 DHAB Cc1nc(CS(=O)(=O)Cc2ccc(C(C)C)cc2)cs1 69628149 ZHHKATTZTUGUJU-UHFFFAOYSA-N 309.456 3.690 0 40 DHAB CN1CC=C(c2nc3ccc(Br)cc3s2)CC1 73638876 RTLVLAZGSRAEDQ-UHFFFAOYSA-N 309.232 3.778 0 40 DHAB Cc1cc(C)nc(SCC(=O)N(C)C2CCCCCCC2)n1 84114593 XCWQBEQPUAYIMO-UHFFFAOYSA-N 321.490 3.757 0 40 DHAB Fc1ccc(CNCCSC(F)(F)C(F)(F)F)cc1 95918329 DKJFAEGONYGVOE-UHFFFAOYSA-N 303.271 3.804 0 40 DHAB CC(C)(C(=O)Nc1cccc(-c2ncc[nH]2)c1)c1ccccc1 95948156 BVFMCMIQYAOIPM-UHFFFAOYSA-N 305.381 3.993 0 40 DHAB COc1ccccc1[C@H](C)CNC(=O)c1cc(C)sc1C 95959450 WPNUXGKIKASHDD-LLVKDONJSA-N 303.427 3.907 0 40 DHAB Cc1noc(C)c1CN1CCC2(CCCN(CC(C)C)C2)CC1 96071843 INRCADLVTSNDSO-UHFFFAOYSA-N 319.493 3.625 0 40 DHAB CCO[C@@H](C)c1nc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)cs1 96417837 WPTXSPQAFVAAKQ-VIFPVBQESA-N 322.434 3.514 0 40 DHAB Cc1noc(C)c1CN(CCCO)[C@@H]1CCCc2ccccc21 96444978 IVIHLOGSWCWYSF-LJQANCHMSA-N 314.429 3.553 0 40 DHAB C[C@@H](NC(=O)N[C@H]1CCCc2sccc21)c1cccnc1 97161940 MZSCKRXXMQLMEF-RISCZKNCSA-N 301.415 3.581 0 40 DHAB CCOC(=O)c1cnc2c(C(F)(F)F)ccc(Cl)c2c1O 103289220 PDLBOHVIPJQJKJ-UHFFFAOYSA-N 319.666 3.789 0 40 DHAB C1CC2(CO1)[C@H]1[C@H]3CC[C@H]4C5C6[C@@H]([C@@H]43)[C@@H]1[C@H]1[C@@H]6[C@@H]3[C@H]5CC[C@H]3[C@H]12 104294464 QUHROFCTPBXVCA-QRGHXZFJSA-N 308.465 3.689 0 40 DHAB C[C@@H]1C2=C([C@@H]3CC[C@@H]2C3)[C@H](C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 104295448 BVKOIAAHCMACRW-FBABHZFISA-N 321.420 3.805 0 40 DHAB CSC[C@H](C)C(=O)N(Cc1ccsc1)c1cccnc1 193516587 KNVWLFIFAUQPIQ-LBPRGKRZSA-N 306.456 3.675 0 40 DHAB COC(=O)c1cc(Cl)c(OCc2cccnc2)c(Cl)c1 216847074 RNOPKZAAURRZLW-UHFFFAOYSA-N 312.152 3.754 0 40 DHAB COc1ccccc1O[C@@H](Cc1c(C)cc(C)cc1C)C(=O)O 225136674 AUYRBEOLGGMSMA-SFHVURJKSA-N 314.381 3.695 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)C1(c2ccccc2)CCOCC1 225191671 GBFTYZVAGCSGIZ-MRXNPFEDSA-N 321.420 3.713 0 40 DHAB CCOc1ccccc1Nc1ccc(C(=O)NC(C)C)cc1N 225431162 IPPASHROWUCATC-UHFFFAOYSA-N 313.401 3.549 0 40 DHAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1cccc(N2CCCC2)c1 245281230 AJSNAFTXUAUQPU-BMGDILEWSA-N 324.424 3.861 0 40 DHAB Cc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)o1 409005554 FSVIVYYCTBPZGQ-PTNGSMBKSA-N 313.378 3.867 0 40 DHAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(F)cc1 409080811 OIYYEEUVZODBJE-PTNGSMBKSA-N 318.417 3.558 0 40 DHAB C[C@H](N[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccccc1 539304037 SVNUVVYEWJEVLF-KSSFIOAISA-N 312.388 3.672 0 40 DHAB O=C(CC1CCC(F)(F)CC1)NCCc1noc2ccccc12 585123935 QOZMSAZCQPJRDQ-UHFFFAOYSA-N 322.355 3.702 0 40 DHAB CC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1C 200826 INOHDTFKLDHVBV-AWEZNQCLSA-N 307.397 3.590 0 40 DHAB CCc1cc2ccccc2nc1SCC(=O)NC1CCCC1 413286 HDOBWCFBRBXORL-UHFFFAOYSA-N 314.454 3.948 0 40 DHAB CC(C)Oc1ccc([C@@H](CCN2C(=O)CCC2=O)C(C)C)cc1 488808 UOXRIYDHORAUPX-KRWDZBQOSA-N 317.429 3.753 0 40 DHAB biogenic O=C(COC(=O)/C=C/c1ccccc1)Nc1ccccc1Cl 1993681 FLTCCSXLTJRIQV-ZHACJKMWSA-N 315.756 3.535 0 40 DHAB CCCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3 2028080 JDLOBSPHOCEVJI-GOSISDBHSA-N 301.386 3.773 0 40 DHAB in-vitro CCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(C)=O 3998994 MHZPOYOBXRFTNM-UHFFFAOYSA-N 323.348 3.733 0 40 DHAB biogenic,in-vitro CCOc1c(Cl)cc(Cl)cc1CNC[C@H]1CCCO1 5019781 XVGXLEKSUXPQER-GFCCVEGCSA-N 304.217 3.661 0 40 DHAB COc1ccc2[nH]c(C)c(C(=O)CN3CCCC[C@H]3C)c2c1 5030359 LSTJUJINCBOIHO-GFCCVEGCSA-N 300.402 3.542 0 40 DHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(F)cc1F 5425619 FPHBQMPJALQZGY-CQSZACIVSA-N 305.349 3.932 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2cccc3ccccc23)cc1 5746251 KRESJXCBBXPZQS-UHFFFAOYSA-N 311.406 3.973 0 40 DHAB O=C(NCc1ccco1)c1ncc(Cl)c(Cl)c1Cl 6560112 LJPPGKHAEVSXAE-UHFFFAOYSA-N 305.548 3.565 0 40 DHAB Cc1ccccc1CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 6788271 BCRITNOUWWGWRE-DJJJIMSYSA-N 314.429 3.632 0 40 DHAB CCOc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 7321788 CSJNPRHRPLQTEX-UHFFFAOYSA-N 323.443 3.690 0 40 DHAB O=C(CSCc1nc2ccccc2s1)Nc1nccs1 7654827 XCRREEPAUFZTLV-UHFFFAOYSA-N 321.452 3.625 0 40 DHAB O=C(CCCOc1ccccc1)NCc1ccccc1Cl 7814845 UVSYSQFOBFJTPU-UHFFFAOYSA-N 303.789 3.815 0 40 DHAB CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1C 9360145 FFINVWZMVIUUPN-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB Cc1cc(C(=O)NCCSCc2ccccc2F)c(C)o1 9457445 OETRUJJSJOVENF-UHFFFAOYSA-N 307.390 3.699 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cccc2cccnc12 12186459 WPKKFFLMEUMDPA-APWZRJJASA-N 316.408 3.595 0 40 DHAB Cc1ccc(-c2nc(N3CCCC3)ncc2-c2ccncc2)cn1 12232719 RTFRVEQEFWWVDR-UHFFFAOYSA-N 317.396 3.509 0 40 DHAB CONC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 12764792 YDEYONHZZCQPAE-UHFFFAOYSA-N 318.785 3.908 0 40 DHAB C[C@H](OC(=O)c1ccoc1)C(=O)C12CC3CC(CC(C3)C1)C2 12768475 BTIODYJBOIEYBV-IWERZKIRSA-N 302.370 3.610 0 40 DHAB Cc1cccc2sc(C(=O)NC3=NCCS3)c(Cl)c12 12891971 SLRXIFGYUVGPOT-UHFFFAOYSA-N 310.831 3.696 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2)c1 12908296 YJPGQTXYGRSLNG-KRWDZBQOSA-N 315.438 3.829 0 40 DHAB O=C(Nc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 12945069 ACQSXEOCJXSOJT-UHFFFAOYSA-N 307.271 3.893 0 40 DHAB Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1cccc2ccccc12 12981014 JQYRBGQNDARFCI-LBPRGKRZSA-N 307.397 3.681 0 40 DHAB C[C@@H]1CCc2sc3ncn4c(-c5cccnc5)nnc4c3c2C1 13732619 ULEKHQUWMICTOR-SNVBAGLBSA-N 321.409 3.526 0 40 DHAB O=C(Nc1cccc(Br)c1)c1ccc(F)c(F)c1 19505969 UUTGAXBRYNMOSB-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CCN(C(=O)c1ccc(F)cc1)[C@H]1CN(C)C2(CCCCC2)C1 19695607 GSBYHCYWDRLEBU-QGZVFWFLSA-N 318.436 3.695 0 40 DHAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1OC 21836802 KDASTRCDVPULDW-LBPRGKRZSA-N 317.360 3.676 0 40 DHAB CN(C)[C@H](CNC(=O)Nc1cccc(Cl)c1)c1cccs1 23105517 IJENMLOGUNJOJA-CYBMUJFWSA-N 323.849 3.826 0 40 DHAB O=C(C[C@@H]1C=CCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 25841874 ZEEICKIQJUIPRN-CQSZACIVSA-N 309.413 3.625 0 40 DHAB COc1c(N)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N 26509081 XBAFKAMOONZMIX-UHFFFAOYSA-N 324.167 3.975 0 40 DHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1Cl 27846651 LZIRGUAJHDHHEE-CQSZACIVSA-N 314.816 3.596 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNC1CCCCC1 28297072 PLHYIUNCCAEPCC-SFHVURJKSA-N 314.473 3.850 0 40 DHAB COc1ccc(-c2nc(COc3ccc(Cl)cc3)no2)cc1 31676116 BACNHADSMHDMHX-UHFFFAOYSA-N 316.744 3.978 0 40 DHAB CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1Cl 32755109 QYDCCIXMCSZBNW-SNVBAGLBSA-N 307.818 3.582 0 40 DHAB C[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 32765550 SZQADIPGYOGFQF-CQSZACIVSA-N 309.413 3.622 0 40 DHAB CSc1ccccc1NC(=O)c1ccc(NC(C)=O)s1 32865933 JVTPPNIBJDAYQO-UHFFFAOYSA-N 306.412 3.681 0 40 DHAB C[C@@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1 32913873 UCIMWEZGZDNPGY-AWEZNQCLSA-N 323.371 3.545 0 40 DHAB CCC(CC)c1nnc(NC(=O)c2cc(Cl)ccn2)s1 36779290 OXCDBFZLBSQSCV-UHFFFAOYSA-N 310.810 3.742 0 40 DHAB O=C(Nc1ccccc1-n1cccn1)c1ccc2ccccc2n1 40088488 ZNGMYBQDOCGXOL-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB Cc1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)oc1C 49982940 LNBAAFNEJWEAGE-AWEZNQCLSA-N 306.431 3.534 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@H](C)c1cccnc1 57030741 KANXXTMBVVOREA-HOCLYGCPSA-N 324.424 3.778 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2cnn(-c3ccccc3)n2)o1 58133734 HCKAXWOAKPHTDS-KSSFIOAISA-N 322.412 3.616 0 40 DHAB CC(C)=CC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 58419470 BBRWGFMGGLJYMQ-IBGZPJMESA-N 319.408 3.745 0 40 DHAB Cc1cc(CNC(=O)N(C)CCc2cccc3ccccc23)on1 69596001 RHHCCRXHBAIQER-UHFFFAOYSA-N 323.396 3.520 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2cc(C)ccc2F)c1 71325942 BXQJPHXGDKKKBT-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CN(C)C1CCN(C(=O)c2sccc2-c2ccccc2)CC1 71846617 LHRLWMVOWYTTEE-UHFFFAOYSA-N 314.454 3.581 0 40 DHAB CN(C)c1cc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)ccn1 71935249 BSBJAFKJROXWGJ-IBGZPJMESA-N 323.440 3.809 0 40 DHAB CNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72212472 UVWPGTNVXQUVCJ-MRXNPFEDSA-N 311.385 3.597 0 40 DHAB Cc1ccnc(-c2ccc(NC(=O)/C=C/c3cscn3)cc2)n1 75139113 AEYGQYCLEVWQGX-VOTSOKGWSA-N 322.393 3.560 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)N[C@H](CO)c1ccccc1 78521933 YOJXKSUOCAPDDG-QGZVFWFLSA-N 312.413 3.839 0 40 DHAB C[C@@H](Oc1ccccc1NC(=O)[C@H]1CCCO1)c1ccccc1 79360318 AFBPGPBLZDLZCW-RDTXWAMCSA-N 311.381 3.944 0 40 DHAB COC(=O)c1ccc([C@H](C)N(C)Cc2ccc(Cl)s2)o1 84651700 TWRLNSUYMZVCJS-VIFPVBQESA-N 313.806 3.974 0 40 DHAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 84651713 VUKISEOFLRYWCN-SECBINFHSA-N 323.801 3.664 0 40 DHAB COc1ccccc1[S@](=O)Cc1ncc(-c2cccs2)o1 85233464 DAOJNMRMGWBBHM-NRFANRHFSA-N 319.407 3.720 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc(N(C)C(C)C)c1 89869359 OJSMELKSQJRIIZ-UHFFFAOYSA-N 301.394 3.515 0 40 DHAB O=C(N1CCC[C@H](c2ncc[nH]2)C1)C1(Cc2ccccc2)CCC1 95411722 DKYXWYNRQADHKH-KRWDZBQOSA-N 323.440 3.529 0 40 DHAB CC(=O)Nc1ccc(CNc2cc(CN(C)C)ccc2C)cc1 95429319 GTSWVYDJCZTZMJ-UHFFFAOYSA-N 311.429 3.627 0 40 DHAB CC[C@@H](Nc1nc(C(F)F)nc2ccccc12)c1nc(C)n[nH]1 95963263 WYDDSFDCUORFOT-SNVBAGLBSA-N 318.331 3.557 0 40 DHAB O=C(Nc1ccc2c(c1)CNCC2)c1cc(F)c(F)cc1Cl 95971613 XUQSIFNOKTYGJG-UHFFFAOYSA-N 322.742 3.516 0 40 DHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@H]1CC1(Cl)Cl 96972083 ZLKKULKDXSRPGR-OEXLFXSVSA-N 316.272 3.855 0 40 DHAB Cc1cccc2cc(C(=O)Nc3ccc4c(c3)OCCO4)oc12 148067500 GNKOHUTUQHLECK-UHFFFAOYSA-N 309.321 3.765 0 40 DHAB COc1ccc2c(c1)c(C=O)cn2C(=O)OCc1ccccc1 199813391 CGWIQRVZQABQCI-UHFFFAOYSA-N 309.321 3.647 0 40 DHAB O=C(Nc1ccn2nccc2c1)c1csc(-c2ccccc2)n1 217951566 QRJMZZRCTRGGFD-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB O=C(COc1ccccc1F)NCCCc1ccc(Cl)cc1 222775662 ASCZSVIZXVTBSY-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB COc1ccc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)cc1 225071563 XANOGVNWJLRVAU-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)Cc1ccccc1Cl 225439695 BCYPKWXSEAUJIL-CQSZACIVSA-N 317.816 3.775 0 40 DHAB C[C@H](NC[C@H](O)COCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 252505363 LPUMTQRKKILSNT-HNULKUCHSA-N 317.473 3.541 0 40 DHAB Cc1csc(-c2cc(C3CCN(C(C)C)CC3)nc(C)n2)n1 257227795 FQXSVWKSMKVCFS-UHFFFAOYSA-N 316.474 3.805 0 40 DHAB O=C(c1ccsc1)N1CCC(OCCc2ccccc2)CC1 390833836 NTDPCGJRHXUGIF-UHFFFAOYSA-N 315.438 3.612 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCCC2)cc1 408677594 SGULGJKGHBOFOT-UHFFFAOYSA-N 324.468 3.985 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCC1=CCCCC1 408706483 ZMERWXGQVVNRIH-GOSISDBHSA-N 317.429 3.859 0 40 DHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccsc1 1888941678 GFOXPBGEUBLPAQ-NSHDSACASA-N 319.407 3.533 0 40 DHAB O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)c2ccco2)c1 277355 FXIZZQOYPHTUCJ-CMDGGOBGSA-N 322.320 3.777 0 40 DHAB COc1ccc(CC(=O)Nc2nc3ccc(C)cc3s2)cc1 1016981 CKZVBNXFMLGIBX-UHFFFAOYSA-N 312.394 3.795 0 40 DHAB C[C@@H](Oc1c(Cl)cccc1Cl)c1ccnc2ncnn12 1404243 KQQQYNPEJRVKFN-MRVPVSSYSA-N 309.156 3.571 0 40 DHAB CCN(CC)CCOC(=O)c1ccccc1Nc1ccccc1 1697196 ZECKUXDOHUSRDY-UHFFFAOYSA-N 312.413 3.929 0 40 DHAB CCOC(=O)C(CC(=O)c1ccccc1)CC(=O)c1ccccc1 2272026 MTIMBQNXDPSWLS-UHFFFAOYSA-N 324.376 3.712 0 40 DHAB COC(=O)CSCCc1nc(-c2ccc(C)cc2C)cs1 2383510 GJBBRTXGXPZWNI-UHFFFAOYSA-N 321.467 3.876 0 40 DHAB CCN1CCc2c(OCc3ccc(Cl)cc3)cccc2C1=O 2716280 XGIPEADVLDQFTE-UHFFFAOYSA-N 315.800 3.937 0 40 DHAB COc1ccc2c(CC(=O)N[C@H](C)c3ccccc3)coc2c1 3524896 ZREIRMCPBFQWHQ-CYBMUJFWSA-N 309.365 3.861 0 40 DHAB COCCn1cc(NC(=O)NC2CCCCC2)c2ccccc21 5266369 LPGDOBWLSXQCKA-UHFFFAOYSA-N 315.417 3.742 0 40 DHAB Cc1cc(NC(=O)COc2ccccc2Cc2ccccc2)no1 5294707 OYQUZSPEFXWUBI-UHFFFAOYSA-N 322.364 3.591 0 40 DHAB Oc1ccc(Nc2ncc(-c3nc4ccccc4o3)cn2)cc1 5741303 ZUUWFEQISMUCDO-UHFFFAOYSA-N 304.309 3.734 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 6307070 BOPKAHUONIEPIW-FZKQIMNGSA-N 311.381 3.979 0 40 DHAB O=C(CCC1CCCC1)NCc1ccc(CN2CCCC2)cc1 6847187 ZTBXNMZFVRLFMB-UHFFFAOYSA-N 314.473 3.869 0 40 DHAB CCCCOc1ccc(C(=O)Nc2nccs2)cc1OCC 6943133 QNFAVJYPHGJPIL-UHFFFAOYSA-N 320.414 3.973 0 40 DHAB C[C@H](NC(=O)CN1CCCCCC1)c1ccc2c(c1)CCCC2 7339557 JZUWDUVBWPEOBN-INIZCTEOSA-N 314.473 3.619 0 40 DHAB Cc1cccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 7424971 AYDXWLSJKRFHOS-QGZVFWFLSA-N 307.397 3.998 0 40 DHAB CN(CCOc1ccccc1)C(=S)Nc1ccccc1F 7660688 ZIEWGQYTQBQQPH-UHFFFAOYSA-N 304.390 3.533 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(F)c1 7944890 JZJUHMYIOJPHHS-GOSISDBHSA-N 324.355 3.728 0 40 DHAB CC(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 8014195 GTQAWTGUFGEBSY-LBPRGKRZSA-N 324.380 3.782 0 40 DHAB CC[C@@H](C)c1ccc(N[C@H](C)C(=O)Nc2cc(C)on2)cc1 9368114 GPGXXEQUWIPAQP-DGCLKSJQSA-N 301.390 3.936 0 40 DHAB COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 10295388 YKBWQRQKMYEYGK-LBPRGKRZSA-N 315.394 3.593 0 40 DHAB COc1cccc2cc(C(=O)Nc3cc(C)nn3C(C)C)oc12 11695211 XQVAHQPBMKIYLM-UHFFFAOYSA-N 313.357 3.780 0 40 DHAB Cc1c(C(=O)NC2CCCCCC2)cnn1-c1ccccc1F 12878189 PDGGHCGTLBSDJY-UHFFFAOYSA-N 315.392 3.772 0 40 DHAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(F)cc1F 12902561 DDLVKRZWIVBCDB-UHFFFAOYSA-N 308.353 3.943 0 40 DHAB Cc1ccc(Cl)c(OCc2cc(=O)n3cccc(C)c3n2)c1 12981579 FUTHGESRKUYPLK-UHFFFAOYSA-N 314.772 3.544 0 40 DHAB OCc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 14119802 GDUYMIOLIWCKIO-UHFFFAOYSA-N 304.349 3.837 0 40 DHAB Cc1cc(C)cc(C(=O)NCC2(N(C)C)CCCCCC2)c1 14903402 RTSAKYDQNUKHQU-UHFFFAOYSA-N 302.462 3.688 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2Cl)cc1 15331031 ZFBIFKVWOGRILH-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 15421537 UTUAJKBVMVMPNU-LBPRGKRZSA-N 314.410 3.764 0 40 DHAB O=C(NCCC1=CCCCC1)c1cncn1-c1ccc(F)cc1 17335077 URYSDMOFTJBTME-UHFFFAOYSA-N 313.376 3.632 0 40 DHAB O=C(COc1ccccc1)Nc1cccc(CN2CCCCC2)c1 27143655 IPWAFAJSBYJSDN-UHFFFAOYSA-N 324.424 3.690 0 40 DHAB N#Cc1ccc(CSc2nnc3[nH]c4ccccc4n23)c(F)c1 29808142 YZDNZEKAXQPLOB-UHFFFAOYSA-N 323.356 3.514 0 40 DHAB COc1ccccc1CNC(=O)c1cc(-c2ccc(C)cc2)no1 32833209 ZOANHWJENSGLFQ-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB Cc1ccc(-c2ncc(S(=O)(=O)c3ccc(C)cc3)o2)cc1 35681819 GHJOQMKTFUHPOD-UHFFFAOYSA-N 313.378 3.791 0 40 DHAB CCc1ccccc1N1C(=O)C[C@H](Nc2cc(C)ccc2C)C1=O 36635542 KCCDTHIYPFATQG-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB CC(C)c1cc(Br)ccc1OC[C@H]1CCCNC1 42774637 HRROSGWUNZJLIU-LBPRGKRZSA-N 312.251 3.951 0 40 DHAB CCCCC[C@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 44087420 GKSDKESIPVYQOK-LBPRGKRZSA-N 302.378 3.827 0 40 DHAB CCCCS(=O)(=O)N[C@H](C)c1ccc(Cl)cc1Cl 46704943 KBTJOTBWXRYEPL-SECBINFHSA-N 310.246 3.774 0 40 DHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCCn1cccn1 50310724 JTPKWSUKJOQMEL-CQSZACIVSA-N 311.385 3.629 0 40 DHAB O=C(NC1CCCCC1)N[C@@H]1CCSc2ccc(F)cc21 52816754 VFNFSBWJNCVEEL-CQSZACIVSA-N 308.422 3.995 0 40 DHAB CCOc1ccccc1CNC(=O)c1ccc(F)cc1Cl 53163310 LKUFGDUJYHZBLO-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccncc2)C1 55211431 DMCCRKSFCVCRFI-HNNXBMFYSA-N 300.427 3.546 0 40 DHAB Cc1cc2n(n1)C[C@@H](CN[C@H](C)c1oc3ccccc3c1C)CN2 58308402 CEQFVOVFSWDWSY-CABCVRRESA-N 324.428 3.639 0 40 DHAB Cc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1Cl 62204656 YOSKDRQREGWLHT-UHFFFAOYSA-N 322.836 3.674 0 40 DHAB Cc1nccn1-c1ccccc1CNc1nc2ccccc2o1 65609940 DEVBJCYMBBPZIX-UHFFFAOYSA-N 304.353 3.934 0 40 DHAB CCOP(=O)(OCC)[C@@]1(CCc2ccccc2)CCCN1 65740227 CXXMSYDQTYFTPW-MRXNPFEDSA-N 311.362 3.965 0 40 DHAB in-vitro COc1cc(/C=C(\C)c2noc(-c3ccccc3O)n2)ccc1O 66087432 LQYRBDHQELGEIR-PKNBQFBNSA-N 324.336 3.717 0 40 DHAB COc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1OC 67788105 FQKHABDCJRJISB-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB C[C@H](NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)CO2 69558222 BTXUIIWDSAVFBR-NSHDSACASA-N 316.788 3.522 0 40 DHAB COc1cc(NC(=S)Nc2ccc(C)cc2F)cc(OC)c1 71326059 YTCVLRRMYBXYQA-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CC[C@H](C)CC[C@@H]1C(C)C 71910110 BLQIUAXZJDITEM-CXAGYDPISA-N 306.450 3.897 0 40 DHAB O=C(NCCC1=CCCCC1)Nc1ccn(Cc2ccccc2)n1 71943507 WHHLGKPSTAQNEJ-UHFFFAOYSA-N 324.428 3.943 0 40 DHAB CCc1nc(CN[C@H]2CCCc3c2cnn3C(C)(C)C)cs1 72274463 HFNPMQLBUBBPKV-AWEZNQCLSA-N 318.490 3.824 0 40 DHAB C[C@H](OC1CCCC1)C(=O)N1CCCC[C@@H]1c1nccs1 72285925 NOBMMSFYAUIWLE-GXTWGEPZSA-N 308.447 3.544 0 40 DHAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(-c2cncnc2)cc1 73250472 QKFUZQVRMYNEJU-PBHICJAKSA-N 307.397 3.677 0 40 DHAB O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(F)c1Cl 79602629 DIAFPJGLXWNGAU-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB COc1cc(C)c(CN[C@@H](c2ccccn2)C(C)C)cc1OC 83471037 NUHANLCHYGFPKZ-LJQANCHMSA-N 314.429 3.894 0 40 DHAB C[C@@H]1CN(CCNCc2cccc(-c3ccccc3)c2)C[C@@H](C)O1 84706322 ZBMDBHYASIVXSV-QZTJIDSGSA-N 324.468 3.552 0 40 DHAB CCOC(=O)CCCCOc1ccc(Br)c(F)c1 95738530 NJONHLJFHGRSMU-UHFFFAOYSA-N 319.170 3.700 0 40 DHAB CC1(C)C[C@H](NC2CCN(C3CC3)CC2)c2ccccc2O1 95967056 UBBBNDQTVXGESI-KRWDZBQOSA-N 300.446 3.505 0 40 DHAB Cc1ccc(C(=O)N2CCC3(CCc4ccccc43)CC2)cn1 96161179 LRVNHAQZBPZCBP-UHFFFAOYSA-N 306.409 3.510 0 40 DHAB C/C(=C\C(=O)N1CCC[C@@H]1c1cc(C)on1)c1ccc(F)cc1 96291643 UONXCUTZAFJTHB-DPCFLFMUSA-N 314.360 3.889 0 40 DHAB CN(Cc1coc(-c2ccccc2)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 96443457 SXCQNQHUJDUUMR-BBWFWOEESA-N 312.413 3.587 0 40 DHAB COCc1ccc(C(=O)Nc2cc(C(C)=O)ccc2Cl)cc1 96475320 NYOIHHCTRGLGOZ-UHFFFAOYSA-N 317.772 3.941 0 40 DHAB C[C@H](Nc1ccc(CCS(C)(=O)=O)cc1)c1ccc(F)cc1 97232317 TWVIFLVXVLFAOU-ZDUSSCGKSA-N 321.417 3.586 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]2CCCC[C@H]21 167106947 QRNACKXLZPQDKE-IUODEOHRSA-N 313.850 3.683 0 40 DHAB CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 169763800 ZTBMOOKXITVSAM-LNKGRISISA-N 309.409 3.805 0 40 DHAB Cc1ccccc1C(=O)NCc1cccc(CN2CCCCC2)c1 224642623 OMQZYQUZPVTKLS-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB CCCCOCc1cc(C(=O)NC(C)(C)C)ccc1OCC 224723693 ZNOGAHGZPWTQRI-UHFFFAOYSA-N 307.434 3.930 0 40 DHAB COc1ccc(CC(=O)NCCCc2ccc(C)cc2)cc1C 224975095 VCJPNYDXLKAKME-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB Cc1ccc(SCCNC(=S)Nc2ccc(C)cn2)cc1 225287292 UYDKPTGYBUAFRM-UHFFFAOYSA-N 317.483 3.777 0 40 DHAB COc1ccc(CC(=O)c2c[nH]c3ccc(F)cc23)cc1OC 228978359 NCMZWJNOLCWWNB-UHFFFAOYSA-N 313.328 3.750 0 40 DHAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCC[C@@]31C2 257212191 CCHNBKCQWULBML-YFYQMDMQSA-N 319.489 3.913 0 40 DHAB Cc1csc(C(=O)N2CCC[C@@H]2CCc2ccncc2)c1 257324327 WOEFOBCCYXYLTE-OAHLLOKOSA-N 300.427 3.689 0 40 DHAB c1cc(Cn2ccnc2)cc(-c2noc(-c3ccsc3)n2)c1 390834343 WVWUXWFGJHIHKN-UHFFFAOYSA-N 308.366 3.710 0 40 DHAB CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CSC2 189438 DARGJZAGKUHNNF-UHFFFAOYSA-N 307.444 3.699 0 40 DHAB COc1ccc2nccc(C[C@@H](O)C(Cl)(Cl)Cl)c2c1 1596757 ZCRUVFSJUVJMSI-GFCCVEGCSA-N 320.603 3.517 0 40 DHAB CCCN(CCC)C[C@H](O)c1ccc(Br)cc1 1599082 QTESLTIBJCSSBB-AWEZNQCLSA-N 300.240 3.605 0 40 DHAB CCOc1ccccc1OCCCC(=O)Nc1ncc(C)s1 2661312 MAFXGADKTCLACK-UHFFFAOYSA-N 320.414 3.648 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]21 4697173 GTTMLWKWWDNIDO-DACLVMHWSA-N 307.393 3.561 0 40 DHAB COC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5374019 HSNPWYWASJSTKL-UHFFFAOYSA-N 316.382 3.519 0 40 DHAB COCc1cc(O)n2nc(-c3ccc(Cl)c(Cl)c3)cc2n1 5701589 CJKFECMEGNPCJT-UHFFFAOYSA-N 324.167 3.555 0 40 DHAB C[C@H]1CCCCN1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 6007991 BCFVDPZYAPIOHZ-DOTOQJQBSA-N 305.462 3.598 0 40 DHAB O=C(Cc1ccccc1Cl)Oc1ccc2ccc(=O)oc2c1 6236444 XTHRZBIEMFBILF-UHFFFAOYSA-N 314.724 3.595 0 40 DHAB O=C(CSC/C=C/c1ccccc1)NCc1cccs1 7150334 XZURJMRYYPGXKG-XBXARRHUSA-N 303.452 3.811 0 40 DHAB Cc1cc2nc(N(C)Cc3ccccc3)c3ccccc3n2n1 7779336 VACXEGBHIFJWDR-UHFFFAOYSA-N 302.381 3.827 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccoc1C 7849950 ILQPAPZZWDUSLK-GFCCVEGCSA-N 311.337 3.806 0 40 DHAB COc1ccc(-c2nnc3sc(-c4cccc(C)c4)nn23)cc1 8715072 QSWDQORZJDICTN-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 8753974 ZXQZRSVQRRSGJN-OAHLLOKOSA-N 306.409 3.848 0 40 DHAB biogenic Clc1cc(Cl)c2nnc(SCc3ccccn3)n2c1 8780255 AGDNKPUMGQADBQ-UHFFFAOYSA-N 311.197 3.723 0 40 DHAB O=C(NOCc1ccccc1)c1ccc(CN2CCCCC2)cc1 8993935 SIYLJVNALDVJFM-UHFFFAOYSA-N 324.424 3.534 0 40 DHAB CC(C)OCCCNCc1c[nH]nc1-c1ccc(Cl)cc1 9834721 LCYOQHSOCPVHOY-UHFFFAOYSA-N 307.825 3.635 0 40 DHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccccc3F)oc2c1 11914565 OPPIDSROVSKVOY-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB CC(C)c1nnc2sc(-c3ccc(Br)cc3)nn12 12322205 SKKGYPRFFOETST-UHFFFAOYSA-N 323.219 3.739 0 40 DHAB Cc1ccc(NC(=O)c2ccc(F)cc2Br)nc1 12527856 HVTCQYZWUOFZAI-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB O=C(Nc1ccc2c(c1)CCO2)c1ccc(Br)cc1 12943269 RKJAOGQTYIFEJW-UHFFFAOYSA-N 318.170 3.636 0 40 DHAB CC(C)OCCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14399765 VKQHXTACPNSCCM-OAHLLOKOSA-N 321.461 3.683 0 40 DHAB Cc1ccc(CN2CCCN(c3cccc(C(=O)O)c3)C2=O)cc1 15414067 YFMHSJRRTFLOOC-UHFFFAOYSA-N 324.380 3.526 0 40 DHAB O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 16741957 YLSUVUJDITZKMK-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB c1cc(-c2noc([C@H]3CCN(CC4CCCCC4)C3)n2)ccn1 19405874 AATCIHJDOVYKNY-INIZCTEOSA-N 312.417 3.501 0 40 DHAB CC(=O)c1ccc(SCC(=O)NC2CCC(C)CC2)c(F)c1 24019467 UDZRMGGXGGGVHT-UHFFFAOYSA-N 323.433 3.815 0 40 DHAB COc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1C 27664361 JLKKQFZCARJLAR-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCCCc1nnc(NC(=O)[C@H]2Cc3ccccc3S2)s1 32878939 RARMECAXJZEGJE-GFCCVEGCSA-N 319.455 3.536 0 40 DHAB CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1OC 32975220 XWIQKNBYGSZDCD-CYBMUJFWSA-N 311.381 3.685 0 40 DHAB COc1ccccc1CNC(=O)C1=Cc2ccc(C)cc2OC=C1 33324423 FCLCWFVGONZQFX-UHFFFAOYSA-N 321.376 3.610 0 40 DHAB COc1cc(OC)c(NC(=O)N2CCC[C@@H](C)C2)cc1Cl 40103516 RIDOQBGQWLYHLJ-SNVBAGLBSA-N 312.797 3.621 0 40 DHAB C#C[C@]1(O)C=C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21CC 44960201 SIGSPDASOTUPFS-QHOCJJNXSA-N 310.437 3.659 0 40 DHAB biogenic,in-vitro COCCN(Cc1ccccc1)C(=O)c1cc2ccccc2o1 45671878 FNVZHNBBFBLLDB-UHFFFAOYSA-N 309.365 3.722 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)n[nH]2)cc1 51315540 JGBDLISNIIRAKH-UHFFFAOYSA-N 307.353 3.646 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)C2CCN(CC(C)C)CC2)s1 57360925 WVQSTNACBAWGLI-CQSZACIVSA-N 308.491 3.602 0 40 DHAB C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 57411284 HINFCUOERTUGCP-INIZCTEOSA-N 323.440 3.576 0 40 DHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cn(C)c2ccccc12 58381786 YPDXIODYFFMNDK-KBXCAEBGSA-N 314.429 3.503 0 40 DHAB CCN(Cc1ccccc1)C(=O)CCc1c(C)noc1Cl 66042359 FTBRNNFCMMOPCR-UHFFFAOYSA-N 306.793 3.618 0 40 DHAB CC(C)Oc1ccc(Cl)cc1-c1noc([C@H]2CCCCN2)n1 72209131 QHWMBKNRXCSAAF-CYBMUJFWSA-N 321.808 3.992 0 40 DHAB C[C@H]1CCCCN1C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 72243374 XBZDNODQYWMHQJ-VIFPVBQESA-N 311.307 3.596 0 40 DHAB COc1cc(Cl)ccc1C(=O)N[C@H]1CCc2ccccc21 72331762 UDHQMIGTKHVOGP-HNNXBMFYSA-N 301.773 3.766 0 40 DHAB Cc1nc(CCC(=O)Nc2ccnn2[C@H](C)CC(C)C)cs1 79039106 OLQNYRLIRQVDTB-GFCCVEGCSA-N 320.462 3.826 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](CSCc2ccccn2)C1 79440886 SMVUZOPZDHZCPB-AWEZNQCLSA-N 322.474 3.962 0 40 DHAB COc1cc(C)c(CN[C@@H](C)c2nc(C)cs2)cc1OC 83454990 RSRRYQAFOTYSAA-LBPRGKRZSA-N 306.431 3.628 0 40 DHAB O=C(CC1(O)CCCCC1)NCCc1ccc2ccccc2c1 84605856 OMGRXKNSANJZRY-UHFFFAOYSA-N 311.425 3.584 0 40 DHAB CC(=O)Nc1ccc(C)c(NCc2c[nH]c(-c3ccccc3)n2)c1 95428526 UBMOIFUAFGDRBE-UHFFFAOYSA-N 320.396 3.956 0 40 DHAB Fc1ccc(Cl)cc1CNc1cccc(Cn2cnnc2)c1 95435702 RTEGPVITHPCQFD-UHFFFAOYSA-N 316.767 3.731 0 40 DHAB COc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)cc1 96222954 MPUKEBXCPVKDAD-SFHVURJKSA-N 320.392 3.984 0 40 DHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccco1 96232138 KKUJJBZIBASEAW-OAHLLOKOSA-N 310.353 3.577 0 40 DHAB COC(=O)C[C@@H](C)Sc1nc(C(F)F)nc2ccccc12 96406554 SYGCCGLAESFAPS-MRVPVSSYSA-N 312.341 3.611 0 40 DHAB COc1cccc(-c2cnc(CSC3=NCCS3)o2)c1 96424803 BAAPSNYTHCODJI-UHFFFAOYSA-N 306.412 3.686 0 40 DHAB COc1ccc(C[C@@H](C)N[C@@H](C)c2ncc(C)s2)cc1OC 97017230 YCFROBBDZUUCHR-YPMHNXCESA-N 320.458 3.751 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4cccc(Cl)c4)C[C@@H]1CC[C@]23C 101780176 CQZAMSSVBQSDID-UQCMEYCASA-N 305.805 3.874 0 40 DHAB O[C@@]12CCCC[C@H]1CN(Cc1cccc(C(F)(F)F)c1)CC2 108357080 QMLUMZVJISHTKV-JKSUJKDBSA-N 313.363 3.832 0 40 DHAB C[C@H](NC(=O)COc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108869730 ONTIKEHAUCIUQA-QCQGSNGOSA-N 307.821 3.660 0 40 DHAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2C[C@@H]1O 118929786 GKHMLMUXODLNKN-ZPPBZJDISA-N 306.490 3.997 0 40 DHAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H](c2nccs2)C1 171644398 KRHFAPFACJGTGB-LBPRGKRZSA-N 318.467 3.713 0 40 DHAB COc1ccc2c(c1)[C@H](NC1C[C@@H](C)O[C@H](C)C1)CCS2 191539698 PQWJKURQAPWBOT-XHBSWPGZSA-N 307.459 3.778 0 40 DHAB CCc1ccc(CC)c(CNC(=O)COc2ccccc2C)c1 222821181 MKBFHUORIMDNBF-UHFFFAOYSA-N 311.425 3.815 0 40 DHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 222858100 IHBOCHJAKMDBAL-KBPBESRZSA-N 303.456 3.526 0 40 DHAB Cc1ccccc1CNC(=O)[C@H](C)Oc1cccc2c1CCCC2 223261833 QIQNKNDOHQFXPP-INIZCTEOSA-N 323.436 3.958 0 40 DHAB COc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225885087 MAYCLJURZBEUDA-UHFFFAOYSA-N 322.449 3.815 0 40 DHAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)n1 257251336 JQIUARBLKQEYAD-AWEZNQCLSA-N 323.396 3.793 0 40 DHAB CCc1cccc2c1OCC[C@@H]2NC(=O)C(C)(C)c1cccnc1 332198643 ZYYLBERLEMSPRH-KRWDZBQOSA-N 324.424 3.562 0 40 DHAB CCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1OCC 409377695 KMVXUIYCRVRJCV-UHFFFAOYSA-N 311.809 3.764 0 40 DHAB Cc1cc(OC[C@H]2CCCN(c3nc4ccccc4o3)C2)ccn1 1888888422 ZEXHQTUTGOTJST-HNNXBMFYSA-N 323.396 3.827 0 40 DHAB Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(C)c1 62106 ZJSKRGBOTLTOAM-UHFFFAOYSA-N 311.410 3.911 0 40 DHAB CCCn1c(SCC(=O)c2ccccc2)nnc1C(C)C 412349 BLPHQYRRCNNXER-UHFFFAOYSA-N 303.431 3.787 0 40 DHAB Cc1ccc2nc(SCC(=O)N3CCCC3)c(C)cc2c1 418085 CGYJNVOYCRHVHZ-UHFFFAOYSA-N 300.427 3.566 0 40 DHAB CC(C)(C)C1=Nn2c(nnc2-c2ccccc2Cl)SC1 527198 KWFBAOFHQNDVIL-UHFFFAOYSA-N 306.822 3.954 0 40 DHAB Cc1ccc(CSC2=Nc3ccccc3C3=NC(=O)CN23)cc1 1389975 BGCMRVYUUBZKTN-UHFFFAOYSA-N 321.405 3.518 0 40 DHAB Cc1ccccc1NC(=O)COc1cccc(Br)c1 1473209 SVJHAZFZKMGJGA-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB C[C@@H](CCc1cn(C)c2ccccc12)NC(=O)c1cccs1 3765553 YEJPEPLNRSQTNI-ZDUSSCGKSA-N 312.438 3.991 0 40 DHAB Cc1noc(C)c1CSc1nnc(-c2ccccc2F)n1C 4947070 FDOYMZWHUORHBE-UHFFFAOYSA-N 318.377 3.518 0 40 DHAB CCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5218245 CSFSBBSLGDYJQJ-WDSOQIARSA-N 319.420 3.821 0 40 DHAB CCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 5459599 HYRJUEHHYMTYKK-UHFFFAOYSA-N 309.431 3.932 0 40 DHAB O=C(Nc1ccccc1Br)c1cccnc1Cl 6336929 FSQRAWNPQMRRIW-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB CN(CCOc1ccccc1)C(=O)CCc1c[nH]c2ccccc12 6561699 JCPNUGIZUNQGMB-UHFFFAOYSA-N 322.408 3.638 0 40 DHAB CN1c2ccccc2C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 6831192 UNWDUXZVYCHCKM-CQSZACIVSA-N 306.287 3.584 0 40 DHAB CCCCc1ccc(NC(=S)NC[C@H]2CCCN2CC)cc1 7561252 OYXBBJFZVIRYGN-QGZVFWFLSA-N 319.518 3.800 0 40 DHAB COc1ccc([C@@H](NC(=O)Cc2ccccc2F)C(C)C)cc1 7923060 XDBYIBJVWUCZOK-IBGZPJMESA-N 315.388 3.890 0 40 DHAB O=C(c1cccnc1)N1CCC(c2nc3ccccc3s2)CC1 8086310 OBNXDUIQJAHRDV-UHFFFAOYSA-N 323.421 3.711 0 40 DHAB O=C(NC1CC1)[C@H](Oc1ccccc1Cl)c1ccccc1 8291107 DDKTVRQBUPJUKQ-MRXNPFEDSA-N 301.773 3.739 0 40 DHAB Cc1cc(NC(=O)Nc2ccc(N3CCCCC3)cc2)no1 8707064 WYYYLUJHBPDRDE-UHFFFAOYSA-N 300.362 3.617 0 40 DHAB CCN(CC)c1ccc2nc(C)c(CN3CCCC3)c(O)c2c1 8717363 QUFJLXDXONWJSZ-UHFFFAOYSA-N 313.445 3.691 0 40 DHAB CCCCN1C(=O)CCc2cc(NC(=O)C3CCCC3)ccc21 9136848 DCANKCVKBFDNPH-UHFFFAOYSA-N 314.429 3.895 0 40 DHAB COc1ccc(-c2nc3c4ccccc4nc(SC)n3n2)cc1 9484933 JXMFEGSOZJBYJE-UHFFFAOYSA-N 322.393 3.675 0 40 DHAB CCc1nnc(NC(=O)C2(c3ccc(F)cc3)CCCC2)s1 9867533 RASLLBTWRVMFHQ-UHFFFAOYSA-N 319.405 3.690 0 40 DHAB O=C(COC(=O)c1cccc(O)c1)c1ccc2ccccc2c1 10529560 CUAOHHFSSIGXAO-UHFFFAOYSA-N 306.317 3.585 0 40 DHAB COc1ccccc1C(=O)Nc1nc(-c2cccs2)ns1 11914416 XAPCUELWLNQUGM-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB CN(CCNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 12516832 DNORHGLYPDIHBG-UHFFFAOYSA-N 323.223 3.860 0 40 DHAB COc1cccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2)c1 13131741 GOKQIVPYTRFBLZ-ROUUACIJSA-N 320.396 3.741 0 40 DHAB COc1cccc(CN(C)C(=O)c2ccc3ccccc3n2)c1 14184568 PGVCFBQGTGUFHB-UHFFFAOYSA-N 306.365 3.516 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)n[nH]2)cc1 14260751 FBYGFGBXEUFDEN-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 15326710 LKRZXNCOTBKSLY-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(Br)c1 16386171 KAPLUGSDFTUCTG-DMDPSCGWSA-N 308.219 3.615 0 40 DHAB CC[C@H](NC(=O)NCc1cccc(OC)c1)c1ccc(C)cc1 17069939 KNPQWDNFEJHPPL-SFHVURJKSA-N 312.413 3.954 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19293530 ZRHLOPRSZPZVMR-OAHLLOKOSA-N 323.371 3.722 0 40 DHAB Cc1c(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)cnn1C 19553555 SBOHZZCBOXKCGX-IBGZPJMESA-N 309.457 3.888 0 40 DHAB COc1ccc(CCNCc2ccc(Cl)s2)cc1OC 19994552 UQBKVCLMIZELTR-UHFFFAOYSA-N 311.834 3.751 0 40 DHAB CC(C)c1nnc(SCc2nnc(-c3ccccc3)o2)o1 20034485 WPWNHKFZWLBWSF-UHFFFAOYSA-N 302.359 3.535 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1C(C)C 22288497 MCAJAKLCCVSWBU-UHFFFAOYSA-N 322.412 3.810 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)c1 22524775 UVHHJLHDGSWHHH-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB CC(C)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 24606132 DVWKUJXTHXVSAP-UHFFFAOYSA-N 322.364 3.823 0 40 DHAB CCN(C[C@@H](O)COc1cccc(C)c1C)C1CCCCC1 26780464 GGXUGBBTPCXPIK-GOSISDBHSA-N 305.462 3.698 0 40 DHAB Cc1cc(C(=O)NCCCc2ccc(N(C)C)cc2)sc1C 29976186 ALQWQMAIBUXPJX-UHFFFAOYSA-N 316.470 3.794 0 40 DHAB CCCCC/C=C\C/C=C\[C@H](O)C[C@H](O)CCCCC(=O)O 31159417 JEJFTAIQLBEZLI-PIEIVNQGSA-N 312.450 3.826 0 40 DHAB biogenic,in-vitro CNc1nnc(SCc2csc(C(C)(C)C)n2)s1 32328859 FXEKGBIGFCEZRN-UHFFFAOYSA-N 300.478 3.626 0 40 DHAB Cc1c(O)c(-c2ccn[nH]2)cc2c(-c3ccccc3)cc(=O)oc12 32608328 ZPDALVVWQGCPDV-UHFFFAOYSA-N 318.332 3.864 0 40 DHAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 32797124 CKXMPQZTPAMWBA-NSHDSACASA-N 320.339 3.803 0 40 DHAB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc(=O)[nH]c1 32809462 FVSLIKQWNFTULH-UHFFFAOYSA-N 314.410 3.662 0 40 DHAB CC(C)(C)Nc1nnc(SCc2nccn2C(F)F)s1 32853975 OZFFUFVLEOAEEL-UHFFFAOYSA-N 319.406 3.632 0 40 DHAB Cc1ccsc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 32906499 LOIGWSCOUSJPBB-UHFFFAOYSA-N 314.410 3.545 0 40 DHAB CC(=O)Nc1ccc(SCC[S@@](=O)c2ccccc2)cc1 32931602 AOFHLUIPYQCCTA-NRFANRHFSA-N 319.451 3.545 0 40 DHAB CCCCNC(=O)c1sc(COc2ccccc2)nc1C 36107950 UBMVTRKUALIULM-UHFFFAOYSA-N 304.415 3.560 0 40 DHAB Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1 36140918 CORNMCLAYHZGFD-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COc1ccc(CN(C)Cc2cccc3cccnc23)cc1OC 40040799 XXWXNPMIISMKFX-UHFFFAOYSA-N 322.408 3.884 0 40 DHAB O=C(NCc1ccsc1)c1ccc(OC(F)(F)F)cc1 42938067 FYBXUWUXMHAEEZ-UHFFFAOYSA-N 301.289 3.577 0 40 DHAB Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2C(C)(C)C)on1 57761355 GXPAGUYJACKOJX-GFCCVEGCSA-N 314.433 3.974 0 40 DHAB CNC[C@@H]1c2ccccc2Oc2ccc(Cl)cc2[C@H]1C(=O)O 59786827 FDEBVKYOGYXKFY-CZUORRHYSA-N 317.772 3.617 0 40 DHAB CCSc1ccc(NC(=O)c2cc(C)n(CC)c2C)cn1 63711187 GRYWALMLGYSROC-UHFFFAOYSA-N 303.431 3.884 0 40 DHAB CCO[C@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2Cl)C1 65625881 KBWAQPLYCHINJC-ZDUSSCGKSA-N 310.825 3.990 0 40 DHAB CCc1ccsc1C(=O)Nc1cc(F)ccc1OCCOC 66431483 MAACIQZIOUFAQU-UHFFFAOYSA-N 323.389 3.727 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2occc2C)cc1OC 71794345 LUAJISAYEXIILF-CQSZACIVSA-N 315.369 3.583 0 40 DHAB Cc1cccc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)n1 72273790 JREAHHMHJVAXAX-AWEZNQCLSA-N 301.415 3.522 0 40 DHAB CC(=O)Nc1cc(C(F)(F)F)nn1-c1ccccc1Cl 72334124 NAPBSKAJVMDXQL-UHFFFAOYSA-N 303.671 3.503 0 40 DHAB COc1ccc([C@H]2CCC(=O)N2Cc2cc(F)cc(F)c2)cc1 75876655 ZFRJLWLJXMGEPI-QGZVFWFLSA-N 317.335 3.837 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(OC2CCCC2)CC1 79040051 RRVIUTSZSUFNAX-QAPCUYQASA-N 323.477 3.532 0 40 DHAB Cc1noc(C)c1CN[C@H](C)c1ccc(Br)cc1 84023569 FMYASFLGCREJNK-SECBINFHSA-N 309.207 3.905 0 40 DHAB C[C@@H](c1cccs1)[S@@](=O)Cc1cnn(-c2ccccc2)c1 89910217 OLGGKGICHNUMOF-YEJXKQKISA-N 316.451 3.944 0 40 DHAB CCCO[C@@H]1CCCN(C(=O)CCC(=O)c2cccs2)CC1 89960242 OJLZZCBRZVSYQH-CQSZACIVSA-N 323.458 3.519 0 40 DHAB COc1ccccc1-c1nc2nccc(-c3cccs3)n2n1 95477908 AORIFUZYOHYKLO-UHFFFAOYSA-N 308.366 3.528 0 40 DHAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1c(C)oc(C)c1C 95963845 KSSVTAJHINZTIK-QGZVFWFLSA-N 315.413 3.709 0 40 DHAB CSc1ccc(/C=C/C(=O)NCCc2ccsc2)cc1 96120203 GIPJVWGATYPFOV-QPJJXVBHSA-N 303.452 3.842 0 40 DHAB CCCC[C@@H](CC)CC(=O)N1CCC(c2noc(C)n2)CC1 96409207 HQTCGZFEAURGNK-CQSZACIVSA-N 307.438 3.691 0 40 DHAB Cc1ccc(C[C@H](C)NC(=O)N(C)[C@H](C)c2ccncc2)s1 96415589 OEFDHVXMDRNHFK-GXTWGEPZSA-N 317.458 3.785 0 40 DHAB CCS[C@H]1CCC[C@H]1NC(=O)Nc1c(C)nn(C(C)C)c1C 96452233 QNGNHKNMARSCPX-KGLIPLIRSA-N 324.494 3.877 0 40 DHAB CC[C@@H](NCc1nnc(-c2cccs2)o1)c1c(C)noc1C 97374061 PZDZCJDLJNLOGG-LLVKDONJSA-N 318.402 3.644 0 40 DHAB O=C(CC(=O)c1ccccc1O)c1cccc(Br)c1 101097831 YFQJPKDFWNKLHV-UHFFFAOYSA-N 319.154 3.610 0 40 DHAB Cc1ncsc1CN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 107151392 RLDBTHYNMMIFNI-WMLDXEAASA-N 315.486 3.594 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)CSC[C@H]1CCCCO1 171382590 JWBCVMWQWOFFBU-QWHCGFSZSA-N 313.488 3.570 0 40 DHAB COC1(CN[C@@H](C)c2cc3ccccc3s2)CCOCC1 188255803 IXSSHDSROZIPTC-ZDUSSCGKSA-N 305.443 3.748 0 40 DHAB COC(=O)c1cn(C(=O)Cc2ccc(C)c(C)c2)c2ccccc12 222610502 KKYHVYUREZSJNV-UHFFFAOYSA-N 321.376 3.928 0 40 DHAB COc1ccccc1C[C@@H](Sc1ccc(C)cc1)C(=O)O 225097866 UVXJBPQKVZNBOC-MRXNPFEDSA-N 302.395 3.792 0 40 DHAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CC1 225382738 YXRVMPAYFFYIAM-UHFFFAOYSA-N 304.242 3.753 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccccc2F)cc1C 225450861 QYHOYUQNTDUYSA-OAHLLOKOSA-N 315.388 3.569 0 40 DHAB Cc1ccnc(NC(=S)NC2(c3ccco3)CCCC2)c1 225873628 SYJWUTXWMUBOJY-UHFFFAOYSA-N 301.415 3.739 0 40 DHAB Nc1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCC1 226266935 WICRXIDDKMVDLN-UHFFFAOYSA-N 315.804 3.775 0 40 DHAB Nc1nc2c(Cl)cc(NC(=O)c3ccc(F)cc3)cc2s1 226310409 UXLXZSHARYXHQD-UHFFFAOYSA-N 321.764 3.923 0 40 DHAB Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Cl)cc1C 227145226 XIJWMGICJQPKRX-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB c1ccc2c(c1)OC1(CCC3(CC1)OCCO3)[C@H]1CCCO[C@H]21 257214257 CLGGMIYULALSOC-DOTOQJQBSA-N 316.397 3.603 0 40 DHAB Cc1ncsc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 331009782 MWCZXLFMKZMGAU-IACUBPJLSA-N 310.463 3.867 0 40 DHAB C[C@@H](C(=O)O)c1cccc(NC(=O)[C@@H]2CCc3ccccc3C2)c1 581731145 MDPHTWZUHMZEFS-CXAGYDPISA-N 323.392 3.618 0 40 DHAB CC[C@@H](C)CC(=O)N1CCC(c2ccc3cccnc3n2)CC1 655269060 GZTFYIZGBMQZQN-CQSZACIVSA-N 311.429 3.772 0 40 DHAB CCOC(=O)C[C@H](n1ccc(-c2ccccc2)n1)C(F)(F)F 685936566 GYVZVBBDHIJUPB-ZDUSSCGKSA-N 312.291 3.607 0 40 DHAB O=C(c1ccc(COc2ccccc2Cl)o1)N1CCCC1 115349 QWHSWXPLRITIDI-UHFFFAOYSA-N 305.761 3.748 0 40 DHAB COc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1 355467 NROLNUQBIBNEAE-UHFFFAOYSA-N 302.355 3.767 0 40 DHAB COc1cc(OC)c(C(=O)OC2C[C@H](C)C[C@@H](C)C2)cc1OC 365406 AGHLLFVFFAIZDA-VXGBXAGGSA-N 322.401 3.694 0 40 DHAB c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)nc1 521890 RCHIKZLXCMNBGJ-UHFFFAOYSA-N 302.337 3.897 0 40 DHAB O=C1c2ccccc2C(=O)N1OCc1cccc(Cl)c1Cl 1397322 CZKHASYPHVMQIJ-UHFFFAOYSA-N 322.147 3.721 0 40 DHAB CCCCOc1ccc(C[C@H](O)CN2CCCC[C@@H]2C)cc1 1597146 CAYFNLUNTXBSSB-WMZOPIPTSA-N 305.462 3.643 0 40 DHAB COc1ccccc1C(=O)c1ccccc1CN1CCCCC1 2515491 MLFQOWCXNRAXPV-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB CCN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 3163790 FMTYHFQBLILLDW-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB CC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 3378547 PUVVHVPWXAQHCH-UHFFFAOYSA-N 319.360 3.956 0 40 DHAB CCCC[C@@H](C(=O)Nc1cccc2c1O[C@H](C)C2)N(CC)CC 4062143 MIVCUTMQBVUNCD-PBHICJAKSA-N 318.461 3.849 0 40 DHAB biogenic C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccco2)N3)C1 4543286 SPSULWZFEMMPFP-DRLXOFOESA-N 314.410 3.661 0 40 DHAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccco2)N3)C1 4543287 SPSULWZFEMMPFP-MFPXTQHRSA-N 314.410 3.661 0 40 DHAB Cc1ccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)cc1 4586120 SBPYIVMHJUZGSN-UHFFFAOYSA-N 320.421 3.535 0 40 DHAB C[C@H]1[C@@H](C)[C@@H](OC(=O)c2ccccc2)CCN1Cc1ccco1 4687085 IEDBZMWATZKGIT-VKJFTORMSA-N 313.397 3.736 0 40 DHAB CCN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O 4695176 CPWJXQMIWPMAPL-XBXARRHUSA-N 318.217 3.567 0 40 DHAB Cc1ccnc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1 6276367 SUVFLPACVDUERS-GFCCVEGCSA-N 313.401 3.781 0 40 DHAB O=C(SCc1c(O)c2ccccc2oc1=O)c1ccccc1 6514705 AUVSDEFCPNVTSK-UHFFFAOYSA-N 312.346 3.572 0 40 DHAB CC(C)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)cc1 10325423 NTIMULVDGJQDND-INIZCTEOSA-N 324.380 3.538 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccccc2)[nH]n1 12604074 LHXNPZMYVALJRD-AWEZNQCLSA-N 305.381 3.876 0 40 DHAB Cc1ccc(-c2csc(CC(=O)NCc3ccco3)n2)cc1 12737413 ILLGQRBNVRKMSW-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB CN1CCCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 12740517 DDCFERBSDXLCSX-UHFFFAOYSA-N 324.453 3.500 0 40 DHAB CCc1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 13000515 AUJPFKKOZRNLAA-HXUWFJFHSA-N 322.452 3.701 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1Cl 14124616 YKTLXADTVRQRIB-UHFFFAOYSA-N 322.817 3.931 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccccc1 14396322 PHBSERFVWOLHRD-RDTXWAMCSA-N 313.397 3.730 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)c1 19736477 MRJYSYSOPKAATK-NSHDSACASA-N 304.777 3.637 0 40 DHAB Cc1ccccc1C(=O)NCCOc1cccc(C(F)(F)F)c1 23142528 ZPLOXOHYZJPTSF-UHFFFAOYSA-N 323.314 3.823 0 40 DHAB O=C(/C=C/c1ccco1)N1CCC[C@@H](c2nc3ccccc3o2)C1 27386379 PJHKTLNGGAWDFY-ATWMFIQVSA-N 322.364 3.840 0 40 DHAB O=C(Nc1ccccn1)c1ccccc1SC[C@H]1CCCO1 27994419 ITNPPFXKHQIGPB-CYBMUJFWSA-N 314.410 3.605 0 40 DHAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c1 28284924 JOWJKXCCLLKOPJ-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB C[C@@H](NC(=O)c1ccccc1Nc1ccccc1)[C@H]1CCCO1 29958769 WNIIUEWFTXJANM-RDTXWAMCSA-N 310.397 3.728 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nncc2ccccc12 32754623 RADZIIATEMDKMQ-BETUJISGSA-N 315.442 3.511 0 40 DHAB COc1ccc2cc(C(=O)N(C)Cc3ccc(F)cc3)[nH]c2c1 32765692 BFMDHHSLHCKMPT-UHFFFAOYSA-N 312.344 3.588 0 40 DHAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2ccc(O)cc2)C1 36359360 OOLHBTYJNKRUKN-HNNXBMFYSA-N 323.327 3.841 0 40 DHAB Cc1cccc(-c2nc(CSc3ncc4ccccn34)no2)c1 40088671 APBGOZVLXWMWAK-UHFFFAOYSA-N 322.393 3.985 0 40 DHAB O=C(COc1cccc2c1CCCC2)N1CCc2ccccc21 41539858 YMXDYNVXRCBCQC-UHFFFAOYSA-N 307.393 3.534 0 40 DHAB CC[C@H](C)c1ccc(OC[C@@H]2CCNC2)c(Br)c1 42770398 VNQGNGYCEHFOAQ-NWDGAFQWSA-N 312.251 3.951 0 40 DHAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)C(C)(C)C)C1 48344971 OUXGLXZPBCAJKI-HOTGVXAUSA-N 316.489 3.827 0 40 DHAB CCOc1ccccc1NC(=O)c1cc(-c2cccs2)[nH]n1 51315648 DLCQBIIAIYTESF-UHFFFAOYSA-N 313.382 3.789 0 40 DHAB CCCOc1cccc(C(=O)Nc2ccc(Cl)cc2N)c1 61667261 DQVCEUXCWYKOLT-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB CCN(C(=O)Nc1cccc(NC(=O)OC)c1)[C@@H](C)C(C)C 67666191 FSVSAQRIBSGUJG-LBPRGKRZSA-N 307.394 3.763 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 69777268 DYAYXRCNHWQNLG-OAHLLOKOSA-N 301.386 3.659 0 40 DHAB O=C(Nc1ccc(N2CCSCC2)cc1)N1CCCCCC1 72295153 GMERLAUOWCLCBM-UHFFFAOYSA-N 319.474 3.648 0 40 DHAB CCN(Cc1ccccc1NCc1cccc(F)c1F)C(C)=O 79016544 DVKMFFBOYYMGPL-UHFFFAOYSA-N 318.367 3.945 0 40 DHAB C[C@H]1CCCC[C@H]1OCC(=O)N1CCC(OC2CCCC2)CC1 79040066 RRVIUTSZSUFNAX-MAUKXSAKSA-N 323.477 3.532 0 40 DHAB CCn1cc(CNc2cc(C(C)(C)C)nn2-c2ccccc2)cn1 79073330 MAQAYQTVVROYMY-UHFFFAOYSA-N 323.444 3.998 0 40 DHAB COc1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)on1 79464381 NGRAWTCTJFNYLJ-UHFFFAOYSA-N 315.156 3.561 0 40 DHAB O=C(Cc1c(F)cccc1F)N1CC[C@H](c2ccccc2)C1 87209944 KRVZKTUHBRUFMA-AWEZNQCLSA-N 301.336 3.523 0 40 DHAB CCc1nn(C)cc1NC(=O)N1CCc2sccc2[C@@H]1CC 91197927 NBNHSYCYOAPWNH-AWEZNQCLSA-N 318.446 3.585 0 40 DHAB O=C(c1ccc2ccccc2c1O)N1CCC[C@@H]1c1ccncc1 93913260 CWTRFVDNIZOXRR-GOSISDBHSA-N 318.376 3.918 0 40 DHAB COCc1ccccc1CN[C@H](C)c1c(F)cccc1OC 95419652 CRUVFWCQZSLKSP-CYBMUJFWSA-N 303.377 3.832 0 40 DHAB O=C(N[C@@H](CCCO)c1ccccc1)c1coc2ccccc12 95445723 SPLRIYUGDMUSMN-KRWDZBQOSA-N 309.365 3.676 0 40 DHAB C[C@H]1C[C@H](N(C)CCc2ccncc2)CCN1Cc1ccccc1 96414925 ZIVXBPAXOUVBBE-GHTZIAJQSA-N 323.484 3.609 0 40 DHAB CN(C)c1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)s1 96766573 KXLBQGATXFUOHA-WQLSENKSSA-N 304.802 3.960 0 40 DHAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(C)c1 101084803 HPOVCLPLUYIJNC-BEFAXECRSA-N 324.380 3.773 0 40 DHAB C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 102864147 BODPWXQMNACCCN-GARXJVFOSA-N 324.424 3.825 0 40 DHAB CC(=O)N1CCC(CNc2ccnc3cc(Cl)ccc23)CC1 104660857 STWFGLJTTRRGCM-UHFFFAOYSA-N 317.820 3.559 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccccc2OC(C)C)cc1 105941331 ITMXKECWZWVLLH-UHFFFAOYSA-N 313.397 3.755 0 40 DHAB CCOc1ccc(C(=O)N2CCCC(C)(C)C2)cc1OCC 112685053 WKAXPFUZQYHONH-UHFFFAOYSA-N 305.418 3.746 0 40 DHAB C[C@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 224172035 PDXGXWCZXIWXQU-CYBMUJFWSA-N 323.845 3.563 0 40 DHAB C[C@H](CNS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 224174030 TWULTKOKGYUOIP-CYBMUJFWSA-N 323.845 3.563 0 40 DHAB CCCOc1ncc(NC(=O)[C@@](C)(CCC)OCC)cc1C 225895334 PEPUSTXJLZRVAP-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1nccs1 257173337 KGWNXCLJEHFTGK-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC(=O)N1CCC[C@H]1c1cccc(-c2ccc(F)c(F)c2)n1 257332306 XWRVEIXBLCUSOH-KRWDZBQOSA-N 302.324 3.710 0 40 DHAB COc1cccc2c1[C@H](C(=O)Nc1cncc3ccccc13)CC2 560339829 JIBYUPIWPAMZQX-MRXNPFEDSA-N 318.376 3.912 0 40 DHAB c1ccc2c(N3CCC[C@@H](COc4ccncc4)C3)ccnc2c1 1888890528 AFPPKLIXUCVRQK-MRXNPFEDSA-N 319.408 3.925 0 40 DHAB Cc1noc(C)c1-c1ccc(CNC(=O)c2ccsc2)o1 1889149345 GWHNUDPVILJAGL-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB CC1(C)Cc2ccccc2C(c2cc3ccccc3oc2=O)=N1 99054 OIMSGYTYUKJLEZ-UHFFFAOYSA-N 303.361 3.965 0 40 DHAB biogenic CN(C)CCOc1ccc2c(c1)Sc1ccccc1CC2=O 347726 ALUAWMIKIFEMQG-UHFFFAOYSA-N 313.422 3.517 0 40 DHAB COC(=O)c1ccc(Cl)c2c(Cl)ccc(C(=O)OC)c12 405775 GFMJZQOJLAOXEY-UHFFFAOYSA-N 313.136 3.720 0 40 DHAB COc1ccccc1-c1nnc2sc(-c3cccs3)nn12 533177 XOZTXKYSEUFKJE-UHFFFAOYSA-N 314.395 3.590 0 40 DHAB Cc1c(C(=O)CSc2ccccc2Cl)sc2ncnn12 1402670 VWEUADRILZESPS-UHFFFAOYSA-N 323.830 3.728 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C)cc1C 3017323 UERMBOKQXOCJHP-OAHLLOKOSA-N 304.434 3.575 0 40 DHAB CC[C@H]1CCCCN1c1nc2c(C=O)c(C)nn2c2ccccc12 3178584 OTGZSSWDGWKZSQ-AWEZNQCLSA-N 322.412 3.772 0 40 DHAB CCn1c(-c2ccccc2)nn(CN2CCCCC2)c1=S 3363261 PPOOHKDXPXJARN-UHFFFAOYSA-N 302.447 3.544 0 40 DHAB COc1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1 3562305 MOOPYNRVXLGMLA-DHZHZOJOSA-N 301.773 3.678 0 40 DHAB Cc1cc(NC(=O)c2ccccc2F)ccc1N1CCCC1=O 5439987 LWBPXTRDWIIABW-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 5443291 NJNHDASNEMBWMX-QGZVFWFLSA-N 311.381 3.763 0 40 DHAB COc1cccc(-n2c(=S)[nH]c3c([nH]c4ccccc43)c2=O)c1 5926235 QDRKFMNVRPKHEV-UHFFFAOYSA-N 323.377 3.538 0 40 DHAB O=C(NCc1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1 6305894 BEITXSKBKRDGCX-UHFFFAOYSA-N 313.250 3.654 0 40 DHAB Cc1ccc(C2=Nc3ccccc3C(c3cccnc3)=NN2)cc1 6533807 ITCRXCGOERMAMY-UHFFFAOYSA-N 312.376 3.824 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2)c1 7071585 JSKFGJOPRFOPLD-UHFFFAOYSA-N 314.341 3.516 0 40 DHAB c1csc(-c2nnc(Sc3ncnc4sccc34)o2)c1 8199646 WXFWCWPJZFOLQO-UHFFFAOYSA-N 318.408 3.954 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c(O)c1 8242100 HKGKYYAZRFJUDH-UHFFFAOYSA-N 311.381 3.919 0 40 DHAB COc1ccccc1NC(=O)c1cc(F)ccc1Br 9217516 LBAVQIGAYGNJEK-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1F 9376987 OLHZDPSVVGUDJY-UHFFFAOYSA-N 311.278 3.817 0 40 DHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc2ccccc2o1 9534601 ZGHJRZUOOYUHMI-UHFFFAOYSA-N 319.316 3.954 0 40 DHAB CCn1ncc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c1C 12143126 WVSWLFUQONRPRW-UHFFFAOYSA-N 315.392 3.550 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(Cl)cc1 13649244 BBZZUCZDLLAAMX-MRXNPFEDSA-N 308.853 3.724 0 40 DHAB CC(C)c1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1 19910428 SBITZPCKEIJRGL-UHFFFAOYSA-N 306.369 3.643 0 40 DHAB CCOc1cc(C=O)ccc1OCCN1CCCC[C@H]1CC 20131592 GXQFIRFONQVAOR-MRXNPFEDSA-N 305.418 3.541 0 40 DHAB Nc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1 20343811 TUKSOMUFTDWVOB-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)Nn1cnc2ccccc21 21866622 KTORLNAERYQHTE-UHFFFAOYSA-N 318.380 3.611 0 40 DHAB COc1ccccc1[C@H](C)N(C)C(=O)/C=C/c1cccs1 25328696 GIHQEGMUVBIUKG-NHAQELONSA-N 301.411 3.990 0 40 DHAB Cc1nc2ccccc2nc1NCc1ccnc(N2CCCC2)c1 30007878 GPEYKUFLNHMQIW-UHFFFAOYSA-N 319.412 3.546 0 40 DHAB COc1ccc(CCC(=O)NC[C@H]2CCCc3ccccc32)cc1 30894637 COGUUHHJSXSMNQ-GOSISDBHSA-N 323.436 3.864 0 40 DHAB O=C(N1CCC(c2nc3ccccc3s2)CC1)C(F)(F)F 32553637 MBPSULIQGOZMKQ-UHFFFAOYSA-N 314.332 3.565 0 40 DHAB O=C(CCc1ccc(F)c(F)c1)NCC1(c2ccccc2)CC1 32816461 XNFAHRRZPGDYBE-UHFFFAOYSA-N 315.363 3.745 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccccc1 32894334 BMPOJYWXDOMHNM-UHFFFAOYSA-N 306.365 3.856 0 40 DHAB O=C(Cc1ccccc1)c1ccc(OCCN2CCCC2)cc1 39391221 JYKNTMKCVVRJJQ-UHFFFAOYSA-N 309.409 3.587 0 40 DHAB O=C(Nc1ccc(F)cc1)Nc1ccn(Cc2ccccc2)n1 40149998 KEUQGGZOYLHYSQ-UHFFFAOYSA-N 310.332 3.715 0 40 DHAB O=C(Cc1ccc(F)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 42850572 CNJGBJAHYIHHNP-AAEUAGOBSA-N 303.299 3.606 0 40 DHAB CC[C@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2C(C)C 44892140 ZDFDCKFVDZPVBO-AWEZNQCLSA-N 314.433 3.725 0 40 DHAB CCc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(O)cc1 48303032 TZNKCXJOCKJLRG-IBGZPJMESA-N 324.424 3.730 0 40 DHAB CC(=O)Nc1cc(NC(=O)CCc2ccsc2)ccc1C 48887766 NCBJIACYTXYUJK-UHFFFAOYSA-N 302.399 3.586 0 40 DHAB Clc1cccc([C@@H]2CCCN2Cc2nc(C3CC3)no2)c1 52077743 KMEYKGGOACLYRX-AWEZNQCLSA-N 303.793 3.938 0 40 DHAB CCOc1ccc2c(c1)CN(C(=O)c1cc3ccccc3[nH]1)CC2 58288590 NYUCHTJIKFUTND-UHFFFAOYSA-N 320.392 3.765 0 40 DHAB CCn1ncc2ccc(NC(=O)NC[C@@H](C)c3ccccc3)cc21 58299469 SSYBWGSZCIITTQ-CQSZACIVSA-N 322.412 3.981 0 40 DHAB O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 67052783 REIQLSUTOZDVPO-ZWKOTPCHSA-N 321.355 3.754 0 40 DHAB CCc1n[nH]c(SCc2nc(-c3ccsc3)oc2C)n1 69561761 MIRIJCBJCSOIMD-UHFFFAOYSA-N 306.416 3.684 0 40 DHAB Cn1cccc1[C@H]1CCCCCN1C(=O)CCc1ccco1 69642439 LYYBIRITXGDPFY-QGZVFWFLSA-N 300.402 3.695 0 40 DHAB O=C(NCc1ccsc1)N[C@H](c1ccccc1)c1ccncc1 69703572 HZVKQDKNLDGKFW-QGZVFWFLSA-N 323.421 3.732 0 40 DHAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1cccs1 71870454 YEGIBBZXAWFRQE-IRXDYDNUSA-N 320.502 3.546 0 40 DHAB CCOC(=O)c1c(-c2ccccc2)c2ccc(C)cc2[nH]c1=O 75109535 YJBWJDHDKLWGKD-UHFFFAOYSA-N 307.349 3.680 0 40 DHAB C[C@@H](NC(=O)N(C)Cc1ccccc1)c1csc(C2CC2)n1 79036661 LYJZFVNUAWYVOT-GFCCVEGCSA-N 315.442 3.923 0 40 DHAB COC(=O)c1oc([C@@H](C)N(C)Cc2ccc(C)cc2)cc1C 89632265 GRTWOOLMVFTKCJ-CQSZACIVSA-N 301.386 3.876 0 40 DHAB CC(C)(C)c1nnc(CSCc2ccc3c(c2)OCCO3)o1 95412906 RMSLFXDSROFKNM-UHFFFAOYSA-N 320.414 3.572 0 40 DHAB CCOC(=O)CC[C@@H]1CCCCN1c1nc2cc(C)ccc2o1 95437237 KTGPPGKSNJCLPN-AWEZNQCLSA-N 316.401 3.838 0 40 DHAB CSCc1cccc(NC(=O)NCc2sc(C)nc2C)c1 96434818 WWBKIYPXAKSAKL-UHFFFAOYSA-N 321.471 3.945 0 40 DHAB Cc1cscc1C(=O)N(C)c1ccc(-c2ccccc2)nn1 96472857 RTYAAECYVCGUMV-UHFFFAOYSA-N 309.394 3.790 0 40 DHAB O=C(CC(=O)c1ccccc1)CC(=O)c1cccc(Cl)c1 100478301 WTFVUWNHNQDAHY-UHFFFAOYSA-N 300.741 3.755 0 40 DHAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccccc1 101291490 CYRZTMVTPZWDAG-KKXDTOCCSA-N 323.392 3.850 0 40 DHAB C[C@@]12CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@]34O)[C@@]1(C)CCC(=O)C2 118915104 BFCOSNMGHLCEIQ-RSKUYJRESA-N 318.457 3.672 0 40 DHAB Nc1nnc(-c2ccc3oc(-c4cccc(Cl)c4)nc3c2)o1 216838933 IYQSFVAFMJEBRT-UHFFFAOYSA-N 312.716 3.780 0 40 DHAB CN(C)c1ccc(-c2nc3cnccc3o2)cc1Br 216880379 XUNVHGPELVQTEM-UHFFFAOYSA-N 318.174 3.718 0 40 DHAB COc1cccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c1 222623546 JTNRHMHSFVIOSL-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cn1 225861377 ALXYGUMPILXOGK-UHFFFAOYSA-N 314.360 3.680 0 40 DHAB CCCOc1ncc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225883400 CXLVSSGBZLECLD-KRWDZBQOSA-N 308.422 3.569 0 40 DHAB Cc1cc(C)nc(Nc2ccccc2C(=O)NCCC(C)C)n1 225918436 ZLDNBSUMMIINID-UHFFFAOYSA-N 312.417 3.613 0 40 DHAB Cc1cc2nc(-c3cc(Br)c[n+](C)c3)oc2cc1C 226774901 GBSUJYHORWWNOP-UHFFFAOYSA-N 318.194 3.699 0 40 DHAB CN(C[C@@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)C1CCCCC1 253478949 NYKSCGZFZQRKJK-NFBUACBFSA-N 323.521 3.843 0 40 DHAB c1ccc2c(C[C@H]3CCN(Cc4cscn4)C3)ccnc2c1 257230643 GDFFGVJSXXLOLE-CQSZACIVSA-N 309.438 3.756 0 40 DHAB CC(C)N1CCC(c2cnc(-c3cnn(C(C)C)c3)cn2)CC1 257239453 HPHYMXWYAHLLGS-UHFFFAOYSA-N 313.449 3.509 0 40 DHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)CC1CCCCC1 408714002 GEDAAONFHJDBQM-UHFFFAOYSA-N 313.401 3.665 0 40 DHAB COc1ccccc1-c1nnc([C@@H](C)N(C)Cc2ccccc2)o1 521393853 YRZCHKDPMAJJJR-CQSZACIVSA-N 323.396 3.938 0 40 DHAB O=C(NC1CCC(F)(F)CC1)c1ccccc1OC(F)(F)F 540420592 TYKXHEQEPSKTHD-UHFFFAOYSA-N 323.261 3.893 0 40 DHAB O=C1CCC(=O)N1c1ccc(SCc2ccc(F)cc2)cc1 390249 QOIOTMQLRCWPEI-UHFFFAOYSA-N 315.369 3.771 0 40 DHAB CCCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)O)cc1 2307280 IZFBBGMJTPWKCB-INIZCTEOSA-N 321.417 3.629 0 40 DHAB COc1ccc(CC(=O)NCCc2ccc(C(C)C)cc2)cc1 3554578 DYHNSVCNIHPULD-UHFFFAOYSA-N 311.425 3.720 0 40 DHAB O=C(Nc1cccc(F)c1)C1(c2cccs2)CCOCC1 4478954 CAEBCUFSPMSTBK-UHFFFAOYSA-N 305.374 3.574 0 40 DHAB COc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c1 5169604 QLQNDQDTBZMBIS-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB O=C1CSC2=NC(c3ccccc3)=C[C@@H](c3ccccc3)N12 5604246 NXEFSEGOAGGXJX-INIZCTEOSA-N 306.390 3.714 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)CCCC3)c1 6789524 NDIYTVOGDJGZOA-UHFFFAOYSA-N 323.392 3.913 0 40 DHAB CC(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)s1 7954879 ONENWCZWGMVRSK-UHFFFAOYSA-N 307.802 3.577 0 40 DHAB CC(C)CCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 7997180 PNBPPUXTWOQUJH-JTQLQIEISA-N 315.439 3.794 0 40 DHAB O=C(OCc1cc(-c2ccccc2)on1)c1c(F)cccc1F 8070784 RZSRVJQBZWMTQH-UHFFFAOYSA-N 315.275 3.977 0 40 DHAB COc1ccc(CSc2nc(-c3cccs3)n[nH]2)cc1F 8493168 MBMIXVVMRKDXRV-UHFFFAOYSA-N 321.402 3.973 0 40 DHAB COc1cccc(CC(=O)Nc2ccc(-c3nccs3)cc2)c1 8705486 PUYBVDKFEQCVNB-UHFFFAOYSA-N 324.405 4.000 0 40 DHAB O=C(Nc1cccc2cccnc12)c1cc(=O)c2ccccc2o1 9592829 RIGIMHDNKCIIFL-UHFFFAOYSA-N 316.316 3.594 0 40 DHAB Cc1cc(C)cc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)c1 9995762 OSEYRQAIKHAGCO-UHFFFAOYSA-N 316.788 3.842 0 40 DHAB COc1ccc2cc(CNC(=O)COc3ccccc3)ccc2c1 11124059 MABJIZBETJNFQC-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB COc1ccc(-c2cc(C(=O)O)nn2-c2cccc(C)c2)cc1 11801837 OBGINAGOHZUJSC-UHFFFAOYSA-N 308.337 3.555 0 40 DHAB CCOc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1 12843135 SYCACBDUUBINAF-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB O=P(O)(O)C1(NC[C@@H]2CCCc3ccccc32)CCCCC1 12997482 QSZQQARKYYRCCS-HNNXBMFYSA-N 323.373 3.534 0 40 DHAB COc1cccc(CN(C)C(=O)Nc2ccc(F)cc2)c1OC 18174164 MOZHPLOFUUPXDN-UHFFFAOYSA-N 318.348 3.507 0 40 DHAB COc1ccc2[nH]c(C)c(CCNCc3ccc(F)cc3)c2c1 19798229 NERBHMRYVPQZRO-UHFFFAOYSA-N 312.388 3.956 0 40 DHAB C[C@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)[C@@H](C)CO1 27646168 PCFUGRKZPXMCKH-RYUDHWBXSA-N 306.793 3.604 0 40 DHAB COC(=O)N[C@@H](Sc1ccc(C)cc1)C(=O)c1ccccc1 28467686 XQVIHQPEHLIEMY-INIZCTEOSA-N 315.394 3.652 0 40 DHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccnc1 30756151 HOOGOZRWCQLSFG-GOSISDBHSA-N 320.392 3.709 0 40 DHAB CCCOc1ccc2cc(S(=O)(=O)N(CC)CC)ccc2c1 31903920 CXXYIXVOJVCEEH-UHFFFAOYSA-N 321.442 3.659 0 40 DHAB O=C(O)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 32920039 AOLKZQABRLRQNP-UHFFFAOYSA-N 309.300 3.725 0 40 DHAB COc1ccc(OC)c(C(=O)c2ccccc2Br)c1 36940140 YMZWMIJAHSBAAV-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB COc1ccc(Br)c(C=O)c1OCc1ccccc1 39131123 BONZUBOOGNLLPJ-UHFFFAOYSA-N 321.170 3.849 0 40 DHAB CC(C)=CCN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 39990589 HCZICOLYVNIDCF-UHFFFAOYSA-N 301.217 3.830 0 40 DHAB CC(C)Nc1nc(C(=O)Nc2nc3ccccc3s2)cs1 40267702 NZXRHUPUIJMPAU-UHFFFAOYSA-N 318.427 3.825 0 40 DHAB O=C(NCc1ccc(Br)cc1)c1ccc(F)cc1 42335842 DPXOIKDASSLCJF-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB CCCCCCNC(=O)Nc1cccc(NC(=O)C2CC2)c1 44103576 LMSRBXNBTKULSP-UHFFFAOYSA-N 303.406 3.737 0 40 DHAB CCc1nc(NC(=O)CCc2ccc(OC)c(F)c2)sc1C 44701961 HCJNPHAXMRPIGI-UHFFFAOYSA-N 322.405 3.733 0 40 DHAB CC(C)OCc1c(C(=O)N2CCSCC2)oc2ccccc12 49209008 IFXAEBQVMUCYSN-UHFFFAOYSA-N 319.426 3.547 0 40 DHAB O=C(Nc1ccc(Cl)c(F)c1)c1cc2ccccc2c(=O)[nH]1 49241833 KEZHCFAZEYMVES-UHFFFAOYSA-N 316.719 3.573 0 40 DHAB Cc1ccccc1OCCNC(=O)c1ccc(Cl)cc1F 55954865 NHGIWDQWBCYVTD-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB COc1ccc(NC(=O)C=C(C2CC2)C2CC2)c2cccnc12 56312873 JGHHSLGXBXKYLS-UHFFFAOYSA-N 308.381 3.928 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2CN(C)C)C1(C)C 58086872 IZNOMXSITZRZIS-ROUUACIJSA-N 314.473 3.603 0 40 DHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 59227320 OLEWWVKENHHGQP-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB CCOc1ccccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 65609946 PFXLABFHMONENX-NSHDSACASA-N 316.323 3.892 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 65695359 DVLCLSWAKCANAG-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 68741119 VJBRSPFDXBJXHE-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB Cc1ccccc1SCC(=O)OCc1c(C)nn(C)c1Cl 69568187 DPBGPNBWVGEXNB-UHFFFAOYSA-N 324.833 3.526 0 40 DHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cccc(F)c2F)on1 72395108 FKTFVKJIWFLING-BLLLJJGKSA-N 306.356 3.762 0 40 DHAB COc1c(Cl)cccc1NC(=O)N[C@@H](C)c1c(C)noc1C 73185913 CIFPTSVXUUEMQS-QMMMGPOBSA-N 323.780 3.836 0 40 DHAB CCOC(=O)c1cnn(Cc2ccccc2)c1-c1ccccc1 75896563 MBIOTLZLMKYZPM-UHFFFAOYSA-N 306.365 3.775 0 40 DHAB C[C@H](S[C@H](C)c1ccc(OC(F)F)cc1)C(=O)N(C)C 76330152 MFAOHZNPSVPXCP-ZJUUUORDSA-N 303.374 3.559 0 40 DHAB COc1cc(CN[C@H](C)c2c(C)nn(C)c2C)ccc1SC 78553153 IQFHBMQTXIVJHB-LLVKDONJSA-N 319.474 3.618 0 40 DHAB CC(C)n1ccc2cc(C(=O)NCCc3ccncc3)ccc21 79478935 YFSBVIKEYVGFAY-UHFFFAOYSA-N 307.397 3.590 0 40 DHAB CC(C)n1ccc2c(C(=O)NCCc3ccncc3)cccc21 79487682 ZSSOSYBOIVCFCC-UHFFFAOYSA-N 307.397 3.590 0 40 DHAB CC(C)c1ccc2nc([C@H]3CSCCS3)[nH]c(=O)c2c1 79913428 YTQFOCQPGMGRMZ-CYBMUJFWSA-N 306.456 3.568 0 40 DHAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ncccc1O 84563103 IAJUJCUZUCIHMI-UHFFFAOYSA-N 308.337 3.619 0 40 DHAB CCCc1ccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1 85473054 YJBLMJZLVDMQDT-FQEVSTJZSA-N 323.436 3.723 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CNc2cccc(F)c2)CC1 89212592 WPXISNZZSUAIHM-UHFFFAOYSA-N 308.397 3.885 0 40 DHAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)/C=C/c1cccc(Cl)c1 89895043 FJFNDICVMPSSKF-AVDDZBROSA-N 319.788 3.575 0 40 DHAB O=C(CC1CCCC1)Nc1cc(-n2ccc3ccccc32)ncn1 90614286 VSDMLNPXFSBTHH-UHFFFAOYSA-N 320.396 3.939 0 40 DHAB C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(F)c(F)c1F 95429852 QIFGXRCPLGXHFH-VIFPVBQESA-N 309.287 3.643 0 40 DHAB CCC[C@H](NC(=O)NCc1c(C)noc1C)c1cccs1 95955395 IITYVKJPTFAWRJ-ZDUSSCGKSA-N 307.419 3.694 0 40 DHAB COc1cccc2cc([C@H](C)NC[C@H](O)c3ccsc3)oc12 95987935 ZQAYESOMJXWIAK-FZMZJTMJSA-N 317.410 3.887 0 40 DHAB Cc1cc(NC(=O)NCc2c(C)noc2C)ccc1OC(C)C 96435270 JVGAUILXHBMTLA-UHFFFAOYSA-N 317.389 3.709 0 40 DHAB CCS[C@H]1CCC[C@@H]1NC(=O)Nc1c(C)nn(C(C)C)c1C 96452231 QNGNHKNMARSCPX-KBPBESRZSA-N 324.494 3.877 0 40 DHAB O=C1OC(c2ccc(F)cc2F)=N/C1=C/c1ccc(F)cc1F 96892194 WHSFDEYZKURFNH-LHHJGKSTSA-N 321.229 3.588 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(OC(F)F)cc1 105678254 DMQGVMOBGWZSPZ-IHRRRGAJSA-N 309.356 3.731 0 40 DHAB CC1(C)CCCC(C)(C)N1C[C@H](O)COC[C@@H]1C[C@H]2CC[C@H]1C2 106219672 CDWNVYOEAWOXCA-XSLAGTTESA-N 323.521 3.843 0 40 DHAB CC(=O)NC1CCC(N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 132907763 AUANMRNVDORWKB-LMWSTFAQSA-N 323.506 3.539 0 40 DHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)[nH]3)N21 222718132 JKVNMSSMJDLQJL-DAXOMENPSA-N 312.442 3.698 0 40 DHAB COc1ccc(C(=O)NC(C)C)cc1COCc1ccccc1 224456805 FFSSKRGDNHCJNW-UHFFFAOYSA-N 313.397 3.550 0 40 DHAB CCc1ccc(CC(=O)NCc2ccc(OC(C)C)cc2)cc1 224496136 XASYLTAJBSBEPM-UHFFFAOYSA-N 311.425 3.895 0 40 DHAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1 225470776 QWYNLYDWKIWNIK-UHFFFAOYSA-N 303.793 3.806 0 40 DHAB S=C(NCCCc1ccc(Cl)cc1)Nc1cccnc1 225545714 XSOXHMOXWYIJST-UHFFFAOYSA-N 305.834 3.654 0 40 DHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC)nc1C 225905688 HUNLOKCDFOPQCS-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB COc1cc(NC(=O)C(C)(C)C)ccc1-c1ccc(C(=O)O)o1 226352536 JAFPBCJURGLOCU-UHFFFAOYSA-N 317.341 3.638 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](C(=O)O)[C@H]2C[C@H](O)c1ccccc1 245239050 DYCAJMGMLIVAOG-GMHRPJKWSA-N 302.414 3.883 0 40 DHAB c1ccc2nc(CN3CCC[C@H](Cc4nccs4)C3)cnc2c1 257255610 KIECIBMXEBLRSQ-CQSZACIVSA-N 324.453 3.541 0 40 DHAB CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260893040 GIEICFOSJOJGJH-JKSUJKDBSA-N 302.462 3.693 0 40 DHAB CO[C@@H](C(=O)NCCSC1CCCCC1)c1ccccc1 409025993 CYKDBUXZHIVBJA-MRXNPFEDSA-N 307.459 3.556 0 40 DHAB O=C(N[C@H]1CCc2ccc(F)cc21)c1c[nH]nc1-c1ccccc1 520738538 NNPGEIAUUQNNRX-KRWDZBQOSA-N 321.355 3.633 0 40 DHAB CC(C)CN1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 585100250 IWIAODLQJSTYHU-HXUWFJFHSA-N 314.473 3.690 0 40 DHAB CC(=O)N1CCCCCCN(CC2CC2)Cc2ccccc21 643563314 OTRHOYPOOLKUJW-UHFFFAOYSA-N 300.446 3.826 0 40 DHAB Cc1cccc(OCC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c1 1776008513 JDULXMMZENNWIL-ROUUACIJSA-N 311.425 3.864 0 40 DHAB CCn1c(C)[n+](CC)c2cc(C(=O)Nc3ccccc3)ccc21 243478 USQRPZWVIROVMA-UHFFFAOYSA-O 308.405 3.529 0 40 DHAB Cn1c2ccccc2n2c(CCC(=O)O)c(-c3ccccc3)nc12 255152 GJLXSDUQDKZCFE-UHFFFAOYSA-N 319.364 3.510 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1noc2c1CCCCC2 426563 WCBYPDMTXMQRMF-UHFFFAOYSA-N 308.740 3.988 0 40 DHAB CN1CCC(=C2c3ccccc3[C@H](O)Cc3sccc32)CC1 2027983 ZSHTUWQHLKCHLO-QGZVFWFLSA-N 311.450 3.865 0 40 DHAB Cc1nn2c(C(F)F)cc(C(F)F)nc2c1Br 2786371 KMLFDVLPIZVFRP-UHFFFAOYSA-N 312.064 3.675 0 40 DHAB CCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1 2797288 HRFBCRAAFBIOTO-HZPDHXFCSA-N 301.386 3.635 0 40 DHAB CCOC(=O)c1sc(NC(=O)Nc2ccccc2)cc1C 3242201 LIOCFOVPVPJWBE-UHFFFAOYSA-N 304.371 3.877 0 40 DHAB Cc1ccc(NC(=O)[C@@]23CC[C@@](C)([C@H](O)C2)C3(C)C)cc1C 4186210 NBKTZKPRHJRMLH-AYOQOUSVSA-N 301.430 3.819 0 40 DHAB O=C(OCc1c(F)cccc1Cl)c1n[nH]c2ccccc12 4824430 RWGIPRZRLHXJBS-UHFFFAOYSA-N 304.708 3.712 0 40 DHAB Cc1ccc(-c2nn(CN3CCC(C)CC3)c(=S)[nH]2)cc1 5067310 ROAGNROTXOZBRF-UHFFFAOYSA-N 302.447 3.606 0 40 DHAB CN(C)CCOC1=Nc2ccccc2O/C1=C\c1ccccc1 5492938 LGIFXGMQZXFXTI-JXAWBTAJSA-N 308.381 3.728 0 40 DHAB O=C(OCc1nc2ccccc2s1)c1n[nH]c2ccccc12 6370650 QGMQKVYNWMTHGK-UHFFFAOYSA-N 309.350 3.530 0 40 DHAB Cc1cc(C(=O)OCc2cn3cc(Cl)ccc3n2)c(C)o1 7745516 OYZYPPJMMXJTLE-UHFFFAOYSA-N 304.733 3.555 0 40 DHAB Cc1nnc(CSc2nnc(Nc3ccccc3C)s2)o1 7753649 UPCXHDHOPILDPC-UHFFFAOYSA-N 319.415 3.574 0 40 DHAB O=C(Cc1ccccc1F)Nc1ccccc1Br 7985391 ZMWLJAGYBSVCAN-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB COc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 8060857 BKVDVDYUYXAYQZ-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB Cc1ccc(CN(C)C(=O)c2ccc(-n3cccn3)cc2)c(C)c1 8097491 YAWDTHVRSNJTFD-UHFFFAOYSA-N 319.408 3.761 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)c(C)c2)c1 8355165 LLAOYQGAWKUORK-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB CC(C)CCOCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 8772996 UYQAOACITRHOIH-LLVKDONJSA-N 320.458 3.672 0 40 DHAB aggregator COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1C 11286298 RWLJFPFBODPNRO-GXDHUFHOSA-N 310.328 3.688 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2)c1C 12769555 CSZDQJIYGCJSIZ-UHFFFAOYSA-N 309.413 3.941 0 40 DHAB CCCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 12812410 PUUQXYAXHVVLMJ-UHFFFAOYSA-N 321.376 3.908 0 40 DHAB O=C(NCc1ccccn1)c1ccc(OCc2ccccc2)cc1 13200953 MEEOTDXSAIDUFC-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CCc1cccc(NC(=O)Cc2csc(-c3ccccn3)n2)c1 14136813 KDIVPSKXCLSFTL-UHFFFAOYSA-N 323.421 3.949 0 40 DHAB O=c1c2sccc2ncn1Cc1ccc(Cl)cc1Cl 16331197 MLMVUHSZVPEYBK-UHFFFAOYSA-N 311.193 3.813 0 40 DHAB Cc1ccc(-n2ncc3c(NCCC(C)C)ncnc32)cc1C 17120396 MFVGGTAAKLNXFO-UHFFFAOYSA-N 309.417 3.890 0 40 DHAB Cc1ccc2oc(C(=O)Nc3cc(F)ccc3C)cc(=O)c2c1 18115495 ODHBDQUTTAGSTA-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB Cc1ccccc1Oc1ccc(NC(=O)CCCC(=O)O)cc1 20095179 YLMCROZBKACOAF-UHFFFAOYSA-N 313.353 3.981 0 40 DHAB Cc1c(C(=O)NCCOc2ccccc2)oc2ccc(F)cc12 21318969 JNALOXPTONEGTB-UHFFFAOYSA-N 313.328 3.689 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CC1 21362771 QRSSKUWNCHSCFB-UHFFFAOYSA-N 321.405 3.875 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2F)cc1 22285374 CXLXHSGJLXGOST-KRWDZBQOSA-N 317.335 3.951 0 40 DHAB Cc1noc(CSc2nccn2-c2cccc(Cl)c2)n1 25408461 LMWWXYHGZFIAOT-UHFFFAOYSA-N 306.778 3.509 0 40 DHAB CCc1nnsc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 25467806 BYQUYOQDVIVFDV-UHFFFAOYSA-N 315.320 3.680 0 40 DHAB Cc1ccc(Cn2cc(NC(=O)CCc3ccccc3)cn2)cc1 27919911 VMDFYIVWTSNOFK-UHFFFAOYSA-N 319.408 3.811 0 40 DHAB O=C1c2cc(Br)ccc2[C@H]2OCc3ccccc3N12 35326824 YEEZQZSXCKFYCM-OAHLLOKOSA-N 316.154 3.638 0 40 DHAB CCCN1CCCc2cc(CCNC(=O)CC(C)C)ccc21 35588062 UTHHWXNOVZFGGK-UHFFFAOYSA-N 302.462 3.554 0 40 DHAB Cc1c(C(=O)N[C@H](C)c2ccccc2F)oc2c1C(=O)CCC2 40130351 YPLSKUWOAPBQOI-LLVKDONJSA-N 315.344 3.737 0 40 DHAB COc1cccc(CN(C)CCOc2ccc(C)cc2)c1OC 42364649 UMDUAULYRCQUNO-UHFFFAOYSA-N 315.413 3.523 0 40 DHAB CCc1ccc(OCCC2CCNCC2)c(Br)c1 42770574 NRNFDROSCVDTOA-UHFFFAOYSA-N 312.251 3.780 0 40 DHAB Cc1cc(NC(=O)N[C@H](c2cccs2)C2CCCC2)n(C)n1 43432496 JAXRNKIRSHZHOY-HNNXBMFYSA-N 318.446 3.843 0 40 DHAB O=C(CCc1ccccc1)Nc1ccc(Oc2ncccn2)cc1 48202758 ZKQVPDCLQVBSLK-UHFFFAOYSA-N 319.364 3.840 0 40 DHAB Cn1ccnc1[C@@H](NCc1cc(F)ccc1F)c1ccccc1 48710488 JBHMLENYWMARKK-KRWDZBQOSA-N 313.351 3.578 0 40 DHAB Cc1cc(C)c(OCC(=O)Nc2cc(N)ccc2C)c(Cl)c1 57340376 BNINYKXFTXWEJL-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2cnn(-c3ccccc3)n2)o1 58133748 HCKAXWOAKPHTDS-RDTXWAMCSA-N 322.412 3.616 0 40 DHAB O=C(Nc1cccc2ccccc12)N1CCC[C@@H](N2CCCC2)C1 71808118 ZWMSZTUXGFVZQN-QGZVFWFLSA-N 323.440 3.932 0 40 DHAB O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc2cc[nH]c2c1 72292255 HIJYVBBGYCBDJQ-QGZVFWFLSA-N 322.364 3.588 0 40 DHAB CN(Cc1ccc(Br)o1)C(=O)CC1CCCC1 73955149 SRKXPDFXAWQMQC-UHFFFAOYSA-N 300.196 3.581 0 40 DHAB COc1cc(Cl)ccc1C(=O)Nc1c(C)nn(C(C)C)c1C 74510605 XAIGCCSSCUSDDJ-UHFFFAOYSA-N 321.808 3.995 0 40 DHAB O=C(Nc1cc(Cl)ccn1)c1ccc(Br)cc1 75282890 OYHAURRCGMQSEK-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB NC(=S)c1ccc(-c2ccc(Cl)cc2Br)o1 78407058 WEJWFZOSBSNTTH-UHFFFAOYSA-N 316.607 3.997 0 40 DHAB CCN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 78477893 FMXGNOISIKQOPV-UHFFFAOYSA-N 309.818 3.551 0 40 DHAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(OC)cc1 80344792 PWOJZHNBNNOTFS-INIZCTEOSA-N 313.397 3.591 0 40 DHAB CN(Cc1cccc(OCc2ccccc2)c1)Cc1cnccn1 80966942 BHZVAZASXJIINJ-UHFFFAOYSA-N 319.408 3.688 0 40 DHAB CCc1ccc(-c2n[nH]c(SCc3nccn3CC)n2)cc1 83825260 FFAMRYDAMBIPRR-UHFFFAOYSA-N 313.430 3.543 0 40 DHAB O=C(CN(C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1)N1CCC1 89818290 YRVDDIDNXVPRNZ-MOPGFXCFSA-N 318.505 3.822 0 40 DHAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]1c1cccc2ccccc12 89873208 XKVHTAJLJLKICM-RTBURBONSA-N 302.377 3.655 0 40 DHAB CCc1nn(C)cc1NC(=O)N1CCc2sccc2[C@H]1CC 91197928 NBNHSYCYOAPWNH-CQSZACIVSA-N 318.446 3.585 0 40 DHAB Clc1cc2c(cn1)c(Br)nn2[C@@H]1CCCCO1 95631177 WTZHAHCGKLOTSG-JTQLQIEISA-N 316.586 3.546 0 40 DHAB CCc1nc(CN[C@@H](CC)c2ccc3c(c2)CCO3)cs1 95967820 XIHOGKHIUCXPKI-HNNXBMFYSA-N 302.443 3.881 0 40 DHAB C[C@@H](N[C@H](C)c1ccc(F)cc1OC(F)F)c1cnn(C)c1 95968478 QAYODACGUWAQHY-NXEZZACHSA-N 313.323 3.572 0 40 DHAB CSc1nsc(NC(=O)N(C2CC2)[C@H](C)c2ccco2)n1 96475967 OFYSVYZRJWMACB-MRVPVSSYSA-N 324.431 3.611 0 40 DHAB COc1ccc2oc([C@H](C)N[C@@H](C)c3nnc(C)o3)c(C)c2c1 97112130 WNFWQFFAZCZHGY-QWRGUYRKSA-N 315.373 3.853 0 40 DHAB COc1cc(C)c(CN2[C@@H]3CC[C@@H]2c2cnc(C)nc2C3)cc1C 100189474 ODFYFVAOVLTWEU-VQIMIIECSA-N 323.440 3.672 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100799287 JYMVMKPGYLWTLT-HVCLXXKLSA-N 313.397 3.662 0 40 DHAB CC(C)N(C[C@@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2)C(C)C 101244142 YTCOFICLLIPGED-YWTNHNAXSA-N 311.510 3.698 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC(C(C)C)C(C)C 113942515 SVZCYOXDNXWGLI-MRXNPFEDSA-N 307.434 3.649 0 40 DHAB C[C@H](C[C@@H](O)c1ccco1)NC1CCC(C(F)(F)F)CC1 123476491 WIVIAKIZNNRZAZ-IKWCTNDRSA-N 305.340 3.802 0 40 DHAB Cc1cccc(C2CC(NCc3cccnc3-n3ccnc3)C2)c1 154104970 RAEPJFCGHNUPCP-UHFFFAOYSA-N 318.424 3.612 0 40 DHAB COc1cc(C=O)cc(OC)c1OCc1ccc(F)cc1Cl 216808845 CQDZFQQMDLJUQE-UHFFFAOYSA-N 324.735 3.888 0 40 DHAB COC(=O)c1cc(Cl)ccc1-c1cc2ccccc2oc1=O 216935933 SHJGKAAXCRGRQS-UHFFFAOYSA-N 314.724 3.900 0 40 DHAB COc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c1 222614865 GBYBDRZLFHAQRZ-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB CCc1ccc(CC(=O)Nc2cccc(C(=O)OC)c2C)cc1 223628658 HCFBVFMYRQCGOS-UHFFFAOYSA-N 311.381 3.525 0 40 DHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(SC)cc1 224971442 WOZBXZIFAJDQRY-UHFFFAOYSA-N 321.467 3.932 0 40 DHAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3)ccc2c1 225094166 ZICGFTFFKIRLAN-UHFFFAOYSA-N 313.378 3.649 0 40 DHAB Cc1cccc2sc(OC3CN(C(=O)OC(C)(C)C)C3)nc12 225524535 KBLVPGKGOPJKAP-UHFFFAOYSA-N 320.414 3.603 0 40 DHAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1 225781187 YEXKESNEFDYEOJ-AWEZNQCLSA-N 300.427 3.749 0 40 DHAB Cc1occc1C(=O)N1c2ccc(Br)cc2C[C@@H]1C 225868402 FSAPNQHWDBIALG-VIFPVBQESA-N 320.186 3.942 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1-n1cccn1 248112559 OLZGUOVBTPRGNZ-CVYDXHPNSA-N 323.440 3.735 0 40 DHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O 409010703 DCQDOXIIRRCCDP-LUHPIMIVSA-N 305.399 3.838 0 40 DHAB Cc1cc(F)ccc1-c1ccc(CNC(C)(C)CC(=O)O)o1 515178099 GGQOCMBDIBYMLI-UHFFFAOYSA-N 305.349 3.737 0 40 DHAB CC[C@H]1CN(Cc2ccc(-c3cccc(F)c3C)o2)C[C@H]1O 535807592 UHXKNNFQGSNQFT-SUMWQHHRSA-N 303.377 3.597 0 40 DHAB CCc1ccc2nc(NC3=NC(C)=CC(C)(C)N3)nc(C)c2c1 575443920 XBLWKABGHJJXAJ-UHFFFAOYSA-N 309.417 3.554 0 40 DHAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)F)s2)CC1 575629382 UFNNQFANBOKJOY-UHFFFAOYSA-N 318.389 3.743 0 40 DHAB CSc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)co1 585132261 RNBRSALVXUIAQQ-UHFFFAOYSA-N 302.399 3.854 0 40 DHAB Cc1cccnc1OCC1CCN(C(=O)CC2CCCC2)CC1 585527009 ORQZNJWASVUIIR-UHFFFAOYSA-N 316.445 3.588 0 40 DHAB Brc1ccc(CNc2cc(C3CC3)ncn2)cc1 710101117 IZNNYOHKOBRABZ-UHFFFAOYSA-N 304.191 3.729 0 40 DHAB S=C1NC2(CCCCCCC2)NN1c1ccc(Cl)cc1 87893 QZUWJTHEFSBUKI-UHFFFAOYSA-N 309.866 3.980 0 40 DHAB CCOP(=O)(OCC)[C@@H]1[C@H](C)N1C(=O)Nc1ccccc1 1655556 KDAFSJFRCHBLIE-OBNKUBODSA-N 312.306 3.515 0 40 DHAB Nc1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)cc1 1728888 JSRRUKFZSFNXAC-UHFFFAOYSA-N 304.353 3.660 0 40 DHAB Cc1cc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)ccc1Cl 2532890 HWEKXNATKPHZJB-KKUMJFAQSA-N 311.853 3.651 0 40 DHAB O=C(NCc1ccccc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 3059183 ULUJOCPTYZTMRJ-CABCVRRESA-N 320.219 3.890 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)C1 4183206 SLJQCXKWMCDIOX-AVEIZBFRSA-N 311.510 3.557 0 40 DHAB c1ccc(-c2nnc(CN3CCCC[C@H]3c3cccnc3)o2)cc1 5021847 PUMMSKUXKAZGPS-KRWDZBQOSA-N 320.396 3.859 0 40 DHAB Cc1ccc(C)c(-c2nnc(NC(=O)CCc3ccccc3)o2)c1 5169679 MBUVECSLKHQOPN-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB CCCCCC[C@H]1NC[C@H](C(=O)O)c2c1[nH]c1ccccc21 5418372 OSWZLRKYNFSNQM-DZGCQCFKSA-N 300.402 3.951 0 40 DHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 5598849 ZYHIBMNJFPQDGF-UHFFFAOYSA-N 315.316 3.815 0 40 DHAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(Cl)c1 5627867 YMBZIMAXDDAEPW-UHFFFAOYSA-N 317.751 3.776 0 40 DHAB CCc1nonc1NC(=O)c1sc2ccccc2c1Cl 6743408 HHSLPJOGAWJPSL-UHFFFAOYSA-N 307.762 3.752 0 40 DHAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OC 6960507 BWFKEHUCICHLOO-QGZVFWFLSA-N 314.410 3.791 0 40 DHAB O=C(NCCCOC1CCCCC1)c1ccc2ccccc2n1 6988792 JAYPLWCNGAJPSK-UHFFFAOYSA-N 312.413 3.704 0 40 DHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 7402724 ZXQZYPZYXZSXEG-UHFFFAOYSA-N 323.801 3.652 0 40 DHAB CC(C)(C)c1ccc(NC(=O)Cc2cn3ccsc3n2)cc1 8281216 ULWIYOQYOBXTCC-UHFFFAOYSA-N 313.426 3.875 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)ccc2F)c1C 8775758 QJWVHOXEYNRMQH-UHFFFAOYSA-N 308.740 3.879 0 40 DHAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(C)c3)C2)c1 9576750 WRLPIRPJMYKPID-LJQANCHMSA-N 308.381 3.701 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c1 12535921 ZJKSIXIBCIRMPZ-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CC(=O)Nc1cccc(NC(=O)/C=C/c2cccs2)c1C 12933195 FRDYZBCEVKFYGX-CMDGGOBGSA-N 300.383 3.667 0 40 DHAB O=C(Nc1ccccc1C(=O)O)c1ccc(C(F)(F)F)cc1 13094971 QTXWTCKVSMDZIQ-UHFFFAOYSA-N 309.243 3.656 0 40 DHAB CC(C)(C)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 13250287 YLNPUNKCNWAQOT-UHFFFAOYSA-N 303.402 3.958 0 40 DHAB C[C@H]1CCC[C@H](C)N1Cc1nc(-c2cccnc2Cl)no1 13992547 PNQYUOZSVJQINS-QWRGUYRKSA-N 306.797 3.548 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F 14202109 QOLUCLJTPIVATD-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB COc1ccc2c(CC(=O)N[C@H]3CCc4ccccc43)coc2c1 16471987 PPJMPVPFZFJCNI-SFHVURJKSA-N 321.376 3.788 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)s1 17303911 UQMLPBMBAJXLCP-UHFFFAOYSA-N 322.187 3.639 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(C)ccc1OC 20452365 BEGNLDBDQFKBBF-AWEZNQCLSA-N 313.397 3.972 0 40 DHAB COc1ccc([C@H](NC(=O)c2ccccn2)c2ccccc2)cc1 21830294 KOYWRPQVCNTELU-LJQANCHMSA-N 318.376 3.610 0 40 DHAB Cc1ccoc1C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 23730937 ZYWVVBNWUBVGKJ-UHFFFAOYSA-N 323.396 3.663 0 40 DHAB Fc1cc(F)c2c(c1)CCCN2Cc1nc(-c2ccco2)no1 26727133 XHAIGABKURAHTJ-UHFFFAOYSA-N 317.295 3.561 0 40 DHAB COC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1Cl 26880128 HIAFYGDDDVARDX-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB CCOc1ncccc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 30308814 ITTAXCWPMSUCAF-UHFFFAOYSA-N 323.396 3.508 0 40 DHAB COc1ccc(NC(=O)CCCc2nc3ccccc3o2)cc1 31809580 XDUFPWLSDPOAPB-UHFFFAOYSA-N 310.353 3.798 0 40 DHAB COc1ccc(C(=O)NCCCO[C@H](C)c2ccccc2)cc1 32907544 BOODCENDSDRHGO-OAHLLOKOSA-N 313.397 3.593 0 40 DHAB O=C(O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 32918490 CKHFRWWYBIJTRH-UHFFFAOYSA-N 310.284 3.773 0 40 DHAB Cc1ccc(C[C@H]2CN(C)CC[C@H]2NCc2ccccc2)cc1 34797524 XEDADXIAJZKBRM-LEWJYISDSA-N 308.469 3.648 0 40 DHAB biogenic Cc1ccc(/C=C2/N=C(S)N(c3ccccc3)C2=O)s1 34927088 GSWBNTZZGZWFHG-UKTHLTGXSA-N 300.408 3.730 0 40 DHAB CC(=O)N1CCC(NCc2sc3ccccc3c2Cl)CC1 37977307 QZQLPFOJJMHMER-UHFFFAOYSA-N 322.861 3.655 0 40 DHAB CC(C)(C)n1nc(C(=O)NC2CCCCCC2)cc1C1CC1 42710519 NKXFLYXGORFIOB-UHFFFAOYSA-N 303.450 3.968 0 40 DHAB C[C@H]1c2ccsc2CCN1Cc1nc(-c2ccco2)no1 44073303 MBONDCCFARFCIJ-JTQLQIEISA-N 301.371 3.510 0 40 DHAB CN(Cc1ccccc1)CN1C(=O)c2cccc3cccc1c23 57815951 AVURMAHQLPNVJB-UHFFFAOYSA-N 302.377 3.890 0 40 DHAB CC[C@H](C)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 58225212 YZQHSURUMOVGBP-ZDUSSCGKSA-N 317.408 3.653 0 40 DHAB S=c1oc(COc2ccccc2)nn1CN1CCCCCC1 59484597 LECXYWHWUJWGRR-UHFFFAOYSA-N 319.430 3.618 0 40 DHAB COc1cc(NC(=O)N[C@@H](C)c2cc(C)oc2C)cc(OC)c1 65356587 FCTAWZZUDMTBQC-NSHDSACASA-N 318.373 3.796 0 40 DHAB O=C(NCCOc1ccccc1)N(Cc1ccsc1)C1CC1 65442857 FQNJYTBMTLAESQ-UHFFFAOYSA-N 316.426 3.501 0 40 DHAB CC(C)c1ccc(C[S@@](=O)CCC(=O)NC2CCCC2)cc1 69817974 QQLXQZRKSWJKJQ-JOCHJYFZSA-N 321.486 3.508 0 40 DHAB Fc1cccc(-c2noc(C3(c4ccccc4)CCOCC3)n2)c1 71890055 KWMAQCHKMLOQED-UHFFFAOYSA-N 324.355 3.972 0 40 DHAB O=C(O)C1=NN(c2cccc(Cl)c2)[C@@H](c2ccccc2)C1 71979150 FJGHRRTYULDIFM-OAHLLOKOSA-N 300.745 3.732 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 72214292 SRAITYSBLGYUBK-GOSISDBHSA-N 309.413 3.923 0 40 DHAB CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215307 GWCSBVCYCUIHJO-HNNXBMFYSA-N 317.433 3.752 0 40 DHAB N=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 75149083 UVAOXTRNBJLQQE-CQSZACIVSA-N 316.813 3.966 0 40 DHAB Cc1cc(C)c2c(N)c(-c3cn(-c4ccccc4)nn3)sc2n1 78546616 FQZKDBDMFSJZIY-UHFFFAOYSA-N 321.409 3.743 0 40 DHAB Cc1ccc2oc(C(=O)N(C)[C@@H](C)Cc3ccsc3)cc2n1 81402748 MJXFOVIAXDOUSA-LBPRGKRZSA-N 314.410 3.901 0 40 DHAB Cc1cc(C)c(CNC(=O)c2cc(C)nc3onc(C)c23)c(C)c1 84074688 OWHHTDQAMNFPDC-UHFFFAOYSA-N 323.396 3.695 0 40 DHAB C[C@@H]1C[C@H](NCCc2ccccc2F)CN1Cc1ccccc1 95419363 JAPHTMCASRQQGO-APWZRJJASA-N 312.432 3.621 0 40 DHAB Cc1ccsc1CNc1cccc(N2CCCNC2=O)c1 95429341 WISWGFBKIBVJIN-UHFFFAOYSA-N 301.415 3.588 0 40 DHAB C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCCc1ccccc1F 95455500 OEFKDZZTXCQPOH-ZIAGYGMSSA-N 324.440 3.650 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)OCc1cncs1 95997554 HFAPOWGTCWNFOT-UHFFFAOYSA-N 312.394 3.594 0 40 DHAB CC[C@@H](C)C[S@@](=O)Cc1ccc(-n2nc(C)cc2C)cc1 97115182 ZAKYDIKZQJDHGA-ASSNKEHSSA-N 304.459 3.784 0 40 DHAB Cc1ccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)c(C)c1 101275333 TYWWZNIQAQQJQL-INIZCTEOSA-N 322.408 3.664 0 40 DHAB C[C@@H](NC(=O)OC(C)(C)C)c1ncc(Br)cc1F 147118791 HKXACTQRBSSCDB-SSDOTTSWSA-N 319.174 3.569 0 40 DHAB Cc1ccc(C)c(OCC(=O)NCCCc2ccc(F)cc2)c1 218950010 MDPUOESIJPMXBC-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB Cc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)cc1C 225419412 WISPLTDPYKIRBL-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1 225700049 UQZNAGGZJXGVQO-SFHVURJKSA-N 323.433 3.636 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225778455 CFGSKLFXCUVBPS-INMHGKMJSA-N 301.430 3.802 0 40 DHAB CCCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1C 226287510 BJUWZKRUKWOKCX-UHFFFAOYSA-N 308.381 3.894 0 40 DHAB COc1cccc2c1N([C@@H](C(=O)O)C(C)C)C(C)(C)C[C@H]2C 260613226 DZRXVEJZEHETKA-IUODEOHRSA-N 305.418 3.897 0 40 DHAB O=C(NCc1cncc(-c2ccoc2)c1)c1c[nH]c2ccccc12 575621108 UVQADFQLYMUJLZ-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB O=C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523073 YJHPXIMCPJNFFA-STQMWFEESA-N 315.804 3.545 0 40 DHAB Cc1ccc(OCC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776009256 YSHGYVCMJNAQCC-ROUUACIJSA-N 311.425 3.864 0 40 DHAB COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1 90354 KTUXKFMNVISAKF-UHFFFAOYSA-N 320.396 3.982 0 40 DHAB Cc1ccc(NC2=CC(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1 149908 HZVLTSLQYFNQAB-UHFFFAOYSA-N 320.392 3.789 0 40 DHAB O=C1N(c2cccc(Cl)c2)[C@@H](c2ccccc2)N2CCCN12 549067 QJOAGIGJWYFXBX-INIZCTEOSA-N 313.788 3.902 0 40 DHAB CN(C[C@H](O)COc1ccccc1C(C)(C)C)C1CCCCC1 1475524 RIXILAJGJJCOJW-KRWDZBQOSA-N 319.489 3.988 0 40 DHAB CC(=O)Oc1ccc(Cl)cc1CN(C(C)=O)C1CCCCC1 1679791 VMLJVSHKMNWYJK-UHFFFAOYSA-N 323.820 3.947 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCCc2ccccc21 3333204 XSZLXQMMASJQJP-KAMXEHQASA-N 321.376 3.622 0 40 DHAB COc1ccccc1OCC(=O)Nc1ccc2ccccc2c1 3383447 XGMFBUXZWXWTGT-UHFFFAOYSA-N 307.349 3.866 0 40 DHAB O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nc2ccccc12 4002911 HCRZRFOGGSBFAC-UHFFFAOYSA-N 305.259 3.686 0 40 DHAB COc1ccc(CNc2ccc(-c3ccc(OC)cc3)nn2)cc1 4373166 LEHKAAGLGIMGNW-UHFFFAOYSA-N 321.380 3.773 0 40 DHAB Clc1ccc(CSc2nnc(-c3ccccn3)[nH]2)cc1 4488113 MVAIXEVSPVFDBM-UHFFFAOYSA-N 302.790 3.812 0 40 DHAB CCCCCC(=O)NC(=S)Nc1ccc(OC)c(Cl)c1 4525875 WRYKFMWPVZEEAW-UHFFFAOYSA-N 314.838 3.742 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(OC(F)F)c1 5557320 AKOWRXWRQSOQSE-UHFFFAOYSA-N 321.367 3.987 0 40 DHAB CSc1nc(Cl)c2sc3c(c2n1)COC(C)(C)C3 6754954 RNKVJUPEMKLRRQ-UHFFFAOYSA-N 300.836 3.918 0 40 DHAB O=c1[nH]c(/C=C/c2ccc(F)cc2)nc2sc3c(c12)CCC3 7488530 WXKNKAJRTHABNQ-RMKNXTFCSA-N 312.369 3.783 0 40 DHAB Fc1ccccc1CCNc1ncnc2sc3c(c12)CCC3 8040677 QCQLFUPAZLIJDM-UHFFFAOYSA-N 313.401 3.974 0 40 DHAB Cc1cc(C)c(NC(=O)CC2(C(=O)O)CCCCC2)c(C)c1 8746194 MRIXIBYLUVQKLL-UHFFFAOYSA-N 303.402 3.976 0 40 DHAB Cc1cccc(NC(=O)N2CCN(c3cc(C)ccc3C)CC2)c1 9877138 CHKMCPWHUPLTOH-UHFFFAOYSA-N 323.440 3.966 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10503888 AZRXLSAFDJFLIY-INIZCTEOSA-N 319.408 3.891 0 40 DHAB Fc1ccc(CNc2c(-c3ccco3)nc3cnccn23)cc1 12113776 NPDGGKROWWPUBR-UHFFFAOYSA-N 308.316 3.741 0 40 DHAB Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc2[nH]ccc2c1 12408720 ICVNYPRBCKRKDO-UHFFFAOYSA-N 322.393 3.976 0 40 DHAB O=C1NC(=O)/C(=C/c2ccccc2Oc2ccc(F)cc2)S1 12958949 GDCSHDGILZEZIJ-ZROIWOOFSA-N 315.325 3.942 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1 13391016 CBOBUUDWWXBONL-UHFFFAOYSA-N 313.353 3.734 0 40 DHAB COc1ccc([C@H](C)NC(=S)Nc2ccc(F)cc2)cc1 13932633 MNKMMTDIFWOCTP-NSHDSACASA-N 304.390 3.882 0 40 DHAB O=C(NCCc1ccccc1)c1ccc2c3c(cccc13)CC2 14051841 PQEGHGVXQKRXPT-UHFFFAOYSA-N 301.389 3.911 0 40 DHAB O=c1oc2c3c4c(cc2cc1-c1cccnc1)CCCN4CCC3 16429963 OEEAIIVRKIVRNX-UHFFFAOYSA-N 318.376 3.554 0 40 DHAB in-vitro COc1cccc(Nc2nc([C@H]3CCCNC3)c3ccccn23)c1 19565930 WMNOPXDUVADHSY-AWEZNQCLSA-N 322.412 3.554 0 40 DHAB Cc1cc(OCC(=O)Nc2cc(N)ccc2C)ccc1Cl 19736049 GEUWSDLHVJIJNY-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1ccc(CCCNC(=O)Cc2cc(C)ccc2C)cc1 20490657 VEUDQZDTNCLNGX-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB COc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 25311996 XYZMJGMIIUVGER-ZIAGYGMSSA-N 303.308 3.716 0 40 DHAB COC(=O)c1cccc(NC(=O)C(C)(C)c2ccccc2)c1C 29159072 IFACXRQQYRLISK-UHFFFAOYSA-N 311.381 3.698 0 40 DHAB Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2)N(C)C)c(C)c1 29689902 HLEYIAZXCACACM-FQEVSTJZSA-N 324.468 3.655 0 40 DHAB O=C(NCc1cccs1)c1ccc(-n2cc[nH]c2=S)cc1 32628427 AMCPIESVHBXWKY-UHFFFAOYSA-N 315.423 3.526 0 40 DHAB N[C@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccccc1 37799819 QCGWXFZNCUJJHK-CABCVRRESA-N 300.427 3.502 0 40 DHAB O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCCCC1 38909530 ICPMYUDPIJNGRE-UHFFFAOYSA-N 311.410 3.918 0 40 DHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@@H]2CCCC[C@H]21 40034748 NYBZHMDIXBMSDM-PKOBYXMFSA-N 323.440 3.726 0 40 DHAB O=C(Nc1nc(-c2ccco2)cs1)c1cc(F)cc(F)c1 40111445 PCVMBADZUNURBE-UHFFFAOYSA-N 306.293 3.934 0 40 DHAB CC(C)c1noc([C@H](C)Nc2ccc3c(c2)OCCCO3)n1 43801022 RVDXTSHWOAUYAH-NSHDSACASA-N 303.362 3.527 0 40 DHAB C[C@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1ccccn1 45559974 UORPWVCIQQNJBE-SWLSCSKDSA-N 313.426 3.679 0 40 DHAB CCc1ccc2oc(-c3cccc(-n4cnnc4)c3C)nc2c1 45920653 GJYQPXIUTKIFCL-UHFFFAOYSA-N 304.353 3.946 0 40 DHAB Clc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)[nH]n2)cc1 57510952 CUPXZUDTVVWAQT-UHFFFAOYSA-N 323.743 3.842 0 40 DHAB Cc1cc([C@@H](C)NC(=O)CCC(=O)c2cccs2)c(C)o1 58283102 BIQAEJAXAWVHHF-LLVKDONJSA-N 305.399 3.798 0 40 DHAB O=C(CC[C@H]1CCCO1)OCc1csc(Br)c1 58938178 MFJDXYOTQXJDRN-SNVBAGLBSA-N 319.220 3.513 0 40 DHAB Cc1sc(-c2ccoc2)nc1-c1ccc2c(c1)NC(=O)CO2 69653901 LGWXEKUBNLYPGH-UHFFFAOYSA-N 312.350 3.709 0 40 DHAB Cc1ccc2cc(C(=O)N[C@@H](C)c3c(C)noc3C)c(C)nc2c1 70952816 NPSBOVNTXCLLTO-LBPRGKRZSA-N 323.396 3.947 0 40 DHAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)C2 71818762 UQYOUMNQGQJWAL-NVXWUHKLSA-N 312.438 3.704 0 40 DHAB CCCN1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214380 YAWHDDMFCOZZIY-AWEZNQCLSA-N 305.422 3.976 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)sc1C 72297452 RPWPYEDOTDSPOA-HUUCEWRRSA-N 304.459 3.822 0 40 DHAB Fc1ccccc1CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccccc2)C1 72395172 FHDIBVUVCMAZNG-ZWKOTPCHSA-N 321.399 3.932 0 40 DHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc2[nH]ncc12 75635129 QTVOPMNKKZCJDO-GOSISDBHSA-N 322.412 3.659 0 40 DHAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1cnccn1 77465670 WLQYANOYRZBJSR-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB COc1ccc(Cl)cc1C[S@@](=O)Cc1csc(C)n1 78556135 ZEOJQBXCILXBIO-IBGZPJMESA-N 315.847 3.562 0 40 DHAB C/C=C/CCNC(=O)c1sc(C)c(Br)c1OC 80302058 XQBLZZYHOSHXFG-SNAWJCMRSA-N 318.236 3.524 0 40 DHAB O=C(CSCC(F)(F)F)Nc1cccc2c1CCCC2 90113514 HLHXJUSMJDXGEL-UHFFFAOYSA-N 303.349 3.799 0 40 DHAB CC[C@H](C)Oc1cccc(NC(=O)N2C[C@@H](C)OC[C@@H]2C)c1 95454941 UIEOXTPWMKCNPI-MELADBBJSA-N 306.406 3.505 0 40 DHAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1ccon1 95961002 ZKVBPVMPLWRDBP-UHFFFAOYSA-N 321.442 3.704 0 40 DHAB CO[C@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1C 96104948 LDKGOAAFKZEUAK-GOSISDBHSA-N 308.381 3.594 0 40 DHAB Cc1nccn1-c1ccc(NC(=O)c2cc(C(C)C)on2)cc1 96181200 JZAVAAMKCAEKID-UHFFFAOYSA-N 310.357 3.544 0 40 DHAB CCOC(=O)Nc1ccc(OCc2ccn(C(C)C)n2)cc1 96408695 PKJMNBKDXXLHRI-UHFFFAOYSA-N 303.362 3.611 0 40 DHAB CCO[C@H]1C[C@H](NCc2nc3ccccc3o2)C1(CC)CC 97164320 LLMUKIKUYXFHMS-HOTGVXAUSA-N 302.418 3.901 0 40 DHAB CC(C)Cc1nnc([C@H](C)[S@@](=O)[C@@H](C)c2ccccc2F)o1 97227792 DNSPLNPIRYYBQN-YEZLUTFDSA-N 324.421 3.978 0 40 DHAB Fc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2Cc2ccncc2)cc1 100113179 VQWMKTDYCZUVSX-IEZWGBDMSA-N 312.388 3.653 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c(C)c1 101275270 GOJUNXJPDZWFSX-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CC(C)[C@@H]1CCCCN1C(=O)Nc1ccccc1C[S@](C)=O 160308998 QBZRFIZUBIDNMF-KSFYIVLOSA-N 322.474 3.608 0 40 DHAB CCc1nc(S/C(=C\c2ccc(C(C)C)cc2)C(=O)O)n[nH]1 213393773 LAKLRRRDNXNNNX-LCYFTJDESA-N 317.414 3.708 0 40 DHAB CCOc1cc(CNCCCOC)ccc1OC1CCCC1 225157837 COWHHYVIJTZYSV-UHFFFAOYSA-N 307.434 3.533 0 40 DHAB CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)c(C)n1 225909098 GQANTKNLGMTLLF-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB COc1ccc(C(=O)CCc2ccc(F)c(F)c2)cc1OC 228977146 UBJTUZCRWCLGMT-UHFFFAOYSA-N 306.308 3.798 0 40 DHAB Cc1ccc(C(=O)Oc2c(C)cc(/C=C/C(=O)O)cc2C)cc1 256053252 QRVYPBHOQCPNJL-RMKNXTFCSA-N 310.349 3.929 0 40 DHAB C[C@@H](C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2)cn1 257173706 VHTIPHNOZGENHR-ZDUSSCGKSA-N 309.344 3.889 0 40 DHAB Cc1ccc(C(=O)N2CCn3c(-c4ccsc4)cnc3C2)cc1 306126987 FKXCBXNQHVUKAP-UHFFFAOYSA-N 323.421 3.576 0 40 DHAB O=C(c1sccc1Br)C(F)(F)Br 307016682 VKIAYGSPLPQRTQ-UHFFFAOYSA-N 319.952 3.681 0 40 DHAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN1 953000200 XVBJNMAMQWPEDG-OAQYLSRUSA-N 322.452 3.543 0 40 DHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1cccs1 1775967079 DRSVIROOUUDTNL-JTQLQIEISA-N 319.407 3.533 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3c(C)cc(C)cc3C)C(=O)[C@@H]21 62798 KJGGFEKXMLNCIU-YJEJQGFLSA-N 321.420 3.870 0 40 DHAB CCOC(=O)c1sc(=S)n(-c2cc(C)cc(C)c2)c1N 425160 NDCOSJCHFNBWDC-UHFFFAOYSA-N 308.428 3.644 0 40 DHAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cccc(O)c3)c2C1 426622 JIVYSSRXEREDAF-NSHDSACASA-N 314.385 3.784 0 40 DHAB CCOC(=O)N1C[C@@H]2CCc3c(ccc4ccccc34)N2C1=O 1703310 FIPVWUODQUBAAW-ZDUSSCGKSA-N 310.353 3.553 0 40 DHAB CCCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O 2240835 KVAYYZKFHAVNCS-UHFFFAOYSA-N 308.381 3.872 0 40 DHAB CC(C)=CC/C=C1/CC[C@H]2C(=O)N(c3ccccc3)NC(=O)[C@H]2C1 4028884 LAQLAJSRFNHUCR-FZLPANGMSA-N 324.424 3.763 0 40 DHAB biogenic O=C(c1ccccc1F)N1CCN=C1SCc1ccccc1 4119806 FDJBEBDFOLFOBT-UHFFFAOYSA-N 314.385 3.571 0 40 DHAB COCc1cccc(C(=O)Nc2ccc(OC(F)F)cc2)c1 5279335 YYIFITBVTPGLOF-UHFFFAOYSA-N 307.296 3.687 0 40 DHAB CC(=O)Nc1ccc(SCC(=O)c2cc(F)ccc2F)cc1 6560137 LOJRUSUHSSOEPT-UHFFFAOYSA-N 321.348 3.898 0 40 DHAB Cc1nnc(SCc2ncc(-c3ccccc3)o2)n1C1CC1 7617716 ICXRAXHFHUBZCR-UHFFFAOYSA-N 312.398 3.869 0 40 DHAB CCc1ccc2nc(NC(=O)c3cn4ccccc4n3)sc2c1 8710263 BFNIBWUQCXKGPW-UHFFFAOYSA-N 322.393 3.759 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C 12593207 ORSVJMMKOQICNO-LBPRGKRZSA-N 303.793 3.791 0 40 DHAB COc1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1 12618575 VWBGGDCYOSSIBW-MDZDMXLPSA-N 319.307 3.949 0 40 DHAB O=C(NCc1ccccc1)c1csc(-c2cccs2)n1 12768854 MUDQHTLBYGLLQW-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB CCC(C)(C)NCC(=O)Nc1ccccc1C(=O)c1ccccc1 12792527 HLXGNKNNLDQLEB-UHFFFAOYSA-N 324.424 3.634 0 40 DHAB O=C(/C=C/c1ccc(Cl)s1)NCCc1ccc(F)cc1 14283905 GSRSMGZABIPHNH-SOFGYWHQSA-N 309.793 3.913 0 40 DHAB CS(=O)(=O)c1ccc(-c2csc(NC3CCCC3)n2)cc1 15590256 JPOPEVKCFLHXNW-UHFFFAOYSA-N 322.455 3.568 0 40 DHAB Cc1cc(Nc2ccc(C)c(F)c2)n2nc(-c3ccco3)nc2n1 15780269 MNGNDNJHOYEFMA-UHFFFAOYSA-N 323.331 3.884 0 40 DHAB O=C1NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1 16807374 ORRXLFZJXFPOJA-GHXNOFRVSA-N 305.742 3.924 0 40 DHAB O=C(CC1CCCC1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19346880 YLHAFTCVLSBMGP-MRXNPFEDSA-N 311.429 3.849 0 40 DHAB CC(C)CC[C@]1(CCN2CCN(C)CC2)CCO[C@H](C(C)C)C1 20648160 IPORIWFJIBWFBV-PMACEKPBSA-N 324.553 3.882 0 40 DHAB Cc1ccc(S[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1 23244261 IPABTFXONYVADR-CQSZACIVSA-N 317.429 3.974 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(F)cc1 25454155 KQTNDFJVMVLITQ-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB CCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)ccc21 27981670 SGXZKZOHZMBQFE-STQMWFEESA-N 314.429 3.527 0 40 DHAB O=C(OCc1nc2ccccc2o1)c1cccc2ncccc12 32872083 NXNQKCRFDRKITR-UHFFFAOYSA-N 304.305 3.733 0 40 DHAB COc1cc(C=O)cc(OC)c1OCc1ccc(Cl)cc1 35206176 UEYFYBZDCLXCTN-UHFFFAOYSA-N 306.745 3.749 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 36655887 HDWDFQCOCPBEAT-JZXOWHBKSA-N 319.489 3.702 0 40 DHAB COc1cccc(COC(=O)Cc2coc(-c3ccccc3)n2)c1 37123905 DYKAAZAGFQLZMH-UHFFFAOYSA-N 323.348 3.636 0 40 DHAB COc1ccc(NCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 40174469 JCXMFSYQYAGLHC-UHFFFAOYSA-N 314.776 3.746 0 40 DHAB CC(C)Oc1ccc(CNC(=O)CCc2ccccc2F)cc1 45431152 ONCGLGIOAPCICB-UHFFFAOYSA-N 315.388 3.862 0 40 DHAB Cc1cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c(C)s1 48807270 WMODPVHAKXVUBS-UHFFFAOYSA-N 309.774 3.969 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)Nc1cccc(F)c1)n2C 49728959 RESHVPWTEHFHHY-UHFFFAOYSA-N 312.344 3.968 0 40 DHAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccc(CN2CCCC2)c1 67813685 OZBILATVXWOPSI-VQTJNVASSA-N 320.436 3.568 0 40 DHAB CCCNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213192 PQJHBAMRBNIOEK-CQSZACIVSA-N 305.422 3.976 0 40 DHAB CCCOc1cccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c1 75104495 YZIXVMBPKBUQIP-WMZOPIPTSA-N 319.445 3.656 0 40 DHAB O=c1ccn(Cc2coc(-c3cccs3)n2)c2ccccc12 75142119 IXIVFEYXQLFYAA-UHFFFAOYSA-N 308.362 3.766 0 40 DHAB CC(C)C(=O)N1CC[C@H](NCc2ccc3ccccc3c2)[C@H](C)C1 76057416 ZLHJIEDJGZYRTR-UZLBHIALSA-N 324.468 3.822 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)N2C[C@H](C)CCC[C@H]2C)c1 76068750 OUIXQPDGRZXZAA-TZMCWYRMSA-N 318.417 3.824 0 40 DHAB Cc1nc2c(s1)[C@H](NCc1ccn(C3CCCC3)n1)CCC2 90547187 JZYOKSYKESIUAJ-OAHLLOKOSA-N 316.474 3.930 0 40 DHAB CCc1nc(NC(=O)c2ccc(C(C)=O)cc2F)sc1C 95464310 LBFZWEMMJBXFTA-UHFFFAOYSA-N 306.362 3.608 0 40 DHAB CCN(C(=O)Cc1csc(C(C)C)n1)c1nc(C)cs1 95960740 GBKORJRKSFTFRH-UHFFFAOYSA-N 309.460 3.627 0 40 DHAB COc1cc(C(=O)N(C2CC2)[C@@H](C)c2ccccn2)ccc1F 96476080 XMSKLIJPAJVMHE-LBPRGKRZSA-N 314.360 3.595 0 40 DHAB c1ccc(COC[C@H](NC2CCOCC2)c2ccccc2)cc1 97017055 WNBVFLVGCFCHKF-FQEVSTJZSA-N 311.425 3.713 0 40 DHAB Cc1nc(NC(=O)c2ccccc2C(F)(F)F)cc(C2CC2)n1 97019847 VDBOISQCQWIDDX-UHFFFAOYSA-N 321.302 3.934 0 40 DHAB C[C@H](NC[C@@H](O)COCC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 104492844 LPUMTQRKKILSNT-APQLOABGSA-N 317.473 3.541 0 40 DHAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 106858212 OGEMETWMVAMJBN-VWNJHIHFSA-N 300.446 3.994 0 40 DHAB CCS[C@@H]1CC[C@@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C1 108371654 LMJQIDCAWGDGFR-BPLDGKMQSA-N 318.490 3.671 0 40 DHAB CCc1onc(C)c1NC(=O)Nc1cccc(Cl)c1COC 162814578 WJUFLHLETXGVHB-UHFFFAOYSA-N 323.780 3.989 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)c2cc3ccccc3o2)cc1 219947955 LAROFRCHMQXQHM-AWEZNQCLSA-N 309.365 3.939 0 40 DHAB CCOC(=O)c1sc(Nc2cc(C)ccc2OC)nc1C 223452828 OIEHDBNDPTXKHQ-UHFFFAOYSA-N 306.387 3.689 0 40 DHAB NCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 225295470 GWFNULWJYXBVIQ-UHFFFAOYSA-N 320.223 3.893 0 40 DHAB CCCCNC(=S)Nc1ccc(Cl)c(C(=O)OCC)c1 225374231 AUXLBFNENIAXSH-UHFFFAOYSA-N 314.838 3.603 0 40 DHAB Cc1ccc(CNC(=O)Cc2cccc(Br)c2)cc1 225612994 WBVIRQPXYVBDFK-UHFFFAOYSA-N 318.214 3.616 0 40 DHAB CCN(CC)c1ccc(N)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 226323922 OVRWMNNKEMKTEB-OKILXGFUSA-N 303.450 3.518 0 40 DHAB C[C@H]1CC[C@H]1COc1cccc(I)c1 242648748 RFVHRHWKAUGMAG-UWVGGRQHSA-N 302.155 3.716 0 40 DHAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12 248157145 VXWFTHKDKWPKSE-RTWAWAEBSA-N 324.443 3.674 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCN(Cc2cccc3cccnc23)C1 257231269 GFZLSESQACIFAB-MRXNPFEDSA-N 306.413 3.646 0 40 DHAB CC[C@@H](C)OCc1c(Br)cnn1CC(F)(F)F 408717202 WVYPOBLYDMLEKQ-SSDOTTSWSA-N 315.133 3.523 0 40 DHAB Clc1cccc(CSc2n[nH]c(-c3ccccn3)n2)c1 522684024 KCTPOSYJEJOWMD-UHFFFAOYSA-N 302.790 3.812 0 40 DHAB CC(=O)Oc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 60697 RSNOELGOFOMMEK-UHFFFAOYSA-N 307.708 3.657 0 40 DHAB O=C(NCc1ccncc1)C1c2ccccc2Oc2ccccc21 183854 ZWSKECCMDHHLAV-UHFFFAOYSA-N 316.360 3.636 0 40 DHAB O=c1c(Cl)c(NC2CCCCC2)cnn1-c1ccccc1 272751 DHKVYRJWSACVAP-UHFFFAOYSA-N 303.793 3.631 0 40 DHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(F)c2)c1 505899 ZCOVHDKKGSFDJK-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB COc1ccc(CNC(=O)[C@@H](C)SCc2ccccc2)cc1 566372 AXOCUPLIPMCXPA-CQSZACIVSA-N 315.438 3.633 0 40 DHAB Oc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 784490 SLJUBZLCUKKJLU-UHFFFAOYSA-N 300.339 3.671 0 40 DHAB CCCC(=O)Nc1ccc2[nH]c(-c3ccc(OC)cc3)nc2c1 1252839 LRUIDKNXPRRDMK-UHFFFAOYSA-N 309.369 3.977 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2cccs2)cc1Cl 1961870 BHPIGKUHRUNLLN-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB C[C@@H](COc1ccc(Cl)cc1)OC(=O)Cc1ccccc1 2046290 QTIFCYQKRFOZPW-ZDUSSCGKSA-N 304.773 3.893 0 40 DHAB Cc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1C 2713229 TWMDWYWSHGUTOL-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)CCC2 3401113 MXYPGMVUDRAKFG-CQSZACIVSA-N 306.409 3.565 0 40 DHAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2c(C)cccc2C)C1 4651521 ZTXFNELASGUFNI-LSDHHAIUSA-N 301.386 3.689 0 40 DHAB O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 4739263 JCPHBFCBAFOPKP-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB Cc1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 5032304 SJZFYKXHEYQZGX-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB O=C(CSc1ccc(F)cc1)Nc1ccnn1C1CCCC1 5204088 XOZKYTIABKAKPE-UHFFFAOYSA-N 319.405 3.868 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(N)c2)cc1 6422006 WYHKONLTTBVNST-LLVKDONJSA-N 317.772 3.659 0 40 DHAB COc1ccc(-c2nc(C)c(C(=O)NCC(C)C)s2)cc1 6764629 BFRKXMCBRXYNIQ-UHFFFAOYSA-N 304.415 3.513 0 40 DHAB Cc1ccc2oc(C(=O)Nc3c(C)cccc3C)cc(=O)c2c1 6811217 AFXSGABOGXSHOV-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB COC(=O)c1ccc(OCC(=O)c2ccc3ccccc3c2)cc1 6914160 WYQQHNSNLULFQK-UHFFFAOYSA-N 320.344 3.888 0 40 DHAB CC(C)c1ccccc1-n1ccnc1S[C@H](C)C(=O)N(C)C 6933587 QAOGFQUTIMLDDX-CYBMUJFWSA-N 317.458 3.565 0 40 DHAB C[C@@]1(C(=O)OCc2cc(-c3ccco3)on2)CC1(Cl)Cl 7094222 KFPLCCUHZXSLII-LBPRGKRZSA-N 316.140 3.562 0 40 DHAB CC[C@@H](C)C(=O)Nc1nnc(CCCOc2ccccc2)s1 9196792 KTZMSZADZXWYIV-GFCCVEGCSA-N 319.430 3.534 0 40 DHAB CC(=O)c1sc(N(C(=O)c2ccc(C)cc2)C2CC2)nc1C 12394370 YWANDSBHPPQIER-UHFFFAOYSA-N 314.410 3.772 0 40 DHAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccoc1 12648169 NPMFRMMQTQTBDU-UHFFFAOYSA-N 320.320 3.857 0 40 DHAB COc1ccc(-c2nc(C)c3c(C)c(C(=O)O)sc3n2)cc1 13693313 IOKCOJQMGNCSLP-UHFFFAOYSA-N 314.366 3.682 0 40 DHAB O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(F)cc1 18058640 SMDZYQJWXPSKRL-ZTFGCOKTSA-N 323.367 3.899 0 40 DHAB Cc1nn(C)cc1CN1C[C@@H](c2ccccc2)C2(CCCC2)C1 19583732 UQWQSJGPWLYRMU-IBGZPJMESA-N 309.457 3.888 0 40 DHAB C/C(=C\c1ccccc1)C(=O)Nc1cc(=O)oc2ccccc12 20763056 RFMCTOVKIPJYIV-ACCUITESSA-N 305.333 3.835 0 40 DHAB biogenic C[C@H](C1CC1)n1nccc1NC(=O)COc1ccc(Cl)cc1 21149206 HZPNEWHHGCDUPN-LLVKDONJSA-N 319.792 3.525 0 40 DHAB CCCCNc1nc(Nc2ccccc2C)c2cnn(C)c2n1 21873546 NJZVNFACKKIFFZ-UHFFFAOYSA-N 310.405 3.627 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccoc2C)cc1OC 23386160 QKHARHMQTLAFRO-HNNXBMFYSA-N 315.369 3.583 0 40 DHAB CCc1noc(C)c1C(=O)Nc1nnc(C(CC)CC)s1 24715749 PLPSCVRSPCUUNN-UHFFFAOYSA-N 308.407 3.553 0 40 DHAB CCCC[C@@H](C(=O)C(=O)Nc1ccc(C)cc1C)C(=O)C(C)C 25574785 VWDXFLXWWZRUOG-OAHLLOKOSA-N 317.429 3.843 0 40 DHAB CC[C@@H](C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccccc1 29017636 ALQIYPNHLVYUBN-CYBMUJFWSA-N 316.788 3.571 0 40 DHAB CCOc1ccc(CCC(=O)N2CCCCCC2)cc1OCC 30755062 FFVAHXXPRDEDRB-UHFFFAOYSA-N 319.445 3.819 0 40 DHAB Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)s1 31267935 PNGLTHFPLLPQIG-KRWDZBQOSA-N 315.438 3.642 0 40 DHAB CCCCCCNC(=O)c1cnn2c(-c3ccccc3)ccnc12 32922021 DDSUSAJNKUYJDP-UHFFFAOYSA-N 322.412 3.706 0 40 DHAB COc1cccc(COCc2ccc(C)cc2C)c1C(=O)O 35973489 GYQSCTIKRKDPFG-UHFFFAOYSA-N 300.354 3.727 0 40 DHAB Fc1cc(Cl)ccc1-c1nnc2sc(-c3ccco3)nn12 36365477 YKAITXVEYRESRS-UHFFFAOYSA-N 320.736 3.905 0 40 DHAB CCN(CC)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 38832599 IKOMWRADGXLXDP-UHFFFAOYSA-N 322.452 3.727 0 40 DHAB CCOCc1ccccc1CNC(=O)c1ccccc1Cl 40072071 YBTIMBJFEHIXFA-UHFFFAOYSA-N 303.789 3.807 0 40 DHAB CCOc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1 41156710 VNXPDARUGULIGJ-UHFFFAOYSA-N 313.397 3.511 0 40 DHAB O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1nccs1 48326490 ULCLQLKQHBQHHA-UHFFFAOYSA-N 319.283 3.623 0 40 DHAB O=C(CCCn1cccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 49470786 AZWMYIVASJPLGI-QGZVFWFLSA-N 322.412 3.508 0 40 DHAB CCCCCC[C@H](C)NC(=O)N[C@@H](C)Cc1ccc(O)cc1 58434801 NJAHOCLFUBJUBM-GJZGRUSLSA-N 306.450 3.981 0 40 DHAB Cc1cnc(-c2cccc(NS(=O)(=O)c3cccs3)c2)o1 66814737 AAQMWKLJUCHGRF-UHFFFAOYSA-N 320.395 3.512 0 40 DHAB O=C(NCc1cccnc1)N[C@@H](c1ccc(F)cc1)C1CCC1 71803845 JFPNIIKCFIKQJZ-QGZVFWFLSA-N 313.376 3.561 0 40 DHAB O=C(O)c1ccc(-c2ccccc2)cc1I 71864047 BIXNTXRUYTWXGV-UHFFFAOYSA-N 324.117 3.656 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N(C)C2CCCCC2)C1 72020083 UKLFMAOHHMSKAM-IYBDPMFKSA-N 323.525 3.717 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1ccc2ccn(C)c2c1 78806882 WSLHXDKFDGDKMC-UHFFFAOYSA-N 308.381 3.813 0 40 DHAB CC[C@@H](C(=O)NCC[C@@H](O)c1cc(C)oc1C)c1ccccc1 85561369 CSOGAEFFLOXZJO-SJLPKXTDSA-N 315.413 3.630 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccccc2F)C1 89212515 PGUYPXINVIJWMD-CYBMUJFWSA-N 308.397 3.885 0 40 DHAB COc1ccccc1[C@H](NC(=O)c1ccoc1C)c1ccccn1 89848730 IGUBOAOJNTUGMO-SFHVURJKSA-N 322.364 3.511 0 40 DHAB CCc1ccc(N2CCC(N[C@H]3CCCSC3)CC2)cc1 95423586 CSDIXCZCYSQGGY-KRWDZBQOSA-N 304.503 3.703 0 40 DHAB O=C(CCCCCNc1ncccn1)Nc1cccc2[nH]ccc12 95473155 AZLVOLYOZVYKJA-UHFFFAOYSA-N 323.400 3.569 0 40 DHAB CCOCCC1(C(=O)N[C@H](C)c2nc(C)cs2)CCCC1 96476095 RTQDHBNQAUDLAJ-CYBMUJFWSA-N 310.463 3.616 0 40 DHAB Cc1nc(C)c(CN[C@H](C)C[C@@H](O)c2ccc(F)cc2)s1 96486377 ZATPWJOVCLIQBD-MEBBXXQBSA-N 308.422 3.501 0 40 DHAB COC(=O)c1ccc(CNc2nc3ccccc3n2C2CC2)cc1 97143610 GWHIRNWODZFHPK-UHFFFAOYSA-N 321.380 3.770 0 40 DHAB O[C@@H](c1ccc(Cl)cc1)C1CCN(Cc2ccncc2)CC1 97600568 QVUXEUDCZAGHJD-SFHVURJKSA-N 316.832 3.681 0 40 DHAB CC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105365096 LANFJOBBEPUSIU-ACOUUOOQSA-N 315.413 3.551 0 40 DHAB biogenic CCc1nccn1Cc1csc(COc2ccc(F)cc2)n1 179183120 YJDZJJWKQFIQAT-UHFFFAOYSA-N 317.389 3.668 0 40 DHAB Cc1c(NC(=O)N[C@@H](C)c2cccc(O)c2)cccc1N(C)C 180181581 LGFFCFJOWBTOIN-ZDUSSCGKSA-N 313.401 3.649 0 40 DHAB CCC[C@H](C(=O)O)N1c2cc(OC)ccc2C(C)=CC1(C)C 223215852 FBQAMVVDGKJMQW-OAHLLOKOSA-N 303.402 3.950 0 40 DHAB CCOc1ccc(C(N)=O)cc1CSc1ccc(C)cc1 224658742 YUTAKVOUGJHTTM-UHFFFAOYSA-N 301.411 3.785 0 40 DHAB CC1(C)COc2ccc(C(=O)Nc3ccc(F)cc3)cc2OC1 225359445 ZVTPTAQGANWZAS-UHFFFAOYSA-N 315.344 3.875 0 40 DHAB CCCOC(=O)c1ccc(Nc2cc(C)ccc2OC)c(N)c1 225433914 QQAJKJYIJBYYBP-UHFFFAOYSA-N 314.385 3.896 0 40 DHAB C[C@H](COc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2 225634808 WTDOHSWKWNOGNE-OAHLLOKOSA-N 309.409 3.763 0 40 DHAB Cc1cccc(NC(=S)NC2(c3ccncc3)CCCC2)n1 225873071 RYOXNUCNFFVJQR-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB c1ccc(CN2CCCC[C@H]2c2nnc(-c3cccnc3)o2)cc1 257249042 JGKXOKQFDMENLO-KRWDZBQOSA-N 320.396 3.859 0 40 DHAB C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCc1cccc(O)c1 1528094637 LKMJDCXXTVKEFB-DGCLKSJQSA-N 315.335 3.514 0 40 DHAB O=C(NCC1(c2ccsc2)CC1)c1cc(-c2ccccc2)on1 1889205722 ZWRGAWQWLRFGEX-UHFFFAOYSA-N 324.405 3.865 0 40 DHAB Cc1cc(C)n(CC(=O)N(C2CCCCC2)C2CCCCC2)n1 411878 OKHBMUFRSRTBBW-UHFFFAOYSA-N 317.477 3.994 0 40 DHAB Cc1ccccc1C(=O)N1CCN=C1SCc1ccccc1 429394 FPAVLAQFPLWDIQ-UHFFFAOYSA-N 310.422 3.740 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2nc3ccccc3s2)c1 904133 UPADLSKELXJDOU-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB Nc1c(Cl)ncnc1NCc1ccc(Cl)c(Cl)c1 1667213 DSULIDZLAFYDCY-UHFFFAOYSA-N 303.580 3.631 0 40 DHAB O=C(c1cccc(CN2CCC2)c1)c1ccc(Cl)cc1F 2515138 KOBORHGWJRAWJO-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB COc1ccccc1CNC(=O)CSc1ccccc1Cl 3224715 MSQRNXIRUBAZAW-UHFFFAOYSA-N 321.829 3.757 0 40 DHAB O=C(OCc1c(F)cccc1Cl)c1ccc2c(c1)OCCO2 3312170 SHOQIXMPDFDAOW-UHFFFAOYSA-N 322.719 3.607 0 40 DHAB C[C@@H](C(=O)NCC1CCCCC1)N(C)Cc1ccc(Cl)cc1 3453921 PECMYVLJPLAFKN-AWEZNQCLSA-N 322.880 3.857 0 40 DHAB Cc1ccccc1CNC(=O)Cc1cccc(C(F)(F)F)c1 5089845 BJTRQKSXXOJADD-UHFFFAOYSA-N 307.315 3.873 0 40 DHAB COc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3)c(C)c2c1 5345887 NKTZTIDMJQLLJY-ZDUSSCGKSA-N 308.381 3.976 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1 5441269 IKMMIZOROJOBQE-UHFFFAOYSA-N 308.381 3.764 0 40 DHAB C[C@]1(O)c2ccccc2N[C@@]12C[C@@]1(C)Nc3ccccc3[C@@]1(C)O2 5486914 RTQHPAOPTVJQGO-IYWMVGAKSA-N 322.408 3.536 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccccc2C)c1 5700455 FZFPBTZMANQDDL-UHFFFAOYSA-N 300.383 3.591 0 40 DHAB COc1ccc(NC(=O)Cc2ccccc2Cl)c(OC)c1 6946583 DFIDAZZSNIETKL-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB CCOc1cc(C)c(S(=O)(=O)N[C@H](C)CC)cc1C(C)C 7616245 HPVXJKYNNZVMCK-CYBMUJFWSA-N 313.463 3.594 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1CCCCCC1 8731499 OFSYJGQMAUCIPH-UHFFFAOYSA-N 305.418 3.543 0 40 DHAB CC(=O)c1sc(NC(=O)[C@H]2C[C@H]2C)nc1-c1ccccc1 8852505 CFYRWCDKEXWUSO-SKDRFNHKSA-N 300.383 3.607 0 40 DHAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc2cc(Cl)ccc2o1 9059938 RLMSMGNOKLGMNY-UHFFFAOYSA-N 311.728 3.637 0 40 DHAB Cc1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)no1 9458062 AUUDLWUKCNMXCN-UHFFFAOYSA-N 302.277 3.847 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(OC)cc2)cc1 10977908 TWSOOFJELFTWMX-CQSZACIVSA-N 313.397 3.514 0 40 DHAB COC(=O)c1cc(NC(=O)C(C)(C)c2ccccc2)ccc1F 12785493 IFMZURGGKWZTOO-UHFFFAOYSA-N 315.344 3.529 0 40 DHAB Cn1ccc(Nc2nc(-c3ccsc3)nc3ccccc23)n1 12847460 APGBIWYACBGBST-UHFFFAOYSA-N 307.382 3.835 0 40 DHAB C[C@@H](NC(=O)Cc1ccccc1)c1ccc(OC(F)F)cc1 12852922 XKBVSEGJXHOLFY-GFCCVEGCSA-N 305.324 3.708 0 40 DHAB Cc1nc(NC(=O)c2ccc(-n3nccc3C)cc2)sc1C 14016395 AIVMKLNOYMETTG-UHFFFAOYSA-N 312.398 3.506 0 40 DHAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccnn1C1CCCC1 14184298 FZZDLAPPMVCHSW-UHFFFAOYSA-N 309.413 3.668 0 40 DHAB CCc1ccc2nc(NC(=O)c3c(CC)noc3C)sc2c1 19629152 GGDRFBUTQZYQRN-UHFFFAOYSA-N 315.398 3.970 0 40 DHAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 20485586 KTDFSMQQCDZXIO-CABCVRRESA-N 313.397 3.648 0 40 DHAB Cc1ccc(Sc2cc(=O)n3cc(Cl)ccc3n2)cc1 24990820 YTLCJYCGNMXVHR-UHFFFAOYSA-N 302.786 3.808 0 40 DHAB COCc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1 29352116 LZQDZYDHAIUBSJ-UHFFFAOYSA-N 313.382 3.537 0 40 DHAB CCCOc1ccc(S(=O)(=O)N[C@H](C)CC)c2ccccc12 32601860 BNNRJKROQIOAFR-CYBMUJFWSA-N 321.442 3.705 0 40 DHAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccccc3)cc2)n1 40107390 BOKZDKIWPKUCRH-UHFFFAOYSA-N 305.381 3.670 0 40 DHAB Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(C)s3)c2)n1 40554838 HUYGZGJJKVVSDA-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB COc1ccc(-c2nc(CC(=O)Nc3ccccc3)c(C)o2)cc1 41448874 WWNWAMHWBNLLOO-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB Cc1cc(OCC(=O)Nc2c(C)cc(N)cc2C)ccc1Cl 45890285 HLUDKNBYEKKLBJ-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Cn1cc(Nc2ncnc3sc(-c4ccccc4)cc23)cn1 52487399 BUDRTGVNICNWCT-UHFFFAOYSA-N 307.382 3.835 0 40 DHAB CCc1cc(Br)c(OC)c(C(=O)N(CC)CC)c1 57339328 SDLHODCKFJRGBC-UHFFFAOYSA-N 314.223 3.502 0 40 DHAB Cc1cccc(N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1C 57739311 HNIRRIHUYDXJCO-OAHLLOKOSA-N 314.404 3.902 0 40 DHAB CCc1c(C)sc2nc(COCc3ccccc3)[nH]c(=O)c12 57771526 PSJGARDDCGPMAX-UHFFFAOYSA-N 314.410 3.572 0 40 DHAB S=C(NCCCOC1CCCC1)Nc1cccc(Cl)c1 57815746 RNFNVMRPNXRZRO-UHFFFAOYSA-N 312.866 3.976 0 40 DHAB C[C@H]1CCN(C(=O)CN(C)c2ccccc2)[C@@H]2CCCC[C@H]12 59371425 ZZYOEGPAVVOFKS-CGTJXYLNSA-N 300.446 3.550 0 40 DHAB O=C(NCCc1ncc(-c2ccccc2)[nH]1)Nc1ccccc1F 64345539 AWDLNGKBWUHQKR-UHFFFAOYSA-N 324.359 3.580 0 40 DHAB CCn1c(C)cc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)c1C 68480694 SMXUBDBGWCHVPC-MRXNPFEDSA-N 316.376 3.518 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@H]1C[C@H]1c1cccc(F)c1 69751284 ACZJFHCHKAIFIY-GJZGRUSLSA-N 316.401 3.580 0 40 DHAB Cc1cccc(C[S@@](=O)Cc2noc(-c3ccsc3)n2)c1 69975807 QOXVVZKCXLTRBK-NRFANRHFSA-N 318.423 3.555 0 40 DHAB Cc1nc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)oc1C 71824766 PLPNVTRLHAAOFY-HNNXBMFYSA-N 306.793 3.518 0 40 DHAB O=C(C[C@@H]1CCCO1)NC(c1cccs1)c1cccs1 71915267 PHGSMBRHOUBATK-NSHDSACASA-N 307.440 3.584 0 40 DHAB CCOc1cc(NC(=O)N[C@H](C)c2c(C)noc2C)ccc1C 73189699 UJNYSWZIMSFVFQ-LLVKDONJSA-N 317.389 3.881 0 40 DHAB C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1nccs1 79032457 BAEJQSBATGCJBT-JTQLQIEISA-N 324.833 3.831 0 40 DHAB Cc1cc(-c2cccc(F)c2)nnc1NCc1c(C)noc1C 89600925 BSFISFFZCSMJKB-UHFFFAOYSA-N 312.348 3.808 0 40 DHAB C[C@@H](O)C1CCN(Cc2ccccc2OC2CCCC2)CC1 92969344 XQWWNFWUQYKERU-OAHLLOKOSA-N 303.446 3.601 0 40 DHAB O=C(c1cccc2cc[nH]c12)N(Cc1ccco1)C[C@H]1CCCO1 95429526 VMTWGMKGHMPDKT-MRXNPFEDSA-N 324.380 3.582 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccn(-c3ccccc3)n1)C2 102168487 DZNDGAAVTJRTLQ-NQYLQCIDSA-N 323.440 3.817 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCCCCC1)C2 104489016 XSERORFSPSIMSS-GNBUJSLZSA-N 323.521 3.845 0 40 DHAB O=C(C[C@@H]1CCCOC1)N1CCSc2ccc(Cl)cc21 193479061 ZDZRGBGHABNIMK-NSHDSACASA-N 311.834 3.595 0 40 DHAB CCCC[C@@](C)(OC)C(=O)Nc1cnc(OCCC)c(C)c1 225886063 LSQHFVXWBLRELA-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB CCCOc1ncc(NC(=O)[C@@](C)(CC)OCCC)cc1C 225903982 RBXXPVYIWZKTAB-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB Cc1cc(C)nc(Nc2cccc(C(=O)NCC(C)(C)C)c2)n1 225915002 ZWHVGSPMNBWSMB-UHFFFAOYSA-N 312.417 3.613 0 40 DHAB Cc1cccc2c(C[C@@H](C)NC(=O)[C@@H]3[C@H]4CCCC[C@H]43)c[nH]c12 248340252 UOFWCCIUSSTCHU-ZSGPHXLJSA-N 310.441 3.960 0 40 DHAB Cc1nc(CN2Cc3ncc(C)n3C[C@@H]2c2ccccc2)cs1 257309727 UCDPVCYUECQHDC-QGZVFWFLSA-N 324.453 3.714 0 40 DHAB Cc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408815151 POEBGYFIZILMGR-UHFFFAOYSA-N 313.377 3.897 0 40 DHAB CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 504441374 GAWKFSACFHWISS-KRWDZBQOSA-N 323.440 3.897 0 40 DHAB O=C(NCc1ccc(-c2cccs2)o1)c1cc(C2CC2)on1 575609326 SSVVMXWVOAEDFQ-UHFFFAOYSA-N 314.366 3.804 0 40 DHAB Oc1cc(CSc2ncnc3sc4c(c23)CCC4)ccn1 585119131 SNKIJUGXJVLWJE-UHFFFAOYSA-N 315.423 3.573 0 40 DHAB CCc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)s1 1776008362 FKHIVSPOBFEDPU-KBPBESRZSA-N 323.483 3.716 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 293788 SEAIGINNPGHXFT-UHFFFAOYSA-N 318.376 3.933 0 40 DHAB CCCc1cc2c(cc1NC(=O)c1ccccc1F)OCO2 381906 UBKLDOYUBNDZLB-UHFFFAOYSA-N 301.317 3.759 0 40 DHAB CCOc1ccc([C@H](NC(=O)CC)c2ccc(OC)cc2)cc1 509460 SWAPVXBLRUCLMN-LJQANCHMSA-N 313.397 3.710 0 40 DHAB COc1cc2ncnc(NCc3ccccc3C)c2cc1OC 1386817 XASLTWPYYVEOQC-UHFFFAOYSA-N 309.369 3.568 0 40 DHAB O=C(Nc1ccccc1)O[C@@H](CN1CCCCC1)C(F)(F)F 1392969 HNMYTUWOMJSUKU-ZDUSSCGKSA-N 316.323 3.652 0 40 DHAB O=C(C[C@@H](Nc1ccc(F)cc1)C(=O)O)c1ccc(Cl)cc1 2570986 PTTOAHLULPCTIH-CQSZACIVSA-N 321.735 3.617 0 40 DHAB S=C(NC[C@@H]1CCCO1)Nc1ccccc1-c1ccccc1 2776621 RHMPLLGMYUGASA-HNNXBMFYSA-N 312.438 3.819 0 40 DHAB O=c1nc2n(c3c(Cl)cc(Cl)cc13)Cc1ccccc1-2 3203897 MJZHYPUCMNGVPM-UHFFFAOYSA-N 303.148 3.732 0 40 DHAB Cc1ccc(C(=O)NCCC(C)C)cc1NC(=O)c1ccco1 3333937 AVKXZBDTOASJNL-UHFFFAOYSA-N 314.385 3.616 0 40 DHAB COc1ccccc1NC(=O)[C@H](C)Nc1cccc(SC)c1 3429233 OFNRQUPNKVSOGU-LBPRGKRZSA-N 316.426 3.856 0 40 DHAB O=C(COc1cccc(Cl)c1)N[C@H]1CCCc2ccccc21 3603935 LQFGYIWPBLVKNN-KRWDZBQOSA-N 315.800 3.913 0 40 DHAB O=C(Nc1ccc2nccnc2c1)c1csc2c1CCCC2 5345527 ONSIBVOPKUNNGC-UHFFFAOYSA-N 309.394 3.822 0 40 DHAB CC(=O)Nc1nc2ccc(NC(=O)c3cccs3)cc2s1 5726305 OSKNZJOJEISJIZ-UHFFFAOYSA-N 317.395 3.569 0 40 DHAB CC(C)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 5906068 RHTLBXMYBWDBOO-SNVBAGLBSA-N 322.474 3.593 0 40 DHAB CCN(C(=O)Cn1c(C)c(C=O)c2ccccc21)c1ccccc1 5947657 WGRWODZQPGQTOC-UHFFFAOYSA-N 320.392 3.815 0 40 DHAB CC(C)Oc1ccc(C(=O)OCC[C@H](C)N2CCCC2)cc1 5963106 XRTXIJUDIFZVJZ-HNNXBMFYSA-N 305.418 3.505 0 40 DHAB CCCSc1nsc(NC(=O)/C=C/c2cccs2)n1 6051651 MMUZQFPQHZNKCQ-AATRIKPKSA-N 311.457 3.754 0 40 DHAB Cc1ccc(CSC2=NCCN2C(=O)c2ccccc2)cc1 6476513 AERUGCAFUOPCAA-UHFFFAOYSA-N 310.422 3.740 0 40 DHAB O=C(OCc1cccc(C(F)(F)F)c1)c1n[nH]c2ccccc12 6506852 KLLZDGUZTSCCKQ-UHFFFAOYSA-N 320.270 3.939 0 40 DHAB Cc1cccnc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 7989742 MROLKGZFJXNGQF-UHFFFAOYSA-N 316.360 3.873 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C)ccc1OC 8041738 CTZIHTWZUTXTDW-OAHLLOKOSA-N 317.360 3.939 0 40 DHAB CN1C(=O)Cc2cc(-c3csc(-c4ccccc4)n3)ccc21 8270353 LRULXRSWTYFHFD-UHFFFAOYSA-N 306.390 3.996 0 40 DHAB Cc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1 8683975 KELRPWLCINPZTR-UHFFFAOYSA-N 301.349 3.689 0 40 DHAB O=C1CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc2N1 9827761 GYGXSQWCUCTJHY-UHFFFAOYSA-N 318.735 3.616 0 40 DHAB O=C(NCC1(c2ccccc2)CCC1)C1=Cc2ccccc2OC1 10221930 QIBQQAYHWPVUSO-UHFFFAOYSA-N 319.404 3.701 0 40 DHAB O=C1S[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 12289112 FYIKZZKVSJQQTI-CYBMUJFWSA-N 320.320 3.603 0 40 DHAB COc1ccccc1CNC(=O)c1cccc2c1O[C@H](C)[C@H]2C 12925613 NBAAOINLIHZLLM-CHWSQXEVSA-N 311.381 3.510 0 40 DHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CCCC1 12973681 QPOIXUAFSKSZOD-UHFFFAOYSA-N 318.804 3.986 0 40 DHAB Cc1ccc(SCCNC(=O)Cc2c[nH]c3ccccc23)cc1 14184214 VGUHQUQAGYSJLL-UHFFFAOYSA-N 324.449 3.927 0 40 DHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCCCC1 14728755 WKTMCKUXPXNIBE-UHFFFAOYSA-N 324.428 3.749 0 40 DHAB CC(C)(CNC(=O)c1ccc2ccccc2c1)N1CCCCC1 16695109 RNDRNWASCLVPKO-UHFFFAOYSA-N 310.441 3.834 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3cccc(OC)c3)no2)cc1 21524291 ZWVRNOVELRIXAW-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB CCc1cccc(N[C@H](c2cccc(C)c2)P(=O)(O)O)c1 24769781 XKCTUHVEGRJLCZ-INIZCTEOSA-N 305.314 3.846 0 40 DHAB CCN(CC)C(=O)Oc1cccc(Cl)c1Br 26896107 XHMXNFIQIDCOHN-UHFFFAOYSA-N 306.587 3.943 0 40 DHAB CCN(CC)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 27475050 VMVKTOAHSQPVTE-SFHVURJKSA-N 323.392 3.623 0 40 DHAB Cc1csc(NC(=O)c2csc(Cc3ccccc3)n2)n1 32914339 MVCXDFPCRTXDGZ-UHFFFAOYSA-N 315.423 3.751 0 40 DHAB O=C(Nc1ccccc1F)c1cc(-c2cccc(F)c2)no1 33146351 LDXUJRJPTHSAFP-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB COP(=O)(CCCCCCP(=O)(OC)OC)OC 38594924 GDLODMVMRRXGDC-UHFFFAOYSA-N 302.244 3.519 0 40 DHAB O=C1Nc2ccccc2CN1C1CCN(Cc2ccccc2)CC1 39381936 IIJKKEKDXSQIEH-UHFFFAOYSA-N 321.424 3.699 0 40 DHAB Cc1cc(N2CCN(Cc3ccsc3)CC2)nc2ccccc12 40004992 IRRXYXLZQWUGIT-UHFFFAOYSA-N 323.465 3.927 0 40 DHAB CC[C@@H]1c2ccsc2CCN1Cc1nnc(C(C)(C)C)o1 40086375 VIGYAPNSNSAVCR-GFCCVEGCSA-N 305.447 3.938 0 40 DHAB O=C(Nc1ccc(CCO)cc1)c1cc2cc(Cl)ccc2[nH]1 40975362 YNSNYERZCZJZER-UHFFFAOYSA-N 314.772 3.608 0 40 DHAB CCCNC(=S)Nc1c(C)cc(Br)cc1C 44195177 PJJBQXBLQUHQTP-UHFFFAOYSA-N 301.253 3.762 0 40 DHAB COc1ccccc1NC(=O)CSc1cccc2cccnc12 47080734 JCEYYGGELDXGRN-UHFFFAOYSA-N 324.405 3.974 0 40 DHAB O=C(Nc1cccc2c1CCCC2)N(C[C@H]1CCOC1)C1CC1 48237035 JPUBSMKDBFNUAF-CQSZACIVSA-N 314.429 3.598 0 40 DHAB Cc1ccc(Nc2ccc(NC(=O)/C=C/c3ccco3)cc2)nn1 49422534 JRUXZLGOEKXRKG-PKNBQFBNSA-N 320.352 3.774 0 40 DHAB CC[C@@H](C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 50078083 OGHRQAJEHLSVOT-KFWWJZLASA-N 319.449 3.562 0 40 DHAB C[C@@H](c1ccccc1F)N(C)C(=O)c1ccnc(NC2CC2)c1 65474533 DHBMOIGOBNLHKN-LBPRGKRZSA-N 313.376 3.628 0 40 DHAB O=C(CSCc1ccccc1F)Nc1ccc(F)cc1F 67743401 ZYIANSPNQZYWJH-UHFFFAOYSA-N 311.328 3.976 0 40 DHAB CCN(Cc1cccc(F)c1)Cc1nnc(-c2cccs2)o1 70009613 OCQGXNHVTJLWJC-UHFFFAOYSA-N 317.389 3.959 0 40 DHAB CCn1nc(C)c(NC(=O)c2cc(OC)c3ccoc3c2)c1C 71195339 JHYKFCJRWOYLQZ-UHFFFAOYSA-N 313.357 3.527 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 72214604 QSXLYMLOWRXWQI-CQSZACIVSA-N 305.422 3.610 0 40 DHAB Cc1cccc(-c2[nH]ncc2C(=O)NCCCc2ccccc2)c1 72329139 BPYYXJCHVREZHZ-UHFFFAOYSA-N 319.408 3.748 0 40 DHAB Cc1cccc2nc(-c3cc(N)cc(Br)c3O)oc12 73634581 HAAKWYUPIORRNR-UHFFFAOYSA-N 319.158 3.854 0 40 DHAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(Oc3ccccn3)c2)c1 76068340 DFNWBBZMHHVEFX-UHFFFAOYSA-N 321.336 3.657 0 40 DHAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1C[C@@H]1c1ccccc1 84525437 PGXJSSPASSVMOC-CABCVRRESA-N 321.405 3.947 0 40 DHAB CCn1nc(C)c(NC(=O)N(C)Cc2ccc(C)s2)c1C 89480566 ZDEXYTHMODMHOP-UHFFFAOYSA-N 306.435 3.554 0 40 DHAB CCO[C@@H](C)c1nc(CSc2ccc(Cl)nn2)cs1 95401572 ONVAUBIUXSFMPH-QMMMGPOBSA-N 315.851 3.976 0 40 DHAB CCc1ncc(CNc2cc(NC(=O)C3CC3)ccc2C)s1 95428525 ZZPVYDQZGCZVJX-UHFFFAOYSA-N 315.442 3.975 0 40 DHAB C[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccc(O)cc1Cl 95971283 VVXMIHUYOJACPI-NSHDSACASA-N 323.845 3.739 0 40 DHAB CC(C)(C)OC(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 108652482 PTNMAIZRBROEBW-UHFFFAOYSA-N 302.330 3.928 0 40 DHAB O=C(NCc1ccc(F)cc1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 109033622 AWKREVHINBXMGS-KWBADKCTSA-N 315.310 3.897 0 40 DHAB O=c1c(-c2ccccc2)c(O)[nH]c2cc(Br)ccc12 142931599 OZZFVIAFBAUVNJ-UHFFFAOYSA-N 316.154 3.663 0 40 DHAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1cccnc1 223909904 OLMFVCQTDLKRPM-UHFFFAOYSA-N 309.394 3.828 0 40 DHAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 224671871 JQOHVUOQAVGWRS-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB COc1cccc(O[C@@H](Cc2cccc(Cl)c2C)C(=O)O)c1 225071420 JCSKDTWXKRWRER-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)C)cc1C(=O)OC 225784856 ZSWQUTYILBLTFD-NSHDSACASA-N 307.390 3.635 0 40 DHAB Cc1cnc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)s1 227165901 GQTCLSSPWKXBAU-LBPRGKRZSA-N 312.398 3.515 0 40 DHAB O=C(COCc1ccccc1)c1cc(Br)cs1 307092138 ADUBKHOWJDYJGS-UHFFFAOYSA-N 311.200 3.910 0 40 DHAB CCC1CCC(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 408709254 QVTXRZSDZVHIPS-UHFFFAOYSA-N 316.445 3.834 0 40 DHAB O=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1 409149868 TVOHBMKWQPLQJR-HNNXBMFYSA-N 315.369 3.632 0 40 DHAB Cc1cccc(CS(=O)(=O)NC(C)(C)c2ccccc2C)c1 549910929 PHJANMVKMCLKET-UHFFFAOYSA-N 317.454 3.658 0 40 DHAB Cc1cccc2c1[C@H](C)C[C@H]2Cc1nc(-c2ncccn2)no1 582451748 YDXQPTBPICVILL-OLZOCXBDSA-N 306.369 3.669 0 40 DHAB O=C(N[C@H](Cc1ccccc1)c1ncco1)c1ccoc1C1CC1 585141256 SDPNTAQJANOTCT-MRXNPFEDSA-N 322.364 3.859 0 40 DHAB COc1cccc(C(=O)CCN2CC[C@@H](c3ccccc3)C2)c1 177639 VWHWKEXIFJIXIB-GOSISDBHSA-N 309.409 3.758 0 40 DHAB Cc1c(C)n(C[C@@H](O)CN[C@@H](C)c2ccccc2)c2ccccc12 811132 RJMNRFYYYWPFQK-LPHOPBHVSA-N 322.452 3.970 0 40 DHAB CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1 1640202 CEPYRVLKIDTJFB-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB Cc1cccc(C(=O)[C@](O)(c2ccccc2)[C@H]2CCCCC2=O)c1 1731608 LDNHSKULSWUSNY-RXVVDRJESA-N 322.404 3.825 0 40 DHAB O=C(O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3269312 RQJQIXQJZZVSEW-UHFFFAOYSA-N 314.341 3.613 0 40 DHAB Clc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1 3418537 SGEHVLXNVNBLRX-UHFFFAOYSA-N 320.183 3.581 0 40 DHAB O=C(CCc1nc2ccccc2s1)NCc1cccs1 3432435 IMYJUMYLYLBDFQ-UHFFFAOYSA-N 302.424 3.607 0 40 DHAB CN1CCC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 5029547 BSKUDKXKAISNDJ-MVBLQPKNSA-N 301.474 3.914 0 40 DHAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1OC 8084121 ZSMUXDNFMTXINY-INIZCTEOSA-N 311.381 3.511 0 40 DHAB O=C(Nc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8280126 QLHYMRYEFHQPOB-MRXNPFEDSA-N 324.380 3.827 0 40 DHAB CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 8519952 WSJMPHWACUJIGO-MRXNPFEDSA-N 307.390 3.645 0 40 DHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCc2ccccc2C1 10218396 WFIBPDRRZICOPF-UHFFFAOYSA-N 305.299 3.904 0 40 DHAB Cc1ccc(SCCCNC(=O)Nc2cc(C)on2)cc1 10220890 WOAHRXAEQFPMFB-UHFFFAOYSA-N 305.403 3.595 0 40 DHAB CSc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2 11724347 AQEDQOYTYZTBQF-UHFFFAOYSA-N 315.394 3.822 0 40 DHAB C[C@@H](Sc1ncc2ccccn12)C(=O)NC1CCCCCC1 12547279 VBSLGLOSBUNVKB-CYBMUJFWSA-N 317.458 3.654 0 40 DHAB Cc1ccn2cc(C(=O)N[C@@H]3CCSc4ccccc43)nc2c1 12556753 BAZFBLQCDZWLKO-CQSZACIVSA-N 323.421 3.610 0 40 DHAB Oc1cc(COc2ccccc2)nn1-c1nc2ccccc2s1 14607814 FULDCPTWOYVLKO-UHFFFAOYSA-N 323.377 3.767 0 40 DHAB COc1cccc(OC)c1OCc1cc(-c2ccco2)on1 14670919 ABNFQWBIZVZJHE-UHFFFAOYSA-N 301.298 3.531 0 40 DHAB COc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1F 14803988 ZBJOPENAHOEODS-UHFFFAOYSA-N 319.401 3.665 0 40 DHAB COc1ccccc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 15198928 BRQWGNPNHHAMNF-CQSZACIVSA-N 317.385 3.801 0 40 DHAB Cc1ccc(C)c(NC(=S)NCCc2ccc(O)cc2)c1 17025142 AERRXIKBYLDOBN-UHFFFAOYSA-N 300.427 3.538 0 40 DHAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 17270831 GVRKDKPXZCPGOL-UHFFFAOYSA-N 324.380 3.612 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)ccc1F 19476974 KKSOLFCPPPZFIY-RNCFNFMXSA-N 314.198 3.897 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 20041619 GPHMUSHGUIBJKG-AWEZNQCLSA-N 311.381 3.858 0 40 DHAB COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C)cc1 20680978 HWBNZLFQDQBPPU-UHFFFAOYSA-N 307.397 3.610 0 40 DHAB COc1ccc2ccccc2c1CNC[C@@H](O)c1ccccc1 22076115 NHKBCGFFWHWTST-LJQANCHMSA-N 307.393 3.672 0 40 DHAB O=C(NCc1csc(-c2ccccc2)n1)Nc1cccnc1 23055365 LBTWDBNYUCGECD-UHFFFAOYSA-N 310.382 3.527 0 40 DHAB CSc1ncccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 24833590 MQARUBSEKCRRSB-VHSXEESVSA-N 318.364 3.654 0 40 DHAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C1CC1 25595130 ZGBSKIQQCSIMQH-NSHDSACASA-N 318.804 3.842 0 40 DHAB Cn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21 27923853 NOFMBQDHIIQTMR-UHFFFAOYSA-N 300.749 3.871 0 40 DHAB in-vitro C[C@H](C(=O)N[C@@H](c1ccccc1)C1CC1)n1cnc2ccccc21 30603602 MYYIVYQPSASZMM-KUHUBIRLSA-N 319.408 3.865 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 34798107 ZOSHTBGCFMCDRD-VYDXJSESSA-N 301.430 3.899 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1 35311697 UHLGHQWLEBOISN-KRWDZBQOSA-N 323.396 3.630 0 40 DHAB CN(C)[C@H](CNC(=O)NC1CCCCC1)c1ccccc1Cl 36090873 WLJAKNKPDYRDAL-MRXNPFEDSA-N 323.868 3.575 0 40 DHAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(C)cc2C)C1=O 36635541 OFFIDIOTVMTEJP-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB CCN(CC)[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 40007699 LMFVHFTYVVTBIC-AEFFLSMTSA-N 300.446 3.542 0 40 DHAB O=C(c1cc(F)cc(Cl)c1)c1cccc(C2OCCO2)c1 43212579 HLDJREPVTXABAR-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(F)cc1 55693785 UEKZGMLVXJBHMZ-OAHLLOKOSA-N 315.388 3.650 0 40 DHAB CC[C@@H](c1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 58264780 BYOJSBDOYHGNOB-KRWDZBQOSA-N 307.397 3.506 0 40 DHAB O=C(c1ccc2c(c1)CCO2)N(Cc1ccco1)C1CCCC1 58380433 CKNZWUAGTPYFET-UHFFFAOYSA-N 311.381 3.800 0 40 DHAB CCN(CC)[C@H](CNc1cc(Cl)nc(C)n1)c1ccccc1 60340061 ZWWUWACBHWGETC-OAHLLOKOSA-N 318.852 3.933 0 40 DHAB O=C(c1cnccn1)N(Cc1ccco1)c1ccc(Cl)cc1 69778090 FXELOSSMGQIXPV-UHFFFAOYSA-N 313.744 3.570 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2cccc(F)c2)s1 71883179 YNMFMYPZWNREGB-NSHDSACASA-N 306.406 3.661 0 40 DHAB CC(C)N1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214378 HCOGKJUYLVXCNG-AWEZNQCLSA-N 305.422 3.974 0 40 DHAB Cc1nc2ccc(NC(=O)NOCc3ccccc3)cc2s1 79090181 JRAGXMXVCZMUMI-UHFFFAOYSA-N 313.382 3.858 0 40 DHAB O=C([C@H]1CC=CCC1)N1CCC(CSc2ccccn2)CC1 85557627 GSBLGIGUFGJVQF-INIZCTEOSA-N 316.470 3.769 0 40 DHAB Cn1c(C2CC2)nc2cc(NC(=O)CCC(F)(F)F)ccc21 89870483 HQGYSZCWIHFXIJ-UHFFFAOYSA-N 311.307 3.732 0 40 DHAB OC[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 90728272 YAFYNSAZZKZZSR-FKHAVUOCSA-N 315.416 3.655 0 40 DHAB C[C@H]1CCN(C(=O)c2ncoc2-c2ccco2)CC12CCC2 95458068 YHOFVPSBBRXNCN-LBPRGKRZSA-N 300.358 3.587 0 40 DHAB CC(C)(C)[C@@H](CCO)NCc1ccc(SC(F)F)cc1 95940569 GTIJEWBDIFSRSJ-CYBMUJFWSA-N 303.418 3.888 0 40 DHAB O=C(c1cc(F)cc(C(F)(F)F)c1)N1C[C@@H]2CC=CC[C@H]2C1 95964765 SMZOPXDVWCTXHV-QWRGUYRKSA-N 313.294 3.883 0 40 DHAB c1ccc(N[C@H]2CCCN(c3cc(OCC4CC4)ccn3)C2)cc1 96006396 KIISDFLMTOUXHE-SFHVURJKSA-N 323.440 3.951 0 40 DHAB CSc1ccc([C@@H](O)CNC(=O)c2ccccc2Cl)cc1 96103051 PXGCQICVJIOFMH-HNNXBMFYSA-N 321.829 3.525 0 40 DHAB O=c1[nH]c2ccc(Br)cc2cc1Cc1ccccc1 96319454 NYAOVIBBTKTYMI-UHFFFAOYSA-N 314.182 3.881 0 40 DHAB C[C@H](Cc1ccsc1)NCCc1nc(C(F)(F)F)cs1 96478846 OOVQIFIQHMMVOT-SECBINFHSA-N 320.405 3.987 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C)c1 96659216 TVBPECLJYSOERG-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CCn1/c(=N/C(=O)c2ccccc2F)sc2cccc(F)c21 100909425 QTSOICQYFLIATA-MNDPQUGUSA-N 318.348 3.742 0 40 DHAB CC(C)c1nccn1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 182818003 HGPOKIRMBDMLNB-LBPRGKRZSA-N 321.371 3.504 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)NCc1cccc2ccccc12 222876971 ZBHYMEQARDMEOW-HNNXBMFYSA-N 305.377 3.924 0 40 DHAB Cc1cc(N)cc(Br)c1NC(=O)Cc1ccccc1 226755879 QQPXYIRZWIAYDN-UHFFFAOYSA-N 319.202 3.521 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4ccncn4)C3)ccc2o1 257340627 ZGYKFVKHIJNAAL-OAHLLOKOSA-N 321.380 3.551 0 40 DHAB Cc1c(F)cccc1C(=O)Nc1nc(C2CCOCC2)cs1 564813297 YRXICOMBVIGEDD-UHFFFAOYSA-N 320.389 3.737 0 40 DHAB C[C@@H](C1CC1)N(C(=O)c1nc(Cl)sc1Cl)C1CC1 585091021 MMPHYFMSRHFLLN-LURJTMIESA-N 305.230 3.853 0 40 DHAB CC[C@@H](C)N1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 585100197 HLMHPFIYXBXSAN-YLJYHZDGSA-N 314.473 3.832 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN(C)[C@H](c2ccccc2)c2nc[nH]n2)o1 585116681 FPBBWRVUJVZQFD-MZMPZRCHSA-N 322.412 3.743 0 40 DHAB Cc1nn(-c2ccccc2)cc1N[C@H](C)c1nc(C(C)C)no1 585138054 LIXCCQWORKMAMM-CYBMUJFWSA-N 311.389 3.860 0 40 DHAB O=S(=O)(c1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775970624 HACKYVPDIOVEQC-HOTGVXAUSA-N 321.417 3.622 0 40 DHAB Cc1c(Cl)ccc2sc(N3CCC4(CC3)OCCO4)nc12 1888944369 HZYVGSQAVFHCBQ-UHFFFAOYSA-N 324.833 3.601 0 40 DHAB CCCn1cnc2scc(-c3ccc(OCC)cc3)c2c1=O 148877 IBPYYVCBFVBULN-UHFFFAOYSA-N 314.410 3.934 0 40 DHAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 214015 VOAUSLOMHKDQEL-UHFFFAOYSA-N 321.405 3.979 0 40 DHAB COc1ccc(CNC(=O)c2cc3c(F)cccc3s2)cc1 1390444 BQPNDOUSADCGMQ-UHFFFAOYSA-N 315.369 3.979 0 40 DHAB CCOC(=O)c1ccc(CSc2ccccc2C(=O)O)cc1 1624339 ZEGMHMKRUZZFSH-UHFFFAOYSA-N 316.378 3.854 0 40 DHAB Cc1cccc(-c2nc(NCCCN(C)C)c3ccccc3n2)c1 1775570 UJJPRJBCIZJAAX-UHFFFAOYSA-N 320.440 3.969 0 40 DHAB Cc1ccccc1N1COc2ccc3c(C)cc(=O)oc3c2C1 2113693 VVUOGHOTUSKYGM-UHFFFAOYSA-N 307.349 3.766 0 40 DHAB biogenic CCCCOc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1C 2147232 CKWSWUQRTABELI-UHFFFAOYSA-N 318.369 3.606 0 40 DHAB biogenic CCN(C(=O)CSc1ncnc2ccccc12)c1ccccc1 3246370 VNHWDSYUGZJJJZ-UHFFFAOYSA-N 323.421 3.775 0 40 DHAB Cc1sc2ncnc(NCc3nc4ccccc4[nH]3)c2c1C 3438732 MLDVZABZVJPADR-UHFFFAOYSA-N 309.398 3.797 0 40 DHAB COc1ccccc1/C=C/C(=O)N[C@@H]1CCCc2ccccc21 3608559 DEDLYOPFEIOIRR-KAUXGEHWSA-N 307.393 3.902 0 40 DHAB C[C@H]1CCCCN1C[C@H](O)COc1ccc(C(C)(C)C)cc1 3893511 BCFVDPZYAPIOHZ-RDJZCZTQSA-N 305.462 3.598 0 40 DHAB CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc(F)c1 4292068 JNQNVWRPMLUPAF-QGZVFWFLSA-N 300.308 3.662 0 40 DHAB CCCCN(C)C(=O)c1csc(Nc2ccc(OC)cc2)n1 4675123 OEYOASSRBSWPOK-UHFFFAOYSA-N 319.430 3.767 0 40 DHAB CC1CCC2(CC1)N=C(c1ccc(Cl)c(Cl)c1)C(=O)N2 4891145 MCVPJZAXPXGCBS-UHFFFAOYSA-N 311.212 3.819 0 40 DHAB Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(O)c3)S2)cc1 5588534 JZKYVIUFAKCNJH-GDNBJRDFSA-N 310.378 3.783 0 40 DHAB CN(C)[C@@H](CNc1ccc(C(F)(F)F)cn1)c1ccccc1 6784779 NVJHCEJHMDWFNV-AWEZNQCLSA-N 309.335 3.815 0 40 DHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 6852971 CQOSJBKEMYGNBZ-IAQYHMDHSA-N 304.777 3.584 0 40 DHAB COc1ccc(CSc2nnc(NC3CC3)s2)cc1F 7577569 CRNHRLNTNCSERD-UHFFFAOYSA-N 311.407 3.552 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1 7657863 FNWLAXKCAZTUSP-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCCCCC1 9378171 ZQFXAXGHAJGCKV-UHFFFAOYSA-N 323.849 3.711 0 40 DHAB CCNc1nn(-c2ccc(F)cc2)c2c1C(=O)CC(C)(C)C2 10156830 CZDBWUVJULELAQ-UHFFFAOYSA-N 301.365 3.598 0 40 DHAB O=C(Cc1cnc(-c2ccccc2F)s1)Nc1cccnc1 12324423 LKSIMJSEDUVFDR-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB Cc1c(C)n(C[C@@H](O)CNC(C)(C)C)c2c(Cl)cccc12 12421916 RVYFDHOEULQXRL-ZDUSSCGKSA-N 308.853 3.661 0 40 DHAB CSc1ncccc1C(=O)Nc1ccccc1N1CCCC1 12633241 FMKZHMKBSXQKOW-UHFFFAOYSA-N 313.426 3.656 0 40 DHAB CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C 19501530 OEBRELAMVBWQDZ-QWFCFKBJSA-N 314.473 3.656 0 40 DHAB O=C(Cc1ccc(F)cc1)NCCSc1ccc(Cl)cc1 20014174 YFJTZZZVXYIWAF-UHFFFAOYSA-N 323.820 3.930 0 40 DHAB O=C(NC1CCCCC1)c1cccnc1NCCc1ccccc1 22052409 WAVCIZNODBYQBY-UHFFFAOYSA-N 323.440 3.799 0 40 DHAB COc1ccc(CN(C)C(=O)c2cc(C)ccc2C)cc1OC 23493576 PDZGJAJHCKOOLZ-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB Cc1ccc(C)c(OCCOC(=O)Cc2c[nH]c3ccccc23)c1 25048490 VUSXYXIYMYOMFC-UHFFFAOYSA-N 323.392 3.949 0 40 DHAB Cc1ccc(CN(C)C(=O)c2cnc3ccccc3n2)c(C)c1 25774226 DWNYPJIKHRTAMU-UHFFFAOYSA-N 305.381 3.519 0 40 DHAB COc1cc(NC(=O)c2cc3ccccc3cc2O)cc(OC)c1 26531890 JEDKTEQHZLQIMT-UHFFFAOYSA-N 323.348 3.815 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(C(C)=O)s1 27066215 SVSOQGFGQNEVKJ-UHFFFAOYSA-N 315.394 3.552 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F 29470121 QRXZSODADYQLED-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB Cc1ccnc(NC(=O)CCC(=O)c2ccc(Cl)s2)c1 32721859 KGKGNMODYWXFFH-UHFFFAOYSA-N 308.790 3.707 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H](C)c1ccccc1 32905782 AUZDJTMLVNGUBY-ZDUSSCGKSA-N 320.392 3.579 0 40 DHAB CC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCC2)=N1 39175404 MUPPKWUWZUIUGE-CHWSQXEVSA-N 306.450 3.844 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 40135198 RTBWVWHQKHKTTF-CHWSQXEVSA-N 303.450 3.634 0 40 DHAB Cc1cccc(N[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 40161217 SVQPHXNIAVOCIS-IRXDYDNUSA-N 310.441 3.933 0 40 DHAB CN(Cc1c(F)cccc1Cl)C[C@@H](O)c1cccc(F)c1 51119480 LKFQBRNOWACZHR-MRXNPFEDSA-N 311.759 3.784 0 40 DHAB O=S(=O)(Nc1ccc2sccc2c1)c1cccc(F)c1 54189374 JANRDQGBPJJCHK-UHFFFAOYSA-N 307.371 3.841 0 40 DHAB O=C(Nc1nc2ccccc2s1)C1=NO[C@@H](c2ccccc2)C1 54272765 UNPTWBNNHIZLJY-CQSZACIVSA-N 323.377 3.752 0 40 DHAB CCCOCc1nc2cc(-c3ccccc3)sc2c(=O)[nH]1 58174788 ZSRMRGIBZBSSPO-UHFFFAOYSA-N 300.383 3.578 0 40 DHAB CC(=O)Nc1ccc(Cl)cc1NCCOc1ccc(F)cc1 58469710 FYZRAXSHJKZZMF-UHFFFAOYSA-N 322.767 3.928 0 40 DHAB Cc1ccccc1NC1CCN(C(=O)CC2CCCC2)CC1 65611750 NWYSPTSADSIQCP-UHFFFAOYSA-N 300.446 3.978 0 40 DHAB Cc1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)c(N)c1 70462925 GPRCJLLEQKWFPB-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB O=C(C[C@@H](NC(=O)C(F)(F)F)c1ccccc1)c1ccccc1 72233724 AIHNUOAMIMLKCW-CQSZACIVSA-N 321.298 3.679 0 40 DHAB COc1ccsc1C(=O)N(CCC(F)(F)F)C1CCC1 79055293 NIRUBSKQZDWVEC-UHFFFAOYSA-N 307.337 3.704 0 40 DHAB O=C(CCc1ccc2c(c1)CCO2)Nc1ccc2[nH]ccc2c1 79189931 CPSHGIZEAXFATK-UHFFFAOYSA-N 306.365 3.674 0 40 DHAB biogenic CC(C)n1ccc2cc(C(=O)NCCc3ccccn3)ccc21 79482812 GJVIJJFDNDTDQA-UHFFFAOYSA-N 307.397 3.590 0 40 DHAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)C1CCCC1 79491961 CLQJXIKSBPSBBW-UHFFFAOYSA-N 323.352 3.952 0 40 DHAB CC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1c(C)noc1C 90887427 FZUXCABVHGZIBJ-YGRLFVJLSA-N 302.374 3.822 0 40 DHAB Cc1noc(C)c1[C@H](C)CNC(=O)Nc1cccc2cccnc12 95434358 VGKVMYUQEQPHAT-LLVKDONJSA-N 324.384 3.765 0 40 DHAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(C(C)C)C1CC1 95944975 WUNVQZABYCPPNZ-GFCCVEGCSA-N 306.454 3.590 0 40 DHAB C[C@@H](C(=O)Nc1cccnc1-c1ccccc1)C1CCOCC1 95975151 WLUGHJHYOQBRBP-CQSZACIVSA-N 310.397 3.750 0 40 DHAB CSC1(CNC(=O)Nc2ccccc2C(C)C)CCOCC1 96433685 XIFOCBRISHSJLF-UHFFFAOYSA-N 322.474 3.844 0 40 DHAB Cc1ncn(Cc2nnc(-c3cc4c(s3)CCCC4)o2)c1C 97378164 WZAASYNGAHNVFX-UHFFFAOYSA-N 314.414 3.539 0 40 DHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113950410 MZOINQQNPFQCNL-AHCXZYCDSA-N 301.430 3.766 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1 219480502 JFWMABNPFDAPFJ-HNNXBMFYSA-N 315.438 3.504 0 40 DHAB Cc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c1 222610896 XMFRALYZMWUKSX-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251240405 SSVZZSXNBFNIRC-NXOAAHMSSA-N 301.430 3.766 0 40 DHAB CCCn1nccc1-c1cccc(C[C@@H]2CCN(C(C)C)C2)n1 257337142 YROODDGMWSXDGT-INIZCTEOSA-N 312.461 3.628 0 40 DHAB C[C@H]1C[C@H]1c1noc(-c2c[nH]nc2-c2cccc(Cl)c2)n1 571297011 FUFBQEHASAZLEA-GZMMTYOYSA-N 300.749 3.904 0 40 DHAB COc1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 1657596287 IPSOCKBUTMATEI-INIZCTEOSA-N 321.424 3.951 0 40 DHAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1 188404 OJMANMVCSXEGQL-UHFFFAOYSA-N 315.394 3.886 0 40 DHAB COc1ccc(C2=C(C)C[C@H](c3ccccc3)NC2=O)cc1OC 503645 MTWREUXOFYVNPI-MRXNPFEDSA-N 323.392 3.739 0 40 DHAB Fc1ccc(-c2nc3ccccn3c2NC[C@H]2CCCO2)cc1 904076 ZFDPJAHSVGWTNB-OAHLLOKOSA-N 311.360 3.731 0 40 DHAB CCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21 1256652 GVXLGJBOVUBGCX-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB Cc1ccc(OCCCCn2c(CO)nc3ccccc32)cc1 1926897 YAMXQQZWIHDQES-UHFFFAOYSA-N 310.397 3.696 0 40 DHAB O=C1S/C(=C\c2cccc(F)c2)C(=O)N1c1ccc(O)cc1 2384619 JVEKWIDAJRZRMY-ZROIWOOFSA-N 315.325 3.772 0 40 DHAB O=C1CCCC[C@@H]1Sc1ncnc2sc3c(c12)CCC3 3290811 PMAYBHKGEARHLI-LBPRGKRZSA-N 304.440 3.784 0 40 DHAB CCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O)cc1 3338730 XKRFGOOKLGMVJN-UHFFFAOYSA-N 306.365 3.859 0 40 DHAB CCOc1ccccc1NC(=O)[C@@H](NC(C)C)c1ccccc1 3414796 LVGGMEWBHPEMRF-SFHVURJKSA-N 312.413 3.763 0 40 DHAB O=C(N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 4083212 RVBAHCHQNBUSFJ-UHFFFAOYSA-N 324.468 3.552 0 40 DHAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 4673019 WLSGLEBFNSMNPH-JXMROGBWSA-N 314.772 3.950 0 40 DHAB O=C1NC(c2ccccc2Cl)=N/C1=C\c1ccc(Cl)cc1 5399000 DENOOJVFBRUYGS-ZROIWOOFSA-N 317.175 3.911 0 40 DHAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1 6928556 OBRPXHNAQDMRAJ-INIZCTEOSA-N 321.829 3.696 0 40 DHAB CCOc1ccccc1NC(=O)CCC(=O)c1cccs1 6933725 AEKMFWLCMAAGRN-UHFFFAOYSA-N 303.383 3.748 0 40 DHAB COc1ccc2oc(C(=O)N[C@@H](C)c3ccccn3)c(C)c2c1 7990846 QQBJIIHSXUVQST-LBPRGKRZSA-N 310.353 3.636 0 40 DHAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccn1 8132124 ZQOVZAXUKZGXKH-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB CC[C@H]1CCCCN1CCCOc1ccc(C=O)cc1OC 8731538 PKHPFDVZODZGIE-INIZCTEOSA-N 305.418 3.541 0 40 DHAB CNc1nnc(SCc2cccc(Br)c2)s1 8849729 MGCJLCXLNHSSJP-UHFFFAOYSA-N 316.249 3.635 0 40 DHAB Cc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1 9087653 OQNKHPODKFJSCC-HNNXBMFYSA-N 303.365 3.859 0 40 DHAB Cc1ccc(CN2C(=O)S/C(=C/c3ccccn3)C2=O)cc1 9233883 NFRXGZSBYQBUKD-XNTDXEJSSA-N 310.378 3.627 0 40 DHAB CC(C)c1nc2sc3c(=O)n(C)cnc3c2c2c1CCCC2 9423884 XGEBRVCNNNYNAC-UHFFFAOYSA-N 313.426 3.545 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)c1cccc(Cl)c1Cl 10798284 KUSBIWACKLVAQC-QGOAFFKASA-N 309.196 3.793 0 40 DHAB COC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 10953840 WFJHTBYOIPEFAG-UHFFFAOYSA-N 313.357 3.676 0 40 DHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1 12644781 WAHODBACOHGUNL-INIZCTEOSA-N 316.788 3.553 0 40 DHAB Cc1nc(-c2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc2)co1 13012284 LZUDYCJLTHILMT-GOSISDBHSA-N 320.348 3.592 0 40 DHAB CN(CC(=O)Nc1ccccc1)Cc1c(F)cccc1Cl 13038715 SFSCFAMZNYIDHM-UHFFFAOYSA-N 306.768 3.550 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(C)CC1 14125989 WOXSZOSNUROFBM-UHFFFAOYSA-N 300.427 3.991 0 40 DHAB COc1ccccc1NC(=O)N(C1=NCCC1)c1ccccc1 16689856 WFTQMKBYBLBAOS-UHFFFAOYSA-N 309.369 3.926 0 40 DHAB Cc1nc(NC(=O)c2ccoc2)sc1-c1nccn1C(F)F 24969114 CPIMVQRWMZBSRG-UHFFFAOYSA-N 324.312 3.555 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 27242399 ZERABFMWHSCHPQ-UHFFFAOYSA-N 310.397 3.694 0 40 DHAB CCOC(=O)c1c(NC(=O)N(C)[C@H](C)C2CC2)sc(C)c1C 31087800 LEENUCUEKVHFGW-SNVBAGLBSA-N 324.446 3.804 0 40 DHAB O=C(/C=C/c1ccco1)Nc1cccc(Oc2ncccn2)c1 32027838 LDSWTXBYXXNCSY-BQYQJAHWSA-N 307.309 3.514 0 40 DHAB O=C(c1ccc(-n2ccnc2)cc1)N(Cc1cccs1)C1CC1 40088939 IBWZYECGZVUNDC-UHFFFAOYSA-N 323.421 3.739 0 40 DHAB Cc1ccc(C)n1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C 40146579 YKYNZTSYHFZTMW-SFHVURJKSA-N 302.393 3.758 0 40 DHAB CCOC(=O)c1csc2nc(-c3ccccc3Cl)cn12 40440691 KRCOTNVFTOXXCD-UHFFFAOYSA-N 306.774 3.893 0 40 DHAB CCOc1ccc(S(=O)(=O)N(CC)c2ccccc2C)cc1 47214262 KOQMQVHOXWMQHN-UHFFFAOYSA-N 319.426 3.609 0 40 DHAB Clc1snnc1CN1CCC[C@H]1CCc1ccccc1 48249131 OTPGYELRTLUJLZ-ZDUSSCGKSA-N 307.850 3.789 0 40 DHAB CCn1ccnc1CN[C@@H](C)c1ccccc1Br 51921803 XQXAQBCJPWOUSF-NSHDSACASA-N 308.223 3.516 0 40 DHAB CCc1nc(COc2ccc(Cl)c3c2C(=O)C[C@H]3C)no1 52892296 MWDFGVYDOCKRHV-MRVPVSSYSA-N 306.749 3.554 0 40 DHAB Cc1nn(C)c2sc(C(=O)Nc3cccc(Cl)c3)cc12 54452360 RJJQCVFTIGFKLA-UHFFFAOYSA-N 305.790 3.849 0 40 DHAB Oc1nc(-c2ncccn2)nc2cc(-c3ccccc3)sc12 54753783 GXAFQNBBILBGEF-UHFFFAOYSA-N 306.350 3.521 0 40 DHAB O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccoc1 56274579 UWUPRBWHXHAISU-ZDUSSCGKSA-N 321.760 3.743 0 40 DHAB CC(C)Oc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 58009469 SDNQFCBEUIDCCP-OAHLLOKOSA-N 311.381 3.664 0 40 DHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C2CC2)on1 58327400 CUHNEGJKHVWYIJ-UHFFFAOYSA-N 324.302 3.843 0 40 DHAB O=S(=O)(c1ccccc1-c1ccccc1)N1CCCCCC1 58355589 CUYWGHDYAOZTMM-UHFFFAOYSA-N 315.438 3.918 0 40 DHAB Cc1ccsc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 65002315 ZXPYIKZOLNZQIF-UHFFFAOYSA-N 302.424 3.900 0 40 DHAB C[C@H](NC(=O)c1snc(-c2ccccc2)c1N)c1ccccc1 67334747 FTNHWJRPEBTUTK-LBPRGKRZSA-N 323.421 3.883 0 40 DHAB Cc1cccc2cc(C(=O)N3CCC[C@H](n4ccnc4C)C3)oc12 69810180 RBBQPGZIOSMMLK-INIZCTEOSA-N 323.396 3.723 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccc3ncccc3c2)cc1 71121715 TXYSRPPWERZLFI-ZDUSSCGKSA-N 306.365 3.734 0 40 DHAB CC[C@@H](NC(=O)N[C@@H](C)Cc1ccsc1)c1nc(C)cs1 71856654 BXGRULKQFIGNLN-GXFFZTMASA-N 323.487 3.895 0 40 DHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(NC2CC2)nc1 72213785 AFPINRBAQLRAMF-QGZVFWFLSA-N 307.397 3.633 0 40 DHAB COc1c(Cl)cccc1NC(=O)N[C@H](C)c1c(C)noc1C 73185909 CIFPTSVXUUEMQS-MRVPVSSYSA-N 323.780 3.836 0 40 DHAB O=C(NCc1ccc(F)cc1)N1CCC(c2cccs2)CC1 75157082 GTASKHTXWIYMOY-UHFFFAOYSA-N 318.417 3.976 0 40 DHAB Cc1ncc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)s1 78182261 JDYYOXWRIYUKAL-TZMCWYRMSA-N 300.427 3.778 0 40 DHAB Cc1cccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)n1 78934300 LOUVMELRCMHWRJ-OAHLLOKOSA-N 312.438 3.644 0 40 DHAB O=C(CCc1ccco1)N1CC[C@@H](CSc2ccccc2)C1 81287488 PGANBAWZLKISAG-OAHLLOKOSA-N 315.438 3.853 0 40 DHAB Cc1cc([C@H](C)NC(=O)c2cnn(Cc3ccccc3)c2)c(C)o1 84081664 NIDWMTXZOGDOSJ-AWEZNQCLSA-N 323.396 3.632 0 40 DHAB Cc1nc(CCN[C@H](CCc2ccccc2)C(F)F)cs1 95466847 ZXLIRYPXLUQXHQ-OAHLLOKOSA-N 310.413 3.850 0 40 DHAB Cc1nc(C)c(-c2nn3c(-c4ccccc4)nnc3s2)s1 95480810 VJPUMVSOOWDCRU-UHFFFAOYSA-N 313.411 3.593 0 40 DHAB CCCC(=O)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1 96075313 HRFGEFXKHNCNSV-UHFFFAOYSA-N 318.436 3.583 0 40 DHAB COc1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1F 96120612 VTXKQNZGKBRGFJ-UHFFFAOYSA-N 319.401 3.916 0 40 DHAB CCOc1c(Cl)cc(C(=O)Nc2cccc(O)c2)cc1OC 98066549 SFAJFSPJSUGZTQ-UHFFFAOYSA-N 321.760 3.705 0 40 DHAB COc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2Cc2cccnc2)cc1 100113426 AWCDBPOHAKXSBK-ZWOKBUDYSA-N 324.424 3.522 0 40 DHAB CCc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1OC 113970994 SUZGBGMMZLIANK-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB O=Cc1cc(F)c(Oc2ccnc(C(F)(F)F)c2)c(F)c1 218282229 RVAVWRRHYAUVKU-UHFFFAOYSA-N 303.186 3.983 0 40 DHAB Cc1cccc(OCC(=O)NCCSC2CCCCC2)c1C 222816515 QHTPZCQEXAZBAK-UHFFFAOYSA-N 321.486 3.864 0 40 DHAB COc1ccccc1O[C@@H](Cc1ccc(Cl)cc1C)C(=O)O 225074750 KKMWCBVGNHDSJB-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CCOc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)cc1 225106687 YLNSTJQXJOHUAV-MRXNPFEDSA-N 320.772 3.813 0 40 DHAB COc1cc(CNC(=O)NC2CCCCC2)ccc1OC(C)C 225756308 UHNGHFCCCUWKDM-UHFFFAOYSA-N 320.433 3.614 0 40 DHAB COCCC1(NC(=S)Nc2ccc(C)cc2C)CCCC1 225841822 SKPKRUJXDPTPTD-UHFFFAOYSA-N 306.475 3.939 0 40 DHAB CN(C[C@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)C1CCCCC1 253478947 NYKSCGZFZQRKJK-BOLBYERCSA-N 323.521 3.843 0 40 DHAB CC(=O)N1CCCCC[C@@H]2N(C)[C@H](c3ccccc3)C[C@@]21C 257274277 NKHPCNWRNRFISU-FHWLQOOXSA-N 300.446 3.613 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260801494 ZPPLFXSFRMOTFZ-BDFQZXNOSA-N 313.441 3.638 0 40 DHAB CC(=O)c1c(F)cccc1N1CCC[C@H](CC(=O)OC(C)C)C1 274246057 VXGVEURPFFSXTJ-CQSZACIVSA-N 321.392 3.586 0 40 DHAB O=C(NCCCc1cc2ccccc2o1)c1cc(C2CC2)on1 390830982 OTCKXRRTBWQFKF-UHFFFAOYSA-N 310.353 3.661 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2cccc(OC(C)C)c2)c1 408563851 RYHIYSYUPUFAGJ-UHFFFAOYSA-N 315.369 3.743 0 40 DHAB O=C(Sc1nnc(-c2ccncc2)o1)c1ccccc1Cl 408599653 YEJJLRNIBGWSEL-UHFFFAOYSA-N 317.757 3.718 0 40 DHAB Cc1conc1C(=O)N(Cc1cccs1)Cc1cccs1 1522978217 IRUGFUWVLKTSSF-UHFFFAOYSA-N 318.423 3.949 0 40 DHAB COc1cccc(CN2CCC3(CC2)C[C@H](C(C)C)CO3)c1 2055835575 JUROXCKMCSQNRE-KRWDZBQOSA-N 303.446 3.722 0 40 DHAB C[C@H](c1ccccc1)[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)O 32289 UAJHBFHNGNEZJR-WBMJQRKESA-N 315.344 3.659 0 40 DHAB CCCn1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 200802 MLDGPBSUDILVNQ-OAHLLOKOSA-N 321.424 3.866 0 40 DHAB O=CN[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl 524422 IJIKGWHRAOHEIP-MRVPVSSYSA-N 319.040 3.874 0 40 DHAB O=C(Cc1ccccc1)c1cccc(I)c1 2392940 RBJBDLODDSSGNG-UHFFFAOYSA-N 322.145 3.717 0 40 DHAB COc1ccc2c(c1)OC(=O)N[C@@]2(c1ccccc1)C(F)(F)F 2618752 CKAPWEQEGZBLPR-OAHLLOKOSA-N 323.270 3.603 0 40 DHAB Cc1ccc(C)c(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCC3)c1 2966281 GAXYTPRNSUWQIW-OAQYLSRUSA-N 321.444 3.564 0 40 DHAB Cc1ccc(NC(=O)CSc2ncnc3ccccc23)c(C)c1 3254582 DCPCAXTYXVIOOR-UHFFFAOYSA-N 323.421 3.977 0 40 DHAB COc1ccc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 3895632 XIILAZSITCVNCS-UHFFFAOYSA-N 315.413 3.859 0 40 DHAB CC(C)c1cc(=O)[nH]c(SCCOc2ccccc2Cl)n1 4943262 PDZNMMXQANBOCH-UHFFFAOYSA-N 324.833 3.718 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2s1 6422614 AUXZXSZSNGNJGF-UHFFFAOYSA-N 311.410 3.923 0 40 DHAB COc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cn1 6822545 OWCUFVNCPCAFEV-UHFFFAOYSA-N 310.353 3.634 0 40 DHAB Cc1ccc(OCCn2cnc3c(oc4ccccc43)c2=O)cc1 6832422 VSABVJQRABVYML-UHFFFAOYSA-N 320.348 3.530 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)c(C)c1 7436422 RCAIAGFQFFGWKN-UHFFFAOYSA-N 321.779 3.905 0 40 DHAB O=C(Nc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8280128 QLHYMRYEFHQPOB-INIZCTEOSA-N 324.380 3.827 0 40 DHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1c(F)cccc1F 8320432 MPBZUKLZDKHEKA-ZDUSSCGKSA-N 322.380 3.802 0 40 DHAB O=C(O)C1(NCc2ccc(Cl)c(Cl)c2)CCCCC1 8698556 JMXUFOCPVBQGHC-UHFFFAOYSA-N 302.201 3.871 0 40 DHAB CC(C)(C)C(=O)Nc1nnc(CCCc2ccccc2)s1 9582160 FARZTKJRJGJJRK-UHFFFAOYSA-N 303.431 3.698 0 40 DHAB C[C@H](NC(=O)CCCc1cccs1)c1nc2ccccc2[nH]1 9883127 WNUSPZYITMMCCT-LBPRGKRZSA-N 313.426 3.825 0 40 DHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(F)cc1F)C2 11373214 IULMEPXSERSSQG-OAHLLOKOSA-N 305.349 3.929 0 40 DHAB O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCCC1 12323141 LEVWORQNVAQHBH-UHFFFAOYSA-N 319.360 3.696 0 40 DHAB O=C(CCNc1ccc(F)cc1)c1cc2ccccc2oc1=O 12360295 KZTIVVIFTOXOOV-UHFFFAOYSA-N 311.312 3.617 0 40 DHAB biogenic,in-vitro COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 13056680 JUEDHDJGNFBYDF-TXEJJXNPSA-N 324.852 3.573 0 40 DHAB C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13671674 ZJUBQXIBYWGUBD-JTQLQIEISA-N 322.257 3.555 0 40 DHAB CSc1ccc(CN(C)C(=O)/C=C/c2ccc(C)o2)cc1 14110675 ALOXAWIAXAZLBP-DHZHZOJOSA-N 301.411 3.982 0 40 DHAB Cc1ccc(CSc2nc3ccsc3c(=O)n2C)cc1 14158995 HUVADINROUISPN-UHFFFAOYSA-N 302.424 3.596 0 40 DHAB CC(=O)NCc1ccc(-c2csc(NC3CCCCC3)n2)o1 14180752 DLFSVSAYJXLFGX-UHFFFAOYSA-N 319.430 3.784 0 40 DHAB O=C(c1cc(F)cc(F)c1)n1cccc/c1=N\C1CCCCC1 14903741 UCKSSKPSNVUMRB-HEHNFIMWSA-N 316.351 3.688 0 40 DHAB CC[C@]1(C)Cc2c(sc3[nH]c(SC)nc(=O)c23)CS1 17113231 AQYOCGSVJFVKPE-CYBMUJFWSA-N 312.485 3.665 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Sc2ccc(F)c(Cl)c2)no1 24683899 UDCLTWXGPHVRQR-QMMMGPOBSA-N 314.769 3.895 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccccc1F 32571370 XBFILJZITFDGIM-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB O=C(Nc1cccc2nsnc12)c1cc(-c2ccccc2)on1 35672765 SSGMUKAPWCPZJB-UHFFFAOYSA-N 322.349 3.599 0 40 DHAB CCOC(=O)c1c(NC(=O)NC(C)C)sc2c1CC[C@@H](C)C2 36646046 SGRDQFUMMWCBTR-SNVBAGLBSA-N 324.446 3.580 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)N(C)Cc1ccc(F)cc1 40067881 XBMBFSUTUBAAJJ-ZDUSSCGKSA-N 304.365 3.581 0 40 DHAB CN(C(=O)c1cc(-c2ccccc2F)on1)C1CCCCC1 40087361 VTFRVTXWEUOGKL-UHFFFAOYSA-N 302.349 3.885 0 40 DHAB O=C1COc2cc(OCc3ccc(Br)cc3)ccc21 40217199 LITQJAYHQVGYHF-UHFFFAOYSA-N 319.154 3.603 0 40 DHAB COc1cc(OC)cc(C(=O)c2cccc(Br)c2)c1 43210129 AKGVNYWTZQPUEZ-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB COc1ccc(NC(=O)c2sccc2Br)cc1 47957779 LWPRRZADZDIPKR-UHFFFAOYSA-N 312.188 3.772 0 40 DHAB O=C(/C=C/c1cscn1)N[C@H]1CCc2cc(Cl)ccc21 50343312 URVHSZKSJPLPEL-ZRFDWSJLSA-N 304.802 3.613 0 40 DHAB Cc1noc([C@@H]2CCCN(Cc3c(F)cccc3Cl)C2)n1 52861381 OZSVZNQYICGZBJ-LLVKDONJSA-N 309.772 3.550 0 40 DHAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@@H]1c1ccccn1 55522157 VPMJYKFVQIZDNL-QGZVFWFLSA-N 319.364 3.714 0 40 DHAB COc1ccc2[nH]cc(C3CCN(C(=O)C(C)C)CC3)c2c1 55680244 HAKGRLKCKQAPBP-UHFFFAOYSA-N 300.402 3.539 0 40 DHAB Cc1oc(C)c(C(=O)Oc2ccc(N3CCCC3=O)cc2)c1C 58356578 IUDHYFIOWJQENF-UHFFFAOYSA-N 313.353 3.551 0 40 DHAB CC(C)C[C@@H](N)c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 62716608 DVLVMQDVFADKSO-CYBMUJFWSA-N 319.792 3.702 0 40 DHAB O=C(Nc1cccc(-n2cccn2)c1)[C@H]1C[C@H]1c1cccc(F)c1 67052781 REIQLSUTOZDVPO-ROUUACIJSA-N 321.355 3.754 0 40 DHAB Fc1ccc2ncn3nc(Cc4ccccc4Cl)nc3c2c1 71279754 UTJFLGCLVBAMAH-UHFFFAOYSA-N 312.735 3.661 0 40 DHAB Clc1ccc(C2(c3nnc(C4CC4)o3)CCOCC2)cc1 71889809 BEQMWODCELDAPC-UHFFFAOYSA-N 304.777 3.697 0 40 DHAB CCCCN1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 72219364 GYKGRBVVICFBSN-GOSISDBHSA-N 317.477 3.554 0 40 DHAB CCc1ccc(C(=O)Nc2c(C)cc(-n3cnnc3)cc2C)cc1 72228961 CVMYNKXNRDARDO-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB Cc1nc2ccc(NC(=O)N3CCc4ccccc4C3)cc2o1 76102539 PGHFQDWERVOIQY-UHFFFAOYSA-N 307.353 3.726 0 40 DHAB COC(=O)C[C@@H](C)S[C@@H](C)c1nc(-c2cccs2)no1 79358956 HEAKVWDNEVQMPN-BDAKNGLRSA-N 312.416 3.544 0 40 DHAB O=C(Nc1c(F)cccc1Br)c1ccsc1 84246033 KQBPILNHTYNDGN-UHFFFAOYSA-N 300.152 3.902 0 40 DHAB Cc1cnc(C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)cn1 84258159 LRYAFZKTQMSOBF-STQMWFEESA-N 317.820 3.703 0 40 DHAB COCc1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 89420296 VTCOKHMRVUOUKP-WDEREUQCSA-N 305.761 3.822 0 40 DHAB O=S(=O)(Nc1ccccc1-c1ccncc1)c1cccs1 89821266 SLJJYNKNHYZDII-UHFFFAOYSA-N 316.407 3.611 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1-c1ccccn1 89910119 JUEPTHXLPDNBAZ-ZDUSSCGKSA-N 322.364 3.841 0 40 DHAB Cc1[nH]ccc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 95408494 BEEQSCSEGZNHLR-UHFFFAOYSA-N 317.352 3.514 0 40 DHAB CCc1c(NC(=O)N2CC(C)(C)C2(C)C)cnn1CC(C)C 95975671 XSJROXFJHFNLFQ-UHFFFAOYSA-N 306.454 3.754 0 40 DHAB Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H](C)c2ccncc2)c1 96421641 KFLABRZNZDONGO-CVEARBPZSA-N 311.429 3.896 0 40 DHAB C[C@H](C(=O)Nc1nc2c(s1)CCCC2)c1ccccc1F 108956621 CHMAKWBMHQGFDP-JTQLQIEISA-N 304.390 3.903 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(C)c(C)c2)c1 224588583 FLNNJMXSGJLTBA-UHFFFAOYSA-N 310.397 3.833 0 40 DHAB CCCOC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1 225478520 KRGDDBWFKHQTBB-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB CCCO[C@]1(C(=O)Nc2cnc(OC)c(C)c2)CCC[C@@H](C)C1 225911360 FYGBOQABAFRGAP-FZKQIMNGSA-N 320.433 3.713 0 40 DHAB O=C(c1cn(-c2cccc(C(F)(F)F)c2)cn1)N1CCCCC1 226751430 UHPCVIKHHAUDCK-UHFFFAOYSA-N 323.318 3.517 0 40 DHAB O=C(c1ccsc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 226799105 JNJGNXOOCMUMHT-CYBMUJFWSA-N 312.350 3.926 0 40 DHAB Cc1ccc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cc1C 322742437 YZUKNLPYVPRBAJ-MRXNPFEDSA-N 309.365 3.522 0 40 DHAB CCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)c2ccccc21 409118568 RHRJJPRJJIAQJZ-PTNGSMBKSA-N 309.365 3.698 0 40 DHAB O=C(Cc1cncc2ccccc12)N1CC[C@@H]1c1ccccc1 1540812724 RQIOWPDKKAGLIV-LJQANCHMSA-N 302.377 3.751 0 40 DHAB Cc1ncoc1CNC(=O)C1(c2cccc(Cl)c2)CC(C)C1 1603310605 FTEJCZMZMXENDB-UHFFFAOYSA-N 318.804 3.621 0 40 DHAB Cc1ccc(-c2cn(-c3ccccc3)nc2N2CCOCC2)cc1 1775968666 JTMSUGQGATWXBB-UHFFFAOYSA-N 319.408 3.684 0 40 DHAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3)CC2=O)cc1 44999 RBUKRBQQEKPQFP-INIZCTEOSA-N 322.408 3.549 0 40 DHAB FC(F)(F)c1nc(-n2cnc3ccccc32)c2ccccc2n1 1292871 DYIMMRFUWMEAQB-UHFFFAOYSA-N 314.270 3.988 0 40 DHAB CCN(CC)CCC[C@H](C)Nc1ncnc2oc(C)c(C)c12 1560346 PESHUDHSFUXZKS-LBPRGKRZSA-N 304.438 3.762 0 40 DHAB Cc1cccc(N2C(=O)S[C@H](Nc3cccc(F)c3)C2=O)c1 2412500 MRAZXIIOWAYHNV-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1C 3244284 LAOOLYZOVFQCNB-UHFFFAOYSA-N 323.421 3.977 0 40 DHAB COc1cc2nc(NC(=O)C3CCCCC3)sc2cc1OC 4479909 MQLQKGYIOIVOOX-UHFFFAOYSA-N 320.414 3.832 0 40 DHAB Cc1cc(OC(=O)c2ccc3c(c2)OCCO3)ccc1Cl 4503113 CTYASEHEVQUVGZ-UHFFFAOYSA-N 304.729 3.639 0 40 DHAB C[C@H](Oc1ccccc1)c1nn2c(-c3ccco3)nnc2s1 4938852 LAZCLAKLZYHUQH-JTQLQIEISA-N 312.354 3.586 0 40 DHAB CC(C)(C)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 5555155 XFWSNFVAULFNNT-UHFFFAOYSA-N 314.381 3.666 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN1C[C@H](C)C[C@@H](C)C1 6007750 GNUQLAUHEYANBI-BRWVUGGUSA-N 305.462 3.528 0 40 DHAB CCOc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 6963047 SUYLJCKHCGSHMT-UHFFFAOYSA-N 324.424 3.656 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(SC)c1 8558256 IYUSLYMSICGKQD-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccco1 8751508 FLKKYVXHTBGGHG-CYBMUJFWSA-N 321.380 3.834 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cccn2)cc1 12623789 IZEJWVKCXQBNTB-HNNXBMFYSA-N 305.381 3.706 0 40 DHAB CN(Cc1ccsc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 12911092 YACQNFRFDZRNMB-UHFFFAOYSA-N 323.483 3.866 0 40 DHAB CCSc1nnc(NC(=O)/C=C/Sc2ccccc2)s1 12927918 VGXGXEPYJFICEH-CMDGGOBGSA-N 323.468 3.895 0 40 DHAB C[C@@H](N[C@H]1CCCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 16046926 VUXXXWLASZHJPN-DYVFJYSZSA-N 319.408 3.651 0 40 DHAB Fc1cccc(Cn2c([C@@H]3CCCNC3)cc3cccnc32)c1 19293949 UATZYHXHOHGTBZ-MRXNPFEDSA-N 309.388 3.691 0 40 DHAB O=C(NCc1ccco1)c1ccccc1COc1ccccc1 21703152 SYFQIAUVJBUDDI-UHFFFAOYSA-N 307.349 3.789 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccccc3F)c(C)nc2c1 27029549 LSDZZTGWWFMSGQ-UHFFFAOYSA-N 310.328 3.943 0 40 DHAB Cc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)s1 31267938 PNGLTHFPLLPQIG-QGZVFWFLSA-N 315.438 3.642 0 40 DHAB CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 37619324 OSLLVFGCOKJNNK-ZANVPECISA-N 303.233 3.688 0 40 DHAB CCCCOc1ccc(C(=O)NC[C@@H]2Cc3ccccc32)cc1 40148967 GJOJQSHZYTVDLI-KRWDZBQOSA-N 309.409 3.935 0 40 DHAB Cc1cn(CC(=O)N2CCC[C@H]2c2ccccn2)c2ccccc12 50610289 HHCBELIOMPGSKE-IBGZPJMESA-N 319.408 3.708 0 40 DHAB Cc1ccc(C)c(CNc2ccc3nc4n(c(=O)c3c2)CCC4)c1 55844207 FDXZPDSLMBYOFL-UHFFFAOYSA-N 319.408 3.572 0 40 DHAB CCCNC(=O)[C@H](C)SCc1csc(-c2ccco2)n1 58154212 UGFIJOGPLYZGMK-JTQLQIEISA-N 310.444 3.551 0 40 DHAB Cc1noc(C)c1NC(=O)N(C)Cc1c(F)cccc1Cl 60343581 BXGANUGTIROBLP-UHFFFAOYSA-N 311.744 3.748 0 40 DHAB O=C(Nc1ccc(SC2CCCC2)cc1)N1CCC[C@@H]1CO 72288019 LQJVCXWEKGDHTG-CQSZACIVSA-N 320.458 3.710 0 40 DHAB O=C(OCCCc1cccnc1)c1coc(-c2ccccc2)n1 78031933 DJXUGPQOLIKUCC-UHFFFAOYSA-N 308.337 3.526 0 40 DHAB Cc1ccc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1F 78698704 IQDXGZBFUOTCMM-INIZCTEOSA-N 317.360 3.549 0 40 DHAB C[C@@]1(C(=O)Nc2cccc(-c3ncc[nH]3)c2)CC1(Cl)Cl 78797148 KOIKBZDEVHJNMO-ZDUSSCGKSA-N 310.184 3.599 0 40 DHAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1C[C@@H]1c1ccccc1 84525439 PGXJSSPASSVMOC-HUUCEWRRSA-N 321.405 3.947 0 40 DHAB O=c1c2cc(Br)ccc2cnn1C1CCCCC1 95095819 VCFWSNPNDMZNAJ-UHFFFAOYSA-N 307.191 3.664 0 40 DHAB Cc1cnc(NC(=O)NCc2ccc(OC(C)C)c(F)c2)s1 95381594 UTCDESMPGUOEKC-UHFFFAOYSA-N 323.393 3.700 0 40 DHAB COc1cc(F)c(NCc2csc(C3CC3)n2)cc1OC 95442919 CBFMLGPPULLUEC-UHFFFAOYSA-N 308.378 3.789 0 40 DHAB CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc2ccccc2o1 95969206 HBVKEFWHACKJDU-JSGCOSHPSA-N 310.401 3.772 0 40 DHAB Cc1ncc(C(=O)N(C)CCC(F)(F)F)c(Cl)c1Cl 95978374 QIBTXJWWDFOBOZ-UHFFFAOYSA-N 315.122 3.721 0 40 DHAB C[C@H]1COCCN1C(=O)Nc1sc2ccccc2c1Cl 96406755 VACMIBZEZWGOJL-VIFPVBQESA-N 310.806 3.807 0 40 DHAB CC[C@@H](C)c1cc(C(=O)Nc2ccc(CN(C)C)cc2)on1 96423573 FGEGUZKSSHQODX-GFCCVEGCSA-N 301.390 3.502 0 40 DHAB C[C@H]1CN(C(=O)Nc2nnc(C(F)F)s2)[C@@H]1c1ccccc1 97099281 ALGIQCILEWPGCL-WPRPVWTQSA-N 324.356 3.701 0 40 DHAB Cc1cc(C)c(OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c(C)c1 100279454 NWZQXEHMRAUYMK-OALUTQOASA-N 316.397 3.639 0 40 DHAB Cc1ccsc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 102679682 IWCYADZXIHZNAE-CYBMUJFWSA-N 314.414 3.956 0 40 DHAB C[C@]12C=C[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118931229 MQKCILYFKAJWDB-IJMQKCTASA-N 302.458 3.837 0 40 DHAB CCC(=O)N1CC[C@@H](N[C@H](C)c2cc3ccccc3s2)C1 188156569 BMHLVSKIGLAEOX-TZMCWYRMSA-N 302.443 3.563 0 40 DHAB O=C(Nc1cnns1)N[C@H](c1ccccc1F)C1CCCC1 192368384 AUNJSWZOPDKVDG-AWEZNQCLSA-N 320.393 3.730 0 40 DHAB Cc1ccc(CN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 214511953 KEOIXHSOHVMSBI-OQLLNIDSSA-N 310.378 3.627 0 40 DHAB S=C(NCCCc1ccc(Cl)cc1)Nc1ccncc1 225545764 LQIZBCMZVVLZTL-UHFFFAOYSA-N 305.834 3.654 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=O)NC2CCCCC2)c1 225755407 DSPWLLKFCKMGQP-UHFFFAOYSA-N 304.390 3.626 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2conc2-c2ccccc2)c1 225872398 SNRKTTKFZDZRCD-UHFFFAOYSA-N 321.336 3.552 0 40 DHAB CCCCOc1ncc(NC(=O)[C@](C)(CCC)OC)cc1C 225884426 ASJLXDDSENGRII-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB S=C(NCCC1=CCCCC1)Nc1cccc2cnncc12 408976275 QHMQPKJOZJSWFF-UHFFFAOYSA-N 312.442 3.807 0 40 DHAB Fc1ccccc1-c1nc(SCc2cnc(C3CC3)o2)n[nH]1 585133047 PHCCHNKPTGJBOE-UHFFFAOYSA-N 316.361 3.769 0 40 DHAB C[C@@H]1C[C@H](OC(=O)CCSc2ccccc2)c2nccn21 585136168 UNOWNAGWGPVRKM-OCCSQVGLSA-N 302.399 3.615 0 40 DHAB CC(C)(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 179736 ZQTSGDCNJLBQAM-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB O=C(Nc1nc2ccccc2s1)c1cc(=O)c2ccccc2o1 189179 LJJITSQRKQKUBE-UHFFFAOYSA-N 322.345 3.655 0 40 DHAB Cc1ccc(OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 268711 XGCHIJHRKMTYLA-DNVCBOLYSA-N 301.430 3.801 0 40 DHAB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2NC(C)C)cc1 382932 LTNRLSZCMPVRRJ-AQTBWJFISA-N 319.408 3.737 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccc(N(C)C)cc3)[C@@H]1[C@@H]2C 519298 ARHZHRUTGKCDRK-HVXNZKGKSA-N 315.457 3.651 0 40 DHAB biogenic COc1ccc(OCCn2cc(C(C)=O)c3ccccc32)cc1 807241 RNIOQBSECAJBMS-UHFFFAOYSA-N 309.365 3.932 0 40 DHAB O[C@@]1(Cc2ccccn2)c2ccccc2C[C@@H]1c1ccccc1 1730368 VIQVBGUQONMGJF-RTWAWAEBSA-N 301.389 3.852 0 40 DHAB CCCCc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 1780716 BQTKIBWUKUDDGV-UHFFFAOYSA-N 314.410 3.590 0 40 DHAB O=C(CSc1ccc(F)cc1)NCCc1ccc(Cl)cc1 2642604 UVNDOBMHBUQFAI-UHFFFAOYSA-N 323.820 3.930 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 3422992 WADQQXWWMSRSDF-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB Cc1ccc(-c2csc3[nH]c(=S)n(C)c(=O)c23)cc1C 6506479 UDKXJQPVAJAGSW-UHFFFAOYSA-N 302.424 3.941 0 40 DHAB CSCCCNC(=S)Nc1ccc(N2CCCCC2)cc1 6507979 BHGZHATVDXXWLP-UHFFFAOYSA-N 323.531 3.716 0 40 DHAB CCCOc1ccc(C(=O)Nc2ncc(C)s2)cc1OCC 6627750 DLLGJHQUJMMCEQ-UHFFFAOYSA-N 320.414 3.891 0 40 DHAB CC(=O)c1ccc(NC(=O)CSCc2cccs2)cc1 6692839 MKKJSJPBQWIHEX-UHFFFAOYSA-N 305.424 3.823 0 40 DHAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1C1CC1 7289635 GNAVMJNYKUYPOP-UHFFFAOYSA-N 317.414 3.675 0 40 DHAB S=C(NCc1cccs1)N[C@H]1CCSc2ccccc21 7735971 BHKSEADNYOXOGM-ZDUSSCGKSA-N 320.508 3.949 0 40 DHAB CCc1ccccc1NC(=O)CCc1nc(-c2ccccc2)no1 8061470 OHKLDEPKWMRMGX-UHFFFAOYSA-N 321.380 3.870 0 40 DHAB Cc1cc(C(=O)O)c(NC(=S)Nc2ccccc2F)s1 8300962 OOKONUWZCWJSEM-UHFFFAOYSA-N 310.375 3.703 0 40 DHAB CCN(CC)Cc1c(C)nc2ccc(Br)cc2c1O 8714075 DJCGYKBGUPUOPN-UHFFFAOYSA-N 323.234 3.853 0 40 DHAB COc1cc(/C=C/C(=O)Nc2cc(F)ccc2F)cc(OC)c1 9390159 DEDYNWJSSHAAEG-ZZXKWVIFSA-N 319.307 3.634 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)c1cc2ccccc2oc1=O 9455674 MBSAUGPACLLFSU-ZDUSSCGKSA-N 307.349 3.592 0 40 DHAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccncc1 12325066 ARRFTJKXGYAXPQ-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccncc2)cc1 12916574 WNGKFCRPFQBBJQ-SFHVURJKSA-N 310.397 3.848 0 40 DHAB Cc1ccc(NC(=O)c2ccccc2Br)cc1N 19514507 SXGFBGHHMPPGQT-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB COc1ccc(-c2nc3ccccc3s2)cc1NC(N)=S 20158819 PBMDVCLOIXQUBA-UHFFFAOYSA-N 315.423 3.627 0 40 DHAB CN(Cc1cccc(Cl)c1)C(=O)c1cc(Cl)ccc1O 21916366 RVNGIVOUYDTDBI-UHFFFAOYSA-N 310.180 3.971 0 40 DHAB OCCSc1ccc(-c2ccc(CO)o2)c(Cl)c1Cl 22124745 AMTHVJMFHZFXRX-UHFFFAOYSA-N 319.209 3.830 0 40 DHAB O=C(Nc1cccc(Cl)c1Cl)c1cc(C(F)(F)F)n[nH]1 28235545 WPNKLXGNDYFJAU-UHFFFAOYSA-N 324.089 3.988 0 40 DHAB Cc1nc(NS(=O)(=O)c2ccc(C(C)C)cc2)sc1C 28248685 VBDZDQINCVASOG-UHFFFAOYSA-N 310.444 3.684 0 40 DHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCO[C@@H](c2ccccc2)C1 29537579 NEXDEUHXRIABAH-DZGCQCFKSA-N 315.417 3.502 0 40 DHAB CC1=NN(c2ccc(C(=O)N(C)Cc3ccc(C)cc3)cc2)CC1 32926725 YYPBEGYAERSMPK-UHFFFAOYSA-N 321.424 3.853 0 40 DHAB CSc1ccc(CN(C)C(=O)c2ccc3nccnc3c2)cc1 32966518 ZEDNCLCFYZOEAC-UHFFFAOYSA-N 323.421 3.624 0 40 DHAB CC[C@H]1CCc2sc(C(=O)N(C)Cc3cccnc3)cc2C1 32967282 GPNGSVIXHUNFPN-ZDUSSCGKSA-N 314.454 3.930 0 40 DHAB C[C@@H]1Oc2cc(Br)c(Br)cc2O[C@H]1C 33949120 PFHMDNFRAWYOKB-WDSKDSINSA-N 321.996 3.760 0 40 DHAB O=C1Nc2ccccc2/C1=C\c1csc(-c2ccccn2)n1 44013363 ZZBANBQOKFVJRA-UKTHLTGXSA-N 305.362 3.698 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCCSC1CCCC1 46450606 YSLCLAQZUDPZTM-UHFFFAOYSA-N 313.850 3.754 0 40 DHAB COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(C)o2)c1 47711363 HYNZNDQAIAVQQJ-LLVKDONJSA-N 317.345 3.649 0 40 DHAB C[C@H](C(=O)Nc1ccc(SC(F)(F)F)cc1)n1ccnc1 56482540 CMWYHGMRZOQIDJ-SECBINFHSA-N 315.320 3.695 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN(c2cc(Cl)nc(N)n2)C2CC2)o1 58344418 FWOMNXJRWRFNSG-BXKDBHETSA-N 318.808 3.598 0 40 DHAB C[C@H]1CCN(C(=O)[C@@H]2CCOC2)c2cc(Cl)ccc2S1 60129465 NYDGYWVTDGJIQH-WDEREUQCSA-N 311.834 3.594 0 40 DHAB Cc1noc(C)c1CNC(=O)CS[C@H](C)c1ccc(F)cc1 69771773 OELFVBKCAQJSRP-GFCCVEGCSA-N 322.405 3.541 0 40 DHAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)c(C)o1 71195619 CCGHUHDCAVEVIO-OAHLLOKOSA-N 315.417 3.655 0 40 DHAB C[C@@H](CC1CCCCC1)C(=O)NCCc1nccn1C(F)F 71907596 XBFJAMISGIXTCO-LBPRGKRZSA-N 313.392 3.543 0 40 DHAB O=C(CC[C@@H]1CCCCO1)N1CCCC[C@@H]1c1nccs1 72285836 QRXDUODKDWRXSJ-UONOGXRCSA-N 308.447 3.546 0 40 DHAB O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccoc1 78814115 QDRYEDLHRNYLRR-UHFFFAOYSA-N 317.410 3.944 0 40 DHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)Sc3ccccc32)cc1 79073707 XZUMBONGXRCRMR-CYBMUJFWSA-N 319.451 3.685 0 40 DHAB CCc1cc2c(N3CCN(C)c4ccccc4C3)ncnc2s1 83820551 QZWQNLJXINQVPH-UHFFFAOYSA-N 324.453 3.710 0 40 DHAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1ccccc1F 84736176 DKCVQELSOUAMGS-PMUMKWKESA-N 318.436 3.513 0 40 DHAB Cc1c(C(=O)O)oc2ccc(Br)c(OC(C)C)c12 85395663 PVPPTWCCGLSPSO-UHFFFAOYSA-N 313.147 3.989 0 40 DHAB CN(C)c1ccccc1NCc1ccc(Oc2cnccn2)cc1 96486269 FMYAZUISMFFZTK-UHFFFAOYSA-N 320.396 3.947 0 40 DHAB C[C@H](c1ccccn1)N(C)Cc1ccc(Oc2cnccn2)cc1 97058790 WXVORVUGCZAHBK-OAHLLOKOSA-N 320.396 3.857 0 40 DHAB COc1ccc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 97371378 BUBSUVKOMJYLOG-UHFFFAOYSA-N 376.909 3.790 0 40 DHAB C[C@@H]1Cc2cc(CN3[C@@H]4CC[C@@H]3c3cccnc3C4)ccc2O1 100198487 AYJQRXUMHWDPRA-VVFCZOMOSA-N 306.409 3.667 0 40 DHAB O=C(c1ccc(Oc2ccccc2)cc1)N1[C@H]2CCC[C@H]1COC2 101328559 DQPXJTNEOVZQAO-IRXDYDNUSA-N 323.392 3.872 0 40 DHAB CC[C@@H]1C[C@@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CCN(C2)[C@H]13 104083586 GZIPIZQXYGKJCX-WMTXDGDDSA-N 324.468 3.947 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 105715524 VFIDBQQURVTOGP-RWMBFGLXSA-N 304.365 3.549 0 40 DHAB CC(C)c1cnc(NC(=O)Nc2cc([C@H]3C[C@@H]3C)n[nH]2)s1 192390491 ITKPYVHQWXZMCT-IUCAKERBSA-N 305.407 3.757 0 40 DHAB CCn1c(Cl)nc2cc(C(=O)N(C(C)C)C(C)C)ccc21 222544908 TYMNPDBXTQGAHX-UHFFFAOYSA-N 307.825 3.969 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2cc(C)ccc2C)cc1 224005887 TWRBIBIDGUCKEE-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB COC(=O)[C@@H]1C[C@@H](C(F)(F)F)CC2(C1)SCCCS2 225757839 BTMMPHFRAPWXIM-RKDXNWHRSA-N 314.394 3.704 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2c(C)cc(N)cc2Cl)c1 226763305 XZQOHLCIQFUFQV-UHFFFAOYSA-N 320.776 3.500 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1-n1cccn1 248112562 OLZGUOVBTPRGNZ-MUQADHOPSA-N 323.440 3.735 0 40 DHAB Cc1cc2cncn2c([C@H]2CCCCN2C(=O)CC(C)(C)C)n1 257336235 YNPWXWVICMZIBR-OAHLLOKOSA-N 314.433 3.528 0 40 DHAB O=C1Nc2ccccc2S/C1=C\c1ccc2c(c1)OCCO2 409104982 HFYJZEKHCDIRFX-YBEGLDIGSA-N 311.362 3.543 0 40 DHAB O=C(NC[C@H](c1ccco1)c1cccs1)c1cccs1 585146692 CVPGPUPDBKYZKT-LLVKDONJSA-N 303.408 3.965 0 40 DHAB Cc1ccc(OCC(=O)Oc2ccc(Br)cc2)cc1 38591 VGYHOANKWTUJSS-UHFFFAOYSA-N 321.170 3.742 0 40 DHAB c1ccc(Cn2c3c(c4ccccc42)CCc2nonc2-3)cc1 102095 WHMDSTSMZBRAOK-UHFFFAOYSA-N 301.349 3.838 0 40 DHAB O=C(c1ccc2ccccc2n1)[C@H](O)c1ccc2ccccc2n1 1668716 TXCWGFLXCXNBQM-LJQANCHMSA-N 314.344 3.699 0 40 DHAB CN(C)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 3318332 ZBMKOTYTDCJUDR-UHFFFAOYSA-N 323.223 3.989 0 40 DHAB O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2=O)cc1 5441217 UWIMUARGSAZYRK-UHFFFAOYSA-N 322.408 3.775 0 40 DHAB O=Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 5653244 NGYSAVBWCKUQNO-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB O=C1CN=C(c2ccc(F)cc2)c2c(sc3c2CCCC3)N1 6557385 NCLGWSFRBOINDA-UHFFFAOYSA-N 314.385 3.556 0 40 DHAB Cc1sc2ncnc(SCC(=O)c3ccc[nH]3)c2c1C 6790364 UXOLDDYAPQGRQI-UHFFFAOYSA-N 303.412 3.611 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)CSC2CCCCC2)c1 6935813 FXLHSGCRJJUUBW-UHFFFAOYSA-N 321.442 3.786 0 40 DHAB Cc1ccc(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 7958925 DGMCOCZKECKIJV-OAHLLOKOSA-N 315.800 3.516 0 40 DHAB CC(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)c(F)c1 8225545 CUIQQWUENAYNIT-UHFFFAOYSA-N 313.357 3.970 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2ccc(SC)cc2)c1 10510732 QZZGBPNXHXGQJY-UHFFFAOYSA-N 303.383 3.678 0 40 DHAB CC(C)COc1ccc(-c2nonc2NC(=O)CC(C)C)cc1 11915559 LOQCBWQZLAZDCK-UHFFFAOYSA-N 317.389 3.756 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(C)cc3)cc2c1 12493150 NNGYJIRLKFTZCD-UHFFFAOYSA-N 308.381 3.847 0 40 DHAB CC1(C)Oc2ccccc2O[C@@]1(O)c1ccc2ccccc2n1 12595020 BRSRMBIRKVDRSC-IBGZPJMESA-N 307.349 3.630 0 40 DHAB CCc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 12752579 PWLNDKCLGVWOLH-UHFFFAOYSA-N 303.365 3.958 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)cc1 12753329 MLFXJOHLRMJOIT-LBPRGKRZSA-N 309.369 3.884 0 40 DHAB COc1ccc([C@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 13131456 FKGAZANKFJFJLQ-QZTJIDSGSA-N 320.396 3.741 0 40 DHAB aggregator Cc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccccc2)no1 13495477 BXRLBRDSAHYFEF-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB S=c1nc(/C=C/c2ccccc2)[nH]n1CN1CCCCC1 14186817 NPWDDGLWGWQNRS-MDZDMXLPSA-N 300.431 3.554 0 40 DHAB COc1ccc(-c2nnc(COc3ccccc3Cl)o2)cc1 14215283 RNTZAIHURLNTCE-UHFFFAOYSA-N 316.744 3.978 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)NCc3cccnc3)ccc2c1 17168938 WHUPTQMTRMWKIP-AWEZNQCLSA-N 320.392 3.663 0 40 DHAB Cc1[nH]c2ccccc2c1[C@H](c1ccccc1)N1CCN(C)CC1 19902623 VBJJVQACEPQLIQ-NRFANRHFSA-N 319.452 3.813 0 40 DHAB Cc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)nc1 26024195 CAQODCLQARWMKC-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB O=C(NCCc1ccccc1F)NCc1ccc(Cl)s1 26168114 BEFXJFSCYOPALT-UHFFFAOYSA-N 312.797 3.583 0 40 DHAB COc1ccc(NC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 28579494 ZZJFYGFWADQVKS-UHFFFAOYSA-N 322.368 3.584 0 40 DHAB Cc1cccc(OCCCNC(=O)N[C@@H](C)c2cccs2)c1 29732660 HVPRDWLEDLXYPH-AWEZNQCLSA-N 318.442 3.886 0 40 DHAB Nc1ccc(-c2nc(-c3ccccc3Br)no2)cc1 34797680 WUPMSSOLLIKUHX-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB Cc1nc(COc2ccccc2)sc1C(=O)NC(C)(C)C 36107948 XHASFCBLXHAYCR-UHFFFAOYSA-N 304.415 3.559 0 40 DHAB O=C(Nc1nc2ccccc2s1)c1noc2c1CCCCC2 36357570 CVTIOBMTWBIWQG-UHFFFAOYSA-N 313.382 3.806 0 40 DHAB O=C(O)c1nsc2c1N=C(O)C[C@@H]2c1cccc(Cl)c1 36559082 IXHZGXFSBARJLH-MRVPVSSYSA-N 308.746 3.618 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)NCCc1ccc(F)cc1 40150003 IDDJQWOCWGQHIR-UHFFFAOYSA-N 314.404 3.988 0 40 DHAB CCN(C(=O)c1ccc(-c2nc(C)no2)cc1)c1ccccc1 40489898 BIGDDZBYTSXOCB-UHFFFAOYSA-N 307.353 3.712 0 40 DHAB Oc1cccc(-c2nc(COc3ccc(Cl)cc3)no2)c1 40542134 RJMGGXUDMHHJGA-UHFFFAOYSA-N 302.717 3.675 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2ccc(Br)o2)s1 41395997 KFEFTLUFNAXHSE-UHFFFAOYSA-N 314.204 3.684 0 40 DHAB CC(=O)c1ccc(OCc2ccc(C(=O)N3CCCC3)cc2)cc1 57645501 SNXMEERXUWLADM-UHFFFAOYSA-N 323.392 3.704 0 40 DHAB O=C(NCCSCc1ccccc1F)c1cccc(F)c1 60906353 IDTVMWBUWQUUON-UHFFFAOYSA-N 307.365 3.628 0 40 DHAB CC[C@@H](C)NC(=O)N(C)C1CCN(c2ccc(Cl)cc2)CC1 65578631 QWDOPPNMJHKCPC-CYBMUJFWSA-N 323.868 3.749 0 40 DHAB CCN(C[C@@H]1CCCO1)C(=O)c1cc(C2CC2)nc2ccccc12 67681053 IAUYBLBIXCVADW-HNNXBMFYSA-N 324.424 3.753 0 40 DHAB Cc1c(C(=O)N2CCC[C@H](n3ccnc3C)C2)oc2ccccc12 69769204 UIAOUBNETOBSEL-HNNXBMFYSA-N 323.396 3.723 0 40 DHAB C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)Nc1cn[nH]c1 69894454 MOQGSUOYIRJRFN-AWEZNQCLSA-N 321.384 3.600 0 40 DHAB C[C@@H](N[C@H](C)c1nccn1C)c1ccccc1Br 70443973 RREYNVYAISWYOC-GHMZBOCLSA-N 308.223 3.594 0 40 DHAB CN(C)c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1N 72229269 VENKLOFEQATRSQ-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB Cc1ccccc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 72366756 ZCIXBNJDXNNAEG-LJQANCHMSA-N 318.424 3.913 0 40 DHAB c1cc([C@H]2CCCN(C3CCCCC3)C2)nc(-n2ccnc2)c1 72378710 QLLSBISZAZPDDY-INIZCTEOSA-N 310.445 3.779 0 40 DHAB COCc1c(C(=O)N2CCCc3ncccc32)oc2ccccc12 78404874 QYHBMLFRCGQGOX-UHFFFAOYSA-N 322.364 3.567 0 40 DHAB CCc1nc(CSc2nc(-c3cccs3)n[nH]2)cs1 83830358 NVMHDQOLLWMSRI-UHFFFAOYSA-N 308.457 3.844 0 40 DHAB OC1CCN(c2ccc(Nc3nc4ccccc4o3)cc2)CC1 84600449 CMQRKCUWOZEFAD-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB CCN1CC[C@@H](N(C)C(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 84779992 GZAAAPYZNNNXMH-IAGOWNOFSA-N 317.477 3.806 0 40 DHAB CC(C)c1noc(CCN[C@@H](C)c2ccc(F)cc2Cl)n1 89577986 YZYRNKDUFYNZQX-JTQLQIEISA-N 311.788 3.879 0 40 DHAB CC(=O)Nc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1 89980265 YOOASRZSJGSGRJ-UHFFFAOYSA-N 320.396 3.502 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1COC(F)(F)C(F)(F)F 91252507 AMNOHYCZUCGVFA-MRVPVSSYSA-N 319.270 3.558 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N[C@H]2C=CCCC2)c(Cl)c1 95411751 JVSUTRGTEOOFTQ-NSHDSACASA-N 307.781 3.529 0 40 DHAB O[C@H](CN[C@H](Cc1ccccc1)C(F)(F)F)c1ccsc1 95422957 GGVVHUBONVPRLG-ZIAGYGMSSA-N 315.360 3.545 0 40 DHAB CCC(=O)N1CC[C@@H](N[C@H](C)c2cc3cc(Cl)ccc3o2)C1 95988003 YVEDMSPDDWZJFT-BXUZGUMPSA-N 320.820 3.748 0 40 DHAB Cc1cccc(N(C)C(=O)CCSc2ccccc2F)n1 96411580 QQWFZUWQQHYDRJ-UHFFFAOYSA-N 304.390 3.674 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)C(C)(C)C)cc1 96461633 URAUURGOZFRXBF-UHFFFAOYSA-N 320.433 3.738 0 40 DHAB O=C(O)c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1 96693786 GMFHGJBOHZGEER-UHFFFAOYSA-N 306.325 3.662 0 40 DHAB CCCn1c(C)nnc1CN[C@@H](C)c1c(F)cccc1Cl 97033649 LYRGSPISBPSDIB-JTQLQIEISA-N 310.804 3.640 0 40 DHAB Cc1cc(-c2nnc(CN(C)[C@@H]3CCCC[C@@H]3C)o2)c(C)o1 97103346 NPLHIJKKNIZWBC-XHDPSFHLSA-N 303.406 3.957 0 40 DHAB CCN(C(=O)c1csnc1C)[C@@H](c1cccnc1)C(C)C 97237492 ZGVMCUBDOOAIKN-OAHLLOKOSA-N 303.431 3.706 0 40 DHAB Cc1ccc(C[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 100561390 FJFAARYSCCJBPB-QGZVFWFLSA-N 307.393 3.734 0 40 DHAB Cc1ccc(COc2ccc(-c3nn4cnnc4s3)cc2)cc1 226298539 MEHKKVBPGOYNCV-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1-n1cccn1 248112565 OLZGUOVBTPRGNZ-OVWQWFNUSA-N 323.440 3.735 0 40 DHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251239100 SLWXHCPVXFBNLL-QAETUUGQSA-N 301.430 3.766 0 40 DHAB CCc1nnc2ccc(N[C@@H](C)c3cc(C)sc3C)nn12 267247554 TZGWZSWQEHEHHD-JTQLQIEISA-N 301.419 3.538 0 40 DHAB COc1cccc(C(=O)NCCSCc2cccc(C)c2)c1 408907515 PVWIVHQLPOLJDN-UHFFFAOYSA-N 315.438 3.667 0 40 DHAB O=C(O)C/C(=C/c1ccc2c(c1)CCO2)c1nc2ccccc2o1 515431032 OBSCFEUOQXUVRB-UVTDQMKNSA-N 321.332 3.778 0 40 DHAB O=C1CC[C@]2(CCCN(CC3CC3)CC2)N1CC1CCCCC1 585100636 RGPNIFXAGBNJIL-FQEVSTJZSA-N 318.505 3.824 0 40 DHAB O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1ccoc1C1CC1 585141255 SDPNTAQJANOTCT-INIZCTEOSA-N 322.364 3.859 0 40 DHAB Cc1nc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cs1 1206798912 KOMZNBXHUJXTFB-UHFFFAOYSA-N 322.861 3.589 0 40 DHAB CC(=O)Oc1cn(C(C)=O)c2ccc(OCc3ccccc3)cc12 2362797604 RBJWILBTRMLYLB-UHFFFAOYSA-N 323.348 3.806 0 40 DHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(F)cc1 295917 NBZBYTRKXVDUEC-ZROIWOOFSA-N 301.704 3.824 0 40 DHAB Cc1cc(O[C@@H](C)C(=O)O)c2c(-c3ccccc3)cc(=O)oc2c1 518545 HEYIRNNMPLLLID-LBPRGKRZSA-N 324.332 3.620 0 40 DHAB biogenic O=C(COC(=O)c1ccc2ccccc2c1O)c1cccs1 578843 WYUGSWCJFPEVAA-UHFFFAOYSA-N 312.346 3.647 0 40 DHAB CC(C)CN(CC(C)C)C(=O)CSc1nc2ccccc2[nH]1 1101809 WAHJFTISGHBESO-UHFFFAOYSA-N 319.474 3.796 0 40 DHAB COc1cc2ncnc(Nc3ccc(F)cc3F)c2cc1OC 1386780 WTKCXIAUFZSYSE-UHFFFAOYSA-N 317.295 3.669 0 40 DHAB CCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12 3044799 DHOFCFKVLZADDP-UHFFFAOYSA-N 305.381 3.827 0 40 DHAB CCSc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1 3491868 MYYHCATYMNQQRU-UHFFFAOYSA-N 310.422 3.865 0 40 DHAB CCOC(=O)[C@@H]1CC[C@@](C)(C(=O)Oc2ccccc2)C1(C)C 3845989 XCRWGOGPEPOQEN-KSSFIOAISA-N 304.386 3.598 0 40 DHAB biogenic CCC(=O)N[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998173 ITJUZXFJWLTAGB-NSHDSACASA-N 301.390 3.621 0 40 DHAB O=C(c1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1 6979879 YDWSHJLRHJAPHQ-UHFFFAOYSA-N 324.808 3.503 0 40 DHAB Cc1nc(Nc2cccc(C(F)(F)F)c2)sc1C(=O)O 8015520 GDQOFFQRWPDFLP-UHFFFAOYSA-N 302.277 3.912 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 8479930 BZUVKFJOVMIUJL-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB O=C1COc2ccccc2N1Cc1ccc(-c2ccccc2)o1 9295562 FRZJAUSOFINYHU-UHFFFAOYSA-N 305.333 3.872 0 40 DHAB O=C(CCSCc1c[nH]c2ccccc12)NCc1ccco1 9614603 NYGNMZOJPYKQIF-UHFFFAOYSA-N 314.410 3.701 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 10925211 YUVJLAJTJZGVLX-UHFFFAOYSA-N 308.381 3.904 0 40 DHAB CCc1ccc(CN(C)CC(=O)N[C@@H](C)c2cccs2)cc1 12866513 FOIJPMNGVORQTP-AWEZNQCLSA-N 316.470 3.620 0 40 DHAB COc1ccc(-c2cc(CC(=O)Nc3ccccc3C)no2)cc1 12866683 AQPNUNLLDGMYPT-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB Cc1ccc(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)c(C)c1 13249859 DFSMDFYPFAGFTK-IBGZPJMESA-N 311.381 3.675 0 40 DHAB CCCCc1c(O)nc(-c2ccccc2Br)oc1=O 16639531 FPVJLPAHIOTBRC-UHFFFAOYSA-N 324.174 3.513 0 40 DHAB Fc1cc(F)cc(-c2cc(-c3ccccc3)nc3ncnn23)c1 20800306 ODVSUWRWPJMEDJ-UHFFFAOYSA-N 308.291 3.737 0 40 DHAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccccn1 24033176 DNXATFXVVYISJP-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1cccs1 25065752 FMCICWXKPSKEFD-UHFFFAOYSA-N 315.398 3.739 0 40 DHAB Cc1ccc(O[C@H](C)c2nnc(S)o2)c(Br)c1 26469459 DORNWPXYOYQOQV-SSDOTTSWSA-N 315.192 3.569 0 40 DHAB CCN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1 32865435 YYYPDWSQZRMHOU-UHFFFAOYSA-N 318.423 3.512 0 40 DHAB CC(=O)c1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1 32915744 WKSTXIKYJJIOEA-UHFFFAOYSA-N 307.393 3.949 0 40 DHAB CCc1ccc(N2C(=O)C[C@H](Nc3ccc(C)cc3C)C2=O)cc1 36635568 WYOYNECEKXXREV-SFHVURJKSA-N 322.408 3.610 0 40 DHAB C[C@H](Sc1nccn1C)C(=O)C12CC3CC(CC(C3)C1)C2 36806348 DRMYRJDMQAKAEO-GVMDUPDNSA-N 304.459 3.686 0 40 DHAB Cc1noc(C)c1CNc1cccc(Cl)c1-n1cccn1 37774979 DHJRWKRRDAYSRV-UHFFFAOYSA-N 302.765 3.743 0 40 DHAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCCCC1 40086466 SXZKCKONWNQOKE-UHFFFAOYSA-N 323.440 3.903 0 40 DHAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1 40449152 MTFCVOVRLIBVAP-HZPDHXFCSA-N 304.434 3.612 0 40 DHAB CC(C)CNC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 48325068 FPTIYOPYADXLKX-UHFFFAOYSA-N 303.337 3.791 0 40 DHAB O=C(CSc1ccccc1O)Nc1ccc(Cl)cc1F 50046830 JESIRHAWUJTGTI-UHFFFAOYSA-N 311.765 3.916 0 40 DHAB O[C@@H](CN1CC=C(c2ccccc2)CC1)c1cc(F)ccc1F 51112422 CFXBCXHQUZQJHC-IBGZPJMESA-N 315.363 3.788 0 40 DHAB COc1c(C)cnc(CNC(=O)Nc2cccc(Cl)c2)c1C 51234732 GDEHELGFGFTFFM-UHFFFAOYSA-N 319.792 3.682 0 40 DHAB COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 53387782 IQILZYDMIWVWOO-AWEZNQCLSA-N 309.409 3.604 0 40 DHAB CCN(/C=C/c1nnnn1-c1ccc(-c2ccccc2)cc1)CC 55160811 FMFNYSPBLGSNFR-CCEZHUSRSA-N 319.412 3.642 0 40 DHAB C[C@H](c1ccncc1)N(C)C(=O)c1ccc(-n2cccc2)cc1 58282172 STXWRRQHVJAEPC-OAHLLOKOSA-N 305.381 3.706 0 40 DHAB CCc1c(C(=O)CN2CCCc3ccccc32)[nH]c(C)c1C(C)=O 58406567 HTYVMZZSJWYFAD-UHFFFAOYSA-N 324.424 3.724 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)CCc2ccc(F)cc2)c1 65700399 AGLGLLBCQBSFPN-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2cccc(C)c2)ccc1F 66489524 FWCRRZWCUYHZPT-UHFFFAOYSA-N 302.305 3.565 0 40 DHAB C[C@@H]([C@@H](C)NCc1csc(-c2cccs2)n1)n1cccn1 69442844 ZLGVPEIKEWLYQU-NEPJUHHUSA-N 318.471 3.807 0 40 DHAB Cc1ccc(-c2nc(CONC(=O)c3cccs3)cs2)o1 69818879 CZVCTXAQLQZKPU-UHFFFAOYSA-N 320.395 3.635 0 40 DHAB O=C(N[C@H]1CCC[C@H]1n1ccnc1)c1ccc2ccccc2c1 71843155 HZMOIRFFGTTYLX-ZWKOTPCHSA-N 305.381 3.560 0 40 DHAB Cc1ccc2oc(C(=O)NCC[C@H](O)C(C)(C)C)c(C)c2c1 72243161 JBUWSSCPFVXPIX-HNNXBMFYSA-N 303.402 3.577 0 40 DHAB C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccs1 75117470 RUGPNZZOBGSBBN-LBPRGKRZSA-N 324.405 3.594 0 40 DHAB O=C(Nc1nncs1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 78610982 XAJAVVYDZFGWAS-HTQZYQBOSA-N 314.197 3.587 0 40 DHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)NC(C)(C)CC(C)(C)C 84012349 UUVNLCAFAGBBAK-CMDGGOBGSA-N 311.857 3.726 0 40 DHAB CC(C)C[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccccn1 90542097 HRWWUTPLMCKERL-BPQIPLTHSA-N 320.502 3.813 0 40 DHAB Fc1ccc2c(C3CCN(CC4=CCCOC4)CC3)c[nH]c2c1 92668494 YMSLSWBOTKMMBN-UHFFFAOYSA-N 314.404 3.833 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccc(C)s1 96104665 CRRBSXLEWOHTNU-GDXASINISA-N 301.411 3.574 0 40 DHAB Cc1cccc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)n1 97378581 OFJJEPOKLFTCJV-ZDUSSCGKSA-N 322.368 3.928 0 40 DHAB Nc1c(C(=O)c2ccc3c(c2)CCCC3)sc2ncccc12 98063811 QRTXYKIDFQFNCQ-UHFFFAOYSA-N 308.406 3.988 0 40 DHAB CC1=C(C)C[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2C1 104807913 FPELEILKLKNCMW-OKILXGFUSA-N 303.789 3.884 0 40 DHAB CCn1cnnc1[C@@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 107495462 WJDABNWSGRIIQQ-UKRRQHHQSA-N 318.852 3.892 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1cccc(C)c1 222861863 VXMCSEXOAZXBNE-IBGZPJMESA-N 311.425 3.901 0 40 DHAB COc1ccc(C(=O)N2CCCc3ccccc32)cc1Cl 223220902 CNOLIGMAADAWPI-UHFFFAOYSA-N 301.773 3.942 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H](C)c1ccccc1 224616396 YCDLLOVYXHNXTI-PBHICJAKSA-N 315.388 3.903 0 40 DHAB Cc1cc(N)ccc1-c1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)o1 226301602 ZVJIJEWTGLDSKP-BETUJISGSA-N 312.413 3.955 0 40 DHAB CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)OC12CCCC2 39271 WDEOKBLMPZREDG-UHFFFAOYSA-N 313.184 3.804 0 40 DHAB CC(C)(C)c1cc(OC(=O)C2CC2)ccc1OC(=O)C1CC1 363932 WVCQKSDJMPBSAH-UHFFFAOYSA-N 302.370 3.615 0 40 DHAB Cc1cc(C)n(C(=O)c2c(-c3ccccc3Cl)noc2C)n1 375880 HKDYPTVUNBWZJS-UHFFFAOYSA-N 315.760 3.805 0 40 DHAB CC1(C)CC(=O)c2sc(NC(=O)Cc3cccs3)nc2C1 464486 AQSRFCASWNTRKK-UHFFFAOYSA-N 320.439 3.541 0 40 DHAB CSc1ncccc1C(=O)Nc1ccc2nc(C)sc2c1 2628725 AUTNCGWSAPIJOC-UHFFFAOYSA-N 315.423 3.974 0 40 DHAB COc1ccc(C)cc1NC(=O)CNc1ccc(Cl)cc1F 3406368 UFQMWHCMVNOCOU-UHFFFAOYSA-N 322.767 3.847 0 40 DHAB CCc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4163632 FTMQMHDYSINSGK-UHFFFAOYSA-N 306.365 3.860 0 40 DHAB COC(=O)[C@H]1C(=O)c2ccccc2[C@@H](C)[C@H]1c1ccccc1C 4743719 RJIJKMUULKLTHQ-JEBQAFNWSA-N 308.377 3.868 0 40 DHAB Cc1ccc(C)c(Cn2cnc3sc4c(c3c2=O)CCC4)c1 5319768 UICARYSVNXGURM-UHFFFAOYSA-N 310.422 3.612 0 40 DHAB CCc1ccccc1NC(=O)c1ccc(OC)c(OC)c1OC 5616413 OSGZFNBWHYOEMM-UHFFFAOYSA-N 315.369 3.527 0 40 DHAB Cc1ccc(Cc2cnc(NC(=O)c3cccnc3)s2)cc1 5698822 VVPFJORZBNMEHN-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccc1 6784919 FCOPCOHZETWKTQ-UHFFFAOYSA-N 309.388 3.918 0 40 DHAB CSc1ncc(Cl)c(C(=O)Oc2ccccc2Cl)n1 6810427 DVWLNZNIWMLWRA-UHFFFAOYSA-N 315.181 3.725 0 40 DHAB COc1ccccc1NC(=O)CN1CCC[C@H]1c1cccs1 8320512 XYFLBZZLTBROFI-AWEZNQCLSA-N 316.426 3.532 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)C3=COCCO3)cc2)cc1 8750405 CMNSAMPFXMPXEA-UHFFFAOYSA-N 311.337 3.614 0 40 DHAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)cc1OC 8816505 JWSIHEWTCURFRH-NFAYLAGKSA-N 316.397 3.626 0 40 DHAB Cc1ccc(C)c(OC(=O)CCc2ccc3c(c2)OCO3)c1C 10412890 JXOJZBYOEVZTOM-UHFFFAOYSA-N 312.365 3.879 0 40 DHAB Cc1cc(C)c2sc(NC(=O)/C=C\c3ccccc3)nc2n1 11666331 RFBJCGUASYFTLR-HJWRWDBZSA-N 309.394 3.960 0 40 DHAB Oc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1 12113764 BTFNTXQQGDTPCI-UHFFFAOYSA-N 322.393 3.776 0 40 DHAB O=c1c2sc3c(c2ncn1CCc1ccccc1)CCCC3 12391804 ZVDMSINDBQOPEU-UHFFFAOYSA-N 310.422 3.580 0 40 DHAB COc1ccc2cc(CNc3cccc(Cl)c3)c(=O)[nH]c2c1 12493344 SXHDHHCFRNOLPW-UHFFFAOYSA-N 314.772 3.802 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)N[C@H]1CCCC[C@@H]1C 12790904 PAYRGPZQBXTLPV-HOCLYGCPSA-N 304.434 3.594 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nn1cnc2ccccc21 12792521 KIKBSFSAXXLXGW-UHFFFAOYSA-N 317.348 3.582 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(NC(=O)C(C)C)c2)cc1 13014613 VJLNMLAZIFHVFL-UHFFFAOYSA-N 310.397 3.520 0 40 DHAB CCCCc1ncc(CN[C@@H](C)c2ccc(OC)c(F)c2)cn1 19502375 GJQDHAFXNLKQPA-ZDUSSCGKSA-N 317.408 3.818 0 40 DHAB Cc1cn2c(=O)cc(COc3ccc(Cl)cc3C)nc2s1 21368832 RYIJYEMRVPBEIT-UHFFFAOYSA-N 320.801 3.605 0 40 DHAB CCCCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 25346126 QFTIQHNYYZGRTG-NWDGAFQWSA-N 320.458 3.818 0 40 DHAB Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)n1 25775690 SDWOJCYFXDNUNG-KRWDZBQOSA-N 308.406 3.971 0 40 DHAB C[C@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C[C@H](C)O1 29736174 QLNWPLRLOMMCDI-STQMWFEESA-N 314.429 3.715 0 40 DHAB c1ccc(-n2ccnc2SCc2cn3ccccc3n2)cc1 31300651 UXUWOAQSBKUCKG-UHFFFAOYSA-N 306.394 3.812 0 40 DHAB C[C@H](Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1 32760985 VGGNRZCKXXYLPH-LBPRGKRZSA-N 309.394 3.749 0 40 DHAB Cc1ccc([C@H](NC(=O)NCC2CC2)c2cccs2)cc1 32795378 XANXMOOWLKEANJ-INIZCTEOSA-N 300.427 3.855 0 40 DHAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCCc2ccccc21 39987658 SCWOFVSQRXCXPZ-GFCCVEGCSA-N 315.804 3.515 0 40 DHAB Cc1cccc(C)c1NC(=O)c1ccc(Br)c(N)c1 40294990 BCBQSAAXSVGSAC-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB CC(=O)c1cccc(NC(=O)N2CCc3sccc3C2)c1 41639075 LDCMRVISDKDWSU-UHFFFAOYSA-N 300.383 3.541 0 40 DHAB CC(=O)Oc1ccc(C(=O)c2ccc(Br)cc2)cc1 43209926 IFRAFNJMZOSYKW-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1cccnc1 43786187 CEAIVUCGMXLIKS-SWLSCSKDSA-N 315.442 3.923 0 40 DHAB Cc1ccc([C@H](C)N(C)C(=O)c2cc(C)nc3onc(C)c23)cc1 45247916 XBEROSVPUVGMAE-AWEZNQCLSA-N 323.396 3.981 0 40 DHAB CCOCc1ccccc1NC(=O)N1CCc2sccc2C1 52468006 PYKJDCAWGULVKG-UHFFFAOYSA-N 316.426 3.875 0 40 DHAB COc1cc(C)ccc1N[C@H](C(=O)N1CCCC1)c1ccccc1 55155686 QVTLAFDEYBWGLB-IBGZPJMESA-N 324.424 3.779 0 40 DHAB O=C(CNc1ccc(C(F)(F)F)cc1)N1CCCCCC1 57364063 WVQXMAPKSVFVLC-UHFFFAOYSA-N 300.324 3.520 0 40 DHAB CN(C)Cc1ccc(CN(C)C(=O)Nc2ccccc2F)cc1 58178600 UYZFTFXIVWHOGP-UHFFFAOYSA-N 315.392 3.551 0 40 DHAB Cc1ncc(CN(C)C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)s1 64393737 DHMQWLBXUAJBEQ-GJZGRUSLSA-N 320.845 3.867 0 40 DHAB Cc1cccn(Cc2coc(-c3cccc(Cl)c3)n2)c1=O 65531646 NEYOCZZLFQRSDM-UHFFFAOYSA-N 300.745 3.513 0 40 DHAB COc1cccc(CNc2cc(F)c(F)cc2NC(C)=O)c1 65625311 HAPAIHPJDZXKSH-UHFFFAOYSA-N 306.312 3.544 0 40 DHAB CC(C)(C)n1cc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 65922449 RZLSQUSBKCYRSZ-RYUDHWBXSA-N 317.355 3.945 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)CSCc1cccc(F)c1F 69535775 SNXNKNMYUDBCTF-FZMZJTMJSA-N 313.413 3.893 0 40 DHAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccccc1 71282860 SSGCYIBTLDSODE-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccccc1C(F)(F)F 71824497 ZGKAJJFQPXKEPR-XHDPSFHLSA-N 322.330 3.583 0 40 DHAB Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCC3)s2)cc1 72271624 ZIQJUEWTUSOGIN-ZDUSSCGKSA-N 315.442 3.903 0 40 DHAB CO[C@]1(C)C[C@H](N(C)Cc2nc3ccccc3s2)C1(C)C 72305311 HSTRWGMSSPVTFH-WMLDXEAASA-N 304.459 3.932 0 40 DHAB N=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 75149080 UVAOXTRNBJLQQE-AWEZNQCLSA-N 316.813 3.966 0 40 DHAB Cc1ccc(C)c2c(C)c(C(=O)N3CC(c4cccnc4)C3)[nH]c12 91563399 PPFVDNKELMXCSY-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB C[C@@H](NCCc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 95419226 OHRUTGSIIFNKHU-CQSZACIVSA-N 308.425 3.810 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c(C)c1 95463205 ZDLUPHMYEUONRS-KRWDZBQOSA-N 310.441 3.554 0 40 DHAB CC(C)N(CCC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 95939584 FENJKNTYBZFLOD-UHFFFAOYSA-N 321.417 3.765 0 40 DHAB CCc1cnc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)o1 96441390 HHONRKGJELIUJH-QGZVFWFLSA-N 318.392 3.557 0 40 DHAB CC(C)C(=O)/N=c1\sc2cc(Cl)cc(Cl)c2n1C 100908950 FSUVAFTXRKKISE-QINSGFPZSA-N 303.214 3.630 0 40 DHAB Brc1ccc(N/N=C2/C=Nc3ccccc32)cc1 101079696 LIKGLKUGHFTJNN-JXAWBTAJSA-N 300.159 3.981 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2c3ccccc3C[C@@H]2C)c1 102321338 KYHCRSMOBUCKOW-UONOGXRCSA-N 322.408 3.667 0 40 DHAB C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ncc(C(C)(C)C)o1 126241208 RZCQEZAYLNHHAB-SECBINFHSA-N 316.327 3.904 0 40 DHAB CCNc1ccc(Cl)cc1C(=O)N(C)Cc1c(C)noc1C 192047174 JWNDVYOUKSZKJT-UHFFFAOYSA-N 321.808 3.649 0 40 DHAB S=C(NCc1ccccc1Cl)Nc1ccc(Cl)cn1 223932164 ALDJPUFDZWMCIE-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C1CCCC1 224846540 HJZCAUADQVGRJM-UHFFFAOYSA-N 319.792 3.539 0 40 DHAB CC(C)Oc1cccc(NC(=S)NCc2ccccc2)c1 225280023 OUHXOYIJDVJLJS-UHFFFAOYSA-N 300.427 3.960 0 40 DHAB CCOc1cccc(CNC(=S)Nc2cccc(F)c2)c1 225439212 LWUMIEOPKOEICF-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)c1 225597000 YDXJJKRCISKSBM-AWEZNQCLSA-N 321.417 3.790 0 40 DHAB COc1cc(CO)cc(CSC)c1OCc1ccc(C)cc1 226288384 FTQAHDUUSGNRFV-UHFFFAOYSA-N 318.438 3.938 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@@H](O)CNC1CCCCC1)C2 230118921 SFEWGPJTCPCSHS-RMRDIRSESA-N 309.494 3.501 0 40 DHAB CCc1ccc(NC(=O)c2cn(CC)c3ccccc3c2=O)cc1 408713016 GNZKGYDEFYYQAF-UHFFFAOYSA-N 320.392 3.836 0 40 DHAB CN(C(=S)Nc1ccc2nsnc2c1)c1ccccc1 408999115 WJOVVJMYDWVXII-UHFFFAOYSA-N 300.412 3.525 0 40 DHAB CC(C)(C)OC(=O)n1ccc2cccc(C3(C(=O)O)CC3)c21 575629448 XPVYSDCONCDENP-UHFFFAOYSA-N 301.342 3.541 0 40 DHAB O=C(COc1ccccc1)OCC(=O)c1cccc2ccccc12 384565 ZYHYENYVCFEVED-UHFFFAOYSA-N 320.344 3.645 0 40 DHAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc(F)cc1 1011150 GDBACZPJITYCAX-MDWZMJQESA-N 303.314 3.655 0 40 DHAB CCCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 2601768 LFCGCMODMJQZQQ-UHFFFAOYSA-N 315.461 3.931 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)NCc1cccs1 2630134 NAEGEMPQIUODFU-UHFFFAOYSA-N 316.209 3.750 0 40 DHAB COc1cc(C)c(NC(=S)NC2CCCCC2)cc1OC 3291509 OKCKVXFRZXOTLZ-UHFFFAOYSA-N 308.447 3.631 0 40 DHAB CCCOc1ccc(C(=O)NCc2ccccc2F)cc1OC 3333488 NNRXSFYLSAIANX-UHFFFAOYSA-N 317.360 3.553 0 40 DHAB COc1cc(SC)ccc1C(=O)OCc1ccc(F)cc1 3341387 XHNOWOFZGFVEDK-UHFFFAOYSA-N 306.358 3.913 0 40 DHAB COc1cc2c(cc1NC(=O)CN1CCCC1)oc1ccccc12 3405377 ODNPPCBIEDEAIC-UHFFFAOYSA-N 324.380 3.629 0 40 DHAB C[C@H](Sc1ccccc1F)C(=O)Nc1ccc2c(c1)OCO2 3473456 JBBJEDMSEJANOY-JTQLQIEISA-N 319.357 3.674 0 40 DHAB O=C(CSc1ccc(F)cc1)NCc1ccccc1Cl 3598206 JEOCNANELXSOJK-UHFFFAOYSA-N 309.793 3.888 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 3607835 OVLAGHLWHXKDSN-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB O[C@@H](CNC1CCCC1)COCCC12CC3CC(CC(C3)C1)C2 4320492 SCYMQUHOVOMRRN-DRZUXFPHSA-N 321.505 3.503 0 40 DHAB Cc1cc(C)c(C(=O)COC(=O)c2n[nH]c3ccccc23)cc1C 4822815 XEMNDBKMTLPGCK-UHFFFAOYSA-N 322.364 3.528 0 40 DHAB O=C(NCc1ccco1)c1cccnc1Sc1ccccc1 6860201 MYVMLXSPCSULQE-UHFFFAOYSA-N 310.378 3.756 0 40 DHAB CCOc1ccccc1NC(=O)Cn1c(C)cc2ccccc21 6936089 XNNANLKDHMYCDD-UHFFFAOYSA-N 308.381 3.987 0 40 DHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCCCCC1 6942274 KNDGHVBRWYCCBY-UHFFFAOYSA-N 303.793 3.746 0 40 DHAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccccc1F 7056490 QCOYAKLQMHGXCO-UHFFFAOYSA-N 307.390 3.924 0 40 DHAB CCCc1nnc(CSc2nc(-c3ccc(C)cc3)no2)o1 7604698 WZSKALLCKHUEIZ-UHFFFAOYSA-N 316.386 3.673 0 40 DHAB CC(=O)NCCc1ccc(-c2csc(NC(C)(C)C)n2)cc1 8156933 JJJWUQCXDIZVJX-UHFFFAOYSA-N 317.458 3.699 0 40 DHAB CC1(C)COc2ccc(NC(=O)C3CCCCC3)cc2NC1=O 8959853 YGGDADJJXYXOSV-UHFFFAOYSA-N 316.401 3.563 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1ccccc1CC 9070882 WLKKIGVMGMHVEP-UHFFFAOYSA-N 315.417 3.897 0 40 DHAB COc1ccccc1CCC(=O)Nc1ccccc1SC 9454483 TYPGYHFGFXWGQT-UHFFFAOYSA-N 301.411 3.988 0 40 DHAB CC[C@@H](Oc1ccc(SC)cc1)C(=O)Nc1cc(C)on1 9496886 ZCENRVCZCLWKMQ-CYBMUJFWSA-N 306.387 3.501 0 40 DHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1F 11008359 KAWPRZJDLQMJEM-LBPRGKRZSA-N 302.349 3.674 0 40 DHAB Cn1/c(=N\C(=O)c2ccccc2Cl)sc2cc(F)ccc21 11852994 PECOXIXIFRWEIE-OBGWFSINSA-N 320.776 3.773 0 40 DHAB CCCOc1cccc(C(=O)Nc2onc3c2CCCC3)c1 11914327 QZZMHNPKXBNTMN-UHFFFAOYSA-N 300.358 3.595 0 40 DHAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(Cl)cc1 12901630 HTPISJLCZDRMLO-UHFFFAOYSA-N 322.817 3.550 0 40 DHAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc2C1 13709671 QBLCLNDWJTVJIE-ZDUSSCGKSA-N 315.800 3.692 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CCc1cc(Cl)no1 13944168 JUSRKAWWIFVNRN-UHFFFAOYSA-N 315.156 3.561 0 40 DHAB CC(C)Nc1nnc(Sc2ncnc3ccsc23)s1 14136878 RFXWYKYLIILEIK-UHFFFAOYSA-N 309.445 3.514 0 40 DHAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)n[nH]2)cc1 14260014 UPGRPQSKAIMGCL-UHFFFAOYSA-N 303.365 3.588 0 40 DHAB O=c1c2ccccc2[nH]c(=S)n1-c1cccc2c1CCCC2 15251918 PTQUFGTYUMAFHM-UHFFFAOYSA-N 308.406 3.927 0 40 DHAB CCCCCS[C@@H]1CS(=O)(=O)C[C@H]1SCCCCC 16037476 SOBODQNMRFOUGE-ZIAGYGMSSA-N 324.577 3.999 0 40 DHAB Cc1nnsc1C(=O)Nc1ccc(SC(F)(F)F)cc1 16778811 MYUKYDRBXIXIHQ-UHFFFAOYSA-N 319.333 3.711 0 40 DHAB C[P@](=O)(Nc1ccc(F)cc1)c1nc2c(s1)CCCC2 16807310 QYSYQJWWFWMSIS-LJQANCHMSA-N 310.334 3.806 0 40 DHAB CC[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 16966062 PKIGLSASABEWTA-GOSISDBHSA-N 322.408 3.711 0 40 DHAB Cc1ccccc1Cc1c(O)nc2nc3ccccc3n2c1C 18202690 IMKINPRHTPQIGL-UHFFFAOYSA-N 303.365 3.796 0 40 DHAB COc1ccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1OC 22006510 TYNWQENQKZPLPV-BBRMVZONSA-N 303.402 3.881 0 40 DHAB COc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1 22533237 KCDNLTVDZPLSMG-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 22882762 ILHAGPROTUENFE-NWDGAFQWSA-N 315.335 3.936 0 40 DHAB Cc1cccc2nc(C(=O)N3CCC[C@@H]3c3ccccc3)cn12 23008923 LQWQQSFMUKVRDB-QGZVFWFLSA-N 305.381 3.620 0 40 DHAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2s1 25009351 PJLHZMWSRULMRR-UHFFFAOYSA-N 320.377 3.734 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2ccccc2)N2CCCC2)cc1 27793177 DORSJNADSFCFJJ-IBGZPJMESA-N 308.425 3.562 0 40 DHAB CN(C)c1ccc(NC(=O)CCCSc2ccccc2)cn1 30108256 VPQBTETWNZIOFN-UHFFFAOYSA-N 315.442 3.659 0 40 DHAB O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccccc1 32478436 ZOSWMHPVWUBRAV-UHFFFAOYSA-N 307.353 3.698 0 40 DHAB CCn1nc(C)cc1NC(=O)Nc1cc(Cl)ccc1OC 32609970 WGFKJRNJEKBLMX-UHFFFAOYSA-N 308.769 3.517 0 40 DHAB CC(=O)c1cccc(NC(=O)c2snnc2-c2ccccc2)c1 36357626 LQOJEFNZAHTOHU-UHFFFAOYSA-N 323.377 3.660 0 40 DHAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1ccccc1 36422016 CGEOFWHXLKBSHX-UHFFFAOYSA-N 300.301 3.679 0 40 DHAB CC[C@@H](C)Nc1nc(-c2cnn(CC)c2C)cc(C(F)F)n1 36613751 OFOCEXUHDOPSIP-SECBINFHSA-N 309.364 3.816 0 40 DHAB COc1ccc([C@@H](O)c2ccccc2Br)cc1C 40262428 IKAOJWJPBFMGMS-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB CCOC(=O)c1cnc2c(CC)cccc2c1Br 47913093 QJAPTAUJFDOMRY-UHFFFAOYSA-N 308.175 3.736 0 40 DHAB C[C@H](NC(=O)CCCOc1ccccc1Cl)c1ccncc1 50551678 ACLTXAJAJJMHCX-ZDUSSCGKSA-N 318.804 3.771 0 40 DHAB CCCNC(=O)[C@@H](C)SCc1ccc(Br)cc1 58955493 OOOUMUABKFSLKO-SNVBAGLBSA-N 316.264 3.597 0 40 DHAB O=C(Nc1ccc(CCO)cc1)c1cc2c(s1)CCCCC2 60528897 NCZUXWLUBYUENZ-UHFFFAOYSA-N 315.438 3.804 0 40 DHAB CNC(=O)c1sc2cc(Br)ccc2c1Cl 69776491 KCANKIFZXLGRPH-UHFFFAOYSA-N 304.596 3.677 0 40 DHAB C[C@H](CC[C@H]1CCCO1)NC(=O)C[C@@H](C)c1cccc(F)c1 71909369 BOWSPBAZGSWPON-CKEIUWERSA-N 307.409 3.783 0 40 DHAB CCO[C@H](C)c1nc(CC(=O)OC[C@@H]2CC=CCC2)cs1 71910044 ORNKNGHWVQPNGO-CHWSQXEVSA-N 309.431 3.683 0 40 DHAB CN(C)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1N 72229193 DXRVVFNOJDEUPL-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB CC(C)Cn1ncc(-c2nc(-c3ccncc3)no2)c1C(F)F 95443073 WJUQJZVXQKAKJE-UHFFFAOYSA-N 319.315 3.589 0 40 DHAB Brc1cncc(N2CCC[C@@H](c3nccs3)C2)c1 95994691 MLZZSTZXHQOEOE-SNVBAGLBSA-N 324.247 3.685 0 40 DHAB CC[C@](CNC(=O)c1cc2ccccc2[nH]1)(OC)c1ccccc1 96391588 DOAZKNPYEGYOSQ-HXUWFJFHSA-N 322.408 3.850 0 40 DHAB COc1c(Cl)cccc1NC(=O)N1CC[C@H](CSC)C1 96418009 JDDLYAPVTXNVES-JTQLQIEISA-N 314.838 3.565 0 40 DHAB CSc1ccc(NC(=O)NCc2cccnc2)cc1Cl 96447279 GFFPJIDEMHFNSJ-UHFFFAOYSA-N 307.806 3.779 0 40 DHAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1ccc2ccccc2c1 100564942 WBIAYYHZLRKPOM-CVEARBPZSA-N 311.768 3.862 0 40 DHAB Cn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2ccccc21 100811263 AJMFTPXHITWYTH-ICFOKQHNSA-N 302.786 3.634 0 40 DHAB CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cccc(F)c21 100909196 OUMFXLGTXBHSLO-MNDPQUGUSA-N 318.348 3.742 0 40 DHAB CC1(C)CC2=Nc3nonc3N[C@H]([C@H]3CC=CCC3)C2=C(O)C1 102749708 MWHXXHXFNHBNND-IINYFYTJSA-N 314.389 3.925 0 40 DHAB CC(=O)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 107323544 QJGMSJQMTNSQOO-MDOVXXIYSA-N 310.441 3.747 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 113942764 FYGRRMJCWXSLRE-KGLIPLIRSA-N 301.361 3.779 0 40 DHAB O=C(NCCSCc1ccc(Cl)cc1Cl)C1CC1 182418596 YKJCXQKKCZFCMI-UHFFFAOYSA-N 304.242 3.753 0 40 DHAB CC(C)SCc1cccc(NC(=O)NC[C@@H]2CC[C@@H](O)C2)c1 195578937 ARJZLJJQDJXTPN-CZUORRHYSA-N 322.474 3.611 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSC1CCCC1 223752624 CGUVWUIMPUPMBG-KRWDZBQOSA-N 321.486 3.944 0 40 DHAB COc1ccc(O[C@@H](Cc2cc(Cl)ccc2C)C(=O)O)cc1 225077716 ZZYYHQMUKSBNKB-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)C(C)(C)C)cc1 226285224 AIGMGGPKAVDPGL-UHFFFAOYSA-N 316.323 3.586 0 40 DHAB C[C@H]1CCCCN1C(=O)CCCn1cc(-c2ccccc2)cn1 227165138 VGMVRVHVHMBFBB-INIZCTEOSA-N 311.429 3.731 0 40 DHAB C[C@H]1C[C@@](C)(NC(=O)c2ccccc2)[C@@H]2CC[C@@H](C)C[C@H]2O1 257222811 DUTVGLPLJHRMDT-UGEIDEBPSA-N 301.430 3.789 0 40 DHAB CCC[C@@H](C)NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 408713296 RTSBVFLZNNXBSZ-LLVKDONJSA-N 320.820 3.593 0 40 DHAB Clc1ccc2ncc(-c3cc(C4CCNCC4)ccn3)n2c1 2037838351 FPDUIFLCPYRWTP-UHFFFAOYSA-N 312.804 3.517 0 40 DHAB CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 49659 CYCUIDLXUGCHBL-UHFFFAOYSA-N 323.270 3.883 0 40 DHAB CSc1nsc(SC)c1NC(=O)N1CCCCC1 51104 QWAFVHFMMUSVQY-UHFFFAOYSA-N 303.478 3.605 0 40 DHAB COc1ccc([C@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 228787 RJYHUHMMBLCXKJ-HLULTAIVSA-N 302.414 3.594 0 40 DHAB Cc1cc(Br)ccc1NC(=O)Cc1ccccc1 514205 ARNPTJUHQAEFGG-UHFFFAOYSA-N 304.187 3.939 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1COc2ccccc2O1 528774 NPERYUIRWARMQJ-CQSZACIVSA-N 324.163 3.772 0 40 DHAB CC(=O)c1c(O)cc2c3c1OC(C)(C)[C@@H]1CC[C@@](C)(C[C@H]31)O2 1560719 AHFQKUOGPHVZLT-PISHQANHSA-N 302.370 3.801 0 40 DHAB biogenic O=C(OCc1ccc2c(c1)OCO2)c1cccc2ccccc12 1614644 WAQRGXFNOVQNMA-UHFFFAOYSA-N 306.317 3.926 0 40 DHAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc1OC 3202919 XNVRPTPTYPCUAB-MARXPDLDSA-N 323.392 3.695 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 3388369 AOTQHCUPPXBHKX-UHFFFAOYSA-N 319.360 3.944 0 40 DHAB CNC(=S)NCC[C@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 3765656 PALXKTBPCHKKQT-XJKSGUPXSA-N 315.486 3.700 0 40 DHAB O=C(c1ccco1)N1CCN=C1SCc1ccccc1Cl 4120287 VKADVNQPILSEDF-UHFFFAOYSA-N 320.801 3.678 0 40 DHAB c1nc2c3c4c(sc3nc(NC3CCCCC3)n2n1)CCC4 5575520 JDQZIPXJYFJJRV-UHFFFAOYSA-N 313.430 3.572 0 40 DHAB O=C(NCc1ccc(F)cc1)c1c2c(nc3ccccc13)CCC2 6052387 XHDWQTQPENHUCR-UHFFFAOYSA-N 320.367 3.793 0 40 DHAB COc1ccccc1CNC(=S)Nc1ccc(Cl)cc1 6849156 WTTVIUIEQRXPNA-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB COc1ccccc1CNC(=O)COc1ccccc1C(C)C 6933747 HMIMSWNGHCIJQP-UHFFFAOYSA-N 313.397 3.514 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1C 7756821 OAOZSFSUSBZGKS-LJQANCHMSA-N 320.392 3.898 0 40 DHAB CC(=O)c1cc(CCC(=O)Nc2cc(F)ccc2C)oc1C 8924822 IESNRWWEPLAVHN-UHFFFAOYSA-N 303.333 3.809 0 40 DHAB CCCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC 8958853 FAGVANSQLFCGDE-UHFFFAOYSA-N 318.417 3.587 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2onc3c2CCCC3)c1 11915001 HLEOREXGSYMSKU-ZDUSSCGKSA-N 314.385 3.576 0 40 DHAB C[C@H](Sc1ccc(N)cc1)C(=O)N1c2ccccc2C[C@@H]1C 13578895 HCDLLEKERCBFKF-STQMWFEESA-N 312.438 3.727 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)NCCc2ccsc2)c1C 13725181 VGPKUMJPMMBRNB-UHFFFAOYSA-N 323.483 3.503 0 40 DHAB O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccccc1 14808974 OPORTZAGXXDZJJ-UHFFFAOYSA-N 322.452 3.514 0 40 DHAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(C)cc3)cc21 17247796 JMGJWNXCFNDYOR-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB CCCCSc1ccccc1C(=O)N1C[C@H](C)O[C@H](C)C1 17946014 AVOYJRKSQUCXIX-OKILXGFUSA-N 307.459 3.828 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 20042017 TXKBEPJYRUYOSO-ZDUSSCGKSA-N 323.845 3.829 0 40 DHAB COc1ccc2c(ccn2CC(=O)N[C@H](C)CCCC(C)C)c1 20761630 ZVEUYBGDMMBBJZ-OAHLLOKOSA-N 316.445 3.981 0 40 DHAB biogenic O=C(OC/C=C/c1ccccc1)c1cncn1-c1ccc(F)cc1 21510022 KHOULFVRHDELOV-QPJJXVBHSA-N 322.339 3.882 0 40 DHAB O[C@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 25052442 WSZJDFJBFXFUQG-CQSZACIVSA-N 306.287 3.789 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCc2ccccc2C1 25798425 MCLUUZRIROTJCL-RHSMWYFYSA-N 306.409 3.844 0 40 DHAB O=C(NCCC1=CCCCC1)c1cccc(Nc2ncccn2)c1 28095535 WTAJKYCMIOERQG-UHFFFAOYSA-N 322.412 3.841 0 40 DHAB CCOCc1ccc(CNC(=O)NCc2ccc(C)cc2)cc1 28994012 BQWRXCZWRYAWQS-UHFFFAOYSA-N 312.413 3.531 0 40 DHAB c1ccc([C@H](CN2CCCC2)Nc2ncnc3ccccc23)cc1 32770055 YWVKDFGHMVMCNL-IBGZPJMESA-N 318.424 3.879 0 40 DHAB CCc1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 32833299 OABGRPRCWGPCMT-QGZVFWFLSA-N 312.344 3.520 0 40 DHAB CC(=O)c1cccc(N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 40005411 RPQBOKGMJFXCFG-CABCVRRESA-N 324.424 3.610 0 40 DHAB CCOc1ccc([C@H](O)c2ccc(Br)cc2)cc1 40243361 FKRMRASOLCHADC-OAHLLOKOSA-N 307.187 3.930 0 40 DHAB COc1ccc(OC)c([C@@H](O)c2ccc(Br)cc2)c1 40244673 OGGSKGYYVONKEJ-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1Cl 41091867 CJHRRQYVKVTQSC-QMTHXVAHSA-N 301.839 3.505 0 40 DHAB COc1ccccc1[C@@H](C)N(C)Cc1noc(C(C)(C)C)n1 47886005 UFLZRBHSPSYGRB-GFCCVEGCSA-N 303.406 3.569 0 40 DHAB C[C@H](Nc1ccc2ccccc2n1)c1ccc2c(c1)NC(=O)CO2 69153682 JEOQLVCQSPRPGB-LBPRGKRZSA-N 319.364 3.739 0 40 DHAB CC[C@@H](OC)C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 71839129 RVJFSNHRQCPEGV-UONOGXRCSA-N 318.442 3.775 0 40 DHAB O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](C(F)(F)F)C1 71841985 AAOIECSLKOYJDM-GFCCVEGCSA-N 324.302 3.756 0 40 DHAB Cc1csc(C2(NC(=O)c3cc(C)oc3C)CCCC2)n1 71902970 KFCFICXRJKQZJL-UHFFFAOYSA-N 304.415 3.861 0 40 DHAB Cc1cc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c(C)s1 72299394 FDXJRPLDYYTBMC-ZDUSSCGKSA-N 319.430 3.849 0 40 DHAB O=C(N[C@H]1CCc2ccccc21)c1cn[nH]c1-c1cccs1 72329480 CYSSRIBUEWPUGN-AWEZNQCLSA-N 309.394 3.556 0 40 DHAB CC[C@@H](NC(=O)NCc1csc(C(C)C)n1)c1nccs1 76018535 XDNJDYKKRGHRQI-LLVKDONJSA-N 324.475 3.674 0 40 DHAB O=C(Nc1cccc(-c2nc[nH]n2)c1)C12CC3CC(CC(C3)C1)C2 78713978 KGNGSINYHVDQRZ-UHFFFAOYSA-N 322.412 3.627 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80345121 NSDAPNSMXMCRHH-HUUCEWRRSA-N 309.365 3.508 0 40 DHAB Cc1nc(N2CCOCC2)c2scc(-c3ccccc3)c2n1 82237996 KRNVNVMJIFQAJM-UHFFFAOYSA-N 311.410 3.503 0 40 DHAB CC(C)(C)OC(=O)N1CCC(c2c[nH]c3cccnc23)CC1 82238048 PBBFPFMDWOUAOI-UHFFFAOYSA-N 301.390 3.677 0 40 DHAB O=C(c1ccc(O)cc1)C1CCN(c2nc3ccccc3o2)CC1 84600407 LTAPTBRZHCPRHU-UHFFFAOYSA-N 322.364 3.633 0 40 DHAB COc1cc(CN(C(=O)c2ccccc2C)C2CC2)ccc1O 89689104 GECPJOAWKYPHLK-UHFFFAOYSA-N 311.381 3.514 0 40 DHAB CC[C@@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918475 VVWQPFVWDXZMGC-NSHDSACASA-N 307.337 3.944 0 40 DHAB CC(C)(C(=O)O)c1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 95965563 ZCLGMWWZDTWVJM-UHFFFAOYSA-N 322.364 3.782 0 40 DHAB CSC[C@H]1CCN(C(=O)Nc2cccc(COC(C)C)c2)C1 96418020 LJPYRGUMTUSYBU-HNNXBMFYSA-N 322.474 3.828 0 40 DHAB CC(=O)c1ccc(N(C)C)cc1OCc1ncoc1C(C)C 97114900 NXYTZPTTYPDCBQ-UHFFFAOYSA-N 302.374 3.646 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@H]1C[C@H]2C=C[C@H]1C2 100699873 UZWVNYWWHCIFCW-OKZBNKHCSA-N 307.441 3.791 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1 113945612 LTUIMGSVNTYBHS-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 113968858 WXNNDZUVFXBEQZ-KSSFIOAISA-N 313.397 3.730 0 40 DHAB O=C(Nc1ccc(F)nc1)c1ccc(-c2ccc(F)cc2)o1 135080979 SLHUDZDAFJRUIS-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB COc1nc(Nc2cc(C)cc(C)c2)ncc1Br 143604762 UDGZHZHDUKWLEQ-UHFFFAOYSA-N 308.179 3.608 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCOc2ccc(C)cc2C)cc1 223450041 ZBBPKQYHCTZVON-PKNBQFBNSA-N 309.409 3.820 0 40 DHAB CCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1Cl 225726085 PDJGIUUKGDKNKA-MRXNPFEDSA-N 311.809 3.882 0 40 DHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225882718 AAVFEPGEHXSAMH-GOSISDBHSA-N 316.401 3.776 0 40 DHAB CCCCOc1ccccc1C(=O)OCC(=O)c1ccccc1 408587629 SOTWYKTUYLIGRH-UHFFFAOYSA-N 312.365 3.905 0 40 DHAB O=C1CCCN1CCc1ncc(Cc2ccccc2Cl)s1 585138221 WQIRFCKKNFYKRQ-UHFFFAOYSA-N 320.845 3.552 0 40 DHAB CCOc1ccc(CC(=O)NCC(C)(C)c2ccsc2)cc1 1565519181 CNDOFEPRTJFBFN-UHFFFAOYSA-N 317.454 3.783 0 40 DHAB Cc1ccc2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OCCCO3)O2 64420 JUDIGUQMCYJMTH-SFHVURJKSA-N 310.349 3.863 0 40 DHAB biogenic CC[C@H]1C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(F)cc1 89813 GXIPECVEQGBITQ-HUUCEWRRSA-N 304.361 3.969 0 40 DHAB CCO[P@](=O)(c1ccccc1Cl)C1(O)CCCCC1 523441 ZTVTWWKZQAFXIE-LJQANCHMSA-N 302.738 3.933 0 40 DHAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 550055 JRXLQXBXUQNXDW-HXUWFJFHSA-N 317.392 3.876 0 40 DHAB COc1ccccc1-n1c(S)nnc1-c1ccccc1Cl 552051 FNNBGKAVHGETFY-UHFFFAOYSA-N 317.801 3.885 0 40 DHAB CC(C)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1321102 FMKJWIPSBBVSJB-NSHDSACASA-N 319.474 3.660 0 40 DHAB COc1ccc(-c2nc3ccccc3s2)c(OC)c1OC 2172265 CGZOIGXLPLCUSD-UHFFFAOYSA-N 301.367 3.989 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(C)c1C 3096074 ALZFYDPCRMEVIN-OAHLLOKOSA-N 304.434 3.575 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(Cl)cc2Cl)C1 3100474 SAYTUDPIINRNJW-QWRGUYRKSA-N 316.228 3.877 0 40 DHAB Cc1cccc(NC(=O)CSc2ncnc3ccccc23)c1 3244050 PDLMOUNLYAYFFO-UHFFFAOYSA-N 309.394 3.669 0 40 DHAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Cl)cc1F 3458886 RHKCHOONDQXLRB-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB Cc1cccc(-c2nc(-c3cc4cccc(C)c4[nH]c3=O)no2)c1 5162668 JAEATXQTDBJJEM-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1CN1CCCC[C@@H]1C 6267811 BMQMLQFXJOOBME-BLLLJJGKSA-N 319.836 3.553 0 40 DHAB COc1cccc(-c2nnc(S)n2-c2ccc(Cl)cc2)c1 6476493 HQWZBJHWJPAXCS-UHFFFAOYSA-N 317.801 3.885 0 40 DHAB Cc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 6522555 PEGKLTMHXRUSDS-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB Fc1ccc(C2=Nc3ccccc3C(c3cccnc3)=NN2)cc1 6534224 GFOIDESUUCMQCC-UHFFFAOYSA-N 316.339 3.655 0 40 DHAB Cc1cccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c1 6811308 BYAMPNMNKWNWBV-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(F)cc(F)c1 6978446 MONOEKBZDOJLFR-SFHVURJKSA-N 324.330 3.879 0 40 DHAB Cc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 7141423 BYLDCRXTCXWEBJ-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2ccccc2)c1 8062591 OFVDPLOIUVZGJY-BRADTZPFSA-N 311.381 3.594 0 40 DHAB CC(=O)c1cccc(NC(=O)CCc2nc3ccc(C)cc3[nH]2)c1 8744045 NWCNYMQZTQMTFJ-UHFFFAOYSA-N 321.380 3.645 0 40 DHAB CC(C)CCN1C(=O)CCc2cc(NC(=O)C(C)(C)C)ccc21 9164718 ZFNJABOSKPPPKF-UHFFFAOYSA-N 316.445 3.997 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1C 9337706 JGWVVYKKSDMFPF-JTQLQIEISA-N 318.804 3.979 0 40 DHAB COc1cccc(/N=c2\scc(C)n2Cc2cccnc2)c1 9682879 NPMBNLLDGBHMDX-ZPHPHTNESA-N 311.410 3.542 0 40 DHAB C[C@@H](Sc1ccccn1)C(=O)NC12CC3CC(CC(C3)C1)C2 9967715 REXBCRQZKAOZLF-QLFDAEIZSA-N 316.470 3.647 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 10110349 FVDWFMLWPUYADL-CQSZACIVSA-N 317.816 3.856 0 40 DHAB Cc1ccnc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 10430627 VKFRICNPUQQCJV-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB O=C(CCn1cnc2ccccc21)Nc1ccc(Cl)cc1F 12628394 ZUANEZYUTPKNNZ-UHFFFAOYSA-N 317.751 3.858 0 40 DHAB CCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1 13169934 RVNLFWYVXJGHBZ-UHFFFAOYSA-N 313.353 3.734 0 40 DHAB Cc1ccc2cc(CNCc3ccccc3Cl)c(=O)[nH]c2c1 13999219 LJJDXIPJLBQTQV-UHFFFAOYSA-N 312.800 3.780 0 40 DHAB c1csc(-c2cc(COc3ccc4c(c3)OCO4)no2)c1 14216250 UVFYNVPBQJNILS-UHFFFAOYSA-N 301.323 3.711 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(C)nc2c1 22131547 IOXMRPRPTOVBAG-INIZCTEOSA-N 310.353 3.932 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1cccs1 23105584 AYBYRDRQKHPDPC-KRWDZBQOSA-N 324.449 3.934 0 40 DHAB Cc1cc(C)cc(C(=O)NCC2CCN(C3CCCC3)CC2)c1 23127963 LEFZYRVBSQZIBJ-UHFFFAOYSA-N 314.473 3.688 0 40 DHAB Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 26422195 VFIVKNOIKFWIIX-UHFFFAOYSA-N 309.394 3.994 0 40 DHAB CN(CCCc1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1 27290721 IFQFOMZZASBCDB-UHFFFAOYSA-N 322.452 3.643 0 40 DHAB CCOc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 28236848 LFSDSNMYQMYKSA-LJQANCHMSA-N 324.424 3.688 0 40 DHAB CC(=O)Nc1ccc(/C=C/C(=O)N(C)CC2CCCCC2)cc1 29291472 FABYUEBTDCISJG-JLHYYAGUSA-N 314.429 3.697 0 40 DHAB Cc1ccc(CC(=O)Nc2cccc(Oc3cnccn3)c2)cc1 32817531 BRBPUVKBPCMDJW-UHFFFAOYSA-N 319.364 3.759 0 40 DHAB CC(C)c1noc2ncc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc12 33100820 KFLMAZSDZSWOAN-JSGCOSHPSA-N 315.417 3.997 0 40 DHAB C[C@@H](C(=O)O)c1ccc(Sc2ccccc2)c(CC(=O)O)c1 34006852 HCKQCCUGCHJSOS-LLVKDONJSA-N 316.378 3.653 0 40 DHAB CCOc1ccccc1NC(=O)N(C)Cc1cccc(F)c1 40098782 HIZPFYNHXYOWSU-UHFFFAOYSA-N 302.349 3.888 0 40 DHAB O=C(O)c1cc(C2CC2)nc2c(Br)cc(F)cc12 41655312 LMTCLQHEXGMRDC-UHFFFAOYSA-N 310.122 3.712 0 40 DHAB CC(=O)c1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1 42754639 FVYOSRVIFOYFTP-INIZCTEOSA-N 310.353 3.535 0 40 DHAB CCOC(=O)CCCCC(=O)c1ccc(N(CC)CC)cc1 43214361 MILRNVISUCJTTE-UHFFFAOYSA-N 305.418 3.839 0 40 DHAB CCCNC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 45740840 MFBZLZGHCNQXKU-CZUORRHYSA-N 317.433 3.527 0 40 DHAB CNc1cc(C(=O)N2CCC[C@H]2C2CCCC2)cc(Cl)n1 50776807 FIRLOUALAFQOJZ-ZDUSSCGKSA-N 307.825 3.572 0 40 DHAB O=C(Cc1noc2ccccc12)NC1(c2ccccc2)CCC1 53473285 LYOSVWXUBSALEA-UHFFFAOYSA-N 306.365 3.566 0 40 DHAB COc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C3CC3)[nH]c2c1 57992645 NPXUEQVIJOIWPA-UHFFFAOYSA-N 324.380 3.883 0 40 DHAB Cc1nc2ccc(NC(=O)[C@@H](C)n3cnc4ccccc43)cc2o1 58357443 GYTALRCPRVKEAP-LLVKDONJSA-N 320.352 3.686 0 40 DHAB O=C1c2cccc3cccc(c23)C(=O)N1CCc1ccc(F)cc1 59484442 DBSRPGUVRJVEKA-UHFFFAOYSA-N 319.335 3.818 0 40 DHAB c1ccc2c(c1)CCC[C@@H]2N1CCCN(c2nccs2)CC1 64401583 DIBIIPNEWVIFBK-KRWDZBQOSA-N 313.470 3.733 0 40 DHAB COc1cccc(Cc2nnc(SCc3ccccc3)o2)c1 66257170 GUOSEPYCUGZMAT-UHFFFAOYSA-N 312.394 3.961 0 40 DHAB Cc1cnn([C@H](C)[C@@H](C)NCc2cc(-c3cccs3)on2)c1 69652046 DIRLBZVDSBBGDA-CHWSQXEVSA-N 316.430 3.647 0 40 DHAB Cc1noc(C)c1CNC(=O)CS[C@@H](C)c1ccc(F)cc1 69771772 OELFVBKCAQJSRP-LBPRGKRZSA-N 322.405 3.541 0 40 DHAB Cc1cnn(C[C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)c1 70040115 UWYALZPYAUNLIH-KRWDZBQOSA-N 322.412 3.511 0 40 DHAB COc1cc(C(=O)Nc2nc(C)c(C)s2)cc2occc12 71195338 JOPSHQBQFHXABK-UHFFFAOYSA-N 302.355 3.767 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)c3ccccc3F)C2)sc1C 72297407 LHSGELYFMAPKMO-ZDUSSCGKSA-N 318.417 3.919 0 40 DHAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](C(F)(F)F)C1 72406239 HAUYTLLTKKQDRX-SECBINFHSA-N 301.293 3.631 0 40 DHAB Cc1ccc(NC(=O)N(C)C(C)C)cc1NC(=O)N(C)C(C)C 75572650 JESHVMGWJSSDEE-UHFFFAOYSA-N 320.437 3.739 0 40 DHAB O=C(/C=C/c1cnccn1)N(Cc1ccccc1)C1CCCCC1 84535574 HRMDHUJRCZUAOT-VAWYXSNFSA-N 321.424 3.851 0 40 DHAB C[S@@](=O)c1ccc(CN[C@H]2CCCc3sccc32)cc1 90220868 PUGUABGYFUOGDQ-YWZLYKJASA-N 305.468 3.653 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)CS[C@H](C)c1ccccc1F 95408507 SENFTLLWIXKQFC-LLVKDONJSA-N 307.394 3.599 0 40 DHAB CC(C)c1nc(CCNC(=O)Nc2ccnc(Cl)c2)cs1 95454796 MNSAETYRSOBPEW-UHFFFAOYSA-N 324.837 3.679 0 40 DHAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccsc1 96104054 NCEQQFJVKKRASJ-UHFFFAOYSA-N 315.442 3.867 0 40 DHAB O=C1Nc2ccccc2[C@H]1Cc1ccc(OC(F)(F)F)cc1 96536888 LPTRWCKPIUHTFU-CYBMUJFWSA-N 307.271 3.864 0 40 DHAB CN(Cc1ccco1)C(=O)Nc1cc(Cl)c(Cl)cn1 97164569 FICSYDSUQNEUSD-UHFFFAOYSA-N 300.145 3.645 0 40 DHAB CC(C)(O)c1ccccc1-n1cccc1C(=O)c1ccccc1 98174887 RUZHINQIARRNCQ-UHFFFAOYSA-N 305.377 3.936 0 40 DHAB CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)CSC(C)(C)C)C1 195541212 YXAPHSUDXGTWLZ-HLBODDRNSA-N 305.553 3.576 0 40 DHAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(C)o2)C1=O 210130972 YZZVCWKWBXLJFH-ZROIWOOFSA-N 315.350 3.838 0 40 DHAB CCOc1ccc(CNC(=O)CCc2ccccc2Cl)cc1 220016164 XFDMYMKKMMKKPD-UHFFFAOYSA-N 317.816 3.988 0 40 DHAB Cc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1 222610808 HJZPVDUFEIMWJX-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB Cc1c(Br)cnc(NC(=S)NC(C)C)c1Cl 223873884 IIQUSYPRZFCLNU-UHFFFAOYSA-N 322.659 3.501 0 40 DHAB CCCCC(=O)Nc1ccc(OC)c(-c2ccc(C(=O)O)o2)c1 226352489 HGIQEEMNHNVPJN-UHFFFAOYSA-N 317.341 3.782 0 40 DHAB Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Cl)c(C)c1 227145184 PFIIPQQAORVBCR-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB FC(F)(F)c1cc(NC2CCN(c3ccccn3)CC2)ccn1 330032389 MLBHPVDUEHVQLG-UHFFFAOYSA-N 322.334 3.576 0 40 DHAB CN([C@@H]1C=CCCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 522209267 MNSYOXGMRFYXDZ-RLCCDNCMSA-N 312.240 3.992 0 40 DHAB O=C(NC[C@@]1(O)C=CCCC1)Nc1ccc(Cl)c(Cl)c1 618256923 NTUAEWQAWKWPQJ-CQSZACIVSA-N 315.200 3.586 0 40 DHAB FCc1cc(I)ccc1Br 1563591722 HTVZCNKTKNQNTD-UHFFFAOYSA-N 314.923 3.523 0 40 DHAB Cc1c(Br)ccc2c(C(=O)O)cc(C3CC3)nc12 1857793937 YURRHFGRZPHRFY-UHFFFAOYSA-N 306.159 3.881 0 40 DHAB O=C(Oc1ccc2oc(=O)sc2c1)c1cccc(Cl)c1 114734 NZSOXFWYRCOKPT-UHFFFAOYSA-N 306.726 3.727 0 40 DHAB O=C(O)CSc1ncnc2sc(-c3ccccc3)cc12 132287 CLMDSUMBQJGJOH-UHFFFAOYSA-N 302.380 3.535 0 40 DHAB O=C(NC(=S)NC1CCCC1)c1ccc(-c2ccccc2)cc1 359571 ADMGNQIFMGSONZ-UHFFFAOYSA-N 324.449 3.901 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 429511 XNXUMWKCXGLMBD-UHFFFAOYSA-N 320.776 3.748 0 40 DHAB COc1cc(O)ccc1[C@@H]1Nc2c(C)cccc2-c2cc(C)nn21 818141 TYRDAKLSUWIQKZ-LJQANCHMSA-N 321.380 3.854 0 40 DHAB COc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 1481016 RSZKMMOEPBFKES-UHFFFAOYSA-N 323.436 3.719 0 40 DHAB CCOC(=O)c1c(C)[nH]c(CN[C@@H](C)c2ccccc2)c1C 1679633 IVGXWYFHTIPERG-ZDUSSCGKSA-N 300.402 3.659 0 40 DHAB O=C(O)[C@@H]1O[C@@]1(c1cccc(Cl)c1)c1ccccc1Cl 1700874 ZLEYYNBRZZXPFX-ZFWWWQNUSA-N 309.148 3.720 0 40 DHAB COc1ccc(C(O)(c2ccc(OC)cc2)C(F)(F)F)cc1 2528683 XTAWFAFZHYWMHB-UHFFFAOYSA-N 312.287 3.502 0 40 DHAB COc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1OC 3205235 QZBOPMPOBAPPHD-UHFFFAOYSA-N 320.414 3.710 0 40 DHAB Cc1cc2nnc(SCC(=O)c3ccco3)n2c2ccccc12 3271532 PJZOKWPVNGGULC-UHFFFAOYSA-N 323.377 3.759 0 40 DHAB O=C(O)c1ccc(Nc2nnc(-c3c[nH]c4ccccc34)o2)cc1 3296746 CZUUOBCVHLDUOF-UHFFFAOYSA-N 320.308 3.660 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 4019012 XGMHHHZFXMTSJH-OZVVPTBGSA-N 310.180 3.529 0 40 DHAB CCOc1ccc(C(=O)OC[C@H]2CCCN3CCCC[C@@H]23)cc1 4023352 YKSDLEFNLYJLCO-AEFFLSMTSA-N 317.429 3.507 0 40 DHAB biogenic O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(Br)cc1 4262297 OVZXXISOLDHARA-VXGBXAGGSA-N 311.175 3.523 0 40 DHAB CC1=NN(Cc2c(C)nn(Cc3ccccc3)c2C)C(C)(C)C1 4725067 ODAXHTVSYNUEAK-UHFFFAOYSA-N 310.445 3.908 0 40 DHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cn2ccccc2n1 4902628 VUEPIJYUGLANRY-UHFFFAOYSA-N 320.396 3.577 0 40 DHAB CCCc1nnc2c3ccccc3c(-c3ccc(O)cc3)nn12 5246381 WPCMQRLDQJOQDL-UHFFFAOYSA-N 304.353 3.603 0 40 DHAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1 5441633 XZDKPXTYCREYRZ-UHFFFAOYSA-N 312.344 3.595 0 40 DHAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1ccccc1 6454805 GEBFEINNCBJSQZ-ZDUSSCGKSA-N 307.349 3.525 0 40 DHAB COc1ccc(SCC(=O)N[C@@H](C)c2ccccc2)cc1 7123412 RCLFJBYRHCQPOB-ZDUSSCGKSA-N 301.411 3.665 0 40 DHAB CCc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 8083405 LBXHIIFGJQFSAO-LDADJPATSA-N 320.392 3.650 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 8193562 QCQKISSTSIAPDH-UHFFFAOYSA-N 304.349 3.932 0 40 DHAB CCOc1ccc(NC(=O)C[C@H](C)n2nc(C)c(C)c2C)cc1 8714558 TUJCEVXKMMLHKH-LBPRGKRZSA-N 315.417 3.797 0 40 DHAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cccc(F)c1 8761915 BJBPVAGXUQEFMQ-UHFFFAOYSA-N 319.204 3.702 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cccnc1SC(F)F 9645564 JRKYCGDXQLKCQD-UHFFFAOYSA-N 324.352 3.966 0 40 DHAB Cc1cccc(OCCCn2c(C=O)nc3ccccc32)c1C 11735041 PPIQUWIUIRFDFO-UHFFFAOYSA-N 308.381 3.935 0 40 DHAB Cc1nn(CCC(=O)N[C@H](c2cccs2)C(C)C)c(C)c1C 12200262 CCJRVRHOURAEGU-KRWDZBQOSA-N 319.474 3.773 0 40 DHAB Cc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)n1 12527008 FFBKVSLQVFEENE-UHFFFAOYSA-N 318.380 3.705 0 40 DHAB COc1ccc(-c2cc3nc(C)c(C)c(Cl)n3n2)cc1OC 13562632 NZQDZNURJKMEOM-UHFFFAOYSA-N 317.776 3.684 0 40 DHAB COc1ccc(NC(=S)Nc2cc(C(=O)O)ccc2C)cc1 13812922 VVFBZKSNHNKOFU-UHFFFAOYSA-N 316.382 3.511 0 40 DHAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 14009117 ORNQLVFUWGFJNC-PTNGSMBKSA-N 311.362 3.936 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cnn(-c2ccccc2)c1 15577554 CHWYBGUCVPYOGS-UHFFFAOYSA-N 305.381 3.995 0 40 DHAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19082636 QDBYFPDDQBFMKO-OAHLLOKOSA-N 312.417 3.571 0 40 DHAB Cn1ccc([C@@H]2CCCCCN2Cc2cc(F)cc(F)c2)n1 19291056 XMWMJSFUJVFTKS-KRWDZBQOSA-N 305.372 3.816 0 40 DHAB CCc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1 19842352 MPMHDLYFIOMWBE-UHFFFAOYSA-N 308.469 3.875 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1cc(F)ccc1C 20030311 HAYFDBVIRTUGMD-MDZDMXLPSA-N 315.344 3.803 0 40 DHAB O=C(Nc1ccc(F)cc1Br)c1ccccc1F 20430082 WEFJVPBXFSWEOK-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20458377 DGLUNXHZQUKZQO-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)ccc1OC 20462386 OCVOVUCKUKARJX-INIZCTEOSA-N 317.360 3.939 0 40 DHAB O=C(c1ccccc1)N1CCCC[C@H]1CCN1CCCCCC1 21170715 ROOLRGBHJLLKAE-IBGZPJMESA-N 314.473 3.947 0 40 DHAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)C(C)C)s2)cc1 21872225 ATHULYWURXKTLN-NSHDSACASA-N 318.442 3.901 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccccc2Cl)cc1OC 21912793 BPCYXCZLIYXLFL-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB c1ccc(Cn2cc(CN[C@H]3CCOc4ccccc43)cn2)cc1 24082013 XFBKZLAPGFZMJH-IBGZPJMESA-N 319.408 3.545 0 40 DHAB O=C(COc1ccccc1Cl)Nc1nc(C2CC2)cs1 25560458 FYWMYRFJXAGUTA-UHFFFAOYSA-N 308.790 3.691 0 40 DHAB Cc1ccc([C@@H](CNC(=O)C(C)C)N2CCCCCC2)cc1 27662458 WGEQKDFGDBCSCQ-GOSISDBHSA-N 302.462 3.684 0 40 DHAB O=C(Nc1ccc(SC2CCCC2)cc1)C1=COCCO1 30183584 VXXLMGFYZKVGNW-UHFFFAOYSA-N 305.399 3.548 0 40 DHAB CC(C)c1nc(Cn2cnc3cc(Cl)ccc3c2=O)cs1 31654543 PQOYIPBORXHXOQ-UHFFFAOYSA-N 319.817 3.678 0 40 DHAB Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 32818352 UBEXZBBZDFSAGC-CHWSQXEVSA-N 315.335 3.615 0 40 DHAB COc1cccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c1 32833045 JOKBLHAYPUEYBK-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB O=C(NCC1(c2ccccc2)CCCC1)c1n[nH]c2ccccc12 32855924 JEGUBWXCRCBXST-UHFFFAOYSA-N 319.408 3.805 0 40 DHAB C[C@H](c1ccccc1)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 35080290 ZRRQJEOGSURZRN-DJIMGWMZSA-N 316.445 3.689 0 40 DHAB Cc1nc2cc3c(cc2c(C)c1C(=O)Nc1ccccc1)OCO3 37077167 SEAGUQWZOJENJQ-UHFFFAOYSA-N 320.348 3.833 0 40 DHAB CN(CC(F)(F)F)C(=O)c1cc2ccccc2c(Cl)n1 37987818 CRARBAYXDFVRJC-UHFFFAOYSA-N 302.683 3.523 0 40 DHAB O=C(OCCc1ccccc1)c1cc(Br)ccc1O 39951674 XTRJZQOMYPOVPN-UHFFFAOYSA-N 321.170 3.554 0 40 DHAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C 42646532 WPUCSWGNYJGCCQ-UHFFFAOYSA-N 324.424 3.547 0 40 DHAB CCN(Cc1ccccc1Cl)C(=O)Cc1c(C)noc1C 45396315 TUSVLTNZGPJVOW-UHFFFAOYSA-N 306.793 3.536 0 40 DHAB CCCNC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 45740838 MFBZLZGHCNQXKU-BBRMVZONSA-N 317.433 3.527 0 40 DHAB CC[C@@H](C)[C@H](NCc1ccc(Cl)c(Cl)c1)C(=O)OC 57901099 RCORSZWEMPLIFI-RNCFNFMXSA-N 304.217 3.671 0 40 DHAB O=C(NCCc1ccc(O)cc1)Nc1ccc(C(F)(F)F)cc1 64641827 UQPYUSOPTFLOEF-UHFFFAOYSA-N 324.302 3.775 0 40 DHAB CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CC=CCC2)c1 65590457 OZRHPWQKAVRFKP-CQSZACIVSA-N 315.417 3.821 0 40 DHAB CCN(Cc1csc(N(C)C(C)=O)n1)c1cc(C)cc(C)c1 66829928 KIGLZNYJIWBTLQ-UHFFFAOYSA-N 317.458 3.769 0 40 DHAB Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccccn1 68298713 PQSDYCJPJUPIDL-UHFFFAOYSA-N 322.368 3.816 0 40 DHAB O=C(CC(F)(F)F)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 69452283 LIUMFJAJOBBKLK-SCZZXKLOSA-N 311.225 3.630 0 40 DHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CCc1ccco1 69642436 LYYBIRITXGDPFY-KRWDZBQOSA-N 300.402 3.695 0 40 DHAB Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)C1CC1 69842039 NYPQGXLOGYZHSJ-SECBINFHSA-N 304.390 3.845 0 40 DHAB O=C(OCc1nccn1CC(F)(F)F)c1coc2ccccc12 71904837 IUSKBBRHTCNCPN-UHFFFAOYSA-N 324.258 3.549 0 40 DHAB O=C(Cc1cccc(Br)c1)Nc1ccccc1F 72064049 NIPNRLRDBBDBMB-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB O=C(Cc1ccc(F)cc1)N1CCC(c2ccsc2)CC1 75157106 NLELTKBPUOGNPQ-UHFFFAOYSA-N 303.402 3.836 0 40 DHAB Cc1nc(-c2ccccc2)sc1CS(=O)(=O)C1CCCC1 78978740 DQGOCIRLUIPUKW-UHFFFAOYSA-N 321.467 3.976 0 40 DHAB Cc1nc(SCCCc2cnn(C)c2)n(CC(C)C)c1C 79650380 BELWCUSZMHJAFV-UHFFFAOYSA-N 306.479 3.614 0 40 DHAB CC(C)CO[C@@H]1C[C@H](OC(=O)c2ccc(F)cc2F)C1(C)C 84544342 WFUYSQCFHKFGLS-CABCVRRESA-N 312.356 3.961 0 40 DHAB COCc1cccc(C(=O)Nc2c(C)cnn2-c2ccccc2)c1 89702564 NOZRABQEKXERHZ-UHFFFAOYSA-N 321.380 3.579 0 40 DHAB COc1ccc(Br)cc1C[S@](=O)C1CCCC1 95416374 ZBYNKPKSMRQVFX-QGZVFWFLSA-N 317.248 3.649 0 40 DHAB CC(C)(C)OC(=O)NC1CCC(NCc2ccccc2)CC1 95496338 OHLUWOBLCVPXBJ-UHFFFAOYSA-N 304.434 3.612 0 40 DHAB Cc1nc(CCCC(=O)N2CCC[C@@H]2C2CCCC2)cs1 96455587 DRGKOYLACHXTHE-MRXNPFEDSA-N 306.475 3.955 0 40 DHAB COc1ccc(C(C)=O)cc1CC(=O)O[C@@H]1CCC[C@@H](C)C1 98071021 BDTVYZAXILILRO-MLGOLLRUSA-N 304.386 3.562 0 40 DHAB C[C@H]1CCCC(=O)CCC/C=C\c2cc(O)cc(O)c2C(=O)O1 100007202 MBMQEIFVQACCCH-MIBUCLJRSA-N 318.369 3.580 0 40 DHAB in-vitro FC(F)(F)C1(C(F)(F)F)[C@H]2C=C[C@@H](C2)N1c1nccs1 100241666 DOPKYTGUSBYIIC-BQBZGAKWSA-N 314.254 3.771 0 40 DHAB CC(C)[C@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1CN)C2 100941253 XDWGFIVVEJQCFN-BRWVUGGUSA-N 309.837 3.914 0 40 DHAB Cc1csc(C2=C(O)CN([C@@H](C)CCc3ccco3)C2=N)n1 102243255 RCOKUTDXOIVIIR-NSHDSACASA-N 317.414 3.628 0 40 DHAB C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(-c2cncnc2)cc1 102704719 NGYSJHGMRMSAFA-AGGDQXJMSA-N 319.408 3.533 0 40 DHAB COc1ccccc1C[C@@H](Oc1cc(C)cc(C)c1C)C(=O)O 225097427 OVIUNRHWLVZJNW-GOSISDBHSA-N 314.381 3.695 0 40 DHAB Cn1c(SCCSC2CCCCC2)nnc1C(F)F 225689721 HPODAHGPLWEXBR-UHFFFAOYSA-N 307.435 3.911 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCC(C)CC2)cc1 226284938 JQRUSPPDZNERPR-UHFFFAOYSA-N 314.351 3.838 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)o2)c(N)c1 226301286 YJVKPWWXQAGWQK-KBPBESRZSA-N 312.413 3.955 0 40 DHAB O=C(COc1ccccc1)c1ccc(Br)cc1F 575243169 QKYKYDGOSJDGIF-UHFFFAOYSA-N 309.134 3.850 0 40 DHAB Cc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1C 1888863885 VZYWRXFGPJCATN-IRXDYDNUSA-N 324.428 3.900 0 40 DHAB COC(=O)c1ccc(NC(=S)N(CC(C)C)CC(C)C)cc1 134384 MIWMVDFIRCNJFU-UHFFFAOYSA-N 322.474 3.784 0 40 DHAB CC(C)(NO)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 136148 DJJISRVITXOFLR-UHFFFAOYSA-N 307.434 3.927 0 40 DHAB Cn1cc(SCC(=O)N2CCc3ccccc32)c2ccccc21 425859 XGJYWCFKIPIARS-UHFFFAOYSA-N 322.433 3.860 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccccc1Cl 499939 ODMKTHQYHUZOSC-OAHLLOKOSA-N 319.744 3.638 0 40 DHAB COc1ccc(OCC(=O)Nc2cccc3ccccc23)cc1 504464 URVFLMJSRTVIBS-UHFFFAOYSA-N 307.349 3.866 0 40 DHAB CCc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)cc1 527130 YWICXDCTIYFNJX-IRXDYDNUSA-N 319.412 3.569 0 40 DHAB COC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3n2C)C1(C)C 1426743 AXVQFNXCGIJSCL-SGTLLEGYSA-N 300.402 3.656 0 40 DHAB CSc1nc(N)c(C(=O)Nc2cccc3ccccc23)s1 1566687 IOKXXTBYEASHTD-UHFFFAOYSA-N 315.423 3.853 0 40 DHAB COc1cc2c(cc1[C@H](C)c1ccc(OC(C)=O)cc1)OCO2 1583052 XUNWJVZDBRUJDH-LLVKDONJSA-N 314.337 3.501 0 40 DHAB Cc1cc2c(=O)cc(-c3ccc(F)cc3)oc2c(C(=O)O)c1C 1618461 IWQBLSUXLYFZKP-UHFFFAOYSA-N 312.296 3.914 0 40 DHAB CCCN(CCC)C(=O)[C@H](c1ccccc1)C1(O)CCCC1 1670722 BWISZNUOEZWPSJ-KRWDZBQOSA-N 303.446 3.724 0 40 DHAB Cc1cccc(-n2c(S)nc3sc4c(c3c2=O)CCC4)c1 3885786 DHFNWEMAAIUPAC-UHFFFAOYSA-N 314.435 3.533 0 40 DHAB C[C@H](Sc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 4405941 YFMRVKUDUPQXGA-JTQLQIEISA-N 300.358 3.916 0 40 DHAB O=C(/C=C/c1c(F)cccc1Cl)NCc1ccc(F)cc1 5405058 UHTJASSQZHEQED-CMDGGOBGSA-N 307.727 3.948 0 40 DHAB Cc1c(C=O)c2ccccc2n1CCOc1ccc2c(c1)OCO2 5658709 FMIGOBWCCARYIU-UHFFFAOYSA-N 323.348 3.570 0 40 DHAB CCOc1ccc(NC(=O)c2nc(SC)ncc2Cl)cc1 6810417 KNFSCBOKHXHZPU-UHFFFAOYSA-N 323.805 3.503 0 40 DHAB CC[C@H](C)Cn1c(CCCCCNC(C)=O)nc2ccccc21 7343672 DXEUCGXQKWASKS-HNNXBMFYSA-N 315.461 3.931 0 40 DHAB C[C@@H]1CCCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 7486546 BBKIQHXVTZGVMS-LLVKDONJSA-N 300.324 3.518 0 40 DHAB Cc1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(F)cc2)c1 7777728 WPOLYTVPTAYCQY-AWEZNQCLSA-N 300.377 3.593 0 40 DHAB O=S(=O)(Oc1ccccc1F)C1=Cc2ccccc2CC1 7814284 WLESJMAMFHJVIG-UHFFFAOYSA-N 304.342 3.522 0 40 DHAB O=C(CCc1ccccc1)OCC(=O)c1ccc(Cl)s1 7814710 WJNHYFOXRJJHBE-UHFFFAOYSA-N 308.786 3.760 0 40 DHAB Cc1ccc2oc(C(=O)NCCc3c[nH]c4ccccc34)cc2n1 8798751 XDFDNSSGUIUVPO-UHFFFAOYSA-N 319.364 3.590 0 40 DHAB COc1ccc2oc(C(=O)NCCc3cccs3)c(C)c2c1 9457601 PKELMPDKFBDUDL-UHFFFAOYSA-N 315.394 3.784 0 40 DHAB OCCCn1c(-c2cccs2)cs/c1=N\c1ccccc1 10187309 YDPKWNVBRYAZTN-MSUUIHNZSA-N 316.451 3.893 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1F 12926379 ZYFPMKFEHMZWJH-HNNXBMFYSA-N 305.736 3.730 0 40 DHAB Cc1ccc(OCC(=O)NCCSc2ccccc2)c(C)c1 15136769 VVWVLLILAUKTHI-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1cccc(Cl)c1 15966837 YWYZGSOLKCJLKP-LBPRGKRZSA-N 319.788 3.605 0 40 DHAB CCc1ccc(CN2CCN([C@@H]3CCCC[C@H]3C)CC2)cc1 19842376 IOSGVSNXYJVSHE-YLJYHZDGSA-N 300.490 3.945 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)Cc1c(F)cccc1Cl 20836780 OGMFGHWJFZHCFR-NSHDSACASA-N 303.764 3.999 0 40 DHAB CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 22259204 AGWVVEKSTWMQIM-UHFFFAOYSA-N 303.427 3.631 0 40 DHAB CCc1nnc(COC(=O)c2c(C)c(C)c(C)c(C)c2C)o1 22987728 CYYDWPQHMOSRHZ-UHFFFAOYSA-N 302.374 3.531 0 40 DHAB COCc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 25334885 VVQPNFNUWDKVIT-UHFFFAOYSA-N 307.752 3.807 0 40 DHAB Cc1noc(C)c1CN(C)Cc1c(C)nn(-c2ccccc2)c1C 27031491 AQLWBVZIMLGFHU-UHFFFAOYSA-N 324.428 3.726 0 40 DHAB C[C@H](C(=O)NC1CCCC1)N(C)CC12CC3CC(CC(C3)C1)C2 27782550 KWKRPTVSPCFPNH-ZIUDEIKKSA-N 318.505 3.582 0 40 DHAB Cc1ccsc1C(=O)Nc1sc(C(C)C)cc1C(N)=O 27926711 XAGJZQNTOKNRBH-UHFFFAOYSA-N 308.428 3.593 0 40 DHAB Cc1[nH]c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2c1C 28515276 JXKDJSWRQXTXFX-UHFFFAOYSA-N 319.408 3.985 0 40 DHAB O=c1c2ccccc2cnn1CCCOc1ccc(Cl)cc1 32741529 TUEHMLDSABLSTG-UHFFFAOYSA-N 314.772 3.519 0 40 DHAB Cc1ccc(SCCNC(=O)NCCc2ccccc2)cc1 32862609 BLBCVHOIQZVYET-UHFFFAOYSA-N 314.454 3.629 0 40 DHAB COc1ccc(CNC(=O)c2sc3ccccc3c2C)cn1 32873817 IFYDFQNKNBVIAR-UHFFFAOYSA-N 312.394 3.543 0 40 DHAB O=C(NCC[C@@H]1CCCO1)c1ccc(Oc2ccccc2)cc1 32908788 FHTNSFRYUILFTG-INIZCTEOSA-N 311.381 3.778 0 40 DHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(F)cc1F 32930841 XXKCKVWHRHFRQJ-JTQLQIEISA-N 309.743 3.979 0 40 DHAB C[C@@](c1ccccc1)(c1ccc(Cl)cc1)N1CCNCC1 38339081 SZGOKVMLMVJPBS-GOSISDBHSA-N 300.833 3.509 0 40 DHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CC=CCC1 40108453 MYWCYOAEQYMVED-OCCSQVGLSA-N 322.246 3.853 0 40 DHAB CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2cccs2)n1 40514048 CGJCDKARJMSLNK-GFCCVEGCSA-N 319.430 3.551 0 40 DHAB Cc1ccc(NC(=O)CCSCc2ccccn2)c(F)c1 48211366 HBUQQEOMLWWDGR-UHFFFAOYSA-N 304.390 3.791 0 40 DHAB O=C(NCCc1ccsc1)NCc1cccc2ccccc12 49343545 FYNYLVIEIXQNCP-UHFFFAOYSA-N 310.422 3.943 0 40 DHAB CC(C)(C)[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 54397203 WETPLCDCMODJGR-IBGZPJMESA-N 321.424 3.572 0 40 DHAB CCN(CC)[C@H](CNc1ncnc2ccsc12)CC(C)C 58621078 CDJQXCYKZDWLDN-ZDUSSCGKSA-N 306.479 3.860 0 40 DHAB COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl 59400973 DLFOXCRRRUULAD-UHFFFAOYSA-N 302.972 3.657 0 40 DHAB COc1ccccc1CN[C@H](C)c1cccc(N2CCCC2=O)c1 71831347 BGSHFKCGDXEWMD-OAHLLOKOSA-N 324.424 3.673 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccsc2)cc1 72221712 XSBGTEGUTCKLBW-MRXNPFEDSA-N 321.467 3.972 0 40 DHAB Cc1ccc(-c2snnc2C(=O)NCc2cccs2)cc1 72240016 YEMMTVLTHVMBTE-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB Cc1cccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)c1 72330112 IFJLRYKHVDVHQN-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB COc1ccc(-c2cnn3c(-c4ccccc4O)ccnc23)cc1 72402960 HAUQNSSWAPVPOL-UHFFFAOYSA-N 317.348 3.778 0 40 DHAB Cc1cccc2c1ccn2CCC(=O)N1CCc2ccccc2C1 72406380 UTZOFUWENBKWES-UHFFFAOYSA-N 318.420 3.925 0 40 DHAB COCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 78190975 LOMLKLCHHSZOKT-ZDUSSCGKSA-N 323.742 3.876 0 40 DHAB 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Cc1nc2ccc(N(C)C)cc2c(O)c1CN1CCC[C@H](C)C1 8717522 XCHYXSOBLQFCNN-ZDUSSCGKSA-N 313.445 3.547 0 40 DHAB Cc1cccc(NC(=O)/C=C2\Sc3ccccc3NC2=O)c1 9287481 VECNHBKOTRFIMH-GDNBJRDFSA-N 310.378 3.562 0 40 DHAB CCCc1ccc(NC(=O)COc2cccc3c2CCC3=O)cc1 11100787 HUXPEKJVVLTEGJ-UHFFFAOYSA-N 323.392 3.786 0 40 DHAB CCc1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11157092 PPQPBOBXOWXROW-SFHVURJKSA-N 312.388 3.820 0 40 DHAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3C)ccc2o1 12753345 RFEWHBZDSFGGIW-GFCCVEGCSA-N 309.369 3.884 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)c1 12908293 YJPGQTXYGRSLNG-QGZVFWFLSA-N 315.438 3.829 0 40 DHAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)s1 14066847 SBHKLZJYDUYIGR-UHFFFAOYSA-N 320.395 3.983 0 40 DHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)C(C)C 14165688 BOITZCBKVIQJJS-LLVKDONJSA-N 320.414 3.676 0 40 DHAB COc1ccc(NC(=O)NC2CCCCCCC2)cc1OC 15934320 OKTGTIAHVVLOEQ-UHFFFAOYSA-N 306.406 3.938 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1F 20904319 QWNXEZNCIPCBSC-UHFFFAOYSA-N 309.287 3.917 0 40 DHAB CC(=O)Nc1ccc(SCC(=O)OC2CCCCC2)cc1 21356418 PBDBZBUNIRURID-UHFFFAOYSA-N 307.415 3.613 0 40 DHAB Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1[C@H](C)c1ccccc1 24768518 VOZOUBMNPJAFAP-CQSZACIVSA-N 322.412 3.700 0 40 DHAB CCCCC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27662487 WITHJCXUNDLCMN-HNNXBMFYSA-N 308.491 3.972 0 40 DHAB COc1ccc(NC(=O)Cn2ccc3cc(Cl)ccc32)cc1 32093809 PMEXQUVELPSCJH-UHFFFAOYSA-N 314.772 3.942 0 40 DHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)N[C@H]1CCCC[C@H]1C 32863321 JZERMIODQOLRJD-CJNGLKHVSA-N 322.424 3.945 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)C1(C)C 32893107 DXQXIAWJRRIRGI-WBVHZDCISA-N 313.445 3.859 0 40 DHAB CSc1ccccc1C(=O)NCCO[C@@H]1CCCC[C@H]1C 32931260 USHQAAZWYSHCKN-UKRRQHHQSA-N 307.459 3.734 0 40 DHAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(Cl)c1 32935959 KNWLZKGMPWRYJV-CQSZACIVSA-N 320.824 3.773 0 40 DHAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)s1 33024232 VMBUALFATHLUNO-AWEZNQCLSA-N 318.442 3.607 0 40 DHAB Cc1ncc([C@@H](O)c2ccc(Cl)cc2)c2c1OC(C)(C)OC2 34620502 SVZOJRDBMRXDLL-HNNXBMFYSA-N 319.788 3.770 0 40 DHAB in-vitro O=C(CSc1ccc(Cl)cc1)Nc1cccc(CO)c1 37974860 ZTNIJOMLJAQABB-UHFFFAOYSA-N 307.802 3.563 0 40 DHAB CCCc1noc([C@H]2CCCCN2C(=O)NC2CCCCC2)n1 41122780 OXJDDJYCGGTNHR-CQSZACIVSA-N 320.437 3.591 0 40 DHAB C[C@H]1CCCN(c2nc(N3CCCCC3)c3ccccc3n2)C1 41148638 QPHAODBYBKTQMK-HNNXBMFYSA-N 310.445 3.856 0 40 DHAB Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1CC(F)(F)F 42946062 KZQLZWCIAIXTOL-UHFFFAOYSA-N 314.351 3.586 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2cccs2)on1 43290572 SZKSAOQFFATBIF-VXGBXAGGSA-N 305.403 3.652 0 40 DHAB CN(Cc1ccc2ccccc2c1)C(=O)c1cccc2cn[nH]c12 44068883 QBRJDLZGUMBNJR-UHFFFAOYSA-N 315.376 3.988 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)C1CCCCC1 44884445 RZDDEUGESXMKAX-KRWDZBQOSA-N 305.418 3.644 0 40 DHAB O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1ccccc1 46001784 LDDNJFAJKYZQHK-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)n1ccnc1 47918632 JBADFLUPLGUJKU-OAHLLOKOSA-N 305.381 3.674 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)N[C@H](C)[C@H](C)CC)cc1 48324601 YPPKPIZURXQWGF-ZIAGYGMSSA-N 305.418 3.599 0 40 DHAB COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OC 48546197 DZROLBFXUXGMAR-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB CCC1CCC2(CC1)SCC(=O)N2c1ccc(C(=O)O)cc1 55175024 OZUKPVLDWWOUGM-UHFFFAOYSA-N 319.426 3.761 0 40 DHAB Cc1ccsc1CN(Cc1cccc(C(N)=O)c1)C(C)C 58136845 KLHAZWJMPLRWDU-UHFFFAOYSA-N 302.443 3.566 0 40 DHAB CN(C(=O)c1cnccn1)c1ccc(Oc2ccccc2)cc1 58417718 LZUZIOXPUBKZBF-UHFFFAOYSA-N 305.337 3.546 0 40 DHAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCCCc2ccccc21 59251921 NDVCVYLYVAUQTR-LJQANCHMSA-N 320.392 3.549 0 40 DHAB COc1ccc([C@H](C)NC(=O)COc2ccc(C)cc2C)cc1 59351975 AYIYTBIQIRCQBC-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB CC(C)OCC(=O)Nc1ccccc1CN1CCc2ccccc21 63826904 ACKJAKBKGAWMNU-UHFFFAOYSA-N 324.424 3.613 0 40 DHAB Cc1nn(C)c2sc(C(=O)Nc3cccc4[nH]ccc34)cc12 65514649 YBAGUQWKTGFVLH-UHFFFAOYSA-N 310.382 3.677 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1C[C@@H]1c1ccccc1 67511889 YYYILMOGIMNMDU-SJORKVTESA-N 318.376 3.936 0 40 DHAB Cc1nc([C@@H](C)NC(=O)NCCCc2cccc(F)c2)cs1 69113667 YNLLXQLRJUOAJX-LLVKDONJSA-N 321.421 3.584 0 40 DHAB CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 69871301 WDPRXEOEQCESBJ-HOTGVXAUSA-N 301.434 3.526 0 40 DHAB c1ccc2oc([C@H]3CCCN(C[C@@H]4CCCCO4)C3)nc2c1 69876337 PYEGMPUJZVMPGR-GJZGRUSLSA-N 300.402 3.576 0 40 DHAB C[C@H]1CN(c2ccc(Nc3nc4ccccc4o3)cn2)C[C@@H](C)O1 70039823 NKXPCIUXAWDPAJ-BETUJISGSA-N 324.384 3.580 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccc(Br)cc2)c(N)c1 70462825 SASMLNFYYXIVII-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(F)cc12 72194311 BHMZKFCDJYJFJH-UHFFFAOYSA-N 319.376 3.681 0 40 DHAB COCCCCC(=O)Nc1cccc(N2CCCCCC2)c1 76373833 OILYUSMLINXEKA-UHFFFAOYSA-N 304.434 3.822 0 40 DHAB Cc1csc(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)n1 95448625 ZWZRKHDBRVMLKQ-ZIAGYGMSSA-N 317.458 3.677 0 40 DHAB C[C@H](c1ccccn1)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 101682196 AZUVUIZQXCYECR-CABCVRRESA-N 319.449 3.522 0 40 DHAB CCS[C@@H]1CC[C@@H](NC(=O)Cc2cnc3ccccc3c2)C1 131374519 NEHXJHGRZLZJAM-HZPDHXFCSA-N 314.454 3.568 0 40 DHAB Cc1cc(C)cc(OCC(=O)n2cc(C(=O)O)c3ccccc32)c1 218739053 GXNADYXCCRNFPO-UHFFFAOYSA-N 323.348 3.676 0 40 DHAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223206895 XUIWWXUGWBGMIA-HNNXBMFYSA-N 323.436 3.994 0 40 DHAB COc1cccc(CCCNC(=S)Nc2cccc(F)c2)c1 225553388 XMGHUUGOKLNKIK-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB Cc1csc(C(=O)NCC[C@@H](O)c2cccc(Cl)c2)c1 225607643 IXACLFFHZZZFMC-CYBMUJFWSA-N 309.818 3.563 0 40 DHAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c(C)n1 225900279 ZBSBKBCTQSHWHH-SCLBCKFNSA-N 320.433 3.713 0 40 DHAB COc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cn1 225959975 ZGXJQXQAUOLJFA-UHFFFAOYSA-N 304.777 3.660 0 40 DHAB CN(C)c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 226260685 UXWOUKDICURKIG-UHFFFAOYSA-N 311.429 3.885 0 40 DHAB Cc1csc(C(=O)N2CCC[C@H](Cc3ccccn3)C2)c1 257255835 KJARTRQURWRPBB-CQSZACIVSA-N 300.427 3.546 0 40 DHAB CN(C(=O)Cc1noc(C(F)=C2CCCC2)n1)C1CCCCC1 328816833 CYUPPDVBIBSDKL-UHFFFAOYSA-N 321.396 3.658 0 40 DHAB COc1ccc([C@@H](C)CN2CCc3nc(C4CC4)ncc3C2)cc1 528740751 IIFKMLGXZYUIGP-AWEZNQCLSA-N 323.440 3.524 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1 575616934 QWWGOUYSDSESRC-UHFFFAOYSA-N 322.364 3.670 0 40 DHAB O=C(NCc1cc(-c2ccoc2)cs1)c1cc(C2CC2)on1 1775969523 AXHFVHULULUFRP-UHFFFAOYSA-N 314.366 3.804 0 40 DHAB CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 70845 XAWJINRTRUSQAI-SFQUDFHCSA-N 307.349 3.738 0 40 DHAB Cc1cc(Br)ccc1NC(=O)COc1ccccc1 514206 ILWXZSPNQZFFGQ-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB C[C@H](Cc1cccc2c1Nc1ccccc1S2)N(C)CCO 1636907 YVMXOTFHWXEJKP-CYBMUJFWSA-N 314.454 3.750 0 40 DHAB COCCSc1ccccc1C(=O)NC1CCCCCC1 2153599 CNRGZSBDXSMPHZ-UHFFFAOYSA-N 307.459 3.878 0 40 DHAB C[C@@H]1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1 3216427 BZYMJLMCUAIOMI-MRXNPFEDSA-N 309.409 3.991 0 40 DHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cc(C)ccc1C 3545655 RGQQXHWUJISZSS-UNOMPAQXSA-N 323.392 3.524 0 40 DHAB COc1ccccc1CNC(=O)c1cc(Cl)cc(Cl)c1 3614971 FHSMPELRFWYBAG-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB COC(=O)c1c(NC(=O)CCc2ccccc2)sc(C)c1C 4570494 QFENNVPAWYDTLF-UHFFFAOYSA-N 317.410 3.723 0 40 DHAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccccc1Cl 5120598 BISZAKSDMWXECZ-ZDUSSCGKSA-N 323.845 3.640 0 40 DHAB C[C@H](C(=O)NCC1CCCCC1)N(C)Cc1cccc(Cl)c1 5938969 VQKSOSTYYGHVTC-CQSZACIVSA-N 322.880 3.857 0 40 DHAB CC(C)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@@]21C)C(=O)OC3 6257186 KPXIBWGPZSPABK-PXNSSMCTSA-N 312.409 3.983 0 40 DHAB biogenic C[C@H](NS(=O)(=O)c1ccccc1F)c1cccc(Cl)c1 7305235 NVCMFKKFVVHGTG-JTQLQIEISA-N 313.781 3.519 0 40 DHAB Cc1ccccc1-c1nnc2sc(CCc3ccccc3)nn12 8392779 UGYSJESGBSJWFM-UHFFFAOYSA-N 320.421 3.946 0 40 DHAB c1ccc(COc2ccc(CNCc3ccncc3)cc2)cc1 8436057 QVDMIJNZTZKLPP-UHFFFAOYSA-N 304.393 3.950 0 40 DHAB CCSc1nc2nc(-c3cccc4ccccc34)cc(O)n2n1 8738960 ILLDFFRHKSHUGK-UHFFFAOYSA-N 322.393 3.762 0 40 DHAB Cc1ccc(C)c(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1 9056651 SIJYKOZHCPRDFL-UHFFFAOYSA-N 324.405 3.515 0 40 DHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 12822353 TYFQISHVBCNQRA-SFHVURJKSA-N 323.392 3.922 0 40 DHAB Cc1ncc([C@@H](O)c2cccc(Cl)c2)n1Cc1ccccc1 13281786 CSKXPFXFIQQXMA-SFHVURJKSA-N 312.800 3.975 0 40 DHAB O=C(O)Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 13439633 IBFAOUGMEVTQGY-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB COc1ccc(-c2nn(CN3CCCC[C@@H]3C)c(=S)o2)cc1 13942973 HSMZZLMLBKCAII-LBPRGKRZSA-N 319.430 3.713 0 40 DHAB CCc1nc2ccccc2n1C[C@H](O)COc1ccc(C)cc1C 15860733 TWXFPURQRJOYDB-INIZCTEOSA-N 324.424 3.655 0 40 DHAB CC(C)[C@@H]1O[C@H]([C@@H]2OCC(C)(C)[C@@H](C(C)C)O2)OCC1(C)C 17162616 UELHWAGUKCPMNW-QKPAOTATSA-N 314.466 3.834 0 40 DHAB Cc1cc(NC(=O)c2ccc(N)cc2)ccc1Br 19274745 YPMZUQHMGIXVGL-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Fc1cccc(Cn2c([C@H]3CCCNC3)cc3cccnc32)c1 19293950 UATZYHXHOHGTBZ-INIZCTEOSA-N 309.388 3.691 0 40 DHAB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(N)c1 19987199 OGOPXVDBZWGWBJ-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cc1ccc(O)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 20984160 OTEBYEAEBYBBBX-NSHDSACASA-N 305.761 3.760 0 40 DHAB COc1ccc(C)cc1C(=O)NCc1nc2ccccc2s1 23425037 DTEDVXJYCDNWEY-UHFFFAOYSA-N 312.394 3.543 0 40 DHAB CCc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)o1 25088647 RUEMDHPORMOWIR-UHFFFAOYSA-N 321.380 3.648 0 40 DHAB COc1ccc(NC(=O)C(C)(C)C)cc1OCc1ccncc1 25852341 SNXMCSGPMYQMHV-UHFFFAOYSA-N 314.385 3.654 0 40 DHAB Cc1ccc(Cn2nccc2NC(=O)c2ccccc2C)cc1 28292908 XNCJYKYKZNZDDN-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB Cc1ccc(NC(=O)Cc2noc3ccccc23)c2cccnc12 31096244 GMHUJHDWWDFQLA-UHFFFAOYSA-N 317.348 3.866 0 40 DHAB Cc1ccc(-c2nc(C(=O)N[C@H](C)c3ccncc3)cs2)o1 31207010 ZXROPHUQSBLLBB-LLVKDONJSA-N 313.382 3.598 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nccs1 31663889 QRAZVEXMLJZNBY-SSDOTTSWSA-N 317.197 3.856 0 40 DHAB Cc1ccc(N2C(=O)C[C@H]([C@@H](C)c3ccccc3)C2=O)cc1C 35142056 DYOCAVFNXZPCON-MAUKXSAKSA-N 307.393 3.987 0 40 DHAB COc1ccc(C2=CCN(C(=O)c3cccc(F)c3)CC2)cc1 40119697 RMQYCBDXSJHJBI-UHFFFAOYSA-N 311.356 3.764 0 40 DHAB Cc1cc(C(=O)O)ccc1NC(=O)Nc1cccc(Cl)c1 40429689 OBHWLZMYCCCYBQ-UHFFFAOYSA-N 304.733 3.991 0 40 DHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1c(C)noc1C 40553177 NIXDTKIGMRMZAW-HNNXBMFYSA-N 316.401 3.565 0 40 DHAB CC(C)(C)c1cc(Br)ccc1O[C@@H]1CCCNC1 42774653 PNTATGWUCJORQL-GFCCVEGCSA-N 312.251 3.877 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)N[C@@H](C)c1ccccc1F 45035703 NIOCEVIHHDLKEQ-STQMWFEESA-N 304.365 3.800 0 40 DHAB CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(C)no2)s1 48260743 CFYJBBNVDBFWCI-GFCCVEGCSA-N 319.430 3.678 0 40 DHAB O=C(CCCOc1ccccc1)Nc1ccc2oc(=O)ccc2c1 48365400 MDLOKJIOEFBBJF-UHFFFAOYSA-N 323.348 3.591 0 40 DHAB CC1CCN(c2ccc(NC(=O)NCc3ccccn3)cc2)CC1 53247931 OREFNAXVAMDBBZ-UHFFFAOYSA-N 324.428 3.640 0 40 DHAB CCc1noc(C)c1C(=O)Nc1cc(F)cc(N2CCCC2)c1 58200833 IJFPHTJYDRDESU-UHFFFAOYSA-N 317.364 3.537 0 40 DHAB COc1cc(NC(=O)c2nccc3ccccc23)cc(OC)c1 60321951 CJXSVMXUEBMKLH-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB O=C1c2ccccc2C(=O)N1Cc1cccc(-c2nccs2)c1 65090307 GDAPSWYBGPZFQO-UHFFFAOYSA-N 320.373 3.606 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1CCCc1ccccc1 65184400 BKGZDCRLHWOZEG-UHFFFAOYSA-N 315.800 3.694 0 40 DHAB Cc1nc([C@H](NCc2ccc(Cl)cc2)c2ccccc2)n[nH]1 69169008 KAASBHZREPPLNR-MRXNPFEDSA-N 312.804 3.646 0 40 DHAB C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(Cl)c1 69808413 HSSRBVDLWLGQTB-XUSGNXJCSA-N 321.829 3.616 0 40 DHAB O=C1Nc2ccccc2/C1=C/c1ccc(Oc2cnccn2)cc1 72303863 PGCWETODWPIAGW-WJDWOHSUSA-N 315.332 3.762 0 40 DHAB CCCN(CC1CC1)C(=O)Nc1cccc(-c2nccn2C)c1 77446952 SVPCRJXHIAQZFI-UHFFFAOYSA-N 312.417 3.741 0 40 DHAB CCc1[nH]nc(NCc2ccccc2OCc2cccnc2)c1C 79112179 KAYOBDYOJZHHIP-UHFFFAOYSA-N 322.412 3.867 0 40 DHAB CCC[C@@H]1CCCN(Cc2nc(O)c3sccc3n2)CC1 84740775 LXNKIUIXNFNWGG-GFCCVEGCSA-N 305.447 3.799 0 40 DHAB Cc1ccc(-n2cc(C)cn2)c(NC(=O)c2ccccc2F)c1 89618782 PTLNNVCIHWYHOR-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB O=C(Oc1ccccc1)c1ccccc1COC1CCOCC1 89845729 MJQGZWDDXYGHNQ-UHFFFAOYSA-N 312.365 3.601 0 40 DHAB COc1ccsc1CN1CCSC[C@H]1c1ccc(C)o1 93818958 BNYDPDSBACMTTF-LBPRGKRZSA-N 309.456 3.948 0 40 DHAB CC[C@@H](c1ccncc1)N(CC)C(=O)NC[C@]1(C)CCCS1 95412606 PVYUDQLMENPNPW-RDJZCZTQSA-N 321.490 3.850 0 40 DHAB CCOc1ccc([C@@H](C)NCc2ccnc(-n3ccnc3)c2)cc1 95421125 GGMHKWVBXRNJLY-OAHLLOKOSA-N 322.412 3.517 0 40 DHAB O=C(c1cc(F)cc(C(F)(F)F)c1)N1C[C@H]2CC=CC[C@@H]2C1 95964764 SMZOPXDVWCTXHV-GHMZBOCLSA-N 313.294 3.883 0 40 DHAB Cc1nn(-c2ccccc2Cl)c2nnc(-c3ccccc3)nc12 96316682 UUFDFUDEICZIHT-UHFFFAOYSA-N 321.771 3.839 0 40 DHAB C[C@@H](NCc1coc(-c2c(F)cccc2F)n1)c1ccncc1 97084044 BTKMEPRQYJYBJY-LLVKDONJSA-N 315.323 3.866 0 40 DHAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(C3CCCCC3)no2)C1 109528085 IZKQTIKRWRTQKX-AWEZNQCLSA-N 319.449 3.869 0 40 DHAB COc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1N 111309973 NHHWBFXDQXXAAA-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB CC(C)c1ccc(CCC(=O)NCCC2CCN(C)CC2)cc1 156428576 VHRQIMJHOUUDCW-UHFFFAOYSA-N 316.489 3.591 0 40 DHAB O=C(NCCSCc1c(Cl)cccc1Cl)C1CC1 225382878 HVBWWOPOTHENQY-UHFFFAOYSA-N 304.242 3.753 0 40 DHAB C[C@H](NC(=O)N1C[C@@H]2CC=CC[C@H]2C1)c1csc(C2CC2)n1 252581809 MYEIZRAJFXYJOM-UBHSHLNASA-N 317.458 3.689 0 40 DHAB Cc1c[nH]c(-c2cncc([C@H]3CCCN3Cc3ccccc3)n2)n1 257224620 FCPAKRRUOKFJPD-GOSISDBHSA-N 319.412 3.512 0 40 DHAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 257321689 WCTSSKJECYVJGF-HNNXBMFYSA-N 312.388 3.624 0 40 DHAB Cc1nccc([C@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1 257343953 ZVBYGQYLTPLUAF-QGZVFWFLSA-N 321.380 3.817 0 40 DHAB O=C(Cc1ccncc1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 390834507 ZWPMRGUAPFVKMR-SFHVURJKSA-N 310.372 3.516 0 40 DHAB S=C(C1=Cc2ccccc2OC1)N1CCc2ccccc2C1 409206212 NETPJHRHJMPDQF-UHFFFAOYSA-N 307.418 3.848 0 40 DHAB CCc1nc(=NCc2cccc(-c3csc(C)n3)c2)s[nH]1 585139187 NDUPAYIFCZDXJF-UHFFFAOYSA-N 316.455 3.566 0 40 DHAB Cc1cc(CNC[C@@H](C)c2c(C)noc2C)c2c(n1)CCCC2 893178963 JEMCYUZRCXIEQA-GFCCVEGCSA-N 313.445 3.767 0 40 DHAB COc1ccc(CNc2ncc(-c3ccc(OC)cc3)n2C)cc1 819116 ZTIOBVQXDFKFOR-UHFFFAOYSA-N 323.396 3.716 0 40 DHAB CCN(CC)C(=O)CSc1nc(C(C)C)nc2ccccc12 1342855 BKZMJXDGLBJDNV-UHFFFAOYSA-N 317.458 3.714 0 40 DHAB CCCC[C@H](c1ccccc1)C(C(=O)OCC)C(=O)OCC 1758778 KVRXSCFFVPWRKR-OAHLLOKOSA-N 306.402 3.703 0 40 DHAB O=C(CSc1ncnc2ccccc12)NC1CCCCCC1 3253887 NZSCFQOFRUIAIN-UHFFFAOYSA-N 315.442 3.561 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)s1 3384798 NQZHLRCNYARLRE-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB CCSC1=NCCN1C(=O)c1ccc(Cl)cc1Cl 4119775 JIHCBIQGAXSDQG-UHFFFAOYSA-N 303.214 3.558 0 40 DHAB COc1ccccc1Oc1ncnc2c1cnn2-c1ccccc1 4355233 KKNNBYXFZKQGNI-UHFFFAOYSA-N 318.336 3.616 0 40 DHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccccc3)cc21 5136380 TZGPVDANBIBGKF-UHFFFAOYSA-N 322.408 3.874 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(CC)cc1 5421156 CAXVQNOBHXKQRA-HNNXBMFYSA-N 304.434 3.520 0 40 DHAB COc1ccccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 5676460 KVPRHLDYUVRHBP-UHFFFAOYSA-N 300.402 3.786 0 40 DHAB in-vivo O=C1CCCC[C@H]1Sc1nnc2c(Cl)cc(Cl)cn12 6099508 WTBFMEBJDCJNET-SNVBAGLBSA-N 316.213 3.640 0 40 DHAB CC[C@H](OC[C@@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1 6355971 QPXDBTYBCYZQBM-VDGAXYAQSA-N 313.441 3.866 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1 6473340 UEUFUQBUZGWIHL-UHFFFAOYSA-N 310.136 3.974 0 40 DHAB CCc1ccccc1NC(=O)CSc1ccc(OC)cc1 6540191 XESIXJSUYQPGNW-UHFFFAOYSA-N 301.411 3.988 0 40 DHAB CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2cccc(C)c2)c1C 6809951 PUHCINBHMPOEJZ-UHFFFAOYSA-N 315.373 3.761 0 40 DHAB CCc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 7214006 MCGVQRXAJXBGJQ-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 7987983 KEJUMTOOVQJLKZ-AWEZNQCLSA-N 319.719 3.719 0 40 DHAB Cc1cc(OCC(=O)NCc2ccccc2C)ccc1Cl 8154314 WLJVGAOYVZQSNH-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB CC(C)c1nnc(SCCCOc2ccccc2C=O)o1 8731629 VFDPXGILUWWCQB-UHFFFAOYSA-N 306.387 3.567 0 40 DHAB CN(C)c1cccc2c([C@H](O)C(F)(F)F)ccc(N(C)C)c12 9096703 JASYAYWJFMJPHC-HNNXBMFYSA-N 312.335 3.568 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccncc3)ccc2c1 9368904 RXDVETYQBWUFJY-CQSZACIVSA-N 320.392 3.663 0 40 DHAB CC(C)c1n[nH]c(SCc2ccc(Br)cc2)n1 9451594 KWSGSLUHPODALE-UHFFFAOYSA-N 312.236 3.983 0 40 DHAB CC(C)NC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 9833716 SBLFHBREJCQFIK-UHFFFAOYSA-N 302.462 3.547 0 40 DHAB CCOc1ccc(CN2CCCCC[C@@H]2c2ccn(C)n2)cc1 12275815 DGYYNZMRWACISA-LJQANCHMSA-N 313.445 3.936 0 40 DHAB COc1ccc(OC)c(N[C@H](C)C(=O)c2c[nH]c3ccccc23)c1 12517177 PRTXSTZMHLZDKA-GFCCVEGCSA-N 324.380 3.868 0 40 DHAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)cc(F)c1 12820587 GVYIPGAHYOVSDJ-VXGBXAGGSA-N 307.262 3.816 0 40 DHAB O=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1)C1CC1 12884396 DQLLCRFCELLOCM-GOSISDBHSA-N 315.800 3.986 0 40 DHAB Cc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 12939623 HUHGDKCLOCANDO-LJQANCHMSA-N 323.440 3.954 0 40 DHAB CCCCN(CCCC)S(=O)(=O)c1ccc(F)cc1F 13939980 VKDYQPTXAIDFID-UHFFFAOYSA-N 305.390 3.556 0 40 DHAB CSc1ncccc1C(=O)N[C@H](C)c1ccc(F)cc1F 14574038 VJAPWOYDYVFCIQ-SECBINFHSA-N 308.353 3.573 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(=O)c2ccccc2o1 15014810 WGEZZNWRLMXFHN-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB O=C1C[C@@H](c2cccs2)Cc2c1cnn2-c1ccccc1F 17032449 MCKYNIHCZLWKJD-NSHDSACASA-N 312.369 3.986 0 40 DHAB Fc1ccc2[nH]cc(CCNC(=S)Nc3ccccc3)c2c1 17052462 WOLTYZLXJAUMIZ-UHFFFAOYSA-N 313.401 3.836 0 40 DHAB CN(C)CCN1C[C@H]2[C@H]3CCCCC3=C3CCCC[C@@H]3[C@H]2C1 19366337 FXNFBJIRFUKCIC-LWYYNNOASA-N 302.506 3.787 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 24050581 MOZBGDPFRIZRLX-CYBMUJFWSA-N 311.410 3.767 0 40 DHAB O=C(Nc1ncccc1O)c1cc2c(s1)-c1ccccc1CC2 24982364 AURVJKGSUAFBSM-UHFFFAOYSA-N 322.389 3.867 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc(C)n1 27975722 ZTIMBWIGCIMULA-QGZVFWFLSA-N 310.397 3.675 0 40 DHAB CCn1nccc1CN(C)C(=O)C1CCC(C(C)(C)C)CC1 28219185 FWYBKVTXQRVCJG-UHFFFAOYSA-N 305.466 3.714 0 40 DHAB CN(CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCc2ccccc21 29483171 WWRKUHFXODCYFX-KRWDZBQOSA-N 314.816 3.898 0 40 DHAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1ccccc1 29873942 DFDIJSUYUFXVCF-SFHVURJKSA-N 318.376 3.505 0 40 DHAB Cc1cccc(NC(=O)CCCc2nc(C(C)(C)C)no2)c1 31206224 RFBKNPKAFMTXPK-UHFFFAOYSA-N 301.390 3.637 0 40 DHAB COc1ccc(-c2nc(COc3cccc(Cl)c3)no2)cc1 31676539 WMHZGNUWLAOJKN-UHFFFAOYSA-N 316.744 3.978 0 40 DHAB CC(=O)NCc1ccc(C(=O)CSc2ccc(C)cc2)s1 31682482 WXAKAYWUNBZRPW-UHFFFAOYSA-N 319.451 3.668 0 40 DHAB Cc1ccnc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 32902511 WRGKFLCNDGQRCF-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB Cc1c(C(F)(F)F)n[nH]c1NC(=O)c1ccc(Cl)s1 40556403 GNKFQOIBGQBXNC-UHFFFAOYSA-N 309.700 3.704 0 40 DHAB Cc1cc(Br)ccc1C(=O)CCCCCC(=O)O 43214135 NWSIAXUGLJCTRU-UHFFFAOYSA-N 313.191 3.975 0 40 DHAB O=C(NCCc1ccccn1)Nc1ccccc1SC(F)F 43552798 AQTHTPXWQQSNOG-UHFFFAOYSA-N 323.368 3.761 0 40 DHAB N[C@H](CC(=O)O)c1ccc(-c2ccc(Cl)cc2Cl)o1 44216538 FJWMZWXCCYEGIP-SNVBAGLBSA-N 300.141 3.728 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)nc1)c1c[nH]c2ccccc12 44920660 AEUJVUFPNVGVBG-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB O=C(Nc1nc(-c2ccccc2)cs1)OCC(F)(F)F 47843660 IIPKPJLCVVWAFH-UHFFFAOYSA-N 302.277 3.921 0 40 DHAB in-vitro CS[C@H](C)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 53406355 IVJZZQKOMMJLKG-LLVKDONJSA-N 318.417 3.674 0 40 DHAB O=C1OCCN1CCCN1CCC[C@@H]1c1cccc2ccccc12 68334012 XCUQEOQUXOWYKB-LJQANCHMSA-N 324.424 3.819 0 40 DHAB Cn1cc(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 71839299 UUICOCZKKDHUAT-CYBMUJFWSA-N 324.346 3.522 0 40 DHAB Cc1cnn([C@@H](C)[C@H](C)NCc2nc3ccccc3s2)c1 72269835 CKVKDJOPQLRVIX-STQMWFEESA-N 300.431 3.541 0 40 DHAB c1ccc2c(c1)CCC[C@@H]2N(CCC1OCCCO1)C1CC1 75092796 LCFFZHWHNZORHB-SFHVURJKSA-N 301.430 3.682 0 40 DHAB C[C@@H](CN[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 75572739 RAISYGIMJPZXCH-RXVVDRJESA-N 308.469 3.697 0 40 DHAB O=C(CN1CCC[C@@H]1c1cccc2ccccc12)N1CCCC1 84598323 NNHFZAOLLIMRMH-LJQANCHMSA-N 308.425 3.599 0 40 DHAB Cc1ccccc1C(=O)NCCCn1ccnc1-c1ccccc1 85554991 YNZCLUBPZSKXKF-UHFFFAOYSA-N 319.408 3.679 0 40 DHAB O=C(Nc1nnc(-c2ccco2)s1)N1CCC[C@@H]1C1CCC1 95349271 RYGGNUXACOBNIC-LLVKDONJSA-N 318.402 3.595 0 40 DHAB CCCC[C@H](CC)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 95350384 BXFUJECZVYCZDB-IFXJQAMLSA-N 314.429 3.596 0 40 DHAB C[C@@H]1C[C@@H]1[C@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1 95409653 QBFAPZJYBWVMFE-XFIWCOJDSA-N 313.466 3.911 0 40 DHAB CC(=O)N1CCC(CCN[C@@H](C)c2cc(C)cc(C)c2)CC1 95969187 VEFGWXSOAYTZJR-INIZCTEOSA-N 302.462 3.603 0 40 DHAB CO[C@H](CNC(=O)CCCc1ccccc1)c1ccsc1 96363249 YUEVCJHMXKYBQL-MRXNPFEDSA-N 303.427 3.575 0 40 DHAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCC(F)(F)F)C1 97014462 BRSSXUUEBBKWCU-VXGBXAGGSA-N 324.387 3.564 0 40 DHAB C[C@@H]1CN(C(=O)Nc2cccc3c2OCCO3)[C@H]1c1ccccc1 97099310 YCHPTXZRSRHHBY-CXAGYDPISA-N 324.380 3.683 0 40 DHAB c1ccc(Oc2cccc(NCc3cnc4cnccn34)c2)nc1 97235419 SIDDCPHDSASHCR-UHFFFAOYSA-N 317.352 3.529 0 40 DHAB Cc1nnc2n1CCC[C@@H]2NCc1ccc(SC(F)F)cc1 97237711 CMBZDNKIIHVKHV-ZDUSSCGKSA-N 324.400 3.526 0 40 DHAB O=C(c1ccoc1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106638382 YTUUAGUYVVANQS-RBUKOAKNSA-N 324.424 3.549 0 40 DHAB Cc1noc(C(F)(F)F)c1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 106921985 LVXGETDQQKLZTD-NQMVMOMDSA-N 304.312 3.556 0 40 DHAB c1ccc(C(c2ccccc2)N2CC(C3CCNCC3)C2)cc1 138661859 OUZJOPREDFXUSB-UHFFFAOYSA-N 306.453 3.707 0 40 DHAB COC(=O)c1cnc(OCC(F)(F)F)c(C2CCCCC2)c1 145990299 KJMHFARMACEBBD-UHFFFAOYSA-N 317.307 3.857 0 40 DHAB COc1ccc(F)c(C(=O)N[C@H](C)c2cc(C)oc2C)c1OC 188326987 ILECFUYKZMLQGM-SNVBAGLBSA-N 321.348 3.544 0 40 DHAB CSc1ccccc1NC(=O)COc1cccc2cccnc12 193820717 DJLSQJUZDDVGHU-UHFFFAOYSA-N 324.405 3.974 0 40 DHAB Cc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222556661 XAPLNVBISUDYAE-IAOVAPTHSA-N 309.438 3.979 0 40 DHAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(C)(C)C)cn1 223882572 COVUSXZCYGGYJO-LBPRGKRZSA-N 306.479 3.545 0 40 DHAB Cc1ccc(CCCNC(=O)Cc2cccc(Cl)c2)cc1 225783523 BPNRDGHXOGKMTN-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1 226254194 WURILGTUCNJEHP-CQSZACIVSA-N 309.413 3.900 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc(N)cc2Cl)cc1 227157968 DHAQISIRWDNXHT-RUDMXATFSA-N 302.761 3.583 0 40 DHAB CCCOc1ccc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)c(C)c1 512601187 DUAKIEASUBIRHI-NVXWUHKLSA-N 305.418 3.783 0 40 DHAB O=C1CCC[C@@H](CSc2nnc3sc4ccccc4n23)C1 585119120 SCPWVSBPCLZZSK-SNVBAGLBSA-N 317.439 3.795 0 40 DHAB Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c(C(F)F)n1 1775971508 RBXGYBSWLLYCSM-STQMWFEESA-N 321.371 3.605 0 40 DHAB O=C([C@H]1CC=CCC1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1776000775 JISNPADNGSTMIU-HNNXBMFYSA-N 321.424 3.653 0 40 DHAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(O)cc3)c2c1 144089 AENXFLNPOUBCED-UHFFFAOYSA-N 308.337 3.779 0 40 DHAB COc1cc(OC)c(C(=O)Nc2ccc(C)c(C)c2)cc1OC 365343 FNDZAHWVAFBPLV-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cccnc1 533370 VHUPNBTVCYEZIU-UHFFFAOYSA-N 314.389 3.791 0 40 DHAB CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ccccc1 1611200 DUHMBCNBIOMFLR-UHFFFAOYSA-N 321.380 3.832 0 40 DHAB COC(=O)c1ccccc1CC1Cc2cc3c(cc2C1)CCC3 1855362 VHBNZKSROKKYTN-UHFFFAOYSA-N 306.405 3.919 0 40 DHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc3ccccc13)C2=O 2660701 IOWSGUMNTHCMGS-VLIAUNLRSA-N 322.408 3.841 0 40 DHAB O=C(NC1CCCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 2661326 AOHGWLYZVBCVCN-GOSISDBHSA-N 317.429 3.697 0 40 DHAB Cc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)o1 3343545 JOVDJRVLWGQGKV-UHFFFAOYSA-N 304.396 3.954 0 40 DHAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1 3386838 WQGIABISNKKJTK-OAHLLOKOSA-N 310.397 3.902 0 40 DHAB COc1ccc(C(C)=O)cc1COc1ccc2ccc(=O)oc2c1 3512354 MPTXHXVNJVPDGB-UHFFFAOYSA-N 324.332 3.583 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccn1 4151087 AOFWXAWCWYRTEA-UHFFFAOYSA-N 318.804 3.519 0 40 DHAB O[C@](c1ccccc1)(c1cccnc1)C(F)(F)C(F)(F)F 4244907 PWLIVSVFFVIWFP-GFCCVEGCSA-N 303.230 3.515 0 40 DHAB CC(=O)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O 5730079 AFOGJAQGTIJRSW-UHFFFAOYSA-N 319.360 3.721 0 40 DHAB O=Cc1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 5777260 NWJCEIGNEUBTHL-UHFFFAOYSA-N 306.317 3.930 0 40 DHAB CCc1ccc(NC(=O)COc2ccc(Cl)cc2C=O)cc1 5877638 CSEZJEWMAHRFQX-UHFFFAOYSA-N 317.772 3.732 0 40 DHAB Cc1ccccc1OCCOc1ccc(Cl)cc1C(=O)O 5943201 MYPCNKUIMDVIFQ-UHFFFAOYSA-N 306.745 3.804 0 40 DHAB Cc1nc(C)c(C(=O)OCc2nc3ccccc3s2)s1 6366625 YBRVLIPAHSWNCY-UHFFFAOYSA-N 304.396 3.727 0 40 DHAB CCCc1n[nH]c(=S)n1NCc1ccccc1C(F)(F)F 7601392 BFNHJZHFLMMNAZ-UHFFFAOYSA-N 316.352 3.656 0 40 DHAB COc1ccc(Cl)cc1C(=O)NC[C@@H](C)c1ccccc1 8168631 GAUIBFPJKMBCNK-GFCCVEGCSA-N 303.789 3.882 0 40 DHAB COc1ccc(OC)c(NC(=O)CCc2ccc(Cl)cc2)c1 10410078 LLXTYCWCPFEGHE-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB Cc1cccnc1NC(=O)CCc1ncc(-c2ccccc2)o1 10430789 UXDLGDRWBIHELP-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB O=C(OCc1ncc(-c2ccccc2)o1)c1c(F)cccc1F 11127919 BPLVRZIBLKFWKX-UHFFFAOYSA-N 315.275 3.977 0 40 DHAB O=C(c1ccccc1)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 12122787 LUYSIHORQMCFAY-UHFFFAOYSA-N 323.371 3.722 0 40 DHAB Cc1sc2nc([C@H](C)N3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c2c1C 13068405 KOUMTNYUKLAYJE-FOGDFJRCSA-N 319.474 3.640 0 40 DHAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 13647120 JXNYKUHIZSNCFE-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB CCOc1ccc(CC(=O)Nc2ccc3oc(C)nc3c2)cc1 14134996 XTRFENJWGHIFTN-UHFFFAOYSA-N 310.353 3.716 0 40 DHAB O=C(NCc1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 14204811 SFKAJRMPVSAJFJ-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB CCCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1 15356952 HQQBTDSWVBMIBU-UHFFFAOYSA-N 317.780 3.609 0 40 DHAB Cc1nc2ccccc2nc1COc1ccc(Cl)cc1C=O 16265345 PTTRKZXDBRUAQO-UHFFFAOYSA-N 312.756 3.983 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)C1CC1 18208060 BGMPDRMGGLVIGR-VIFPVBQESA-N 304.390 3.786 0 40 DHAB COCCOc1cccc(NC[C@H](C)Oc2cccc(C)c2)c1 19737574 FWULYIRIPBQKEO-INIZCTEOSA-N 315.413 3.900 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c(F)c1F 20029700 FOZWBFKRXCSWQT-SECBINFHSA-N 309.287 3.604 0 40 DHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24693534 VVNYVSATMBJDKE-HUUCEWRRSA-N 310.397 3.890 0 40 DHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1 25043588 QRCMUHTTYFRURD-UHFFFAOYSA-N 322.389 3.997 0 40 DHAB O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccco1 28225388 NOAFHYUKFCURFQ-UHFFFAOYSA-N 309.350 3.908 0 40 DHAB CCCn1c2c(c(SCc3ccc(F)cc3)nc1=O)CCC2 28286779 BJLAXGHCFIMINC-UHFFFAOYSA-N 318.417 3.573 0 40 DHAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2C)cc1 29650354 WBJDZVNSPWCBTQ-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB CC(=O)Nc1cccc(-n2cnnc2SCc2ccccc2)c1 32778408 FEOFYSYYWNZAGA-UHFFFAOYSA-N 324.409 3.518 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)C1(C)C 32893109 DXQXIAWJRRIRGI-RDJZCZTQSA-N 313.445 3.859 0 40 DHAB C[C@@]1(C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1(Cl)Cl 32894286 QXPJKGBMPUBWKD-HNNXBMFYSA-N 323.223 3.637 0 40 DHAB CC(=O)Nc1ccccc1Sc1ccccc1NC(C)=O 37638269 ZICFROMPZDSWLU-UHFFFAOYSA-N 300.383 3.755 0 40 DHAB CC(=O)Oc1cccc(C(=O)c2ccc(Br)cc2)c1 43209856 DFHFTMSEVMDBEO-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB c1ccc(OCCOCCN2CCC[C@H]2c2ccsc2)cc1 48249157 ZYUAEPUCSBZUAR-SFHVURJKSA-N 317.454 3.981 0 40 DHAB CCc1ncc(C(=O)N2CCc3sccc3[C@@H]2CC)s1 49158438 UWPSIOSGGVBOBQ-NSHDSACASA-N 306.456 3.917 0 40 DHAB Clc1ccc([C@H](NCc2noc(C3CC3)n2)C2CC2)cc1 53606986 OLJFCGFFVTURFJ-OAHLLOKOSA-N 303.793 3.841 0 40 DHAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H]1c1ccccc1 53794173 QFPJDLBLVRNRQT-GOSISDBHSA-N 318.376 3.505 0 40 DHAB CCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 64787804 YBMMAGABKCBKAL-UHFFFAOYSA-N 311.385 3.702 0 40 DHAB COc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2OC)cc1 69516106 QYENVUVDXJVMSR-UHFFFAOYSA-N 322.364 3.951 0 40 DHAB O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)C1CCC1 69615952 WWCIKYSJSMCPIF-UHFFFAOYSA-N 320.820 3.705 0 40 DHAB O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CCOCC1 69620390 NLYYQJCWJSUECW-QGZVFWFLSA-N 305.393 3.600 0 40 DHAB O=C(Nc1ccsc1)c1ccc(N2CCCCC2=O)cc1 70007331 RULBMEHINPWVKB-UHFFFAOYSA-N 300.383 3.517 0 40 DHAB C[C@H](NC(=O)[C@@H](C)N1CC[C@H](c2ccccc2)C1)c1ccccc1 71844054 DFRMMUMHXXUGPK-QKLQHJQFSA-N 322.452 3.742 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 72214663 KKONAWZIRIQULN-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB O=c1[nH]c(CSc2cccs2)nc2ccc(Cl)cc12 72287054 PZKSBWTZJREEEX-UHFFFAOYSA-N 308.815 3.930 0 40 DHAB C[C@H]1CCC[C@H](C)N1C(=O)CN(Cc1ccccc1)CC(F)F 72308844 KVBJSXZBRISBGO-GJZGRUSLSA-N 324.415 3.543 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccccc3OC(F)F)cc2o1 73952951 DCSNXWYQDDTVDJ-UHFFFAOYSA-N 318.279 3.990 0 40 DHAB C[C@H](c1ccco1)N(C)C(=O)NCCc1cc(F)ccc1F 75092188 ODYCNUKTJSDDRF-LLVKDONJSA-N 308.328 3.503 0 40 DHAB CC(C)c1noc(CNc2ccc(F)cc2OCC2CC2)n1 77246562 VCNZQWRMOWKHSA-UHFFFAOYSA-N 305.353 3.733 0 40 DHAB CSc1ccc(CN[C@@H](Cn2cncn2)c2ccccc2)cc1 77404877 FGLIFOVFUUGLFW-SFHVURJKSA-N 324.453 3.531 0 40 DHAB C[C@@H](Sc1nc(N)cc(N)n1)c1ccc(C(F)(F)F)cc1 78480830 XLFBHXSMODHARP-SSDOTTSWSA-N 314.336 3.513 0 40 DHAB Cc1noc(CCCSc2nc3ccc(Cl)cc3[nH]2)n1 78879579 RCAHBTGXAMSEQC-UHFFFAOYSA-N 308.794 3.633 0 40 DHAB CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)OC)cc1 84736539 GDUZLRGBXVZFNG-GOSISDBHSA-N 323.392 3.623 0 40 DHAB CCn1c([C@@H](CC(C)C)NC(=O)c2cccs2)n[nH]c1=S 85400210 RDNBIWZPCYRZLJ-SNVBAGLBSA-N 324.475 3.539 0 40 DHAB CCC(=O)c1cc(Br)c(O)c(Br)c1 88120939 CLMZWNWFBSBIDB-UHFFFAOYSA-N 307.969 3.510 0 40 DHAB COc1cccc2c1CC[C@H]2N[C@H](C)c1cccc(NC(C)=O)c1 95419636 ASNMCXODCAGPAH-BFUOFWGJSA-N 324.424 3.992 0 40 DHAB Cc1ccccc1CCCN1C(=O)C[C@@](C)(c2ccccc2)C1=O 95448506 ZSXUZBXGYHAMJQ-NRFANRHFSA-N 321.420 3.644 0 40 DHAB CO[C@@H](C)CCOC(=O)c1cc(C)cc(C)c1Br 95943913 WBLMBHHETAPQQY-NSHDSACASA-N 315.207 3.648 0 40 DHAB CCC[C@]1(C)CCCN(c2ncccc2-c2nc(C)no2)C1 95962029 TZGSSOKTFBFTKU-QGZVFWFLSA-N 300.406 3.847 0 40 DHAB CC[C@H](C)Oc1cc(C(=O)N(c2cccnc2)C(C)C)ccn1 95990924 DNPQOSKWZMFMHM-AWEZNQCLSA-N 313.401 3.709 0 40 DHAB Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(Cl)nc2)o1 96431955 JWEMBDCFFOTODU-GFCCVEGCSA-N 322.817 3.567 0 40 DHAB Cc1nc(C[S@@](=O)Cc2ncc(Cl)cc2Cl)cs1 97148582 XWDSMDSTSULPAW-SFHVURJKSA-N 321.254 3.602 0 40 DHAB O=C(NCCc1cccs1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102916714 JNUHTDOOOLILOF-QJRTVWDNSA-N 323.889 3.985 0 40 DHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(F)cc1 113970250 SECDUTGFMUYRSX-GOSISDBHSA-N 315.388 3.916 0 40 DHAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)[C@H](O)[C@@]4(C)CC[C@@H]32)C1 118931553 FTVVRNPVTQSSQO-HCTHPUTCSA-N 318.457 3.504 0 40 DHAB Cc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccc(F)cc3)n2c1 223149384 NWDGKYMJTDNAFO-GFCCVEGCSA-N 311.360 3.581 0 40 DHAB CCN(CC)[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225152214 CURMQRGEQIRBGA-QGZVFWFLSA-N 313.397 3.816 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 225605003 BLASGSUVJOCVJM-CQSZACIVSA-N 321.417 3.790 0 40 DHAB CCCCCNC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 225914016 VVRZRQBMPSDRIN-UHFFFAOYSA-N 312.417 3.757 0 40 DHAB Cc1csc2c(I)cnc(Cl)c12 238554989 JOSBIQQGGPZMLE-UHFFFAOYSA-N 309.559 3.863 0 40 DHAB O=C(O)/C(Cl)=C(\Cl)C=NNc1ccc(F)c(Cl)c1 257353121 PMFGJGLWOAQEMP-HUHORTKNSA-N 311.527 3.651 0 40 DHAB O=C(NC[C@H]1COc2ccccc21)c1ccccc1C(F)(F)F 345484475 OIMBXLPIFOBBSN-NSHDSACASA-N 321.298 3.611 0 40 DHAB O=C(CC[C@@H]1CCOC1)N[C@H]1C[C@H](c2ccccc2Cl)C1 521394403 KBLLLPMTAATKEP-MGPQQGTHSA-N 307.821 3.519 0 40 DHAB CCc1nc(C(C)C)ccc1C(=O)N[C@H]1CC(=O)c2ccccc21 562778942 QXMHZIUTXZTWFF-SFHVURJKSA-N 322.408 3.825 0 40 DHAB CC1(C)C[C@H](N[C@@H]2C[C@@H](N)c3ccccc32)c2cc(N)ccc2O1 572234685 YLTXSPLOMRYZES-KURKYZTESA-N 323.440 3.605 0 40 DHAB c1ccc([C@@H]2COC(c3cccc(-c4ccccn4)n3)=N2)cc1 1988182116 QYXGHXWEYNBAAR-SFHVURJKSA-N 301.349 3.662 0 40 DHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(CC)o2)cc1 352126 VPZQDGFPCVCBCU-UHFFFAOYSA-N 315.369 3.590 0 40 DHAB COc1cccc(CC(=O)Nc2nc(C(C)(C)C)cs2)c1 413631 BAXKOLVWMIYRKS-UHFFFAOYSA-N 304.415 3.630 0 40 DHAB CCOP(=O)(OCC)/C(=C/Cl)NC(=O)c1ccccc1 3156894 XQQPMRLLFNZUDF-ZRDIBKRKSA-N 317.709 3.720 0 40 DHAB COc1ccc(C(=O)Nc2cc(C)ccc2C)c(OC)c1OC 3229510 DYWOAELLCXGWMJ-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB O=C(COC(=O)c1cccnc1Cl)c1cc2ccccc2o1 3239962 FDDQVBXQGVNMCZ-UHFFFAOYSA-N 315.712 3.521 0 40 DHAB COc1cccc(CC(=O)Nc2ccc(OC)c(Cl)c2)c1 3405644 JNDVRANXSCKZTL-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB COc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OC 3481291 OMKJEDYJCYWITO-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB COc1cc2occc2c(OC)c1C1=NN[C@@H](c2ccccc2)C1 3851090 VBXVRYAJXBGWLU-CQSZACIVSA-N 322.364 3.889 0 40 DHAB biogenic CC1(C)[C@@H](OC(=O)c2ccccc2C(=O)O)[C@@]2(C)CC[C@@H]1C2 3953920 JQPMUVLMMAFMKZ-ONUMYQOESA-N 302.370 3.756 0 40 DHAB in-vitro O=C(/C=C/c1ccsc1)OCC(=O)c1ccc2c(c1)CCC2 5198398 ZEBIVPSRSTWGRB-QPJJXVBHSA-N 312.390 3.676 0 40 DHAB CN(C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C\c1ccccc1 5640764 OVQQEGZJIGLKBO-SGUKPQGJSA-N 321.420 3.861 0 40 DHAB Cc1cc(OC[C@@H](O)CN(C)C2CCCCC2)ccc1Cl 6008668 GGVNPHJWWXXEJG-HNNXBMFYSA-N 311.853 3.653 0 40 DHAB CC(=O)c1ccc(OCCN2CCCC[C@H]2c2cccnc2)cc1 6624530 WUYDJMVKDTUGNZ-FQEVSTJZSA-N 324.424 3.890 0 40 DHAB biogenic O=C(CCCc1cccs1)N[C@@H]1CCOc2ccccc21 7218041 PNRHBMAABNFMAS-OAHLLOKOSA-N 301.411 3.711 0 40 DHAB ClC1(Cl)C[C@H]1CSc1nc(-c2ccccc2)n[nH]1 7294325 WOECJLAAHDUCNI-VIFPVBQESA-N 300.214 3.758 0 40 DHAB COc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1F 7360722 YGQSPDMSNXVELX-UHFFFAOYSA-N 323.389 3.759 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCSc2ccccc21 7814057 JYDWSBDJJDYAEP-XJKSGUPXSA-N 313.422 3.807 0 40 DHAB CCOc1ccccc1NC(=O)CNc1ccc(C)cc1F 7973845 NSMUUVJZKQCCKB-UHFFFAOYSA-N 302.349 3.583 0 40 DHAB COc1cc(OC)c(NC(=O)c2ccc(Cl)o2)cc1Cl 8849094 UZNCXWGUOOSFIA-UHFFFAOYSA-N 316.140 3.856 0 40 DHAB COc1cccc(CSc2nc(-c3cccs3)n[nH]2)c1 8942862 BHJITRCFKMDEDY-UHFFFAOYSA-N 303.412 3.834 0 40 DHAB COc1ccc(C)cc1N[C@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 9491115 OOWPNHNGVOBDCJ-QLFBSQMISA-N 304.434 3.594 0 40 DHAB CC(C)CCn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 9926713 ZVKICZIVULTCOR-UHFFFAOYSA-N 314.429 3.715 0 40 DHAB COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1OC 11204714 YKSLKWUTBXHARH-GOSISDBHSA-N 311.381 3.585 0 40 DHAB CCC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 12225630 JQHJFEKOVAUOJP-UHFFFAOYSA-N 314.389 3.664 0 40 DHAB c1ccc2c(NC[C@@H]3CCCO3)nc(-c3ccsc3)nc2c1 13008322 GGSINBWWWPMDCH-ZDUSSCGKSA-N 311.410 3.949 0 40 DHAB Cc1ccsc1CN(Cc1cccc(F)c1F)C[C@@H](C)O 13991640 HCLHKZCODNLRSG-GFCCVEGCSA-N 311.397 3.718 0 40 DHAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(Cl)cc1 14847962 WLIZOHRBYHEHQA-UHFFFAOYSA-N 311.772 3.707 0 40 DHAB COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OC(C)C 15797159 IVVRSBQBAHTFRP-ZFWWWQNUSA-N 305.418 3.791 0 40 DHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)cc(F)c1 16149019 UWFDGLHDDHFRCK-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Fc1ccc(-n2nnnc2-c2c[nH]c3ccc(Cl)cc23)cc1 16429828 RAXKJGWBLJKQDI-UHFFFAOYSA-N 313.723 3.603 0 40 DHAB Cc1ccc(/C=C(/c2ccccc2)[C@H](CC(=O)O)C(=O)O)cc1 17351880 ZRVAPWLEIGHBCB-NIFLVVHWSA-N 310.349 3.711 0 40 DHAB COc1ccc(CN2C(=O)CS[C@@H]2c2ccccc2F)cc1 19927303 ZMPWUKBCFVFIMZ-QGZVFWFLSA-N 317.385 3.609 0 40 DHAB CCCN1CCC(Nc2ncnc3c2oc2ccccc23)CC1 32743509 SILCNWZZEWMUKR-UHFFFAOYSA-N 310.401 3.662 0 40 DHAB C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CC/C(=C/CO)CO 35455470 NNDLUXBYTPAACV-JDPHGFFSSA-N 324.505 3.671 0 40 DHAB biogenic,in-vitro CSc1ccccc1NC(=O)c1csc(-n2cccc2)n1 38490405 VVHPUQLOFICBCF-UHFFFAOYSA-N 315.423 3.908 0 40 DHAB O=C(CNc1ccccc1Oc1ccccc1)NCC(F)(F)F 39972127 IJBVWEPOMJZGQC-UHFFFAOYSA-N 324.302 3.569 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1C1CCCC1 40160007 IILHUVPGPQLQCV-LBPRGKRZSA-N 317.364 3.543 0 40 DHAB CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(C)on2)s1 43013728 ZTVSGVFBGVYLJM-ZDUSSCGKSA-N 319.430 3.678 0 40 DHAB Cc1ccc(-c2cc(C(=O)N(C)C(C3CC3)C3CC3)on2)cc1 50400193 ISNRTFKQDLWTAA-UHFFFAOYSA-N 310.397 3.911 0 40 DHAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 58183708 CYAZDZCKJXCXFN-BFYDXBDKSA-N 301.434 3.556 0 40 DHAB Cc1ccc(C(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1 67206280 UNYFZFVRUYSXKY-UHFFFAOYSA-N 322.452 3.617 0 40 DHAB COc1cccc(NC(=S)Nc2ccc(OC)c(F)c2)c1 71325878 BRQYMXMJFLUERI-UHFFFAOYSA-N 306.362 3.652 0 40 DHAB Clc1ccc(-c2nnc(SCCCc3cn[nH]c3)o2)cc1 71916366 STWDFMDAWSNKJW-UHFFFAOYSA-N 320.805 3.838 0 40 DHAB O=C(O)/C=C/c1ccc(Oc2ccc(Br)cc2)o1 72228417 ZTUZSXHEUKBDGP-FNORWQNLSA-N 309.115 3.932 0 40 DHAB C[C@@H]1CCCCN1C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 72243373 XBZDNODQYWMHQJ-SECBINFHSA-N 311.307 3.596 0 40 DHAB C/C(=C/c1ccccc1)CNCCc1nc2ccc(F)cc2n1C 72289945 PFEFJIDKWRJXNX-QINSGFPZSA-N 323.415 3.948 0 40 DHAB Cc1noc(C(F)(F)F)c1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 72308018 LVXGETDQQKLZTD-KHQFGBGNSA-N 304.312 3.556 0 40 DHAB CC(=O)N1CCC[C@H]1CCc1ccc(-c2cccc(C)c2C)nn1 72365879 ZACTZGHPASMWSA-SFHVURJKSA-N 323.440 3.704 0 40 DHAB C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 76988323 MUOOOORKZRJDPL-KXBFYZLASA-N 323.440 3.805 0 40 DHAB C[C@H](CCSc1ccccc1)Sc1ncc(CO)n1C 89895663 DVNZLBOEVBTMHO-GFCCVEGCSA-N 308.472 3.575 0 40 DHAB C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1ccncc1 89910273 YARWNZUQUFWRRT-ZDUSSCGKSA-N 319.355 3.620 0 40 DHAB CCOc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1OCC 95396274 FFQCYICMJSEVQK-UHFFFAOYSA-N 317.389 3.514 0 40 DHAB CC(C)C[C@H](NC1CCN(C(=O)c2ccco2)CC1)C(C)(C)C 95462759 ZELPLMKZFHTVKX-KRWDZBQOSA-N 320.477 3.935 0 40 DHAB COc1cc(-c2ccnc3c(-c4ccccc4)cnn23)ccc1O 95477477 WXRWLHIDXSBYRJ-UHFFFAOYSA-N 317.348 3.778 0 40 DHAB COc1ccc2cc(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)ccc2c1 95634430 FHBOBYTUBMBGEJ-SJORKVTESA-N 312.365 3.922 0 40 DHAB COc1ccc(NC(=O)NC[C@H](OC)c2ccc(C)s2)cc1 96104877 YSAFLYMBKHFTSQ-AWEZNQCLSA-N 320.414 3.574 0 40 DHAB O=C(C[C@@H]1CCOC1)Nc1ccc(CNc2ccccc2)cc1 96449981 ZMCFDVYMWREFRK-INIZCTEOSA-N 310.397 3.664 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1C 101275276 WVKLJMBBSQHUOS-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CN1CCC(CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1 120222239 FOHAEYILKAESDF-UHFFFAOYSA-N 322.452 3.815 0 40 DHAB COc1ccc(CCNC(=O)c2cc3cccc(C)c3o2)cc1 148150290 QBLNYGMCWSIKMF-UHFFFAOYSA-N 309.365 3.722 0 40 DHAB Cc1ccccc1COc1ccc(-c2nnc(N)o2)cc1Cl 216815922 XZNUCDHQVWSNLO-UHFFFAOYSA-N 315.760 3.860 0 40 DHAB COC(=O)C(C)(C)N1c2c(OC)cccc2C(C)=CC1(C)C 223206154 GUAUANIHCGDEOZ-UHFFFAOYSA-N 303.402 3.649 0 40 DHAB CC(C)(C)SCCNC(=S)Nc1c(F)cccc1F 225351304 IDQWJXCCDANAFS-UHFFFAOYSA-N 304.431 3.783 0 40 DHAB Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCCC1 226266489 KYLUIDSPEMWHDD-UHFFFAOYSA-N 313.376 3.651 0 40 DHAB C[C@@H](c1cccc2ccccc12)N(C)C(=O)C1CCC(O)CC1 252494483 NXBZEIFMWJMDJI-OOHWJJMZSA-N 311.425 3.910 0 40 DHAB Nc1cccc(CC(=O)NC2CCC(c3ccccc3)CC2)c1 261625410 BJKNFHFGUPVFMH-UHFFFAOYSA-N 308.425 3.654 0 40 DHAB O[C@H](COc1cccc(-c2nccs2)c1)CC(F)(F)F 280394655 FWSLXWZICLCGML-JTQLQIEISA-N 303.305 3.502 0 40 DHAB Cc1ncc(CNC2(c3cccc(Cl)c3)CCCC2)n1C 515073225 NQJKCQLBUGTNGD-UHFFFAOYSA-N 303.837 3.941 0 40 DHAB Clc1ccc2c(-c3cccc([C@H]4CCCNC4)n3)cnn2c1 585262817 IOAYJYRITFYHBR-LBPRGKRZSA-N 312.804 3.517 0 40 DHAB Cc1[nH]nc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c1C 604320666 LQFHIRHFHQKNCN-UHFFFAOYSA-N 324.211 3.752 0 40 DHAB Cc1ccc(-n2nnnc2-c2c[nH]c3cc(Cl)ccc23)cc1 153776 VTFOZRKPVUJENM-UHFFFAOYSA-N 309.760 3.772 0 40 DHAB CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C)cc1 227399 FUIYPDRQSRAYRZ-UHFFFAOYSA-N 303.383 3.794 0 40 DHAB COc1ccc(-c2[nH]nc(C)c2-c2csc(C)n2)c(O)c1 1278956 QXCGQOMEAXUEGJ-UHFFFAOYSA-N 301.371 3.531 0 40 DHAB CCCC[C@H](S[C@@](CC)(C(C)=O)c1ccccc1)C(N)=O 1705165 SCPUGINXZWJRNA-RDJZCZTQSA-N 307.459 3.658 0 40 DHAB Cc1c(C(=O)NCC(C)C)oc2ccc(Br)cc12 2616519 ULGPECHGZGPLDS-UHFFFAOYSA-N 310.191 3.890 0 40 DHAB Cc1cc(NC(=O)c2ccccc2OCc2ccccc2)no1 3226041 IMHGZKIUQYLPAU-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccccc1F 3327917 NZMSPTLXXXMNCW-AWEZNQCLSA-N 300.377 3.593 0 40 DHAB O=C(CSc1ccc(F)cc1)Nc1ccc(F)c(F)c1F 4414809 VABFVLKERQVQMX-UHFFFAOYSA-N 315.291 3.974 0 40 DHAB Clc1ccccc1CSc1nc(-c2ccncc2)n[nH]1 4739724 QYNKDCXYTWISFX-UHFFFAOYSA-N 302.790 3.812 0 40 DHAB COc1ccc(Cl)cc1NC(=O)COc1ccc(F)cc1 6153116 ZFPSFLOXSFMMTG-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C 6207816 JAPXGUWIHBKTBN-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1cccc(Cl)c1)S[C@@H](C)C(=O)N2 6678482 FFGOKLQQCUJGBX-QPUJVOFHSA-N 307.806 3.535 0 40 DHAB CCCCCc1nnc(NC(=O)c2cccnc2SC)s1 7814047 UULHUEUINSSYOA-UHFFFAOYSA-N 322.459 3.640 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 7882137 KFHMEAUNMXFCRG-NVXWUHKLSA-N 322.408 3.543 0 40 DHAB COc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1OC 8111643 JBNAXLSBVOQMKV-UHFFFAOYSA-N 313.397 3.757 0 40 DHAB CC(=O)c1ccc2nc(C)c(CN3CCCCCC3)c(O)c2c1 8717268 AGPGZIABSRTLFE-UHFFFAOYSA-N 312.413 3.827 0 40 DHAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3F)ccc2o1 9364706 UENSCFYWBBTTSU-JTQLQIEISA-N 313.332 3.714 0 40 DHAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 9445946 ODYDTHMJHNEIEZ-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12221914 SKWZQUCVINMEAW-HNNXBMFYSA-N 311.410 3.531 0 40 DHAB Cc1cc(C)c2c(CN3CCc4ccccc4C3)cc(=O)oc2c1 12445423 IUEMWJYKAIDIHO-UHFFFAOYSA-N 319.404 3.968 0 40 DHAB biogenic,in-vitro Cc1cccc(O[C@H](C)C(=O)N(C)c2nc3ccccc3o2)c1 12860372 RTVFWKAPSRRTRI-CYBMUJFWSA-N 310.353 3.567 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(O)c(Cl)c1 12889179 CSAQFZKGPJATMW-LBPRGKRZSA-N 303.789 3.797 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N2CCc3sccc3C2)c1 12907919 DRAYECJIJAIVPR-UHFFFAOYSA-N 321.829 3.674 0 40 DHAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2nccs2)cc1 13012917 JAURDGBWFHQNEH-UHFFFAOYSA-N 322.389 3.935 0 40 DHAB O=C(Cc1csc(-c2cccc(F)c2)n1)NC1CCCCC1 14076801 JQFHLLBSYQQULK-UHFFFAOYSA-N 318.417 3.941 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2OC)cc1 15471790 LHTWRXHUFOVSKM-UELRPHRMSA-N 311.381 3.594 0 40 DHAB Cc1[nH]c(C(=O)NC2CCCCCC2)c(C)c1C(=O)OC(C)C 17297984 JZUNTMABESTPLG-UHFFFAOYSA-N 320.433 3.649 0 40 DHAB Cc1nn2c(=O)cc(Cc3ccccc3)[nH]c2c1-c1ccccc1 18117100 WRSPQUNKPVFOQH-UHFFFAOYSA-N 315.376 3.589 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1 20494130 JWINSIOABDGTJA-HNNXBMFYSA-N 315.388 3.835 0 40 DHAB CCOc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)NCC2 20507127 OIHYWHDYXMCANR-SFHVURJKSA-N 317.816 3.982 0 40 DHAB COc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1Br 22124674 OIKJBZNLKPJRKE-UHFFFAOYSA-N 318.174 3.583 0 40 DHAB CC(C)(C)c1nnc2sc(-c3cc(-c4ccccc4)n[nH]3)nn12 22504722 MWPTUNIHNMOMCJ-UHFFFAOYSA-N 324.413 3.540 0 40 DHAB O=C(NC1CC1)C1(c2ccc(Br)cc2)CCCC1 24592833 DDFYZOVXXNBAIK-UHFFFAOYSA-N 308.219 3.540 0 40 DHAB c1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1 25249598 USEUFOGOJQXSHI-UHFFFAOYSA-N 307.397 3.904 0 40 DHAB COc1ccc(CCNC(=O)CCc2ccccc2Cl)cc1 29697396 FNKDJXOHVNCKGH-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(F)cc(F)c1 32842528 BAFCHJXMJAXBLL-UHFFFAOYSA-N 321.371 3.615 0 40 DHAB COc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccccc1F 33337511 HCFPPNVCVBFSTO-HJWRWDBZSA-N 303.289 3.661 0 40 DHAB CC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C(C)C)cccc21 39198770 JHGYMRJCQPQYJB-GOSISDBHSA-N 301.386 3.944 0 40 DHAB in-vitro Cc1cc([C@H]2CCCN2C(=O)c2cc(C)n(C(C)C)c2C)no1 44633676 VIOFTKNPQRDJKS-QGZVFWFLSA-N 315.417 3.960 0 40 DHAB CCCOC(=O)c1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 48020405 HNYYUHRAROFXIY-ZDUSSCGKSA-N 304.390 3.517 0 40 DHAB O=C(CCCC1CCCCC1)N1CCN(c2nccs2)CC1 54485304 VRBXVMCNOVDPQA-UHFFFAOYSA-N 321.490 3.542 0 40 DHAB CCn1nc(C)c(C(=O)Nc2ccc(C)c3ncccc23)c1C 69583369 JJENFNDAEQQFTF-UHFFFAOYSA-N 308.385 3.629 0 40 DHAB Cc1ccc(-c2nc(CNCC(C)(C)CN(C)C)cs2)cc1 71794395 LJEPTZAQJNKACN-UHFFFAOYSA-N 317.502 3.796 0 40 DHAB Cc1cn(-c2ccccc2)nc1NC(=O)N(C)Cc1ccccc1 71883806 MSSXSHLMILZUSC-UHFFFAOYSA-N 320.396 3.845 0 40 DHAB CC(C)c1nnc(CN2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)o1 71893639 RDLASEBARFDUEJ-JKIFEVAISA-N 315.417 3.544 0 40 DHAB C/C(=C\c1ccccc1)CNC1CCN(Cc2ccccn2)CC1 71924544 UPGZZTZWZPTCJV-OBGWFSINSA-N 321.468 3.739 0 40 DHAB Cc1nc(N2CCCCCC2)ccc1CNC(=O)OC(C)(C)C 72224568 IOPINFBOZQZVBW-UHFFFAOYSA-N 319.449 3.795 0 40 DHAB O=C(Nc1ccnn1C1CCCCC1)C1=Cc2ccccc2OC1 78999142 HTHADDCXIYBQHF-UHFFFAOYSA-N 323.396 3.803 0 40 DHAB Cc1cc(N[C@@H](C)c2cccc3ccccc23)n2ncnc2n1 84109967 YBCDZTQANKKANH-ZDUSSCGKSA-N 303.369 3.759 0 40 DHAB Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2nnc(C3CC3)s2)s1 89656444 BUTJRPHMCHOHGY-NXEZZACHSA-N 305.428 3.528 0 40 DHAB COc1ccc(Cn2c(=S)[nH]c3c(Cl)nccc32)cc1 91301740 FAYGWNFJDORJPY-UHFFFAOYSA-N 305.790 3.804 0 40 DHAB Cc1cc(NCCc2ccc3c(c2)OCO3)nc2ccccc12 95390041 IXQMWMSLYFCSDA-UHFFFAOYSA-N 306.365 3.927 0 40 DHAB Cc1csc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)n1 95430868 IKSBLPFCNNKNGE-UHFFFAOYSA-N 320.418 3.806 0 40 DHAB C[C@@H](C[C@@H](C)NCCc1ccccc1F)NC(=O)OC(C)(C)C 95455502 OEFKDZZTXCQPOH-KGLIPLIRSA-N 324.440 3.650 0 40 DHAB CCN(CC(=O)NC(C)C)C1c2ccccc2-c2ccccc21 95950319 FLUAZKBTXFJYRS-UHFFFAOYSA-N 308.425 3.603 0 40 DHAB CC(=O)c1c[nH]c(C(=O)NCC2(c3cccc(C)c3)CCCC2)c1 95966240 YMUGHCKFSIGPCH-UHFFFAOYSA-N 324.424 3.768 0 40 DHAB COc1ccc(CN2CC[C@@H](OC)[C@@H]2Cc2ccccc2)cc1 96061576 FJLMUHBVMNEAFZ-VQTJNVASSA-N 311.425 3.527 0 40 DHAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 96251698 QZUYAYWAOMDRRT-LNLFQRSKSA-N 324.424 3.530 0 40 DHAB CCn1cc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)cn1 96447566 YWVHRZBLODWUDU-OAHLLOKOSA-N 306.413 3.816 0 40 DHAB C[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Oc2ncccn2)cc1 96466362 KAMUVTIPNFEYKY-BETUJISGSA-N 312.373 3.674 0 40 DHAB Cc1cccc(NCc2ccc(COC3CCOCC3)cc2)n1 97163386 UVPDOZVNBDDEKG-UHFFFAOYSA-N 312.413 3.698 0 40 DHAB Clc1ncccc1CNCc1cc(Br)cs1 105420193 NMMQWONXYFPELX-UHFFFAOYSA-N 317.639 3.849 0 40 DHAB Cc1cnccc1NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 120713786 UIPLYXCTXLTTNX-NSHDSACASA-N 321.327 3.874 0 40 DHAB CO[C@@H](C(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1 156788279 GGBSPYQBIMWYGQ-MRXNPFEDSA-N 308.337 3.668 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCCCCC1 224178250 KMNKDVHWYOXMRG-OAHLLOKOSA-N 301.430 3.735 0 40 DHAB CCOCCCNC(=S)Nc1ccc2nc(CC)sc2c1 225207597 OCRCCRJFVDWZHA-UHFFFAOYSA-N 323.487 3.572 0 40 DHAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(F)cc2)c1 226255017 ZEJZVKOJXSQSLZ-UHFFFAOYSA-N 313.376 3.651 0 40 DHAB CC(C)N1CCC(c2nccnc2-c2cnn(C(C)C)c2)CC1 257283406 OYDVXJVDNPMGBH-UHFFFAOYSA-N 313.449 3.509 0 40 DHAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)cn1 257295676 QZKNTNWPAMFMFC-INIZCTEOSA-N 312.388 3.624 0 40 DHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)o3)N21 260778596 RSWOZDZCZVVNTK-KCXAZCMYSA-N 313.426 3.962 0 40 DHAB CC1(C)OC[C@H]2C[C@@]21NC(=O)Nc1ccc(C2CCC2)cc1 529084361 BJIDWOKGWGKCCI-RDTXWAMCSA-N 300.402 3.643 0 40 DHAB Cc1cc(OC[C@@H]2CCCN(c3ccncc3Cl)C2)ccn1 1776001457 UGCDHUREZHSNDP-CQSZACIVSA-N 317.820 3.734 0 40 DHAB CCc1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)ncn1 1888897730 SBYCYBYPYMQKAP-UHFFFAOYSA-N 324.409 3.723 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)c1ccccc1 38402 YKMGPPPSYZTKCI-CYBMUJFWSA-N 303.789 3.905 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)cc1 72433 IZICSYDYKXABAC-UHFFFAOYSA-N 318.376 3.979 0 40 DHAB O=C(NC1CCCCCCC1)c1ccc(N2CCCC2=O)cc1 260281 AZIUWQSWCCUDSQ-UHFFFAOYSA-N 314.429 3.656 0 40 DHAB O=C(O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 277191 QQEMETRBLNFBGU-UHFFFAOYSA-N 319.744 3.936 0 40 DHAB Cc1ccc(O)c(NC(=O)c2ccc(Br)cc2)c1 1017168 HUUFJSCITNKSIY-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB Cc1cccc(N2C(=O)S[C@@H](Nc3ccccc3F)C2=O)c1 2416788 QLNPFRFNBDAEHX-CQSZACIVSA-N 316.357 3.772 0 40 DHAB COc1ccccc1OCCC(=O)OCc1ccc(Cl)cc1 3261899 SYSMKUMZAOQUPG-UHFFFAOYSA-N 320.772 3.861 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)Oc2ccccc2Cl)c1 3286899 WJLDRVPZCOTIPX-JXMROGBWSA-N 318.756 3.976 0 40 DHAB Cc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2s1 3326401 ZIEDBHZANPUQSY-UHFFFAOYSA-N 322.386 3.545 0 40 DHAB COc1ccc(NC(=S)NCc2ccccc2)cc1Cl 3328512 AUEROHIVYQRSIU-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB Cc1ccc(CN[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 3338311 CJHGXPOGHWPUIO-LBPRGKRZSA-N 320.795 3.904 0 40 DHAB CCOc1ccc([C@@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 4934813 MNYJQKCSJIWMBZ-BXWFABGCSA-N 303.446 3.631 0 40 DHAB NC(=O)/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2s1 5949171 AYDHEKSZXZXOSZ-FMIVXFBMSA-N 314.797 3.976 0 40 DHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](O)c1ccccc1 6409026 SRJZGAYISXWETC-NHYWBVRUSA-N 304.777 3.584 0 40 DHAB CN(CC(=O)Nc1cccc(F)c1)[C@@H]1CCCc2ccccc21 8126908 NTZIHQKVYFVHCK-GOSISDBHSA-N 312.388 3.774 0 40 DHAB O=C1N[C@@H](c2ccc(-c3ccccc3F)o2)Nc2ccccc21 9220578 IIOBCQVVUCXKLW-KRWDZBQOSA-N 308.312 3.940 0 40 DHAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2O)cc1OC 9390144 QRPCAPOQJYYTTG-UHFFFAOYSA-N 321.760 3.705 0 40 DHAB CCCC[C@@H](CC)CNC(=O)CC(C)(C)CC(=O)N1CCCC1 9763572 MCQDBQKESFBKHK-MRXNPFEDSA-N 324.509 3.748 0 40 DHAB Cc1cccc(-n2[nH]c3nccc(-c4ccccc4C)c3c2=O)c1 10157171 AODUWTGMZOWFOU-UHFFFAOYSA-N 315.376 3.998 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503778 UZWBECPRXUNDMK-AWEZNQCLSA-N 323.371 3.722 0 40 DHAB O=C(NCCCOCc1ccccc1)c1cccc2ncccc12 12923834 JSZOPECNENPTLK-UHFFFAOYSA-N 320.392 3.572 0 40 DHAB Cc1nc2cc(NC(=O)Cc3ccccc3Cl)ccc2o1 15567742 YLSDOWGPGVZAKZ-UHFFFAOYSA-N 300.745 3.971 0 40 DHAB CC1CCN(Cc2c(-c3cccnc3)[nH]c3cccnc23)CC1 19718036 LTZCPHYRMORSQT-UHFFFAOYSA-N 306.413 3.857 0 40 DHAB CCSc1ccccc1NC(=O)Cc1ccc(OC)cc1 20456710 HMCKSJDWKYIKIP-UHFFFAOYSA-N 301.411 3.988 0 40 DHAB CCn1nccc1CN(C)C(=O)Nc1cccc2ccccc12 28219332 IDXUZWMIFDIBLM-UHFFFAOYSA-N 308.385 3.720 0 40 DHAB CC(C)Cc1ccc([C@H](NC(=O)c2cnn(C)c2)C(C)C)cc1 32769107 VLQHGSAIPXIPEK-GOSISDBHSA-N 313.445 3.746 0 40 DHAB Clc1ccc(-c2cn3nc(Br)sc3n2)cc1 36939234 HLJNVHZYIKUAMG-UHFFFAOYSA-N 314.595 3.874 0 40 DHAB in-vitro CN(C(=O)CN1CCC[C@H]1c1ccsc1)c1ccccc1 46089164 YGIPZEAJZSYABL-INIZCTEOSA-N 300.427 3.548 0 40 DHAB Cc1ccc(Nc2nnnc3c2cnn3-c2ccccc2)c(C)c1 49029836 YNGMGKBYKQGRIZ-UHFFFAOYSA-N 316.368 3.571 0 40 DHAB Fc1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 49586917 UQIFLQOMOIWZCW-UHFFFAOYSA-N 318.355 3.923 0 40 DHAB COc1c(Cl)cc(C(=O)Nc2cccc(N)c2)cc1Cl 57340208 UTJCYVYEGRIBGB-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cn1ccc2c(NCc3nc(Cc4ccccc4)no3)cccc21 65535796 STRRXIWOTQUXGC-UHFFFAOYSA-N 318.380 3.764 0 40 DHAB C[C@@H](CC[C@H]1CCCO1)NC(=O)/C=C/c1ccnc2ccccc12 71910547 OUAATNTVCPGAJT-XROZVPOQSA-N 324.424 3.712 0 40 DHAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(F)cc1 72050578 VZWBCJJVUDLYCA-MRXNPFEDSA-N 322.424 3.705 0 40 DHAB CNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c(C)n1 72219137 VBNBIFZHOUVEMM-QGZVFWFLSA-N 309.413 3.799 0 40 DHAB CN(CC(C)(C)O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 83568040 UTKQUXDCFBYVFA-UHFFFAOYSA-N 324.730 3.593 0 40 DHAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@@H]1c1ccncc1 84615109 TVYUPJFAINYETC-XQPWLTOXSA-N 310.441 3.817 0 40 DHAB O=C(OC1CCCC1)N1CCN(C2CC2)C[C@H]1c1ccccc1 85472654 ZLSAUTLPGFPTBO-SFHVURJKSA-N 314.429 3.587 0 40 DHAB O=C(c1csnn1)N1CCCc2cc(-c3ccccc3)ccc21 89851198 UBRXQVLRAFPORY-UHFFFAOYSA-N 321.405 3.798 0 40 DHAB Cc1nncn1-c1cccc(NC(=O)c2coc3ccccc23)c1 95450806 ARXYZGYZHOXCFL-UHFFFAOYSA-N 318.336 3.574 0 40 DHAB COc1ccc(CNc2cc(-c3ccco3)n[nH]2)cc1Cl 95472052 ZRTMPFCXFIXUIK-UHFFFAOYSA-N 303.749 3.944 0 40 DHAB Cc1cccn(Cc2cc(Br)ccc2Cl)c1=O 95958884 UAUZROSKXIWYQA-UHFFFAOYSA-N 312.594 3.621 0 40 DHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cnccc1OC 95963605 AVKOBOJCOXTKJK-ZDUSSCGKSA-N 320.776 3.540 0 40 DHAB CC(C)[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccncc1 97212499 DWEKJSKYMRXZNL-SJORKVTESA-N 301.434 3.753 0 40 DHAB CCc1ccc([C@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1 101024752 CJYUEDSGXPBCIC-GOSISDBHSA-N 317.396 3.600 0 40 DHAB CC(C)Oc1ccc(NC(=O)N2CCSCC2)c(Cl)c1 187244536 HKZNUFQDEAXAGQ-UHFFFAOYSA-N 314.838 3.708 0 40 DHAB CC1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)CC1 223067019 QVCSQTFBNWQFQE-OAHLLOKOSA-N 301.430 3.591 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224620549 PQWCQIFVWUQVLT-MRXNPFEDSA-N 323.436 3.958 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OC)cn1 225885573 IODHIFWITCBYDM-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB COc1cc(C)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1 225959819 OITHUCMVRZYOBQ-UHFFFAOYSA-N 316.788 3.722 0 40 DHAB Cc1cc(NC(=O)c2ccccc2F)cc(Br)c1O 226242806 XYZYRBGVRAUBRO-UHFFFAOYSA-N 324.149 3.855 0 40 DHAB CCOc1nn(C)c2ccc(NC(=O)CCC3CCCC3)cc12 227164321 UDRDNNAFBKQNAM-UHFFFAOYSA-N 315.417 3.881 0 40 DHAB CCOC(=O)[C@@]12CC=CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 257240678 HUQNCDPHZPUAEO-KSSFIOAISA-N 323.433 3.676 0 40 DHAB CCCCCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257299081 RORHTAPRWLBERA-QZTJIDSGSA-N 306.494 3.822 0 40 DHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CCCNC2)n1 257314827 UYQHGSQPEJOQFO-ZDUSSCGKSA-N 302.447 3.674 0 40 DHAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1O 331922366 LSNREPSJCKGGGS-GOSISDBHSA-N 323.392 3.881 0 40 DHAB CCCOc1ccc(C(=S)NCc2ccc(OC)cc2)cc1 408572788 IICNAUITMOZURZ-UHFFFAOYSA-N 315.438 3.949 0 40 DHAB C[C@@H]1O[C@H](C)[C@H](c2nc(-c3ccc(C(F)F)nc3)no2)[C@@H]1C 528220263 NTYIKNPEUUWUTR-JXVAYASWSA-N 309.316 3.596 0 40 DHAB COC(=O)CCCC(=O)c1ccc(C(F)(F)F)cc1Cl 575361450 GGUQAIHARNZZOT-UHFFFAOYSA-N 308.683 3.885 0 40 DHAB Cc1ccccc1OCC(=O)NCC(C)(C)c1ccsc1 1565519715 XMMYZLPUBSDHFN-UHFFFAOYSA-N 303.427 3.529 0 40 DHAB Cc1cc(C)c2c([C@@H]3Oc4ccccc4[C@H]3O)cc(=O)oc2c1C 490060 LWUSYRIVKKUHAD-QUCCMNQESA-N 322.360 3.885 0 40 DHAB biogenic CCOc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1 529823 CTWBSLRVLSAVNF-UHFFFAOYSA-N 312.354 3.512 0 40 DHAB Cc1cc(C)n([C@H]2CCCC[C@@H]2OC(=O)c2ccccc2F)n1 554842 AUHRYULJCBPMPG-IRXDYDNUSA-N 316.376 3.980 0 40 DHAB CCCN(C(=O)C1CC1)c1nnc(-c2ccccc2C)s1 1345284 JCCHXFFCHWTWMQ-UHFFFAOYSA-N 301.415 3.667 0 40 DHAB COc1cc(/C=C/C(=O)Nc2nccs2)ccc1OC(C)C 1945490 UNRPTDDHXRMRRJ-FNORWQNLSA-N 318.398 3.591 0 40 DHAB O=C(c1cc(F)c(F)c(F)c1)c1ccccc1CN1CCC1 2515641 OAISJLJOSNBTJW-UHFFFAOYSA-N 305.299 3.541 0 40 DHAB Cc1cccc(NC(=O)c2nnn(-c3ccccc3F)c2C)c1C 2713216 JKAAAKXGFLNPFC-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB Cc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1 3528529 HBNZAEDCKIVDHH-UHFFFAOYSA-N 313.382 3.651 0 40 DHAB COc1ccc(OCCCC(=O)Nc2ccc(F)cc2F)cc1 3611264 RILAGOXCYPHCBQ-UHFFFAOYSA-N 321.323 3.771 0 40 DHAB O=C1c2ccccc2-c2ccccc2[C@]1(O)Cc1ccccc1 4114119 AZCWGXTZLLEBKV-OAQYLSRUSA-N 300.357 3.980 0 40 DHAB C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4174202 XNBAAZXHOCDGQL-LOUOBPJHSA-N 322.191 3.695 0 40 DHAB CCOCCN(CC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 5699558 AYGOMERSBRPVHA-VQTJNVASSA-N 313.441 3.820 0 40 DHAB COc1ccccc1C(=O)O[C@@H](C)C(=O)c1ccc(C)c(C)c1 5838074 PDVJBXVUIKXKPQ-AWEZNQCLSA-N 312.365 3.740 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1c(C)cccc1C 6479150 GHTWPKIVAWFZEY-VAWYXSNFSA-N 311.381 3.973 0 40 DHAB O=C(Cc1ccccc1F)Nc1nc(-c2cccnc2)cs1 6508223 JICNPBKPOBRLLG-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB Cc1cccc(NC(=O)CSc2nc(C)c(C)c(C)n2)c1C 7253343 ZTNRQIUDYYOERK-UHFFFAOYSA-N 315.442 3.750 0 40 DHAB O=C(NCCc1ccccc1)c1ccc(N2CCCCC2)cc1 7504562 LTNUJQKGAFDGML-UHFFFAOYSA-N 308.425 3.649 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 8477719 ZEQLINWEMKCTGZ-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB Cc1cccc(NC(=O)/C=C/c2cc(F)cc3c2OCOC3)c1 8936321 JGCQPVYSUKQDAD-AATRIKPKSA-N 313.328 3.653 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 9447778 ZMGXXYNPBDEXGB-CQSZACIVSA-N 322.408 3.868 0 40 DHAB CCCn1c(O)c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 13124353 CDLVPPLOIONHKS-UHFFFAOYSA-N 319.364 3.660 0 40 DHAB COc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1 13126241 RRNGOHJGOKLDDI-UHFFFAOYSA-N 310.353 3.775 0 40 DHAB O=C(NCCCN1CCc2ccccc21)c1ccc(Cl)cc1 13647521 TZTXCVWQDCQZRX-UHFFFAOYSA-N 314.816 3.523 0 40 DHAB O=C(NC1CCCC1)c1ccc2nc(-n3cccc3)sc2c1 13656392 YWCAQZXNPSVLGW-UHFFFAOYSA-N 311.410 3.759 0 40 DHAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 13709624 QQBLMMCOWWXYPW-NSHDSACASA-N 305.761 3.755 0 40 DHAB CCN(CC(=O)NCc1cccs1)Cc1ccc(Cl)cc1 15295334 ORCCEEZUJNINHA-UHFFFAOYSA-N 322.861 3.540 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCCOc1ccccc1 15555042 XPDOPPQYTFDJSU-ZHACJKMWSA-N 301.773 3.548 0 40 DHAB O=C(COc1ccccc1Cl)NCCSc1ccccc1 18214501 ONWQDLLQQQEFHY-UHFFFAOYSA-N 321.829 3.627 0 40 DHAB CCCc1cc([C@@H]2CCCCCN2Cc2cnn(CC)c2)no1 19525421 QUFXDYFBXSSWIP-SFHVURJKSA-N 316.449 3.961 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NCc2ccccc2C)cc1 20039316 CVTZYNRZRSCEKM-CQSZACIVSA-N 315.438 3.801 0 40 DHAB COC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2[nH]1 20280886 HVCCYNIVKKRINA-UHFFFAOYSA-N 317.348 3.807 0 40 DHAB Cc1ccc(Cn2cc(NC(=O)Cc3ccc(F)cc3)cn2)cc1 27920177 UDRRXZOLVNBWIU-UHFFFAOYSA-N 323.371 3.560 0 40 DHAB CC[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCCC1 31229418 QQDZMUSVDPLWST-HXUWFJFHSA-N 322.452 3.958 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1C 32481075 GOYQRSJXOXLIRX-HNNXBMFYSA-N 315.388 3.569 0 40 DHAB CCC(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 32622892 WUOYGXORJQWAGO-UHFFFAOYSA-N 323.352 3.761 0 40 DHAB C[C@@H](NC(=O)c1ccc2cn[nH]c2c1)c1cc2ccccc2o1 32900997 QTOJTTHCJAFZJC-LLVKDONJSA-N 305.337 3.800 0 40 DHAB Nc1nn(C(=O)c2ccccc2-c2ccccc2)c2ccccc12 32912305 WSTQNDQRSABAGO-UHFFFAOYSA-N 313.360 3.974 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CCCOc2ccccc2C)o1 40050484 QATVADORLCVRCR-HNNXBMFYSA-N 301.386 3.933 0 40 DHAB C[C@H](Oc1ccc(C(=O)Nc2ccncc2)cn1)c1ccccc1 40144782 SEEPTKLTAPMYFH-AWEZNQCLSA-N 319.364 3.869 0 40 DHAB O=C(NC[C@@H]1CCCOC1)C1(c2cccc(Cl)c2)CCCC1 40156938 UUKJYVBJRWGNMR-AWEZNQCLSA-N 321.848 3.695 0 40 DHAB O=C(NCc1cc[nH]n1)Nc1ccccc1SC1CCCC1 40540316 RHJMOTLFJKOGGK-UHFFFAOYSA-N 316.430 3.766 0 40 DHAB CC(C)(C)c1nnc(SCc2nc(-c3ccsc3)no2)o1 42570499 FGBQNVNWGWVUPA-UHFFFAOYSA-N 322.415 3.771 0 40 DHAB CC(C)c1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1 42646485 SWFHAWSXCFHOJW-CQSZACIVSA-N 310.397 3.626 0 40 DHAB CCCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210421 OJIAKNAYNACWJZ-UHFFFAOYSA-N 302.395 3.977 0 40 DHAB Cc1ccc(C)c(CS(=O)(=O)Cc2csc(C(C)C)n2)c1 46093901 VYDGZKRSKDODKG-UHFFFAOYSA-N 323.483 3.998 0 40 DHAB CN(C(=O)CN1CCC[C@H]1CCc1ccccc1)c1ccccc1 48324388 RZMABAZELVXQMN-FQEVSTJZSA-N 322.452 3.747 0 40 DHAB CC(C)c1cc(C(=O)NC[C@@H]2CC=CCC2)nn1C(C)(C)C 58061167 KJWFGWKGFKIJNH-CQSZACIVSA-N 303.450 3.848 0 40 DHAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2F)c(C)c1 59351702 HQJSBAFYGKSJHP-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB CCc1ccsc1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 59983826 WHGLHZKRUATWFI-ZDUSSCGKSA-N 308.491 3.551 0 40 DHAB C[C@H]1CN(c2ncnc3cccc(F)c23)C[C@H](c2ccccc2)O1 67905159 NHDMPBDABLEMDM-SUMWQHHRSA-N 323.371 3.735 0 40 DHAB CO[C@H]1CCCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 69464773 YRFCJXIOCXZKLF-NSHDSACASA-N 316.373 3.644 0 40 DHAB C[C@@H](CCNC(=O)Cc1noc2ccccc12)c1ccccc1 69562581 KNHGCYOHUUWUIX-AWEZNQCLSA-N 308.381 3.680 0 40 DHAB O=C(Nc1c(F)cccc1Oc1ccccc1)[C@@H]1CCOC1 69898066 AGDWFCJHOJECSW-GFCCVEGCSA-N 301.317 3.593 0 40 DHAB CCCCN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C 72219649 ZKPGKWBBLOQCQO-GOSISDBHSA-N 317.477 3.554 0 40 DHAB CC(C)Sc1ccccc1NC(=O)NC1CCC(O)CC1 89891046 VYFZSNQTCBYOLM-UHFFFAOYSA-N 308.447 3.612 0 40 DHAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1csc2ccccc12 89949164 LCPWTHKQZJGCAU-YOEHRIQHSA-N 316.470 3.638 0 40 DHAB CNC(=O)c1cccc(CN[C@@H](C)c2ccc(F)cc2Cl)c1 95420960 BNFWUTGUCCVWOL-NSHDSACASA-N 320.795 3.690 0 40 DHAB COc1cc(C(=O)c2cccc(SC)c2)cc(OC)c1OC 95917235 BKJLRVZCRBSFAO-UHFFFAOYSA-N 318.394 3.665 0 40 DHAB C[C@H](Sc1nnc(CCc2ccccc2)o1)C(F)(F)F 95971403 XQVUYXDJUKXHKX-VIFPVBQESA-N 302.321 3.898 0 40 DHAB COc1cc(F)ccc1NC1CCN(C(=O)CC(C)(C)C)CC1 95990462 KDWRSQMJIXXGHV-UHFFFAOYSA-N 322.424 3.673 0 40 DHAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)[C@@H]1CC=CCC1 96104094 XJGSECHIXSHMDM-OAHLLOKOSA-N 313.445 3.848 0 40 DHAB Cc1ccc(-c2cc(CSCc3nnc(C)o3)on2)cc1 96467788 MAOPUVBYXIFJMP-UHFFFAOYSA-N 301.371 3.775 0 40 DHAB CCc1cc(CN[C@@H]2CCCOc3c(C)cc(C)cc32)on1 96478222 YYWSNHRHNKDSLV-QGZVFWFLSA-N 300.402 3.857 0 40 DHAB COc1ccc2cc([C@](F)(C(=O)O)C(F)(F)F)ccc2c1 98174846 BLSHKNSWCKJOLB-ZDUSSCGKSA-N 302.223 3.660 0 40 DHAB Cc1ccccc1CCC(=O)NC[C@@H]1CCCN1c1ccccc1 207989410 FFRCEGJAHZJBCC-FQEVSTJZSA-N 322.452 3.713 0 40 DHAB CCOc1cc(C=O)ccc1OCCCCN1CCC(C)CC1 217798603 APWFAQIUFJUXDE-UHFFFAOYSA-N 319.445 3.789 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1cccc(C)c1 222861799 VXMCSEXOAZXBNE-LJQANCHMSA-N 311.425 3.901 0 40 DHAB CC(C)(C)NC(=S)Nc1ncc(Cl)cc1Br 223879996 BYWPJWVQWDWYAL-UHFFFAOYSA-N 322.659 3.582 0 40 DHAB CCc1ccccc1N(C)S(=O)(=O)c1ccc(SC)cc1 224973352 HQDHXWBZAGVJNI-UHFFFAOYSA-N 321.467 3.796 0 40 DHAB CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccc(OC)c(C)c1 225205717 KFALAAOGLQRVSH-QGZVFWFLSA-N 313.397 3.893 0 40 DHAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c(C)n1 225899516 GDHZAMFXMGMZGC-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB O=C(O)c1sc2c(OC(F)(F)F)ccc(O)c2c1Cl 228955744 IOCFCWDTSSRFDG-UHFFFAOYSA-N 312.652 3.857 0 40 DHAB CSc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409237682 BCYIYOADOBFFPI-LFIBNONCSA-N 324.405 3.501 0 40 DHAB COC(=O)[C@@H]1CCCCc2c1[nH]c1ccc(Br)cc21 575319666 FDKNCKJXYBUOCT-LLVKDONJSA-N 322.202 3.913 0 40 DHAB CSc1nc2ccsc2c(=O)n1-c1cc(C)ccc1C 1889056395 GXRADKKHDQMNDX-UHFFFAOYSA-N 302.424 3.786 0 40 DHAB Clc1ccc2ncc(-c3cc([C@@H]4CCCNC4)ccn3)n2c1 2037838687 WGMWZDQQVRMBBN-CYBMUJFWSA-N 312.804 3.517 0 40 DHAB O=S(=O)(Cc1ccccc1)Nc1ccc(Cl)cc1Cl 304083 IVMBRHMJDROQBI-UHFFFAOYSA-N 316.209 3.935 0 40 DHAB Cc1c(F)cccc1OC(=O)c1cnn(-c2ccccc2)c1C 385360 RHHMAOCYRJHSES-UHFFFAOYSA-N 310.328 3.847 0 40 DHAB CC[C@H](CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 529347 JLPGUYIBZABPAC-MRVPVSSYSA-N 304.173 3.823 0 40 DHAB CCOC(=O)[C@H](C)Sc1ncc(-c2cccc(Cl)c2)cn1 1397672 DSHQBGBKAJRFHI-JTQLQIEISA-N 322.817 3.841 0 40 DHAB Cc1ccccc1NC(C)(C)c1nnnn1-c1c(C)cccc1C 4645884 LZDFCOYWUNAHNH-UHFFFAOYSA-N 321.428 3.935 0 40 DHAB Cc1c(-c2ccccc2)n(O)c(-c2ccc(Cl)cc2)[n+]1[O-] 5533118 OXMRRMJTRNBFDL-UHFFFAOYSA-N 300.745 3.655 0 40 DHAB COc1ccc(OC[C@@H]2CN(C)CC[C@@H]2c2ccccc2)cc1 5573204 OJSFTALXCYKKFQ-FXAWDEMLSA-N 311.425 3.810 0 40 DHAB in-vitro N=C(OCc1ccccc1)c1cncc(OCc2ccccc2)n1 5647204 WGKVINYQABUKGM-UHFFFAOYSA-N 319.364 3.598 0 40 DHAB Cc1ccc(-n2ccnc(NCCc3ccccc3)c2=O)cc1C 6914916 BOWOMWNAUXZASO-UHFFFAOYSA-N 319.408 3.504 0 40 DHAB Cc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1Cl 7132383 HAQGWZZALHFBOZ-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1OC 7141506 JELCBVABTJVVGF-UHFFFAOYSA-N 323.396 3.554 0 40 DHAB CC(=O)Nc1ccc(CC(=O)Nc2cc(Cl)ccc2C)cc1 7271786 NJUBWRDXHLJRJK-UHFFFAOYSA-N 316.788 3.788 0 40 DHAB CCOc1cc(/C=C/C(=O)Nc2ccc(F)cc2)ccc1OC 7638714 UNAKANOENSLHCD-VZUCSPMQSA-N 315.344 3.885 0 40 DHAB O=C(CNc1ccc(F)cc1)Nc1ccccc1Br 7971674 HSULGBPZMBBPQS-UHFFFAOYSA-N 323.165 3.639 0 40 DHAB CCc1nc2n(n1)[C@@H](c1ccco1)C=C(c1ccc(F)cc1)N2 8570212 PSECKEPVWALBTF-CQSZACIVSA-N 310.332 3.629 0 40 DHAB O=c1[nH]c2ccccc2nc1/C=C/n1c(=S)[nH]c2ccccc21 8651932 DETTWLLIHVOHGS-MDZDMXLPSA-N 320.377 3.563 0 40 DHAB COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c(F)c1 9366759 WVPSCWSHSWEFOR-UHFFFAOYSA-N 311.259 3.688 0 40 DHAB Cc1ccc(C)c(OCCSC2=N[C@@H]3CCCC[C@H]3N2)c1 9691502 MGQBPZIHPKNTFB-HUUCEWRRSA-N 304.459 3.686 0 40 DHAB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C=O)cc1 11692813 PGLGBQWIFBUVLP-RUDMXATFSA-N 316.740 3.780 0 40 DHAB CC(C)Oc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 11749888 WVSCULVEFNDYCQ-UHFFFAOYSA-N 309.409 3.935 0 40 DHAB C[C@H](Sc1ccccc1C(=O)O)C(=O)Nc1ccccc1 12759167 XTNVCRHYPILQFH-NSHDSACASA-N 301.367 3.504 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)NCCc3ccco3)ccc2c1 12972193 KKRVHMNABDYTMQ-AWEZNQCLSA-N 323.392 3.904 0 40 DHAB CC1CCN(CCCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 13670082 RVUXJQSYJCNWIO-UHFFFAOYSA-N 316.489 3.836 0 40 DHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccoc1 14015654 RBWRTASXBCJSMV-UHFFFAOYSA-N 306.293 3.934 0 40 DHAB Cc1cccc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)c1C 14116081 ZWKQTZPLWIMUTF-ZDUSSCGKSA-N 314.351 3.516 0 40 DHAB CCCCCNC(=S)Nc1cccc(Br)c1 16941674 LXMALELOMCEGPX-UHFFFAOYSA-N 301.253 3.926 0 40 DHAB CC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 16966063 PKIGLSASABEWTA-SFHVURJKSA-N 322.408 3.711 0 40 DHAB CCC(=O)Nc1nc(-c2cn(C)nc2-c2ccccc2)cs1 19697098 CHXCDNAIADERGT-UHFFFAOYSA-N 312.398 3.559 0 40 DHAB CSc1ncccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 24833593 MQARUBSEKCRRSB-UWVGGRQHSA-N 318.364 3.654 0 40 DHAB CC(C)Oc1cccc([C@@H]2CC(O)=Nc3nc(N)sc32)c1 36358361 ZMGTZUJJARSRAX-NSHDSACASA-N 303.387 3.636 0 40 DHAB O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@H]1c1ccco1 36393640 CJVAYZIZQGEZTB-KRWDZBQOSA-N 317.348 3.666 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@@H](c1ccccc1)C1CCCCC1 40108827 ZUNVXFBTAWXAJD-HKUYNNGSSA-N 301.430 3.993 0 40 DHAB COc1ccc(C(=O)NCC2CCCCC2)cc1OC(F)F 40120196 NZQAJWOLPNWYIG-UHFFFAOYSA-N 313.344 3.607 0 40 DHAB O=C(NCc1cccc(Br)c1)c1ccc(F)cc1 42238958 RBDYEQFVCFJOJQ-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 42646576 BLRBKBDAXNDRGA-UHFFFAOYSA-N 324.424 3.547 0 40 DHAB Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 45904316 XHCPHJWOMUSYMU-AWEZNQCLSA-N 311.381 3.566 0 40 DHAB COC1CCN(C(=O)c2sc3ccc(F)cc3c2C)CC1 52984415 YPGCJZKUILPVDQ-UHFFFAOYSA-N 307.390 3.600 0 40 DHAB C[C@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1 57722103 NURBNWLPVWCXFH-GUYCJALGSA-N 316.832 3.820 0 40 DHAB Cc1c([C@@H](C)Nc2cn[nH]c(=O)c2Cl)oc2ccc(F)cc12 58404305 RSCCMNUFKPLPCK-MRVPVSSYSA-N 321.739 3.790 0 40 DHAB CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 59054963 NDFWMFRAUHLMJY-LLVKDONJSA-N 303.337 3.933 0 40 DHAB COC(=O)c1ccc(OCc2ccccc2)c(Br)c1 59570301 PYDCHQSFLBMHLD-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB CCOc1ccc(F)cc1NC(=O)c1cc(C)n(C(C)(C)C)n1 69615561 UNGATQNPXJIRAK-UHFFFAOYSA-N 319.380 3.737 0 40 DHAB CCCCNC(=O)c1cn[nH]c1-c1ccc(OCC)c(Cl)c1 72329312 CPZYLQCEPLQBRN-UHFFFAOYSA-N 321.808 3.659 0 40 DHAB Cc1c(F)cccc1NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 73393220 GXKQPNHGGWCMGB-UHFFFAOYSA-N 322.339 3.742 0 40 DHAB O=C(Nc1cccc(F)c1F)N[C@H](CCCO)c1ccccc1 77694335 GFMFDMPHUQAEJH-CQSZACIVSA-N 320.339 3.600 0 40 DHAB CN(C)C(=O)c1ccc(CNc2ccnc3cc(F)ccc23)cc1 79096574 MOGBZVLAIMFNTQ-UHFFFAOYSA-N 323.371 3.688 0 40 DHAB c1ccc([C@H](NCc2cccc(-c3nc[nH]n3)c2)C2CC2)cc1 91374788 KFORDNLSQFPQSQ-SFHVURJKSA-N 304.397 3.713 0 40 DHAB Cc1c(C(=O)O[C@H](C)c2cccnc2)ccc2cnc(C3CC3)n12 95468954 ICRWWXXBFVJOSA-CYBMUJFWSA-N 321.380 3.833 0 40 DHAB O=C(CCCn1ccnc1)Nc1cccc(NC2CCCC2)c1 96421706 SZSQIJNBIUNORH-UHFFFAOYSA-N 312.417 3.657 0 40 DHAB CN(C)c1nc(CN[C@H]2CCc3cc(Cl)ccc32)cs1 96478976 YHTNCCWVFXYCQV-AWEZNQCLSA-N 307.850 3.640 0 40 DHAB Cc1[nH]nc(NC(=O)C2=CCCCO2)c1-c1cccc(Cl)c1 96480679 QALILQUCINCTBV-UHFFFAOYSA-N 317.776 3.671 0 40 DHAB CCSCc1ccnc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)c1 96502468 DKVHAWWBGUOHBM-ZIAGYGMSSA-N 305.447 3.599 0 40 DHAB Cn1cnnc1[C@@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 97236457 LPIRTTMCISSESJ-INIZCTEOSA-N 324.384 3.538 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccccc2)n1 98212966 YYLCYIMJCQQDEA-ZDUSSCGKSA-N 315.373 3.809 0 40 DHAB Cc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 100984923 RBNAHZPTLPAGRE-KRWDZBQOSA-N 306.344 3.782 0 40 DHAB Cc1ccc(-c2c(C)n(O)c(C)c(-c3ccccc3)[n+]2=O)cc1 136553702 MQKUKIZZFIKPFN-UHFFFAOYSA-N 307.373 3.899 0 40 DHAB Cc1cccc(NC(=O)NC[C@H]2CCCN2c2ccccc2)c1 211120660 ZUZNUVKCGONHJL-GOSISDBHSA-N 309.413 3.786 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)NCCCc2ccco2)c1 223017884 YOZVJCOJIWXYEU-UHFFFAOYSA-N 315.413 3.839 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1F 223256903 YNPVBYOEGQFGBY-LBPRGKRZSA-N 313.372 3.814 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1C 224022217 RBTAQHVRMRKEGJ-HNNXBMFYSA-N 313.397 3.509 0 40 DHAB O=C(Cc1ccsc1)NCc1ccnc(-c2cccs2)c1 225652184 TUWPJLQHUPABNK-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1N 226263150 YAPUFVCREIMOGI-LBPRGKRZSA-N 315.442 3.961 0 40 DHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)C(C)C)nc1 257329467 XKCFFYFFNNBBRM-INIZCTEOSA-N 313.401 3.673 0 40 DHAB CCc1cccc(C(=O)[C@@H](Br)CBr)c1 382739221 YRCDFQGPFGJTPJ-JTQLQIEISA-N 320.024 3.590 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c(C)c1 408714508 SHCHZADSNQEMNG-UHFFFAOYSA-N 321.380 3.626 0 40 DHAB Cc1cccc(-c2cccc(CO[C@@H]3CCOC3)c2)c1C(=O)O 568533462 STZDBXUOFPYTTC-MRXNPFEDSA-N 312.365 3.666 0 40 DHAB CC(C)(C)n1cnnc1SCc1cnc(-c2ccccc2)o1 585138251 YVIMZYOPYABBCQ-UHFFFAOYSA-N 314.414 3.980 0 40 DHAB O=C(NCc1cncc(-c2ccco2)c1)c1cccc(Cl)c1 585404271 VDZAKYQKKORBEV-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB O=C1O[C@@H](c2ccc(Br)cc2)O[C@H]1c1ccccc1 64896 HXUYARVRVOCELX-ZFWWWQNUSA-N 319.154 3.762 0 40 DHAB CCN(CC)C[C@@H](O)Cn1c2c(c3cc(C)ccc31)CCCC2 384444 SSFTXRODJYFAFR-MRXNPFEDSA-N 314.473 3.531 0 40 DHAB Cc1cc(C)c2c(N)c(C(=O)Nc3ncc(C)s3)sc2n1 422680 GCLBEAOIOHIRFO-UHFFFAOYSA-N 318.427 3.513 0 40 DHAB Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 483692 OIIOXKRFDWSDPU-ZDUSSCGKSA-N 319.401 3.664 0 40 DHAB COc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 529699 FXWUMDFZEJMRCN-UHFFFAOYSA-N 314.414 3.909 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 978524 BCUNLKKQIFJFAV-UHFFFAOYSA-N 310.397 3.633 0 40 DHAB CCN(c1ccccc1)[C@@H]1SC(=O)N(c2ccccc2)C1=O 1318721 MNEYJKSXMMMVKW-MRXNPFEDSA-N 312.394 3.739 0 40 DHAB CC(C)c1nc(SCC(=O)NC(C)(C)C)c2ccccc2n1 1342856 JWZJRFLEGFSYKI-UHFFFAOYSA-N 317.458 3.760 0 40 DHAB Cc1ccc2c(N)c(C(=O)Nc3ccc(F)cc3)sc2n1 1480520 CTCQEBTVOLFDGK-UHFFFAOYSA-N 301.346 3.578 0 40 DHAB O=C(CSc1nc2cc(Cl)ccc2o1)NC1CCCC1 3256829 IDEQEMYFBWFYPV-UHFFFAOYSA-N 310.806 3.632 0 40 DHAB CCOc1ccc(-c2nc(N3CCCC3=O)sc2C)cc1 3448097 OJAQZGBPCZZGKY-UHFFFAOYSA-N 302.399 3.644 0 40 DHAB CC[C@@H](C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1 4295349 VQJDIRREVPLGPB-GFCCVEGCSA-N 313.382 3.930 0 40 DHAB aggregator CC(C)C(=O)N(Cc1ccccn1)c1nc2ccccc2s1 4304755 LOKRBDDGZZCXQY-UHFFFAOYSA-N 311.410 3.881 0 40 DHAB Cc1ccc2nc(SCC(=O)Nc3ccccc3F)[nH]c2c1 4726041 MZCMBLYKAWGRMU-UHFFFAOYSA-N 315.373 3.741 0 40 DHAB COc1ccccc1NC(=O)/C=C/c1nc2ccccc2s1 5558435 LDOUPGMYJHLDGT-ZHACJKMWSA-N 310.378 3.957 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc(CN3CCCC3)cc2)c1 5981707 AAKBVMGJWJFYDH-UHFFFAOYSA-N 324.424 3.608 0 40 DHAB Cc1ccc2nc(SCC(=O)c3ccc(F)cc3)[nH]c2c1 6506624 HBXBRJHPQMKEIQ-UHFFFAOYSA-N 300.358 3.985 0 40 DHAB Oc1ccc(-c2nnc(S)n2-c2cccc(Cl)c2)cc1 6534051 FJPXSBAXQDZZEE-UHFFFAOYSA-N 303.774 3.582 0 40 DHAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 7770155 NXVGAFJFPLLDPH-CXAGYDPISA-N 310.397 3.554 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccoc1C 7849962 ILQPAPZZWDUSLK-LBPRGKRZSA-N 311.337 3.806 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2OC)c1 9112375 FMLQJIFIEPAWJG-UHFFFAOYSA-N 314.341 3.516 0 40 DHAB O=c1cc(CN2CCCCC2)c2ccc(Br)cc2o1 9595740 RNZICEIGFSHEBC-UHFFFAOYSA-N 322.202 3.541 0 40 DHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(F)ccc1F)C2 11373589 ZZOZOXGXDVARGO-OAHLLOKOSA-N 305.349 3.929 0 40 DHAB COc1cc2ncnc(Nc3ccc(C(C)=O)cc3)c2cc1OC 11990249 FHODFBPGUBHIJG-UHFFFAOYSA-N 323.352 3.593 0 40 DHAB Cc1nc(S[C@H](C(=O)O)c2ccccc2)nc2c1CCCC2 12176549 ZQGAYKIFZLSFHC-HNNXBMFYSA-N 314.410 3.582 0 40 DHAB Cc1nc(-c2ccc(CCNC(=O)c3ccoc3)cc2)cs1 12621425 DBFBUAWIMGZUKN-UHFFFAOYSA-N 312.394 3.684 0 40 DHAB Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1 12763469 OPEIHCSOOAASDQ-INIZCTEOSA-N 311.381 3.805 0 40 DHAB C[C@@H]1CCc2c(C(=O)NCCCCCCC(=O)O)csc2C1 12875185 ULPNFLGPSLIMKG-GFCCVEGCSA-N 323.458 3.638 0 40 DHAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1 12989918 ICWRNXUQUBTUQR-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB O=C(CC1C(=O)CC(c2ccccc2)CC1=O)c1ccccc1 13227020 WEOFFZREWDGICH-UHFFFAOYSA-N 306.361 3.591 0 40 DHAB Fc1ccc(F)c(-c2nnc3sc(-c4ccccc4)nn23)c1 13625313 PDFNBOIIIRVXIQ-UHFFFAOYSA-N 314.320 3.798 0 40 DHAB Cc1cc(O[C@@H](C)C(=O)N2CCC[C@@H](C)C2)cc(C)c1Cl 13676115 XOUASRJDMGZXOV-RISCZKNCSA-N 309.837 3.983 0 40 DHAB CCC[C@@H](C(=O)c1ccc(Br)cc1)N1CCCC1 13682048 RAHKQMUBMIJUFG-AWEZNQCLSA-N 310.235 3.896 0 40 DHAB in-vivo CCC(C)(C)NCC(=O)Nc1cccc(-c2csc(C)n2)c1 14014426 XWZDRDLFRRSJMA-UHFFFAOYSA-N 317.458 3.835 0 40 DHAB Cc1ccc(NC(=O)c2cccc(N)c2)c(Br)c1 19268181 MXPOWLMTFNXHMX-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(C(F)(F)F)cc2)SC1 20739459 IPGPXGSAKGVSDG-LLVKDONJSA-N 313.304 3.853 0 40 DHAB CCOc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 22882756 ILHAGPROTUENFE-NEPJUHHUSA-N 315.335 3.936 0 40 DHAB C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(F)cc1 23268997 LDUPSLMFZVWIED-CYBMUJFWSA-N 309.344 3.502 0 40 DHAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)c(C)s1 24069926 SGCKRDJALKJUEE-UHFFFAOYSA-N 307.440 3.506 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(-c2ccco2)on1 24604059 IOIDPLPJDNEHEJ-CQSZACIVSA-N 308.337 3.742 0 40 DHAB Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1C 27664254 PRJHDQKPSLQEOH-UHFFFAOYSA-N 322.364 3.976 0 40 DHAB CC(C)c1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1 31652282 NWPNUSZJHHBEEI-UHFFFAOYSA-N 319.817 3.678 0 40 DHAB Cc1cc(NC(=O)Cc2ccccc2)n(-c2ccc(F)cc2)n1 32610484 YXXMTQUKXLUODR-UHFFFAOYSA-N 309.344 3.501 0 40 DHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 32906477 FAZOZQCTTXBTTC-UHFFFAOYSA-N 319.792 3.905 0 40 DHAB Cc1ccc(OCC(=O)Nc2nc(-c3ccco3)cs2)cc1 40111437 NTIPBQVWUXCFOQ-UHFFFAOYSA-N 314.366 3.729 0 40 DHAB CSc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)cc1 44890614 BKFNHFCFJRYVDA-AWEZNQCLSA-N 319.455 3.875 0 40 DHAB C[C@@H](C(=O)Nc1ccc(SC(F)(F)F)cc1)n1ccnc1 56482539 CMWYHGMRZOQIDJ-VIFPVBQESA-N 315.320 3.695 0 40 DHAB CC(C)Sc1ccccc1C(=O)NCCc1cccnc1 58265094 YJAQJNLIZJSYBB-UHFFFAOYSA-N 300.427 3.555 0 40 DHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C)n1 58326618 ZRGMFNLXEBFBHC-WMZOPIPTSA-N 309.413 3.583 0 40 DHAB Cc1ccc(N2CCN(CC(=O)c3cc(C)ccc3C)CC2)cc1 67206490 OSWIQKQTTTZIEO-UHFFFAOYSA-N 322.452 3.617 0 40 DHAB C[C@@H](Sc1ncnc2nc[nH]c12)c1ncc(-c2ccccc2)o1 72294591 QLPXRPJBVVHYRP-SNVBAGLBSA-N 323.381 3.861 0 40 DHAB COc1cc(C(=O)N2CCC(C)CC2)nc2c(C)cc(F)cc12 72328776 ARKADFXVYPVPCP-UHFFFAOYSA-N 316.376 3.563 0 40 DHAB NCCc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 87881942 GVXHDTUXZWPOOC-UHFFFAOYSA-N 303.230 3.676 0 40 DHAB O=C(NC[C@@H](O)c1ccncc1)c1ccc(C2CCCCC2)cc1 89783331 HBGUMKDDYGLFDS-LJQANCHMSA-N 324.424 3.593 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1cc(NC)ccc1Cl 95967128 XUOJMBAHZASWQQ-UHFFFAOYSA-N 324.833 3.597 0 40 DHAB CC(C)CCC(=O)NCc1ccnc(NC(=O)CCC(C)C)c1 96012006 DQSOLIDFYXTOMV-UHFFFAOYSA-N 319.449 3.509 0 40 DHAB CSc1sc(NC(=O)c2ccnn2C2CCCC2)nc1C 96476724 NCPGUCYFDPIRBY-UHFFFAOYSA-N 322.459 3.737 0 40 DHAB CC(=O)c1ccc(N(C)C)cc1OCc1ncc(C(C)C)o1 97114898 KRDYGXUYERXJLU-UHFFFAOYSA-N 302.374 3.646 0 40 DHAB C(=C\c1nnnn1-c1ccccc1)\Nc1cccc2ccccc12 100209790 VZFFZWPHNOCCIF-YPKPFQOOSA-N 313.364 3.898 0 40 DHAB C[C@]12C[C@@H](NC(=O)N1c1ccc(F)c(F)c1)c1ccccc1O2 101084779 MWJNVTDHVRIJIT-PBHICJAKSA-N 316.307 3.734 0 40 DHAB CN1[C@H]2CC[C@H]1CC(NC(=O)/C=C/c1cccc3ccccc13)C2 103719032 ANEGKXXUNGIDBD-KSEZFFFOSA-N 320.436 3.594 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(OC)cc1 113968865 WXNNDZUVFXBEQZ-RDTXWAMCSA-N 313.397 3.730 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)C)cc1N1[C@@H](C)CCC[C@H]1C 216865140 JWHLRCGJUSDCAK-OKILXGFUSA-N 303.450 3.939 0 40 DHAB S=C(NCc1ccccc1Cl)Nc1cccnc1Cl 223933933 VOTKZSHSOUFPRA-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB O=C(CCCOc1ccccc1)NCCc1ccc(Cl)cc1 224141674 USOKBRCLRQFRCC-UHFFFAOYSA-N 317.816 3.858 0 40 DHAB CN(C)C(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 225334928 KUJPMHCYWCQNMU-UHFFFAOYSA-N 324.409 3.966 0 40 DHAB O=C(Cc1ccccc1F)N1CCC(Cc2ccccc2)CC1 225444771 OJERRFSKDLHNSY-UHFFFAOYSA-N 311.400 3.850 0 40 DHAB COc1cccc(Nc2ccc(N)cc2C(=O)OC(C)C)c1 225478096 FLSJNPWDBFDQDY-UHFFFAOYSA-N 300.358 3.586 0 40 DHAB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(C)cc1C 225479477 ZFYOKQWQDLTIKA-ZDUSSCGKSA-N 315.442 3.755 0 40 DHAB Cc1ccnc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225873480 QAPLBVUYMJZWNT-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)nc1 225897329 KYXZCVMUXFKTTC-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2ccnc3ccncc23)n1 252490640 KYHOWTKJDMBXBZ-WFASDCNBSA-N 324.384 3.598 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccnc(OCC2CC2)c1 253400897 MDSRYSUGVSSTMK-GOSISDBHSA-N 322.408 3.678 0 40 DHAB CC(C)[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)OCc1ccccc1 255995396 PTGGJYAPNXVZKK-HNNXBMFYSA-N 321.417 3.621 0 40 DHAB C[C@H]1C[C@@](C)(NC(=O)Cc2ccccc2)[C@@H]2CC[C@@H](C)C[C@H]2O1 257310861 UGYOJKMDMXUIQB-XXECKMAJSA-N 315.457 3.718 0 40 DHAB COc1cc2ccccc2cc1C(=O)NCCSC(C)C 588168517 WVVHGZPUSGQBEJ-UHFFFAOYSA-N 303.427 3.720 0 40 DHAB CCc1cc(N2CCC[C@@H](c3nc4ccccc4o3)C2)ncn1 592455790 IIBOAQHNMGHMCN-CYBMUJFWSA-N 308.385 3.564 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(Br)c1 1775995542 IBORGVRWBBMLRB-OKILXGFUSA-N 321.218 3.557 0 40 DHAB CCc1ccc(NC(=O)c2cc3cccc(OC)c3oc2=O)cc1 105709 ICDDRKBZGADQDA-UHFFFAOYSA-N 323.348 3.616 0 40 DHAB CC(C)c1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 385263 HHBYLMFYCLUERN-UHFFFAOYSA-N 312.320 3.995 0 40 DHAB COc1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1 525366 CWATUYAMJBBIOJ-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB Clc1ccccc1-c1nn2c(-c3cccnc3)nnc2s1 531221 KLBIKCAXFSMLHM-UHFFFAOYSA-N 313.773 3.568 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2cccc3ccc(C)nc23)c1 998861 KHGVLSNIJZSQRA-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3C2CC2)c1 1377495 KCVKNRQAJINQFA-QZTJIDSGSA-N 313.445 3.664 0 40 DHAB Cc1cccc(NC(=S)NC2=NN(c3ccccc3)CC2)c1C 3298380 OKNBSGHYGPWUJY-UHFFFAOYSA-N 324.453 3.814 0 40 DHAB C[C@H]1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1 3564623 FXLKDKLLSAGXGV-KRWDZBQOSA-N 322.452 3.624 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 3611510 LFPVYMKWCQEZCA-GFCCVEGCSA-N 317.772 3.949 0 40 DHAB CCCC[C@@H](C(=O)Nc1cccc2c1O[C@@H](C)C2)N(CC)CC 4062145 MIVCUTMQBVUNCD-YOEHRIQHSA-N 318.461 3.849 0 40 DHAB biogenic CCCC[C@H](CC)CNC(=O)CCCC(=O)Nc1ccccn1 4678226 ZSIOIYNVDUYEOG-HNNXBMFYSA-N 319.449 3.523 0 40 DHAB Cc1ccc(SCc2cc(=O)n3c(C)csc3n2)c(C)c1 5020051 AXGLIQJLIWFBEU-UHFFFAOYSA-N 316.451 3.974 0 40 DHAB C[C@H](NC(=O)CSc1ccccn1)c1ccccc1Cl 5622505 CQHKQPQJHIKCOS-NSHDSACASA-N 306.818 3.705 0 40 DHAB C[C@@H]1NC(=O)[C@H](C)[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 5882883 NGMGPYNQJAKUED-NONVJHHQSA-N 323.396 3.607 0 40 DHAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2)cc1OC 5980180 FGSJAVLPSSVJNB-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB COc1cccc(C2=NN=C(N[C@@H]3CCCC[C@@H]3C)SC2)c1 6469062 HQCXAZBZZBSXHM-SWLSCSKDSA-N 317.458 3.670 0 40 DHAB CC(C)c1ccccc1OCC(=O)Nc1nnc(C2CC2)s1 6790508 NUGNPUWRNKLSAL-UHFFFAOYSA-N 317.414 3.556 0 40 DHAB COc1ccc(OC)c(C(=O)Nc2cc(Cl)ccc2OC)c1 7401196 PEISEWQAZKIWQJ-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1F 8388910 WWYVLCFPERUCKJ-CQSZACIVSA-N 317.385 3.801 0 40 DHAB Cc1cc(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2[nH]1 8574987 AAQDWASWDYCOPK-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB Cc1ccccc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 8751954 XKIZNRMAMKAATI-JLHYYAGUSA-N 320.392 3.774 0 40 DHAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccccc2)cc1 8868598 WQNWUPHIFUUQOZ-UHFFFAOYSA-N 323.352 3.778 0 40 DHAB c1ccc(-c2cc(-c3cc4ccccc4o3)nc3nnnn23)cc1 9114646 YAVMTFRXBIOPQY-UHFFFAOYSA-N 313.320 3.600 0 40 DHAB Cc1cccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)c1 9194343 KVRWRCGNEPBHFB-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB O=C(NCCC1=CCCCC1)c1ccc(CN2CCCC2)cc1 10362287 WDMRHZJLQWWXCR-UHFFFAOYSA-N 312.457 3.903 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)cc3)cnc21 12762486 NCOZHCWAZVJLJZ-UHFFFAOYSA-N 314.776 3.918 0 40 DHAB COc1cccc(NC(=O)N[C@H](C)c2ccccc2OC)c1 13048108 XEEIVRDHLZANNO-GFCCVEGCSA-N 300.358 3.587 0 40 DHAB COc1ccc([C@H](NC(=O)c2ccco2)c2ccccc2)cc1 13986059 BECPNPWFVBFQNR-GOSISDBHSA-N 307.349 3.808 0 40 DHAB COc1ccc(COc2ccc(-c3noc(C)n3)cc2)cc1F 14160053 NGJDVVZRNUFRHE-UHFFFAOYSA-N 314.316 3.772 0 40 DHAB CC(C)(C)c1noc([C@@H]2CCN(Cc3cccc(F)c3F)C2)n1 19084635 DVIRLVJQLUVQKQ-GFCCVEGCSA-N 321.371 3.635 0 40 DHAB Cc1ccc(CN(C)S(=O)(=O)Cc2cccc(Cl)c2)cc1 20035008 SBLAHKAXUVIKOY-UHFFFAOYSA-N 323.845 3.610 0 40 DHAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 20478470 AHCNDXJSKJQOIT-UHFFFAOYSA-N 316.158 3.578 0 40 DHAB CN(C)C(=O)c1cccc(NC(=O)c2cc3ccccc3s2)c1 24992705 JKFGTTHXMVOGLS-UHFFFAOYSA-N 324.405 3.855 0 40 DHAB COc1ccccc1CN[C@@H](C)c1ccc(-n2ccnc2)cc1 25356244 DWVQHVLTVGYLAX-HNNXBMFYSA-N 307.397 3.732 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cn1 27734824 CEUBIRDXKLZPFU-NSHDSACASA-N 319.202 3.644 0 40 DHAB COCc1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 29144491 XTJHEKQXGSHIPE-UHFFFAOYSA-N 311.168 3.787 0 40 DHAB COc1cccc(NC(=O)Cn2ccc3c(Cl)cccc32)c1 32101875 HUHKWVXXYRBGPT-UHFFFAOYSA-N 314.772 3.942 0 40 DHAB Cc1nnc(NC(=O)c2ccccc2N(C)c2ccccc2)s1 40129276 QYLUFFVWYWRQKB-UHFFFAOYSA-N 324.409 3.867 0 40 DHAB CSc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1 41019053 AWIXHOOTMVJUTD-UHFFFAOYSA-N 321.471 3.955 0 40 DHAB CC(C)COCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 42883580 GODLWZRUWOAZHA-UHFFFAOYSA-N 317.351 3.727 0 40 DHAB C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccccn1 44892320 JOGWAPPOUGUULJ-JSGCOSHPSA-N 301.415 3.751 0 40 DHAB CCCOc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 46181832 WCJIENFTPZIGCI-UHFFFAOYSA-N 305.324 3.684 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1ccc(C)cc1 53521380 VESBAOLWWLJTNC-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CCSCCC(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 58279152 VPWKSWPMSURZNV-UHFFFAOYSA-N 318.446 3.677 0 40 DHAB COc1cccc(CN2CCC[C@@H]2c2nc(C(C)C)no2)c1 67350699 ZTOAMXMKZDUJOL-OAHLLOKOSA-N 301.390 3.539 0 40 DHAB CSCCc1ccc(NC(=O)N(C)Cc2ccco2)cc1 69685634 YUQFQLFROYGDET-UHFFFAOYSA-N 304.415 3.849 0 40 DHAB CCCOc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 71121464 HYXPGIQLTLUVLS-UHFFFAOYSA-N 320.392 3.954 0 40 DHAB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C[C@H]2CCCO2)CC1 71830336 KQGHKPDWMRYQLM-MRXNPFEDSA-N 324.424 3.661 0 40 DHAB Cc1cccc(CSCC(=O)NCCCc2ccccc2)c1 72100170 XHFQAXUYEMUZLG-UHFFFAOYSA-N 313.466 3.977 0 40 DHAB Cc1nc(N(C)C)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 72218777 YMCUMJBAVUWBML-GOSISDBHSA-N 323.440 3.823 0 40 DHAB COc1ccc2oc(-c3ccc(N)cc3Br)nc2c1 73639342 HSNNZALUIIQWML-UHFFFAOYSA-N 319.158 3.848 0 40 DHAB Cc1ccc(OCCN2C(=O)[C@@H](C)CNc3ccccc32)cc1C 82087116 MILDQDQENOAQPF-INIZCTEOSA-N 324.424 3.777 0 40 DHAB CC(C)[C@@H](c1cccnc1)N(C)C(=O)Cc1c(F)cccc1F 87240791 SVIBPIPOPKGYPF-SFHVURJKSA-N 318.367 3.758 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](CNCc2cccc(F)c2)C1 89212725 JCZZTXLCIZXOCS-OAHLLOKOSA-N 322.424 3.562 0 40 DHAB Cc1ccc(-c2nc(CCN[C@H](C)c3cnccn3)cs2)cc1 95421682 UWHBVMKDLUESQQ-CQSZACIVSA-N 324.453 3.802 0 40 DHAB CCOC1CCN(C(=O)/C=C(\C)CCc2ccccc2)CC1 96256394 LXFPEMCQNWKZPI-FOCLMDBBSA-N 301.430 3.593 0 40 DHAB O=C(c1cccc2ccccc12)N1CCCC[C@H]1c1ncc[nH]1 96403400 NAIHXSLOAOWEER-KRWDZBQOSA-N 305.381 3.930 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1c(F)cccc12 98213611 BMWNBKHUOCPQGP-UHFFFAOYSA-N 306.381 3.520 0 40 DHAB C[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2ccnc2)cc1 104816826 CMQNREIZXHEGOQ-FZCLSBEQSA-N 323.440 3.876 0 40 DHAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)Cc1ccsc1 106519238 YTSWKUHWFOKNPF-UHOFOFEASA-N 315.438 3.608 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1 224500824 XNSCEMCDYPPBLY-HNNXBMFYSA-N 317.454 3.738 0 40 DHAB CCc1ccc(CC(=O)NCCOc2ccc(CC)cc2)cc1 225164989 KRISUTFWKSVVCW-UHFFFAOYSA-N 311.425 3.549 0 40 DHAB CCOC(=O)c1cccc(NC(=S)NC(C(C)C)C(C)C)c1 225327776 BCBDJGDGDXUDNZ-UHFFFAOYSA-N 322.474 3.830 0 40 DHAB CC(C)N(C[C@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)C(C)C 245229475 YTCOFICLLIPGED-DWRORGKVSA-N 311.510 3.698 0 40 DHAB FC(F)(F)[C@@H]1CCC[C@H](N[C@@H]2CCO[C@@]3(CCSC3)C2)C1 249276167 MBRAPPMKHXNEQR-RQJABVFESA-N 323.424 3.752 0 40 DHAB FC(F)(F)Oc1c(Br)ccc2[nH]c(Cl)nc12 258839672 WHGIKYFPJYCGSH-UHFFFAOYSA-N 315.476 3.877 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)cc1)c1noc2c1CCCC2 390829370 DVNBRTIMOMWTLQ-UHFFFAOYSA-N 322.364 3.743 0 40 DHAB c1ccc2c3c(sc2c1)[C@@H](NCCc1cnccn1)CCC3 530360199 ZITTYNAFHVKQAE-INIZCTEOSA-N 309.438 3.901 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)c1 307672 LUIOTNNQIYSPBS-QGZVFWFLSA-N 324.380 3.597 0 40 DHAB Fc1ccc(Cc2nnc3sc(Cc4ccccc4)nn23)cc1 385318 SQBIOUGCUZSKCN-UHFFFAOYSA-N 324.384 3.507 0 40 DHAB O=C1O[C@@H]([C@@H](O)c2cccc(Cl)c2Cl)c2ccccc21 481086 HHQYGPFHMCDNMZ-UONOGXRCSA-N 309.148 3.939 0 40 DHAB COc1ccc(Cc2nnc(Cl)c3ccccc23)cc1OC 500127 HNICWSFEJZGZDD-UHFFFAOYSA-N 314.772 3.891 0 40 DHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)nc1 1353237 PHCOHAZRBHWXNX-UHFFFAOYSA-N 317.776 3.582 0 40 DHAB O=C(NCCSC(=O)Nc1ccccc1)Nc1ccccc1 1743222 UHQKEBJZUWBTQL-UHFFFAOYSA-N 315.398 3.773 0 40 DHAB O=C(NC1CCCCCC1)c1cc(Br)cs1 2774836 KNSMKZIDJVZIIJ-UHFFFAOYSA-N 302.237 3.963 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccn(-c3ccccc3)n2)cc1 3168715 AZPWVRNPBLLOMA-FMIVXFBMSA-N 319.364 3.533 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2c3ccccc3C[C@H]2C)c1 3431747 KYHCRSMOBUCKOW-ZIAGYGMSSA-N 322.408 3.667 0 40 DHAB Cc1oc2cc(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 4327614 TXNAEPDZQBVYBI-UHFFFAOYSA-N 318.332 3.660 0 40 DHAB CC(C)Oc1ccc(C(=O)n2sc(=O)c3ccccc32)cc1 4517350 PIXHJWCYIYDXKJ-UHFFFAOYSA-N 313.378 3.539 0 40 DHAB O=C(CCCOc1ccccc1)Nc1nc2c(s1)CCCC2 6342549 SJWKVUFGJUNEAG-UHFFFAOYSA-N 316.426 3.820 0 40 DHAB COc1ccc([C@@H]2CCCCCN2CC(=O)c2ccc[nH]2)cc1 8939389 UBSXDIIKTZPUDR-SFHVURJKSA-N 312.413 3.823 0 40 DHAB CC(C)[C@H](NC(=O)NCc1ccccn1)c1ccc(Cl)cc1 9941183 NPOMPGLVCRQGCH-INIZCTEOSA-N 317.820 3.932 0 40 DHAB COc1ccc(C)cc1NC(=O)c1ccc(CN2CCCC2)cc1 10336563 MMMWJAGYWZBCMQ-UHFFFAOYSA-N 324.424 3.852 0 40 DHAB CC(C)(C)c1ccc(/C=C/C(=O)NCCCN2CCCC2)cc1 10450008 BONTZPPGDHMSHV-FMIVXFBMSA-N 314.473 3.599 0 40 DHAB CCCCC1CCC(C(=O)O[C@@H](C(N)=O)c2ccccc2)CC1 11670820 ZATFLXAYFZGMLE-BDVYOWHSSA-N 317.429 3.753 0 40 DHAB Cc1ccc(OCCCn2c(C=O)nc3ccccc32)cc1C 11735048 BBHQMPRKWJPUOM-UHFFFAOYSA-N 308.381 3.935 0 40 DHAB O=C1[C@@H]2CC=C(Cl)C[C@H]2[C@H]2c3[nH]c4ccccc4c3CCN12 12655973 CQKQDDPDUJFJHB-CPUCHLNUSA-N 312.800 3.756 0 40 DHAB biogenic COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1C 12821979 ZTWPQOKNVFHVNH-UHFFFAOYSA-N 316.426 3.981 0 40 DHAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2C)c1 13668680 MJZAPVPNJURZAA-MRXNPFEDSA-N 317.454 3.792 0 40 DHAB CC(C)NC(=S)Nc1ccc(Br)cc1Cl 13795161 SHNLTAJSXRBPQZ-UHFFFAOYSA-N 307.644 3.797 0 40 DHAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(C(N)=O)cc1 13798517 BQSBKHPALSNHMA-UHFFFAOYSA-N 319.817 3.556 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(F)cc1 14738033 GRPPYYGNSDPPFX-LSDHHAIUSA-N 315.388 3.731 0 40 DHAB c1ccc([C@H]2COC(CC3=N[C@H](c4ccccc4)CO3)=N2)cc1 17888886 IUFHJPXOLHSJTC-CALCHBBNSA-N 306.365 3.717 0 40 DHAB Cc1cc(-c2cnn(C)c2)cc(C2CCN(CC(C)C)CC2)n1 19691959 BOFIDKLYWMZOIS-UHFFFAOYSA-N 312.461 3.626 0 40 DHAB CSc1cccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1 22060906 MPCBFZJWRUFXRZ-UHFFFAOYSA-N 323.458 3.627 0 40 DHAB in-vitro CN(C)CCNCc1cc(Cl)ccc1OCc1ccccc1 22075792 AGQAFFLOCMSROJ-UHFFFAOYSA-N 318.848 3.570 0 40 DHAB CC(C)CC[C@@]1(CCN2CCN(C)CC2)CCO[C@@H](C(C)C)C1 22931921 IPORIWFJIBWFBV-WOJBJXKFSA-N 324.553 3.882 0 40 DHAB CC(=O)Nc1nc(CN2CCC[C@H]2c2cccs2)cs1 24821974 OXECJHOSDPOBBM-LBPRGKRZSA-N 307.444 3.500 0 40 DHAB Cc1cc(CN(C)C(=O)c2ccc(OC3CCCC3)cc2)no1 25139044 TYIUFJDWSYRLNW-UHFFFAOYSA-N 314.385 3.577 0 40 DHAB COc1ccccc1[C@H](C)N(C)C(=O)/C=C/c1csc(C)n1 25330931 WAUPWVRTQODTFZ-VMPCVLLUSA-N 316.426 3.693 0 40 DHAB O=C(NCCCC1CCCCC1)c1cc2ccccc2c(=O)[nH]1 29227595 VYZYHARCHYVQRP-UHFFFAOYSA-N 312.413 3.618 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)c1 30274472 ZRXOPJCAYVMCJH-GFCCVEGCSA-N 321.380 3.617 0 40 DHAB Cc1cc(S(=O)(=O)Oc2ccc(Cl)cc2)ccc1F 32602171 XXFRFNXNUPVJLV-UHFFFAOYSA-N 300.738 3.555 0 40 DHAB CC(=O)Nc1sc(-n2nc(C)cc2C)nc1-c1ccccc1 35681835 NQRLRXCVBRLNHT-UHFFFAOYSA-N 312.398 3.571 0 40 DHAB Cc1c(N=O)cc(C(C)C)c(O)c1I 36559209 VXZISXGMSUWRPZ-UHFFFAOYSA-N 305.115 3.827 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Cn3cccn3)c2)cc1F 40074407 WTWGMFYVGVCFSZ-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB O=C(NCc1cccnc1)Nc1ccccc1SC(F)F 43552829 XPCUJISJHHMCLK-UHFFFAOYSA-N 309.341 3.718 0 40 DHAB O=c1ccc(-c2ccccc2F)nn1Cc1cccc(Cl)c1 44903259 RDMQEZPGDFYBRD-UHFFFAOYSA-N 314.747 3.751 0 40 DHAB O=C(Nc1cccc2ncccc12)c1cc(-c2cccnc2)on1 44936274 SXFZANSFGVALKJ-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB O=C(C[C@H]1CCCO1)Nc1ccc(N2CCc3ccccc32)cc1 55392061 UIPNAFJEBWATNA-GOSISDBHSA-N 322.408 3.888 0 40 DHAB CN(C)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 57027234 HJBMVIMQQHULCQ-UHFFFAOYSA-N 309.291 3.546 0 40 DHAB CCCCS[C@@H](C)C(=O)Nc1cccc(CN(C)C(C)=O)c1 57472072 UHVRMMKFOZSLHO-ZDUSSCGKSA-N 322.474 3.525 0 40 DHAB Cc1noc(C)c1CS[C@H](C)C(=O)N(C)c1ccccc1 57654575 CQCDUTWCZUOXKK-CYBMUJFWSA-N 304.415 3.576 0 40 DHAB Cc1cccc(-c2nnc(SCc3nnc(C4CC4)o3)o2)c1 58160251 NNOPNEREWQVJGD-UHFFFAOYSA-N 314.370 3.598 0 40 DHAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)[C@@H]1CCOC1 58309120 MDGRBKRVPBBTPC-IUODEOHRSA-N 321.829 3.644 0 40 DHAB Cc1c(Cl)cccc1NC(=O)N1CCc2ccc(O)cc2C1 69584724 RGBQHUAASUMTRJ-UHFFFAOYSA-N 316.788 3.944 0 40 DHAB O=C(NCCc1nccs1)N[C@@H](c1ccccc1)C1CCC1 69705343 AZNBLLLRMWHQKQ-INIZCTEOSA-N 315.442 3.526 0 40 DHAB O=C(O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 72345698 PDSAGBAVSLUCDV-UHFFFAOYSA-N 314.356 3.917 0 40 DHAB Cc1nc(C(C)(C)NC(=O)[C@]2(C)CC2(Cl)Cl)sc1C 76476383 CYORRXRYBBYJEU-LBPRGKRZSA-N 321.273 3.695 0 40 DHAB Cc1nc(C)c(C[S@@](=O)c2ccc3ccccc3n2)s1 83075724 GQNIYMJRDYPFBG-FQEVSTJZSA-N 302.424 3.616 0 40 DHAB Cc1noc2nc(C3CC3)cc(-c3nc(-c4ccccn4)no3)c12 84066741 WTICZVGVZPROAY-UHFFFAOYSA-N 319.324 3.521 0 40 DHAB COc1ccc(CN(C)Cc2c(C)noc2C)c(Cl)c1OC 91812886 FDUZLHOGNAOPOP-UHFFFAOYSA-N 324.808 3.594 0 40 DHAB FC(F)(F)c1cnc(N2CCCCC2)c(Br)c1 95096670 BBIHBSOOTLPXGQ-UHFFFAOYSA-N 309.129 3.853 0 40 DHAB CC(C)c1nc(CNc2ccc(Cl)c(C(N)=O)c2)cs1 95409864 JZPSRLSMPFSLGS-UHFFFAOYSA-N 309.822 3.631 0 40 DHAB COC(=O)CC1(NCc2cc3ccccc3o2)CCCCC1 95410426 SHSNLKAWVVHMOQ-UHFFFAOYSA-N 301.386 3.788 0 40 DHAB FC(F)(F)Cn1cc2c(n1)[C@H](NCc1ccccc1)CCC2 96002736 WIJUXBWXEPGDCE-CQSZACIVSA-N 309.335 3.613 0 40 DHAB CC(C)NC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C 96264221 VSQXKHWNCYZDBX-UHFFFAOYSA-N 309.413 3.681 0 40 DHAB Cc1ccc(-c2cc(C(=O)N(C)c3c(C)noc3C)on2)cc1 96448293 HQDTVQZSMOQSLS-UHFFFAOYSA-N 311.341 3.531 0 40 DHAB CC(=O)Nc1cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)ccc1F 104200287 OMBHAKGZRGVKNN-RWMBFGLXSA-N 304.365 3.549 0 40 DHAB COc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)CCc2ccco2)cc1 106581130 DHMJNNWDQOBUAB-JEBQAFNWSA-N 313.397 3.529 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1[C@@H](C)CCC[C@H]1C 217797597 KUIVQBHRCSDPJN-IYBDPMFKSA-N 319.445 3.930 0 40 DHAB CCc1ccc(CC)c(CNC(=O)Cc2ccc(OC)cc2)c1 222938524 KTKSTWAMQCLQOL-UHFFFAOYSA-N 311.425 3.679 0 40 DHAB O=C(NCCCc1ccc(F)cc1)c1cc(-c2ccccc2)on1 223279935 ITRGXYXBVWDAML-UHFFFAOYSA-N 324.355 3.843 0 40 DHAB CCCOc1ccc(C(=O)NCCOc2ccccc2C)cc1 224271673 ZHLOBPIMWVWKJE-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB CCOc1ccc(C(=O)NC)cc1COc1cc(C)cc(C)c1 224528578 TYYKHOXOJBDMNV-UHFFFAOYSA-N 313.397 3.641 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2ccccc2C)cc1C 225130663 PUMWSMZCVBQFDJ-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(OC(C)C)cc2)cc1C 225143422 GUMXDKVALPDXPX-UHFFFAOYSA-N 313.397 3.972 0 40 DHAB Cc1cc(C(=O)O)cc(C)c1OC(=O)c1ccc(Cl)cc1 256050851 GSLSMZKEBOXUHK-UHFFFAOYSA-N 304.729 3.874 0 40 DHAB COc1cc(N[C@H]2C[C@H](N)c3ccccc32)c(OC)cc1Cl 261827955 BCZHMIZHXUJLRX-KBPBESRZSA-N 318.804 3.914 0 40 DHAB Cc1ccc(NC(=O)N(C)C)cc1N[C@@H](C)[C@@H]1C[C@H]1C1CC1 527703068 JLSPZTCWHVPLGL-RCBQFDQVSA-N 301.434 3.935 0 40 DHAB Cc1oncc1C(=O)NCCc1ccc(-c2ccsc2)s1 575414041 LVHXKVUYXHJRSJ-UHFFFAOYSA-N 318.423 3.746 0 40 DHAB COCCCN(C)C(=O)c1cnc(-c2ccccc2Cl)s1 585139826 MOACIRRHKVQENL-UHFFFAOYSA-N 324.833 3.572 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 35973 BDFICRLLTCGCFU-UHFFFAOYSA-N 311.381 3.643 0 40 DHAB O=C(Cc1cccs1)Nc1ccc(OC(F)(F)F)cc1 82425 SUDMTEWJQLJUOJ-UHFFFAOYSA-N 301.289 3.828 0 40 DHAB CC(C)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 189390 GNJZAGHFHBVLFZ-UHFFFAOYSA-N 321.833 3.867 0 40 DHAB CC(C)c1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 537321 GUTNLQBCPDTTSC-FQEVSTJZSA-N 323.392 3.920 0 40 DHAB Cc1cnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)s1 2639477 BPMTXYNLYBDIHY-JTQLQIEISA-N 310.806 3.819 0 40 DHAB CCc1ccc(C(=O)COC(=O)/C=C/c2cccc(OC)c2)cc1 3274540 WXMWEZYFTCZWDW-FMIVXFBMSA-N 324.376 3.697 0 40 DHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1 3361120 MKHJXYNVSZGSJY-CQSZACIVSA-N 323.417 3.980 0 40 DHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2ccccc2o1 3451066 KODZZEKQIJHXDZ-OAHLLOKOSA-N 324.380 3.593 0 40 DHAB CCOc1ccc(NC(=O)COc2ccc(OCC)cc2)cc1 3457592 UFSJJSNUDIACPJ-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Cl)cc1 3512286 NRDBBZFWQUKHAC-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CC1(C)C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2Cc2ccccc21 3881800 IWHFLGWVCGKJJO-MRXNPFEDSA-N 321.376 3.763 0 40 DHAB biogenic Cc1cccc(Cn2cc(SCC(N)=O)c3ccccc32)c1 4060837 JCRXITALKOHGEC-UHFFFAOYSA-N 310.422 3.575 0 40 DHAB CC1=C[C@@H](C)[C@@H](C(=O)OCC(C)C)[C@H](C(=O)OCC(C)C)C1 4803892 HTQRIGKYTISTRY-BZUAXINKSA-N 310.434 3.603 0 40 DHAB CCCC(=O)Nc1nc2ccc(NC(=O)C(C)C)cc2s1 5002211 MELLLEZYXQIAJG-UHFFFAOYSA-N 305.403 3.629 0 40 DHAB O=S(=O)(Nc1cccc2c1CCCC2)c1cccc(F)c1 6416245 BHOLNFQXTCILLZ-UHFFFAOYSA-N 305.374 3.505 0 40 DHAB O=S(=O)(Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 7401967 YVEXCMQCJGFLOH-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB COc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1Cl 8114386 IHLXDIRRVJDMMO-GFCCVEGCSA-N 317.772 3.538 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccc(OC(F)F)cc2)c1 8277817 XONLIMSYIKXDGZ-UHFFFAOYSA-N 307.296 3.614 0 40 DHAB Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1ccccc1 8280858 YXQOZLGHZWUMSO-UHFFFAOYSA-N 319.408 3.960 0 40 DHAB CC(=O)c1cccc(OCCN2CCCC[C@H]2c2cccnc2)c1 8741370 MXMZVZNVJILHAB-FQEVSTJZSA-N 324.424 3.890 0 40 DHAB biogenic CC(C)c1cc(NC(=O)CSc2nc3ccccc3o2)on1 12620583 DKNVHWONGIXLEP-UHFFFAOYSA-N 317.370 3.670 0 40 DHAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)cc(F)c1 12820583 GVYIPGAHYOVSDJ-RYUDHWBXSA-N 307.262 3.816 0 40 DHAB O=S(=O)(Cc1cccc(Cl)c1)N1CCCc2ccccc21 13648480 QGUZEPKTWLSPGB-UHFFFAOYSA-N 321.829 3.623 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 14170335 SYNPNKOIWCWRCR-AWEZNQCLSA-N 310.397 3.753 0 40 DHAB Cc1nc(CC(=O)Nc2nc3c(C)cccc3s2)cs1 15669169 HUMAQYWXGJQWRB-UHFFFAOYSA-N 303.412 3.551 0 40 DHAB CN(C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C/c1ccccc1 17110328 OVQQEGZJIGLKBO-AOESTNDXSA-N 321.420 3.861 0 40 DHAB CC(C)(Br)C(=O)Nc1nc2c(F)cccc2s1 20133266 JTCCQDMKUXYIHX-UHFFFAOYSA-N 317.183 3.547 0 40 DHAB COc1cc(CNC(=O)c2ccccc2-c2ccccc2)ccn1 24438967 NAEOWHORJREHPG-UHFFFAOYSA-N 318.376 3.687 0 40 DHAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1cnn(C)c1 27919474 XFXQFEMFIACDEE-AWEZNQCLSA-N 305.381 3.578 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCc1cc(F)cc(F)c1 30164496 SFNYRGFNCLBTCL-UHFFFAOYSA-N 311.715 3.557 0 40 DHAB COc1ccc(S[C@H](C)C(=O)N2CCCC(C)(C)C2)cc1 30872455 TYLWOTQEHHBICU-CYBMUJFWSA-N 307.459 3.824 0 40 DHAB O=C(CCC(=O)N1CCc2ccccc21)c1ccc2c(c1)CCC2 32676064 CHDMKMYDAYTOEO-UHFFFAOYSA-N 319.404 3.728 0 40 DHAB O=C(CN1CCC[C@H]1c1ccc(Cl)cc1)NC1CCCC1 32777624 YHPKNOHGOSLYNI-INIZCTEOSA-N 306.837 3.536 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 32779479 VDYNWTFSTPKHPK-OAHLLOKOSA-N 304.777 3.504 0 40 DHAB c1ccc(CCN2CCN(c3nc4ccccc4s3)CC2)cc1 32819890 OEQZOJJIIHYXDB-UHFFFAOYSA-N 323.465 3.661 0 40 DHAB CN(C)/N=C/C=C1/CC/C(=C\c2ccccc2C(F)(F)F)C1=O 33657115 MLYLVIUDHUKLPQ-GSLNDWDFSA-N 322.330 3.926 0 40 DHAB Clc1ccccc1OCCCCn1nnc2ccccc21 35143497 QKKISZHPUSOFHY-UHFFFAOYSA-N 301.777 3.944 0 40 DHAB Clc1ccc(CNCCCOc2ccccn2)c(Cl)c1 35684103 DUXOLPZCTJRIKY-UHFFFAOYSA-N 311.212 3.947 0 40 DHAB COc1ccc(CNC(=O)Nc2ccc(F)cc2Cl)cc1 40097511 YJSKIKKSIQOOQU-UHFFFAOYSA-N 308.740 3.809 0 40 DHAB O=C(Nc1ccncc1)c1ccccc1SC[C@@H]1CCCO1 42034238 HCSZGCCANFQNMH-AWEZNQCLSA-N 314.410 3.605 0 40 DHAB CNC(=O)c1ccc(NC(=O)N(CC(C)C)CC(C)C)c(C)c1 47541674 LHBYEPUSYHREIY-UHFFFAOYSA-N 319.449 3.501 0 40 DHAB CC[C@@H]1c2ccsc2CCN1Cc1noc(C(C)(C)C)n1 47922797 XJDPZDOZGPAABM-GFCCVEGCSA-N 305.447 3.938 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccncc2)c1C 48196361 WWFUIMKWSUASKO-AEFFLSMTSA-N 324.424 3.829 0 40 DHAB O=C(Nc1cc(F)ccc1F)N[C@@H]1CCOc2ccccc21 53961605 IGIMEEKKWDMBDZ-CYBMUJFWSA-N 304.296 3.610 0 40 DHAB O=C(CC1CCCC1)Nc1cccc(CN2CCCCC2=O)c1 58266171 KOOIIVQCHMDKTG-UHFFFAOYSA-N 314.429 3.718 0 40 DHAB Cc1ccc([C@H](O)C(=O)c2ccc(Br)cc2)cc1 60222916 KWCNRDXQMJLJFH-AWEZNQCLSA-N 305.171 3.674 0 40 DHAB Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)no1 65475427 KCGGBJNPENCPTI-UHFFFAOYSA-N 321.380 3.529 0 40 DHAB CN(C(=O)Cc1ccon1)c1ccccc1Oc1ccccc1 71916497 PEVPFSKANXQIDW-UHFFFAOYSA-N 308.337 3.672 0 40 DHAB CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC/C=C/c1ccccc1 84736231 KHGINXKUQOGREB-PBKBVCMISA-N 314.473 3.573 0 40 DHAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccccn1 92868533 JSAKYAVLQLDBPS-AWEZNQCLSA-N 313.405 3.571 0 40 DHAB CC[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1cccs1 95413406 PBKFRDHRUKVECT-AGIUHOORSA-N 322.430 3.604 0 40 DHAB CCCC[C@@H](CC)CCN[C@H]1CCCN(c2cccnn2)C1 95445332 KUMXUKUEQLTAQY-SJORKVTESA-N 304.482 3.642 0 40 DHAB CN(C)c1ccccc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 95458442 BYVNJGQKMDIVQO-SJORKVTESA-N 313.372 3.739 0 40 DHAB Cc1cc(-c2nn3c(C(F)(F)Cl)nnc3s2)sc1C 95478168 ZFMBIFZAZLRLBL-UHFFFAOYSA-N 320.777 3.819 0 40 DHAB Cc1ncc(/C=C/C(=O)N(Cc2ccccc2)CC(F)F)s1 96432651 DXZMEBMEOJSPDH-BQYQJAHWSA-N 322.380 3.759 0 40 DHAB CCCn1/c(=N/C(=O)C(C)(C)C)sc2c(C)ccc(OC)c21 101061492 LKGDRAAYRFAWHS-VLGSPTGOSA-N 320.458 3.903 0 40 DHAB CCCOc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 104732413 ZDVGVZFSLHOLOO-CALCHBBNSA-N 313.397 3.711 0 40 DHAB COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(C)C 223653307 SCHDGFQTQBMKKB-UHFFFAOYSA-N 319.426 3.644 0 40 DHAB COc1ccc(CC(=O)Nc2cccc(OC(C)C)c2)cc1C 224287821 YQEVGMJNYWGAQT-UHFFFAOYSA-N 313.397 3.972 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(F)c(Cl)c2)cc1 224689925 XTFRJRNZBZYJRS-UHFFFAOYSA-N 313.781 3.613 0 40 DHAB CCNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1 225477210 XYKQANZCPWSXJW-UHFFFAOYSA-N 323.318 3.781 0 40 DHAB S=C(NCCCSCc1ccco1)Nc1ccccc1 225592439 VNXQTOWHPZZEPH-UHFFFAOYSA-N 306.456 3.890 0 40 DHAB Cc1nc2ccncc2cc1OCc1noc(C2CCCCC2)n1 278135501 ORVGJLFKEFOURQ-UHFFFAOYSA-N 324.384 3.948 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](c3cccs3)C2)c1 825164453 RJHXIGJMWCXCEK-AWEZNQCLSA-N 321.467 3.543 0 40 DHAB C[C@]1(CCC(=O)Nc2ccc(F)cc2)[C@H]2CC[C@@]1(C)C(=O)C2 1740818997 ZINZEJXSKOKQDR-IGNZVWTISA-N 303.377 3.940 0 40 DHAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccccc1Cl 176613 XKKQDXLIDJVAQQ-NTEUORMPSA-N 301.704 3.824 0 40 DHAB O=C1O[C@H]([C@@H](O)c2cccc(Cl)c2Cl)c2ccccc21 481085 HHQYGPFHMCDNMZ-KBPBESRZSA-N 309.148 3.939 0 40 DHAB COc1cccc2[nH]c3c(N4C[C@H](C)C[C@@H](C)C4)ncnc3c12 540306 YKQDMPLPYCVTOB-VXGBXAGGSA-N 310.401 3.602 0 40 DHAB Nc1ccccc1/C=C(/C(=O)O)c1ccc(C(F)(F)F)cc1 1722920 NHYMBIKPHLPWCU-UKTHLTGXSA-N 307.271 3.913 0 40 DHAB CNC(=O)N(C1=NC[C@H](C)S1)c1ccc(Cl)c(Cl)c1 3157199 VENNGDXQTKLORL-ZETCQYMHSA-N 318.229 3.631 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCCCC1 3251909 LNQMHRBSZQUMKR-UHFFFAOYSA-N 317.429 3.547 0 40 DHAB COc1cc(OC)c(NC(=O)c2ccc(C)s2)cc1Cl 3353662 OPBYNYMWWKJLDH-UHFFFAOYSA-N 311.790 3.979 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccccc1Cl 3406358 WIJATPUDWQGCMX-SNVBAGLBSA-N 313.781 3.519 0 40 DHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Cl 3507298 MJBWBYZCEVSFAB-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCCC1 3552661 WVWFUWXOFSQACC-UHFFFAOYSA-N 324.428 3.800 0 40 DHAB CC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 4339755 YLNHOMHFNYABBR-UHFFFAOYSA-N 322.368 3.582 0 40 DHAB Cc1ccc(CN(C)C(=O)c2c(-c3ccccc3)noc2C)o1 5421444 RKJYTOKMYDCYCL-UHFFFAOYSA-N 310.353 3.824 0 40 DHAB CCc1ccc([C@H](C)NC(=O)Cn2c(C)nc3ccccc32)cc1 5627655 BFORTRWJPUIVOG-AWEZNQCLSA-N 321.424 3.785 0 40 DHAB CCCCCCc1nn(-c2ccccc2)[n+](-c2ccccc2)n1 5792461 JKBMMNZUJFFGCT-UHFFFAOYSA-N 307.421 3.667 0 40 DHAB Nc1cc(N)nc(SCc2ccc(-c3ccccc3)cc2)n1 6831854 NFCFGEWPWDGFIO-UHFFFAOYSA-N 308.410 3.600 0 40 DHAB O=C(c1ccncc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104346 CGRXWFMZPREIEG-CQSZACIVSA-N 323.421 3.711 0 40 DHAB CCOC(=O)c1sc(NC(=O)c2cc(C)sc2C)nc1C 8132036 MTYMMKDDJNFUBS-UHFFFAOYSA-N 324.427 3.559 0 40 DHAB CC(C)Oc1ccc(C(=O)NCCSc2ccccc2)cc1 8480806 HTGZGIRKWFBJMO-UHFFFAOYSA-N 315.438 3.996 0 40 DHAB CCOc1cccc(C(=O)Nc2nonc2-c2ccc(C)cc2)c1 8916031 IHYAZMHRJLAALD-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C 11287776 UWUDHEASYTYRMW-HNICHSMRSA-N 312.413 3.606 0 40 DHAB O=C(Oc1ccc(/C=C/c2ccccn2)cc1)c1ccncc1 11858947 CCHCMTFQYCXECV-QPJJXVBHSA-N 302.333 3.866 0 40 DHAB Cc1cccc(-c2ocnc2C(=O)N[C@@H](C)c2ccccn2)c1 12115136 DGYPTMAZMGPRFV-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB Cc1cc2c(nc1C)sc1c(NCc3cccnc3)ncnc12 12322027 YRASPIVMTWQFCI-UHFFFAOYSA-N 321.409 3.863 0 40 DHAB CC(C)c1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 12528971 CIIGDULSVYGBRQ-GASCZTMLSA-N 317.429 3.756 0 40 DHAB C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@@H](C)O1 12536332 GURQSQVNVBEDBZ-GASCZTMLSA-N 310.397 3.680 0 40 DHAB O=C(COc1ccc(F)cc1Cl)N[C@H]1CCc2ccccc21 12910690 ADYZNXISRVOQJN-HNNXBMFYSA-N 319.763 3.662 0 40 DHAB Cc1nc2ccccc2nc1Sc1nnc(NC2CC2)s1 12914988 OFTQCORETKDCGT-UHFFFAOYSA-N 315.427 3.515 0 40 DHAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1Cc2ccccc2O1 12980329 DUYCDYJMTWFHCW-IBGZPJMESA-N 323.392 3.950 0 40 DHAB COc1c(OCC=C(C)C)c2occc2c2oc(=O)ccc12 13323043 QYROBYWPUVLPTM-UHFFFAOYSA-N 300.310 3.893 0 40 DHAB biogenic,in-vitro CCn1c(=O)n(Cc2cccc(C(F)(F)F)c2)c2ccccc21 14145518 INJZRBIEBHUAMN-UHFFFAOYSA-N 320.314 3.890 0 40 DHAB CSc1ncccc1C(=O)N1CCCSc2ccccc21 14246686 OZQQTKVIXIJLNB-UHFFFAOYSA-N 316.451 3.946 0 40 DHAB CN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)s1 15250310 PWFCGYIPHCACDB-LBPRGKRZSA-N 323.215 3.707 0 40 DHAB Fc1ccc(CCNCc2cccc(Br)c2)cc1 16386205 OLEVYDNFBXSGKT-UHFFFAOYSA-N 308.194 3.921 0 40 DHAB O=S(=O)(NC1CCCCC1)c1ccc(Cl)cc1Cl 16780100 RCFPDFNJCVRGPX-UHFFFAOYSA-N 308.230 3.604 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cnn(-c2ccccn2)c1C 19910962 ZZQCNUYXQMCPJJ-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB COc1ccccc1C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20141175 ZALLFNXUSBHEBM-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB Cc1ccc(Sc2ncccc2C(=O)NCC2CC2)cc1C 22972164 CODRIBJMOCGHFX-UHFFFAOYSA-N 312.438 3.989 0 40 DHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)oc2C)c1 24030607 STXCNKOMOMEONE-UHFFFAOYSA-N 314.385 3.631 0 40 DHAB Cc1c(Cl)cccc1NC1=NCC(=O)N1Cc1cccs1 26438580 ZIJHFZMQINNJNI-UHFFFAOYSA-N 319.817 3.520 0 40 DHAB Cc1ccc(-c2nnc(Sc3ncn[nH]3)c3ccccc23)cc1 27752723 VESAGDGHKKKKFX-UHFFFAOYSA-N 319.393 3.875 0 40 DHAB CC(C)(C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 29169781 ZFPQBDWPUGRYEZ-UHFFFAOYSA-N 322.408 3.951 0 40 DHAB N#Cc1ccc(F)c(CSc2nnc3[nH]c4ccccc4n23)c1 29808119 NZJSLTXDQVUYGX-UHFFFAOYSA-N 323.356 3.514 0 40 DHAB CC[C@H](CNC(=O)c1cc2ccccc2s1)N1CCCC1 32654049 RINUDAASZOHTDJ-CQSZACIVSA-N 302.443 3.506 0 40 DHAB O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccoc1 32906150 JQYZKXZYMMARAE-UHFFFAOYSA-N 303.211 3.612 0 40 DHAB CC[C@@H]1CCc2sc(C(=O)N(C)Cc3cccnc3)cc2C1 32967280 GPNGSVIXHUNFPN-CYBMUJFWSA-N 314.454 3.930 0 40 DHAB O=C(c1ccc(Br)o1)N1CCSc2ccccc21 32997901 CZPOTRCXXVJNEC-UHFFFAOYSA-N 324.199 3.795 0 40 DHAB COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccccc2)cc1 44818643 JKBWGMDEHDOGSM-AWEZNQCLSA-N 315.438 3.834 0 40 DHAB Cc1c([C@H](C)NC(=O)C[C@H](C)CCc2ccccc2)cnn1C 58218999 STGGLMJSJVYHFF-CABCVRRESA-N 313.445 3.565 0 40 DHAB O=C(c1cc(-c2ccccc2)on1)N1CCC(n2cccc2)CC1 58427240 GZUWDCPUQRYIGL-UHFFFAOYSA-N 321.380 3.620 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)cc2C)c1 60391486 SXXKQTHZUBUAKZ-UHFFFAOYSA-N 317.772 3.996 0 40 DHAB CCOc1cccc(NC(=O)[C@H](C)n2cnc3ccccc32)c1 65518973 LWOSSFXJGLBUBW-ZDUSSCGKSA-N 309.369 3.635 0 40 DHAB CCCc1noc([C@H](C)N(C)Cc2nc3ccccc3s2)n1 69348693 SSNGJIZYCSZBAZ-NSHDSACASA-N 316.430 3.825 0 40 DHAB CCc1nc(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)cs1 69366915 MIKMPBAFGQYEMH-JKSUJKDBSA-N 314.454 3.776 0 40 DHAB C[C@H](NCc1csc(-c2ccsc2)n1)[C@@H](C)n1cccn1 69372518 YXEKXFUUSREJKH-NWDGAFQWSA-N 318.471 3.807 0 40 DHAB Cc1ncc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)s1 72254919 FISNDCHZAIAHPD-LBPRGKRZSA-N 314.332 3.827 0 40 DHAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)[C@H]2CCCO2)n1 76042930 OCBPIBZCZVTNNP-QWHCGFSZSA-N 322.474 3.673 0 40 DHAB O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CCCSC1 79014495 AVGKVPNUFUKNOM-CYBMUJFWSA-N 319.455 3.827 0 40 DHAB COC(=O)c1cc(C(C)=O)ccc1OCc1cccc(Cl)c1 85397447 CQANPZFQIAKJHZ-UHFFFAOYSA-N 318.756 3.908 0 40 DHAB Cc1nc(COc2cccc(Oc3ncccn3)c2)sc1C 88520057 JDZCVSWWQHTHTC-UHFFFAOYSA-N 313.382 3.921 0 40 DHAB CCn1nc(C)c(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1C 89480839 VWXDUEQIMARMDV-CABCVRRESA-N 304.438 3.610 0 40 DHAB CCCC1CCC(CNCc2ccc(C(=O)NC)cc2)CC1 89949982 URCZUXFZEFIYEO-UHFFFAOYSA-N 302.462 3.742 0 40 DHAB Cc1noc(-c2cccnc2N2CCC[C@@H]2c2cccs2)n1 95402802 CDIPCVWGXCTDTO-CYBMUJFWSA-N 312.398 3.843 0 40 DHAB Cc1nc(S[C@H](C)C(F)(F)F)n(C[C@@H]2CCCO2)c1C 95427278 ORAPJXHLFRJGJT-MNOVXSKESA-N 308.369 3.722 0 40 DHAB CC(C)(C)c1ccc(-c2n[nH]c([C@@H](N)c3ccc(F)cc3)n2)cc1 95533333 DWZTVVBWUJRXCT-INIZCTEOSA-N 324.403 3.956 0 40 DHAB COc1ccccc1[C@H]1CCN(Cc2nc(C)c(C)s2)C1 95964891 PBMPSMYSGJPVTD-AWEZNQCLSA-N 302.443 3.758 0 40 DHAB CCc1c(C)nc2ccccc2c1NCCCOCCOC 95993833 ZJICSEPWOYEVNN-UHFFFAOYSA-N 302.418 3.571 0 40 DHAB CC(C)N(CCN(C)C)Cc1ccc(OC(F)F)c(Cl)c1 95997199 RQEWHLPVMSWXPZ-UHFFFAOYSA-N 320.811 3.713 0 40 DHAB Cc1ccc(F)c(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 96416784 KDJVWBZLDUHWTM-OAHLLOKOSA-N 315.344 3.554 0 40 DHAB CCOCc1ccccc1NC(=O)N[C@@H]1CC[C@@H](SC)C1 96434247 WZHAPNAXDYEIEQ-ZIAGYGMSSA-N 308.447 3.629 0 40 DHAB COc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c(C)c1 96468144 FJXQNNMYSHCYGR-UHFFFAOYSA-N 314.360 3.969 0 40 DHAB CN(Cc1ccc(F)cc1)C(=O)CNc1cccc(Cl)c1F 96971732 RNJXGIBGNHZUCP-UHFFFAOYSA-N 324.758 3.689 0 40 DHAB COc1ccc2cc([C@@](F)(C(=O)O)C(F)(F)F)ccc2c1 98174845 BLSHKNSWCKJOLB-CYBMUJFWSA-N 302.223 3.660 0 40 DHAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1Cc1ccc(Cl)cc1 106688289 FOPNRWMEKHQHNZ-JYRVWZFOSA-N 318.785 3.905 0 40 DHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@H]1Cc1ccc(F)cc1 106832922 PTQDXIUOPPQAQY-YESZJQIVSA-N 313.372 3.756 0 40 DHAB Cc1ccc(CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 107543112 DDKDPTQXGQIBLJ-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2cccc(C)c2)cc1 171477149 GINRCYJXUUJJMS-UHFFFAOYSA-N 307.440 3.542 0 40 DHAB CCSc1ccccc1C(=O)NC[C@@H](OC)c1ccco1 206860406 ZAJRJLBVKNMOLU-CQSZACIVSA-N 305.399 3.509 0 40 DHAB CCOc1ccc(CNC(=O)c2ccccc2OC(C)C)cc1 219740507 OJFSNBZMRGVVLH-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB Cc1ccc(CNC(=S)Nc2ncc(Cl)cc2Cl)o1 223903614 LOEXIWSGVGRGLZ-UHFFFAOYSA-N 316.213 3.776 0 40 DHAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC2CCCC2)cn1 224035026 ZXCCPBFSHDCMJO-CYBMUJFWSA-N 318.490 3.689 0 40 DHAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1OC 225091016 SIALXHNXIWWQBA-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB Cc1cc(C)nc(Nc2ccc(C(=O)NCC(C)(C)C)cc2)n1 225913250 DTJVNTVIBYTLTR-UHFFFAOYSA-N 312.417 3.613 0 40 DHAB Cc1cn(C)c([C@H]2CCN(Cc3ccc(Cl)cc3F)C2)n1 257232654 GLVWGNHKYJGHKU-ZDUSSCGKSA-N 307.800 3.511 0 40 DHAB COc1ccccc1-c1cc(C[C@@H]2CCCN(C(C)=O)C2)ccn1 257293783 QRECHRBOSQENCV-KRWDZBQOSA-N 324.424 3.558 0 40 DHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(F)cc2)S1 260766391 JVBNWAJNBJPUEQ-XFBWCDHKSA-N 313.401 3.810 0 40 DHAB Cc1ccsc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409167441 LBJFULZSBAEQAS-XYOKQWHBSA-N 318.785 3.807 0 40 DHAB CCOC1(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)CCCC1 585081207 NFNTXBFLIJCPEZ-KRWDZBQOSA-N 301.430 3.660 0 40 DHAB Cc1c(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cccc1N(C)C 666572347 OYFWZWBFVOLPBM-SCLBCKFNSA-N 323.440 3.911 0 40 DHAB CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O 52078 FKRFVQBBBINMFD-MSOLQXFVSA-N 303.402 3.852 0 40 DHAB O=C(CSCc1ccccc1)Nc1nc2c(s1)CCCC2 574041 CIUSUNFGIZRJQO-UHFFFAOYSA-N 318.467 3.894 0 40 DHAB Cc1ccc(Sc2nc(C)cc(C)c2S(C)(=O)=O)cc1 1393812 RYEOOWOHEQXBFJ-UHFFFAOYSA-N 307.440 3.562 0 40 DHAB O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccccc1 1430575 GBIRXLGLSMTIBI-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN(C)C1CCCCC1 1475841 ZCFFHUFCOKRLKD-QGZVFWFLSA-N 305.462 3.814 0 40 DHAB Cc1sc2[nH]c(=S)n(-c3ccc(F)cc3)c(=O)c2c1C 2619150 QIGYSHUNXHHHHP-UHFFFAOYSA-N 306.387 3.866 0 40 DHAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)O 2650112 AIELZGSDUQDZTQ-VOTSOKGWSA-N 311.168 3.644 0 40 DHAB CCOc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 3403279 UEERRTNHJSHQOV-UHFFFAOYSA-N 323.348 3.606 0 40 DHAB CC1CCC(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 3438833 YZOJSJPBMAAXIP-PVARCSIZSA-N 317.429 3.553 0 40 DHAB Cc1nnc(C)c2c(C)n(-c3ccc(Br)cc3)nc12 4532469 STALAHHNRLDFBS-UHFFFAOYSA-N 317.190 3.503 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccco1 4677365 OLSMZQWSCXONLH-UHFFFAOYSA-N 307.777 3.717 0 40 DHAB Cc1ccccc1-c1noc(COC(=O)c2ccccc2F)n1 6059195 PXAGQZUBCLCQAM-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB CN(Cc1ccccc1Cl)C(=O)c1cc(Cl)ccc1O 6993743 YXMMKLCQBIXHRP-UHFFFAOYSA-N 310.180 3.971 0 40 DHAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1 8267748 FYFVMLPYTYOCIF-UONOGXRCSA-N 306.837 3.791 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([C@H](C)O)c1 8382814 FKJFGXYWMKEKJF-RYUDHWBXSA-N 319.788 3.799 0 40 DHAB O=C(NCCCOC1CCCCC1)c1ccc2ncsc2c1 11355828 JTOCAPPTKFVJJK-UHFFFAOYSA-N 318.442 3.766 0 40 DHAB Cc1cc(Br)ccc1NC(=O)CCc1ccco1 12600231 FMZMPSLBPPFQSV-UHFFFAOYSA-N 308.175 3.922 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 12751895 CAXWEAMLWUFJGB-OAHLLOKOSA-N 312.344 3.507 0 40 DHAB Cc1cc(O[C@H](C)C(=O)N2CCC[C@H](C)C2)cc(C)c1Cl 13676113 XOUASRJDMGZXOV-SMDDNHRTSA-N 309.837 3.983 0 40 DHAB Clc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 19788321 XLOBFAUBASFTED-SOLBZPMBSA-N 316.876 3.670 0 40 DHAB Cc1ccc(N)cc1NC(=O)c1ccccc1Br 20343265 ISYBAULCYXJOCR-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 20450786 YBOSKBAYSIIXQR-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB O=C(COc1cccc2[nH]ccc12)Nc1ccccc1Cl 20739754 FAMPTVSKOBLYET-UHFFFAOYSA-N 300.745 3.839 0 40 DHAB Cc1nc(NC(=O)CCc2ccco2)sc1-c1ccccn1 23502656 ONIFXNARDYHUQN-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 28225065 RBISSUZCUKWTRF-GFCCVEGCSA-N 304.415 3.783 0 40 DHAB C[C@H](NC(=O)NC1CCC(C(F)(F)F)CC1)c1ccccn1 29732460 SQJZZYCWDXSSMG-UNXYVOJBSA-N 315.339 3.563 0 40 DHAB CC(C)c1ccc(NC(=O)c2cnn(C)c2-n2cccc2)cc1 30814331 KAZATTLAWGFIML-UHFFFAOYSA-N 308.385 3.587 0 40 DHAB O=C(Cc1cccs1)Nc1ccc(-n2cc(Cl)cn2)cc1 32610478 NJUWAPNRIGCXKA-UHFFFAOYSA-N 317.801 3.768 0 40 DHAB CCC(C)(C)NC(=O)c1sc(Cc2ccccc2)nc1C 32967742 VOKKISOXLGYXCI-UHFFFAOYSA-N 302.443 3.961 0 40 DHAB NC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCCCC1 39789204 HOPXZCVDKWEDPB-FQEVSTJZSA-N 310.441 3.751 0 40 DHAB O=C(O)c1cc(C2CC2)n2nc(-c3cccc(Cl)c3)cc2n1 41566705 WDOLNYBYHMOBCG-UHFFFAOYSA-N 313.744 3.625 0 40 DHAB CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2[nH]cnc2c1 45409497 GKLHZUQAOWFVLT-UHFFFAOYSA-N 315.323 3.503 0 40 DHAB COc1cc(Br)c2oc(-c3cccnc3)nc2c1 45920260 CZQWYPNFZBOVNE-UHFFFAOYSA-N 305.131 3.661 0 40 DHAB CC(C)n1ncc2cc(NC(=O)N(C)Cc3ccccc3)cnc21 48064093 HTVGJTJUWNRRGB-UHFFFAOYSA-N 323.400 3.676 0 40 DHAB CCOc1ccc2cc(C(=O)N[C@H](C)c3ccc(C)o3)[nH]c2c1 48366853 VXXJXIHYZHSZQA-GFCCVEGCSA-N 312.369 3.959 0 40 DHAB O=C(c1cc(-c2ccccc2)no1)N(Cc1ccncc1)C1CC1 58327974 WJFMKGTXCWKSTG-UHFFFAOYSA-N 319.364 3.541 0 40 DHAB Cc1cc(Br)oc1C(=O)N(C)[C@H](C)c1cccnc1 68172909 HQWKCHZHQVITEJ-SNVBAGLBSA-N 323.190 3.579 0 40 DHAB O=C(c1ccc[nH]1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 71416258 JYVJIODVSLTJNO-CYBMUJFWSA-N 318.367 3.778 0 40 DHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)s1 71827905 ZXEBBXXEGPQGRZ-GFCCVEGCSA-N 303.431 3.746 0 40 DHAB CC(C)c1nc([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)no1 72270321 SSCXGOTUZSFKAM-OAHLLOKOSA-N 317.433 3.790 0 40 DHAB CC(C)(C)[C@@H](Cc1ccccc1)Nc1cc(Cl)nc(N)n1 72286528 NIFYFTBOZRTYLR-GFCCVEGCSA-N 304.825 3.782 0 40 DHAB O=C(NCc1cccc(Cl)c1)c1cn[nH]c1-c1ccccc1 72328815 REXZGRKJRANHAV-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1Cl 78896935 NMPUDUNWAMLGKL-GDZNZVCISA-N 320.864 3.638 0 40 DHAB FC(F)(F)CCN(c1ncc(Br)cn1)C1CCC1 79055905 NXWIQXZAOAQIKR-UHFFFAOYSA-N 324.144 3.550 0 40 DHAB CCN(C(=O)c1ccc(-n2cccc2)nc1)c1cccc(F)c1 84524234 XMEPLZAZZBMZNK-UHFFFAOYSA-N 309.344 3.678 0 40 DHAB CCCC(=O)c1cc(Br)c(O)c(Br)c1 88120938 DNWDQTHQRRJOET-UHFFFAOYSA-N 321.996 3.900 0 40 DHAB CC(C)c1noc(CCN[C@H](C)c2ccc(F)c(Cl)c2)n1 89577076 KLNFPNOYGIXSAU-SNVBAGLBSA-N 311.788 3.879 0 40 DHAB COC(C)(C)C[C@H](C)NC(=O)Nc1cccc(-c2ncco2)c1 89894789 SZFWRMNJKHGTSS-LBPRGKRZSA-N 317.389 3.667 0 40 DHAB C[C@H](CSC(C)(C)C)N[C@H]1CCO[C@]2(CCSC2)C1 90540296 XNPBLQRQYDQCNS-VNHYZAJKSA-N 303.537 3.551 0 40 DHAB CC[C@@H](CSC)N(C)C(=O)NCc1ccnc2ccccc12 91226417 DIJSJMLNULFXBL-AWEZNQCLSA-N 317.458 3.518 0 40 DHAB Cc1noc(C)c1-c1nc2cc(F)c(Br)cc2[nH]1 95442611 RXBAFYIFMJVDAQ-UHFFFAOYSA-N 310.126 3.736 0 40 DHAB CC1(C)C[C@@H](NC2CCN(C3CC3)CC2)c2ccccc2O1 95967057 UBBBNDQTVXGESI-QGZVFWFLSA-N 300.446 3.505 0 40 DHAB Cc1ncc(Cl)c(C(=O)N2CCC3(CCCCC3)CC2)n1 96418672 FZWHSJKGMCLHTM-UHFFFAOYSA-N 307.825 3.625 0 40 DHAB CSCC(=O)Nc1ccc(OCc2ccc(Cl)cn2)cc1 97095009 YPUTWBAOSLKIRT-UHFFFAOYSA-N 322.817 3.616 0 40 DHAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)/C=C/c1ccccc1)C2 100424218 FSKCEIFLUVCKHY-JUFISIKESA-N 312.457 3.612 0 40 DHAB CC1=NN(c2ccccc2)C(=N)/C1=N/Nc1ccccc1Cl 111912370 OOZMJFOCCKUUII-ALKJHRAUSA-N 311.776 3.981 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](C)c1ccccc1 224616346 YCDLLOVYXHNXTI-RHSMWYFYSA-N 315.388 3.903 0 40 DHAB COc1cccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225099524 AUNHXTGLLDUSRW-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB COc1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)cc1 225102768 SOKDUDZNIZPEAC-LJQANCHMSA-N 322.360 3.923 0 40 DHAB Nc1ccc(C2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 225325471 AIYQWFHFDAJHLA-UHFFFAOYSA-N 320.314 3.958 0 40 DHAB CCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225883381 CXLVSSGBZLECLD-QGZVFWFLSA-N 308.422 3.569 0 40 DHAB O=C(CCc1cccnc1)N[C@H]1[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 409412764 AGOQOTOIUNIUBI-VURPSTOHSA-N 320.436 3.713 0 40 DHAB CN(Cc1csc(-c2ccccc2)n1)C[C@H]1CCCCO1 535830355 SVQPFZSOPIOVNJ-MRXNPFEDSA-N 302.443 3.811 0 40 DHAB O=C(O)c1cc2cccc(C(F)(F)F)c2nc1OCC1CC1 685936822 BJFVKOGRUQIVBY-UHFFFAOYSA-N 311.259 3.741 0 40 DHAB FC(F)(F)COc1ccnc2ccc(Br)cc12 685937300 GJXQEZCNTHSHJT-UHFFFAOYSA-N 306.081 3.938 0 40 DHAB CCOC(=O)c1nc(Nc2ccc(OC)cc2)c2ccccc2n1 145891 GSFBLAPKUOMYIP-UHFFFAOYSA-N 323.352 3.559 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)c(OC)c1 147313 FHIXDLPMOYIBGT-WONIAPNHSA-N 311.381 3.594 0 40 DHAB CCCSc1nc(N)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 2216239 FRWBCUIENOTJQN-SNVBAGLBSA-N 323.487 3.873 0 40 DHAB COc1ccc(CNC(=O)c2csc3c2CCCC3)cc1 2761654 HMNWOROYITZKHK-UHFFFAOYSA-N 301.411 3.566 0 40 DHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1c(F)cccc1Cl 3256048 YBLYYISEQQRAGS-UHFFFAOYSA-N 324.783 3.624 0 40 DHAB CN(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 3289082 JEYBRFSQIVFTTM-HNNXBMFYSA-N 320.795 3.512 0 40 DHAB O=C(O[C@H]1CCCC1=O)c1c2c(nc3ccccc13)CCCCC2 3561489 JIDIYDKHYCTORA-SFHVURJKSA-N 323.392 3.782 0 40 DHAB CC(C)(C)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4177194 JZNVZOSQHNRGIC-UHFFFAOYSA-N 319.474 3.991 0 40 DHAB C[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 5047446 KKMKFXQJFZBTKW-LURJTMIESA-N 304.202 3.688 0 40 DHAB CC(=O)N1CCCc2ccc(NC(=O)c3ccc(C)cc3)cc21 5252250 BEPJOKCVJUTMGC-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB CC1(C)CC(=O)OC/C=C\C[C@H](Cc2ccccc2)C(=O)C1 5373855 OGKONHYBENQTGO-MWWKQMNYSA-N 300.398 3.724 0 40 DHAB O=Cc1c2cnc(c1O)CSCc1ccc(cc1)CSC2 5518704 HSJJDPJFYAMOCA-UHFFFAOYSA-N 317.435 3.780 0 40 DHAB COc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)c1 6187819 ATXYZICSFQUNQU-UHFFFAOYSA-N 300.383 3.585 0 40 DHAB CC1(C)COC(c2ccccc2NC(=O)c2ccco2)OC1 6668281 VMOSRMNMEHWJOT-UHFFFAOYSA-N 301.342 3.604 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1ccccc1OC(F)F 6948147 CZIKEQXSUOSQJR-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB Nc1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 8419626 AIIGVAJXWUCFOI-UHFFFAOYSA-N 307.425 3.768 0 40 DHAB COc1ccc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 8723948 PMBDTOXHFNBWRI-UHFFFAOYSA-N 308.381 3.723 0 40 DHAB CC[C@@H](Nc1ccc(C(C)C)cc1)C(=O)Nc1cc(C)on1 8780300 OYJQHANHGALEOJ-OAHLLOKOSA-N 301.390 3.936 0 40 DHAB CCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9136356 BVOFBCMONOGXMF-UHFFFAOYSA-N 308.381 3.515 0 40 DHAB COc1ccc(OC)c(C(=O)c2oc3cc(N)ccc3c2C)c1 9423156 QXMWORIDJXJHHV-UHFFFAOYSA-N 311.337 3.572 0 40 DHAB biogenic O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc2ccccc2[nH]1 9897662 OARCNPFXPPUDGJ-UHFFFAOYSA-N 319.364 3.769 0 40 DHAB COc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1OC 11204694 YKSLKWUTBXHARH-SFHVURJKSA-N 311.381 3.585 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(Cc3cccs3)o2)cc1C 11694641 REEBORBFXAIMDH-UHFFFAOYSA-N 313.382 3.591 0 40 DHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 13948904 RDXOADRXFYLSEP-UHFFFAOYSA-N 309.475 3.937 0 40 DHAB CCc1ccc(-c2nn(-c3ccccc3C)cc2C(N)=O)cc1 14238115 JYFBEXIQDLJXAB-UHFFFAOYSA-N 305.381 3.509 0 40 DHAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccncc1)C1CC1 16499803 ACHCOKAPPCUUTJ-UHFFFAOYSA-N 301.777 3.932 0 40 DHAB Cc1ccc2[nH]c3c(=O)n(C[C@H](C)c4ccccc4)cnc3c2c1 16841711 ACFVCOYRHHFFGU-AWEZNQCLSA-N 317.392 3.990 0 40 DHAB O=C(O)CCSc1nnc(-c2ccccc2)c2ccccc12 19862002 ZLNLKXFCGLVGPC-UHFFFAOYSA-N 310.378 3.864 0 40 DHAB C[C@H]1CN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C[C@@H](C)O1 20963688 JETKPNKLDQCJMG-TUAOUCFPSA-N 321.808 3.560 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)[C@@]1(C)CC1(Cl)Cl 22192118 NAOQFXRZAFBAQJ-CQSZACIVSA-N 314.212 3.558 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(C)cc1 25368136 XFSZSWBIXQHOMT-QGZVFWFLSA-N 321.417 3.705 0 40 DHAB CCCc1cc(C(=O)Nc2ccc(Br)cc2C)[nH]n1 25600420 WDKXUHXXWPBHOT-UHFFFAOYSA-N 322.206 3.685 0 40 DHAB Cc1nsc(NC(=O)c2oc3ccc(Cl)cc3c2C)n1 27663201 YREONIMTDIWTJG-UHFFFAOYSA-N 307.762 3.807 0 40 DHAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccco1 28229815 CNAHQMUEGBYRJW-UHFFFAOYSA-N 319.723 3.569 0 40 DHAB COc1ccccc1OCC(=O)Nc1ccc(C)c2ncccc12 31082665 STEHFUUFFXYKSM-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 36738577 BMYWZGPANCMFCL-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CC(=O)c1cccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 40005405 RPQBOKGMJFXCFG-LSDHHAIUSA-N 324.424 3.610 0 40 DHAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCc2sccc2C1 40145271 NXHOMOHEGUJJOL-UHFFFAOYSA-N 317.458 3.515 0 40 DHAB COc1cccc(CN(C)Cc2ccccc2Cl)c1OC 40161693 UJMHZGDDDSVVSZ-UHFFFAOYSA-N 305.805 3.989 0 40 DHAB c1ccc(N2CCCC2)c(CNc2cnc3ccccc3n2)c1 49979849 YVMFAWIHYUDRSC-UHFFFAOYSA-N 304.397 3.842 0 40 DHAB Cc1nc2ccccc2nc1COC(=O)C=C(C1CC1)C1CC1 56293737 NJWKOLZIYBZVOL-UHFFFAOYSA-N 308.381 3.728 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@H](C(F)(F)F)C1 57364827 XPGZLRDEVVZJIF-LBPRGKRZSA-N 324.346 3.933 0 40 DHAB c1ccc(-c2cc(CN3CCN(c4ccccc4)CC3)on2)cc1 57373635 VGIKYJSTODRJCT-UHFFFAOYSA-N 319.408 3.664 0 40 DHAB COCc1cccc(C(=O)Nc2cc(-c3cccs3)n[nH]2)c1 58198131 OUOXSWPHHRNEAF-UHFFFAOYSA-N 313.382 3.537 0 40 DHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccncc1)c1ccccc1Cl 58202377 QLVRHFHMCDPTRS-NILFDRSVSA-N 300.789 3.716 0 40 DHAB O=C(NCc1cn2ccsc2n1)c1occc1-c1ccccc1 58306587 PMPXSNQGUUZDLO-UHFFFAOYSA-N 323.377 3.586 0 40 DHAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)C1CCCC1 61315287 GFUNIAXDCYBUBA-UHFFFAOYSA-N 320.396 3.608 0 40 DHAB O=C(NO[C@@H]1CCCCO1)c1ccc(-c2ccccc2Cl)o1 69417458 ZHMNXZIIWQUWGL-OAHLLOKOSA-N 321.760 3.788 0 40 DHAB CC(C)n1cc(CN[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cn1 69737077 VOJSNJMAKVYJAY-LLVKDONJSA-N 317.824 3.845 0 40 DHAB O=C(NCc1cccnc1)N[C@H](c1ccc(F)cc1)C1CCC1 71803846 JFPNIIKCFIKQJZ-KRWDZBQOSA-N 313.376 3.561 0 40 DHAB C[C@H](SCc1ccccc1C(F)(F)F)C(=O)NC1CC1 71818606 PWJSMDJRZQJJSE-VIFPVBQESA-N 303.349 3.606 0 40 DHAB C[C@@H](Cc1ccncc1)OC(=O)Cc1csc(C(C)(C)C)n1 72310818 FLXFLDDCCDSLPQ-LBPRGKRZSA-N 318.442 3.553 0 40 DHAB Cc1cnc2[nH]c(C(C)C)c(CN3C[C@H](C)O[C@H](C)C3)c2c1 72395262 VMCZPRQLNYTVSC-OKILXGFUSA-N 301.434 3.604 0 40 DHAB CC1(C(=O)NCc2nnc(-c3ccc(Cl)cc3)o2)CCCC1 75141286 AICLUYUDZXCSGJ-UHFFFAOYSA-N 319.792 3.587 0 40 DHAB CS[C@@H]1CCC[C@@H](NC(=O)CNc2ccccc2Cl)C1 76016961 WBUDKMAMECZSHU-VXGBXAGGSA-N 312.866 3.542 0 40 DHAB Cc1nc2ccc(NC(=O)N[C@@H](C)c3nccs3)cc2s1 78602668 XQTZDAUFDBPTLY-QMMMGPOBSA-N 318.427 3.944 0 40 DHAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1csc(C2CC2)n1 79036767 YCESGDLYRPXDKG-MRVPVSSYSA-N 322.817 3.871 0 40 DHAB C[C@H](CCn1cncn1)N[C@@H]1CCSc2ccc(Cl)cc21 95421073 IRRGBWPQHMTZHE-BXUZGUMPSA-N 322.865 3.537 0 40 DHAB CC[C@@H]1CCCN(C[C@@H]2CO[C@H](c3ccc(Cl)cc3)O2)C1 95448091 FDFYOMATIOQVAJ-XYPHTWIQSA-N 309.837 3.876 0 40 DHAB Cc1cc(N(C)CCC2CC2)nc([C@H](C)N(C)CCC2CC2)n1 95452733 QQKZAWVVDDGGFZ-HNNXBMFYSA-N 316.493 3.814 0 40 DHAB CC(C)(C)SCCCC(=O)Nc1cccc(-n2cnnc2)c1 96484002 BEBOCOXNRRAEFY-UHFFFAOYSA-N 318.446 3.518 0 40 DHAB CC(=O)c1cc(Br)cc(F)c1OCc1ccccn1 96501884 OTFCOACSORLMLV-UHFFFAOYSA-N 324.149 3.765 0 40 DHAB Cc1nc(N2CCCC2)ccc1N[C@H](C)c1ccc(F)cn1 97038347 DYDFLPAFQNLDAJ-GFCCVEGCSA-N 300.381 3.697 0 40 DHAB CCN(CC)Cc1ccccc1NC(=O)c1csnc1C 97080365 KDBWDDZBEBHSFN-UHFFFAOYSA-N 303.431 3.546 0 40 DHAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCC3(CCOCC3)C2)c1 98014380 ZZMVGPNRCAZYJO-INIZCTEOSA-N 316.445 3.577 0 40 DHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 102592443 VJRPJNBJMCEWNR-OASPWFOLSA-N 311.303 3.631 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)c1cccc(F)c1 108349558 GECNABCVDDQAIG-HYVNUMGLSA-N 315.344 3.519 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)c1cnn(Cc2ccccc2)c1 120732127 COASDXAGVKBUOO-HNNXBMFYSA-N 317.392 3.523 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 224418860 HSRZUJOLLFXDIG-CVEARBPZSA-N 311.425 3.936 0 40 DHAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccccc1OC 224599923 HOXOUCUKBXAZHP-GJZGRUSLSA-N 307.434 3.795 0 40 DHAB Cc1nccc([C@@H]2CCCN2Cc2ccccc2N2CCCC2)n1 257258713 KVEZHKZGIDCTKL-FQEVSTJZSA-N 322.456 3.722 0 40 DHAB O=C(c1cc(Br)cs1)C(F)(F)C(F)(F)F 308797720 LCHHRYBNYACNDA-UHFFFAOYSA-N 309.053 3.891 0 40 DHAB N#Cc1cccc(C(=O)NCCc2ccc(-c3ccoc3)s2)c1 390829657 FSLSBWOOOVWILX-UHFFFAOYSA-N 322.389 3.852 0 40 DHAB Cc1cc(C)n([C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 408734043 FUMBWKKVZOJQIA-SFHVURJKSA-N 305.381 3.728 0 40 DHAB CC(C)c1nc(C2CCN(Cc3ncccc3Cl)CC2)no1 528362629 AYUCCSNJMCEGPM-UHFFFAOYSA-N 320.824 3.621 0 40 DHAB CNC(=S)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442969 MJSAXMCSMNONFK-UHFFFAOYSA-N 323.425 3.723 0 40 DHAB C[C@H](CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1 383095 BVODEVLJXZALEU-QGZVFWFLSA-N 323.436 3.846 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccccc2)cc1 1981085 FWIRVBAPKSAUOB-VOMSXAGXSA-N 309.365 3.579 0 40 DHAB CC(C)(C)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3240019 OWPHFCDYXIDDGM-UHFFFAOYSA-N 324.376 3.690 0 40 DHAB CSc1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1 3325831 UKBMLEVYQQWZNT-UHFFFAOYSA-N 307.444 3.810 0 40 DHAB CCOc1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 3458257 HGWHJTZLXDERKI-UHFFFAOYSA-N 323.751 3.895 0 40 DHAB Cn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1 4287914 VFHSGUXBMXXUGO-CYBMUJFWSA-N 321.833 3.739 0 40 DHAB Nn1c(SCc2ccc(-c3ccccc3)cc2)nnc1C1CC1 8134778 YTOVLYQKTMMLLG-UHFFFAOYSA-N 322.437 3.829 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)cc1 8480015 VNIMHIZBVVLFIV-HNNXBMFYSA-N 303.333 3.630 0 40 DHAB COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 9647820 ARYTWXCCYIJGNQ-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C 10213847 SBRKYEBEXAFTLN-SNVBAGLBSA-N 318.804 3.979 0 40 DHAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(F)cc2)cc1 11117834 FYYYLMOPGYGTHV-UHFFFAOYSA-N 315.388 3.976 0 40 DHAB Cc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1C 11128657 QJEKJGQCDCOPGY-GOSISDBHSA-N 312.388 3.874 0 40 DHAB O=C(Cc1ccccc1)N[C@@H]1CCSc2c(F)cccc21 12811143 LCPYDQSWTNZFDZ-OAHLLOKOSA-N 301.386 3.722 0 40 DHAB CCN(CC(=O)NCc1cccs1)Cc1cc(C)ccc1C 12984343 SBNLJYLVMGMRTB-UHFFFAOYSA-N 316.470 3.503 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 13596258 VVNJPKGURMZZKG-GFCCVEGCSA-N 301.773 3.697 0 40 DHAB COc1ccc(OCCC(=O)NC2CCCCCCC2)cc1 15593439 FUTKLXONKMYEHA-UHFFFAOYSA-N 305.418 3.693 0 40 DHAB CC(C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCC2 15636763 CCUDEHAECMSFCT-UHFFFAOYSA-N 316.426 3.773 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1cc(C)cc(C)c1 17970724 KITNAPGUTVFKEL-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB CC[C@@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20110245 DYSFXWNLTNZXAF-CYBMUJFWSA-N 305.399 3.556 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1 20454803 DOASFLVLWVOQGK-ZDUSSCGKSA-N 323.845 3.829 0 40 DHAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(F)cc1 20493319 FHYDFSRIUPVRMV-ZDUSSCGKSA-N 303.402 3.764 0 40 DHAB CCOc1c(Cl)cc(Cl)cc1CNCCN(CC)CC 22074950 FOZGWUQNSKIKDM-UHFFFAOYSA-N 319.276 3.824 0 40 DHAB CC[C@@H](C)Nc1ncnc2c1cnn2-c1cc(Cl)ccc1C 24013003 CJUSROLDXWEYGV-LLVKDONJSA-N 315.808 3.988 0 40 DHAB Cc1ccc(CN(C(=O)c2cn3c(C)cccc3n2)C2CC2)cc1 25764475 LTQOZTPLJMTQAF-UHFFFAOYSA-N 319.408 3.756 0 40 DHAB O=C(CCc1ccccc1)Nc1cnn(Cc2ccccc2)c1 28303562 KBAMGURMTLZBRC-UHFFFAOYSA-N 305.381 3.503 0 40 DHAB O=C(Cc1cccs1)N(Cc1cccc2[nH]ccc12)C1CC1 32093963 GCMDMSMPMATQQR-UHFFFAOYSA-N 310.422 3.963 0 40 DHAB Cc1ccc(CN(C)[C@H](C)C(=O)N2CCc3ccccc32)c(C)c1 32739757 HEPKGBCEDQVFCN-QGZVFWFLSA-N 322.452 3.713 0 40 DHAB CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=O)cs1 38342158 PZLQWLRSLIAFNI-UHFFFAOYSA-N 314.288 3.659 0 40 DHAB in-vitro COc1ccc(S[C@H](C)C(=O)NCCc2ccsc2)cc1 40153986 MPXQGBUMSYUFCQ-GFCCVEGCSA-N 321.467 3.596 0 40 DHAB Cc1ccccc1NC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 41077088 ORKZNROCRSPFIG-UHFFFAOYSA-N 321.380 3.500 0 40 DHAB CC(C)Cc1noc([C@H]2CCCCN2C(=O)c2cccs2)n1 41123406 UZCXHSFYKDMXEA-GFCCVEGCSA-N 319.430 3.697 0 40 DHAB Cc1ccc(C2=N/C(=C3/Nc4ccccc4S3)C(=O)O2)cc1 41154883 YBXIGTWXCFKPJH-PEZBUJJGSA-N 308.362 3.685 0 40 DHAB COc1ccc([C@H](CC(C)C)C(=O)O)cc1Br 41511866 FRXNSYCLGKFMOR-JTQLQIEISA-N 301.180 3.672 0 40 DHAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(Cl)cc1F 43212679 WCSDZHCWTBBEQV-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C(C)(C)C)C1 48344969 OUXGLXZPBCAJKI-IYBDPMFKSA-N 316.489 3.827 0 40 DHAB Cc1cccnc1NC(=O)c1ccnc(OCc2ccccc2)c1 53760726 MYHZFVWSPAWRAQ-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB Cc1sc2ncnc(SCC(=O)OC[C@@H]3C[C@H]3C)c2c1C 63246537 PHFYALGTPBROQG-KCJUWKMLSA-N 322.455 3.599 0 40 DHAB Cc1ncsc1C(=O)NCC1(Sc2ccccc2)CC1 68215200 JZNJQDYPRLMSAA-UHFFFAOYSA-N 304.440 3.506 0 40 DHAB O=C(CCN1CC[C@H](c2ccccc2)C1)Nc1ccc(F)cc1 69593491 WVYPCPOGFCBYFR-INIZCTEOSA-N 312.388 3.644 0 40 DHAB Cc1noc([C@H](C)NC(=O)Nc2ccccc2C(C)(C)C)n1 69771408 IDYKFCBHPMSIBR-JTQLQIEISA-N 302.378 3.558 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1csc(COC)n1 71830949 VULIDBJWSVLQNB-GFCCVEGCSA-N 322.455 3.501 0 40 DHAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1)C1CCC1 72215485 QGODZYHMWNCJMK-OAHLLOKOSA-N 317.433 3.800 0 40 DHAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1 72253571 QAJXZFNKPRZJID-AWEZNQCLSA-N 316.449 3.660 0 40 DHAB CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1 72297258 YMNABLYBUQBHTB-LBPRGKRZSA-N 303.431 3.614 0 40 DHAB Cc1ccoc1C(=O)N1CCC[C@@H](c2nc(C)c(C)s2)C1 72297449 UGEFLZVVINYYOF-CYBMUJFWSA-N 304.415 3.681 0 40 DHAB Cc1c(C(=O)Nc2ccc3[nH]ccc3c2)cnn1-c1ccccc1 79482338 IQECIYAXBUQDDE-UHFFFAOYSA-N 316.364 3.914 0 40 DHAB Nc1ncc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)s1 89263058 BDKDXTXUZBBHOZ-UHFFFAOYSA-N 313.169 3.749 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc(C)c(O)c2)s1 89440551 NXTOJDQQODLUNC-GFCCVEGCSA-N 318.442 3.536 0 40 DHAB CC[C@@H](c1ccc(Br)cc1)N(C)Cc1cnccn1 89947794 UNJJQHPFGLAOPV-HNNXBMFYSA-N 320.234 3.822 0 40 DHAB Cc1cc([C@H](C)NC(=O)N2CCc3cc(F)ccc3C2)c(C)o1 91710293 GHYZOKXUHHDCFE-LBPRGKRZSA-N 316.376 3.864 0 40 DHAB Cc1ccc([C@H](C)NCCc2nccn2Cc2ccccc2)o1 95420013 WWJRVQASSAKUIC-INIZCTEOSA-N 309.413 3.726 0 40 DHAB CC[C@@H](NC(=O)NCc1cccc(Cl)c1)c1c(C)noc1C 95441247 OKERUDMJPIBTLG-CQSZACIVSA-N 321.808 3.895 0 40 DHAB CCc1nnc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)n1C 97000414 KXFRILRIIAGAPZ-VIFPVBQESA-N 313.232 3.535 0 40 DHAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccco3)n2C)cc1 100163442 JSOONLWDVGTLNT-ZCXUNETKSA-N 312.394 3.705 0 40 DHAB Cc1ccc(OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 100626565 XGCHIJHRKMTYLA-BEFAXECRSA-N 301.430 3.801 0 40 DHAB Cc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(Cc2ccccc2)C(=O)N1 101085254 JXRHYNULHVDFOW-QFBILLFUSA-N 308.381 3.760 0 40 DHAB BrC1(Br)[C@@H]2[C@H]3CCC4CC[C@H](C43)[C@H]21 104283568 LCNLPNXCTKUEMJ-XGXLQIPLSA-N 306.041 3.785 0 40 DHAB Fc1ccc(NC(=S)NCCCc2ccccc2)cc1F 225385124 DXAXMJWZDKHDDQ-UHFFFAOYSA-N 306.381 3.884 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1F 225394794 OQTZRDLGRBBNRS-ZDUSSCGKSA-N 301.361 3.942 0 40 DHAB CC[C@@H](CNC(=S)Nc1cc(C)ccn1)Cc1ccccc1 225633918 IJWBYRGYGODTGI-OAHLLOKOSA-N 313.470 3.945 0 40 DHAB CCc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1 226034499 HYFBTKOCNSKQFQ-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 226349547 KQZXNCQRUVLNOR-UHFFFAOYSA-N 304.777 3.962 0 40 DHAB O=C(O)CCCCCCC(=O)OC1C2CC3CC(C2)CC1C3 254286899 RIYQMLRYPQPXAZ-UHFFFAOYSA-N 308.418 3.780 0 40 DHAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCCCO1 522058177 AQRQDBANLBZGMT-UHFFFAOYSA-N 304.268 3.535 0 40 DHAB Cc1nc(CC2CC2)oc1C(=O)N1CCC[C@H](c2ccccc2)C1 562121126 WCZFZOWKAGJFEQ-KRWDZBQOSA-N 324.424 3.955 0 40 DHAB O=C(NCCc1ccccc1)NCc1ccc(-c2ccco2)o1 575609484 CINZFURMXZUBGQ-UHFFFAOYSA-N 310.353 3.582 0 40 DHAB O=C(CCc1ccccc1)N1CCc2sc(Cl)cc2C1 575617072 XJPMEDQLJWFUGD-UHFFFAOYSA-N 305.830 3.919 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@H](c2cc(Cl)nc(Cl)n2)C1 584646751 ZJRCCMCHCTVHMU-QMMMGPOBSA-N 318.204 3.508 0 40 DHAB CNc1nc(Cl)nc2c1C(C)(C)CN2c1ccc(F)c(F)c1 1772715187 SKQJEOPEUSVOJN-UHFFFAOYSA-N 324.762 3.879 0 40 DHAB CC(C)N1CCC[C@]2(CC1)CN(c1ccc(Cl)cc1)C(=O)O2 2037838347 FIOGXSKQHAEVKT-KRWDZBQOSA-N 322.836 3.930 0 40 DHAB CCOC(=O)c1cccc(NC(=O)c2ccccc2OCC)c1 45214 FSHZDJRHWZLVNV-UHFFFAOYSA-N 313.353 3.514 0 40 DHAB Cc1ccc(C(=O)c2ccn(C(=O)c3ccc(F)cc3)n2)c(C)c1 45767 XNRMQSNQFCESPA-UHFFFAOYSA-N 322.339 3.559 0 40 DHAB COC(=O)c1cccc(CSc2cnc3ccccc3n2)c1 74871 AVAVCQXFKVTFIF-UHFFFAOYSA-N 310.378 3.709 0 40 DHAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 134712 YOWLLKINFCZQCY-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB CC(C)(C)c1csc(SCC(=O)Nc2nccs2)n1 1018844 OMYYZRSYBAICBM-UHFFFAOYSA-N 313.473 3.628 0 40 DHAB CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cn2)nc1C 1035797 AWWOISQGZUJOIW-UHFFFAOYSA-N 316.304 3.709 0 40 DHAB COc1ccccc1-c1cc(=O)c2cc(C)c(C)c(C(=O)O)c2o1 1620497 CZQABNQCXSYFIY-UHFFFAOYSA-N 324.332 3.784 0 40 DHAB COc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1OC 2390519 JCIFLHBRVKCNCP-CYBMUJFWSA-N 301.386 3.563 0 40 DHAB COc1ccc(CCNC(=O)c2cc3c(s2)CCCC3)cc1 2633635 LBRYLFGUJRJHCY-UHFFFAOYSA-N 315.438 3.608 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCC2 3364408 VRQQTVKKQOGPHI-UHFFFAOYSA-N 307.393 3.682 0 40 DHAB O=C(O)[C@H]1CCCCN1Cc1cccc(Oc2ccccc2)c1 3754722 IOZBPNFDNIPHEU-GOSISDBHSA-N 311.381 3.918 0 40 DHAB c1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)N2)cc1 3957464 DKUZMXLSCVOALE-UHFFFAOYSA-N 314.392 3.837 0 40 DHAB CC(=O)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 4273263 VZIGMPLMXGRVKB-UHFFFAOYSA-N 317.801 3.898 0 40 DHAB CCCN1C(=O)c2[nH]nc(C)c2[C@@H]1c1ccc(Cl)cc1Cl 4909667 GXQUQRSZLYEQMX-AWEZNQCLSA-N 324.211 3.980 0 40 DHAB CCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 5250092 XVUJHEMGRHNDFC-NSHDSACASA-N 309.624 3.629 0 40 DHAB COc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 5842030 POPPIYRCTPDUQO-UHFFFAOYSA-N 312.369 3.542 0 40 DHAB Cc1noc(C)c1COC(=O)c1csc2c1CC[C@H](C)C2 6084141 FYRHQWZSRFCTLE-VIFPVBQESA-N 305.399 3.835 0 40 DHAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(NC)s2)cc1 7102398 OEPPHTOBHHYFTQ-SECBINFHSA-N 307.444 3.506 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)NCCSCc1cccs1 7271516 QZCAYUZXOGXYNA-VMPITWQZSA-N 321.442 3.950 0 40 DHAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCCCC1 7377708 GEIPXENWOGLMGB-NSHDSACASA-N 300.324 3.518 0 40 DHAB CCc1cccc(NC(=O)Cn2c(CC)nc3ccccc32)c1 8135912 SCOZSPNRKNTNHG-UHFFFAOYSA-N 307.397 3.800 0 40 DHAB c1csc(-c2n[nH]c(SCc3ccc4c(c3)OCO4)n2)c1 8705634 IKOAKTHWCGBKEM-UHFFFAOYSA-N 317.395 3.554 0 40 DHAB O=c1cc(CSc2ccc3ccccc3n2)nc2ccccn12 9117417 JALBJXPDDQZEBW-UHFFFAOYSA-N 319.389 3.535 0 40 DHAB COc1ccccc1CSc1nc(N)c2ccsc2n1 9743754 VPZHREJZAQSVPM-UHFFFAOYSA-N 303.412 3.574 0 40 DHAB CCC(CC)NC(=O)NCc1ccc2cc(OC)ccc2c1 10465605 ZYKCUGASBQQTRF-UHFFFAOYSA-N 300.402 3.836 0 40 DHAB C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccn1 12516184 OJZKIFOGHPTZEM-JTQLQIEISA-N 309.196 3.808 0 40 DHAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1O 12754010 IJSZBSXEMKGKOA-UHFFFAOYSA-N 314.366 3.598 0 40 DHAB Cc1ccc2c(c1)c1ncnc(N3C[C@@H](C)C[C@@H](C)C3)c1n2C 12841489 KDEYWEUFWXMZLK-OKILXGFUSA-N 308.429 3.912 0 40 DHAB CCOc1ccccc1OCC(=O)Nc1cccc2cccnc12 12944775 JYFCGXSAYPXLHI-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB O=C(COc1ccc(Cl)cc1)N[C@H]1CCc2ccccc21 12996414 FFRAANBJAAGDJG-INIZCTEOSA-N 301.773 3.523 0 40 DHAB Cc1noc(C)c1Cc1ccc(C(=O)NC2CCCCCC2)o1 13961231 GJBIUTYNDIUOCK-UHFFFAOYSA-N 316.401 3.928 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]21 16138634 ZXDQTOXNJLYQAL-OXUXUCFPSA-N 313.784 3.598 0 40 DHAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 18140739 PXDFAZCIQQJFGA-QZTJIDSGSA-N 319.360 3.935 0 40 DHAB N#CN1CCN([C@H]2Cc3ccccc3Sc3ccccc32)CC1 19801884 QUPNPTYWRZZGPC-KRWDZBQOSA-N 321.449 3.534 0 40 DHAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccccc1 20045172 CWQYRUDHXITVEJ-KDOFPFPSSA-N 313.397 3.730 0 40 DHAB COc1ccccc1CN(C)C(=O)CSCc1ccccc1 20495127 PCZWMTZWLMFBIM-UHFFFAOYSA-N 315.438 3.587 0 40 DHAB Cc1cccc(OCCC(=O)NCCc2ccc(F)cc2)c1C 24548808 QPQSAWAJLCPRRI-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB CC(=O)Nc1nc(CN[C@H](c2ccccc2)C(C)C)cs1 29197578 KARVBFRXXMLZNH-HNNXBMFYSA-N 303.431 3.588 0 40 DHAB O=C(Cc1ccc2c(c1)CCC2)Nc1cnc2ccccc2c1 32900706 JGOBCLUCYUUWDG-UHFFFAOYSA-N 302.377 3.905 0 40 DHAB C[C@H](NC(=O)c1ccc2cn[nH]c2c1)c1cc2ccccc2o1 32900998 QTOJTTHCJAFZJC-NSHDSACASA-N 305.337 3.800 0 40 DHAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCCC3)s2)cc1 36107977 PSVKQENNDICVCO-UHFFFAOYSA-N 316.426 3.575 0 40 DHAB O=C(OCc1ccccc1)N1CCC[C@@H](NCc2ccccc2)C1 39952198 YEJYYIHYDOLTNI-LJQANCHMSA-N 324.424 3.577 0 40 DHAB COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 40154893 PPNZPNPPRAQQMM-UHFFFAOYSA-N 312.300 3.693 0 40 DHAB CC[C@H](C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 40525122 LOEKEJXTRXVMBM-GJZGRUSLSA-N 312.413 3.884 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1 48393655 UUFWSOIDURMGQZ-UHFFFAOYSA-N 323.396 3.625 0 40 DHAB Cc1ccc(-n2cnnc2SCCc2ccncc2)c(C)c1 58013086 NREHITQGGQOVFF-UHFFFAOYSA-N 310.426 3.614 0 40 DHAB OC1CCC(NCc2ccc(OCc3ccccc3)cc2)CC1 60815501 VWEHMUWQMINCHL-UHFFFAOYSA-N 311.425 3.659 0 40 DHAB O=C(c1cscn1)N1CCC[C@H]1c1nc2ccccc2s1 63452457 JHVIAWGWGYMFSP-LBPRGKRZSA-N 315.423 3.730 0 40 DHAB CC(C)c1nc2ccc(NC(=O)NC3CCOCC3)cc2s1 66980132 PAHDQDLUOQMRPX-UHFFFAOYSA-N 319.430 3.720 0 40 DHAB NC(=O)c1cccc(CSc2nc3ccccc3s2)c1 69489956 XHXDODMKDAGFJY-UHFFFAOYSA-N 300.408 3.688 0 40 DHAB CSc1ccccc1NC(=O)N1CCc2ccc(O)cc2C1 69737100 KAWBLISGTRFCFU-UHFFFAOYSA-N 314.410 3.704 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 69808457 OJAMGIXCABRHQG-OAHLLOKOSA-N 315.461 3.686 0 40 DHAB Cc1ccc2cnn(CCCNC(=O)Nc3ccccc3)c2c1 71196040 XNCFHCUWRIPFIO-UHFFFAOYSA-N 308.385 3.557 0 40 DHAB COc1cccc(CN[C@@H]2CCc3c(F)cccc32)c1OC 71837169 PQXZVHATEBQLKN-MRXNPFEDSA-N 301.361 3.620 0 40 DHAB CO[C@]1(C)C[C@@H](N(C)Cc2nc3ccccc3s2)C1(C)C 72305310 HSTRWGMSSPVTFH-RHSMWYFYSA-N 304.459 3.932 0 40 DHAB CCN(CC)C(=S)SCc1ccc(-n2cccn2)cc1 72862496 KZVNMMLTFJPTKQ-UHFFFAOYSA-N 305.472 3.732 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2o1 73957008 BASFBEPONMHDEI-UHFFFAOYSA-N 321.258 3.802 0 40 DHAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1Cl 74946819 WXOHPSGGEDEXTJ-UHFFFAOYSA-N 301.773 3.547 0 40 DHAB CCN(C(=O)c1ccc(C)[nH]c1=O)[C@H](C)c1cc2ccccc2o1 75122704 LWWIRAADUMLFHU-CYBMUJFWSA-N 324.380 3.653 0 40 DHAB CC(C)Nc1cccc(CNC(=O)/C=C/c2cccs2)c1 79073873 JFFQRIMDSVHZLN-CMDGGOBGSA-N 300.427 3.898 0 40 DHAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)cc1 85397226 DMNXLAZALYZKHC-FMIVXFBMSA-N 300.329 3.981 0 40 DHAB Cc1noc(C)c1[C@@H](C)CNc1ccc(Br)cn1 89526284 JQPMTBUCKFAWFT-QMMMGPOBSA-N 310.195 3.665 0 40 DHAB CCN(CC)c1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1 95097111 ZPGBMZOZIZIQOH-UHFFFAOYSA-N 318.442 3.900 0 40 DHAB COc1ccc([C@H](C)NCc2cccc(OC)c2OC)c(F)c1 95420542 HRWQEZSXOZQJOA-LBPRGKRZSA-N 319.376 3.702 0 40 DHAB CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1cccc(F)c1 95946201 LSDPRLRNTMEJME-KRWDZBQOSA-N 300.308 3.662 0 40 DHAB COC(=O)C[C@H](c1c(O)ccc2nsnc12)C1CCCCC1 96232671 XLLYXADOEGZOJF-NSHDSACASA-N 320.414 3.624 0 40 DHAB COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1C)OC 96385308 VFWMQTLAFXTQDR-QGZVFWFLSA-N 314.385 3.513 0 40 DHAB Cc1coc(-c2cc(NC(=O)Cc3ccccc3O)ccc2C)n1 96476237 AHOIWJGRLWJEOC-UHFFFAOYSA-N 322.364 3.845 0 40 DHAB Cc1cc(C)nc(NC(=O)NC(C)(C)c2nc(C)cs2)c1 97142957 SSCRFCMRPSXLKY-UHFFFAOYSA-N 304.419 3.520 0 40 DHAB C[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 97234410 GCWAVGBKHZGBPO-JSGCOSHPSA-N 318.446 3.512 0 40 DHAB Cn1/c(=N/C(=O)c2cccc(Cl)c2)sc2ccccc21 100811267 NPQSTWUNZJJIBA-ICFOKQHNSA-N 302.786 3.634 0 40 DHAB OCCOc1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 129486398 XCRHKACKZSNBDG-AAEUAGOBSA-N 303.324 3.591 0 40 DHAB OCc1cc(F)c(Oc2ccnc(C(F)(F)F)c2)c(F)c1 218287948 DUXJDKCZMCVGOI-UHFFFAOYSA-N 305.202 3.663 0 40 DHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222556453 VHXRIUUWGGOJDX-XKQJLSEDSA-N 309.438 3.979 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)Cc2cccc(Cl)c2)c1 224109185 TUURSVQGZDRULO-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224670779 PKVUYKONVKKCND-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB COC(=O)c1cccc(NC(=O)c2cc(C)c(C)cc2C)c1C 225643646 BCIVDCJPGCNXEN-UHFFFAOYSA-N 311.381 3.959 0 40 DHAB C[C@@H]1Cc2cc(Cl)cc(C(=O)NCc3ccccc3)c2O1 252503725 VGHKGUUHERPMBP-LLVKDONJSA-N 301.773 3.593 0 40 DHAB Cc1nccc([C@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 257202743 ANFKGANZZYXKSZ-GOSISDBHSA-N 319.412 3.512 0 40 DHAB COCC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cccn2C1 585095447 QXFRXHOKQQAYOO-MRXNPFEDSA-N 323.440 3.638 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1 1103577 CJOBXEJUMWKOMV-LLVKDONJSA-N 305.761 3.755 0 40 DHAB CCCCCC(=O)Nc1ccc(I)cc1 3160622 IHNZTLYRKLGDMI-UHFFFAOYSA-N 317.170 3.810 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)NCc1ccc(Cl)cc1 3324226 VXLLWESRMNXODE-UHFFFAOYSA-N 315.800 3.524 0 40 DHAB C[C@H](NC1CC1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 3427109 VNWVKPZBFUQNQR-LURJTMIESA-N 307.608 3.726 0 40 DHAB Cc1cc(C)nc(SCCC(=O)Nc2ccccc2Cl)n1 4475508 OPEVOZBFWITEOK-UHFFFAOYSA-N 321.833 3.868 0 40 DHAB COc1ccc(N2C(=O)C(F)(F)[C@H]2c2cccc(F)c2)cc1 5577986 HAHPKKVPRVOYGH-CQSZACIVSA-N 307.271 3.558 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1Br 6037125 JZRWXNBIQCMXSU-MRVPVSSYSA-N 309.159 3.799 0 40 DHAB CC(=O)c1cccc(NC(=O)CCOc2cc(C)ccc2C)c1 6377036 YRMSXLXTTPHLOM-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(C)cc1 7945631 IQISYRDJPLKSRP-UHFFFAOYSA-N 310.441 3.767 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1cccc(Cl)c1Cl 8556028 UDPHJUGSHWHPOP-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB CCC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9063429 IWCKVEPKTVMVPM-CQSZACIVSA-N 322.880 3.857 0 40 DHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCc2sccc2C1 10341470 MWNOXHTXXOYWSB-NSHDSACASA-N 320.845 3.787 0 40 DHAB c1ccc(-c2nn(-c3ccccc3)cc2Cn2ccnc2)cc1 10809849 NNUIEEDVJFTBCC-UHFFFAOYSA-N 300.365 3.784 0 40 DHAB O=C(CSCc1nc2ccccc2s1)NC1CCCCC1 11101976 BOZPOTSQZSVPQO-UHFFFAOYSA-N 320.483 3.978 0 40 DHAB C=COc1ccc(NCc2cc3ccc(C)cc3[nH]c2=O)cc1 12144305 ZQXRHSSRQMASTR-UHFFFAOYSA-N 306.365 3.971 0 40 DHAB COc1ccc(-c2cc([C@@H]3CCCCCN3)no2)cc1OC 12185179 AFLZUZCWHDNRIU-ZDUSSCGKSA-N 302.374 3.564 0 40 DHAB CCc1ccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 12531870 SWWDCDWUGUOIOG-GOSISDBHSA-N 319.408 3.502 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccs1 12571347 IABIYTOOSMENMY-RDBSUJKOSA-N 324.442 3.909 0 40 DHAB CC[C@H](C)NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 12601409 JJFVWDFJIVYGNS-ZDUSSCGKSA-N 307.397 3.862 0 40 DHAB Cc1cc(CS[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)no1 12847176 ZJUOTNMBVKMVLT-LBPRGKRZSA-N 316.426 3.732 0 40 DHAB Cc1nc2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc2o1 12904403 OIEZSTJPPPDPHP-XVNBXDOJSA-N 322.320 3.517 0 40 DHAB COC(=O)[C@H](C)c1cccc([C@@H](c2ccccc2)n2ccnc2)c1 13898178 YRSBGQIQVSGCJT-DNVCBOLYSA-N 320.392 3.797 0 40 DHAB in-man COc1ccc(-c2nc(-c3ccccc3)c(C)n2O)c(OC)c1 16264967 XDXRJFQBDCSPIQ-UHFFFAOYSA-N 310.353 3.780 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2ccccc2)c(C)c1 18166460 IRTIJZMOQRNVNK-UHFFFAOYSA-N 300.427 3.669 0 40 DHAB CCOc1cc2c(cc1OC)[C@@H](c1ccc(F)c(F)c1)NCC2 20506894 UDCZEDUWHLWAPI-GOSISDBHSA-N 319.351 3.607 0 40 DHAB biogenic COc1ccc(-c2nnc([C@@H](C)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1 25507890 QCBYCAKLDSMCBZ-HZSPNIEDSA-N 315.417 3.784 0 40 DHAB CC1CCN([C@@H](CNC(=O)C2CCCC2)c2cccs2)CC1 27573597 SKXAWUPZHRAEFD-INIZCTEOSA-N 320.502 3.828 0 40 DHAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccncc2)c1C 28226464 WDYONRJHVHTORR-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccn(C2CCCC2)n1 28576629 ROCSDKXNYPDFDM-QGZVFWFLSA-N 309.413 3.806 0 40 DHAB Cc1ccc(-c2cc(C(F)F)nc(N3CCOCC3)n2)cc1C 36613793 DJKQDFIQMAQCDD-UHFFFAOYSA-N 319.355 3.535 0 40 DHAB CC(=O)Nc1ccc2nc(NC(=O)C[C@H]3C=CCC3)sc2c1 40040476 BDIYVMVBIYELSV-NSHDSACASA-N 315.398 3.550 0 40 DHAB O=C(Cc1cccc2cccnc12)N(Cc1ccccc1)C1CC1 43506942 VITRKINJLQAMHR-UHFFFAOYSA-N 316.404 3.969 0 40 DHAB CCCCN(C)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C 48256150 JISFUTDJIWBKKF-UHFFFAOYSA-N 305.422 3.853 0 40 DHAB CN(CC1CC1)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 55520267 QHRXIKYRNGEJJD-CMDGGOBGSA-N 300.789 3.770 0 40 DHAB COc1ccc(N(C)C(=O)C2(c3cc(C)cc(C)c3)CCC2)cn1 58269902 DQEARIQJQJDQCZ-UHFFFAOYSA-N 324.424 3.792 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1nccc2ccccc12 58378235 KPLKDZDDBAEJKN-RHSMWYFYSA-N 312.413 3.560 0 40 DHAB CCSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 58635246 GMYCOVSIUDMBBW-BETUJISGSA-N 320.462 3.514 0 40 DHAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccc(F)cc1 65237215 VZWBCJJVUDLYCA-INIZCTEOSA-N 322.424 3.705 0 40 DHAB COC(=O)CN1CCc2sc(-c3ccccc3Cl)cc2C1 65731336 UBPQCUWNIJJPNX-UHFFFAOYSA-N 321.829 3.600 0 40 DHAB C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[C@@H](C)N1Cc1ccccc1 68593054 IBDBUXNMQVARBX-VYDXJSESSA-N 318.461 3.953 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1 71902848 KDFHCNZHOAJJDT-XJKSGUPXSA-N 318.417 3.569 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCCC2)nc1 72215920 YTIZJQAJWYOMSL-HNNXBMFYSA-N 317.433 3.754 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccoc2)cc1 72221634 NEYXNUSRQILDTQ-MRXNPFEDSA-N 305.399 3.504 0 40 DHAB CC[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1noc(C)n1 72309283 SBCIUINRTGFGKU-SNVBAGLBSA-N 314.172 3.566 0 40 DHAB Cc1cc(COc2ccc(N(C)C(N)=O)cc2)c2ccccc2n1 76062555 PDVKITLLUXCNHV-UHFFFAOYSA-N 321.380 3.637 0 40 DHAB CCC(=O)N1CC[C@H](NCc2csc3ccccc23)[C@H](C)C1 78897258 HAHCEVPNUPPUID-CJNGLKHVSA-N 316.470 3.638 0 40 DHAB CC(C)CC1(C(=O)Oc2ccc(N3CCCC3=O)cc2)CCC1 79093083 VSAZSCKPFUREMB-UHFFFAOYSA-N 315.413 3.935 0 40 DHAB C[C@@H]1C[C@@H](NC(=O)C=C(C2CC2)C2CC2)CN1c1ccccc1 81192932 ULZFZGXERKRIAG-RHSMWYFYSA-N 310.441 3.516 0 40 DHAB COc1cccc([C@@H](C)Sc2nncn2Cc2ccco2)c1 83595905 IFCJMKYUQRIQDE-GFCCVEGCSA-N 315.398 3.781 0 40 DHAB CC(=O)Nc1ccc(C)cc1NCc1ncc(C(C)(C)C)o1 84146119 RSIQNPWKYCRMBP-UHFFFAOYSA-N 301.390 3.851 0 40 DHAB Cc1nc(N(C)CCC(F)(F)F)c2c3c(sc2n1)CCC3 84271678 IZPGQTUTLPWBAP-UHFFFAOYSA-N 315.364 3.877 0 40 DHAB CCn1cc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cn1 84568592 MAWHAGVXQUCYGL-UHFFFAOYSA-N 317.355 3.630 0 40 DHAB CC(C)(C)OC(=O)Nc1c(Br)ccc2c1OCO2 85210725 JMDLHOQJZIIQMX-UHFFFAOYSA-N 316.151 3.525 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2NCC1(SC)CCOCC1 90112541 MVAKIXVAFLCEBV-KRWDZBQOSA-N 321.486 3.574 0 40 DHAB CC[C@H](NC(=O)c1ccc2nccn2c1)c1ccc(C)cc1C 91914688 FHRFYQGAZWPEJE-KRWDZBQOSA-N 307.397 3.832 0 40 DHAB C[C@H]1CCN(C(=O)CCCSC(C)(C)C)C[C@H]1n1ccnc1 95436205 CKIQXHIHUYRKBJ-LSDHHAIUSA-N 323.506 3.605 0 40 DHAB CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1 95447214 ULVNSUXJPIOVAR-CHWSQXEVSA-N 323.387 3.515 0 40 DHAB O=C(c1ccc2cc[nH]c2c1)N(C[C@H](O)c1ccccc1)C1CC1 96483116 WFYJEGFJLKOAQA-IBGZPJMESA-N 320.392 3.506 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 96685787 STGVEHPUFOEULU-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB c1ccc(CCCc2nnc(SC3CCOCC3)o2)cc1 97095822 HBINGKCHNNYXPY-UHFFFAOYSA-N 304.415 3.516 0 40 DHAB C[C@]12C[C@@H](NC(=S)N1c1ccccc1F)c1ccccc1O2 101183280 OOXGMAHIANFIIA-DYVFJYSZSA-N 314.385 3.760 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F 113942651 KUWONYYKLGQTKG-INIZCTEOSA-N 321.323 3.770 0 40 DHAB COc1ccc(C(=O)NC(C)C)cc1COc1cccc(C)c1 224106385 OVQGLULKOXPFPB-UHFFFAOYSA-N 313.397 3.721 0 40 DHAB COc1ccc(C(=O)NC2CC2)cc1CSc1ccccc1 224321392 IAKQVWOVIJLOKK-UHFFFAOYSA-N 313.422 3.880 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)NCCSC1CCCC1 224386239 WRKAFFWLMYZKJH-AWEZNQCLSA-N 307.459 3.554 0 40 DHAB Cc1ccc(CCC(=O)NCCSCc2ccco2)cc1C 224889570 OUWZMNVNYCKMSJ-UHFFFAOYSA-N 317.454 3.879 0 40 DHAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c(C)n1 225900259 ZBSBKBCTQSHWHH-ACJLOTCBSA-N 320.433 3.713 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](C(=O)O)[C@H]2C[C@@H](O)c1ccccc1 245239052 DYCAJMGMLIVAOG-NAHJCDBISA-N 302.414 3.883 0 40 DHAB CC[C@@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1 252509893 YXPUPCSYOJCSCG-LJQANCHMSA-N 324.424 3.645 0 40 DHAB Cc1c(NC(=O)CCc2ccc(O)nc2)sc2c1CCCC2 279256360 VAPIWGARZAIVOH-UHFFFAOYSA-N 316.426 3.607 0 40 DHAB c1ccc2c(c1)CCC[C@@H]2Nc1ncnc2c1ncn2C1CC1 292474985 QGIOBBMZGMUOIF-HNNXBMFYSA-N 305.385 3.651 0 40 DHAB CC(C)(C)c1ncc(CNc2ccc3ccnc(O)c3c2)cn1 585088459 KLABVFFFRPPOFB-UHFFFAOYSA-N 308.385 3.640 0 40 DHAB FCc1cc2cc(I)ccc2nc1Cl 685937203 MYFMXGORFFHUND-UHFFFAOYSA-N 321.520 3.962 0 40 DHAB COc1cc(SC)ccc1C(=O)Nc1nnc(C(C)C)s1 199447 JDXSNHQGWYSYJM-UHFFFAOYSA-N 323.443 3.644 0 40 DHAB CC(=O)Nc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2 537361 YAOCABNJBYKYBG-UHFFFAOYSA-N 302.761 3.655 0 40 DHAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2)c(OC)c1 561725 HCXYPQVXDNGXDZ-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB FC(F)(F)c1nc2ccccc2n2c(-c3ccccc3)nnc12 1382009 OSWFJXGNEVQSJB-UHFFFAOYSA-N 314.270 3.963 0 40 DHAB CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1669806 JEDORWVTOMYTCU-UHFFFAOYSA-N 303.427 3.596 0 40 DHAB CC(C)OC(=O)[C@](C)(OC(=O)c1ccccc1)c1ccccc1 1705735 OWPDCLPDGJBQMA-LJQANCHMSA-N 312.365 3.710 0 40 DHAB CCCCNc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2 3191727 SRZBDOZCAGLBCN-UHFFFAOYSA-N 318.376 3.952 0 40 DHAB O=C(COC(=O)c1ccccc1F)Nc1ccc2ccccc2c1 3394530 VKQBDEYQLVENFZ-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)OCO2 3597836 YOAMMODMSCSOOJ-UHFFFAOYSA-N 321.332 3.829 0 40 DHAB CCOc1ccc(-c2noc(-c3cccs3)n2)cc1OC 4433621 KDARCSDRYJAFQY-UHFFFAOYSA-N 302.355 3.872 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccncc1 4562362 SJOWLSDQLKKTAM-UHFFFAOYSA-N 304.777 3.841 0 40 DHAB CC(=O)N1CCCc2cc(NC(=O)c3ccc(C)cc3)ccc21 5373709 SHXINTSYWJGSKF-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB Cc1ccc(OCc2nnc(S)n2-c2ccc(C)cc2)cc1 5687766 XGLMXRRHIBTVJA-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB Cc1cc(Cl)cc(C)c1Oc1nnnn1-c1ccccc1 5938022 XNWKSGQCPXBBJW-UHFFFAOYSA-N 300.749 3.725 0 40 DHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1F 6260738 OLALERBDKMTVMC-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB CSc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 6416179 QKCZRGXNBLDCJT-UHFFFAOYSA-N 307.440 3.826 0 40 DHAB CCC[C@@H](C)NC(=O)COC(=O)c1sc2ccccc2c1C 7567914 WJHKWLKDNKFGJC-LLVKDONJSA-N 319.426 3.671 0 40 DHAB O=C(O)Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 13439631 XDDPASRIXQTURT-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 14219024 HJYIDNRYIMJNQP-AWEZNQCLSA-N 303.427 3.597 0 40 DHAB O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1nncs1 14240352 YIHRWEQHRQGFEL-VQHVLOKHSA-N 313.407 3.919 0 40 DHAB Cc1cccc(C)c1NS(=O)(=O)Cc1ccc(Cl)cc1 14291436 POWAYOQMSJZAKS-UHFFFAOYSA-N 309.818 3.899 0 40 DHAB C[C@H](N[C@H]1CCCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 16046927 VUXXXWLASZHJPN-GUYCJALGSA-N 319.408 3.651 0 40 DHAB CCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cnn(C)c1 20677052 TWFTXQJGCDWYJI-RMKNXTFCSA-N 317.820 3.850 0 40 DHAB CC(C)COc1cccc([C@@H]2SCC(O)=Nc3n[nH]cc32)c1 20736045 LMQRIIVYQFIIOD-HNNXBMFYSA-N 317.414 3.869 0 40 DHAB CC(C)[C@H](NC(=O)c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 23769142 JYOJFPOGGADSIH-KRWDZBQOSA-N 313.445 3.845 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2)on1 25470334 XEHBGPVNYJMHQV-CYBMUJFWSA-N 304.349 3.933 0 40 DHAB CC(=O)Nc1cccc(-n2c(SC(C)C)nnc2C2CC2)c1 26139920 GMZXFVAIAORRSZ-UHFFFAOYSA-N 316.430 3.604 0 40 DHAB COc1cccc2c1N(C(=O)c1ccccc1Cl)CCC2 30576632 XOBUSRYEAOZQLB-UHFFFAOYSA-N 301.773 3.942 0 40 DHAB O=C(CC1CCCCC1)Nc1ccc(F)c(N2CCCC2=O)c1 32709410 ULCUEUSONLHREE-UHFFFAOYSA-N 318.392 3.861 0 40 DHAB CSc1ccc(C(=O)CCC(=O)Nc2ncccc2C)cc1 32843888 WKBFCQUCDJRQMD-UHFFFAOYSA-N 314.410 3.714 0 40 DHAB CN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCc2ccccc21 32905281 XRKBYNBXNDVPRB-IBGZPJMESA-N 304.393 3.856 0 40 DHAB CC(C)c1nnc(C2CCN(C(=O)Nc3cccs3)CC2)o1 38670508 LLKPPXJQMXATDC-UHFFFAOYSA-N 320.418 3.666 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cn1 40555765 SSJBEVXMBZHUNK-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(Br)c2)cc1F 42353586 QINOKAZXIHIOLN-UHFFFAOYSA-N 322.177 3.827 0 40 DHAB COc1cc(C)c(N[C@@H](C)c2nc(C(C)C)no2)cc1OC 44585541 PPASAXBFTSZFBR-NSHDSACASA-N 305.378 3.692 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(OC)c1 44900203 MURTXGRGXUKGBG-INIZCTEOSA-N 303.333 3.630 0 40 DHAB C[C@@H](SCc1ccccc1F)C(=O)NCc1ccccc1 45089755 JLAHIOMIJRLKHG-CYBMUJFWSA-N 303.402 3.764 0 40 DHAB CSc1ccccc1C(=O)N(Cc1cccn1C)C1CC1 62018250 NBOHJSOYQLUXET-UHFFFAOYSA-N 300.427 3.552 0 40 DHAB CC(C)(C)c1n[nH]cc1CNCc1coc(-c2cccs2)n1 64411901 KKHWUUMRBLXWEX-UHFFFAOYSA-N 316.430 3.714 0 40 DHAB Cc1noc([C@@H](C)NC(=O)Nc2ccccc2C(C)(C)C)n1 69771406 IDYKFCBHPMSIBR-SNVBAGLBSA-N 302.378 3.558 0 40 DHAB O=C(O)c1cc(Br)ccc1COC1CCCCC1 72209152 LPXLZFOHVQAFCD-UHFFFAOYSA-N 313.191 3.997 0 40 DHAB CN(Cc1ccccc1)c1ccc([C@@H](O)c2ccccc2)cn1 72225372 JMRRVPUTQIKHLX-FQEVSTJZSA-N 304.393 3.800 0 40 DHAB CC[C@@H](NC(=O)NC1(C)CCC(C)CC1)c1c(C)nn(C)c1C 74098799 CBYQUYAWMKDVQL-HBSPSFQMSA-N 320.481 3.756 0 40 DHAB O=C(CC[C@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1 76919899 ZWTSNXUATRKWRM-CQSZACIVSA-N 307.365 3.512 0 40 DHAB Cc1ccc2oc(NCCn3c(C)nc4ccccc43)nc2c1 78813347 FBXBZPPRCSMDHY-UHFFFAOYSA-N 306.369 3.906 0 40 DHAB Cc1ccc([C@@H]2CSCCN2C(=O)Cc2cccs2)o1 78934761 BAEAISCVOFYTAP-ZDUSSCGKSA-N 307.440 3.509 0 40 DHAB O=c1ccn(Cc2ncc(-c3cccs3)o2)c2ccsc12 78986900 HCRMREFECWJVKQ-UHFFFAOYSA-N 314.391 3.828 0 40 DHAB CCOC[C@H]1CCN(C(=O)Nc2nc([C@@H](C)CC)cs2)C1 81637638 SRIMHSOEBQIWAI-RYUDHWBXSA-N 311.451 3.547 0 40 DHAB CC(=O)Nc1ccc([S@](=O)CCc2ccccc2Cl)cc1 83077192 TYRMKSDQNXUEOO-NRFANRHFSA-N 321.829 3.649 0 40 DHAB COc1cc(OC)c(NC(=O)c2ccc3[nH]ccc3c2)cc1F 83919905 ZARWAXGGRVTBHS-UHFFFAOYSA-N 314.316 3.577 0 40 DHAB O=C(NCc1ccc2c(c1)CCC2)[C@H]1C[C@H]1c1cccc(F)c1 84372159 SIJMNEZUZFNHBQ-OALUTQOASA-N 309.384 3.734 0 40 DHAB CC(C)N(C(=O)c1ncncc1Cl)c1ccc(Cl)cc1 95427917 YJYATTPBZRHBMA-UHFFFAOYSA-N 310.184 3.839 0 40 DHAB CC1(C)CCN(S(=O)(=O)Cc2ccccc2)c2ccccc21 96184061 QHHBNDZMQOHDTR-UHFFFAOYSA-N 315.438 3.704 0 40 DHAB Cn1cncc1CCNC(=O)N(c1ccccc1)c1ccccc1 97163815 YZELKPIBJNUGSB-UHFFFAOYSA-N 320.396 3.511 0 40 DHAB Cc1ccccc1-c1ccnc2[nH]n(-c3ccccc3)c(=O)c12 100130339 ZAYIEGDTDUMGTK-UHFFFAOYSA-N 301.349 3.689 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)/N=c1/ccccn1Cc1ccccc1 107471628 SYSADAULMWEQND-GEAUWXAJSA-N 320.436 3.790 0 40 DHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 169684039 QVXFPTRAUYUMRH-LAQRGFTBSA-N 307.393 3.561 0 40 DHAB COc1ccc(F)c(C(=O)N[C@@H](C)c2cc(C)oc2C)c1OC 188327010 ILECFUYKZMLQGM-JTQLQIEISA-N 321.348 3.544 0 40 DHAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccc2ccccc2c1 224293511 AFXXJYLQSQHPBX-UHFFFAOYSA-N 320.396 3.565 0 40 DHAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)Oc1ccccc1 225093003 UOIMVAHAGAZMRW-AWEZNQCLSA-N 310.271 3.780 0 40 DHAB CCCCOc1c(C)cc(I)cc1C=O 225272237 OODLYTUAORHXQH-UHFFFAOYSA-N 318.154 3.591 0 40 DHAB CCOC(=O)c1cc(N)ccc1Nc1cc(C)ccc1OC 225481729 HLHYLFGCGWOUAR-UHFFFAOYSA-N 300.358 3.506 0 40 DHAB CCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OC)c(C)c1 225907440 ZTMVXUWFVQYEFO-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB Cc1cccc(CS(=O)(=O)NCc2c(C)cc(C)cc2C)c1 507962535 OJQIHLHDEMWGTD-UHFFFAOYSA-N 317.454 3.540 0 40 DHAB CC(C)c1ncncc1-c1nc(Cc2ccccc2Cl)no1 585133638 OJTSMQXYPMEWHK-UHFFFAOYSA-N 314.776 3.894 0 40 DHAB O=C(NC[C@]1(O)C=CCCC1)Nc1ccc(Cl)c(Cl)c1 618256922 NTUAEWQAWKWPQJ-AWEZNQCLSA-N 315.200 3.586 0 40 DHAB Cc1nc(Nc2ccc(F)cc2F)cc(C2CCOCC2)n1 1888875755 CQMSSFAZQBKEME-UHFFFAOYSA-N 305.328 3.701 0 40 DHAB C[C@@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)C[C@@H](C)O1 126536 XMYLUYJMMPSMNS-HUUCEWRRSA-N 319.408 3.910 0 40 DHAB O=C(COc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 140058 GFIFUGZGOFSDDN-UHFFFAOYSA-N 321.298 3.674 0 40 DHAB COC(=O)c1ccccc1C(=O)Nc1cccc(Cl)c1C 143930 PGLNTPKFFKRXOV-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB CN(C)c1nc(-c2ccc(Cl)cc2)nnc1-c1ccccc1 340475 LPWIZDFSCGVJFO-UHFFFAOYSA-N 310.788 3.925 0 40 DHAB Cc1cc(NC(=O)C(C)C)c(C)cc1I 568310 RDGJPWKWPKPWBV-UHFFFAOYSA-N 317.170 3.503 0 40 DHAB O=Cc1ccc(-c2ccc(I)cc2)cc1 1258323 CELHREPGCUBBJY-UHFFFAOYSA-N 308.118 3.771 0 40 DHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1 1353228 VCQHRLXZYLIETM-UHFFFAOYSA-N 317.776 3.582 0 40 DHAB CCCCOc1ccc(NC(=O)Nc2nnc(C)s2)cc1 1573541 WYTFJWMVVMVXHS-UHFFFAOYSA-N 306.391 3.669 0 40 DHAB CCCCN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C 2024854 MVJFUGXQQYWIDN-JWTNVVGKSA-N 300.446 3.554 0 40 DHAB Cc1ccc(-c2nnc(-c3cc4ccccc4oc3=O)o2)cc1 2472710 BYOVHLGRJGKKNQ-UHFFFAOYSA-N 304.305 3.818 0 40 DHAB COP(=O)(OC)[C@H](O)/C=C(\Cl)c1ccc(Cl)cc1 2556209 CNONALSSANSMRX-BRNRAETOSA-N 311.101 3.724 0 40 DHAB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)c1 2623577 IEHOMBGPNPHIBI-UHFFFAOYSA-N 314.366 3.921 0 40 DHAB CCC(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 3256710 FPSBJSXTAGEDNL-CQSZACIVSA-N 323.392 3.636 0 40 DHAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1F 3328493 VNGQUETUDDSKQU-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Cn1nc(Oc2ccc(C(F)(F)F)cn2)cc1C(F)(F)F 4052131 XXOCVKVWCDSPSB-UHFFFAOYSA-N 311.185 3.645 0 40 DHAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccs2)N3)C1 4543283 LKIYLPRCLFRHAG-ISVAXAHUSA-N 304.440 3.789 0 40 DHAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C(F)(F)F 4613344 XIYMCNULEZKEGC-UHFFFAOYSA-N 305.259 3.731 0 40 DHAB COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 5243396 UALXLLIDPIUZNW-LLVKDONJSA-N 318.756 3.941 0 40 DHAB COc1ccc(CNC(=O)Nc2cn(C)c3ccccc23)cc1 5265701 FNAUHVYFMNODSW-UHFFFAOYSA-N 309.369 3.509 0 40 DHAB C1CSCCSCCSCCSCCS1 5600190 JZVKYARMSUTTSV-UHFFFAOYSA-N 300.605 3.666 0 40 DHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1F 5630825 GOKZWZBYTWWTGO-UHFFFAOYSA-N 321.779 3.953 0 40 DHAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1 6767570 YEYVHJFKAAMGSV-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB Cc1ccccc1NC(=O)c1cc(=O)c2ccc(C)c(C)c2o1 6811338 HEXVAHMOWUXAEN-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)Cc1noc2ccccc12 6837422 JNMNNEBLNVEGQL-UHFFFAOYSA-N 308.381 3.808 0 40 DHAB O=C(CNc1cccc2ccccc12)N1CCc2ccccc21 6867355 ZJYKNYIYQVWVDR-UHFFFAOYSA-N 302.377 3.841 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)N2c3ccccc3C[C@H]2C)cc1 7238786 VSJVXQVKLHQJER-KGLIPLIRSA-N 322.408 3.667 0 40 DHAB Fc1ccc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)cc1 7424951 YHRHHWGNMRWOJG-UHFFFAOYSA-N 306.300 3.933 0 40 DHAB CCOc1ccc(Nc2nc3ccccc3c3nnc(C)n23)cc1 7500061 PAUAXOZEISOCKT-UHFFFAOYSA-N 319.368 3.728 0 40 DHAB O=C(CC1CCCC1)Nc1cc(Cl)ccc1N1CCOCC1 7814045 OIEBITMSSBZFLN-UHFFFAOYSA-N 322.836 3.695 0 40 DHAB COc1cc(C(=O)NCc2ccccc2)ccc1OCC(C)C 7986794 JOBFDGNLCISCAL-UHFFFAOYSA-N 313.397 3.660 0 40 DHAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC2)c1 8130488 ADKHYRKVDIOCDA-UHFFFAOYSA-N 317.392 3.694 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)NCc3ccncc3)ccc2c1 9368902 RXDVETYQBWUFJY-AWEZNQCLSA-N 320.392 3.663 0 40 DHAB Cc1cc(C)cc(-n2ncc3c(N4CCCCCC4)ncnc32)c1 9627496 OUBLMXXZIPVJTQ-UHFFFAOYSA-N 321.428 3.813 0 40 DHAB O=C(C[C@H]1C=CCC1)Nc1ccc(NC(=O)c2ccco2)cc1 11526265 SEBRCUUIGVXAKT-ZDUSSCGKSA-N 310.353 3.827 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1 12354579 MILLBOMBXCCZHF-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB C[C@@H](NC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1 12758042 LQMKZXWWGUSCMT-GFCCVEGCSA-N 304.340 3.568 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)n1cccn1 12850645 QVQCREPQTQYWTK-HNNXBMFYSA-N 305.381 3.674 0 40 DHAB O=S(=O)(Cc1ccc(F)cc1)NCCC1CCCCCC1 13672053 NZZIJIXMMRDCBK-UHFFFAOYSA-N 313.438 3.606 0 40 DHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(Cl)c1 14427415 CFCOWRAPZUEIFS-CQSZACIVSA-N 301.729 3.580 0 40 DHAB Oc1cccc2c1[C@H](O)CCC21Oc2cccc3cccc(c23)O1 14636384 VPWWOWTXVIXWBW-OAHLLOKOSA-N 320.344 3.997 0 40 DHAB biogenic,in-vitro C[C@H](CCc1ccccc1)NC(=O)c1cn(C)c2ccccc12 14796121 JVVIKLDPSQTSEB-OAHLLOKOSA-N 306.409 3.929 0 40 DHAB COc1ccc([C@H](C)NC(=O)CSc2ccc(C)cc2)cc1 20044694 BXAOOSRZMJAWPU-AWEZNQCLSA-N 315.438 3.973 0 40 DHAB CCN(CC)C(=O)c1ccc(CN2CCc3ccccc32)cc1 20490179 NZNQCVWAOPSQKL-UHFFFAOYSA-N 308.425 3.731 0 40 DHAB Cc1ccc(CCC(=O)N[C@H](C)c2cccnc2)cc1Cl 22693004 DXSZFTDCKHVLBT-CYBMUJFWSA-N 302.805 3.853 0 40 DHAB O=C(Cc1cccs1)N[C@@H](c1ccccc1)c1ccccn1 23996827 KYOJNXZZBUWKPW-SFHVURJKSA-N 308.406 3.591 0 40 DHAB CCn1nccc1CN(C)C(=O)c1ccc(-c2ccccc2)cc1 28219159 GFOPOTJKONOTTP-UHFFFAOYSA-N 319.408 3.842 0 40 DHAB CC[C@H](NC(=O)c1nn(CC)cc1Cl)c1ccc(C)cc1 28237689 FJFFNODTDZUECO-AWEZNQCLSA-N 305.809 3.746 0 40 DHAB COC(=O)N[C@H](Sc1ccc(C)cc1)C(=O)c1ccccc1 28467691 XQVIHQPEHLIEMY-MRXNPFEDSA-N 315.394 3.652 0 40 DHAB O=C(C[C@H]1C=CCC1)Nc1cccc(OCc2ccccn2)c1 31455084 WXALDWBQWKCZPT-HNNXBMFYSA-N 308.381 3.955 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)c1 31721943 CIJCLSCNPVRCJF-UHFFFAOYSA-N 314.410 3.894 0 40 DHAB CCOc1ccc2oc(C(=O)NCCc3ccccn3)c(C)c2c1 32657018 VEHCHHYIOVCLBQ-UHFFFAOYSA-N 324.380 3.507 0 40 DHAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)NCc1ccco1 35673280 WXHSQDIHPFXJLC-UHFFFAOYSA-N 316.744 3.826 0 40 DHAB O=C(Nc1ccon1)c1cc2occc2n1Cc1ccccc1 36358910 ZEHMIKLECRJFCT-UHFFFAOYSA-N 307.309 3.523 0 40 DHAB O=C(Nc1c(F)cccc1F)c1cc(-c2ccccc2)on1 41130714 OJTIEENJHORDHF-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB O=C(NCc1cccc(C(F)(F)F)c1)NC1CCCCC1 43465941 FGSQNMAUUFGIOT-UHFFFAOYSA-N 300.324 3.837 0 40 DHAB Cc1cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)no1 45954827 TUIKSODFGWMTAF-AWEZNQCLSA-N 300.362 3.527 0 40 DHAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)nc1 57523799 WICGILGKYZMRRI-UHFFFAOYSA-N 313.744 3.521 0 40 DHAB Cc1nnc([C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)o1 58357682 RZJDMPZQTKAEIJ-LLVKDONJSA-N 314.414 3.854 0 40 DHAB CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1ccncc1 69592151 JYBZXOYHDSGFCW-UHFFFAOYSA-N 317.820 3.855 0 40 DHAB COc1ccc(NC(=S)Nc2cccc(F)c2C)cc1OC 71325978 ZUHRMVXJSCNWKV-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(C)c2)cc1 72329103 ZUHWTDHUKNDXMJ-UHFFFAOYSA-N 305.381 3.624 0 40 DHAB COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)on1 83166338 OLNOOWNJWWOLPE-UHFFFAOYSA-N 309.321 3.707 0 40 DHAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1C[C@H]1c1ccccc1 84525438 PGXJSSPASSVMOC-LSDHHAIUSA-N 321.405 3.947 0 40 DHAB Cc1nccn1CCCCN[C@@H](C)c1nc2ccccc2s1 95423164 KQFMKISPPPKERI-ZDUSSCGKSA-N 314.458 3.932 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@H]2Nc3ccc(Cl)cc3[C@H]2C1 95635396 NUSSODRBWFEQDM-OCCSQVGLSA-N 308.809 3.859 0 40 DHAB COc1ccc(O)cc1[C@@H](C)N[C@H]1CCc2c(F)cccc21 96006905 RMWLNTJSFFBVFH-DIFFPNOSSA-N 301.361 3.878 0 40 DHAB CN(C)c1cccc([C@H]2CCCN2C(=O)CCc2ccco2)c1 96410200 KFQDTOYCNNXQIH-GOSISDBHSA-N 312.413 3.642 0 40 DHAB O=C(CC[C@H]1CCCO1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 96411063 HGTUXKZZRJNRHC-OCCSQVGLSA-N 319.298 3.505 0 40 DHAB CCCCN(C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 96416046 XSHBQGPCDPHKQR-UHFFFAOYSA-N 320.433 3.817 0 40 DHAB Cc1ccc([C@@](C)(O)CNC2CCC(C(F)(F)F)CC2)o1 97145915 PSLQNNOUGUEYAX-YIZWMMSDSA-N 305.340 3.506 0 40 DHAB CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C(=O)OC 100300386 QSTBODVXYSWBJW-WZRBSPASSA-N 321.442 3.780 0 40 DHAB CCc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1 101024751 CJYUEDSGXPBCIC-SFHVURJKSA-N 317.396 3.600 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 105700988 WWTOWJSXIYROPR-QFOLPQNPSA-N 313.228 3.943 0 40 DHAB COc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1C 224602874 RCXLZQUYIVBNAO-UHFFFAOYSA-N 301.361 3.505 0 40 DHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCCC1 225307539 MZNBWDYNGRILMV-UHFFFAOYSA-N 319.792 3.539 0 40 DHAB O=C(Cc1cccc(Br)c1)NCCC1=CCCCC1 225614305 MVMORSHASDVUEJ-UHFFFAOYSA-N 322.246 3.998 0 40 DHAB COc1ccc(CC(=O)NCCSC2CCCCC2)cc1C 225627202 DKBADMODTRGILF-UHFFFAOYSA-N 321.486 3.728 0 40 DHAB CC(=O)c1ccc(CCNC(=O)Nc2c(F)cccc2F)s1 225675319 NCAYGQIINDIFOU-UHFFFAOYSA-N 324.352 3.593 0 40 DHAB CCOC(=O)c1cc(N)c(OCc2ccccc2)cc1Cl 225732671 CBFHTMKHUVWJIN-UHFFFAOYSA-N 305.761 3.678 0 40 DHAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cn1 225899952 CFXVBFSXKUWWLO-KBXCAEBGSA-N 320.433 3.794 0 40 DHAB CCCCOc1cccc(C(=O)Nc2ccc(OC)cc2N)c1 226349363 UBGJHDXXDOQLQK-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB CN(C[C@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 248333337 JXMIXOSOCIMCNA-HGKSCXNLSA-N 323.521 3.843 0 40 DHAB CC1CCN(c2nnc(-c3ccccc3)n2Cc2ccco2)CC1 585080675 YQCPHOVIKSTGAU-UHFFFAOYSA-N 322.412 3.823 0 40 DHAB Cc1cnccc1O[C@@H]1CCN(c2ccc3ccccc3n2)C1 1889186936 NYNGYRBIOMDYPG-MRXNPFEDSA-N 305.381 3.596 0 40 DHAB COc1ccc(/C(=C/c2ccc(Cl)cc2)C(=O)O)cc1OC 73256 QSJJBKSZDQTKDZ-ZROIWOOFSA-N 318.756 3.982 0 40 DHAB Cc1ccc(S(=O)(=O)N(c2ccccc2)C(C)(C)C)cc1 345685 MZEZKYCHQDASBL-UHFFFAOYSA-N 303.427 3.989 0 40 DHAB Cc1ccc(C2=NC[C@H](O)Cn3c2c(C)c2cc(C)ccc23)cc1 487425 YYFUCYXTGMMDKT-KRWDZBQOSA-N 318.420 3.778 0 40 DHAB biogenic COC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 552123 SUGGFFIUTHZCOF-UHFFFAOYSA-N 301.125 3.952 0 40 DHAB CCC(CC)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 804741 BQPJAXHCEJWOHP-LLVKDONJSA-N 319.430 3.848 0 40 DHAB CCCCc1ccc(NC(=O)N[C@H](C(=O)OC)[C@H](C)CC)cc1 2427399 OLWQMVUFFXZNHI-CJNGLKHVSA-N 320.433 3.738 0 40 DHAB CCCOC(=O)N[C@H](CC)COC(=O)Nc1cccc(C)c1C 3150024 LUHNMBBHYUUTJF-CQSZACIVSA-N 322.405 3.767 0 40 DHAB aggregator CCCCN1C(=O)N(c2ccccc2C)[C@](C)(O)CC1(C)C 3152376 PFJJXWUHBSCDBQ-GOSISDBHSA-N 304.434 3.914 0 40 DHAB O=S(=O)(NCCC1=CCCCC1)C1=Cc2ccccc2CC1 5256812 LASBATISHGTXRD-UHFFFAOYSA-N 317.454 3.784 0 40 DHAB COc1ccc(CC(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 5529437 LYERCXIKQAAZPX-ZDUSSCGKSA-N 313.372 3.745 0 40 DHAB O=C(NC1CC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 6986974 YICSUMXFWMQJJQ-INIZCTEOSA-N 319.763 3.878 0 40 DHAB O=C(c1ccco1)N1CCC(c2nc3ccccc3s2)CC1 7007686 DWHCCDIZUJLWHO-UHFFFAOYSA-N 312.394 3.909 0 40 DHAB Cc1ccc2c(CC(=O)Nc3nc4c(s3)CCC4)coc2c1 8187544 HBLNJEXWCWXTAI-UHFFFAOYSA-N 312.394 3.868 0 40 DHAB COc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 8209179 XMZJQGRVINYRSM-UHFFFAOYSA-N 322.389 3.980 0 40 DHAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 8267456 SFYHWWMAXXXXOJ-CYBMUJFWSA-N 323.392 3.785 0 40 DHAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2cccs2)cc1 8320401 CWUDKBXWQQZFEA-HNNXBMFYSA-N 300.427 3.832 0 40 DHAB CCCC(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 9140829 ZNWLWCQDPZOHQO-UHFFFAOYSA-N 324.755 3.972 0 40 DHAB CCN(CC)[C@@H](CNC(=O)CC(C)C)c1ccccc1Cl 11917265 SCILFBXBIZNPMV-INIZCTEOSA-N 310.869 3.885 0 40 DHAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1 12900305 JCTRPGZLAFDBPX-LLVKDONJSA-N 321.323 3.770 0 40 DHAB Cc1cc([C@@H]2CCCCCN2C(=O)c2cc(C(C)C)on2)on1 19120137 PAFVBUYLBKHMII-AWEZNQCLSA-N 317.389 3.852 0 40 DHAB O=C(Nc1cc(=O)oc2ccccc12)c1cc2ccccc2o1 20725822 OMNALGMTUOKDCB-UHFFFAOYSA-N 305.289 3.792 0 40 DHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 21611995 GCTYIERVOXLZBG-OLZOCXBDSA-N 317.458 3.835 0 40 DHAB Cc1cc(-c2csc(-c3ccco3)n2)c(C)n1-c1ncn[nH]1 25204563 PYBQWVFVWARYHP-UHFFFAOYSA-N 311.370 3.596 0 40 DHAB O=C(/C=C/c1ccsc1)NCc1coc(-c2cccs2)n1 26065619 KHSCQZJCLJYTNL-ONEGZZNKSA-N 316.407 3.794 0 40 DHAB NC(=O)Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 27642799 ZLEJFHIHPADBMC-UHFFFAOYSA-N 318.789 3.745 0 40 DHAB CN(C(=O)/C=C/c1ccc2c(c1)CCO2)[C@H]1CCc2ccccc21 27825723 SIIGRHPPQAFEDH-SSVWKNEZSA-N 319.404 3.781 0 40 DHAB C[C@H](NC(=O)NCCCOc1ccccc1)c1cccs1 29732586 IDDBUGSDFPCHKG-ZDUSSCGKSA-N 304.415 3.577 0 40 DHAB COc1ccc2cc(C(=O)N[C@H](C)CCc3ccccc3)[nH]c2c1 32755478 XETGCWLCFHTIKF-CQSZACIVSA-N 322.408 3.928 0 40 DHAB Cc1nc(C)c(C(=O)Nc2nc3ccc(F)cc3s2)s1 32976318 FOXKWQHRQKITNO-UHFFFAOYSA-N 307.375 3.761 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)NCc1ccc(C)cc1)n2C 35558621 KPVFYEXNZMHGTF-UHFFFAOYSA-N 322.408 3.815 0 40 DHAB COCCCNc1nc(-c2cccs2)cc(C(F)(F)F)n1 36613561 QGGSYSYADOLJFX-UHFFFAOYSA-N 317.336 3.672 0 40 DHAB Cc1cc(C)cc(NC(=S)NC[C@H](C)N2CCCC[C@@H]2C)c1 36847518 SCSLOYNFQURBCX-HOTGVXAUSA-N 319.518 3.853 0 40 DHAB Cc1noc(C)c1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 40112877 HMSKLNMCTFAJQQ-LLVKDONJSA-N 302.374 3.570 0 40 DHAB Cc1ccc(NC(=O)c2cccc3c2OCO3)c2cccnc12 40150839 LPPTVRAYEHVYJK-UHFFFAOYSA-N 306.321 3.524 0 40 DHAB CN(c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 40556392 HRPHUGZAWMQGHA-UHFFFAOYSA-N 309.413 3.819 0 40 DHAB COC(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 41195319 NESIHQBMOIMJLO-UHFFFAOYSA-N 306.321 3.723 0 40 DHAB Clc1cc(Br)ccc1OCC[C@@H]1CCCNC1 42772252 CKAPMCKFVWBRDN-JTQLQIEISA-N 318.642 3.871 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccccc2C)on1 42800545 WCLYVXSVWVJVLI-HOCLYGCPSA-N 313.401 3.899 0 40 DHAB O=C(CCCOc1ccccc1)NCCSC1CCCC1 46450488 YYVPPEYNTCFMBI-UHFFFAOYSA-N 307.459 3.638 0 40 DHAB COc1cc(CNCc2ccc(C)c(C)c2)cc(OC)c1OC 48301165 RAEZFGZCGQINOC-UHFFFAOYSA-N 315.413 3.619 0 40 DHAB CC(C)[C@H](NCc1ccn(C)c(=O)c1)c1ccc(Cl)cc1 48374918 DJYSXOGOMLJHKB-KRWDZBQOSA-N 304.821 3.526 0 40 DHAB CCc1n[nH]c(SCc2ccccc2Oc2cccnc2)n1 50247785 VOTTUJBCLUOPET-UHFFFAOYSA-N 312.398 3.847 0 40 DHAB Clc1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)cc1 52075753 KZOHALIWGCZCFT-UHFFFAOYSA-N 303.793 3.765 0 40 DHAB CC(C)c1nc(COc2ccc3c(c2)CCC(=O)N3)cs1 58085390 DHQCBVQCERQUGI-UHFFFAOYSA-N 302.399 3.730 0 40 DHAB CCSCCC(=O)Nc1nc2cc(F)c(F)cc2s1 58779787 SDNPUXHUFGXSLV-UHFFFAOYSA-N 302.371 3.656 0 40 DHAB CCOc1ccc(Br)cc1/C=C/C(=O)OC(C)C 62714750 PGAKEWRJGBCHAW-VMPITWQZSA-N 313.191 3.813 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)C[C@H](C)CCc1ccccc1 63644637 JWLKDUVJNPTEBU-CQSZACIVSA-N 314.429 3.909 0 40 DHAB Cn1c([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21 71839190 NTZFUUZYECLART-PBHICJAKSA-N 309.413 3.593 0 40 DHAB Cc1csc([C@@H]2CCCN(C(=O)COC3CCCCC3)C2)n1 72298943 PVADWWVBGFPCHQ-CQSZACIVSA-N 322.474 3.507 0 40 DHAB C[C@H]1C[C@H](NC(=O)C=C(C2CC2)C2CC2)CN1c1ccccc1 81192929 ULZFZGXERKRIAG-YOEHRIQHSA-N 310.441 3.516 0 40 DHAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@@H]1c1ccc[nH]1 89827967 PRZKEXAFWQRIOW-XYJFISCASA-N 309.413 3.665 0 40 DHAB C[C@H](Cc1ccsc1)N(C)Cc1nnc(-c2cccs2)o1 89904290 ZUPYFITZSMJOKL-LLVKDONJSA-N 319.455 3.923 0 40 DHAB CCCn1nc(C)c(CNCc2ccc(C)cc2N(C)C)c1C 95414147 DERIQYYPMDCAQK-UHFFFAOYSA-N 314.477 3.574 0 40 DHAB Cc1ncc(C(=O)N2CC[C@H](C)Sc3ccccc32)c(C)n1 95990463 UDFMVSNIWSCVBU-NSHDSACASA-N 313.426 3.625 0 40 DHAB C[C@@H]1CCCCN1C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 96192879 ILIJXMPPEXVRII-SJKOYZFVSA-N 320.820 3.624 0 40 DHAB CC(C)(NC(=O)CSCc1ccncc1)c1cccc(F)c1 96413191 QSCXTABOIWICQY-UHFFFAOYSA-N 318.417 3.505 0 40 DHAB Cc1nnc(CNc2ccc3nc(C(C)(C)C)sc3c2)n1C 97048079 ZIZGLWVPXXKBNQ-UHFFFAOYSA-N 315.446 3.643 0 40 DHAB O=C(O)[C@H]1CC[C@H](C(=O)c2cccc(Br)c2)CC1 100449764 PNLUUWXXVKDKPP-AOOOYVTPSA-N 311.175 3.523 0 40 DHAB Cc1ccc(OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 100626563 XGCHIJHRKMTYLA-HNAYVOBHSA-N 301.430 3.801 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102306321 DTMAZMKJRNMIRQ-DXWTWGPWSA-N 301.430 3.703 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102595285 SIRDUEBANVXGRZ-RCMKLKEOSA-N 301.430 3.785 0 40 DHAB CC(C)c1ccccc1OCCNC(=O)NC1CCCCC1 223838487 NZHYUWHWSMQWPE-UHFFFAOYSA-N 304.434 3.821 0 40 DHAB CCCC(CCC)OC(=O)c1snnc1-c1coc(C)n1 223859412 NNEIZNUGYWZTPM-UHFFFAOYSA-N 309.391 3.627 0 40 DHAB Cc1c(Cl)cnc(NC(=S)NCc2ccco2)c1Cl 223900975 NIMKUJRMQXEGKM-UHFFFAOYSA-N 316.213 3.776 0 40 DHAB CCc1nc2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2n1C 225894686 BZIWFAJVEOZWTQ-ZDUSSCGKSA-N 319.408 3.727 0 40 DHAB COc1ccccc1[C@@H]1CCCN1Cc1cc(C)c(C(=O)O)o1 563726005 WXHDQEFDEHPNNI-HNNXBMFYSA-N 315.369 3.632 0 40 DHAB Cc1cc(N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)ncn1 684838362 KILKRFNOBLJOIZ-QGZVFWFLSA-N 319.412 3.907 0 40 DHAB Cc1ccc(OCC(=O)Oc2ccccc2)c(Br)c1 38540 HPCRHSCSHAEJIO-UHFFFAOYSA-N 321.170 3.742 0 40 DHAB Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 121943 UPISWJXXRWYHSQ-UHFFFAOYSA-N 309.803 3.967 0 40 DHAB Cc1cc2oc(-c3ccc4c(c3)OCCO4)cc(=O)c2cc1C 135854 FCOIBZINEBSYGO-UHFFFAOYSA-N 308.333 3.848 0 40 DHAB biogenic O=C1N[C@@H](c2cc3ccccc3nc2Cl)Nc2ccccc21 381870 MZLCXFSVTREBNM-INIZCTEOSA-N 309.756 3.742 0 40 DHAB O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2ccc(Cl)cc21 518000 MCLVSBUCBYULQY-MRXNPFEDSA-N 316.740 3.818 0 40 DHAB biogenic O=c1c2sccc2nc(SC(F)F)n1-c1ccccc1 1405291 ITGQATWLVAWECR-UHFFFAOYSA-N 310.350 3.762 0 40 DHAB COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OC 3174118 JGQBFYMDBFLUEU-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(F)c1 4591416 GAQGFJHRQRFVHY-UHFFFAOYSA-N 305.378 3.977 0 40 DHAB O=C(O)[C@@]1(Br)CC12c1ccccc1-c1ccccc12 5004778 XAXOSYPNKFMSGC-INIZCTEOSA-N 315.166 3.575 0 40 DHAB CC(C)(C)c1nnc2sc(COc3ccc(Cl)cc3)nn12 5015453 MZZSMWRYTRKNBB-UHFFFAOYSA-N 322.821 3.716 0 40 DHAB CCOc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1 5021764 IMGALUNBIPGIOW-SQFISAMPSA-N 318.376 3.740 0 40 DHAB CN(C)Cc1cccc(C(F)(F)F)c1[C@@H](O)c1ccccc1 5599730 VIIGQOVLVXXHSL-INIZCTEOSA-N 309.331 3.849 0 40 DHAB CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1cccc(F)c1 6839538 XXSZBJZMEUAAGB-UHFFFAOYSA-N 324.758 3.689 0 40 DHAB CC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)s1 7069696 CBHVPDDUBDKPCF-UHFFFAOYSA-N 324.199 3.966 0 40 DHAB CN(Cc1nc2ccccc2s1)c1ncnc2sccc12 7469546 YIPNQRZGZCTFQF-UHFFFAOYSA-N 312.423 3.937 0 40 DHAB Cc1csc(SCC(=O)N(c2ccccc2)C(C)C)n1 8132351 AUSZJGCCAQSTFN-UHFFFAOYSA-N 306.456 3.985 0 40 DHAB CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1 8662694 WQCQQFRBISETBO-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB Fc1ccc(-c2nn3c(-c4cccs4)nnc3s2)c(F)c1 9341728 MHIFWSIPLHQVLE-UHFFFAOYSA-N 320.349 3.860 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)c(C)c1 9888531 VHAQFPWOXHGBLR-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)N2CCc3sccc3C2)cc1F 10767738 PAEAXGBAIGGWGI-GFCCVEGCSA-N 318.417 3.581 0 40 DHAB CCOc1ccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)cc1 12415134 LBWXSQWPTQGZHM-UHFFFAOYSA-N 322.324 3.785 0 40 DHAB Brc1ccc(-n2cnnc2-c2ccccc2)cc1 12551163 BDKKKDCYHYELNV-UHFFFAOYSA-N 300.159 3.697 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1C 12939610 DFSXNMQQBNNGNL-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB CCOC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694945 NOQRSUUFBRUJRL-UHFFFAOYSA-N 316.382 3.519 0 40 DHAB C[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1CCCCC1 14114145 HOSYTJIGTNZYNK-CYBMUJFWSA-N 315.442 3.623 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)OCc1ccccn1 14897546 SGGFUWPWBWRKNC-UHFFFAOYSA-N 310.378 3.871 0 40 DHAB Cc1ccc(CNC(=O)CNc2ccc(C(F)(F)F)cc2)cc1 15123006 KLDODOPGRIZCAI-UHFFFAOYSA-N 322.330 3.742 0 40 DHAB O=C(/C=C/c1ccco1)NCCCc1nc2ccccc2s1 16471508 BVBDZDLIYMMWIT-MDZDMXLPSA-N 312.394 3.652 0 40 DHAB CCCCCC(=O)NC(=S)Nc1cccc2c(O)cccc12 17053947 XARYYYGRLBVWRP-UHFFFAOYSA-N 316.426 3.939 0 40 DHAB O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl 20393492 QKCPCQXBYRELOY-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 20451372 MABYVJCWMNEUKT-CYBMUJFWSA-N 323.845 3.829 0 40 DHAB COc1ccc(Cl)cc1C(=O)N1c2ccccc2C[C@@H]1C 20836794 FGMKIHHWOJROJG-NSHDSACASA-N 301.773 3.940 0 40 DHAB O=C(c1ccccc1F)N1CCCC[C@@H]1CCN1CCCCC1 21170582 IDENQCILGUNOTG-MRXNPFEDSA-N 318.436 3.696 0 40 DHAB Cc1ccc(NC(=O)COc2nc(C)nc3ccccc23)c(C)c1 21361055 MNRHWHAEFDSIFC-UHFFFAOYSA-N 321.380 3.573 0 40 DHAB CC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccc(C)cc13)CCCC2 22156232 RQPUPLBALBXMIY-CYBMUJFWSA-N 311.381 3.556 0 40 DHAB COc1ccc(/C=C2\Sc3ccccc3NC2=O)c(OC)c1 26894396 RSHTYEYDSXKMOV-SXGWCWSVSA-N 313.378 3.789 0 40 DHAB C[C@H]1CCCCN1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969557 SCVRRLWAOFZKSJ-ZDUSSCGKSA-N 317.820 3.599 0 40 DHAB Cc1ccc(NC[C@@H](O)COc2ccc(Cl)cc2)cc1C 32203347 KPPMRVKQWNMPOO-MRXNPFEDSA-N 305.805 3.809 0 40 DHAB O=C(NCc1ccccc1Cl)c1ccn(C2CCCC2)n1 32610863 DHJKZTVOZKITNG-UHFFFAOYSA-N 303.793 3.582 0 40 DHAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)o1 35767001 LQVDGQLRPQHUED-PLSXKVAHSA-N 324.376 3.905 0 40 DHAB COc1cc(CN2CCOc3ccccc32)ccc1OC(F)F 40119088 SOIGXKQWGXKKGF-UHFFFAOYSA-N 321.323 3.696 0 40 DHAB CC(C)c1noc([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 41122555 PAAVLXPHESWEJU-OAHLLOKOSA-N 319.449 3.869 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)no1 44633978 XSQMGHYNCJEZQN-VYDXJSESSA-N 314.360 3.589 0 40 DHAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1Cc1ccccc1 48299318 PQNXPRPDGLHCMK-KRWDZBQOSA-N 314.816 3.943 0 40 DHAB O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCSCC1 48990294 PQOPLGZATPTONV-UHFFFAOYSA-N 312.847 3.586 0 40 DHAB CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 53720117 RBAIPPSMQJIWPW-UHFFFAOYSA-N 323.274 3.655 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1Cl 55693182 PHRAKWLLIOGXDE-ZDUSSCGKSA-N 303.789 3.846 0 40 DHAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(C1CCCC1)C3 57135035 CLZGZJDSTGSAAP-UHFFFAOYSA-N 319.788 3.849 0 40 DHAB Cc1ccsc1CN(C)[C@H](C(=O)NC1CC1)c1ccccc1 57785013 YPSDVNQZQGUPJA-KRWDZBQOSA-N 314.454 3.508 0 40 DHAB O=S(=O)(Cc1ccccn1)Cc1ccc(Cl)cc1Cl 58596613 RCIPUNBIKQSDCV-UHFFFAOYSA-N 316.209 3.503 0 40 DHAB Cc1ccc(-c2[nH]c3cc4c(cc3c(=O)c2C)OCCO4)cc1 67340163 RFKDNJSHOINBCT-UHFFFAOYSA-N 307.349 3.583 0 40 DHAB CC[C@H]1CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1 69200929 UZWRNPUHPDVSOU-HNNXBMFYSA-N 312.417 3.585 0 40 DHAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 71870651 IDBYREJWXVVASX-OAHLLOKOSA-N 323.396 3.669 0 40 DHAB Cc1c(NC(=O)C[C@H]2CCCc3ccccc32)cccc1C(N)=O 71888043 LYLBOWLQZHBMAX-OAHLLOKOSA-N 322.408 3.543 0 40 DHAB CC(C)Cc1nn(-c2ccccc2)c(Br)c1C=O 72190625 AZAYWWKYUOVUFQ-UHFFFAOYSA-N 307.191 3.646 0 40 DHAB O=C(Nc1ccc(Br)cc1C(F)(F)F)C1CC1 75496605 ALQXGXOACLRYJC-UHFFFAOYSA-N 308.097 3.816 0 40 DHAB O=C(c1ncoc1-c1cccs1)N1CCC[C@@H]1C1CCC1 89800045 XZQNPEPTXCJEMZ-GFCCVEGCSA-N 302.399 3.808 0 40 DHAB COc1ccc([C@H](C)[C@H](C)NCCc2csc(C)n2)cc1 95419966 IDQRGRWYHBZGDT-OLZOCXBDSA-N 304.459 3.784 0 40 DHAB C[C@H](Nc1ncnc2nn(C)cc12)c1ccc(C(F)(F)F)cc1 95973292 MMJFEHGGBMPSCE-VIFPVBQESA-N 321.306 3.555 0 40 DHAB CC[C@@](CNC(=O)c1cccc(F)c1)(OC)c1ccccc1 96123688 OQLDWFMPDHQCKL-SFHVURJKSA-N 301.361 3.507 0 40 DHAB CN(C)C(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 96154747 HIIINULPRKSJEN-UHFFFAOYSA-N 322.412 3.620 0 40 DHAB Cc1cccc([C@@H](C)CNC(=O)N(C)[C@@H](C)c2ccncc2)c1 96421640 KFLABRZNZDONGO-HOTGVXAUSA-N 311.429 3.896 0 40 DHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113953952 IHLZCRDMLLYZEF-RJZRQDKASA-N 307.821 3.802 0 40 DHAB Cc1oc(-c2ccccc2)c(C(=O)N(C)c2nncs2)c1C 189140031 AZFNZGYFMXSSAP-UHFFFAOYSA-N 313.382 3.692 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2c3ccnn3[C@H](C)C[C@H]2C)s1 245289835 FLFGIWXPCNBYRE-OXHZDVMGSA-N 315.442 3.743 0 40 DHAB Cc1cc(C(=O)O)cc(C)c1OC(=O)c1ccccc1Cl 256050582 FPXGQOQNSCIDQY-UHFFFAOYSA-N 304.729 3.874 0 40 DHAB COCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 409129632 VERFPKFVMGABRK-SDNWHVSQSA-N 319.426 3.667 0 40 DHAB C[C@@](O)(CNc1ncc(Cl)cn1)c1cc2ccccc2s1 1775969208 BMEGWSAJKLZUCJ-OAHLLOKOSA-N 319.817 3.664 0 40 DHAB Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(C)c1 45004 JMVQYBJGDQJION-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB O=C(O)C[C@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 117210 UUIRWZNSLSACOU-AWEZNQCLSA-N 309.793 3.552 0 40 DHAB Cc1ccc(NC(=O)NC(=O)c2cc(Cl)cnc2Cl)cc1 166711 IRAORTVTUYFSLB-UHFFFAOYSA-N 324.167 3.659 0 40 DHAB COc1ccc(OCc2ccccc2)c(/C=C2/N=C(C)OC2=O)c1 207287 MCGSSDQQJYZTDJ-GZTJUZNOSA-N 323.348 3.590 0 40 DHAB COc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 359603 FFSJHJLOYCXMPA-GDNBJRDFSA-N 313.740 3.693 0 40 DHAB O=C1c2ccccc2C(=O)N1COc1cc(Cl)ccc1Cl 480248 HPUCNDDLZJMOLX-UHFFFAOYSA-N 322.147 3.626 0 40 DHAB Cc1cc(C)n([C@@H]2CCCC[C@H]2OC(=O)c2ccccc2F)n1 554841 AUHRYULJCBPMPG-IAGOWNOFSA-N 316.376 3.980 0 40 DHAB O=C(O)CCCSc1ncnc2sc3c(c12)CCCC3 1811325 JHNTZRJVXCOHTH-UHFFFAOYSA-N 308.428 3.527 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCCSc2ccccn2)cc1 2062289 PMUQACMURNTYRN-UHFFFAOYSA-N 314.454 3.901 0 40 DHAB CCOC(=O)CCCCCCC(=O)c1ccc(OC)c(OC)c1 2580439 RCUSWMGNKWUSOF-UHFFFAOYSA-N 322.401 3.790 0 40 DHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1 3341899 GRVIJEAJSYHUNH-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB Cc1nc(NCc2ccco2)sc1C(=O)Nc1ccccc1 3547701 BTTLCZNRMCBNBA-UHFFFAOYSA-N 313.382 3.909 0 40 DHAB COc1cccc(CC(=O)Nc2cc(C)c(Cl)cc2OC)c1 3552030 LINMTKSUXJGOKL-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB C[C@@H](CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 4901631 QAFLOFGHKVZAQQ-INIZCTEOSA-N 324.424 3.656 0 40 DHAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1O 5686284 URVMBLYPJHCNDT-UHFFFAOYSA-N 324.332 3.847 0 40 DHAB biogenic COc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1 6638329 HTIQWXSSFORZOT-UHFFFAOYSA-N 305.374 3.955 0 40 DHAB Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1C 7070488 QAWIPDMJWLZSOG-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)o1 7975935 ZDIMOWAHYHUMJT-LBPRGKRZSA-N 306.793 3.700 0 40 DHAB O=C(CSc1nc(-c2cccs2)n[nH]1)c1cccs1 8986844 BTWBCQBNNXOMQE-UHFFFAOYSA-N 307.425 3.570 0 40 DHAB O=C(Nc1ccnn1C1CCCC1)c1ccc2ccccc2n1 9364795 OIIAAAGLFKHAJB-UHFFFAOYSA-N 306.369 3.799 0 40 DHAB CCCOc1cccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)c1 11915447 FAYXGZFAXCOEGI-LBPRGKRZSA-N 314.385 3.841 0 40 DHAB Cc1cn2c(CC(=O)Nc3ccc(C)c(Cl)c3)csc2n1 12534963 KYPAEWNBHHWGFM-UHFFFAOYSA-N 319.817 3.847 0 40 DHAB COc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)c(OC)c1 12802460 QJPHVTHUNNXXKG-UHFFFAOYSA-N 315.413 3.715 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)C2CC2)c1 12861138 KGTHTGIUFONPOK-UHFFFAOYSA-N 315.438 3.657 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)NCCc1ccc(F)cc1 12926816 KFODQYVMWONJDB-AWEZNQCLSA-N 300.377 3.737 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C(C)=O)c1 14013352 UGCQBRASIOVHMY-SFHVURJKSA-N 311.381 3.994 0 40 DHAB Cc1ccc(C)c(NC(=O)C2(CC(=O)NC(C)C)CCCC2)c1 14244864 KKRIKMPLTCWMFG-UHFFFAOYSA-N 316.445 3.717 0 40 DHAB O=C(O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F 14960343 HBJUFAHIACMPFY-UHFFFAOYSA-N 324.315 3.801 0 40 DHAB Cc1ccc(-c2nonc2NC(=O)Cc2ccccc2)cc1C 15670759 UWUXZRKHWUSOMP-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1C 17915988 YRXANVLTFBPTPO-CQSZACIVSA-N 301.361 3.699 0 40 DHAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccco1 20139683 RZEGLNBWMNLOSB-UHFFFAOYSA-N 300.097 3.537 0 40 DHAB COc1cc(C(=O)Nc2cccc3cnccc23)cc(OC)c1C 21217280 GSDDCMRVJRHVID-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB CC(C)(C)c1ccc([C@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)cc1 21367486 DWNZBLIMPYBSAJ-OAHLLOKOSA-N 321.380 3.800 0 40 DHAB CC(C)c1nnc(NC(=O)c2cc(-c3cccs3)on2)s1 21786037 OSOCKHYFDNWPTK-UHFFFAOYSA-N 320.399 3.630 0 40 DHAB Cc1nccn1-c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 28245143 BJYXWUFILFJLLD-RBUKOAKNSA-N 317.392 3.923 0 40 DHAB CCCCN(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 32909655 XPYQSIQAEGPUNB-UHFFFAOYSA-N 320.433 3.583 0 40 DHAB Cc1noc(C)c1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 32983512 JSTOIEHBGGATJZ-MRVPVSSYSA-N 312.291 3.801 0 40 DHAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C)cc1 38772783 LZHRWPGJTRPDOS-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB CN(CCCc1ccccc1)Cc1nc(Cc2ccccc2)no1 40105857 NAERSNYAWAJCSF-UHFFFAOYSA-N 321.424 3.725 0 40 DHAB CCCCNC(=O)N1CCCC[C@H]1c1nc([C@H](C)CC)no1 41122868 HHFMHNLSBBFEFO-OLZOCXBDSA-N 308.426 3.620 0 40 DHAB CCOc1ccc(NC(=S)NCc2cccc(C)c2)cc1 44385808 UAEALBRTYIRSGX-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CSc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3C)cc1 44890612 BKFNHFCFJRYVDA-CQSZACIVSA-N 319.455 3.875 0 40 DHAB CN(Cc1cccs1)C(=O)NCc1nc2ccccc2s1 44892624 IOSYOVGQPVOUEZ-UHFFFAOYSA-N 317.439 3.699 0 40 DHAB CC(C)OCc1cccc(CNC(=O)c2c(F)cccc2F)c1 49155172 PBWNSDYWZWVWNE-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB CCCCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1OC 57289053 AXXXRMSSWQMDFP-UHFFFAOYSA-N 315.369 3.832 0 40 DHAB O=C(Nc1ccc2ncccc2c1)C1=Cc2ccccc2OC1 58356196 AEYWLZVNEJCTRF-UHFFFAOYSA-N 302.333 3.649 0 40 DHAB C[C@@H](O)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 61011963 FCVGEBBPOYXONE-SECBINFHSA-N 300.185 3.724 0 40 DHAB COc1cccc(NC(=O)Cc2coc3ccc(OC)cc23)c1 61997300 PYWGUIXWLAPXNT-UHFFFAOYSA-N 311.337 3.631 0 40 DHAB O[C@@H](c1ccc(Br)cc1)c1cc(F)c(F)c(F)c1 63008372 SMQJBQUQPPWGDJ-ZDUSSCGKSA-N 317.104 3.948 0 40 DHAB Cc1c(Cl)c(CN2CCc3cncnc3C2)nc2ccccc12 69485963 ZLEFCTFQEXSTIV-UHFFFAOYSA-N 324.815 3.545 0 40 DHAB O[C@H](CN(Cc1ccco1)C1CCCC1)c1ccc(F)cc1 71811000 FOPPUUIYQVRUFM-GOSISDBHSA-N 303.377 3.897 0 40 DHAB Cc1ccsc1-c1nnc(-c2cc3ccccc3oc2=O)o1 72332486 MDFFEQJHXTXQSG-UHFFFAOYSA-N 310.334 3.880 0 40 DHAB C[C@@H](NC(=O)C(C)(C)c1cccc(Cl)c1)c1cccnc1 76559407 SARKMNJIYYNKKQ-GFCCVEGCSA-N 302.805 3.890 0 40 DHAB C[S@](=O)Cc1cc(NC(=O)C[C@@H]2C=CCC2)ccc1Cl 79361159 SOYWLCMFAANCJG-BIBXISHDSA-N 311.834 3.513 0 40 DHAB C[C@H](O)CC(C)(C)CNC(=O)c1ccccc1-c1ccccc1 89894771 OMLADRXDYUSGKS-HNNXBMFYSA-N 311.425 3.881 0 40 DHAB C[C@H](c1cccnc1)N(C(=O)c1ccnn1C1CCCC1)C1CC1 89910005 STVCFNIHUJSWEC-CQSZACIVSA-N 324.428 3.759 0 40 DHAB C[C@H](NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 95419734 NJFKIUJRPMXIFZ-GWCFXTLKSA-N 313.369 3.979 0 40 DHAB C[C@@H](OC(=O)c1ncoc1[C@@H]1CCCO1)c1ccc(F)c(F)c1 95449801 UXWPXZLFAYCCJP-RNCFNFMXSA-N 323.295 3.722 0 40 DHAB O=C(CCn1ccc2ccccc21)NCc1c(F)cccc1F 96232021 UWPBMBAWUCMMSN-UHFFFAOYSA-N 314.335 3.626 0 40 DHAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]21 100184548 YCHQYZZUXVHAEQ-KNCCTNLNSA-N 307.393 3.561 0 40 DHAB O[C@@H]1C[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 104150253 AIQYEQPOBADLFA-FSSWDIPSSA-N 314.384 3.969 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NCCSC(C)(C)C 113959311 VJVKMGCWFVLJMQ-ZDUSSCGKSA-N 313.438 3.631 0 40 DHAB CSC1(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 193787091 BDUKVNNSWORIBA-UHFFFAOYSA-N 322.327 3.862 0 40 DHAB Cc1ccc(SCCC(=O)NCCOc2ccccc2)cc1 223440413 LBKQMDWEYJCMRT-UHFFFAOYSA-N 315.438 3.672 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1Cl 223444811 YMTRKYFFLQEDSX-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 224207237 ZPPLFXSFRMOTFZ-PHNROFDPSA-N 313.441 3.638 0 40 DHAB O=C(Cc1ccc(Cl)cc1F)NCc1ccc(Cl)cc1 224919856 YNWWJOGONRBIDH-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB CCCCOc1ccc(NC(=O)C(F)(F)F)c2cccnc12 225878899 SNCXTIUSTZHMQW-UHFFFAOYSA-N 312.291 3.915 0 40 DHAB Cc1cc(N)cc(Br)c1NC(=O)C1CCCCC1 227144916 FGPVYJGUQXBJJC-UHFFFAOYSA-N 311.223 3.859 0 40 DHAB C[C@H](NC[C@@H](O)COCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 252505361 LPUMTQRKKILSNT-CZKCSJLSSA-N 317.473 3.541 0 40 DHAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 408666471 PTFUEYKNXLEURT-MRXNPFEDSA-N 323.392 3.516 0 40 DHAB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1 511893702 PBYOPLZCXYXWGO-INIZCTEOSA-N 321.829 3.614 0 40 DHAB O=C(C1CCCC1)N1CCC(c2ccc3cccnc3n2)CC1 655265377 RJFZFBHNNQYFPU-UHFFFAOYSA-N 309.413 3.526 0 40 DHAB O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1 305150 ZMDSHAIQVYLEET-UHFFFAOYSA-N 316.198 3.648 0 40 DHAB O=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1 415719 DBXADZMAHKVGLB-UHFFFAOYSA-N 314.341 3.851 0 40 DHAB Cn1c2ccccc2c2cc(C(=O)NCc3ccco3)sc21 1402099 KWQWOIATYYYNOI-UHFFFAOYSA-N 310.378 3.916 0 40 DHAB CCN(C(=O)COC(=O)c1cccc(C)c1C)c1ccccc1 3230053 RHRGRQGXOZXBTF-UHFFFAOYSA-N 311.381 3.513 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 3514845 JVAVQDQUZRTYLK-LBPRGKRZSA-N 317.772 3.949 0 40 DHAB O=Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 4201519 KCICJVHKRNPVMJ-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB CC(C)Sc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 4295898 LJFHLPSWVZIZSH-JTQLQIEISA-N 313.423 3.642 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nncs1 5101227 MSHHLJUBPTYELN-VIFPVBQESA-N 303.412 3.691 0 40 DHAB Cc1ccc2cccc(OCC(=O)Nc3ccccc3F)c2n1 5198677 YUOCWPWACWLCSW-UHFFFAOYSA-N 310.328 3.700 0 40 DHAB O=C(Nc1ccccc1Cl)c1cc(-c2ccccc2O)[nH]n1 5343508 RTCCWVDMXVEWNC-UHFFFAOYSA-N 313.744 3.688 0 40 DHAB Nc1nnc(/C(=C\c2ccccc2)c2nc3ccccc3[nH]2)s1 5387556 IBGCBRNPNZEVBX-BENRWUELSA-N 319.393 3.586 0 40 DHAB COc1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1 5527477 FXZNAKQAFGZCRV-UHFFFAOYSA-N 314.362 3.616 0 40 DHAB CCCCOc1ccc(C[C@@H](O)CN2CCCC[C@@H]2C)cc1 5732803 CAYFNLUNTXBSSB-FUHWJXTLSA-N 305.462 3.643 0 40 DHAB FC(F)(F)c1nnc(-c2ccccc2)nc1N1CCCCC1 6242836 KXSZBEQPUSNLGF-UHFFFAOYSA-N 308.307 3.548 0 40 DHAB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)c1ccccc1 6922333 YXWSSWSRPWBSCU-UHFFFAOYSA-N 308.333 3.672 0 40 DHAB CN(Cc1ccc(C(C)(C)C)cc1)Cn1c(=O)oc2ccccc21 7077526 MFTLAHHSEPTIIT-UHFFFAOYSA-N 324.424 3.982 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)NCCSc1ccccc1 13011902 HFAJQMGTFFOCNT-UHFFFAOYSA-N 310.422 3.619 0 40 DHAB COc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 13984800 DBNLCECAQDKBRP-HNNXBMFYSA-N 317.385 3.801 0 40 DHAB CN1CCc2nc(NC(=O)c3ccc4ccccc4c3)sc2C1 15880119 WNVHRYSVVQWEGL-UHFFFAOYSA-N 323.421 3.537 0 40 DHAB O=C(NCc1cccnc1)c1ccc(-c2ccccc2Cl)o1 17168930 HNBPZSMWPBFGHJ-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2ccccc2Cl)c1 20447806 NZETUZPTYILVNY-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB CC(C)(C)c1ccc(OCCNC(=O)Cc2cccs2)cc1 24650655 KMNVQPDHUXHCRC-UHFFFAOYSA-N 317.454 3.783 0 40 DHAB Cc1cc(C(=O)N[C@H](C)c2ccccc2OC(F)F)c(C)o1 25297767 SCUJGKXVAPDSGJ-SNVBAGLBSA-N 309.312 3.989 0 40 DHAB Cc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(F)cc1 25442019 LIDISOSHDSUHIJ-SFHVURJKSA-N 312.388 3.910 0 40 DHAB O=c1oc2ccccc2n1CCSc1ccc2ccccc2n1 26014648 CVVOCAUUCKKSSZ-UHFFFAOYSA-N 322.389 3.935 0 40 DHAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Cl)cn1 32759334 AEBMEZMVUVGYNE-GFCCVEGCSA-N 315.804 3.515 0 40 DHAB Cc1ccc(-c2onc(C)c2C(=O)NCCCOC(C)C)cc1 35672339 MTBYATYTWSMWOR-UHFFFAOYSA-N 316.401 3.503 0 40 DHAB O[C@](CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@H]2C=C[C@@H]1C2 43781595 YSXKPIUOCJLQIE-IZZBFERCSA-N 311.469 3.962 0 40 DHAB in-vitro CC(C)CC[C@@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 44087406 FMNNUHGMXLWGKV-GFCCVEGCSA-N 302.378 3.683 0 40 DHAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(F)cc1Cl 44891356 OMLFUEYCIFSEIM-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB CCCc1ccccc1NC(=O)N1CCC(N2CCCC2)CC1 47486334 VEPSEEWDZQHOJO-UHFFFAOYSA-N 315.461 3.731 0 40 DHAB CC(C)c1ccc([C@H]2SCC(O)=Nc3c2cnn3C)cc1 49550709 FQCBGWWJIAAIKM-OAHLLOKOSA-N 301.415 3.968 0 40 DHAB c1ccc(CN(Cc2csc(-c3ncccn3)n2)C2CC2)cc1 51403263 XLQDFVNKTJQVCB-UHFFFAOYSA-N 322.437 3.765 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1ccccc1F 53521436 PVWSKNKLYSBVJD-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc[nH]3)cc2)n1 58550789 MXZALUFEXIZWRR-UHFFFAOYSA-N 324.409 3.825 0 40 DHAB CCCCC[C@H](C)NC(=O)CN(C)Cc1cccc(Cl)c1 61779022 PZMLCTIOVSLGEQ-AWEZNQCLSA-N 310.869 3.857 0 40 DHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C)nn1C 69351280 YAKUJQDOSZNSOC-IRXDYDNUSA-N 311.429 3.527 0 40 DHAB CC(C)(C)CC(=O)Nc1ccc(-n2cnc3ccccc32)nc1 71862426 UVGDFZGZMKTCOV-UHFFFAOYSA-N 308.385 3.795 0 40 DHAB Cn1c(NC(=O)c2nccc3ccccc23)nc2cc(F)ccc21 72303500 LFRRAWIQLOVLCY-UHFFFAOYSA-N 320.327 3.513 0 40 DHAB CCc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 72331462 ZFOOSQNCZZKLFF-UHFFFAOYSA-N 318.214 3.942 0 40 DHAB Cc1ncsc1CNC[C@@H]1CCCn2cc(C(C)(C)C)nc21 84066524 LBQUWODDPPEOQB-ZDUSSCGKSA-N 318.490 3.613 0 40 DHAB COc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1 89064312 KDXMJVPCROGYGJ-UHFFFAOYSA-N 305.171 3.997 0 40 DHAB Fc1ccc(NCc2cncs2)c(OCC(F)(F)F)c1 89793363 ORTWEFRQSYSMSW-UHFFFAOYSA-N 306.284 3.835 0 40 DHAB O=C(c1cc(C2CC2)on1)N1CCCSc2ccccc21 89865594 VLJCQPNIYIOFOX-UHFFFAOYSA-N 300.383 3.695 0 40 DHAB CC(C)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 95410314 DKVLVPWTCRYETJ-UHFFFAOYSA-N 305.399 3.703 0 40 DHAB CCOc1cccc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)c1 95414945 XGSRKKPYNSOWNH-HNNXBMFYSA-N 322.412 3.517 0 40 DHAB CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc(C)c(C)c2)c1 95463198 CAQVEEDUQHCSHG-RTBURBONSA-N 309.409 3.988 0 40 DHAB COc1cc(-c2n[nH]c(=S)n2-c2ccc(C)cc2)ccc1O 95929450 SSADWHDYVOIWLE-UHFFFAOYSA-N 313.382 3.620 0 40 DHAB CCN(c1ccc(NC(=O)c2ccnc(C3CC3)n2)cc1)C(C)C 95958385 LJTGQZBLHNRFFZ-UHFFFAOYSA-N 324.428 3.841 0 40 DHAB COc1ccc(NC(=O)N(C)C[C@@H](C)c2nccs2)cc1C 96010558 HCKPDCQNUSPEJL-GFCCVEGCSA-N 319.430 3.728 0 40 DHAB CCN1C(=O)S/C(=C/c2ccccc2Br)C1=O 96565178 WMDPRBFKVHYZNA-JXMROGBWSA-N 312.188 3.505 0 40 DHAB C[C@@H]1C2=C([C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]13)[C@@H]1CC[C@@H]2C1 104295458 BVKOIAAHCMACRW-TWTFDDHTSA-N 321.420 3.805 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(F)cc1 113960011 FJFCMOSGJXWBGW-WBMJQRKESA-N 319.351 4.000 0 40 DHAB CCN(CC)C(=O)CSCc1cccc(Br)c1 126789650 WPHAXLRGFQXLKS-UHFFFAOYSA-N 316.264 3.551 0 40 DHAB CC1=CCC[C@H](C)[C@H]1CN1CCC(OC2CCOCC2)CC1 195575844 SYQIZYSEWALVKY-LPHOPBHVSA-N 307.478 3.639 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(C)cc1 222861638 DUYVCPYKGQIZKE-LJQANCHMSA-N 311.425 3.901 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCCOCc1ccccc1 223377530 WMTRNQFGGGYRPW-ZHACJKMWSA-N 315.800 3.686 0 40 DHAB Cc1cccc(Nc2ccc(NC(=S)NC(C)C)cn2)c1 223875958 LWXNFQCARANVRB-UHFFFAOYSA-N 300.431 3.828 0 40 DHAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NC(C)(C)C)cn2)C1 223882702 PEOWAABWDPIJIS-BETUJISGSA-N 320.506 3.649 0 40 DHAB Cc1c(Cl)cnc(NC(=S)NC2CCCC2)c1Cl 224033593 ZJYKQIVSJHDZQR-UHFFFAOYSA-N 304.246 3.926 0 40 DHAB Cc1ccc(N2N[C@@](C)(CCc3ccccc3)NC2=S)cc1 225349056 QGEJVMMBHNPWSV-SFHVURJKSA-N 311.454 3.543 0 40 DHAB C[C@@H](NC(=O)c1ccc2nc(Cl)oc2c1)c1ccccc1 225977470 QISPTSFYNZXNBF-SNVBAGLBSA-N 300.745 3.972 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 253479675 RSMCDIGUYNLUPN-UQZKUAJDSA-N 323.521 3.842 0 40 DHAB Cc1cc(CC[C@@H]2CCCN2C(=O)Cc2cccs2)ccn1 257222449 DTIYTCWTYFGSKD-INIZCTEOSA-N 314.454 3.618 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C1 257324340 WOFMXDBBBPOGEL-CYBMUJFWSA-N 311.410 3.563 0 40 DHAB Cc1ccccc1OCC(=O)NCc1ccc(-c2ccoc2)cc1 390831755 UQPCEZYIBYDQHE-UHFFFAOYSA-N 321.376 3.950 0 40 DHAB O=C(c1c(F)cccc1F)N1CCc2sc(Cl)cc2C1 575616432 OHQHCVCITQOBQX-UHFFFAOYSA-N 313.756 3.878 0 40 DHAB Cc1noc(C)c1C(=O)NC[C@@H](c1ccco1)c1cccs1 585147699 KJOMUSQTJXQZIV-LBPRGKRZSA-N 316.382 3.508 0 40 DHAB O=C(Cc1ccccc1Cl)N1CC[C@H](c2ccsc2)C1 675008109 AQAMJCJKOVZYCG-ZDUSSCGKSA-N 305.830 3.960 0 40 DHAB CC[C@H](C(=O)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2)c1ccccc1 1565520025 BSUWPTSJSXYEPY-LNLFQRSKSA-N 323.440 3.771 0 40 DHAB CCOc1cccc(/C=C2/N=C(c3ccccc3F)OC2=O)c1 95044 SMTRKAQHSKFSCG-LFIBNONCSA-N 311.312 3.569 0 40 DHAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 222032 FZGCRWCWZAPWNW-IRXDYDNUSA-N 324.359 3.572 0 40 DHAB COc1ccc(C[C@@H](C)CC(=O)Nc2ccc(OC)cc2)cc1 248009 OCCLDECMPRZCBW-CQSZACIVSA-N 313.397 3.911 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)cc1 307678 UBPGAGHLBNQINO-KRWDZBQOSA-N 324.380 3.597 0 40 DHAB CN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1CCCCC1 1475515 DLYJEEDHDSBGEA-GOSISDBHSA-N 319.489 3.988 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 3200468 KIFACWHHJOOGOC-UHFFFAOYSA-N 309.774 3.831 0 40 DHAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)O)c1 3394788 NBUIXPYWAMPNLW-UHFFFAOYSA-N 308.337 3.555 0 40 DHAB CN(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 3567500 RXRSTOYCHPOKCN-UHFFFAOYSA-N 308.303 3.780 0 40 DHAB FC(F)(F)c1nn2c(=S)nc(-c3ccccc3)nc2s1 3850803 YVWFIDCMHJSAOZ-UHFFFAOYSA-N 314.317 3.601 0 40 DHAB biogenic COc1ccccc1C[C@H](CC(=O)O)[C@@H]1CCOC(C)(C)C1 4904134 QJIWYGNJXDMZRQ-HUUCEWRRSA-N 306.402 3.534 0 40 DHAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc(C)c1C 5315944 KVXCVEZZNMQOBZ-XQQFMLRXSA-N 321.442 3.916 0 40 DHAB O=c1c(-c2ccc(O)cc2)c(C(F)(F)F)oc2cc(O)ccc12 5731165 FDOCSPJSORMSTH-UHFFFAOYSA-N 322.238 3.890 0 40 DHAB COC(=O)[C@H]1CC[C@H]2[C@H]3CCCC[C@H]3CC[C@@H]2[C@]1(C)C(=O)OC 5732154 UCYFCORFZAJVNQ-ZJPHLAFSSA-N 322.445 3.581 0 40 DHAB COc1ccc2oc(=O)c(-c3nc4ccc(C)cc4[nH]3)cc2c1 6408033 CUSKMTSFUQCCFD-UHFFFAOYSA-N 306.321 3.653 0 40 DHAB CCCCC[C@@H](C)NC[C@@H](O)COCc1ccccc1Cl 6940265 LFWAWRNAGYWOIA-GDBMZVCRSA-N 313.869 3.776 0 40 DHAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1F 7405428 IMIVNZNHMRZOHF-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB Cc1cc(C)n(CCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 7616288 GWSFKBZPGXJKJI-UHFFFAOYSA-N 312.200 3.836 0 40 DHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(F)c1 7878299 HIEGPIMNPJVHCU-SNVBAGLBSA-N 322.380 3.584 0 40 DHAB COc1cc(NC(=O)c2cc3c(s2)CCC3)cc(OC)c1 7969682 LJHGLRMAMFGIRR-UHFFFAOYSA-N 303.383 3.506 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2ccsc2)c1C 8059517 BLAFOTPRXITEPS-UHFFFAOYSA-N 323.483 3.802 0 40 DHAB Cc1c(Cl)cccc1-c1ccc(CNn2cn[nH]c2=S)o1 8548501 OULDYNBABWDVMB-UHFFFAOYSA-N 320.805 3.906 0 40 DHAB Cc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2C)cc1 8916631 RVFQQPDMUCYTDS-QGZVFWFLSA-N 319.360 3.585 0 40 DHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCCCC1 9515338 ABHRKBZFYHOSTM-JTQLQIEISA-N 301.217 3.806 0 40 DHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccco1 9609567 ARBOPXSGKBVIHC-UHFFFAOYSA-N 321.258 3.736 0 40 DHAB Cc1cc(C)cc(-n2ncc3c(N4CCC(C)CC4)ncnc32)c1 9627408 YASJYTVOHVDTQH-UHFFFAOYSA-N 321.428 3.669 0 40 DHAB O=C(Nc1ccnn1Cc1ccco1)c1ccc2ccccc2c1 9690616 BHYHZGQSNKLVEE-UHFFFAOYSA-N 317.348 3.930 0 40 DHAB Cc1ccc(CCC(=O)NCCSCc2ccccc2)cc1 10331641 IQCVBUOCEDEWRZ-UHFFFAOYSA-N 313.466 3.977 0 40 DHAB CC(C)c1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1 12414644 XEXSHMCJKXHBDV-UHFFFAOYSA-N 322.364 3.609 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)Cn3ccnc3)cc2)cc1 12525571 DUAKLLCNZFTVNP-UHFFFAOYSA-N 307.353 3.623 0 40 DHAB CC(C)CC(=O)Nc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 12809029 HDNHZAXSFODYTJ-CQSZACIVSA-N 300.402 3.966 0 40 DHAB CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1sccc1C 13014126 SSADGDVLHRJWRD-OAHLLOKOSA-N 302.374 3.893 0 40 DHAB O=C(COc1ccccc1F)Nc1ccccc1Br 14737836 QTTHFJOATQFVNH-UHFFFAOYSA-N 324.149 3.606 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(F)cc1Cl 15967117 ISGOMGUFQDVONZ-JTQLQIEISA-N 307.752 3.979 0 40 DHAB CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 17602934 IWVJJZJGBSHWNE-OAHLLOKOSA-N 324.424 3.682 0 40 DHAB CCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC 19736216 RGROSZFUANANKL-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB CCCCCOC(=O)C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2 20375214 SDMKHOWVSIWISF-KXBFYZLASA-N 315.413 3.880 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNCc1ccccc1 28297088 MPZAGZWOMAQZPD-IBGZPJMESA-N 322.452 3.717 0 40 DHAB CCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C 30289492 HBBZUOLVZMQAGP-UHFFFAOYSA-N 323.458 3.563 0 40 DHAB Cn1cc(/C=C/C(=O)N[C@@H](c2cccs2)C2CCCC2)cn1 31804699 YTZNYRCTZZVEFT-KBOKABMXSA-N 315.442 3.543 0 40 DHAB C[C@@H]1CC(=O)c2c(OCc3nnsc3Cl)ccc(F)c21 32814295 PSKIHVCMOGDWLH-ZCFIWIBFSA-N 312.753 3.600 0 40 DHAB CCCCC(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 35586399 JGPJXHBCQFEYIL-UHFFFAOYSA-N 313.279 3.884 0 40 DHAB CCOc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)cc1 36724629 DBWODRHDZGTNDV-UHFFFAOYSA-N 317.439 3.981 0 40 DHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc2ccccc2n1 38717050 ORHBPZKCNZKBOB-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB Cc1cc(C)n(-c2ccc(CC(=O)N(C)c3ccccc3)cc2)n1 40107391 XCXJACJWWYGWHL-UHFFFAOYSA-N 319.408 3.695 0 40 DHAB COc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1Cl 40438242 RHDXZSFQAHLOFN-UHFFFAOYSA-N 322.773 3.731 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C 44841616 NLQWHZQTLBEBOB-LLVKDONJSA-N 315.866 3.755 0 40 DHAB Cc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(Cl)s2)no1 46597931 ZWTSULKAXHPTDY-VIFPVBQESA-N 313.810 3.601 0 40 DHAB O=C(Nc1ccc2ccccc2n1)C1=NO[C@H](c2ccccc2)C1 55128083 TWAULEMCVMEZGO-KRWDZBQOSA-N 317.348 3.691 0 40 DHAB CN(C(=O)CN1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 55506090 ZJSPDUVYMDTCKD-GOSISDBHSA-N 312.388 3.626 0 40 DHAB CSc1ccccc1C(=O)NCCOc1cc(C)cc(C)c1 55526417 KFPXMLAIGKNQLQ-UHFFFAOYSA-N 315.438 3.834 0 40 DHAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc[nH]1 57331781 FKTACMFKRUVEMU-AWEZNQCLSA-N 311.410 3.644 0 40 DHAB O=C(CC[C@@H]1CCCO1)Nc1cccc(-c2nccs2)c1 58291636 KDQKSHSTRULKAA-AWEZNQCLSA-N 302.399 3.708 0 40 DHAB C[C@H]1CCCN(C(=O)CNc2ccc3c4c(cccc24)CC3)C1 58380446 PHYKVXJRWSUVHH-AWEZNQCLSA-N 308.425 3.609 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccn(Cc3ccccn3)n2)C1(C)C 58418169 MIVOLHLQUXJTEM-DOTOQJQBSA-N 324.428 3.503 0 40 DHAB CC(C)CCNC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 71909577 FMMGLXLIEPDWOB-QFIPXVFZSA-N 324.490 3.901 0 40 DHAB Cc1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)n1 78934289 LOUVMELRCMHWRJ-HNNXBMFYSA-N 312.438 3.644 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1C[C@@H]1c1ccco1 84027056 PGKPBUTYNWOXTB-KBPBESRZSA-N 323.348 3.599 0 40 DHAB Cc1ccccc1[C@H](NCc1ccc([S@](C)=O)cc1)C1CC1 84234905 BYFYPWOTIFWCAB-DENIHFKCSA-N 313.466 3.973 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@H]2Nc3ccc(Cl)cc3[C@@H]2C1 91303038 NUSSODRBWFEQDM-JSGCOSHPSA-N 308.809 3.859 0 40 DHAB Cc1ccc([C@H](O)CN[C@H](c2ccccc2)c2ccccn2)cc1 95405111 AVBKAYDJQCFQQT-NHCUHLMSSA-N 318.420 3.803 0 40 DHAB O[C@H]1CCCC[C@@H]1Oc1ccc(NC2CCSCC2)cc1 95964700 XPZSHSSXYMNETI-IRXDYDNUSA-N 307.459 3.676 0 40 DHAB COc1ncccc1C(=O)NCc1ccccc1-c1ccsc1 96383363 OJQPSWMXVADKDN-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB Cc1cc(NC(=O)Cc2nc(-c3cccs3)oc2C)sn1 96449164 JKHPWHFNGYLGIZ-UHFFFAOYSA-N 319.411 3.658 0 40 DHAB Cc1n[nH]cc1CNCc1ccccc1COc1ccccc1 97159240 SHSGXVGMAZQHTP-UHFFFAOYSA-N 307.397 3.587 0 40 DHAB C[C@@H]1C(=O)Nc2ccc(-c3csc(-c4ccccn4)n3)cc21 101089582 HSSMDPLMYLYIGW-JTQLQIEISA-N 307.378 3.928 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2ccccc2)cc1Cl 224121797 DBPNPHJRTFVVPP-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1cccc(Cl)c1 224173622 FSJIKRRNUNPIQM-CYBMUJFWSA-N 317.882 3.976 0 40 DHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1 225700017 UQZNAGGZJXGVQO-GOSISDBHSA-N 323.433 3.636 0 40 DHAB Fc1cccc(Cc2cnc([C@@H]3CCCN3CC3CC3)o2)c1 257245782 IRBCWEXNCKEBHV-KRWDZBQOSA-N 300.377 3.951 0 40 DHAB Fc1cccc(C[C@@H]2CCCN2Cc2nccn2C(F)F)c1 330032933 VDZSVRCLGCCDBI-AWEZNQCLSA-N 309.335 3.624 0 40 DHAB Cc1cc(C)nc(SCC(=O)Nc2ccccc2C(F)F)n1 343097125 MFHVJPYSQYULKH-UHFFFAOYSA-N 323.368 3.762 0 40 DHAB C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ncccc1Cl 585085735 IKKQTXJBBCXNBI-JTQLQIEISA-N 304.752 3.634 0 40 DHAB NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1 195593 LLOBIYSZOPFFII-SILNSSARSA-N 316.719 3.557 0 40 DHAB COc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 363705 PPDUNJDKNZCERG-UHFFFAOYSA-N 312.369 3.542 0 40 DHAB CCCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](C)C2 2082346 OANODSZPJZZMAX-SNVBAGLBSA-N 321.442 3.788 0 40 DHAB O=C1N[C@@H](c2ccccc2F)Nc2sc3c(c21)CCCC3 2475845 CHQRPBMZELJAIE-CQSZACIVSA-N 302.374 3.620 0 40 DHAB COc1ccc2oc(C(=O)NN3[C@H](C)CCC[C@H]3C)c(C)c2c1 3352335 CWBXKEJDCLRRRL-VXGBXAGGSA-N 316.401 3.658 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)NCc1nc2ccccc2s1 3438052 AOWMAWNGJVEKDM-JXMROGBWSA-N 312.369 3.765 0 40 DHAB CN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c2ccccc12 4090551 KUMFBRNUUDDMCI-LJQANCHMSA-N 317.392 3.932 0 40 DHAB biogenic O=[P@]1(c2ccccc2)OCCN1C12CC3CC(CC(C3)C1)C2 4602524 HSZXSYTUQOYLOG-GYSCCTMQSA-N 317.369 3.806 0 40 DHAB Cc1ccc(CC(=O)Nc2nnc(CC(C)(C)C)s2)cc1 4694460 REANMTXFBVYESX-UHFFFAOYSA-N 303.431 3.616 0 40 DHAB Cc1cccc(CS[C@@H](C)C(=O)NCCc2ccccc2)c1 9449905 JQICAQGAGXAFFE-INIZCTEOSA-N 313.466 3.976 0 40 DHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCC1 9465818 JNTFSHHPCRRKRA-UHFFFAOYSA-N 324.211 3.977 0 40 DHAB Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)on1 9516643 WGJKEEMNIUXXDI-GFCCVEGCSA-N 313.382 3.570 0 40 DHAB O=C(CCCc1nc(-c2cccs2)no1)Nc1ccccc1 9699743 VCYFBUHKAARDMQ-UHFFFAOYSA-N 313.382 3.760 0 40 DHAB CC(=O)Nc1ccc(OCc2cc(Cl)c3c(c2)OCO3)cc1 9762671 RIKQEBDJYBNZKG-UHFFFAOYSA-N 319.744 3.606 0 40 DHAB CC[C@@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccsc1 11438419 AXSQWALQNCFPEB-HNNXBMFYSA-N 306.406 3.736 0 40 DHAB CCCOc1ccc2cc(S(=O)(=O)NC(C)(C)C)ccc2c1 11614017 DCCCRJKXSHWRII-UHFFFAOYSA-N 321.442 3.705 0 40 DHAB COc1cc(C(=O)NCCCn2ccc3ccccc32)ccc1C 12563130 PSZLHJUEVJIPLY-UHFFFAOYSA-N 322.408 3.778 0 40 DHAB CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 12849919 VMUGAYXWMLHOCU-UHFFFAOYSA-N 321.779 3.953 0 40 DHAB O=C(Nc1nc2ccccc2s1)c1ccc(O)c(Cl)c1 12926206 HDADAIFLUNVKSG-UHFFFAOYSA-N 304.758 3.908 0 40 DHAB O=C(CCc1ccccc1Cl)Nc1ccc(C(=O)O)cc1 13166743 XPCNGVLNBMBVJI-UHFFFAOYSA-N 303.745 3.610 0 40 DHAB CC(C)(C)c1ccc(CCC(=O)NCCCN2CCCC2)cc1 13669346 CJXATSHBLGBNQX-UHFFFAOYSA-N 316.489 3.519 0 40 DHAB Cc1ccc(C)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 14291435 DDFAOKWOBZNURD-UHFFFAOYSA-N 309.818 3.899 0 40 DHAB CN(C)c1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 14793895 ZTASCMLJDZSKAG-UHFFFAOYSA-N 303.431 3.759 0 40 DHAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc2ccccc2c1 18322924 WBIAYYHZLRKPOM-HOTGVXAUSA-N 311.768 3.862 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cn(C)c2ccccc2c1=O 22234130 IYILCJGCDUPNKQ-UHFFFAOYSA-N 320.392 3.662 0 40 DHAB COc1cccc(C(=O)CSc2nccn2-c2ccccc2)c1 26127812 XFWNAPHHLZNJKM-UHFFFAOYSA-N 324.405 3.856 0 40 DHAB CCOc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1 26571758 USJYABGQENIJOT-UHFFFAOYSA-N 312.325 3.679 0 40 DHAB Fc1ccc(Cc2nn3c(-c4cccs4)nnc3s2)cc1 32105572 FJWNUESKDNYSOD-UHFFFAOYSA-N 316.386 3.644 0 40 DHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cc(Cl)ccc1F 32931291 QRXBNTPMUXXPPV-NHYWBVRUSA-N 313.800 3.804 0 40 DHAB C[C@H](Nc1ccccc1S(C)(=O)=O)c1ccc(F)cc1F 35046766 JBCTWKQXNUDCAA-JTQLQIEISA-N 311.353 3.541 0 40 DHAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CCC[C@@H]1c1ccccc1 35571164 QJJFWVCMROGUPE-KGLIPLIRSA-N 305.374 3.602 0 40 DHAB in-vitro CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1 43500849 QKNUVMRMRQPLHX-UHFFFAOYSA-N 324.302 3.508 0 40 DHAB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2csnn2)c1 48356263 JGZMEWMVOUEIEG-MRXNPFEDSA-N 322.393 3.618 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)C(=O)NCCC1=CCCCC1 48661007 VXLFJDUDWZIRHM-UHFFFAOYSA-N 320.820 3.594 0 40 DHAB CSc1ccccc1NC(=O)CN[C@H](C)c1ccccc1 57406597 HNIYFUJSSBQMGI-CYBMUJFWSA-N 300.427 3.698 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CN(c2cc(Cl)nc(N)n2)C2CC2)o1 58344417 FWOMNXJRWRFNSG-CABZTGNLSA-N 318.808 3.598 0 40 DHAB O=C(CC(c1ccccc1)c1ccccc1)Nc1c[nH]ccc1=O 58404401 GUDKRPPEURXUGZ-UHFFFAOYSA-N 318.376 3.536 0 40 DHAB CCCC[C@H](CC)CNS(=O)(=O)Cc1ccccc1Cl 59291786 NHHATRXLYJSCHR-ZDUSSCGKSA-N 317.882 3.976 0 40 DHAB COc1ccc(NC(=O)c2ccc3c(c2)COC3)c2cccnc12 64395290 QVQBGWODNNRDNJ-UHFFFAOYSA-N 320.348 3.526 0 40 DHAB O=C(COC1CCCC1)Nc1cccc(-c2nccs2)c1 64834078 VCWGJQQMKZOKMT-UHFFFAOYSA-N 302.399 3.708 0 40 DHAB CCOc1ccc(NC(=O)N(C)Cc2csc(C)n2)cc1C 65418762 NRDBTBVUAUYQGV-UHFFFAOYSA-N 319.430 3.823 0 40 DHAB Cc1noc(C)c1C(=O)Nc1cnccc1Oc1ccccc1 65512928 YHHFQEKIQQONLV-UHFFFAOYSA-N 309.325 3.731 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)cc2F)c1 65700427 PCFUEZMYZARJOC-UHFFFAOYSA-N 321.779 3.905 0 40 DHAB CC[C@@H](C)Sc1ccc(NC(=O)N2CCC[C@@H](O)C2)c(C)c1 69536112 HZAUUKCMCMROQA-ZIAGYGMSSA-N 322.474 3.874 0 40 DHAB Cc1cccc(-c2cccc(C(=O)NCCCn3cccn3)c2)c1 72264644 OULMHZRTEFGIIA-UHFFFAOYSA-N 319.408 3.679 0 40 DHAB C[C@H](CC(=O)N1CCCC[C@@H]1c1nccs1)n1cccc1 72286829 HXGLKXALJVOSOO-ZIAGYGMSSA-N 303.431 3.650 0 40 DHAB CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(COC)c2)C1 76067689 CLASNBSSHOXEGP-HZPDHXFCSA-N 307.459 3.579 0 40 DHAB CCN(Cc1ccc(C(=O)N2CCC(C)(C)C2)cc1)C(C)C 81350614 GKVKATGTCFQTIA-UHFFFAOYSA-N 302.462 3.789 0 40 DHAB CCn1cnnc1[C@H]1CCCN([C@@H](C)c2cccc(Cl)c2)C1 89310056 WJDABNWSGRIIQQ-ZFWWWQNUSA-N 318.852 3.892 0 40 DHAB CS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2O)C1 89334751 JJOXEIHRCVICTO-NXEZZACHSA-N 317.813 3.541 0 40 DHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc2[nH]ncc2c1 89800420 BGYALMOAKYPITC-UHFFFAOYSA-N 305.381 3.623 0 40 DHAB C[C@H]1OCC[C@@H]1NCc1ccccc1-c1ccc(CN(C)C)cc1 95431676 SYGSCHKZLMANNY-IERDGZPVSA-N 324.468 3.682 0 40 DHAB Cc1nnc(-c2ccccc2C(=O)OCCc2ccsc2)o1 96002345 BJAAOHYIAKSGAM-UHFFFAOYSA-N 314.366 3.506 0 40 DHAB COc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccccc31)cn2C 166447229 FGQWMJSNFXWRTC-SXGWCWSVSA-N 304.349 3.680 0 40 DHAB Cc1cnc([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)s1 195016335 ZZUFAAGMWQQDOS-LEWSCRJBSA-N 319.405 3.507 0 40 DHAB O=c1c2ccccc2cnn1-c1nc2c(Cl)cccc2s1 216736372 IIUJYNWXYLOWAP-UHFFFAOYSA-N 313.769 3.649 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(F)c2)c1 224957895 KFDZSFZVYKAANU-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB c1ccc(CO[C@H]2C[C@@H]3CN(Cc4cccnc4)C[C@@H]3C2)cc1 257241573 HYOXSTKPSGLMMS-PMOLBWCYSA-N 308.425 3.509 0 40 DHAB CCc1nsc(N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 273274596 ICTYSPWZNRJVBE-UONOGXRCSA-N 321.421 3.596 0 40 DHAB O=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccsc2)CC1 575620192 RHFLYXXNWJAMFU-UHFFFAOYSA-N 323.364 3.710 0 40 DHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccoc1 675008125 CCDNJUUGKMMDHU-GFCCVEGCSA-N 319.407 3.533 0 40 DHAB O=C(c1cncc(Br)c1)N1CCC(=C2CCC2)CC1 1775986004 OBZYQIDFXCNWPZ-UHFFFAOYSA-N 321.218 3.561 0 40 DHAB COc1c2c(nc3ccccc13)O[C@@H](C(C)(C)Br)C2 160707 ZDQKYJATGXFLGJ-GFCCVEGCSA-N 322.202 3.720 0 40 DHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C1CC1)c1ccc(Cl)cc1 1368839 NQVALRZZPIFDRZ-IAGOWNOFSA-N 318.848 3.618 0 40 DHAB CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)o1 2394781 GJWKEFORDURVQH-ZJUUUORDSA-N 315.439 3.794 0 40 DHAB CCn1cc(-c2cc(C(F)F)c3c(C)nn(CC)c3n2)c(C)n1 2732554 GYQWAHJZLBRQFM-UHFFFAOYSA-N 319.359 3.889 0 40 DHAB CCCOc1c(Br)cc(C=O)cc1Br 2738788 JGOXPSCZCSUULE-UHFFFAOYSA-N 321.996 3.813 0 40 DHAB COc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 2797068 JQXLCQQTGZVJFF-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(C)=O 2889585 RJXBGMINYAGFAR-UHFFFAOYSA-N 303.383 3.777 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cc(C)ccc1C 3178054 NYBRXMUBMAIVOG-OAHLLOKOSA-N 304.434 3.575 0 40 DHAB C[C@H](n1c(=O)[nH]c2ccccc2c1=N)C12CC3CC(CC(C3)C1)C2 3851019 FDMMXMMAAXJAPP-PGBBXINNSA-N 323.440 3.586 0 40 DHAB O=c1nc(SCc2cccc3ccccc23)nc2ccccn12 4499781 LDNFOZQOPPKAPD-UHFFFAOYSA-N 319.389 3.535 0 40 DHAB CCOc1ccc(-n2c(S)nnc2-c2ccc(C)cc2)cc1 4550741 WKMDAMDVSNNYQM-UHFFFAOYSA-N 311.410 3.930 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)c1ccc(C(F)(F)F)cc1 6582980 MMAHLULKKFHFPJ-UHFFFAOYSA-N 313.304 3.687 0 40 DHAB CCCCCOc1ccc(OCC(=O)NCc2ccco2)cc1 7261426 IRCMGKVGPWBSMI-UHFFFAOYSA-N 317.385 3.544 0 40 DHAB CCCn1nnnc1NCc1ccc(-c2ccc(Cl)cc2)o1 7263423 RTKCJDZPUSEXRZ-UHFFFAOYSA-N 317.780 3.609 0 40 DHAB C[C@@H](Nc1nnnn1-c1ccccc1)c1cccc2ccccc12 7980840 MKDDDDMAOSKQAX-CQSZACIVSA-N 315.380 3.989 0 40 DHAB C[C@@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1 7989493 AEFBRSWNIDKOCX-SNVBAGLBSA-N 300.358 3.926 0 40 DHAB O=C(Nc1ccccc1)Nc1nnc(CCc2ccccc2)s1 8739566 DAUMHTHXSSZMIJ-UHFFFAOYSA-N 324.409 3.967 0 40 DHAB Cc1ccc2nc(CSc3nc4ccccc4n3C)cn2c1 8746334 OVHXQKOVRRZXPP-UHFFFAOYSA-N 308.410 3.822 0 40 DHAB O=Cc1nc2ccccc2n1CCOc1ccccc1Cl 11568050 UTTDPENGOICPMG-UHFFFAOYSA-N 300.745 3.581 0 40 DHAB O=C(NCCc1ccccn1)c1ccc(Oc2ccccc2)cc1 12634422 BEHUBKCEPUVDHC-UHFFFAOYSA-N 318.376 3.846 0 40 DHAB O=S(=O)(NCc1ccsc1)c1cc(Cl)ccc1Cl 13724832 RNYNOPURJVLOQQ-UHFFFAOYSA-N 322.238 3.533 0 40 DHAB COc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cn1 14047491 BXNAVSVSIFNBQE-UHFFFAOYSA-N 304.349 3.594 0 40 DHAB O=C(O)C[C@@H](c1cccc(Br)c1)c1nccs1 19784523 RSXDQMUSOYKRKF-JTQLQIEISA-N 312.188 3.512 0 40 DHAB Cc1nc(-c2cccs2)c(CCC(=O)NCC(C)C)s1 19819663 DRDBXAZYCWXWJS-UHFFFAOYSA-N 308.472 3.885 0 40 DHAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccccc1 20137341 AWHLAUUOFXNGFG-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 20456546 CYSQIKOQOBQLKT-IRXDYDNUSA-N 311.425 3.900 0 40 DHAB Clc1snnc1CSc1nnc(-c2ccccc2)o1 21674568 PZGWHARVUQKWQQ-UHFFFAOYSA-N 310.791 3.534 0 40 DHAB CC(C)(C)c1n[nH]c(SCc2cn3cc(Cl)ccc3n2)n1 22748641 SRLFYBGZLIVUTF-UHFFFAOYSA-N 321.837 3.696 0 40 DHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)[C@H]1C[C@@H]1c1ccccc1 28241536 NQSXAYZPFURSDY-CVEARBPZSA-N 303.365 3.819 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCCc3ccccc32)c1C 30895201 QSOMDWDUVQBHCE-INIZCTEOSA-N 324.424 3.684 0 40 DHAB CC[C@H](C)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 33548375 ZJMYLQZBOPBOTI-AWEZNQCLSA-N 320.392 3.704 0 40 DHAB Cc1cc(N2CCN(c3ccccc3O)CC2)nc2ccccc12 40160679 RHBHNCGPNSFKPX-UHFFFAOYSA-N 319.408 3.575 0 40 DHAB Cc1nc(NC(=O)c2csc(NCC(C)C)n2)sc1C 40283952 JBMQAXCUROTOOH-UHFFFAOYSA-N 310.448 3.537 0 40 DHAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@@H](c2cccnc2)C1 40287806 QUFUEXHPMMBYQU-CQSZACIVSA-N 308.316 3.530 0 40 DHAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@H](c2cccnc2)C1 40287807 QUFUEXHPMMBYQU-AWEZNQCLSA-N 308.316 3.530 0 40 DHAB Cc1ccc(OCCn2c(CO)nc3cc(C)c(C)cc32)cc1 40308968 LBJTXMPTAHTILO-UHFFFAOYSA-N 310.397 3.533 0 40 DHAB CCCCc1nc(-n2cccc2)sc1C(=O)N1CCCC1 49545553 RUUHLOHXUBKOLN-UHFFFAOYSA-N 303.431 3.512 0 40 DHAB Cc1cc(NC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)no1 53248552 ZQOUBUHEOYAXSB-SECBINFHSA-N 313.279 3.885 0 40 DHAB Cc1cc(CNc2cccc(C(=O)N(C)c3ccccc3)c2)no1 55880577 JREWDXTZLFLYBC-UHFFFAOYSA-N 321.380 3.872 0 40 DHAB O=c1ccc(-c2ccccc2)nn1CN1CCC[C@H]1C1CCCC1 57091316 BDVRRMQFLRJPEA-IBGZPJMESA-N 323.440 3.522 0 40 DHAB O=C(Nc1nccs1)N1CCn2cccc2[C@H]1c1ccccc1 58047891 BJOPQHHNWWZWPU-OAHLLOKOSA-N 324.409 3.582 0 40 DHAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C)cc1Cl 58160610 VZRHZZJQPVOEMN-MRXNPFEDSA-N 302.805 3.890 0 40 DHAB O=C(NC1CCCCCC1)c1csc(-c2ccccn2)n1 58412969 MKNHGBUTODHMLO-UHFFFAOYSA-N 301.415 3.658 0 40 DHAB C[C@@H](Nc1ccc(NC(=O)c2cnsn2)cc1)c1ccccc1 58420587 SJHIGULTAVNHQS-GFCCVEGCSA-N 324.409 3.964 0 40 DHAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccccc1 66803557 HIMQAXKJDCPJIV-UHFFFAOYSA-N 318.380 3.534 0 40 DHAB Cc1nc2ccc(NC(=O)NCc3scnc3C)cc2s1 69570446 WJWCCFCCGXXAHV-UHFFFAOYSA-N 318.427 3.691 0 40 DHAB Cc1nnc([C@@H](C)Sc2nnc(-c3sccc3C)o2)o1 69590515 KKEDVAOYVIFUKU-SSDOTTSWSA-N 308.388 3.651 0 40 DHAB Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc2ccnn12 72165209 ULHGDSCIFQOYIC-QGZVFWFLSA-N 305.381 3.620 0 40 DHAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cccc(Cl)c1 72286768 HZSZPAZNTBIMKZ-NRFANRHFSA-N 321.829 3.779 0 40 DHAB CCn1c(C)cc(CN(C)Cc2cc3ccccc3[nH]c2=O)c1C 72310615 XIJKTUJVQCQUFD-UHFFFAOYSA-N 323.440 3.598 0 40 DHAB Cc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)c(C)c1 72427498 RQYRIEVAPQSZGK-UHFFFAOYSA-N 307.353 3.651 0 40 DHAB C[C@H](NC(=O)[C@@H]1CSCCS1)c1ccc(F)c(Cl)c1 75572781 NINDWQKLVGJXTF-UFBFGSQYSA-N 319.854 3.505 0 40 DHAB Cn1nc(C(=O)Nc2cccc(Cl)c2F)c2ccccc21 90610282 WSUXGFZKZFCZIB-UHFFFAOYSA-N 303.724 3.618 0 40 DHAB Cc1cc(-c2noc([C@@H](C)N)n2)cc(C)c1OCc1ccccc1 95095358 RBQJKJNFAKBWEA-CQSZACIVSA-N 323.396 3.952 0 40 DHAB C[C@@H](c1ccco1)N(C(=O)Nc1cnc(C2CC2)nc1)C1CC1 95409907 GVKMUFVYWBXABO-NSHDSACASA-N 312.373 3.705 0 40 DHAB C[C@@H]1C[C@@H](NCCCc2cnn(C)c2)c2ccccc2S1 95421668 GENVDDMUZVGLPL-CZUORRHYSA-N 301.459 3.568 0 40 DHAB COc1cccc(C(=O)c2ccc(Br)cc2C)c1 95917150 KRBCABSTOWXCNZ-UHFFFAOYSA-N 305.171 3.997 0 40 DHAB Cc1nnc(CCCSc2ccccc2Br)o1 95971872 MIEYVYLOVFFESW-UHFFFAOYSA-N 313.220 3.865 0 40 DHAB c1ccc(CNc2ncnc3c2ncn3C2CCCCC2)cc1 96134220 JIZAMXJIFSFYKO-UHFFFAOYSA-N 307.401 3.944 0 40 DHAB C[C@@](Cl)(C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96518307 QYBYTKNVYHBVEQ-INIZCTEOSA-N 322.813 3.536 0 40 DHAB Cc1ccccc1C1=N/C(=C/C2=Cc3ccccc3OC2)C(=O)O1 96935663 PCPKABOBZYTKES-GZTJUZNOSA-N 317.344 3.658 0 40 DHAB O=C(Nc1ccc(Br)cc1)C1[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 100059578 DDMPLNKPXYXIIP-PNZRWIHMSA-N 306.203 3.680 0 40 DHAB CCCOCc1cc(C(=O)N2CCC(C)CC2)ccc1OCC 224708717 LTOCFRIELSIZJP-UHFFFAOYSA-N 319.445 3.884 0 40 DHAB COc1ccc(-c2nc(-c3ccc(N)cc3Cl)no2)cc1 225176017 WZEPFFCDCBBZNA-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB Cc1nc(NC(=O)c2cccnc2-c2cncs2)sc1C 257304727 SMXYKEXWWSQESL-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB CNc1ccc(Cl)c(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1 516557629 XGYRENNPQGZPQZ-ZDUSSCGKSA-N 322.836 3.603 0 40 DHAB Cc1ccc2c(c1)CN(C[C@@H](C)CC1CCOCC1)CCO2 585084483 FKEJOZIOKSWKQL-INIZCTEOSA-N 303.446 3.642 0 40 DHAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(CC)n1 585265982 WWPKSRNSOQMPJL-UHFFFAOYSA-N 315.369 3.807 0 40 DHAB CC(C)CCSc1nc2ccccc2n1C(=O)CCC(=O)O 502061 VCBBGLMTOCPWGT-UHFFFAOYSA-N 320.414 3.680 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 516948 BTYXCFBPMVESNR-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB COc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 570269 MIGLASJGAIKZQD-UHFFFAOYSA-N 312.369 3.542 0 40 DHAB CC(C)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1321103 FMKJWIPSBBVSJB-LLVKDONJSA-N 319.474 3.660 0 40 DHAB O=C(NCc1ccccc1)[C@@]1(c2ccccc2)CC1(Cl)Cl 2205192 QUQBYQPWHGFLPN-INIZCTEOSA-N 320.219 3.818 0 40 DHAB CN(C)c1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 2635630 COBXNUDMLASURS-UHFFFAOYSA-N 322.330 3.701 0 40 DHAB CCCC[C@@H](CC)CNC(=O)c1cc2ccccc2oc1=O 2773035 SKJOBAINQQNMIQ-CYBMUJFWSA-N 301.386 3.739 0 40 DHAB CCN(CC)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 3456088 XHVXGUCMVPNVHU-UHFFFAOYSA-N 300.377 3.602 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1 3514989 DIBJGQMFFKLELZ-AWEZNQCLSA-N 317.816 3.856 0 40 DHAB C[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1Cl 3583570 AZMWBBNXIKPCML-JTQLQIEISA-N 301.217 3.806 0 40 DHAB CCc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1 3908310 PFIDEEWZNJKQJT-UHFFFAOYSA-N 308.337 3.862 0 40 DHAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OC 4681067 CVCTVLSXNYIACZ-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB O=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 4739262 KWWYRRZLFANIDH-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB CC(=O)OC1=CCc2ccc3c4c(ccc1c24)C=C[C@H]3OC(C)=O 5234590 WDIYXXIAMYDYHZ-QGZVFWFLSA-N 320.344 3.931 0 40 DHAB CCCCOCCOCCOCCN(CCCC)CCCC 5419528 BEUAVZBGGGOFRZ-UHFFFAOYSA-N 317.514 3.739 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)c(OC)c1 5611249 PQANWBVQJGCRAH-DHZHZOJOSA-N 323.392 3.844 0 40 DHAB O=C(NC/C=C/Br)Nc1cccc2c1CCCC2 6513257 JFWMDNPYPQJQSO-RUDMXATFSA-N 309.207 3.596 0 40 DHAB COC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2)cc1 6790370 ZZCRBSUGHQIMAZ-CYBMUJFWSA-N 316.426 3.800 0 40 DHAB CCCc1n[nH]c(=S)n1NCc1c(Cl)cccc1Cl 7601298 GJJZRFWXWGNPSI-UHFFFAOYSA-N 317.245 3.944 0 40 DHAB CN(CC(=O)Nc1ccc(F)cc1Cl)Cc1ccsc1 7926872 YAEFVPOBJCSXEN-UHFFFAOYSA-N 312.797 3.611 0 40 DHAB Cc1sc2ncnc(NCC3(N(C)C)CCCCC3)c2c1C 8063217 BSNYZWFXTFQBAB-UHFFFAOYSA-N 318.490 3.985 0 40 DHAB CCC[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 8519946 WSJMPHWACUJIGO-INIZCTEOSA-N 307.390 3.645 0 40 DHAB Cc1csc([C@](O)(c2c[nH]c3ccccc23)C(F)(F)F)n1 8941349 UHSKOYIFAUHLAI-CYBMUJFWSA-N 312.316 3.731 0 40 DHAB O=C(Nc1nnc(CSc2ccccc2)s1)c1ccco1 9355786 ZNPBHDHTQYAMGN-UHFFFAOYSA-N 317.395 3.676 0 40 DHAB c1ccc(CN2CCCC2)c(CNc2ncnc3sccc23)c1 9609035 LHSDIKAGPLOEFV-UHFFFAOYSA-N 324.453 3.899 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1 10286885 SHGBZTRDJQUDKE-LBPRGKRZSA-N 310.319 3.511 0 40 DHAB CCC[C@@H]1c2cccn2CCN1C(=O)c1nc2ccc(C)cc2[nH]1 12147486 YGGBUMQBDUGJPL-QGZVFWFLSA-N 322.412 3.670 0 40 DHAB CCC(CC)NC(=O)CCCSc1nc2ccccc2[nH]1 12508086 XWUSVPOLQGZTBY-UHFFFAOYSA-N 305.447 3.740 0 40 DHAB C[C@H](NC(=O)N[C@H](C)c1cccc(Cl)c1)c1ccccn1 12545858 OBNRBYRQHFGOAV-NEPJUHHUSA-N 303.793 3.856 0 40 DHAB COc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 13672071 AZHBQWZNHCSIBV-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB CCN(CC)Cc1ccccc1CNC(=O)Nc1ccccc1 14139464 RGROMWBNIPFBBL-UHFFFAOYSA-N 311.429 3.850 0 40 DHAB O=C(N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccccn1 19373843 ALPSQXVJYVYTNK-NBMJBFSESA-N 306.409 3.784 0 40 DHAB COc1ccc(CO)cc1OCc1ccc(Br)cc1 20032359 NFUNARVUSXHJRC-UHFFFAOYSA-N 323.186 3.529 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCc2ccccc2C1 25798417 MCLUUZRIROTJCL-PBHICJAKSA-N 306.409 3.844 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CSc1c(C)n[nH]c1C 27756577 MNTKKIUEBDHSFG-UHFFFAOYSA-N 309.822 3.719 0 40 DHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)[C@@H]1C[C@H]1c1ccccc1 28241541 NQSXAYZPFURSDY-JKSUJKDBSA-N 303.365 3.819 0 40 DHAB O=C(c1cc2c(nc3sccn32)s1)N1CCCCCC1 28650219 TVEARLQKPQEJNO-UHFFFAOYSA-N 305.428 3.627 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)c1cccs1 31809419 UWTYSGAUXJQOMT-JTQLQIEISA-N 312.394 3.598 0 40 DHAB CCOC(=O)COc1ccc(/C=C\C(=O)c2ccccc2)cc1 33378693 ZFKQIZLAIOTOMB-RAXLEYEMSA-N 310.349 3.525 0 40 DHAB O=C(Nc1ccccc1NC(=O)C1CCC1)c1ccccc1F 36709584 QRHZPEAUVHXELM-UHFFFAOYSA-N 312.344 3.817 0 40 DHAB O=C(NC[C@H]1CCCOC1)C1(c2cccc(Cl)c2)CCCC1 40156939 UUKJYVBJRWGNMR-CQSZACIVSA-N 321.848 3.695 0 40 DHAB Cc1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 44140376 HMTMGBVSHNOJNC-HOTGVXAUSA-N 319.518 3.649 0 40 DHAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H]1c1ccsc1 44940743 NYJBDVQJBDJCIH-INIZCTEOSA-N 324.405 3.567 0 40 DHAB O=C(C[C@@H]1CCCO1)N1CCC[C@H]1c1nc2ccccc2s1 47072115 FJQOJYVWDMBMRT-JSGCOSHPSA-N 316.426 3.529 0 40 DHAB Cc1noc(C)c1[C@H]1CC(O)=Nc2c1cnn2Cc1ccccc1 49546604 IZCGXAARCAUZKG-AWEZNQCLSA-N 322.368 3.660 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)C(F)(F)c1ccccc1 50587885 XILCLEVLEDYWRC-UHFFFAOYSA-N 307.344 3.811 0 40 DHAB O=C(Nc1ccccc1-n1ccnc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 52926408 QNJHHPGKNQKJFO-HZPDHXFCSA-N 321.355 3.754 0 40 DHAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C)cc1 58061127 VGJMUWNJMBXZQJ-XJKSGUPXSA-N 305.418 3.507 0 40 DHAB C[C@@H](Sc1nncn1Cc1ccco1)c1ccc(F)cc1 58161961 YRCJGGGXOCOICQ-LLVKDONJSA-N 303.362 3.912 0 40 DHAB CCC(C)(CC)NC(=O)CCCc1nnc(-c2ccccc2)o1 69743412 JHMOFIPLNQBAJY-UHFFFAOYSA-N 315.417 3.754 0 40 DHAB O=C(O)C1=NN(c2ccccc2Cl)[C@H](c2ccccc2)C1 71978987 FSJSZEPSTIPBOS-HNNXBMFYSA-N 300.745 3.732 0 40 DHAB Cc1csc(Nc2nccnc2[C@@H]2CCCN2C(C)C)n1 72384615 RIWXDILDDJQGIX-LBPRGKRZSA-N 303.435 3.530 0 40 DHAB c1ccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 72390019 MJZWAHGUYMPAIA-INIZCTEOSA-N 320.396 3.511 0 40 DHAB C[C@H](NCc1cccc(C(N)=O)c1)c1ccc2c(c1)CCCC2 78967147 BDFIRCYYOZZVFO-AWEZNQCLSA-N 308.425 3.515 0 40 DHAB CCOc1cc(-c2nc(-c3ccccc3Cl)n[nH]2)ccc1O 85384638 BHDBABAVSXQBLW-UHFFFAOYSA-N 315.760 3.896 0 40 DHAB CCCNC(=O)Nc1cccc(OCc2nc(C)cs2)c1 88520142 VBOMBNZVIMJSHP-UHFFFAOYSA-N 305.403 3.562 0 40 DHAB Cc1cnc(NC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)s1 89702428 RSKXIPISYPAGHD-BXKDBHETSA-N 323.443 3.507 0 40 DHAB CCc1nc(CN(C)C(=O)[C@@H]2CSc3ccccc32)cs1 95398464 DXYAAXDCESWOGU-CYBMUJFWSA-N 318.467 3.553 0 40 DHAB CCn1cnnc1-c1cccc(NCc2ccc(COC)cc2)c1 95428708 KRAMCPDMEOAQPM-UHFFFAOYSA-N 322.412 3.724 0 40 DHAB O=C(Nc1cccc(F)c1)N1CCC(Cc2cccnc2)CC1 95457421 LRSSKXIMVATAGA-UHFFFAOYSA-N 313.376 3.707 0 40 DHAB Cc1ccsc1COC(=O)c1ccc(NC(=O)C2CC2)cc1 95465818 FTGUBCWUDJXIKX-UHFFFAOYSA-N 315.394 3.762 0 40 DHAB Cc1nnc(-c2cccc(C(=O)OCCc3cccs3)c2)o1 96467288 NNRYGJIAIVOERZ-UHFFFAOYSA-N 314.366 3.506 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccccc2F)C[C@H](c2ccsc2)O1 96469329 CZFQUCIKKUKQBR-XHDPSFHLSA-N 320.389 3.881 0 40 DHAB Cc1cnc([C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2)C2CC2)s1 106931725 JZKSVSIWHJJTRL-HRCADAONSA-N 312.438 3.823 0 40 DHAB C[C@H]1CC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2C1 199803031 CXKURIFTPWCFKS-SECBINFHSA-N 310.275 3.536 0 40 DHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 224355914 OEFRZFSHOGCVHS-MRXNPFEDSA-N 323.436 3.958 0 40 DHAB Cc1cccnc1NC(=S)NCc1cccc(OC(C)C)c1 225525067 SRUYRWYTBAKZFH-UHFFFAOYSA-N 315.442 3.664 0 40 DHAB Cc1ccnc(NC(=S)NCc2cccc(OC(C)C)c2)c1 225525205 NWBHOKUJXVFCTB-UHFFFAOYSA-N 315.442 3.664 0 40 DHAB Cc1c(C(=O)N2CCC[C@H](c3cnccn3)C2)oc2ccccc12 257212239 CCMKAHPZTVJEIL-AWEZNQCLSA-N 321.380 3.551 0 40 DHAB O=C(CCc1ccccc1F)NCc1ccc(-c2ccco2)o1 618255176 MZQWFRXLBSWKEM-UHFFFAOYSA-N 313.328 3.928 0 40 DHAB Cc1cc(N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)ncn1 684838355 KILKRFNOBLJOIZ-KRWDZBQOSA-N 319.412 3.907 0 40 DHAB Fc1cccc(Cl)c1CSc1nnnn1-c1ccccc1 67008 ZAFBCXBJOMVJBE-UHFFFAOYSA-N 320.780 3.747 0 40 DHAB CC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 148010 WATADXPPVHNERP-UHFFFAOYSA-N 324.332 3.862 0 40 DHAB O=C(Nc1ccc2nsnc2c1)N1CC[C@H](c2ccccc2)C1 313079 YIMFDKQYURRVNN-ZDUSSCGKSA-N 324.409 3.713 0 40 DHAB COc1ccc(-c2nn(C(=O)c3ccccc3)c(=S)o2)cc1 411237 HHKSZYYGQQCXOF-UHFFFAOYSA-N 312.350 3.570 0 40 DHAB CC[C@H](C)C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364328 WFTCEDRIOGXYRD-RYUDHWBXSA-N 319.430 3.550 0 40 DHAB Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3C(C)C)cc1 1370253 HIUKSAQLQLHGAY-QZTJIDSGSA-N 315.461 3.910 0 40 DHAB O=C1[C@H](O)[C@H](c2ccccc2)c2ccccc2N1c1ccccc1 1564175 IKSHEFTYHQNATA-WOJBJXKFSA-N 315.372 3.858 0 40 DHAB CCOc1ccc(CC(=O)NCc2ccccc2)cc1Cl 2750055 KVJYKSRSBXPXBJ-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB COc1ccc(OCCSc2ncnc3sccc23)cc1 3432285 XTWVWBMBQRGCDP-UHFFFAOYSA-N 318.423 3.871 0 40 DHAB O=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 4201516 INFXMSYFAVAVQJ-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB O=c1cc(NCCc2c[nH]c3ccccc23)c2ccccc2o1 4487873 BADRBTSBHPOXOG-UHFFFAOYSA-N 304.349 3.929 0 40 DHAB O=C(CCCOc1ccccc1)Nc1cc(Cl)ccc1O 4696104 GFUBADKQRQQRDT-UHFFFAOYSA-N 305.761 3.843 0 40 DHAB C1CSC2(S1)SCCSC21SCCS1 4963751 OEBWZXCQINFUGI-UHFFFAOYSA-N 300.586 3.734 0 40 DHAB Cc1ccc(-c2c(N)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 5031017 LMDOCKRRSQDPBG-UHFFFAOYSA-N 319.408 3.715 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1F)c1ccccc1Cl 5105194 BTLTUBSGXQTQLF-LLVKDONJSA-N 307.752 3.735 0 40 DHAB CSc1ncc(Cl)c(C(=O)Oc2cccc(C)c2C)n1 6810433 FNMAGCNJGDYRCI-UHFFFAOYSA-N 308.790 3.688 0 40 DHAB O=C1CC2(CCCCC2)C(=O)N1Cc1nc2ccccc2s1 7046783 WWBBCSFUMNTBKS-UHFFFAOYSA-N 314.410 3.506 0 40 DHAB Cc1nc2ccc(NC(=O)Cc3noc4ccccc34)cc2s1 7808010 JGWCJQGHXROPIE-UHFFFAOYSA-N 323.377 3.927 0 40 DHAB C[C@H](O)CNc1ncnc2scc(-c3ccc(Cl)cc3)c12 8177624 DGIIGHRWCNIMCT-VIFPVBQESA-N 319.817 3.804 0 40 DHAB CCSc1nnc(NC(=O)c2cc(C)c(CC)s2)s1 8709197 UJQSOJUORYDURE-UHFFFAOYSA-N 313.473 3.835 0 40 DHAB CCOC(=O)Cc1c(-c2ccccc2)c2cc(C)ccc2[nH]c1=O 9066022 YRUVXMLLMVJSNV-UHFFFAOYSA-N 321.376 3.609 0 40 DHAB COc1ccc2nc(NC(=O)c3ccccc3F)sc2c1 9090143 SQMVHBDARTZKJX-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc(C(C)C)n[nH]2)c1 9451587 NWFNTRHHCLVVGD-LBPRGKRZSA-N 303.431 3.908 0 40 DHAB COC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 11907722 GEKUDNXPZFTOES-UHFFFAOYSA-N 305.337 3.674 0 40 DHAB COc1ccc(OC)c2c(C)cc(SCc3ccon3)nc12 12446558 FSVGXSWNOCBINF-UHFFFAOYSA-N 316.382 3.841 0 40 DHAB O=C(NCc1ccccc1OC(F)F)c1ccccc1Cl 12825587 GEQSDBLJNKMDFX-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB Cc1ccsc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 12984643 DGJBQUUVQSFUQT-CQSZACIVSA-N 318.442 3.607 0 40 DHAB Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1-n1cccc1 14048514 SGQITSZBLNKYSG-UHFFFAOYSA-N 316.364 3.914 0 40 DHAB CCc1ccccc1NC(=O)/C=C/c1cc(OC)cc(OC)c1 15604629 WLAKJSDEDFSXSP-MDZDMXLPSA-N 311.381 3.918 0 40 DHAB COc1ccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)cc1 15841931 LTUVUYXNULFTPO-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB CC(C)(C)c1ccc2c(c1)O[C@@](N)(C(Cl)(Cl)Cl)O2 19314147 MRCKVZPVLJSTCC-GFCCVEGCSA-N 310.608 3.738 0 40 DHAB c1csc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 19343386 PMLQNIZCWSWBAX-LLVKDONJSA-N 317.439 3.849 0 40 DHAB CCc1cccc2c1Sc1ccccc1C[C@@H]2N1CCNCC1 19802446 VRWXAWXVRQECLB-SFHVURJKSA-N 324.493 3.903 0 40 DHAB COc1ccc(CSCC(=O)N(C)C2CCCCC2)cc1 30757005 DNGPUVAWBZGRGD-UHFFFAOYSA-N 307.459 3.720 0 40 DHAB CCn1cc(CNC(=O)Nc2cccc(Cl)c2Cl)cn1 32611441 YNUKBNMKBIUPHT-UHFFFAOYSA-N 313.188 3.532 0 40 DHAB CSc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1 32915819 PLAFVDGTPPBKLH-UHFFFAOYSA-N 319.430 3.876 0 40 DHAB Cc1cccc(-c2nccc(Oc3ccc(C(=O)O)cc3)n2)c1 32918475 NJYUWBRENJJZJB-UHFFFAOYSA-N 306.321 3.943 0 40 DHAB COc1ccc2[nH]c([C@H]3CCN(Cc4ccccc4)C3)nc2c1 35446733 BTGCGONYSZJCQH-HNNXBMFYSA-N 307.397 3.561 0 40 DHAB biogenic,in-vitro Cc1cccc(N[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 36394168 SLYYXQPVZUDZFL-HNAYVOBHSA-N 308.425 3.989 0 40 DHAB COCc1ccccc1NC(=O)c1ccc(Br)cc1 37503673 LZIVHKAHOPYTAU-UHFFFAOYSA-N 320.186 3.848 0 40 DHAB COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(C)cc1C 38756856 XONSQWBUGFSYTI-CQSZACIVSA-N 313.397 3.812 0 40 DHAB CC(C)c1nnc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 40141597 QOCSLRVETGCXKW-DTWKUNHWSA-N 321.368 3.969 0 40 DHAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 40512967 IGBRXLZNYIBUJA-CYBMUJFWSA-N 314.385 3.654 0 40 DHAB COc1cc(C)c(N[C@H](C)c2nc(C(C)C)no2)cc1OC 44585545 PPASAXBFTSZFBR-LLVKDONJSA-N 305.378 3.692 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)[C@@H](C)n3cccn3)cn2)cc1 44810220 QVVACUCZJNOPOC-CQSZACIVSA-N 322.368 3.579 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCc3ccccc32)on1 45305644 KHEWNLPXPMDSOR-HOTGVXAUSA-N 311.385 3.517 0 40 DHAB CCc1ccc(C(=O)NCc2coc(-c3cccs3)n2)s1 54121324 ZLSXKQUODFINLR-UHFFFAOYSA-N 318.423 3.957 0 40 DHAB c1ccc(Cn2cc(Nc3cnc4ccccc4n3)cn2)cc1 58417696 ORDHQYKQWQUORA-UHFFFAOYSA-N 301.353 3.618 0 40 DHAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc(C)c3C)CC2=O)c1 59227302 IUJBJBYTXYDQND-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CCCCc1nc(CN2CCC[C@@H]2c2cnn(C)c2)cs1 69819532 AUDUFYXPXMBEEJ-OAHLLOKOSA-N 304.463 3.556 0 40 DHAB CC(C)c1cccc(NC(=S)Nc2cccc(C(N)=O)c2)c1 71326242 NVJZZDZLDVBFBF-UHFFFAOYSA-N 313.426 3.718 0 40 DHAB O=C(CSCc1csc(-c2cccs2)n1)NCC1CC1 71818622 RXUNLEIDEABYGD-UHFFFAOYSA-N 324.496 3.631 0 40 DHAB COc1ccc(OC)c(-c2cc(-c3ccc(C)cc3)nc(N)n2)c1 71977631 DUGXOUNSFJBQSG-UHFFFAOYSA-N 321.380 3.718 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ccc(C2=NCCC2)cn1 72214839 MXGRDMOFOQBGMH-UHFFFAOYSA-N 303.406 3.814 0 40 DHAB Cc1ccc(-c2cnc(CCC(=O)Nc3cncc(C)c3)o2)cc1 79582028 AVVSZBZTIFMDQO-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1c1ccsc1 84968439 IOIVAENNOAAGFC-GXTWGEPZSA-N 318.467 3.987 0 40 DHAB C[C@H](NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccnc1 92741271 IOZJKFFQOXQYPD-UONOGXRCSA-N 317.383 3.537 0 40 DHAB CCOc1ncccc1CN[C@@H](C)c1ccc2ccccc2n1 95420103 MQEHOVMBSCTPSZ-AWEZNQCLSA-N 307.397 3.879 0 40 DHAB CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[C@H](SC)C1 95423395 QTNIENXVWLGHLX-BPUTZDHNSA-N 320.502 3.840 0 40 DHAB CCOc1ccc(CCC2CCN(Cc3ncc[nH]3)CC2)cc1 95956463 ZRDRGPWAJHABPR-UHFFFAOYSA-N 313.445 3.653 0 40 DHAB CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(CN)cc1 95971097 HTKUHHAOLKNZTE-UHFFFAOYSA-N 308.425 3.646 0 40 DHAB CO[C@@H]1CCN(Cc2scnc2C)C[C@@H]1Cc1ccccc1 96110178 MFPNBUVLKJQQBL-DLBZAZTESA-N 316.470 3.531 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NCc2sc(C)nc2C)c1 96434545 XYHUZERDWPGQNV-LLVKDONJSA-N 319.430 3.789 0 40 DHAB O=C(Cn1cnc(-c2ccccc2)n1)OC1CCCCCCC1 97230147 YBDGEYRFVATDSA-UHFFFAOYSA-N 313.401 3.601 0 40 DHAB CCN(CC)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100992109 NSXBPGYYUUAXRM-HGWMRPEMSA-N 314.267 3.589 0 40 DHAB S=C(N[C@H]1CCSc2ccccc21)N[C@H]1C[C@H]2CC[C@H]1C2 102359413 WPVCUNQECNSURB-JURCDPSOSA-N 318.511 3.876 0 40 DHAB C[C@H](C(=O)NCc1nc(-c2ccncc2)cs1)c1ccccc1 182601966 APQXWVLXOJAZFS-ZDUSSCGKSA-N 323.421 3.625 0 40 DHAB O=C(c1ccsc1)N(CCc1cccs1)C1CCOCC1 206676658 BHHZAYHLBIBADI-UHFFFAOYSA-N 321.467 3.674 0 40 DHAB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(OC)c(C)c1 223306774 KLHJCAWOKMMKFQ-MRXNPFEDSA-N 313.397 3.893 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C)c1 224606858 VKLTVFBOVKJDEK-IRXDYDNUSA-N 311.425 3.991 0 40 DHAB COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1N 225176609 VPFFASGBZWOITL-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB Cc1cnc(NC(=O)c2ccc(Oc3nccs3)cc2)s1 225636980 YUZRZBZDYUWEMX-UHFFFAOYSA-N 317.395 3.953 0 40 DHAB COC(=O)C(C)(C)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260621960 QBAUUSBOKPIIFT-GFCCVEGCSA-N 305.418 3.739 0 40 DHAB CN(CCc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)CCN2 565653354 DNVWHRKNANWURO-UHFFFAOYSA-N 314.816 3.623 0 40 DHAB CCc1c(C)nc2ccc(OC)cc2c1SCCC(=O)O 36346 ZXROLNXCQXEODS-UHFFFAOYSA-N 305.399 3.681 0 40 DHAB CC(C)C(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 241429 RDJMBELHKYQSHZ-NSHDSACASA-N 309.624 3.567 0 40 DHAB COc1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 579655 IUQIDDRTWXBWEG-NSHDSACASA-N 305.761 3.755 0 40 DHAB CCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccccc1-2 2092826 FPGOBUMPYDFKDZ-ZDUSSCGKSA-N 316.430 3.971 0 40 DHAB O=C(NCc1ccccc1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 3059186 ULUJOCPTYZTMRJ-LSDHHAIUSA-N 320.219 3.890 0 40 DHAB Cc1ccc(Cl)c(NC(=S)NC(=O)C2CC2)c1Cl 3257457 YGUJFJCKLOOVAN-UHFFFAOYSA-N 303.214 3.525 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2SC)cc1OC 3325131 WLEOZQDBEKGXPF-UHFFFAOYSA-N 303.383 3.678 0 40 DHAB O=C(OCc1cc(Cl)ccc1OC(F)F)c1cccnc1 3363124 ZJQIEZUPYBTCBI-UHFFFAOYSA-N 313.687 3.693 0 40 DHAB CCOc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 3457543 JDZJAVVTUAJTOT-UHFFFAOYSA-N 323.751 3.895 0 40 DHAB O=C(CCC1CCCCC1)Nc1ccc(N2CCOCC2)cc1 4902128 JJYDTAYBQHDLQA-UHFFFAOYSA-N 316.445 3.822 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1cc(Cl)cc(Cl)c1 5190879 RPYMNJJREGREOF-UHFFFAOYSA-N 320.179 3.982 0 40 DHAB COc1ccc(C(=O)COC(=O)c2cc(C)oc2C)cc1Cl 5316872 DXJIUZVPWJJLHU-UHFFFAOYSA-N 322.744 3.598 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)c2ccc3c(c2)C[C@H](C)O3)c1 5358979 RMSOACOAAUKODE-LVDDQXARSA-N 324.376 3.923 0 40 DHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1 6316287 YRHHAYWCJOEMOD-UHFFFAOYSA-N 323.801 3.652 0 40 DHAB Cc1cc(C)cc(C(=O)OCc2ccc(-n3cccn3)cc2)c1 7254308 HYJAJWHCXPKGPZ-UHFFFAOYSA-N 306.365 3.846 0 40 DHAB Cc1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1 7443272 WWZRERIBVLLQEW-UHFFFAOYSA-N 302.337 3.916 0 40 DHAB CC(=O)c1ccccc1NCC(=O)Nc1ccccc1Cl 7976220 JUCNMAMHFZLSHB-UHFFFAOYSA-N 302.761 3.593 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 8051291 XSYASSGJDVAIGT-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB CCc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1 8086630 ZDXXUTQPFAZUNS-UHFFFAOYSA-N 300.358 3.910 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2cccs2)c(C)c1 8746129 UTSXCLHMMUATID-AWEZNQCLSA-N 302.443 3.996 0 40 DHAB Cc1cc(NC(=O)CNc2ccccc2-c2cccs2)no1 9117737 LWRVUQJDJJENTH-UHFFFAOYSA-N 313.382 3.762 0 40 DHAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1c1ccccc1 9895091 JFLIXUQUNXEATK-QGZVFWFLSA-N 319.360 3.770 0 40 DHAB O=C(CCOc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 9900204 LMWAFOLCPYGVBX-UHFFFAOYSA-N 320.392 3.522 0 40 DHAB O=C(c1ccc2ncsc2c1)N1CCC[C@H](C(F)(F)F)C1 10286794 BQZCVTKNFOUIBT-JTQLQIEISA-N 314.332 3.711 0 40 DHAB COc1ccc(CNC(=O)c2ccc(C)c(-n3cccc3)c2)cc1 11329646 ZTUXWXLOSTZDNR-UHFFFAOYSA-N 320.392 3.724 0 40 DHAB COc1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1 12236400 LSBHUEHEOSZKOE-GOSISDBHSA-N 307.397 3.909 0 40 DHAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccccn3)sc2n1 12521666 LCJODROYVFHKEU-UHFFFAOYSA-N 312.398 3.518 0 40 DHAB CCCCC[C@@H](C)NC(=O)CSc1ncc2ccccn12 12550062 ZLCHGBHBKYZISO-CYBMUJFWSA-N 305.447 3.511 0 40 DHAB CCOC(=O)c1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 12843434 WOUOKHZILDVVPM-UHFFFAOYSA-N 308.337 3.889 0 40 DHAB C[C@@]1(c2ccccc2)CC(c2ccccc2)=Nc2nonc2N1 13130137 HIIZWIAXRNBQTG-SFHVURJKSA-N 304.353 3.921 0 40 DHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CCC(C)C)cnc12 13728511 AUNWZKGDRBGQTL-UHFFFAOYSA-N 301.415 3.669 0 40 DHAB Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1ccccc1F 14117166 ICDBWEIQMDKWAE-GFCCVEGCSA-N 306.406 3.655 0 40 DHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccco1 20145237 OCHOZMJXRNARCT-VQHVLOKHSA-N 323.348 3.992 0 40 DHAB O=C(Nc1cccc2cnccc12)[C@@H]1Cc2ccccc2S1 21220043 RXQAZYLVYWXCFV-KRWDZBQOSA-N 306.390 3.890 0 40 DHAB COc1ccc(/C=C/c2nc3n(n2)C=COc2ccccc2-3)cc1 21364855 KDSUXCWQFUUMLM-DHZHZOJOSA-N 317.348 3.945 0 40 DHAB CC[C@@H](CNC(=O)c1ccc(C(C)=O)s1)c1ccccc1 23748513 NOWVRDBFKIKLFL-ZDUSSCGKSA-N 301.411 3.874 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)s1 24070486 DVMSYDKLLXLIBN-UHFFFAOYSA-N 324.452 3.775 0 40 DHAB CC1(C)CC(Nc2nnc(-c3ccccc3)s2)CC(C)(C)N1 24775783 NRHYVNXLLHQVDD-UHFFFAOYSA-N 316.474 3.926 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccoc1 24987584 CCUVWJUNAOULKY-GOSISDBHSA-N 317.348 3.675 0 40 DHAB COc1ccc2nc(Sc3ncnc4sccc34)[nH]c2c1 25061706 GJRBMRYYCDDXRD-UHFFFAOYSA-N 314.395 3.727 0 40 DHAB C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)C1CC1 25595444 PBDDKOHGEMFWGQ-LLVKDONJSA-N 318.467 3.964 0 40 DHAB COc1ccccc1N[C@H](C)c1nc(-c2cccs2)no1 27058318 NQQGAUJLMHSPJL-SNVBAGLBSA-N 301.371 3.980 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccn(Cc2ccc(F)cc2)n1 27915918 HFXRMDBRHFPALI-DHZHZOJOSA-N 321.355 3.722 0 40 DHAB CCNc1nc(S[C@H](C)c2nc(C)no2)nc2ccccc12 31766935 YIILSNILFVVLQX-SECBINFHSA-N 315.402 3.606 0 40 DHAB CC1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 32802910 OVKCIQQVEHKXPG-POOIEITISA-N 306.372 3.985 0 40 DHAB CCCC[C@H](CC)CNC(=O)c1ccc(Cn2ccnc2)cc1 32913674 PQSQEODXJSLNJE-INIZCTEOSA-N 313.445 3.878 0 40 DHAB Cc1ccc(N(Cc2ccccc2)C(=O)c2cnc(C)cn2)cc1 36779311 WFXKEYOSJLHXTN-UHFFFAOYSA-N 317.392 3.940 0 40 DHAB CC(C)c1ccc(CN(C(=O)Nc2nncs2)C2CC2)cc1 43129671 MBJJWKQKEFJDQF-UHFFFAOYSA-N 316.430 3.858 0 40 DHAB Cc1ccc(NCc2cc(=O)n3c(C)csc3n2)cc1Cl 43304509 QWLVRQSBLSGQLO-UHFFFAOYSA-N 319.817 3.638 0 40 DHAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)n[nH]2)cc1 44839151 BBXCMHMZISTYLL-KRWDZBQOSA-N 317.392 3.802 0 40 DHAB COc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cn1 48018062 MLHAHIFFPBWUAK-CYBMUJFWSA-N 303.387 3.521 0 40 DHAB CC(C)CC[C@]1(CCN2CCOCC2)CCO[C@H](C(C)C)C1 49762643 WJJUOFFEYGAKBZ-OALUTQOASA-N 311.510 3.966 0 40 DHAB O=C(NCCOc1cccc2ccccc12)c1ccccc1F 54592136 FMMLQUXBAGSMLT-UHFFFAOYSA-N 309.340 3.788 0 40 DHAB CCc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 59498027 YKRMCWBZBZIVKD-UHFFFAOYSA-N 324.424 3.627 0 40 DHAB CC[C@H](NC(=O)c1cccs1)c1ccc2c(c1)OCCCO2 64986949 NOHROYUMAVAXAX-ZDUSSCGKSA-N 317.410 3.791 0 40 DHAB Cc1noc([C@@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 69593734 KPDRBKWGRLBQEM-SECBINFHSA-N 316.792 3.632 0 40 DHAB Cc1ccc(CN(C(=O)C2CCOCC2)c2ccc(F)cc2)o1 69810767 FLBJOGCNEABEFW-UHFFFAOYSA-N 317.360 3.687 0 40 DHAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 69871296 WDPRXEOEQCESBJ-JKSUJKDBSA-N 301.434 3.526 0 40 DHAB C[C@@H](C1CC1)N(C(=O)c1cnc(-c2ccccc2)nc1)C1CC1 71839149 HPBSLWPOSLMGIJ-ZDUSSCGKSA-N 307.397 3.547 0 40 DHAB C[C@H](c1ccccn1)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C 72203935 AZUVUIZQXCYECR-HUUCEWRRSA-N 319.449 3.522 0 40 DHAB CCOC(=O)c1cc2cc(NCc3cc(C)on3)ccc2s1 73602750 WIHPYEFINFTRMB-UHFFFAOYSA-N 316.382 3.987 0 40 DHAB CN(CC(=O)Nc1ccccc1)C(=O)c1cccc2ccccc12 73786897 KGNNSFXDFIMHQL-UHFFFAOYSA-N 318.376 3.551 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N(Cc1cccnc1)Cc1ccco1 78728043 MWEIOPKUVVZHPT-LESCRADOSA-N 310.397 3.640 0 40 DHAB O=C(NCc1ccc(-c2ccccc2)o1)[C@@H]1C[C@H]1c1ccco1 84562707 OSSRJIQUNQOCDX-HZPDHXFCSA-N 307.349 3.960 0 40 DHAB Cc1cc(CSc2nnc(C)n2[C@H]2CCC[C@H](C)C2)no1 95442191 DTXBCPIGQMORSS-HZMBPMFUSA-N 306.435 3.926 0 40 DHAB c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccccn2)cc1 96061592 DBMMLLIYSUWIST-LEWJYISDSA-N 322.452 3.694 0 40 DHAB C[C@H]1CCCCN1C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 96192880 ILIJXMPPEXVRII-YVEFUNNKSA-N 320.820 3.624 0 40 DHAB CC(C)=CC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 96456104 ZKIKETRNWQOJII-QGZVFWFLSA-N 315.804 3.644 0 40 DHAB Cc1nc(Cn2cccc(C)c2=O)oc1-c1ccc(Cl)cc1 96467607 XEYMEOHEPMLXEZ-UHFFFAOYSA-N 314.772 3.822 0 40 DHAB CC(C)Oc1ccc([C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 100621448 JDBFRWBNRITDBA-KRWDZBQOSA-N 309.365 3.521 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccc(N(C)C)cc3)[C@H]1[C@@H]2C 101125831 ARHZHRUTGKCDRK-WOCWYEKDSA-N 315.457 3.651 0 40 DHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 110592298 BBINDPFCVASWTG-YRGRVCCFSA-N 314.212 3.519 0 40 DHAB c1ccc2oc([C@@H]3CCCN(c4ccnc(C5CC5)n4)C3)nc2c1 112514181 DKKVEPKZASEVJL-CQSZACIVSA-N 320.396 3.879 0 40 DHAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 137289039 UREHTHJJGQMROH-LLVKDONJSA-N 321.808 3.627 0 40 DHAB Cc1ccc2cc(CNc3cccc4c3OCC[C@H]4O)ccc2n1 189435222 FAHUOGKWJZBDFA-LJQANCHMSA-N 320.392 3.971 0 40 DHAB O[C@H](CSCc1ncc(Cl)cc1Cl)C(F)(F)F 191153325 LNXFNFPRCLITKL-MRVPVSSYSA-N 306.136 3.545 0 40 DHAB COc1cccc(C=O)c1OCCCCN1[C@@H](C)CCC[C@H]1C 217792874 RACGSBWQCKZWDM-IYBDPMFKSA-N 319.445 3.930 0 40 DHAB OCCn1c(SCc2ccccc2Cl)nc2ccccc21 218825458 IVPVMFNEBPHMDO-UHFFFAOYSA-N 318.829 3.974 0 40 DHAB O=C(Cc1ccsc1)N1CCS[C@@H](c2ccco2)CC1 219416330 ZRDBKPLGEWTOGR-CQSZACIVSA-N 307.440 3.590 0 40 DHAB COc1ccc(CN(C)C(=O)CCc2ccc(C)c(C)c2)cc1 224442154 IAJCWSDZDUYAKW-UHFFFAOYSA-N 311.425 3.903 0 40 DHAB COc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1Cl 225135139 CLYZLIHRXLZHFA-LBPRGKRZSA-N 303.789 3.882 0 40 DHAB Cc1cc(F)ccc1CN(C)C(=O)CCCC1CCOCC1 225589034 KKJGKBZDOLWBHV-UHFFFAOYSA-N 307.409 3.689 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225645205 RLNDTLVWCZKMKK-SFHVURJKSA-N 305.418 3.928 0 40 DHAB O=C(Cc1cccs1)NCc1cncc(-c2cccs2)c1 225663516 HLAAUTASAWDWNS-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(C)cc2)c1 225688775 FOVYYRUMLMCDAG-UHFFFAOYSA-N 317.454 3.598 0 40 DHAB O=C(NC1CCCCCCC1)c1cnn(Cc2ccccc2)c1 225890093 ZPPHUBUXOUVLCN-UHFFFAOYSA-N 311.429 3.774 0 40 DHAB CC(C)n1c(Cl)nc2cc(C(=O)NC3CCCC3)ccc21 225987354 LSPAYWJJANXLEL-UHFFFAOYSA-N 305.809 3.943 0 40 DHAB CCN(Cc1ccccc1)C(=O)c1cccnc1-c1cncs1 257267567 MHWDIAYMJLIHSH-UHFFFAOYSA-N 323.421 3.867 0 40 DHAB CCCN(Cc1ccccc1)C(=O)c1ccc2cnncc2c1 408978836 NLNCARMHHCMHNP-UHFFFAOYSA-N 305.381 3.682 0 40 DHAB COc1ccc(NC(=O)Nc2ccc3c(c2)nc(C)n3C)cc1 409127939 RYOGGVZAWAOMJF-UHFFFAOYSA-N 310.357 3.534 0 40 DHAB Cc1ccc(-n2nnc(-c3ccc(Cl)c(Cl)c3)n2)cc1 150784 AOFTYTDIFGFAAQ-UHFFFAOYSA-N 305.168 3.945 0 40 DHAB Cc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 364796 CWLINTWAQYPVBU-SFHVURJKSA-N 309.409 3.876 0 40 DHAB COc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 514860 GOTLRGWDAXMMRZ-UHFFFAOYSA-N 310.397 3.543 0 40 DHAB O=C(CSc1nnc(-c2ccco2)o1)c1ccccc1Cl 1387088 UZVVNVKMPFZXHR-UHFFFAOYSA-N 320.757 3.958 0 40 DHAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCCC1 1643128 XQQKZHKJJACIRO-UHFFFAOYSA-N 304.393 3.931 0 40 DHAB CN(C)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S 3260764 LMOCKGSXQRFQKW-UHFFFAOYSA-N 316.455 3.651 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)Nc1nc2ccccc2s1 3402926 XFMWLJVVNRZCNB-UHFFFAOYSA-N 324.405 3.803 0 40 DHAB COc1ccccc1NC(=O)CCc1nc2ccccc2s1 5862309 MNYZAFCZSOUPNP-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB CCc1cccc(C)c1NC(=O)Cc1cc(OC)ccc1OC 6539801 DKAYQBUBILOYFY-UHFFFAOYSA-N 313.397 3.756 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2Cl)c(F)c1 6881020 LMKWBNRABOAQEB-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB CC[C@H](C)O[C@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O 6934256 LRVJQCMQTQIIDZ-VBKZILBWSA-N 322.408 3.926 0 40 DHAB COc1cccc(CSc2nnc(-c3ccoc3C)o2)c1 7194921 DPUGJYDGTPFKKV-UHFFFAOYSA-N 302.355 3.939 0 40 DHAB CCCc1nnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1 7981358 BWLFQFYFVYLVFB-UHFFFAOYSA-N 315.320 3.762 0 40 DHAB CCCc1cc(=O)c2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]1 8391752 XVHQGPDXIPDGHX-UHFFFAOYSA-N 309.413 3.964 0 40 DHAB Cc1ccc(C)c(-n2ncc3c(N4CCC(C)CC4)ncnc32)c1 9627541 DIGAJZLMRDJBMF-UHFFFAOYSA-N 321.428 3.669 0 40 DHAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 10132742 APJLRXVUICPZHQ-NSHDSACASA-N 319.836 3.500 0 40 DHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(F)c(F)c1)C2 11378946 CENJDZRVXWKALR-OAHLLOKOSA-N 305.349 3.929 0 40 DHAB CCCCCC(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1 12296865 RQROOQKGSLIJFT-UHFFFAOYSA-N 300.402 3.642 0 40 DHAB biogenic C[C@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cccc(Cl)c1 12600750 MPSHZXVTKBXBHR-AEZGRPFRSA-N 319.744 3.517 0 40 DHAB CN(C)c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 12828480 ZGFXJEWMGAJFOC-UHFFFAOYSA-N 315.442 3.730 0 40 DHAB COc1ccc(CN(c2ncnc3sccc23)C2CC2)cc1 12942065 HLVNTZCNAQYJNA-UHFFFAOYSA-N 311.410 3.869 0 40 DHAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)no1 14585611 LFBMVZDXQCHTBU-UHFFFAOYSA-N 321.308 3.637 0 40 DHAB O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1F 16469724 ASLYJJZGGSPHSE-UHFFFAOYSA-N 311.278 3.703 0 40 DHAB COCO[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]12C 17420708 PEIDRQFNXDVMTA-UAFMIMERSA-N 314.425 3.958 0 40 DHAB CCN(Cc1ccccc1)[C@@H]1CN(C(C)=O)C2(CCCCC2)C1 19695671 VVNGOLRQRXROGS-IBGZPJMESA-N 314.473 3.832 0 40 DHAB C[C@@H]1CCc2onc(C(=O)Nc3ccc(F)cc3Cl)c2C1 20572129 DMWFLMJBTWPQKK-MRVPVSSYSA-N 308.740 3.844 0 40 DHAB COc1ccccc1C1=N/C(=C\c2ccc([C@@H]3C[C@@H]3C)o2)C(=O)O1 25318139 NDLRFSLZRLMBIR-NJMOLFHQSA-N 323.348 3.756 0 40 DHAB Cc1cccc(COC(=O)c2cc3cnn(C(C)C)c3nc2C)c1 26259092 UBQRRWUWUWFGPL-UHFFFAOYSA-N 323.396 3.986 0 40 DHAB Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 26894601 MPUGPCIUJYVPNB-IAGOWNOFSA-N 308.360 3.872 0 40 DHAB C[C@@H](C(=O)NC1CCCC1)N(C)CC12CC3CC(CC(C3)C1)C2 27782551 KWKRPTVSPCFPNH-KMYSJOAASA-N 318.505 3.582 0 40 DHAB Cc1ccc(-c2nc(CN3C[C@H](C)O[C@H](C)C3)co2)c(C)c1 29922412 WLOOTNVQZMCAGS-GASCZTMLSA-N 300.402 3.568 0 40 DHAB O=C(NCCSCc1ccco1)C12CC3CC(CC(C3)C1)C2 32667725 MHZOPAREPBLXKI-UHFFFAOYSA-N 319.470 3.845 0 40 DHAB O=C(Nc1cccnc1)c1cc2occc2n1Cc1ccccc1 36358479 WQIFKTSSPOYUBX-UHFFFAOYSA-N 317.348 3.930 0 40 DHAB Cc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)n1 40051487 VJMRLCYIGNHYGO-UHFFFAOYSA-N 323.421 3.752 0 40 DHAB CCCc1nc(CSc2nnc(C3CC3)n2CC)cs1 45002969 KUNRWFYRWADFSB-UHFFFAOYSA-N 308.476 3.877 0 40 DHAB CCOc1ccc(NC(=S)NCc2cccc(F)c2)cc1 46415914 JGZGYAILUVFBAJ-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB C[C@H]1C[C@H](OC(=O)/C=C/c2cccc(-c3ccccc3)c2)C(=O)O1 46494572 WDJCWWJRYJVYAC-QUMLYMBLSA-N 322.360 3.614 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ccncc2)c1C 48196359 WWFUIMKWSUASKO-SJLPKXTDSA-N 324.424 3.829 0 40 DHAB Cc1cc(CN(C)Cc2csc(Cc3ccccc3)n2)no1 48252625 UCKKNOXRXHADJS-UHFFFAOYSA-N 313.426 3.662 0 40 DHAB CCOC(=O)N(C)c1ccc(NC(=O)N2CCCCCC2)cc1 54529375 DMKHRDHCXFTOQE-UHFFFAOYSA-N 319.405 3.687 0 40 DHAB O=C(Cc1ccc(F)cc1)NCCOc1cccc2ccccc12 55775580 MNIFTSICAACDFQ-UHFFFAOYSA-N 323.367 3.717 0 40 DHAB Cc1cc(N2CC3C[C@H]4CC2C[C@@H](C3)C4)nc(-c2ccncc2)n1 57829150 QCOMYGBJQPTCGB-SFYZZRBRSA-N 320.440 3.862 0 40 DHAB CC[C@@H](C)[C@@H](NCc1ccc(Cl)c(Cl)c1)C(=O)OC 57901108 RCORSZWEMPLIFI-NOZJJQNGSA-N 304.217 3.671 0 40 DHAB COCCCN(C)C(=O)Nc1ccc(OC2CCCC2)cc1 66963895 SXXYKKPDRODAQZ-UHFFFAOYSA-N 306.406 3.508 0 40 DHAB Cn1cc([C@H]2CCCN2Cc2csc(C3CCCC3)n2)cn1 71797182 JQBWIONSCXLHJH-MRXNPFEDSA-N 316.474 3.871 0 40 DHAB O=C(CCc1ccco1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 72346766 YCYNQPFROZUQHJ-QGZVFWFLSA-N 323.396 3.842 0 40 DHAB CC[C@H](NC(=O)N(C)CCc1cccs1)c1nccs1 74365511 UAMUTYFEFWIJEU-LBPRGKRZSA-N 309.460 3.540 0 40 DHAB O=C(c1ccco1)N(CCc1cccs1)Cc1cccnc1 75154734 ZPESRNYTXZAPQS-UHFFFAOYSA-N 312.394 3.621 0 40 DHAB O=C(c1cc2ccccc2s1)N1CC[C@H](Oc2cccnc2)C1 79110871 PIVQCYSIEJHZMP-HNNXBMFYSA-N 324.405 3.590 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccccc2F)C1 89212721 WSHIXPRCKVXCHM-CQSZACIVSA-N 322.424 3.562 0 40 DHAB Cc1cc2ncc([C@H](C)NCCSC(C)(C)C)c(C)n2n1 89516576 DJBRNYMSBKZIPB-LBPRGKRZSA-N 306.479 3.528 0 40 DHAB CC(C)COc1ccc(CC(=O)N[C@H](C)c2ccncc2)cc1 89840310 CDUBVNYEQKKJDC-OAHLLOKOSA-N 312.413 3.536 0 40 DHAB Cc1cccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)c1 96306171 IUWRPGXIYOHRMD-WEVVVXLNSA-N 305.333 3.753 0 40 DHAB CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)CC(C)(C)OC)c1 96434536 VRIWYGPSPNBPGB-OLZOCXBDSA-N 308.422 3.719 0 40 DHAB CN(C(=O)Nc1ccccc1-c1ccncc1)[C@@H]1CCSC1 96485056 KYQNKDGFSTZZOQ-CQSZACIVSA-N 313.426 3.718 0 40 DHAB CC(C)OCc1ccc(CNCc2c[nH]nc2C(C)(C)C)cc1 97159619 UQPBDIQFQDMVHQ-UHFFFAOYSA-N 315.461 3.922 0 40 DHAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 102204501 CKDOXQLTSQDWES-VMUDFCTBSA-N 309.413 3.663 0 40 DHAB C[C@@]12C=Cc3occc3[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3 138759054 JEKMKNDURXDJAD-JTSSGKSMSA-N 314.425 3.720 0 40 DHAB in-vitro c1ccc([C@H]2OCCC[C@@H]2c2nc(-c3ccncc3)no2)cc1 193199396 BUMJUSRMOPUOEP-JKSUJKDBSA-N 307.353 3.767 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccccc2Cl)c(C)c1 224725751 GTJRGSAIGKGUBK-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB COCc1cccc(NC(=O)CCCc2nc3ccccc3o2)c1 224951652 IJYOAYTWDZPPGS-UHFFFAOYSA-N 324.380 3.936 0 40 DHAB CCc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1 225095607 SZZQUDNRKYEQGM-UHFFFAOYSA-N 301.817 3.804 0 40 DHAB CCOc1ccc(C(=O)NCCOc2ccccc2)cc1Cl 225103633 MAZMOVNMNJCHJV-UHFFFAOYSA-N 319.788 3.548 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(F)cc2)cc1 225821520 PAJARZLALVKKCA-OAHLLOKOSA-N 315.388 3.650 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)c1conc1-c1ccccc1 225869432 PSSFSOFZHWKVIY-CYBMUJFWSA-N 304.349 3.933 0 40 DHAB Cc1cccc(-n2c(C)nnc2SCN2CCCCC2)c1C 226820190 BYUUUYCIXSRUKP-UHFFFAOYSA-N 316.474 3.728 0 40 DHAB O[C@@H](COc1cccc(-c2nccs2)c1)CC(F)(F)F 280394658 FWSLXWZICLCGML-SNVBAGLBSA-N 303.305 3.502 0 40 DHAB C[C@H](NCc1ccccc1)c1nc([C@H]2CCCSCC2)no1 575414975 DCWNRCLMDRMAOA-ZFWWWQNUSA-N 317.458 3.921 0 40 DHAB CO[C@@H]1CCC[C@H](Sc2nnc(-c3cccs3)n2C)C1 585118910 HRRBEFLXJPALDW-MNOVXSKESA-N 309.460 3.593 0 40 DHAB FC1(F)CC(CN2CCC(c3ccc4cccnc4n3)CC2)C1 847036668 XVFIKOSATWUDAH-UHFFFAOYSA-N 317.383 3.855 0 40 DHAB CC(C)(C)C(=O)NC1CCN(Cc2cccc3ccccc23)CC1 1203987817 DPSZIPCRSARPAT-UHFFFAOYSA-N 324.468 3.967 0 40 DHAB O=C(COc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008288 BUAMULNGDNSEFD-IRXDYDNUSA-N 315.388 3.694 0 40 DHAB O=Cc1nc(Br)c(-c2ccc3ccccc3c2)[nH]1 1857794632 DRLYKBXXRFJWDZ-UHFFFAOYSA-N 301.143 3.805 0 40 DHAB O=c1c2ccccc2nc(-c2ccco2)n1CCc1ccccc1 49416 ZFIMKOHGGKYLGR-UHFFFAOYSA-N 316.360 3.899 0 40 DHAB in-vivo O=C(Oc1ccccc1Cl)c1ccc(Br)o1 70819 VTDGHSKGCDXNHL-UHFFFAOYSA-N 301.523 3.915 0 40 DHAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(F)c1 356196 RKBZZPQHOBMSAH-NTEUORMPSA-N 301.704 3.824 0 40 DHAB COc1cccc(NC(=S)NCc2cccc(Cl)c2)c1 3339334 MMWLHHFDINMUEY-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB O=C(COC(=O)c1ccccc1F)Nc1cccc2ccccc12 3394463 JZKJOWYEKLPVJH-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB Cc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)o1 3407603 IKJBNAKDMRZLTM-CMDGGOBGSA-N 304.729 3.681 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccco1 3514648 FSTDMFKLAIFXKZ-UHFFFAOYSA-N 301.342 3.507 0 40 DHAB C[C@H](OC(=O)c1cccn1C)C(=O)c1ccc(C(C)(C)C)cc1 4564315 IOXFOARHZXLULR-ZDUSSCGKSA-N 313.397 3.751 0 40 DHAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)nc1 4931127 NGRZLFCGAPNOGG-UHFFFAOYSA-N 315.348 3.602 0 40 DHAB COc1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 5285206 QLSVZEZXJJVBAH-UHFFFAOYSA-N 305.399 3.619 0 40 DHAB C[C@@H](Sc1nnc2ccccn12)c1nnc(-c2ccccc2)o1 5315790 LWIGUERGTZDGRC-LLVKDONJSA-N 323.381 3.633 0 40 DHAB C[C@H]1C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)OC1=O 6268325 XKRMXHJZTCMZBQ-KGNXMHJRSA-N 320.473 3.932 0 40 DHAB CCN(CC)CCNC(=S)Nc1ccc(Cl)c(Cl)c1 6462786 RNBAZQNNEKJGGJ-UHFFFAOYSA-N 320.289 3.622 0 40 DHAB O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1CC(F)(F)F 7113347 INLDGLHMMBUTMW-AWEZNQCLSA-N 324.277 3.955 0 40 DHAB Cc1occc1-c1nnc(SCC(=O)c2ccccc2)o1 7196256 WVBNSACHIYWTMH-UHFFFAOYSA-N 300.339 3.613 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)ccc1C 7758329 MECZRVYSIIKIDQ-UHFFFAOYSA-N 312.369 3.523 0 40 DHAB COc1ccc(CN(C(=O)c2cc3ccccc3[nH]2)C2CC2)cc1 8164696 BANOTVFUHKHZEY-UHFFFAOYSA-N 320.392 3.981 0 40 DHAB CCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 8869601 MZSYWAIFPLKYNZ-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB CC(C)CSc1nnc(SCC(=O)c2ccc[nH]2)s1 9366696 CHHSKEXMODLBNY-UHFFFAOYSA-N 313.473 3.589 0 40 DHAB CCCc1nnc(NC(=O)c2oc3c(F)cccc3c2C)s1 9376389 IIBMAEZKDSVMQX-UHFFFAOYSA-N 319.361 3.937 0 40 DHAB COC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)s1 9908641 ZTVDBQARJMNBIE-UHFFFAOYSA-N 315.350 3.842 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)c1cccc2ccccc12 9915589 PFQPGPKTIAIVLY-UHFFFAOYSA-N 301.349 3.646 0 40 DHAB Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 12396093 NILAXMXJVAPBFA-UHFFFAOYSA-N 313.332 3.690 0 40 DHAB COc1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 12618507 JWDNRAGEESCRNI-UHFFFAOYSA-N 322.364 3.922 0 40 DHAB COc1cccc(CNC(=O)N[C@@H](c2ccccc2)C2CC2)c1 12870173 JBKNMUHYRIGHSB-SFHVURJKSA-N 310.397 3.646 0 40 DHAB Cc1cccc(CNC(=O)COc2cccc3ccccc23)c1 12891486 SKLJCJDYJZBLIU-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB CCc1sc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1C 13105364 KWNMNXOSLSNBAQ-GFCCVEGCSA-N 323.458 3.613 0 40 DHAB CC(C)c1nn(CN2CCC[C@H]2c2ccccc2)c(=S)[nH]1 14158590 NBTBTWQKWAMTQI-AWEZNQCLSA-N 302.447 3.859 0 40 DHAB c1coc(-c2nnc(CN3CCC[C@H]3c3cccs3)o2)c1 15301431 NPDOQGAXROKWBK-NSHDSACASA-N 301.371 3.728 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)c3ccccc3C)ccc21 17289124 DOACFCKGZWJFMK-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB CCc1nc(N2C[C@H](C)O[C@H](C)C2)c2oc3ccccc3c2n1 17919013 PMGOOAVBGZPWCB-TXEJJXNPSA-N 311.385 3.552 0 40 DHAB O=C(NCc1ccccc1CN1CCCCC1)Nc1ccccc1 18177331 JPEXBERWHLUFGP-UHFFFAOYSA-N 323.440 3.994 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCc2ccccc2C1=O 19083208 YOSCDMNSILJRMJ-HZPDHXFCSA-N 315.413 3.831 0 40 DHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736793 ZBMYAOGAIAEXJQ-LLVKDONJSA-N 302.349 3.838 0 40 DHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1 20375094 FENQFIBVMMDGBU-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB O=c1[nH]c2ccc(NCc3c(Cl)cccc3Cl)cc2[nH]1 20879720 BHKBSGAIQDULDE-UHFFFAOYSA-N 308.168 3.775 0 40 DHAB Cc1ccsc1C(=O)NCc1ccccc1CN1CCCC1 21639685 MIJKYHDAHKNCLQ-UHFFFAOYSA-N 314.454 3.582 0 40 DHAB CC1CCC(N(C)C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 25625573 OAEUTYNLKBVQBK-UXBLZVDNSA-N 315.413 3.508 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 26502163 JUGYTNOWLAPCFP-NEPJUHHUSA-N 305.324 3.610 0 40 DHAB C[C@H](OCCCNC(=O)c1ccc(Cl)o1)c1ccccc1 32907580 WCAARFBFJJFGGH-LBPRGKRZSA-N 307.777 3.831 0 40 DHAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1S 40164058 IEUCXQQSGVRQBU-UHFFFAOYSA-N 301.289 3.719 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCCC2)cc1OC 40488844 MQMUNFKXAVZPPA-HNNXBMFYSA-N 303.402 3.558 0 40 DHAB C[C@H](Nc1ccc2c(c1)OCCCO2)c1nc(C(C)(C)C)no1 40493998 YTQAJKXGCPAAFP-NSHDSACASA-N 317.389 3.702 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)Nc2cccc3cccnc23)no1 43529009 ANHZQALRFKTXHY-MRXNPFEDSA-N 322.368 3.900 0 40 DHAB COc1cccc([C@@H]2CCCN2Cc2nnsc2Cl)c1 44895158 FWXJZDQNNGVBFP-ZDUSSCGKSA-N 309.822 3.537 0 40 DHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 45520839 WFTZNUKWRDZSDA-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CCCCCNC(=O)C1CCN([C@@H](C)c2ccc(F)cc2)CC1 45944981 MLVFUTYDYKNMRA-HNNXBMFYSA-N 320.452 3.905 0 40 DHAB Cc1cccc(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1C 57739306 HNIRRIHUYDXJCO-HNNXBMFYSA-N 314.404 3.902 0 40 DHAB Cc1cccc(C(C)(C)CNC(=O)c2n[nH]c3ccccc23)c1 60186281 VWERCTPWGDXGIR-UHFFFAOYSA-N 307.397 3.579 0 40 DHAB c1cnc2ccc(OCCCOc3ccc4c(c3)OCO4)cc2c1 65205835 HKULYNVBLLPOED-UHFFFAOYSA-N 323.348 3.811 0 40 DHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1cccc(Cl)c1 71279939 XPEAJEVUAHPEIE-NSHDSACASA-N 305.765 3.534 0 40 DHAB Cc1nc(-c2cc(C(=O)N3CCc4ccccc43)n(C)c2)cs1 73001825 DUBJUJRJGLZLDI-UHFFFAOYSA-N 323.421 3.660 0 40 DHAB COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)c1ccco1 76088689 DKESAMLEJHRKHH-NWDGAFQWSA-N 320.364 3.891 0 40 DHAB CCOc1ccc(-c2nc(C)sc2CC(=O)O)cc1OCC 85397434 GHLJPIBTDVMVDQ-UHFFFAOYSA-N 321.398 3.543 0 40 DHAB Cc1cc(NCc2csc(C3CCCC3)n2)ccc1C(N)=O 86206371 BGJYDMULGQPRHW-UHFFFAOYSA-N 315.442 3.820 0 40 DHAB O=C(c1cc(F)cc(C(F)(F)F)c1)N1C[C@H]2CC=CC[C@H]2C1 95964763 SMZOPXDVWCTXHV-PHIMTYICSA-N 313.294 3.883 0 40 DHAB C[C@H](NC1(c2cccc(F)c2)CC1)c1ccc([S@](C)=O)cc1 95991427 FPPSDWMBNHPRFV-WHEQGISXSA-N 317.429 3.903 0 40 DHAB CCn1c(SCc2ccccn2)nnc1-c1cccc(C)c1 96992370 DZCPHHQYGIAGTL-UHFFFAOYSA-N 310.426 3.961 0 40 DHAB Cc1ccc([C@H](C)NC2CCN(CCOC(C)C)CC2)s1 157956121 REPOTKGBSUAJIM-HNNXBMFYSA-N 310.507 3.597 0 40 DHAB NC(=O)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 216792314 KKHQKMKAGWOUQV-UHFFFAOYSA-N 307.136 3.901 0 40 DHAB CC(C)(C)c1ccc(OCCNC(=O)NC2CCCCC2)cc1 223662851 XHSLWYXUJFCYRO-UHFFFAOYSA-N 318.461 3.995 0 40 DHAB CCCOc1ccc(C(=O)NCCSC2CCCC2)cc1 225067224 WWLLMVCDGJAHDT-UHFFFAOYSA-N 307.459 3.881 0 40 DHAB CCOc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)cc1 225106725 YLNSTJQXJOHUAV-INIZCTEOSA-N 320.772 3.813 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCC2)c(C)c1 225168354 XNTCXRFZHUXDLG-HNNXBMFYSA-N 321.486 3.863 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1C 225699540 AYKVFCNYUUQOES-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB CCOc1ccccc1NC(=O)c1ccc2c(c1)nc(CC)n2C 225896779 DWUJSTNHXBVVOG-UHFFFAOYSA-N 323.396 3.787 0 40 DHAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)nc2)CCC[C@H](C)C1 225910567 AWNQYZPLPCTWMU-KSSFIOAISA-N 320.433 3.794 0 40 DHAB CCn1cc(C(=O)Nc2ccccc2F)c(=O)c2cc(C)ccc21 408712923 BKVJIERWBBBCNR-UHFFFAOYSA-N 324.355 3.721 0 40 DHAB C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nc(C(=O)O)cs1 572250230 KNNPRIOOKQLKSD-JTQLQIEISA-N 324.833 3.558 0 40 DHAB O=C(NCC[C@H](CCO)c1cccs1)c1cccc(Cl)c1 575604043 PCTLFGYRGRAQCV-GFCCVEGCSA-N 323.845 3.688 0 40 DHAB Cc1oncc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 575604704 DLNUKOXIPSAFGM-UHFFFAOYSA-N 300.145 3.612 0 40 DHAB CCc1ccc2occ(C(=O)N(CC)C3CCN(C)CC3)c2c1 585087872 ZAHZRNKPGBZXJW-UHFFFAOYSA-N 314.429 3.552 0 40 DHAB O=C(/C=C/c1ccco1)NC[C@H](c1ccsc1)c1ccco1 675007785 PKVUPVJZBUIWMN-LLYBFZRZSA-N 313.378 3.896 0 40 DHAB CCc1nnc(C2CCN(c3nc4ccccc4o3)CC2)s1 2086866040 KXYAFZPVGYDIOB-UHFFFAOYSA-N 314.414 3.626 0 40 DHAB COc1ccc(-c2noc(-c3cc4ccccc4oc3=O)n2)cc1 386270 WHENBKZFFNJZMH-UHFFFAOYSA-N 320.304 3.519 0 40 DHAB CC(C)c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C 416682 MZXZXQIKPXLFMC-UHFFFAOYSA-N 309.822 3.567 0 40 DHAB CCCc1nnc(NC(=O)c2csc3c2CC[C@H](C)C3)s1 538246 TVGCHWDAQMOLPS-VIFPVBQESA-N 321.471 3.929 0 40 DHAB O=C(C[C@@H](c1ccccc1)c1ccccc1O)NCc1ccco1 543594 DFOLPCGIIWIRME-SFHVURJKSA-N 321.376 3.824 0 40 DHAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1 556109 PKGUOIYIKPBZJN-UHFFFAOYSA-N 304.777 3.876 0 40 DHAB Cc1cc(C)cc(N(Cc2ccccc2C)S(C)(=O)=O)c1 571724 IIIGZXOZBUXRJC-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB O=C(OCCN1CCCC1)[C@@H](c1ccccc1)[C@H]1C=CCCC1 1712583 WBSQBCKCXJYLSQ-OALUTQOASA-N 313.441 3.766 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCc2ccccc21 3341864 GRFINIPGYWIJAD-LJQANCHMSA-N 304.393 3.904 0 40 DHAB O=C1[C@H]2CC=C(Cl)C[C@@H]2[C@@H]2c3[nH]c4ccccc4c3CCN12 4025915 CQKQDDPDUJFJHB-GRDNDAEWSA-N 312.800 3.756 0 40 DHAB Cc1cccc2c(CC(=O)Nc3ccc(Cl)cc3)noc12 4667874 QLBHGSVKQRJTJJ-UHFFFAOYSA-N 300.745 3.971 0 40 DHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccccc1C(C)(C)C 5049797 HNHQAOOBEYWCDN-ULQDDVLXSA-N 319.489 3.987 0 40 DHAB CC(C)n1cc(/C=C2/SC(=O)N(C)C2=O)c2ccccc21 6348015 KRWQQUREHYPESD-RIYZIHGNSA-N 300.383 3.888 0 40 DHAB Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1C 7070523 MPMVIJPMPFXZJP-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB Cc1noc(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 7401061 FSUYLCJRZRNRAI-UHFFFAOYSA-N 312.291 3.882 0 40 DHAB Cc1cccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 7889929 KIYDEEMHYDTHTO-AWEZNQCLSA-N 309.365 3.997 0 40 DHAB C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1cccc(Cl)c1 8393206 TWSFQCKSTROSCE-GFCCVEGCSA-N 302.805 3.897 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc3ccccc3o2)C1 10140959 AVADOSFEEMNSNO-FRRDWIJNSA-N 318.442 3.813 0 40 DHAB Cc1c(C)n(C[C@@H](O)CNC2CCCCC2)c2ccc(F)cc12 12422000 BQCBTBXBCAOYKN-KRWDZBQOSA-N 318.436 3.680 0 40 DHAB COc1ccccc1Oc1ncccc1CNC(=O)C(C)(C)C 12448747 XUZQWVNKCKCTLP-UHFFFAOYSA-N 314.385 3.545 0 40 DHAB CCc1nc2ccccc2n1C[C@@H](O)COc1cc(C)ccc1C 12602774 SCJMXLHRYOCAAS-MRXNPFEDSA-N 324.424 3.655 0 40 DHAB CC(=O)Nc1ccc(Sc2ncnc3sccc23)cc1 12753971 MQXHFRWBAYUVQW-UHFFFAOYSA-N 301.396 3.801 0 40 DHAB O=C(Cc1cccc2cccnc12)Nc1ccc2c(c1)CCC2 12938149 HSLYGRGAZMUWGF-UHFFFAOYSA-N 302.377 3.905 0 40 DHAB COc1ccc(-c2cc3nc4c(c(Cl)n3n2)CCCC4)cc1 13562796 OFXACVNBFMRPOJ-UHFFFAOYSA-N 313.788 3.937 0 40 DHAB CCCNc1nc(-c2ccc3c(c2)CCN3C(C)=O)c(C)s1 14102876 LVTQSAWWPZDLRJ-UHFFFAOYSA-N 315.442 3.849 0 40 DHAB O=C(CCc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 23384045 ZCYZWZLSGHJESG-OAQYLSRUSA-N 323.436 3.591 0 40 DHAB Cc1ccc(CC(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 25013730 IISJNURHLBLLBP-UHFFFAOYSA-N 319.408 3.979 0 40 DHAB COc1ccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 25356082 YJYNCVFVEHLGNN-HNNXBMFYSA-N 307.397 3.732 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccccc1OC(F)F)c1ccco1 25461239 ALRNQSRESIYOSM-ANYFNZRUSA-N 307.296 3.772 0 40 DHAB COc1cccc(OC)c1OCc1coc(-c2ccccc2)n1 36688803 MEDCQOYJKVJVAO-UHFFFAOYSA-N 311.337 3.938 0 40 DHAB COc1ccc([C@H](O)c2ccccc2Br)cc1F 40263027 ARKACYJHKWZIPZ-AWEZNQCLSA-N 311.150 3.679 0 40 DHAB CCCCc1nc(C)c(C(=O)N[C@H](C)c2ccncc2)s1 44935073 UGQKSHUKIMFYGO-LLVKDONJSA-N 303.431 3.680 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1ccco1 48368638 IMVCGCCJDYTOMN-LBPRGKRZSA-N 310.353 3.663 0 40 DHAB Cc1ccc(C)n1NC(=O)COc1ccc(-c2ccccc2)cc1 59549639 OQGNWXKNHTZHFR-UHFFFAOYSA-N 320.392 3.921 0 40 DHAB Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccccc1F)C1CC1 65576103 GMRISCQIVDLKJJ-LLVKDONJSA-N 316.376 3.725 0 40 DHAB COc1ccccc1CN(C)C(=O)Cc1cccc(Cl)c1 67791341 LJVAYOYLLFXGOA-UHFFFAOYSA-N 303.789 3.550 0 40 DHAB CCc1ccccc1NC(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1 69417863 ROVIZUNMWDHGJW-HNAYVOBHSA-N 317.477 3.881 0 40 DHAB CC(C)C(=O)NC1CCN(CCc2ccc3ccccc3c2)CC1 70040650 KSXKCNRNCJSSQK-UHFFFAOYSA-N 324.468 3.619 0 40 DHAB CNc1nc(CNC(=O)Nc2cccc3ccccc23)cs1 72306138 RFIIQHQQALUQNT-UHFFFAOYSA-N 312.398 3.660 0 40 DHAB Cc1ccc(-c2[nH]ncc2C(=O)NCCCc2ccccc2)cc1 72328953 HLSUUWNPKSKZIT-UHFFFAOYSA-N 319.408 3.748 0 40 DHAB O=C(Nc1ccc(CCO)cc1)c1ccc(SC(F)F)cc1 78732938 SLIXBAOWLRDSRF-UHFFFAOYSA-N 323.364 3.788 0 40 DHAB CC(C)C[C@H](C)n1nccc1NC(=O)CCCc1ccccn1 79039099 XOICMXDTMJXATG-HNNXBMFYSA-N 314.433 3.847 0 40 DHAB COCCCN(C)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 79116901 HJLLAKBORDERCZ-UHFFFAOYSA-N 314.813 3.627 0 40 DHAB CC(C)[C@H]1CCCN1CCCc1nc(-c2cccs2)no1 84456578 SGMASMRYGMZMHL-CYBMUJFWSA-N 305.447 3.851 0 40 DHAB CC(C)N(C(=O)c1cnc2ccc(F)cc2c1)c1cccnc1 89618053 DVBKGCIQEGTPPC-UHFFFAOYSA-N 309.344 3.824 0 40 DHAB C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@@H]1c1ccncc1 95414602 FTXKCIOZKCNOMR-MAUKXSAKSA-N 316.445 3.873 0 40 DHAB C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)C(C)(C)c1ccccc1 96004317 MCTSHKWZVNOZHG-LLVKDONJSA-N 319.351 3.767 0 40 DHAB COc1ccc(CN2CCC3(CCCN3CC3CC3)CC2)cc1 96049300 KMKXMLDEYXJRKW-UHFFFAOYSA-N 314.473 3.536 0 40 DHAB Cc1ccc2c(-c3cc4c(CO)cnc(C)c4o3)cc(=O)oc2c1 96116292 AHNREGMNVWUHJB-UHFFFAOYSA-N 321.332 3.710 0 40 DHAB biogenic CC(C)c1ccc(NC(=O)CCCc2nnc3ccccn23)cc1 96118157 DLDZOCHZZCUJMZ-UHFFFAOYSA-N 322.412 3.814 0 40 DHAB Cc1cc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)no1 96433675 YMMDFSXOLJAMBY-CYBMUJFWSA-N 317.414 3.629 0 40 DHAB C[C@@H](NC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1csc(C2CC2)n1 96440224 MYEIZRAJFXYJOM-BNOWGMLFSA-N 317.458 3.689 0 40 DHAB Cc1ccc(CC(=O)N2CCC(=Cc3ccccc3)CC2)cn1 96454725 DZHJYJQCXLQNPB-UHFFFAOYSA-N 306.409 3.639 0 40 DHAB COC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C)o3)s2)C1 97081278 QWKLKCQJLLQPPQ-CYBMUJFWSA-N 319.426 3.815 0 40 DHAB COCc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C)o2)o1 97147905 CJHSMLLZJVHDNC-DZZUKKPASA-N 315.369 3.704 0 40 DHAB Clc1ccc(CN2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100637960 IMWQSUXPHZJAIV-NUJGCVRESA-N 304.865 3.646 0 40 DHAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113953949 IHLZCRDMLLYZEF-UXOAXIEHSA-N 307.821 3.802 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)NCCSC1CCCC1 222944426 BBCMZGMSTYMRSZ-AWEZNQCLSA-N 321.486 3.808 0 40 DHAB CCc1ccc(CC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 223019472 OZLWYUWDZMNGSN-INIZCTEOSA-N 311.425 3.684 0 40 DHAB Cc1ccc(SCCNC(=O)CCc2ccc(F)cc2)cc1 225041802 YBZWUFWNSRYIIW-UHFFFAOYSA-N 317.429 3.975 0 40 DHAB CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1C 225404478 VEZJXEUURJHGAD-MRXNPFEDSA-N 311.381 3.647 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccccc1 225579893 QTBIZHCIPOCXGR-INIZCTEOSA-N 305.491 3.628 0 40 DHAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@H]1CN1CCCC[C@H]1C 247993195 BMQMLQFXJOOBME-WBMJQRKESA-N 319.836 3.553 0 40 DHAB O=C(CSc1nc(O)c2ccsc2n1)c1ccc(F)cc1 408597840 GOBNFGFYXWIACK-UHFFFAOYSA-N 320.370 3.511 0 40 DHAB O=C([C@@H](c1cccnc1)C1CCCCC1)N1CCCSCC1 585140227 AJNGESJMWGHLHE-QGZVFWFLSA-N 318.486 3.711 0 40 DHAB COc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 70639 OHBZXBNHGAAVHG-DHDCSXOGSA-N 313.740 3.693 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@]12O[C@@H]2c1ccc(Cl)cc1 152919 MYNCDMBDBDYXHG-WBVHZDCISA-N 312.756 3.573 0 40 DHAB O=C(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 568366 NWQOMKYUGTVFSP-UHFFFAOYSA-N 309.243 3.686 0 40 DHAB CCCCC(=O)Nc1cccc(C(=O)Nc2cc(C)ccn2)c1 2073564 XHQUPLWPTYDQCT-UHFFFAOYSA-N 311.385 3.771 0 40 DHAB O=C(c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F 3215384 VMJWGXORNRMRTD-UHFFFAOYSA-N 302.692 3.760 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 4019332 DBXPNVANMQOOSH-XXHBBNRNSA-N 310.180 3.529 0 40 DHAB COc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C)cc23)c1 4313288 LRUQNFKASIRQIR-LPHOPBHVSA-N 324.380 3.773 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCC1=CCCCC1 5251488 VCDKSVQKSIXTMQ-UHFFFAOYSA-N 320.820 3.594 0 40 DHAB COc1ccc(C(=O)O)cc1NC(=O)Nc1cccc(Cl)c1 6170655 KZWCPELIPBADLO-UHFFFAOYSA-N 320.732 3.691 0 40 DHAB O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)c1ccco1 6829189 QMFDSGYHWUHEBQ-UHFFFAOYSA-N 311.385 3.654 0 40 DHAB CCOc1ccccc1NC(=O)c1ccc(OC)c(OCC)c1 7310725 CWBYZAJQUJZWES-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H](C)CC 8714746 QFLJLAGKMSWZJJ-LLVKDONJSA-N 319.854 3.514 0 40 DHAB CCc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)[nH]1 11714723 GLNUITBFBWGQEF-SNVBAGLBSA-N 314.414 3.520 0 40 DHAB Cc1c(C)n(C[C@H](O)CNC(C)(C)C)c2c(Cl)cccc12 12421917 RVYFDHOEULQXRL-CYBMUJFWSA-N 308.853 3.661 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1C 12773647 NOYSFEFMTNQBIX-OAHLLOKOSA-N 312.344 3.507 0 40 DHAB CCc1ccc([C@H](CNc2cnc3ccccc3n2)N(C)C)cc1 12789993 IBSFYKRVRYMIIT-IBGZPJMESA-N 320.440 3.907 0 40 DHAB Cc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1C 12798723 GIYILWJNPKZXGH-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3F)o2)cs1 14159310 ZFNGNIMDCWLUTG-UHFFFAOYSA-N 316.357 3.781 0 40 DHAB Cc1cc(OCC(=O)N[C@@H](C)c2cccs2)ccc1Cl 14602961 WINGIOPJCPVHRW-NSHDSACASA-N 309.818 3.966 0 40 DHAB O=C(O[C@H]1CCC[C@H]1OC(=O)c1ccccc1)c1ccccc1 18285709 RVLSTMZYTRSDJL-CALCHBBNSA-N 310.349 3.622 0 40 DHAB CN1CCC[C@H]1c1cc2cccnc2n1Cc1ccc(F)cc1 19588705 JUESPYYZNLGUEB-KRWDZBQOSA-N 309.388 3.990 0 40 DHAB CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 20454033 ATFWDJOUUNAWPC-SFHVURJKSA-N 317.454 3.893 0 40 DHAB COc1ccc2c(ccn2CC(=O)Nc2ccc3[nH]ccc3c2)c1 20720180 DQMXEOSRMWBLIV-UHFFFAOYSA-N 319.364 3.770 0 40 DHAB COc1cccc(-c2nc(Cl)n(-c3ccc(F)cc3)n2)c1 22125425 RKNGPCZMCXFVEA-UHFFFAOYSA-N 303.724 3.735 0 40 DHAB C[C@@H]1CN([C@H](C)c2nc3ccccc3n2C(F)F)C[C@@H](C)O1 23016459 WBWROZJWISAZMY-IJLUTSLNSA-N 309.360 3.602 0 40 DHAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCc2ccccc2C1 23805922 FWOGMAKTQSNNFX-ZDUSSCGKSA-N 323.371 3.995 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 23864216 XQKWUFVWEBZNTG-SNVBAGLBSA-N 313.781 3.519 0 40 DHAB CC(=O)c1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1 24150786 CGOYUVMDGHSVMH-UHFFFAOYSA-N 317.385 3.643 0 40 DHAB CCOC(=O)c1cc2cc(C(=O)N(C)c3ccccc3)ccc2[nH]1 24482767 GOACKFPKPSESGR-UHFFFAOYSA-N 322.364 3.621 0 40 DHAB Cc1cc(COC(=O)C2c3ccccc3Oc3ccccc32)on1 25400773 QYIPLVFZNIFAIQ-UHFFFAOYSA-N 321.332 3.964 0 40 DHAB CCCCCCOc1ccc(C(=O)Nc2nonc2C)cc1 27662820 HHFBAEFCSNRVKD-UHFFFAOYSA-N 303.362 3.589 0 40 DHAB CCOc1ccc(-c2nc3cc(C)ccn3c2CN(C)C)cc1 31933073 NJSHAURKNAEZHN-UHFFFAOYSA-N 309.413 3.770 0 40 DHAB C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(Cl)s1 33192588 QHTPIBHJDCACMA-JOYOIKCWSA-N 307.802 3.582 0 40 DHAB Cc1ccccc1C(=O)c1ccc(I)cc1 34976621 FSXKCMMRABVKHA-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB CC(C)(C)NCc1nn(Cc2ccccc2)nc1-c1ccccc1 35287299 SFQFTLNSMRJAGX-UHFFFAOYSA-N 320.440 3.882 0 40 DHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(Cl)ccn1 37108979 MDZLUCKVBAPTGR-UHFFFAOYSA-N 315.804 3.896 0 40 DHAB Cc1cccc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)c1 40174589 CDOVRTWQOLZHLY-UHFFFAOYSA-N 321.409 3.949 0 40 DHAB O=C1c2cccc3cccc(c23)N1C[C@H](O)c1ccccc1F 40501841 UMVWNSNQUJTDME-KRWDZBQOSA-N 307.324 3.673 0 40 DHAB CSc1ccccc1C(=O)NCc1ccc(-n2ccnc2)cc1 44884569 UBOHXMQXAPVTDA-UHFFFAOYSA-N 323.421 3.524 0 40 DHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 48065945 ARQREOITWQMFAU-ZHZWZMEUSA-N 316.401 3.527 0 40 DHAB Cc1ccc(CC(=O)N(Cc2ccc(C)s2)C(C)C)cn1 57402091 WMWBIQGGOYUKNL-UHFFFAOYSA-N 302.443 3.740 0 40 DHAB O=C(Nc1n[nH]c2cccc(F)c12)c1ccc2ccccc2n1 58165874 PRGDUQSCSFQVQA-UHFFFAOYSA-N 306.300 3.503 0 40 DHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCO[C@H](c2ccccc2)C1 58168679 NEXDEUHXRIABAH-ZFWWWQNUSA-N 315.417 3.502 0 40 DHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C)n1 58326620 ZRGMFNLXEBFBHC-AEFFLSMTSA-N 309.413 3.583 0 40 DHAB CCOc1ccc(Cl)cc1C(=O)Nc1cccc(OC)c1 59313399 FRAXLIBIWPYDGX-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB C[C@@H]([C@@H](C)NCc1cnc(-c2ccccc2)s1)n1cccn1 69418070 ZLZVEJZFASRVEB-KGLIPLIRSA-N 312.442 3.746 0 40 DHAB Cc1nc(CNCc2csc(-c3cccs3)n2)cs1 71799214 FCUYQUBSJRTOAV-UHFFFAOYSA-N 307.469 3.926 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](CSCc2ccccn2)C1 79440890 SMVUZOPZDHZCPB-CQSZACIVSA-N 322.474 3.962 0 40 DHAB O=c1onc(-c2cccs2)n1Cc1cccc2ccccc12 84598517 HRPVHUPVQPULQO-UHFFFAOYSA-N 308.362 3.766 0 40 DHAB CS[C@@H]1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2O)C1 89334755 JJOXEIHRCVICTO-VHSXEESVSA-N 317.813 3.541 0 40 DHAB CCN(C)c1ccc(C(=O)Nc2cccc3ncccc23)cc1 95393359 SBQSGRBPEBVXRP-UHFFFAOYSA-N 305.381 3.943 0 40 DHAB c1ccc(CCCN2CCCN(C3CCCCC3)CC2)cc1 95455304 CKSAWDMDVLONGB-UHFFFAOYSA-N 300.490 3.960 0 40 DHAB Clc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1Cl 95459517 WPYXOBZUBNQDCK-LBPRGKRZSA-N 316.228 3.769 0 40 DHAB CC(=O)c1ccc(NC(=O)CCc2ccncc2)cc1Cl 96011075 OZVJBSNMMFMDQK-UHFFFAOYSA-N 302.761 3.509 0 40 DHAB COC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C(C)C 96318790 ARWDNIJVYSYEIP-UHFFFAOYSA-N 315.398 3.700 0 40 DHAB CNC(=O)Cc1nc(CS[C@@H](C)c2ccccc2F)cs1 96444647 RYILDSFOIZPILE-JTQLQIEISA-N 324.446 3.565 0 40 DHAB CC[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96518067 BJZNNHNKUDXPGT-KRWDZBQOSA-N 316.422 3.750 0 40 DHAB CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@@H]2C)N(CCC(C)C)C1=O 104130077 QTRVLQKYYQBXGS-LBTBCDHLSA-N 306.494 3.952 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC(Nc2ccc(F)cc2)CC1 106529943 QGOPIVLZBVQNQP-SUNYJGFJSA-N 316.420 3.665 0 40 DHAB N[C@H](CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 195544196 WTHPQIOYMMPMPY-MSOLQXFVSA-N 312.388 3.579 0 40 DHAB Cc1ccc(CCC(=O)NCCCN2CCCCCC2)cc1C 225769797 QUXNJZWFAHBGGA-UHFFFAOYSA-N 316.489 3.618 0 40 DHAB O=C(COc1cccc(C(F)(F)F)c1)NC1CCCCCC1 225810590 SFCRXSPAEABVJG-UHFFFAOYSA-N 315.335 3.923 0 40 DHAB Cc1cnc(NC(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)s1 227165899 GQTCLSSPWKXBAU-GFCCVEGCSA-N 312.398 3.515 0 40 DHAB CCOC(=O)c1cn2cc(-c3cccc(Cl)c3)sc2n1 228970707 HPVZNRLLKJSAKE-UHFFFAOYSA-N 306.774 3.893 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@@H]1c1ccncn1 257239491 HPMTZZZPRCWZHR-CQSZACIVSA-N 309.394 3.669 0 40 DHAB COC(=O)CCCC(=O)c1cc(OC)c(Cl)cc1Cl 575361629 ZZIWXIWFTASCRT-UHFFFAOYSA-N 305.157 3.528 0 40 DHAB Cc1noc(C)c1-c1ccc(CNC(=O)Nc2cccs2)o1 1888982164 AMTALPSFWVBLIV-UHFFFAOYSA-N 317.370 3.935 0 40 DHAB O=C(Nc1ncccn1)[C@@H](Sc1ccccc1)c1ccccc1 168359 OGMTYYMYIJQLGK-INIZCTEOSA-N 321.405 3.949 0 40 DHAB COc1ccc(NC(=O)c2ccccc2F)cc1Br 570586 WBYIOTMACLKATL-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB Cc1[nH]c2ccccc2c1SCC(=O)Nc1nccs1 2718336 VGDLUEGDBRKNKL-UHFFFAOYSA-N 303.412 3.664 0 40 DHAB CCC[C@H](C)C(=O)OCC(=O)Nc1nc2ccc(C)cc2s1 3239564 KMMWECJVSCYMCK-NSHDSACASA-N 320.414 3.523 0 40 DHAB COc1ccc2nc(SCc3cn4ccccc4n3)[nH]c2c1 4252309 ZMMJEKFXMAEUMK-UHFFFAOYSA-N 310.382 3.512 0 40 DHAB C[C@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 4353239 KNJHGAIWASQHSB-RBPQIDMKSA-N 312.365 3.603 0 40 DHAB CCCCOc1ccc(Br)cc1CSC(=N)N 4364450 AOFTWMZIZMOCQH-UHFFFAOYSA-N 317.252 3.755 0 40 DHAB CCCCSc1nc(COc2ccc(Cl)cc2)cc(=O)[nH]1 4625647 ISMICKKPUKFFBE-UHFFFAOYSA-N 324.833 3.895 0 40 DHAB CCCCCNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 4696136 XPJULIWKUBVMNQ-UHFFFAOYSA-N 323.433 3.803 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1 6305434 NJQBXNUHWCDCRQ-GFCCVEGCSA-N 321.779 3.605 0 40 DHAB Cc1ccc2nc(CSc3nnc(-c4ccco4)o3)cn2c1 6371220 LQNDAKBUAHRIED-UHFFFAOYSA-N 312.354 3.578 0 40 DHAB COc1cc(OC)c(OC)cc1CNCc1ccccc1Cl 8469648 GUIFOCIBWBKFKP-UHFFFAOYSA-N 321.804 3.656 0 40 DHAB O=C(Nc1nccs1)c1cc2cc(Br)ccc2o1 9184505 RGBZNGJEMBSJNG-UHFFFAOYSA-N 323.171 3.904 0 40 DHAB CC(C)Cc1csc2nc(SCCCN(C)C)nc(N)c12 12324612 WJVYAYUZLUQEJX-UHFFFAOYSA-N 324.519 3.516 0 40 DHAB Cc1cc(C)c(C(=O)CSc2ncccc2C(=O)O)c(C)c1 12445034 SCLREWYMUSJDKP-UHFFFAOYSA-N 315.394 3.680 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2[nH]1 12586629 UDHCDCIVGAOLDY-GFCCVEGCSA-N 323.421 3.633 0 40 DHAB CC(C)CCNC(=O)CSc1nc2cc(Cl)ccc2o1 12986738 JUGXGHKZNRURBS-UHFFFAOYSA-N 312.822 3.736 0 40 DHAB CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 13095067 SITLZIBNIAKSRT-UHFFFAOYSA-N 313.353 3.816 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc(F)cc1 14738035 GRPPYYGNSDPPFX-GJZGRUSLSA-N 315.388 3.731 0 40 DHAB Cc1nc2ccccc2nc1COc1ccc(/C=C/C(=O)O)cc1 16265293 YGNQVHLHLQHAJU-DHZHZOJOSA-N 320.348 3.615 0 40 DHAB CC(=O)Oc1ccccc1-c1cc2c(C)nc3ccccc3n2n1 16266579 GKSCYSKIBXWCOH-UHFFFAOYSA-N 317.348 3.783 0 40 DHAB CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-c2ccc(F)cc2)o1 24098444 UOZNOZJXECFOEX-SFHVURJKSA-N 322.339 3.964 0 40 DHAB Cc1nc(NC(=O)CCc2nc3ccccc3s2)sc1C 24247774 QLCBMZFWUWKPIX-UHFFFAOYSA-N 317.439 3.941 0 40 DHAB Cc1cccc(C)c1NC(=O)C[C@H](C(=O)O)c1ccc(F)cc1 24837103 ZVODVXPEDOPOOL-HNNXBMFYSA-N 315.344 3.640 0 40 DHAB O=C(Cn1ccc2ccccc21)Nc1cc(Cl)ccc1O 26103044 RVUNQQYXXQUDLB-UHFFFAOYSA-N 300.745 3.639 0 40 DHAB Cc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)s1 27920616 MEGUJEBJSLWWNZ-UHFFFAOYSA-N 315.373 3.693 0 40 DHAB CCCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 29514220 XOGXCLZWZJLIDC-UHFFFAOYSA-N 306.793 3.844 0 40 DHAB CC(=O)Nc1ccc(SCC[S@](=O)c2ccccc2)cc1 32931603 AOFHLUIPYQCCTA-OAQYLSRUSA-N 319.451 3.545 0 40 DHAB Cc1cc(C(=O)NCc2cc(-c3ccccc3F)on2)c(C)o1 38754311 HBEDRWYMOVACGA-UHFFFAOYSA-N 314.316 3.621 0 40 DHAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 38832814 WRNMXHAPFJPEKZ-YLJYHZDGSA-N 322.452 3.776 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(Cl)cc1F 40108301 RPZONSCKJKFWAF-ABAIWWIYSA-N 313.800 3.804 0 40 DHAB Cc1cc(N(C)C)ccc1NC(=O)[C@@H](C)n1cnc2ccccc21 40111654 LSZILTNYPKQNST-CQSZACIVSA-N 322.412 3.610 0 40 DHAB COc1ccc(CN(C)Cc2ccccc2Cl)cc1OC 40161832 SAGAQVXAMDRNKU-UHFFFAOYSA-N 305.805 3.989 0 40 DHAB C[C@@H](NC(=O)Nc1ccccn1)c1ccc(C(F)(F)F)cc1 45625269 FBZGEZOXVFMLGK-SNVBAGLBSA-N 309.291 3.983 0 40 DHAB O=C(NCc1ccc(N2CCCCCC2)nc1)C1CCCCC1 48935563 ZVRNSBGRMLSASJ-UHFFFAOYSA-N 315.461 3.659 0 40 DHAB CSCC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 53988248 UOLHCOUCXCRGNI-UHFFFAOYSA-N 324.833 3.550 0 40 DHAB C[C@]1(C(=O)N2CCCc3cc(F)ccc32)CC1(Cl)Cl 58087446 WBOKXVOIMZQRIS-CYBMUJFWSA-N 302.176 3.689 0 40 DHAB CC(C)CC(=O)N(C)CCCc1cc(-c2ccccc2)no1 58424067 IXDHJRVKLKPTHH-UHFFFAOYSA-N 300.402 3.779 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)N(CC)[C@@H](C)C(C)C)c1 67663958 VIEKDIPPKXYLPX-ZDUSSCGKSA-N 305.422 3.933 0 40 DHAB c1cc(COC2CCCCC2)ccc1CCCN1CCOCC1 68606110 ZTPVQWSITZDCKJ-UHFFFAOYSA-N 317.473 3.801 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)o1 71916146 IBYYDXCBTMSXRX-ZDUSSCGKSA-N 318.348 3.570 0 40 DHAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)cnc1N(C)C 72218656 KTBGJOMISICZLX-SFHVURJKSA-N 323.440 3.823 0 40 DHAB CC[C@@H]1CCCN(C(=O)c2ccc(CN3CCCCC3)s2)C1 72307017 NIGGZDINOBZLBW-OAHLLOKOSA-N 320.502 3.996 0 40 DHAB CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)[C@H](C)c1cccc(O)c1 72311481 VZEOSXCREMJPFX-HDMKZQKVSA-N 319.445 3.897 0 40 DHAB CCc1noc([C@H]2CCCCN2Cc2cc(F)cc(F)c2)n1 72329920 DTCMCTSEIXQZHY-CQSZACIVSA-N 307.344 3.637 0 40 DHAB COc1ccccc1-c1cc(CC[C@H]2CCCN2C(C)=O)ccn1 72365800 ACWSIEPQNZGEPH-QGZVFWFLSA-N 324.424 3.701 0 40 DHAB c1cc([C@@H]2CCCN(C3CCCCC3)C2)nc(-n2ccnc2)c1 72378709 QLLSBISZAZPDDY-MRXNPFEDSA-N 310.445 3.779 0 40 DHAB FC(F)(F)c1ccccc1CNCCCNc1ccncc1 75107975 MWUJLKAEYYATTG-UHFFFAOYSA-N 309.335 3.692 0 40 DHAB C[C@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 79438545 CPRORZXBJYSPNC-LSDHHAIUSA-N 319.449 3.522 0 40 DHAB O=C(CC1(O)CCCCC1)NC1(c2cccc(Cl)c2)CC1 81443435 DYPPFDVATYKRAM-UHFFFAOYSA-N 307.821 3.531 0 40 DHAB Cc1cc(C[S@@](=O)[C@H](C)c2ccc(OC(F)F)cc2)no1 84117173 KIFQRCFILKXXFM-UZJPJQLHSA-N 315.341 3.594 0 40 DHAB CC(C)C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1cccs1 84509994 UPPVCOWCOHBWQW-AWEZNQCLSA-N 314.414 3.537 0 40 DHAB CCc1ccc(CNc2cccc(Cn3nc(C)nc3C)c2)o1 89286786 RRLZSSRBMBYITR-UHFFFAOYSA-N 310.401 3.711 0 40 DHAB Cc1cccc(-c2nc(C)nn2CC(=O)Nc2ccccc2C)c1 89678033 ISMMWSARLLFRLL-UHFFFAOYSA-N 320.396 3.509 0 40 DHAB c1cc(CN[C@H]2CCSc3ccccc32)cc(-c2nnc[nH]2)c1 89730874 BXAZTNFUQIWDLW-INIZCTEOSA-N 322.437 3.798 0 40 DHAB CCOC(COc1ccc(C)cc1Br)OCC 95202024 QNIJPTZAEITBBE-UHFFFAOYSA-N 303.196 3.535 0 40 DHAB CC[C@@H](NC1CCN(Cc2ccccc2)CC1)c1ccncc1 95423139 MWNBNBQKNRXTND-HXUWFJFHSA-N 309.457 3.787 0 40 DHAB Cc1nc(CNC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)oc1C 95434391 STCXTPSINCTZNT-BZNIZROVSA-N 313.401 3.729 0 40 DHAB CCC(CC)(NC(=O)[C@@H]1CCCOC1)c1ccc(Cl)cc1 95946640 URPQNBJRCYNYQV-CYBMUJFWSA-N 309.837 3.898 0 40 DHAB Cc1noc(C(C)C)c1C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 95956156 GMKUJBOXASNPAL-KGLIPLIRSA-N 302.349 3.531 0 40 DHAB Fc1ccc(C2CC(NCCc3ccc4c(c3)OCO4)C2)cc1 96008898 VESZYBGFYOUHNC-UHFFFAOYSA-N 313.372 3.633 0 40 DHAB NC[C@@H](NC(=O)OCc1ccccc1)c1ccc2ccccc2c1 96295490 ODGSWXASIYSMHB-LJQANCHMSA-N 320.392 3.766 0 40 DHAB CC[C@H](Cc1cccs1)N[C@H](C(=O)OC)c1ccccc1 97143563 SIKGULZRAPRYIX-ZBFHGGJFSA-N 303.427 3.573 0 40 DHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCC1=CCCCC1)CC2=O 100748605 KOICUIWFWHIGGC-RTBURBONSA-N 303.446 3.779 0 40 DHAB CCc1ccccc1N1C(=O)C[C@@H](Nc2cc(C)ccc2C)C1=O 101275661 KCCDTHIYPFATQG-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB O[C@H]1C[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 104150246 AIQYEQPOBADLFA-FKBYEOEOSA-N 314.384 3.969 0 40 DHAB Fc1ccc2c(c1)[C@H](NCc1cccc3cnccc13)CCO2 189584809 PXAUBGGVZMCNLM-GOSISDBHSA-N 308.356 3.987 0 40 DHAB COc1ccc(C[S@@](=O)CC[C@H]2CCCCO2)cc1Cl 195579628 PDQYDVYDEVFPCF-XCLFUZPHSA-N 316.850 3.557 0 40 DHAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccccc2F)c1 216898519 JGFCZPBTLLGHMP-CSKARUKUSA-N 316.328 3.600 0 40 DHAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 222948192 YSOWHLSDGSQCAV-GJZGRUSLSA-N 317.483 3.916 0 40 DHAB CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1 225137430 DYDKHHMDPUYQCY-UHFFFAOYSA-N 321.345 3.592 0 40 DHAB CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)N[C@@H](C)CC 225490914 VTVLMQCEQYBMCG-RDJZCZTQSA-N 318.461 3.509 0 40 DHAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccs1 226254180 RRKZSPIABXXFME-LBPRGKRZSA-N 315.442 3.961 0 40 DHAB Cc1ccccc1CN1CCC[C@@H]1c1cccc(CCC(=O)O)n1 257242353 ICBLUNVWNLNJIN-LJQANCHMSA-N 324.424 3.744 0 40 DHAB Cc1ccsc1C(=O)N1CCC[C@@H]1CCc1ccncc1 257273504 NGVYQKHGHXRNOK-OAHLLOKOSA-N 300.427 3.689 0 40 DHAB CCOCC[C@@H]1CCOC12CCN(CCc1ccccc1)CC2 585103504 BJBUBMJGFJPVBA-LJQANCHMSA-N 317.473 3.527 0 40 DHAB O=C(NC[C@@H](c1ccsc1)c1ccco1)[C@@H]1CC=CCC1 675007815 SETSBGHFFGPKKJ-HIFRSBDPSA-N 301.411 3.946 0 40 DHAB Fc1cc(Cl)ccc1Nc1ncnc2c1ncn2C1CC1 1888910720 YDDWVIYVSBAAMX-UHFFFAOYSA-N 303.728 3.697 0 40 DHAB Cc1ncnc(N2CCN(c3cccc4sccc34)CC2)c1C 2298067720 CGHGMFRHGQPLOD-UHFFFAOYSA-N 324.453 3.635 0 40 DHAB O=S(=O)(c1ccccc1)n1cccc1-c1cc(F)cc(F)c1 2362804914 QTNYYFRGHYJJEQ-UHFFFAOYSA-N 319.332 3.670 0 40 DHAB O=C(CCc1ccccc1)Oc1ccc(Br)cc1 149057 IASQXXRDCNMHFH-UHFFFAOYSA-N 305.171 3.987 0 40 DHAB Cc1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 204147 JFVRFZDJXQZUFH-UHFFFAOYSA-N 316.360 3.747 0 40 DHAB CCN(CC)C(=O)c1sc2nc3c(C)cccc3cc2c1N 419933 BXBGWQVXJLAAAS-UHFFFAOYSA-N 313.426 3.822 0 40 DHAB COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)cc1 422942 BXVXTPNKOBMPNX-KXBFYZLASA-N 324.380 3.773 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 2767254 MCPITIDDFTXSRE-KRWDZBQOSA-N 303.427 3.733 0 40 DHAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccccc1 2963369 DDBHVMCORVDFRX-BEFAXECRSA-N 324.380 3.855 0 40 DHAB CCCCN(CCCC)Cn1nnn(-c2ccccc2)c1=S 3043467 ZWSDDNGFBVYKTB-UHFFFAOYSA-N 319.478 3.658 0 40 DHAB C[C@@H](Cc1ccccc1)NCCCN[C@H](C)Cc1ccccc1 3058775 XDCNUKURGSLYKZ-KDURUIRLSA-N 310.485 3.818 0 40 DHAB C[C@H](Cc1cccs1)NC(=O)COc1ccc(Cl)cc1 3211557 SDEDOVOABWMCIK-LLVKDONJSA-N 309.818 3.528 0 40 DHAB CCOc1ccccc1NC(=O)c1c(Cl)nc2sccn12 3230759 OSEDKSYREBQPOU-UHFFFAOYSA-N 321.789 3.700 0 40 DHAB C[C@@H]1CC[C@](C)(C(=O)COC(=O)Cc2ccccc2)C1(C)C 3846158 YBVCFOOQPVLIPF-AUUYWEPGSA-N 302.414 3.804 0 40 DHAB biogenic CSc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1C 4393777 WJQRLUGLMIUOFJ-UHFFFAOYSA-N 324.409 3.550 0 40 DHAB C[C@@H](Oc1ccccc1)c1nn2c(-c3ccco3)nnc2s1 4938855 LAZCLAKLZYHUQH-SNVBAGLBSA-N 312.354 3.586 0 40 DHAB Cc1cccc(CC(=O)Nc2cccc(N3CCCCC3=O)c2)c1 5441662 FFTWUGOUMOSWHM-UHFFFAOYSA-N 322.408 3.693 0 40 DHAB C[C@H](c1ccccc1)n1c(S)nnc1CCc1ccccc1 6525406 RGSDOGMQFAXKCR-CQSZACIVSA-N 309.438 3.961 0 40 DHAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H]1c1cccs1 6608199 HSOHNJCEFDPKHC-MRXNPFEDSA-N 323.421 3.911 0 40 DHAB O=C(O)[C@@H](c1ccccc1Cl)N1CCc2sccc2C1 6863816 DCASRSISIKYPDD-CQSZACIVSA-N 307.802 3.586 0 40 DHAB biogenic,in-vitro ClC1(Cl)C[C@@H]1CSc1nc(-c2ccccc2)n[nH]1 7294326 WOECJLAAHDUCNI-SECBINFHSA-N 300.214 3.758 0 40 DHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccnc1 8280158 LPONAALLBRKCES-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccccc4)c23)n1 8549373 KBDGHNINQDTISA-UHFFFAOYSA-N 321.409 3.743 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)OCCc1ccccn1 8717099 RRSNSEJSUHNNQD-UHFFFAOYSA-N 310.275 3.892 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)N1CCc2sccc2C1 10035882 GTIKESGZNNALAR-AWEZNQCLSA-N 314.454 3.837 0 40 DHAB COc1cc(CNC(=O)c2ccc(C)cc2)ccc1OC(C)C 10542663 RQHVEZJVTMKOCJ-UHFFFAOYSA-N 313.397 3.721 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccsc2)c1 11438403 SYDIXVPWBUUVHO-CQSZACIVSA-N 302.443 3.824 0 40 DHAB CCOc1ccccc1C(=O)NCc1ccc(OC(F)F)cc1 11510816 SUATXZDGVZIDRT-UHFFFAOYSA-N 321.323 3.617 0 40 DHAB CC(=O)Nc1ccccc1OC(=O)c1ccccc1OC(C)C 12137945 HHDKHXXDDJDJEO-UHFFFAOYSA-N 313.353 3.651 0 40 DHAB CC(C)[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1 12147330 NQXIAFFTSRJSIN-OAHLLOKOSA-N 317.458 3.867 0 40 DHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccncc1 12538761 CTDPBTQIVMHAFD-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB CCCCSc1nnc(SCC(=O)c2ccc[nH]2)s1 12776116 WNXKKWOTVTVXQX-UHFFFAOYSA-N 313.473 3.733 0 40 DHAB COc1ccc(C(=O)Nc2ccc([C@]3(C)CC=NO3)cc2)cc1 12854900 KUDHRQPBDGXRBN-SFHVURJKSA-N 310.353 3.569 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccccc1Cl)c1cccc(F)c1 12945120 QCYOAANQKDRXAH-INIZCTEOSA-N 320.795 3.512 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1Cl 14122341 ASEFEZRYTJSTCD-UHFFFAOYSA-N 308.790 3.541 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1cc(C)cc(C)c1 17970728 KITNAPGUTVFKEL-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN3)n2)cc1 19373155 MMBUHEXFLCDWBH-MRXNPFEDSA-N 317.396 3.707 0 40 DHAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 20485583 KTDFSMQQCDZXIO-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB Cc1ccsc1-c1nnc2sc(-c3cccs3)nn12 20722726 ONRZVPWPDOXSHS-UHFFFAOYSA-N 304.425 3.951 0 40 DHAB CCN1CCN(c2ccc(NC(=O)CC(C)(C)C)c(C)c2)CC1 29375190 VXQDKWOHYAZSPK-UHFFFAOYSA-N 317.477 3.512 0 40 DHAB CC(=O)O[C@@H]1[C@@H](O)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1 31167661 RRGRXDIGPVAQIW-ZRNYENFQSA-N 310.393 3.640 0 40 DHAB biogenic,in-vitro Cc1ccc(C(C)C)c(OC[C@H](O)CN(C(C)C)C(C)C)c1 32594534 YRIJERDLQWQKAS-QGZVFWFLSA-N 307.478 3.977 0 40 DHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)c1 34916281 RBAQTISNVDTOPN-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CCCCOCCCNC(=O)Nc1ccccc1N1CCCC1 40103782 VZPFGNUZSVLMJU-UHFFFAOYSA-N 319.449 3.615 0 40 DHAB COc1ccc([C@@H](O)c2ccc(Br)cc2)cc1F 40262869 KAWTWMIVSWFCAX-AWEZNQCLSA-N 311.150 3.679 0 40 DHAB Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)on1 41893735 KIURYTYOCAKGRX-IINYFYTJSA-N 300.358 3.504 0 40 DHAB c1ccc(-c2nc(CN3CCc4sccc4C3)cs2)nc1 44895379 ROXLCRGZVICGDK-UHFFFAOYSA-N 313.451 3.825 0 40 DHAB CC(C)(C)c1nc(CN(Cc2ccco2)Cc2ccco2)no1 45810455 GKDBOSADCQWFDN-UHFFFAOYSA-N 315.373 3.756 0 40 DHAB NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 45887480 XFMHQJIEXODSTQ-UHFFFAOYSA-N 303.774 3.804 0 40 DHAB CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@H]1c1ccccc1 50128884 XQBBRDUZCXRARK-HNNXBMFYSA-N 314.410 3.845 0 40 DHAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2cc(C)n[nH]2)c(C)c1 54005182 NKDRTOPAKSZXFS-UHFFFAOYSA-N 313.401 3.635 0 40 DHAB CCOC(=O)N(C)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 54313395 XZOBEHNVQNHIDL-ZDUSSCGKSA-N 302.374 3.574 0 40 DHAB COc1ccc(N)cc1NC(=O)c1cc2ccccc2cc1OC 57340153 DTPJSCVOKPTDKN-UHFFFAOYSA-N 322.364 3.692 0 40 DHAB c1ccc2c(OCCN3CCC(N4CCCC4)CC3)cccc2c1 65041073 MXRYNBWFQGRPNZ-UHFFFAOYSA-N 324.468 3.779 0 40 DHAB COc1cccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 71831344 AZXPKJXHOOBHTQ-HNNXBMFYSA-N 324.424 3.673 0 40 DHAB O=c1[nH]c(CSCc2ccco2)nc2ccc(Cl)cc12 72969711 QVQBLQLEQFIITC-UHFFFAOYSA-N 306.774 3.603 0 40 DHAB CCN(C(=O)c1ccnc(C)n1)[C@@H](Cc1ccc(C)cc1)C1CC1 75147840 NLHAKTMVXHFBPN-IBGZPJMESA-N 323.440 3.577 0 40 DHAB Cc1ccc(C)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1 75572693 FRDHPEGCYCLAQT-UHFFFAOYSA-N 318.461 3.746 0 40 DHAB COC(=O)c1ccc(OC(=O)C2(CC(C)C)CCC2)c(OC)c1 79094681 KOKLQLATCXMICD-UHFFFAOYSA-N 320.385 3.604 0 40 DHAB O=C(Nc1c(F)cc(F)cc1F)N1CCCC[C@@H]1c1ncc[nH]1 88391615 DDPHXFIGCBERGG-GFCCVEGCSA-N 324.306 3.586 0 40 DHAB Cc1ccc(NC(=O)c2ncoc2[C@@H]2CCCO2)c2cccnc12 95397444 YFXKEFZCSLKUAB-AWEZNQCLSA-N 323.352 3.635 0 40 DHAB C[C@H]1C[C@@H](NCCCc2cnn(C)c2)c2ccccc2S1 95421669 GENVDDMUZVGLPL-XJKSGUPXSA-N 301.459 3.568 0 40 DHAB O=C(Nc1cc(NCc2ncc[nH]2)ccc1F)C1CCCCC1 95447267 WRLCTHHSPLGCAS-UHFFFAOYSA-N 316.380 3.680 0 40 DHAB CS[C@H]1CC[C@@H](NCc2c(C3CC3)nc3sccn23)C1 96494371 KZVRWVVVBBOMBH-NEPJUHHUSA-N 307.488 3.647 0 40 DHAB S=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)N[C@@H]1CCCc2ccccc21 100999061 FPTCJJAESGOLQE-WNOSKKOXSA-N 300.471 3.717 0 40 DHAB CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(CC)c1 113971105 SOHWWJQAVGJOGM-UHFFFAOYSA-N 319.426 3.621 0 40 DHAB COc1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1CO 129336944 GNWCTCKMGOZKTK-NEPJUHHUSA-N 303.324 3.721 0 40 DHAB CCCNC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224118342 PKAYMLLZVZAGIK-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)c1ncccc1OCC(F)F 225733060 YINPDNCSKXCHSU-GFCCVEGCSA-N 320.339 3.559 0 40 DHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(C)cc2C)cc1 225734959 GXKPWRHFZIFXSL-HNNXBMFYSA-N 313.397 3.509 0 40 DHAB Nc1cc(NC(=O)c2cccs2)ccc1N1CCCCC1 226263132 MMDKLKLTZZYJLQ-UHFFFAOYSA-N 301.415 3.573 0 40 DHAB Cc1cncc([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)n1 257202725 ANBSQHULRGGSTG-HNNXBMFYSA-N 323.421 3.977 0 40 DHAB COc1cccc(SC)c1NC(=O)CCc1c(C)noc1C 416118947 CYXYHSCGNXRPSO-UHFFFAOYSA-N 320.414 3.593 0 40 DHAB c1ccc(-c2cc(CN[C@@H](c3cccnc3)C3CC3)[nH]n2)cc1 533921510 RWVRHHHJQFZROV-LJQANCHMSA-N 304.397 3.713 0 40 DHAB CCc1nc(CN(C)Cc2c(Cl)cccc2C(=O)O)cs1 576114591 YDXJDAZSPRYHIZ-UHFFFAOYSA-N 324.833 3.689 0 40 DHAB COc1cccc([C@H]2CCCN2Cc2cc(C)c(C(=O)O)o2)c1 577736970 DBDLDQJUNXCIRQ-MRXNPFEDSA-N 315.369 3.632 0 40 DHAB FC(F)(F)COc1cnc2c(Br)cccc2c1 685937271 FRNFIJDYRYROFO-UHFFFAOYSA-N 306.081 3.938 0 40 DHAB CCOc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 491561 HBLHUGYXNHNVHY-UHFFFAOYSA-N 314.410 3.521 0 40 DHAB CCOc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2ncnn21 523992 IVRXOQCOHPCQKZ-IAGOWNOFSA-N 320.396 3.823 0 40 DHAB CC(C)C(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 2733985 UBJHLDWLWPIFMO-CQSZACIVSA-N 310.397 3.772 0 40 DHAB CCc1ccc(-n2c(S)nnc2COc2ccccc2)cc1 4619652 QUIBWZHLFXEUNI-UHFFFAOYSA-N 311.410 3.697 0 40 DHAB Cc1cccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c1 4678418 RQMXXXUVQJLPQE-UHFFFAOYSA-N 321.380 3.736 0 40 DHAB O=C(COc1ccccc1-c1ccccc1)Nc1nccs1 5575494 GLHMWBLHJRICHV-UHFFFAOYSA-N 310.378 3.828 0 40 DHAB N=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)S1 5649273 VHHXWTOCMOIJQC-SDQBBNPISA-N 322.748 3.878 0 40 DHAB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)NC1CCCC1 6970386 HSZKFKXAQZSEHN-VKAVYKQESA-N 323.440 3.643 0 40 DHAB Cc1ccc2nc(CSC/C=C/c3ccccc3)cc(=O)n2c1 7145561 YUKMNXCSPHMSNG-VMPITWQZSA-N 322.433 3.950 0 40 DHAB COc1ccccc1/C=C/[C@H]1Nc2ccccc2C(=O)N1C1CC1 7885920 ZIXGKHGXCQWXNH-QHSLDKKCSA-N 320.392 3.765 0 40 DHAB CCOc1c(Cl)cc(C(=O)Nc2ccnc(C)c2)cc1OC 9367694 QHTRRTQVJHPODK-UHFFFAOYSA-N 320.776 3.703 0 40 DHAB CC(C)(C)c1cc(NC(=O)CSc2ccc(F)cc2)on1 9996070 GWZZIJOQWBJRPY-UHFFFAOYSA-N 308.378 3.842 0 40 DHAB Cc1cc(C(=O)Nc2ccc(F)cc2)c2cnn(C(C)C)c2n1 10808783 DELIHSNCSKMNBB-UHFFFAOYSA-N 312.348 3.712 0 40 DHAB CCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 11667324 VPEYATNMDHOKSI-CYBMUJFWSA-N 311.385 3.920 0 40 DHAB O=C(CCCNC(=O)c1cccs1)Nc1cccc(Cl)c1 12888449 CSZGFIWASOIYKM-UHFFFAOYSA-N 322.817 3.550 0 40 DHAB CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2Cc3ccccc3O2)cc1 12972258 VGPXVQOXOGWPJU-AUUYWEPGSA-N 309.409 3.991 0 40 DHAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(F)cc2)Nc2ncnn21 13127536 NHQDZHCDOHTKCQ-HOTGVXAUSA-N 324.359 3.572 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Br)cs2)C1 13746787 ZYEBNDNOIQJAKR-RKDXNWHRSA-N 302.237 3.629 0 40 DHAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 14084890 BSPVXLFAZJERBJ-UHFFFAOYSA-N 322.817 3.792 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 17355879 KFHQQFMTVMUFSL-XUXNNNHQSA-N 314.429 3.552 0 40 DHAB CCC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccccc1 18135138 QHFPDTVOZRAILI-IBGZPJMESA-N 324.424 3.845 0 40 DHAB Cc1cccc(OCCCNC(=O)Nc2ccc(F)cc2)c1 18177512 RYKJDPIORKKAJT-UHFFFAOYSA-N 302.349 3.725 0 40 DHAB Cc1ccccc1OCCn1c(=N)n(C(C)C)c2ccccc21 19900372 XBQBYTWSYOGSQK-UHFFFAOYSA-N 309.413 3.891 0 40 DHAB N[C@@H](c1ccc(Cl)cc1)[P@](=O)(O)CCc1ccccc1 20533282 UKCIVEWGLUPHHP-OAHLLOKOSA-N 309.733 3.810 0 40 DHAB CN(C)CCNCC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 20548460 SJTZTKSEPKJZMN-OALUTQOASA-N 318.505 3.517 0 40 DHAB O=C(Oc1ccc(F)cc1)C1=C(c2ccccc2)SCCO1 20726606 YAVBVLKPLDWBSX-UHFFFAOYSA-N 316.353 3.863 0 40 DHAB CC(C)c1nc2cc(N[C@@H](C(N)=O)c3ccccc3)ccc2o1 27044964 KMVQBTCTWIALRK-MRXNPFEDSA-N 309.369 3.590 0 40 DHAB COC[C@@H](C)NC(=O)/C=C/c1ccc(-c2ccccc2F)s1 29602718 VZCADFOQANUJDR-ZJNQMXKESA-N 319.401 3.719 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1 31906836 CXIJJQKIGDHKNN-UHFFFAOYSA-N 324.384 3.768 0 40 DHAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC(C)(C)C 32601759 RQEMBXGAPBIZKK-UHFFFAOYSA-N 313.463 3.594 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1ccc(F)cc1 32913609 FYANSQRGUGRSHO-LBPRGKRZSA-N 310.328 3.972 0 40 DHAB C[C@](O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 38876091 ZEMRSQHDAGIOTD-FQEVSTJZSA-N 304.389 3.830 0 40 DHAB COc1ccc(C2=CCN(C(=O)c3ccccc3F)CC2)cc1 40119710 FSRAZHSGBZTJGE-UHFFFAOYSA-N 311.356 3.764 0 40 DHAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1nncs1 40525262 DOXCSGCARSHMFH-UHFFFAOYSA-N 317.201 3.509 0 40 DHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccn2)c1 45584593 XKLZXVRAFJGWRR-HNNXBMFYSA-N 312.413 3.597 0 40 DHAB CCN(CC)CC1CCN(C(=O)c2ccccc2Cl)CC1 49077124 UUFXSHJGGDNKFJ-UHFFFAOYSA-N 308.853 3.534 0 40 DHAB COc1ccc(OC)c(NC(=O)Nc2cccc(F)c2C)c1 51354499 SSZARRPQGRYRBK-UHFFFAOYSA-N 304.321 3.795 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)N1CCN(c2ccccc2)CC1 54065745 XTLCCHZMEFWUGD-QGZVFWFLSA-N 323.440 3.588 0 40 DHAB CC(C)(C)c1ccc2cc(C(=O)NO[C@@H]3CCCCO3)[nH]c2c1 62581558 OOQBRABPLCSXED-MRXNPFEDSA-N 316.401 3.653 0 40 DHAB Cc1cccc(C2(NC(=O)c3ccc4c(c3)OCO4)CCCC2)c1 65613851 HMFVBJZLJPXBDS-UHFFFAOYSA-N 323.392 3.923 0 40 DHAB CC(=O)c1cccc2cc([C@H]3CN(C(C)(C)C)C(=O)O3)oc12 65733970 GKIAZVRWKQSNAD-CQSZACIVSA-N 301.342 3.927 0 40 DHAB in-vitro CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC1 70697072 JBZIALYMJWKWHU-UHFFFAOYSA-N 319.792 3.537 0 40 DHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1cccc(Cl)c1 71279940 XPEAJEVUAHPEIE-LLVKDONJSA-N 305.765 3.534 0 40 DHAB CC[C@@H](C)[C@@H](C)NC(=O)Cc1nc(-c2ccsc2)oc1C 71862875 IVHBKWBGKOECSX-GHMZBOCLSA-N 306.431 3.805 0 40 DHAB CCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCN2)n1 72209139 WXNMVSLHKUKFJG-LBPRGKRZSA-N 307.781 3.603 0 40 DHAB COC(=O)CN1C(C)=Nc2ccccc2[C@@H]1c1ccc(C)cc1 72314630 MFHZNJGEYIOSRG-IBGZPJMESA-N 308.381 3.623 0 40 DHAB CC(=O)N1CCC[C@H]1c1nc(C)cc(Oc2ccccc2C)n1 72361710 YBODFNLTIOKBQK-HNNXBMFYSA-N 311.385 3.569 0 40 DHAB COc1ccccc1[C@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72403732 QLHNKFGWTVQMEY-CQSZACIVSA-N 323.352 3.657 0 40 DHAB Cc1cnc(COc2ccc(N(C)C(=O)OC(C)(C)C)cc2)o1 78904314 LFVGMTWBYMMVBE-UHFFFAOYSA-N 318.373 3.933 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)[C@@H](O)c2ccc(OC)cc2)cc1 79074428 LQBGMBCVASNFPQ-FZKQIMNGSA-N 313.397 3.566 0 40 DHAB Cc1noc(C)c1NC(=O)N(C)Cc1nc2ccccc2s1 84025541 YVFGFEHRKSFGFQ-UHFFFAOYSA-N 316.386 3.565 0 40 DHAB CC(C)(C)OC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 84240867 LUTAQPRZPPVKOB-AWEZNQCLSA-N 317.410 3.561 0 40 DHAB CC(C)[C@@H](C(=O)N[C@H](C)c1cncc(F)c1)c1ccccc1 95993597 WRMVHAAOTIKPJT-CXAGYDPISA-N 300.377 3.838 0 40 DHAB O=C(Nc1ccccc1F)N(Cc1cnc2ccccn12)C1CC1 96025056 CMKUOQYCHYGYJF-UHFFFAOYSA-N 324.359 3.670 0 40 DHAB O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccsc1 96417220 ZOBDFFAFWDZGHP-ZDUSSCGKSA-N 320.389 3.730 0 40 DHAB CSc1ccc(OCCSc2nncn2C2CC2)cc1 96430128 UYDOVFMZVVMXHI-UHFFFAOYSA-N 307.444 3.506 0 40 DHAB CCCOCc1cc(C(=O)N[C@H](C)CCC)ccc1OCC 224710242 FPMXQEOEDCUXGB-CQSZACIVSA-N 307.434 3.930 0 40 DHAB CCOc1ccc(C(=O)NC(C(C)C)C(C)C)cc1OCC 225059733 ZMFQYQIHLYZRMW-UHFFFAOYSA-N 307.434 3.894 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=S)NC2CCCCC2)c1 225278957 TWJMMKOUCDNJDI-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB CC[C@H](C)NC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 227154449 FYABAZNHWMARKY-ZDUSSCGKSA-N 319.836 3.898 0 40 DHAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1O 255916301 DGHSGCJJMNPWSA-GHXNOFRVSA-N 315.756 3.937 0 40 DHAB CC[C@H](C(=O)NCc1nccnc1-c1ccoc1)c1ccccc1 575620536 OEAYIUZFYAGMDO-INIZCTEOSA-N 321.380 3.547 0 40 DHAB CC(C)n1c([C@H](C)NC(=O)CC2CSC2)nc2ccccc21 585141131 PSMPJADTCPMMNO-LBPRGKRZSA-N 317.458 3.548 0 40 DHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccco1 585147963 KPQYKEXLSCGTRS-JTQLQIEISA-N 319.407 3.533 0 40 DHAB COc1cccc(Br)c1C(=O)OCc1ccccc1 675082229 XKGQUBNWFFRBST-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB Cc1ccc(C)c(Nc2ncnc(C3CCOCC3)c2F)c1 1888856503 FIOCJMYZBKUYCZ-UHFFFAOYSA-N 301.365 3.870 0 40 DHAB Cc1nc2cc(NC(=O)c3cc(C)c(F)cn3)ccc2s1 1888914129 NJZROZIRPDUMAH-UHFFFAOYSA-N 301.346 3.700 0 40 DHAB Cc1cc(C)n2nc(-c3ccccc3)c(Br)c2n1 165744 PYYGMMGGNRCYHG-UHFFFAOYSA-N 302.175 3.776 0 40 DHAB CCCN(Cc1ccccc1)C[C@H](O)COc1cccc(C)c1 2618344 ZUNCWOBGBSXZNJ-IBGZPJMESA-N 313.441 3.647 0 40 DHAB CCC(=O)O[C@@]1(Cc2ccc(CC)cc2)C[C@@H](C)N(C)C[C@@H]1C 4474251 KOYICGYXDCTHSW-RZQQEMMASA-N 317.473 3.844 0 40 DHAB O=S(=O)(/C=C(/Br)c1ccccc1)c1ccccc1 5052506 KZEKKKHNXUUYJO-SDNWHVSQSA-N 323.211 3.854 0 40 DHAB Cc1ccc(SCc2nc3ccsc3c(=O)[nH]2)cc1C 5173814 JWSKUGNTMBYPBF-UHFFFAOYSA-N 302.424 3.894 0 40 DHAB C[C@@H](CCc1ccco1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1 5346136 XEZRCBCPAGXHMF-LBPRGKRZSA-N 314.360 3.993 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 5865146 VCRFNCVCOBCVLB-JTQLQIEISA-N 309.287 3.818 0 40 DHAB C[C@H]1Sc2nnc(C(C)(C)C)n2N=C1c1ccc(Cl)cc1 6085159 HLFJUNMWQAPPRN-SECBINFHSA-N 320.849 3.976 0 40 DHAB Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3)[nH]c2c1 6506716 HAUOAVIVFRRKRQ-GFCCVEGCSA-N 311.410 3.991 0 40 DHAB CCN(CCNc1ncnc2sccc12)c1cccc(C)c1 6869929 JAGHGTQSRFNCIL-UHFFFAOYSA-N 312.442 3.938 0 40 DHAB Cc1cccc(NC(=O)c2cnn(Cc3ccccc3)c2)c1C 7070203 WSEUTOWJNAHDOQ-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1C 8329024 NAGWCPLWIKYGOY-LBPRGKRZSA-N 316.376 3.806 0 40 DHAB CN(Cc1ccsc1)C(=O)NCCc1ccc(Cl)cc1 8719534 ZSZSTWPJWAOUPK-UHFFFAOYSA-N 308.834 3.786 0 40 DHAB CCN1C(=O)c2cc(NC(=O)C3CC3)ccc2Oc2ccccc21 9134619 ZLNPONQNCCSEOJ-UHFFFAOYSA-N 322.364 3.808 0 40 DHAB O=C1C[C@H](C(=O)Nc2cc(Cl)ccc2F)c2ccccc2N1 9734782 MUMHPRCHCRYHHT-NSHDSACASA-N 318.735 3.544 0 40 DHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1 10964460 QFAOMWWNSXWBSB-AWEZNQCLSA-N 305.349 3.932 0 40 DHAB Cc1ccc2nc3c(cc2c1)CN(Cc1cccs1)C(=O)CO3 12113091 IYQFCQFTLQZGHW-UHFFFAOYSA-N 324.405 3.526 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c2nc(C(C)C)cc(C(=O)O)c12 12397989 OQUZABOAGONUDX-UHFFFAOYSA-N 313.332 3.690 0 40 DHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccccc1 12617766 QTFPSOIYRQMECC-UHFFFAOYSA-N 324.355 3.730 0 40 DHAB Cc1csc(NC(=O)c2sc(-c3ccccn3)nc2C)n1 14199075 MJTAFENOBZUPMO-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB O=C(Cc1ccc(F)cc1)NCc1cccc(C(F)(F)F)c1 14790084 SSZKDHLZZCDOHM-UHFFFAOYSA-N 311.278 3.703 0 40 DHAB O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(Cl)cc1 14983116 YIYUGJLYGWSLLU-HOCLYGCPSA-N 307.821 3.761 0 40 DHAB biogenic COc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccccc1OC 15966602 OODTUCHIXILZNU-LLVKDONJSA-N 319.788 3.848 0 40 DHAB O=C(NCCOc1ccccc1)c1cc2c(s1)CCCCC2 17850056 MOFXEUGSWIKDNW-UHFFFAOYSA-N 315.438 3.826 0 40 DHAB CCCc1nnc(SCc2nnc(-c3ccc(F)cc3)o2)o1 20033877 SKNHFEZJBAGRAM-UHFFFAOYSA-N 320.349 3.504 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)cc1C 20402795 VKAOZGQDEOLFQQ-LBPRGKRZSA-N 303.431 3.816 0 40 DHAB CC(C)C[C@H](CNCc1cc(Br)cs1)N(C)C 20475170 NUFJTYTWRVJGHP-GFCCVEGCSA-N 319.312 3.577 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)NCCCc1ccccc1 20494426 FMVFDMJSBKGVDO-MRXNPFEDSA-N 311.425 3.765 0 40 DHAB CCC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 23573144 YOVMUSJBHPSSFT-QGZVFWFLSA-N 322.408 3.835 0 40 DHAB Cc1cc(NC(c2ccccc2)c2ccccc2)n2ncnc2n1 25369411 BRSXDXJWBMLSSX-UHFFFAOYSA-N 315.380 3.634 0 40 DHAB O=C(Nc1ccc(N2CCCC2)cn1)c1cccc(Cl)c1 25661426 CLQRYDFEHLWDRS-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB COc1ccc(NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 28579679 HVOWFHKCRLJCAK-UHFFFAOYSA-N 322.368 3.584 0 40 DHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc2[nH]nnc2c1 28813020 PULGXYRWEJDUJZ-UHFFFAOYSA-N 322.412 3.528 0 40 DHAB Fc1cc(CSc2nncn2C2CC2)c2ncccc2c1 31620459 BEQSBLRYOYPZEQ-UHFFFAOYSA-N 300.362 3.593 0 40 DHAB Cc1cccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)n1 32879603 SAGBSBPTBVEFTC-UHFFFAOYSA-N 312.760 3.686 0 40 DHAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(C)c(C)c2)C1=O 36635544 ZMACFTRFKLAXBC-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB CSc1ncccc1C(=O)N1CCCc2cc(C)cc(F)c21 43247483 BBVBVXLSSWNRQL-UHFFFAOYSA-N 316.401 3.844 0 40 DHAB COc1ccccc1NC(=O)NCc1ccc(F)c(Cl)c1 44845655 RGPFXRWUWAKMMZ-UHFFFAOYSA-N 308.740 3.809 0 40 DHAB C[C@@H](c1ccccc1F)N(Cc1cccc(C(N)=O)c1)C1CC1 52837570 YAPSTWFNPPPALP-ZDUSSCGKSA-N 312.388 3.650 0 40 DHAB CC(C)N1CCOC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 67898538 DAGNLNBQQFDQJB-HNNXBMFYSA-N 305.809 3.512 0 40 DHAB biogenic,in-vitro CC(C)Oc1cc(C(=O)NCc2ccccn2)cc2occc12 71195359 DHHBUZMCJNNYDW-UHFFFAOYSA-N 310.353 3.545 0 40 DHAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(O)c(Cl)c1 71283436 BUWNJXOSVXAHQC-JTQLQIEISA-N 305.765 3.947 0 40 DHAB Cc1sc2ncnc(NC[C@H](C)N3CCC[C@H](C)C3)c2c1C 71954220 PDLMYBBSGDMRDG-RYUDHWBXSA-N 318.490 3.840 0 40 DHAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)O)CCCO2)c1 72372216 ZWHDXDGHDNVCFS-LJQANCHMSA-N 312.365 3.539 0 40 DHAB CC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccncc1 73900654 BOIAEJCKSFDMFB-MLGOLLRUSA-N 301.390 3.803 0 40 DHAB CN(CC(=O)Nc1ccc(Cl)cn1)C1CCCCCCC1 83857656 BXQXARXSGZSROS-UHFFFAOYSA-N 309.841 3.718 0 40 DHAB C[C@@H](SCC1(CO)COC1)c1ccc(Cl)cc1Cl 89603174 VICVZHAYHWADMB-SECBINFHSA-N 307.242 3.797 0 40 DHAB CSc1c(Cl)cccc1NC(=O)NCc1ccccn1 95403996 ZFQZMRDYPDHAHD-UHFFFAOYSA-N 307.806 3.779 0 40 DHAB CCNC(=O)COc1cccc(N[C@@H](C)c2cccc(F)c2)c1 95404394 MUOCIXZKELDYGE-ZDUSSCGKSA-N 316.376 3.514 0 40 DHAB Cc1nn(C)c(C)c1CNC(=O)c1cccc2c1ccn2C(C)C 95475164 ZDKIOXSFNQHSQE-UHFFFAOYSA-N 324.428 3.503 0 40 DHAB COc1cc(C(=O)Nc2ccnc(C3CCCC3)n2)ccc1C 96006628 AUEBWAXRWXVHAK-UHFFFAOYSA-N 311.385 3.704 0 40 DHAB CCN1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 96086953 WXYRYPZQQXEHMR-UHFFFAOYSA-N 312.442 3.657 0 40 DHAB Cc1ccc2c(NC(=O)C(Cl)(Cl)Cl)cccc2n1 105303418 JHXUHKUSWOTFLH-UHFFFAOYSA-N 303.576 3.852 0 40 DHAB COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 105831374 SESIETRDRVFSDY-VQHVLOKHSA-N 307.143 3.895 0 40 DHAB O[C@@](CNc1nc2ccccc2o1)(c1ccccc1)C(F)(F)F 171987244 CXUGKWBBMMWJFF-HNNXBMFYSA-N 322.286 3.690 0 40 DHAB CCCSc1nnc(NC(=O)c2ccc(OC)c(C)c2)s1 223215056 QBEHXQGPFSNYOQ-UHFFFAOYSA-N 323.443 3.610 0 40 DHAB CCOc1ccc(C(N)=O)cc1COc1ccc2ccccc2c1 224637672 SJZMYQNPQWLTJX-UHFFFAOYSA-N 321.376 3.916 0 40 DHAB O=C(Cc1cccs1)NCc1cccnc1-c1cccs1 225759038 BMORDAFDCGYBEB-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB CC(C)c1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 252426668 JQKCVMHFHDPFRO-JFIYKMOQSA-N 305.462 3.813 0 40 DHAB Cc1nc(Cl)c(I)c(C)c1Cl 669370055 OORVJSZLALDASQ-UHFFFAOYSA-N 301.942 3.610 0 40 DHAB CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776008348 DRDYKFGIRKYWPC-OALUTQOASA-N 324.424 3.748 0 40 DHAB Cc1ccccc1C(=O)NCc1ccc2c3c(cccc13)C(=O)N2 72089 MVUHGYOKVGHIDZ-UHFFFAOYSA-N 316.360 3.644 0 40 DHAB COc1cccc(OC(=O)c2cc(F)c(Cl)nc2Cl)c1 166940 JOBAMSDBQDCYAS-UHFFFAOYSA-N 316.115 3.755 0 40 DHAB CC1=C(C)C[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2C1 576075 GXHXVDZFPOWLBO-STQMWFEESA-N 303.789 3.884 0 40 DHAB O=C(CCSc1ccc(Cl)cc1)NCc1ccccn1 803284 KWILUWPJYMCJLI-UHFFFAOYSA-N 306.818 3.534 0 40 DHAB Cc1ccccc1[C@](O)(Cc1ccccc1)[C@H]1CN2CCC1CC2 1259763 FPDWKSDUHWWBCL-FCHUYYIVSA-N 321.464 3.767 0 40 DHAB Cn1c(CCCc2nc3ccccc3n2C)nc2ccccc21 1602797 PAAOHXDKNMOZSZ-UHFFFAOYSA-N 304.397 3.635 0 40 DHAB COc1ccc(CNC(=O)CCCSc2ccccc2)cc1 3353884 DLVTWNVYIHOWAV-UHFFFAOYSA-N 315.438 3.884 0 40 DHAB O=C(COC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 3398679 QBLBHCPGINPTGZ-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB Cc1cc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c(C)o1 3529985 HZHRGNWDKBGYTN-UHFFFAOYSA-N 315.369 3.815 0 40 DHAB CC(C)[C@H](COC(=O)c1ccc(N)cc1)N[C@H]1CCCC[C@@H]1C 4825135 XTGSASTYPBHXBJ-WBAXXEDZSA-N 318.461 3.619 0 40 DHAB Nc1oc2ccc(Cl)cc2c(=O)c1-c1nc2ccccc2[nH]1 5020372 OSQNJJMITXUNGT-UHFFFAOYSA-N 311.728 3.572 0 40 DHAB CCSc1ccccc1C(=O)Nc1nnc(-c2ccco2)o1 5240799 CIYYHVVDCYNZQA-UHFFFAOYSA-N 315.354 3.694 0 40 DHAB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc(Cl)cc1 5451330 VSONOOXLTCSCTJ-ACCUITESSA-N 308.768 3.994 0 40 DHAB CC(C)(C)c1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1 5992424 CLCWICQDCHFVFS-UHFFFAOYSA-N 311.212 3.896 0 40 DHAB CC[C@@H](C)[C@@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 6554897 YLLWFPVPWZUFOD-BFUOFWGJSA-N 309.409 3.716 0 40 DHAB O=C(Cc1ccc2c(c1)CCC2)Nc1nc2c(s1)CCCC2 7718897 ZIIRAXNDGFNCQN-UHFFFAOYSA-N 312.438 3.692 0 40 DHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc(F)ccc1F 8105127 VHNJZWMXOKYRED-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 9447774 ZMGXXYNPBDEXGB-AWEZNQCLSA-N 322.408 3.868 0 40 DHAB COc1ccccc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1 11008343 JKPHLZJRXZWUJR-ZDUSSCGKSA-N 314.385 3.544 0 40 DHAB CCN(CC)c1ccc(CCNC(=O)Nc2ccccc2)cc1 12411791 GRUJVFFMUCECMQ-UHFFFAOYSA-N 311.429 3.897 0 40 DHAB CC1CCC(NC(=O)c2cc3c(nc4sccn43)s2)CC1 12541047 DIFYMXOOBICMBU-UHFFFAOYSA-N 319.455 3.919 0 40 DHAB CC(C)=C[C@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 13374351 VNADFOGBKXRWGC-SBNBMVPLSA-N 314.381 3.835 0 40 DHAB biogenic,in-vivo Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c(N)c2)c1 19736467 WOKZRSPZYJSGNX-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CCc1nc(N)sc1-c1nc(-c2ccccc2Cl)no1 22121377 BJQDBDMSUOQGSB-UHFFFAOYSA-N 306.778 3.658 0 40 DHAB CC(C)CCNC(=O)Cc1csc(Nc2ccc(F)cc2)n1 23236119 STCTUFSTFDOSKC-UHFFFAOYSA-N 321.421 3.731 0 40 DHAB Cc1cccc(OCC(=O)Nc2nc3c(s2)CC[C@H](C)C3)c1 27583383 VADDTNWWQZYFLZ-LBPRGKRZSA-N 316.426 3.594 0 40 DHAB O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1ccccc1 29981046 UCAFJPULLXJFPT-SFHVURJKSA-N 319.408 3.790 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 36561557 PZRNLOSAINBIIR-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB O=C(NCCc1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 36620368 UTBKXPXMZFTWOX-GOSISDBHSA-N 312.388 3.915 0 40 DHAB Cc1ccc([C@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)cc1 40096947 XWOKOLMKUSOBSE-GOSISDBHSA-N 312.413 3.974 0 40 DHAB CC(C)(C)OC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21 40443092 FSVVUJLLKROCMU-UHFFFAOYSA-N 322.836 3.716 0 40 DHAB in-vitro Clc1c(CN[C@H]2CCN(C3CC3)C2)sc2ccccc12 44687552 ZXCODEHKCNNVPY-NSHDSACASA-N 306.862 3.881 0 40 DHAB COc1cccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)c1 47346385 VSUCBXMDXXNLCE-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB Cc1nnc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)o1 52220502 AOYVIWDFYXEXBJ-UHFFFAOYSA-N 312.200 3.849 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)Cc1cccc2cccnc12 54519774 COUCORBLLLJDJJ-CQSZACIVSA-N 320.392 3.663 0 40 DHAB CC(C)Oc1cccc(CC(=O)N2CCC[C@H]2c2ccc[nH]2)c1 65459317 NTJWDQAWEOTZKD-SFHVURJKSA-N 312.413 3.708 0 40 DHAB CN(CCOc1ccccc1)C(=O)Nc1ccc2[nH]ccc2c1 71803336 DCPKOIQPLPYSNN-UHFFFAOYSA-N 309.369 3.711 0 40 DHAB O=C(NC[C@@H]1CCOC1)Nc1cccc(-c2cccs2)c1 72230604 DWUYPGKLRXHCEI-LBPRGKRZSA-N 302.399 3.573 0 40 DHAB COCCC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 72295531 FRTRJAIPVVOBOO-CQSZACIVSA-N 313.397 3.576 0 40 DHAB CCN(CC)CCSc1nc(C)nc2sc3c(c12)CCC3 72301760 YGYLRILGWQCPBC-UHFFFAOYSA-N 321.515 3.922 0 40 DHAB COc1cc(C(=O)NC2CCCCC2)nc2c(C)cc(F)cc12 72329492 OEXXCMMVWOFXMF-UHFFFAOYSA-N 316.376 3.753 0 40 DHAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2cnc[nH]2)n1 76044547 LQUBKGHSGCNJAM-GFCCVEGCSA-N 318.446 3.531 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N(Cc1cccnc1)Cc1ccco1 78728040 MWEIOPKUVVZHPT-YXJHDRRASA-N 310.397 3.640 0 40 DHAB C[C@@H](Cc1ccoc1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 84829337 DBMCGPIHKKGMAH-LBPRGKRZSA-N 321.804 3.838 0 40 DHAB O=C(Nc1ccccc1)N1CCN(C2CC2)C[C@H]1c1ccccc1 85472658 MUYRVJSZJIGAKW-IBGZPJMESA-N 321.424 3.740 0 40 DHAB CC[C@H](O)[C@H](O)C/C=C/C/C=C/CCCCCCCC(=O)O 85616853 LKLLJYJTYPVCID-GSPIPNAGSA-N 312.450 3.826 0 40 DHAB biogenic CN1CCC[C@@H]1CCN1CCC[C@@H]1Cc1ccccc1Cl 89375355 BVZYSOXWRMOXCQ-IAGOWNOFSA-N 306.881 3.831 0 40 DHAB Cc1oncc1NC(=O)COc1ccccc1Cc1ccccc1 89545069 SGVVOANAKJIERV-UHFFFAOYSA-N 322.364 3.591 0 40 DHAB COCCN(Cc1cccs1)C(=O)[C@@H](C)c1cccs1 95399258 MXFKDOQYOIVSJQ-LBPRGKRZSA-N 309.456 3.588 0 40 DHAB CCCN(CC)c1ncnc2c1cnn2-c1ccc(C)c(C)c1 96346855 REAPVZNADPSOGX-UHFFFAOYSA-N 309.417 3.669 0 40 DHAB CC1(NC(=O)Nc2cnc(-c3ccccc3)s2)CCOCC1 96495571 DXWKXWXDFMIQCY-UHFFFAOYSA-N 317.414 3.501 0 40 DHAB Cc1ccc([C@](C)(O)CNC2CCC(C(F)(F)F)CC2)o1 97145913 PSLQNNOUGUEYAX-ORHYLEIMSA-N 305.340 3.506 0 40 DHAB C[C@H]1C[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccc(Cl)s2)[nH]n1 176145070 KVVVCNFOLGHXHI-CIUDSAMLSA-N 309.822 3.990 0 40 DHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1c1ccccc1 224151221 HDCDOZKLJKJJNR-SJORKVTESA-N 321.405 3.852 0 40 DHAB COc1ccc(C(N)=O)cc1COc1ccc(C(C)(C)C)cc1 224177361 YVDOOKGTWMMZIS-UHFFFAOYSA-N 313.397 3.671 0 40 DHAB CC(C)CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 224214985 AYHQPFWMFDQROR-CMDGGOBGSA-N 319.455 3.938 0 40 DHAB CCCOC(=O)c1ccc(Nc2ccc(OCC)cc2)c(N)c1 225431399 ZWYAAMAXVBORNG-UHFFFAOYSA-N 314.385 3.978 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 253473937 ZYTZWQFHAOSDHY-IJDCCNJMSA-N 311.337 3.543 0 40 DHAB Cc1cc(CC[C@H]2CCCN2C(=O)Cc2cccs2)ccn1 257222450 DTIYTCWTYFGSKD-MRXNPFEDSA-N 314.454 3.618 0 40 DHAB Brc1cnc(N2CCC(c3ccsc3)CC2)nc1 274945828 CJYJWPMUAGRIAI-UHFFFAOYSA-N 324.247 3.685 0 40 DHAB Cc1ccc(-c2nnc(CN(C)C(=O)c3cccc(C)c3)o2)cc1 408714649 UCEFMFWPOQGRIP-UHFFFAOYSA-N 321.380 3.626 0 40 DHAB CN(C)c1ccc(NC(=S)Nc2ccc3conc3c2)cc1 409192791 BEHFHYFSQLTLAC-UHFFFAOYSA-N 312.398 3.703 0 40 DHAB CC1(C)C[C@@H](NCc2ccc(Oc3ccc(F)cc3)nc2)CO1 417872441 JKQZTULESNTAMA-OAHLLOKOSA-N 316.376 3.670 0 40 DHAB CCOC1(c2nc(CCOCc3ccccc3)no2)CCCC1 585120312 GUBTYMVBAULBFM-UHFFFAOYSA-N 316.401 3.635 0 40 DHAB CC(C)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 1615157032 NJOFCPVQJVOABD-UHFFFAOYSA-N 302.462 3.532 0 40 DHAB COc1ccccc1CC(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008733 OEDDSVFDSZYEDN-ROUUACIJSA-N 311.425 3.728 0 40 DHAB OC[C@]12CCCC[C@H]1CN(c1nc3c(F)cc(F)cc3s1)C2 1888870219 FDNODPIBMNIAML-MGPLVRAMSA-N 324.396 3.563 0 40 DHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(C)c(C)c1 131878 PUNAHJIFAPWARI-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1Br 236130 YQDRINXKPVXZOP-UHFFFAOYSA-N 316.154 3.558 0 40 DHAB COc1ccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 421245 MVKYWLNJRMAIBJ-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(C)C 1369570 FVUAYRMFYZPYOW-ROUUACIJSA-N 314.473 3.766 0 40 DHAB CCCCCC[C@@H]1NC(=N)NC(=N)N1c1cccc(Cl)c1 1666579 QJSAJCHTOMBQHS-CYBMUJFWSA-N 307.829 3.505 0 40 DHAB CCOc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)cc1 3099593 NDFPALBQNOPROY-UHFFFAOYSA-N 301.729 3.539 0 40 DHAB CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 4086614 MCKRQERWCJCSRM-UHFFFAOYSA-N 319.333 3.531 0 40 DHAB CC[C@@H](C)n1cc(/C=C2\NC(=O)N(CC)C2=O)c2ccccc21 4749747 CTDQRVCFKGOLRR-DYTQJMLRSA-N 311.385 3.525 0 40 DHAB O=C(CN1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 4902402 PHMJRIZGHFBHPJ-UHFFFAOYSA-N 310.397 3.903 0 40 DHAB NCCCCCc1nnc(SCc2ccc(Cl)cc2)o1 5046993 QERPHWUWJRVGKQ-UHFFFAOYSA-N 311.838 3.687 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=S)NC(=O)c1ccccc1Cl 5559474 KLLGQTYQLZBSLF-ZWNOBZJWSA-N 310.850 3.523 0 40 DHAB Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccccc1F 5630631 FYKDXPCWIBLZSW-UHFFFAOYSA-N 315.388 3.953 0 40 DHAB NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 6130073 DOFNIDPLSQZBSU-UHFFFAOYSA-N 318.445 3.812 0 40 DHAB in-vitro Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CCCC[C@@H]2C)c1C 7001488 JJYYMWPJODJYLK-QGTPRVQTSA-N 305.462 3.520 0 40 DHAB CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3)[nH]2)cc1 7605047 XCQRULJXRDYCMI-UHFFFAOYSA-N 324.409 3.722 0 40 DHAB CCOc1ccc(C(C)=O)cc1CSC1=NCC(C)(C)CN1 7760103 DDQJUZURQGHAAQ-UHFFFAOYSA-N 320.458 3.507 0 40 DHAB O=C(Nc1cccc(Cl)c1F)c1ccc2c(c1)OCCO2 7990715 DVGQXMSCUMPKDL-UHFFFAOYSA-N 307.708 3.503 0 40 DHAB CNCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 8377133 VKDHBXCCSKNNAP-UHFFFAOYSA-N 313.228 3.953 0 40 DHAB CC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8429664 PAZOOGOXJBMBDW-UHFFFAOYSA-N 323.371 3.657 0 40 DHAB C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1F 8497950 KPOOIBQZDBRICH-LBPRGKRZSA-N 323.795 3.529 0 40 DHAB C[C@H](NC(=O)CSc1ncccc1Cl)c1cccs1 8706041 SWELBYFYRNTAKS-VIFPVBQESA-N 312.847 3.766 0 40 DHAB C[C@H](Sc1nnc(-c2cccs2)n1N)c1ccc(F)cc1 8939766 ZXGSQHQNKPMKTL-VIFPVBQESA-N 320.418 3.713 0 40 DHAB CCCOc1ccccc1NC(=O)c1ccc2nccnc2c1 9496806 KDLOITGKLUMEHL-UHFFFAOYSA-N 307.353 3.671 0 40 DHAB CCSc1nnc(NC(=O)C2C3CC4CC(C3)CC2C4)s1 9533110 AILLNTVPLAJGTM-UHFFFAOYSA-N 323.487 3.661 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)cc1C 10677308 QPXHGQPDUREISX-GOSISDBHSA-N 315.438 3.733 0 40 DHAB CCOc1ccc(NC(=S)Nc2ccc(C)cc2O)cc1 10749838 GXMKZTCSLJSQJI-UHFFFAOYSA-N 302.399 3.908 0 40 DHAB COc1cc(Cl)c(NC(=O)c2cccc(F)c2)cc1OC 11013944 YYTVYYXWEWRSTF-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB COc1cc(NC(=O)c2ccc(C)cc2)c(Cl)cc1C(=O)O 13171830 SMUVHXJDLZKNHH-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB CN(CCCNC(=O)c1ccc(Cl)cc1)c1ccccc1 17826758 KQGUGRVOVBXAMW-UHFFFAOYSA-N 302.805 3.596 0 40 DHAB Cc1ccc(NC(=O)NCCc2nc3ccccc3s2)cc1 18176817 KLIAHUUOLXOHRN-UHFFFAOYSA-N 311.410 3.969 0 40 DHAB COc1ccc(NC(=O)c2ccc(N)cc2Cl)cc1Cl 20000313 MESQBSSQBRWKDK-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CC(C)(C)c1ccc(O)c(NC(=O)c2cnc3ccccc3n2)c1 21006741 LXYVLQGRHNOAQM-UHFFFAOYSA-N 321.380 3.885 0 40 DHAB Cc1cc(CN(C)C(=O)c2sc3cccc(F)c3c2C)no1 25137608 PHDIYZQASMRYBF-UHFFFAOYSA-N 318.373 3.917 0 40 DHAB COc1ccc(-c2nnc([C@H](C)N3CCC[C@@H](C)C3)o2)cc1 25424620 KNYRMWUXLFGZMI-OLZOCXBDSA-N 301.390 3.538 0 40 DHAB c1ccc(-c2nc(NC[C@H]3CCCO3)nc3ccccc23)cc1 26757274 JUIAATAHUVKSFX-OAHLLOKOSA-N 305.381 3.888 0 40 DHAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 27581021 CHFOOJFABNWXPS-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB O=C(c1ccco1)N1CCCC[C@H]1CCN1CCCCCC1 27995340 KFIVGKPMGUIZEO-INIZCTEOSA-N 304.434 3.540 0 40 DHAB Cc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)sc1C 28304734 KNGWCDDAMNNPSD-UHFFFAOYSA-N 324.471 3.858 0 40 DHAB CCn1cc(-c2nnc(SCc3cccc(C)c3)o2)cn1 28579141 QPCAHQBGZAZSEX-UHFFFAOYSA-N 300.387 3.554 0 40 DHAB Cn1ccnc1[C@@H](Nc1nc2ccccc2o1)c1ccccc1 29400993 XUAMPSATJZVCMR-INIZCTEOSA-N 304.353 3.763 0 40 DHAB CC(=O)Nc1ccc(CN[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 30662027 INLZZKNSPOOZFG-HUUCEWRRSA-N 314.351 3.856 0 40 DHAB O=S(=O)(Nc1ccon1)c1ccc(C2CCCCC2)cc1 32508823 LWVKOOGUDXBGHZ-UHFFFAOYSA-N 306.387 3.523 0 40 DHAB CCOC(=O)N[C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C 32912169 KQGGXGQIWDCVBS-HNNXBMFYSA-N 306.406 3.519 0 40 DHAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H](C)c1cccc(F)c1 40553305 DAEWJFZTJNQCIH-LLVKDONJSA-N 317.408 3.885 0 40 DHAB CC[C@@H](C)c1noc([C@H]2CCCCN2C(=O)c2ccco2)n1 41123375 BQSARCMYWLPKSI-VXGBXAGGSA-N 303.362 3.544 0 40 DHAB C[C@@H](CNC(=O)c1ccc(F)cc1)Oc1ccc(Cl)cc1 41155688 DXMWJNFMGVPNTI-NSHDSACASA-N 307.752 3.676 0 40 DHAB O=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(C(F)(F)F)cc1 43879098 JBHBXUHEXGXHEJ-GXSJLCMTSA-N 300.276 3.779 0 40 DHAB COc1ccccc1CC(=O)N(C)[C@H](C)c1ccccc1F 45191183 KANFYHAOMKBYNM-CYBMUJFWSA-N 301.361 3.596 0 40 DHAB C[C@]1(CCc2ccccc2)NC(=O)c2cc(Cl)ccc2N1 58174684 NMBROIZILXHULQ-QGZVFWFLSA-N 300.789 3.844 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCSc1nnc(C(F)(F)F)n1C 58245197 BJQUIFSDNUOHNE-ZJUUUORDSA-N 323.384 3.521 0 40 DHAB CN(C)C(=O)Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1 59742708 DDUOHGXWCLOILO-UHFFFAOYSA-N 320.801 3.840 0 40 DHAB c1csc(-c2nc(Cn3nccc3-c3ccncc3)co2)c1 68777459 DKHHENTWWOFIQK-UHFFFAOYSA-N 308.366 3.710 0 40 DHAB FC(F)(F)c1cc(Oc2cccnc2)nc(-c2ccccn2)n1 69661779 WUPCFIFPFTZFTE-UHFFFAOYSA-N 318.258 3.745 0 40 DHAB Cc1cc(NC(=O)N(C)CC(C)C)ccc1N1CCSCC1 69878597 UOBOZGXUFXAXBE-UHFFFAOYSA-N 321.490 3.668 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)Nc1c(F)cccc1F 75126341 WNAGQKLFPKDZKH-UHFFFAOYSA-N 318.279 3.702 0 40 DHAB CCc1cc(N(C)[C@H](C)c2ccccn2)nc(-c2ccncc2)n1 75138123 OCDLNCDHRATWCX-CQSZACIVSA-N 319.412 3.693 0 40 DHAB C[C@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1nccs1 78973562 IARABCGAMJUHLU-NSHDSACASA-N 315.398 3.792 0 40 DHAB C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccccn1 80056430 MQQVRGMUKWPKQZ-CQSZACIVSA-N 319.474 3.604 0 40 DHAB O=C(C1CCCC1)N1CC[C@@H](N[C@H]2CCCc3sccc32)C1 95423913 KPNPBGLPBDAABH-ZBFHGGJFSA-N 318.486 3.506 0 40 DHAB CC(C)n1ccc2cc(C(=O)NCCc3nccs3)ccc21 95472280 QAHKRONXBAEDKR-UHFFFAOYSA-N 313.426 3.651 0 40 DHAB CC(C)(C)OC(=O)N1CCNc2cc(C(F)(F)F)ccc21 95762252 ZMATXTRTGHUYSW-UHFFFAOYSA-N 302.296 3.872 0 40 DHAB COc1cc(C(=O)c2cccc(Cl)c2C)cc(OC)c1OC 95916374 PGFRFYRKOBKGOI-UHFFFAOYSA-N 320.772 3.905 0 40 DHAB Cc1noc(C)c1CNC(=O)N(CC1CCCCC1)C1CC1 95955272 QHTKUETYHJPOLV-UHFFFAOYSA-N 305.422 3.546 0 40 DHAB Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc3sncc3c1)C2 97102760 DFHVCWZHLWRKJD-INIZCTEOSA-N 324.405 3.855 0 40 DHAB Cc1csc([C@@H](C)CNC(=O)N[C@H]2CCc3ccccc32)n1 97109752 KUBNIQFWEOJGBB-NHYWBVRUSA-N 315.442 3.542 0 40 DHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1ccccc1)C2 100424092 LSVPLDATEPZGPS-IAGOWNOFSA-N 301.434 3.604 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F 113942654 KUWONYYKLGQTKG-MRXNPFEDSA-N 321.323 3.770 0 40 DHAB O=C(c1cccs1)N(Cc1cccs1)C1CCOCC1 206674021 OKSHVUYPLRSJDO-UHFFFAOYSA-N 307.440 3.631 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Cc1cccc(Cl)c1 224576728 LDJHPRGWDMPQIQ-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB Cc1ccc(CC(=O)Nc2nnc(SC(C)C)s2)cc1 224708534 GKYVWUQHVZZOAI-UHFFFAOYSA-N 307.444 3.528 0 40 DHAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 225219845 KQHVQLQFCSWEST-AWEZNQCLSA-N 322.880 3.713 0 40 DHAB CCCCCNC(=S)Nc1cccc(C(=O)OCC)c1C 225378609 TVFMLPDPYIWDEQ-UHFFFAOYSA-N 308.447 3.648 0 40 DHAB CC[C@H](NC(=S)Nc1cccc(C)n1)c1ccc(OC)cc1 225490983 LHWLXYGAKDRKJY-HNNXBMFYSA-N 315.442 3.836 0 40 DHAB Cc1ccc(NC(=O)N[C@H](C)Cc2ccc3c(c2)CCO3)cc1C 225604269 VJJRDTDNXQNCIP-OAHLLOKOSA-N 324.424 3.991 0 40 DHAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)c1 225607027 RZGSKHBPGCSYMA-CQSZACIVSA-N 321.417 3.790 0 40 DHAB CCCSc1nnc(NC(=O)Cc2ccc(CC)cc2)s1 225870135 UMOCKBYWOMCNIH-UHFFFAOYSA-N 321.471 3.784 0 40 DHAB CCCN(CCC)c1ccc(N)cc1C(=O)N1CCC[C@H](C)C1 226323614 HPNXAILCGWDJBI-HNNXBMFYSA-N 317.477 3.767 0 40 DHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251242152 TWZNQAAHFWEOAF-RKLWJJNISA-N 307.821 3.802 0 40 DHAB C[C@@H]1CCCCN1C[C@@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531634 JVWNDFSGDRHMEI-PKRADWSKSA-N 323.521 3.843 0 40 DHAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCc1cccnc1 257173033 AWYWGTPMYKYNKH-UHFFFAOYSA-N 321.355 3.521 0 40 DHAB CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)c2ccccc21 409113747 FGVNFJRCWVFTEI-GDNBJRDFSA-N 307.349 3.713 0 40 DHAB O=C(O)c1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)o1 582306974 OFORSUIENTTZTG-GFCCVEGCSA-N 317.307 3.532 0 40 DHAB CC(C)CCN1CCC[C@]2(CCCN2C(=O)c2ccoc2)CC1 585100142 GTVFSBRPRUKMOI-IBGZPJMESA-N 318.461 3.786 0 40 DHAB COc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 31914 GXGVUFQVVDRLQQ-UHFFFAOYSA-N 314.366 3.567 0 40 DHAB COc1ccc(/C=C/C(=O)N2CCCc3ccccc32)c(OC)c1 147358 PATVTSFAGCHHFM-ZRDIBKRKSA-N 323.392 3.696 0 40 DHAB O=C(CN1CCCc2ccccc21)Nc1ccc(F)c(Cl)c1 395802 NUAPVKZMLVNDFM-UHFFFAOYSA-N 318.779 3.870 0 40 DHAB Cc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1 578819 QDSSQGNTRQVBKO-UHFFFAOYSA-N 306.365 3.709 0 40 DHAB Cc1cc(C)n(C(=O)CCCOc2ccc(Cl)cc2C)n1 2080205 CICZXLFKWARUFC-UHFFFAOYSA-N 306.793 3.961 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@@H]1[C@@H]2C 2124465 XWHWCKHMKQSYBV-PRHYDEJPSA-N 300.442 3.845 0 40 DHAB biogenic Cc1nn(C)c(-c2nnc(Nc3ccccc3)s2)c1Cl 2743436 LVDYRTAPPBJZIA-UHFFFAOYSA-N 305.794 3.644 0 40 DHAB CCN(CC(=O)Nc1cc(C)on1)c1cccc2ccccc12 3435841 YJPIXYFRGHTPQE-UHFFFAOYSA-N 309.369 3.601 0 40 DHAB CN[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4061448 LXUIGQVHABEBDW-XQTOBJRWSA-N 305.506 3.978 0 40 DHAB biogenic CCCCCC[C@H](C)NC(=O)Cc1ccc(OC)c(OC)c1 4691453 DFQZMKYDWIRMSM-AWEZNQCLSA-N 307.434 3.721 0 40 DHAB COc1ccccc1C(=O)Nc1nnc(-c2cc(C)ccc2C)o1 5169673 NXEKWQDYZYCXSE-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1O 5904274 GKYKQIDUQINTRT-UHFFFAOYSA-N 301.367 3.883 0 40 DHAB biogenic CNC(=O)c1ccccc1C(=O)Cc1cccc2ccccc12 5914071 GODPCDLIMBRYLP-UHFFFAOYSA-N 303.361 3.625 0 40 DHAB FC(F)(F)c1cc(Cl)c2nnc(C(F)(F)Cl)n2c1 6219685 UWFPWWFHGPKIAY-UHFFFAOYSA-N 306.021 3.690 0 40 DHAB CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccccc1Cl 6305993 BBYXDCLIDZIGCX-CYBMUJFWSA-N 313.869 3.884 0 40 DHAB Cn1ccnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 6369368 GVQPLSKYDSJMNL-UHFFFAOYSA-N 323.421 3.965 0 40 DHAB CCOc1ccc(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1 6780231 YKSDLEFNLYJLCO-FUHWJXTLSA-N 317.429 3.507 0 40 DHAB biogenic CCCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 7405372 GYYSBKZWKJYEIW-UHFFFAOYSA-N 311.353 3.718 0 40 DHAB CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C)cc1 8132489 WVOWUHSTKHEGID-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB CSCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1 8267030 RYLHPVGYZHCTSM-UHFFFAOYSA-N 315.394 3.809 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)OCc3ccccc3)ccc21 9134208 CKAZKSXCLGHKQC-UHFFFAOYSA-N 324.380 3.734 0 40 DHAB CCOC(=O)c1oc2cc(NC(=O)c3ccncc3)ccc2c1C 9659889 LCWRMBQYVVIHGV-UHFFFAOYSA-N 324.336 3.565 0 40 DHAB biogenic Cc1cc(C(=O)CSc2ccc(Cl)nn2)c(C)n1C1CC1 10653577 LRWDCQLHJUNBDB-UHFFFAOYSA-N 321.833 3.858 0 40 DHAB Cc1ccc(NC(=O)/C=C/c2coc3ccccc3c2=O)cc1 12062943 LHZGIQUYAXBDBV-DHZHZOJOSA-N 305.333 3.753 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1C 12541923 DBXMGJKAHZIPSO-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB C[C@H]1Cc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1 12608074 MBVVCSCFTBVLRG-LBPRGKRZSA-N 309.344 3.827 0 40 DHAB COc1cc(OC)c(NC(=O)Cc2ccc(F)cc2)cc1Cl 13017113 LNYOFPIYCMIEFE-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)cc1 13096116 HLLANUPYTDGPMN-CYBMUJFWSA-N 302.805 3.799 0 40 DHAB COc1cccc(C(=O)NCCCc2ccccc2Cl)c1 13648003 PEANCLTWJDGNKY-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB Cc1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)c(C)c1 15326712 LKRZXNCOTBKSLY-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB N#Cc1ccc(OCCOC(=O)c2ccc3ccccc3c2)cc1 15514206 QWHQRQWJLXEZNQ-UHFFFAOYSA-N 317.344 3.947 0 40 DHAB CC(=O)Nc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1 15991857 VRFNKUCFJNQWQG-UHFFFAOYSA-N 317.414 3.753 0 40 DHAB O=C(NC1CCCC1)c1cc(-c2cccnc2)nc2ccccc12 21874157 XEDVGHMXXINCTE-UHFFFAOYSA-N 317.392 3.969 0 40 DHAB CCN1CCN(c2ccc(NC(=O)CCC(C)C)cc2C)CC1 24975375 ZLVURWJKORGRMJ-UHFFFAOYSA-N 317.477 3.512 0 40 DHAB O=C(NCc1ccccn1)c1ccc(-c2ccc(F)cc2)s1 25705740 PBYAEMLEVKSJLS-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc2ccccc2c1 26781050 NXCMPCZBKQUWRK-GPMSIDNRSA-N 313.441 3.842 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)[C@@H]1CCc2ccccc21 29482811 MZHKJKBRTVVPNC-FOIQADDNSA-N 320.436 3.584 0 40 DHAB CCOc1ccc([C@@H](O)CN(C)Cc2ccccc2)cc1Cl 31911877 OMDIBWATEJSJEB-KRWDZBQOSA-N 319.832 3.904 0 40 DHAB COc1cccc(CO[C@@H](C)C(=O)N[C@@H](C)c2cccs2)c1 32924143 LBULHVGELWKPBA-STQMWFEESA-N 319.426 3.539 0 40 DHAB CCOc1ccccc1NC(=O)c1cc(-c2ccccc2)no1 33148907 WXECGESUGTZMGN-UHFFFAOYSA-N 308.337 3.993 0 40 DHAB Cc1cc(NC(=O)CSc2nc3ccccc3s2)sn1 38680475 LTSBNWVNVHKEIG-UHFFFAOYSA-N 321.452 3.792 0 40 DHAB Cc1ccccc1/C=C/C(=O)NCc1ccc(-n2cccn2)cc1 40106974 VVCRRDVQNKFVQT-FMIVXFBMSA-N 317.392 3.510 0 40 DHAB O=C(NCc1cc(Br)cs1)c1ccc(Cl)o1 40145555 SICBCIZCZMPQBP-UHFFFAOYSA-N 320.595 3.687 0 40 DHAB Cc1ccccc1-n1ncc(C(=O)NCc2ccoc2)c1C1CC1 45835994 BUTKVBMHHRYFGB-UHFFFAOYSA-N 321.380 3.581 0 40 DHAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(Br)o1 45889184 PEVKJGUZLZSCGA-UHFFFAOYSA-N 323.190 3.747 0 40 DHAB O=C(Cc1c(F)cccc1Cl)N1CCC(n2cccc2)CC1 58167895 GUMAVZYXEGOJME-UHFFFAOYSA-N 320.795 3.687 0 40 DHAB CCOc1cc(C(=O)OC)ccc1OCc1ccccc1C 62170261 RODACJAOXIVUFZ-UHFFFAOYSA-N 300.354 3.759 0 40 DHAB O=C1C[C@H](C(F)(F)F)c2cnn(-c3ccc(Cl)cc3)c2N1 66087670 ZEXKAXYUGOXLOO-JTQLQIEISA-N 315.682 3.514 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1C[C@H]1c1ccccc1 67511891 YYYILMOGIMNMDU-IRXDYDNUSA-N 318.376 3.936 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)Cc1cccc(Cl)c1 67791866 JMJPIUHTOHUQGV-GFCCVEGCSA-N 303.789 3.769 0 40 DHAB O=C(c1cccs1)N(Cc1cccs1)C[C@@H]1CCCO1 69460598 IIKOLARXVCZVMH-LBPRGKRZSA-N 307.440 3.631 0 40 DHAB CS[C@@H](C)C(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 69586610 YVTWTLKZHNPGQW-BLLLJJGKSA-N 318.417 3.520 0 40 DHAB O=C(CCc1ccccn1)N1CCCC[C@H]1Cc1ccccc1 69596710 CBHKZVWEHMHQLL-IBGZPJMESA-N 308.425 3.638 0 40 DHAB CN1CCC(Nc2ccccc2NC(=O)C2CCCCC2)CC1 69663577 MGVQKQIIHWCFJB-UHFFFAOYSA-N 315.461 3.712 0 40 DHAB Clc1cccc(-c2nnc(Cn3cnc4ccccc43)o2)c1 69846098 KBSKPYBJPJADNA-UHFFFAOYSA-N 310.744 3.788 0 40 DHAB CN(C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72212625 CBHZBXPXYAJSDZ-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB Fc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)cc1 72243079 BUACVYVZCPTOTJ-SFHVURJKSA-N 322.387 3.574 0 40 DHAB Cc1ccc(C)c(C(=O)N(CC(F)(F)F)c2ccccn2)c1 84131243 SNKHKUVILBCPQH-UHFFFAOYSA-N 308.303 3.908 0 40 DHAB O=C(c1csnn1)N1CCCCC[C@@H]1/C=C/c1ccccc1 84515188 XQBLOCKBNJPBMM-AUECHBEKSA-N 313.426 3.636 0 40 DHAB CCC[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccn1 95350496 VKGZCXINBIXQPZ-SJORKVTESA-N 301.434 3.897 0 40 DHAB Cc1cc([C@H](NC(=O)N[C@H](C)CCCO)C(C)C)c(C)s1 95410347 STNBMPIRPXNPLI-IAQYHMDHSA-N 312.479 3.522 0 40 DHAB CC(C)C[C@H]1C[C@@H](NC(=O)c2cc3cccc(F)c3o2)CCO1 95991267 YUOOUCXBJFPOJZ-KBPBESRZSA-N 319.376 3.895 0 40 DHAB CC[C@H](C)c1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)on1 96422276 PRKSAYRCHFGXRE-WDEREUQCSA-N 302.378 3.608 0 40 DHAB CC[C@H](C(=O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96518068 BJZNNHNKUDXPGT-QGZVFWFLSA-N 316.422 3.750 0 40 DHAB Cn1/c(=N\C(=O)Cc2ccccc2)sc2cc(Cl)ccc21 100800309 MUQCVIZSLSWQLE-FBMGVBCBSA-N 316.813 3.563 0 40 DHAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc(F)cc2F)CCC1 102743712 BHMQUYOYGAKDPO-CYBMUJFWSA-N 318.283 3.583 0 40 DHAB CC[C@H](C)NC(=O)NC[C@H](CC(C)C)N[C@H](C)c1ccccc1 107137896 PRMXUEOOCRAFFI-JZXOWHBKSA-N 319.493 3.850 0 40 DHAB Brc1cccc(CNc2ccnc(C3CC3)n2)c1 110340067 RCVTVDKFQIRWNQ-UHFFFAOYSA-N 304.191 3.729 0 40 DHAB COc1cccc(NC(=O)COc2cc(C)nc3ccccc23)c1 192191808 HTFRFZUYGKFFNW-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(F)cc1 223664687 XATBUKKAOFINJC-UHFFFAOYSA-N 315.388 3.932 0 40 DHAB O=C(Nc1c(F)cccc1F)c1snnc1-c1ccccc1 225759518 IJMXPHOGGRPXNK-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225778437 CFGSKLFXCUVBPS-BFYDXBDKSA-N 301.430 3.802 0 40 DHAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 225793264 NIVDETXPRDQWEM-UHFFFAOYSA-N 321.355 3.767 0 40 DHAB O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cc2cc(F)ccc2[nH]1 584906719 BDEVKIDFPGPQJC-CJNGLKHVSA-N 312.319 3.732 0 40 DHAB Cc1cc(C(=O)Nc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)sc1C 1549725260 WVFDWEFANPKAKO-KGLIPLIRSA-N 315.394 3.805 0 40 DHAB C[C@@H]1CCCN(c2ncnc3ccc(Br)cc23)C1 99153 GCUWWIJRHOSIAG-SNVBAGLBSA-N 306.207 3.629 0 40 DHAB COc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 311900 XJBKWPVZRSCCEK-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB COc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 385088 FOVYHLYDXDKBPU-UHFFFAOYSA-N 315.131 3.788 0 40 DHAB C[C@]12C[C@H](NC(=O)N1c1cc(F)ccc1F)c1ccccc1O2 422982 OFCJRBVQXGKLMM-GUYCJALGSA-N 316.307 3.734 0 40 DHAB COc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)c(C)c1 1584164 DFHAMNZHTIXDLD-GFCCVEGCSA-N 300.354 3.893 0 40 DHAB COc1cc2c(c3oc4c(c(=O)c13)CCCC4)CCC(C)(C)O2 1763422 IGQPALVXNJOHPL-UHFFFAOYSA-N 314.381 3.784 0 40 DHAB Cc1cc(C)c(C(=O)COc2ncnc3ccccc23)cc1C 2620006 GFJRCMQSJREURV-UHFFFAOYSA-N 306.365 3.817 0 40 DHAB COc1ccc(C)cc1NC(=O)COc1cccc(Cl)c1 3516012 XUSDJGAPFOBOPX-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3536512 YKKMAYKMRCDTFH-UHFFFAOYSA-N 318.348 3.776 0 40 DHAB COc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1OC 3548282 AYJWEDYGZGUWKE-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB C[C@@H]1N(C)c2cc3c(cc2C1(C)C)c(C(F)(F)F)cc(=O)n3C 5141768 IOUKYANHUBKAIN-VIFPVBQESA-N 324.346 3.673 0 40 DHAB in-vitro Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(F)cc2)c1 5466918 SEUIVHURFDOXCC-UHFFFAOYSA-N 315.388 3.953 0 40 DHAB O=C(O)c1ccccc1C(=O)OCc1c(F)cccc1Cl 5679184 HYIWOZYVHKBBAK-UHFFFAOYSA-N 308.692 3.534 0 40 DHAB C[C@H](OC(=O)[C@H]1C[C@H]1C)C(=O)Nc1cc(Cl)cc(Cl)c1 5693494 HMTMJPKOYIKJIV-LWINAJNOSA-N 316.184 3.520 0 40 DHAB COc1cc(C(=O)O[C@H]2C[C@@H]3C[C@@]2(C)CC3(C)C)ccc1O 6202121 UYRQNTGJUQGOJG-MRAWALMUSA-N 304.386 3.772 0 40 DHAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 6942558 RGEHBJKACCLZFX-UHFFFAOYSA-N 323.371 3.878 0 40 DHAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 7200554 ZRDNPSDUUPCZLR-DOTOQJQBSA-N 311.429 3.526 0 40 DHAB O=C(CCC(=O)c1ccc(F)cc1)NCc1ccccc1Cl 8034530 DMJKKJNJBYYAFU-UHFFFAOYSA-N 319.763 3.758 0 40 DHAB COc1ccc(C)cc1CC(=O)N[C@@H]1CCCc2ccccc21 8077883 VOZGRZUZSGKCKA-GOSISDBHSA-N 309.409 3.740 0 40 DHAB C[C@@H](NC(=O)COc1c(Cl)cccc1Cl)c1ccco1 8132771 PCTOGNWTDZKLCZ-SECBINFHSA-N 314.168 3.843 0 40 DHAB Cc1cnc(NC(=O)c2ccc(Br)cc2F)s1 8775876 NSWKFRBAPSXQBP-UHFFFAOYSA-N 315.167 3.605 0 40 DHAB O=C(Nc1ccccn1)c1ccc(NC(=O)c2cccs2)cc1 8776529 PQDFAKHCJYTEJM-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB CC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)cc1 10311290 KQKCKBBQJYELFR-LJQANCHMSA-N 322.408 3.665 0 40 DHAB CCn1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)n1 11738205 NOSKHEWGJLNLAZ-UHFFFAOYSA-N 320.805 3.727 0 40 DHAB CCc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12640881 KXZCVQJKLPHMFF-NSHDSACASA-N 303.793 3.737 0 40 DHAB CC(C)c1c(C(=O)NCC2CC2)cnn1-c1cccc(Cl)c1 12978488 YOAJCOUIAUDYFJ-UHFFFAOYSA-N 317.820 3.789 0 40 DHAB C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)C1CC1 14141529 YBHIYVZMZPZTLG-LLVKDONJSA-N 314.410 3.529 0 40 DHAB Cc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1C 17120378 LNYRLELPQBAELT-UHFFFAOYSA-N 307.401 3.787 0 40 DHAB Fc1cccc(Nc2nc([C@@H]3CCCNC3)c3ccccn23)c1 19399761 IGERENJSGJNYLS-CYBMUJFWSA-N 310.376 3.684 0 40 DHAB CC[C@@H]1CCCCN1C(=O)c1ccc(-n2nc(C)cc2C)cc1 26997026 SKABYDKMSIWIAL-QGZVFWFLSA-N 311.429 3.894 0 40 DHAB Cc1cc(C)c2c(C)c(C(=O)N[C@@H](C)[C@H]3CCCO3)sc2n1 27885561 VJHJZKQMFWMFIT-QWHCGFSZSA-N 318.442 3.519 0 40 DHAB COc1ccc([C@H](NC(=O)c2ccoc2)c2ccccc2)cc1 32841630 CYNIDAIXXLHOIS-GOSISDBHSA-N 307.349 3.808 0 40 DHAB O=C(O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 34776352 MGTBRTQYQMKTJD-UHFFFAOYSA-N 315.756 3.631 0 40 DHAB COc1ccc2oc(C)c(C(=O)NCc3ccc(F)cc3)c2c1 41156389 WORWAQXUJNLJLA-UHFFFAOYSA-N 313.328 3.819 0 40 DHAB CC[C@H](C)c1ccc(OC[C@H]2CCNC2)c(Br)c1 42770406 VNQGNGYCEHFOAQ-RYUDHWBXSA-N 312.251 3.951 0 40 DHAB CC(C)NC/C=C/Oc1ccc(COCCOC(C)C)cc1 44699410 JZRKUNUKKCUCNI-VZUCSPMQSA-N 307.434 3.519 0 40 DHAB in-vitro O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1 44892579 JNUDMZPNXOZWBS-INIZCTEOSA-N 307.353 3.667 0 40 DHAB CSc1ccc([C@H]2SCC(O)=Nc3c2cnn3C)cc1 44921869 RZTBFTIAAGTQHP-CYBMUJFWSA-N 305.428 3.566 0 40 DHAB O=C(NCc1ccccc1CN1CCCC1)Nc1ccccc1 45560633 VFGAWLCJQXGWIC-UHFFFAOYSA-N 309.413 3.604 0 40 DHAB Cc1ccc2[nH]c([C@H]3CCN(C(=O)Nc4ccccc4)C3)nc2c1 49168705 UNMGDLFLPRFTJM-AWEZNQCLSA-N 320.396 3.893 0 40 DHAB biogenic,in-vitro O=C(CCNc1nc2ccccc2o1)N1CCCc2ccccc21 52385261 BYLBLZAYEDEYNI-UHFFFAOYSA-N 321.380 3.609 0 40 DHAB FC(F)(F)c1ccccc1CNCc1ccc2c(c1)OCO2 54991682 KDFDPMQMBQJGJO-UHFFFAOYSA-N 309.287 3.724 0 40 DHAB CC[C@@H](c1ccc(Cl)cc1)N1CCC(CNC(C)=O)CC1 57862079 LHLLPNSIRHWJSK-KRWDZBQOSA-N 308.853 3.639 0 40 DHAB COCO[C@H]1CCCN(c2ccccc2C(=N)CC(C)C)C1 65743343 OJRUJUHRNMSODK-HNNXBMFYSA-N 304.434 3.690 0 40 DHAB in-vitro O=c1[nH]ncc(N2Cc3ccccc3-c3ccccc3C2)c1Cl 69458993 RLBFPCZLKPTUBD-UHFFFAOYSA-N 323.783 3.611 0 40 DHAB CN(C(=O)c1ccco1)C1CCN(c2ccc(Cl)cc2)CC1 69527733 ULYUBBDCZOTFPP-UHFFFAOYSA-N 318.804 3.674 0 40 DHAB CCN(Cc1ccoc1)C(=O)N[C@H](C)c1ccc(F)cc1F 69538850 WDVIJFRCCZAAEU-LLVKDONJSA-N 308.328 3.851 0 40 DHAB CSC[C@H](C)N(C)C(=O)Nc1cccc(N(C)C(C)C)c1 77475927 FGZBVTLNNNENOW-ZDUSSCGKSA-N 309.479 3.746 0 40 DHAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1ccccc1 79188654 CVKZCYPNRMKDEP-CQSZACIVSA-N 306.317 3.542 0 40 DHAB biogenic C[C@H](CC(=O)Nc1cn(C)nc1C(F)(F)F)c1ccccc1 89894555 UDVFSFVMPQBFQG-SNVBAGLBSA-N 311.307 3.571 0 40 DHAB Cc1cc(C(=O)N[C@H]2CC[C@H]2c2ccccc2)c2c(C)noc2n1 95403679 MQPBUZLAUYMENE-HOCLYGCPSA-N 321.380 3.516 0 40 DHAB c1ncn(Cc2ccc(CN[C@@H]3CCCc4sccc43)cc2)n1 95419767 DQCIZZWITCJFQV-QGZVFWFLSA-N 324.453 3.555 0 40 DHAB O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCCCC1 95696155 XWCXSCINGFOTIO-IBGZPJMESA-N 308.425 3.530 0 40 DHAB COC(=O)c1ncccc1OCc1csc(C2CCCC2)n1 95974998 ZGLGPZDMWMMART-UHFFFAOYSA-N 318.398 3.561 0 40 DHAB CC(C)(O)[C@H]1CCCN1Cc1csc(-c2ccc(F)cc2)n1 95978822 SASGBDYPFVGVTD-OAHLLOKOSA-N 320.433 3.685 0 40 DHAB CC[C@@H](C)n1nccc1NC(=O)Cc1cc(-c2ccccc2)on1 96411991 MVZGOZIBSQWZSA-CYBMUJFWSA-N 324.384 3.690 0 40 DHAB Cc1cnn(Cc2nnc(-c3c(Cl)cccc3Cl)o2)c1 96428974 UIFCMHIMCWEJQT-UHFFFAOYSA-N 309.156 3.597 0 40 DHAB C[C@H](NC(=O)NC[C@@H](C)Sc1ccccc1)c1ccccn1 96437626 CDPSDRUVUNYBNR-KGLIPLIRSA-N 315.442 3.623 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C 96659222 MNBJZEJKIBUQBZ-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 96761801 OHGBDTSGLNJUNY-UHFFFAOYSA-N 317.816 3.856 0 40 DHAB CCNC(=O)c1ccc(CNC/C(C)=C/c2ccccc2)cc1 102422459 YALJLKOMEGOKKH-DTQAZKPQSA-N 308.425 3.629 0 40 DHAB C[C@@H](NC(=O)COc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108869946 IQLFKLHHRFOXPQ-DVZHBHJUSA-N 307.821 3.660 0 40 DHAB CCCOC(=O)c1ccc(Nc2ccccc2OCC)c(N)c1 225430934 POGGQWVXXLQHIF-UHFFFAOYSA-N 314.385 3.978 0 40 DHAB Nc1ccc(Nc2ccccc2Cl)c(C(=O)NC2CC2)c1 225469934 HYTYDKCACNFTDR-UHFFFAOYSA-N 301.777 3.558 0 40 DHAB Nc1ccc(N2CCCCC2)c(NC(=O)c2cccs2)c1 226254156 YLKOZKJBWKKDNU-UHFFFAOYSA-N 301.415 3.573 0 40 DHAB C[C@@H]1CC[C@@H]1COc1ccc(I)cc1 242718267 XHQQLNGLVKBORD-NXEZZACHSA-N 302.155 3.716 0 40 DHAB Cc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)cc1F 257289155 PXFFKRFOLVKOAM-UHFFFAOYSA-N 312.388 3.624 0 40 DHAB CCOC(=O)c1cc(C(C)(C)C)nn1Cc1cccc(C)c1 166897 NAILUNOYAKADCU-UHFFFAOYSA-N 300.402 3.714 0 40 DHAB FC(F)(F)c1cccc(-c2nnc3sc(C4CC4)nn23)c1 385214 NOXBKNDXEMQVKI-UHFFFAOYSA-N 310.304 3.749 0 40 DHAB CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CCCC2 551901 DLBRFXOTRHFXEN-UHFFFAOYSA-N 309.431 3.788 0 40 DHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1)C2 1369837 BKPJKUIMKNLOFF-IAGOWNOFSA-N 317.502 3.769 0 40 DHAB C[C@H]1CN(C(=S)Nc2ccccc2)CCN1c1ccccc1 1575377 YKQGPJJZGWOABL-HNNXBMFYSA-N 311.454 3.594 0 40 DHAB O=C1O[C@@H]([C@H]2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 1855492 AKBGLPRWJDGEQF-FXAWDEMLSA-N 318.372 3.832 0 40 DHAB NCCCCCc1nnc(SCc2ccccc2Cl)o1 2391194 YNDBDUSVDPXEJE-UHFFFAOYSA-N 311.838 3.687 0 40 DHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC(C)CC1 2624419 UBQRGLZNVLIMRZ-GOSISDBHSA-N 319.489 3.764 0 40 DHAB CCCCNc1c(C=O)c(=O)oc2cc(N(CC)CC)ccc12 3092933 ADGWMNRNXXOELC-UHFFFAOYSA-N 316.401 3.664 0 40 DHAB C[C@H]1CCc2nc(-c3cc4ccc(O)cc4oc3=O)sc2C1 3168757 LHQJCMABASVDMR-VIFPVBQESA-N 313.378 3.747 0 40 DHAB ClC1(Cl)C[C@@H]1CNc1ncnc2sc3c(c12)CCC3 3399101 COPZYULRFWWCPX-SSDOTTSWSA-N 314.241 3.786 0 40 DHAB COc1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1 3431185 BMISONVOAVCXMW-UHFFFAOYSA-N 324.207 3.975 0 40 DHAB Cc1cc(C(=O)CCC(=O)NCc2ccc(F)cc2)c(C)s1 3554487 GIJHLXBWPSNODF-UHFFFAOYSA-N 319.401 3.783 0 40 DHAB CCc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 3571420 HSQVKFMGGDZMGE-UHFFFAOYSA-N 307.349 3.770 0 40 DHAB CCn1c(SCc2cccnc2)nnc1-c1cccc(C)c1 4160844 IIFROHGTAQTTHA-UHFFFAOYSA-N 310.426 3.961 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C)CC2=O)cc1 4610690 YQCLIVOVHCTQIK-INIZCTEOSA-N 323.392 3.570 0 40 DHAB O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccccc1 4854159 MDLONZWHNWQQIW-LJQANCHMSA-N 323.440 3.935 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nncs1 5101225 MSHHLJUBPTYELN-SECBINFHSA-N 303.412 3.691 0 40 DHAB Cc1ccsc1C(=O)OCc1cc(Cl)cc2c1OCOC2 5110494 CQZARUMWTCFZEK-UHFFFAOYSA-N 324.785 3.933 0 40 DHAB COc1ccc(C[C@H](C)CC(=O)Nc2ccc(OC)cc2)cc1 5170673 OCCLDECMPRZCBW-AWEZNQCLSA-N 313.397 3.911 0 40 DHAB COc1cc(C)c(NC(=O)c2ccc(F)cc2F)cc1OC 5616875 JZBYQNHNKSFNTQ-UHFFFAOYSA-N 307.296 3.543 0 40 DHAB C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1C(C)(C)C 6007998 BXGXPPXTLUSKMR-JKSUJKDBSA-N 305.462 3.598 0 40 DHAB CCCCOc1ccc(C(=O)NC2CCCCC2)cc1OC 7778318 NLSOUWMZFNKINA-UHFFFAOYSA-N 305.418 3.937 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)c1C 7819048 FRROPVACYXAVSF-NSHDSACASA-N 321.323 3.763 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)NCCc1cccs1 8710859 BABZHXXMEPUIHR-UHFFFAOYSA-N 324.449 3.815 0 40 DHAB CC(C)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 8714187 VRAJQEYGSDVPNX-UHFFFAOYSA-N 315.800 3.957 0 40 DHAB Cc1ccc(N[C@@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1 12112958 KJFWVVFDNNZPHC-CQSZACIVSA-N 316.357 3.772 0 40 DHAB Cc1cccc(N[C@H](c2ccc(C)cc2C)P(=O)(O)O)c1 12536576 RZLAEUBAISLIGZ-INIZCTEOSA-N 305.314 3.900 0 40 DHAB Clc1ccc2nc(CSc3nccn3C3CC3)cn2c1 12541393 OTRPUPLVPPWUFN-UHFFFAOYSA-N 304.806 3.811 0 40 DHAB CSc1ccc(CN(C)C(=O)c2ccc(Cl)nc2)cc1 12982438 RGKKONKUKALDEZ-UHFFFAOYSA-N 306.818 3.729 0 40 DHAB Cc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 12993950 PQMVBXKCGMCPEY-FQEVSTJZSA-N 322.452 3.755 0 40 DHAB O=C(COc1ccccc1)NCC1(c2cccs2)CCCC1 13803063 FMSIZYZNRSGJLU-UHFFFAOYSA-N 315.438 3.755 0 40 DHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1Cc2ccccc2S1 14047538 BCLBHAUOISILGC-MRXNPFEDSA-N 317.841 3.716 0 40 DHAB O=C(NC1CC1)[C@H](Sc1ccccc1F)c1ccccc1 14167149 AUHRYYIGSGOXIY-MRXNPFEDSA-N 301.386 3.938 0 40 DHAB Nc1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2F)c1 19231185 VYIFZTMZZVPTRH-UHFFFAOYSA-N 300.667 3.592 0 40 DHAB CCOc1ccccc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1 19520206 GHJHNGAZORRNBS-MAUKXSAKSA-N 314.429 3.883 0 40 DHAB CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(N)c2)cc1 19736678 JHUFMYRTEJITPM-UHFFFAOYSA-N 312.413 3.974 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccccc1 20108418 KBUVABJKEAUHPS-INIZCTEOSA-N 321.467 3.838 0 40 DHAB COc1ccccc1C(=O)Nc1ccc(F)cc1Br 20430091 CVEPLYNHBLSXCV-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB CCCCC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 25346123 QFTIQHNYYZGRTG-VXGBXAGGSA-N 320.458 3.818 0 40 DHAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)c1cccs1 32405661 KYXCSIUVFJHMNF-SNVBAGLBSA-N 315.847 3.749 0 40 DHAB COc1ccc2c(c1)[C@H](C)N1C(=O)c3cc(Cl)ccc3[C@@H]1O2 35324785 KDBATVNHYJHSPM-XYZCENFISA-N 315.756 3.957 0 40 DHAB COCc1cccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1 40548515 FUMTZINUWJIFEM-UHFFFAOYSA-N 313.353 3.506 0 40 DHAB CCSCCC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 55654037 HBCUKFZUTIIXLG-CQSZACIVSA-N 323.458 3.635 0 40 DHAB COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1N 57340403 AYZXJAZUCGORHN-UHFFFAOYSA-N 322.364 3.692 0 40 DHAB Cc1ncsc1C(=O)Nc1nc2cc(F)c(F)cc2s1 58341596 IDNJOSOOZXYRQT-UHFFFAOYSA-N 311.338 3.592 0 40 DHAB Cc1cc(C)c(-c2nnc(SCc3noc(C)n3)o2)c(C)c1 69454592 DFLZWKLGOFRWER-UHFFFAOYSA-N 316.386 3.646 0 40 DHAB CC(C)NC(=O)CCCC(=O)Nc1ccc2sccc2c1 69812885 LHGUHYYWVQEQAJ-UHFFFAOYSA-N 304.415 3.535 0 40 DHAB CC(C)c1ccc(C[S@](=O)CCC(=O)NC2CCCC2)cc1 69817976 QQLXQZRKSWJKJQ-QFIPXVFZSA-N 321.486 3.508 0 40 DHAB Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2C)c(N)c1 70462908 CXWHVZLEHZSIAG-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Cc1cc(CNC(=O)COc2ccc(C(C)C)cc2)c(C)o1 70640389 IPOLRKRWATWSPS-UHFFFAOYSA-N 301.386 3.715 0 40 DHAB Cc1cc(C[S@@](=O)Cc2csc(-c3cccs3)n2)on1 71859144 CNYDNSSRYYHUIT-HXUWFJFHSA-N 324.452 3.617 0 40 DHAB CC(C)c1cnc(CN2CCC[C@H]2c2noc(C(C)C)n2)o1 75611483 NQFYVZMLTMTHOI-LBPRGKRZSA-N 304.394 3.642 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@H](Nc2nc3ccccc3s2)C1 78619935 SANLPVCSNFPVIV-NSHDSACASA-N 319.430 3.718 0 40 DHAB COc1cccc([C@H](C)Sc2ccccc2S(C)(=O)=O)c1 83597134 QPBUOHHWRLPYMP-LBPRGKRZSA-N 322.451 3.952 0 40 DHAB C[C@H](c1cccc(Br)c1)N1CCN2CCCC[C@@H]2C1 94432241 XUBABOMOGAUIIY-CZUORRHYSA-N 323.278 3.680 0 40 DHAB Cc1ccc(C(=O)Nc2cc(C)c3c(c2)C(C)(C)C(=O)N3C)cc1 96182144 DZCMJEQOQGLMEB-UHFFFAOYSA-N 322.408 3.810 0 40 DHAB C[C@]1(C(=O)N2CCCCCC2)CC(c2ccccc2Cl)=NO1 96192916 ZBBRENRZVACOEQ-QGZVFWFLSA-N 320.820 3.626 0 40 DHAB Cc1nc(C)c(C(=O)N2CCSc3ccc(Cl)cc32)o1 96451135 NHZFZMNHWQZKRK-UHFFFAOYSA-N 308.790 3.697 0 40 DHAB CC(C)c1nc([C@H](C)NC(=O)c2ccc(C(=O)O)s2)cs1 97017759 RMXOZNFWZBINAE-QMMMGPOBSA-N 324.427 3.517 0 40 DHAB Cc1cccc(NC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)n1 97142685 NULPKPGORSLMBM-CYBMUJFWSA-N 316.430 3.696 0 40 DHAB c1cncc(CN(Cc2cn3ccccc3n2)Cc2ccco2)c1 97237255 ICHMVKLNTWVEEP-UHFFFAOYSA-N 318.380 3.525 0 40 DHAB O=C(Nc1ncccc1OCC1CCCCC1)[C@H]1CCCCO1 126550511 HPLIQDYITBNPFE-MRXNPFEDSA-N 318.417 3.548 0 40 DHAB COc1ccccc1CCCNC(=O)Cc1ccc(C)c(C)c1 218804678 DGBVZHLKFIGMHB-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1 224606753 VKLTVFBOVKJDEK-SJORKVTESA-N 311.425 3.991 0 40 DHAB CC(C)C(NC(=O)COc1ccc2c(c1)CCCC2)C(C)C 225235140 NAACDQGWXDLWBJ-UHFFFAOYSA-N 303.446 3.741 0 40 DHAB CC(C)Oc1ccc(I)c2cccnc12 225390928 GXCKDFLTTNXFIV-UHFFFAOYSA-N 313.138 3.627 0 40 DHAB Cc1ccc(CSCCNC(=O)Cc2ccccc2F)cc1 225444460 YVSNJKDZPVOMCY-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB CC[C@H](CNC(=S)Nc1cc(C)ccn1)Cc1ccccc1 225633949 IJWBYRGYGODTGI-HNNXBMFYSA-N 313.470 3.945 0 40 DHAB CO[C@@H](CNC(=O)Cc1ccsc1)c1ccc(Cl)s1 225704348 AYLRZPHIKYGKGU-JTQLQIEISA-N 315.847 3.509 0 40 DHAB Cc1cccc([C@H]2CCCCCN2C(=O)CC2CCNCC2)c1 237795456 OOSPBSGFKLGGTP-LJQANCHMSA-N 314.473 3.828 0 40 DHAB Cc1csc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)c1 257276553 NUGFBFRIFOPEIW-LBPRGKRZSA-N 306.456 3.841 0 40 DHAB CC1(C)CN(C(=O)CCc2cccc(O)c2)C[C@@H]1c1ccccc1 1548673943 ZSCXHUZQEBMCCA-LJQANCHMSA-N 323.436 3.977 0 40 DHAB c1cc2c(NCc3ccc(-c4ccoc4)cc3)ncnc2cn1 1775972664 QFSSFLPSIZXVRM-UHFFFAOYSA-N 302.337 3.897 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2OC(F)F)c1 386386 BRXTUOHPIGPFEF-UHFFFAOYSA-N 321.323 3.922 0 40 DHAB CCn1c(COc2cccc(C)c2)nnc1SCC(C)C 419287 NBKTYHZFEZAFKK-UHFFFAOYSA-N 305.447 3.934 0 40 DHAB O=C(COc1ccccc1)NC(c1ccccc1)c1ccccc1 522934 XZZWOADSFGZGIE-UHFFFAOYSA-N 317.388 3.971 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc2nccnc2c1 4705223 PMZIZYGFIXGZPF-GFCCVEGCSA-N 304.353 3.613 0 40 DHAB CN(C)CCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 4942970 YIQFCULBVMFGTR-UHFFFAOYSA-N 310.800 3.780 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 5443290 NJNHDASNEMBWMX-KRWDZBQOSA-N 311.381 3.763 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1 5573089 JJCCFGZHNPXPEB-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB Sc1nnc(-c2ccc3ncccc3c2)n1-c1ccccc1 5757251 RYBRJJQHBOLEJV-UHFFFAOYSA-N 304.378 3.771 0 40 DHAB COc1ccccc1CCC(=O)Nc1ccccc1N1CCCC1 6606630 RIOIYDUSVZTIOP-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB COC(=O)c1c(CN(C)c2ccccc2)nc2ccccc2c1C 7115485 QHIBCJMQTVZATI-UHFFFAOYSA-N 320.392 3.966 0 40 DHAB COc1cc(C)c(Nc2ncnc3sccc23)cc1OC 7983234 PHYYVDLAKQUMGA-UHFFFAOYSA-N 301.371 3.761 0 40 DHAB COc1ccc(C(=O)Nc2ccc3scnc3c2)cc1OC 10217445 HRSDLMWJWCKYOL-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB O=C1CCc2cc(C(=O)Nc3cccc4ccccc34)ccc2N1 12599357 YOHUYXGDPSWFCZ-UHFFFAOYSA-N 316.360 3.977 0 40 DHAB COc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1F 12915500 DXCLAGLGBBVBOK-KRWDZBQOSA-N 313.372 3.984 0 40 DHAB Cc1ccc(CS(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1 13668265 JGFZGBLMTYHSHH-MRXNPFEDSA-N 317.454 3.792 0 40 DHAB COc1ccccc1[C@H](C)NC(=S)Nc1ccc(F)cc1 16317350 WMKSCSOHWDOXLJ-NSHDSACASA-N 304.390 3.882 0 40 DHAB CC(C)OCCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 20050310 VSYDPSQBZRPWIV-OAHLLOKOSA-N 307.434 3.509 0 40 DHAB C[C@@H]1CN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C[C@@H](C)O1 20963690 JETKPNKLDQCJMG-IJLUTSLNSA-N 321.808 3.560 0 40 DHAB CCO[P@@](C)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 21993304 HNSKHOXTQXRRLA-HXUWFJFHSA-N 316.677 3.993 0 40 DHAB CCc1cc(C(=O)O)c2c(C3CC3)nn(Cc3ccccc3)c2n1 22637809 YVHRNGRYZYXACD-UHFFFAOYSA-N 321.380 3.618 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3nnco3)c2)C1(C)C 24738306 VCUCYYPTQIBKRM-CABCVRRESA-N 311.385 3.914 0 40 DHAB Cn1cc(NC(=O)c2ccc(-c3cccs3)cc2F)cn1 25310096 HXOXDZQOAIVYHN-UHFFFAOYSA-N 301.346 3.540 0 40 DHAB CC(C)c1ccc(NC(=O)c2c(O)c3ccccc3oc2=O)cc1 26330585 VCCFRLHTISNFQV-UHFFFAOYSA-N 323.348 3.874 0 40 DHAB CCCCNC(=O)c1cccc(OCc2csc(C)n2)c1 26939530 TWHALSFNWMIJMH-UHFFFAOYSA-N 304.415 3.560 0 40 DHAB Cc1ccc(OC[C@H](O)CN2CCC(C)CC2)c(C(C)(C)C)c1 27531028 XVLCCMGLLHQIMU-QGZVFWFLSA-N 319.489 3.764 0 40 DHAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@@H](C)CC 32601842 HNZMLCZYVPIURK-ZDUSSCGKSA-N 313.463 3.594 0 40 DHAB CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 32794637 ZMJVNQKWRJQINN-UHFFFAOYSA-N 317.454 3.805 0 40 DHAB Cc1ccc(C)c(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1 40094979 UUSNHKVDMNCTMU-INIZCTEOSA-N 318.804 3.812 0 40 DHAB CN(C)C(C)(C)CNC(=O)c1sc2ccccc2c1Cl 42159421 HPZNXPGASOFKNU-UHFFFAOYSA-N 310.850 3.625 0 40 DHAB Cc1ccc(CN(C(=O)COc2ccccc2Cl)C2CC2)o1 46282774 CCKDPCXMIPXOLT-UHFFFAOYSA-N 319.788 3.811 0 40 DHAB O=C(c1ccc(F)cc1F)N1CCC(Nc2ccccc2)CC1 48292070 ZQWWNOBDMNVITP-UHFFFAOYSA-N 316.351 3.682 0 40 DHAB O=C1c2ccccc2N[C@H](/C=C/c2ccco2)N1CC(F)(F)F 48302528 WYTGUZVXNUCUMK-NPQIQWPPSA-N 322.286 3.749 0 40 DHAB CC[C@H](NCc1nc2c(C)cccc2c(=O)[nH]1)c1ccc(C)cc1 49609472 HAAUAMKAQZHZPE-KRWDZBQOSA-N 321.424 3.781 0 40 DHAB CC(C)(C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 54564380 JWEBFAYUXGHACH-UHFFFAOYSA-N 306.793 3.842 0 40 DHAB Cc1nccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)n1 58402550 XIKCUTVABMCPTH-VIFPVBQESA-N 324.211 3.925 0 40 DHAB CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccoc1 68774468 AKFKWXKKUIREOT-UHFFFAOYSA-N 302.330 3.879 0 40 DHAB CCNc1nnc(SCc2csc(-c3ccoc3)n2)s1 71888011 GXLVRYZSSVGTLY-UHFFFAOYSA-N 324.456 3.979 0 40 DHAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CC(C1CC1)C1CC1 72234133 WONSBNBEBWUFNU-KRWDZBQOSA-N 315.461 3.527 0 40 DHAB CCOCC(=O)Nc1cc(C)ccc1SCC(F)(F)F 75142592 VSYCULSPBGVSCQ-UHFFFAOYSA-N 307.337 3.624 0 40 DHAB CC1(NC(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 84673523 HDDYNRYHTCBSOF-UHFFFAOYSA-N 303.189 3.684 0 40 DHAB c1cc(NCc2cscn2)cc(-c2cn3c(n2)CCCC3)c1 95428795 FRMMYSAQOYYCBF-UHFFFAOYSA-N 310.426 3.955 0 40 DHAB O=C(Cc1cccc(Cl)c1)NCCSCc1ccco1 224851917 HSDVGNNXWWLBFH-UHFFFAOYSA-N 309.818 3.525 0 40 DHAB CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1C 225404516 VEZJXEUURJHGAD-INIZCTEOSA-N 311.381 3.647 0 40 DHAB Cc1ccncc1NC(=O)c1ccc(Oc2nccs2)cc1 225636347 CGAFRRQGXAQCCP-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB COc1ccc(NC(=S)NC2(C)CCCCC2)cc1OC 225850166 GZPAJOGFWDKHSK-UHFFFAOYSA-N 308.447 3.713 0 40 DHAB NNc1nc2c(Cl)cc(NC(=O)C3CCCCC3)cc2s1 226312604 OWDGTCANBRSUHK-UHFFFAOYSA-N 324.837 3.754 0 40 DHAB Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)CCc2ccccc2)n1 257286138 PKLKOMLACUCPPE-HXUWFJFHSA-N 323.440 3.564 0 40 DHAB Fc1ccccc1CN1CC[C@H](c2nc(-c3ccccc3)no2)C1 257313509 USWQNEPQEGHABZ-INIZCTEOSA-N 323.371 3.865 0 40 DHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 409008895 AAXLAPLPCRQRTM-LUHPIMIVSA-N 305.399 3.838 0 40 DHAB CC(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409204373 GDWKXXCUUFHWOB-LDADJPATSA-N 320.392 3.903 0 40 DHAB Cc1ccc2[nH]c(C(=O)N3CCC(=O)CC34CCC4)cc2c1C 585126522 BCUJUTDKXYYNNK-UHFFFAOYSA-N 310.397 3.513 0 40 DHAB O=C(CSc1nc2n(n1)CCCCC2)c1ccc(Cl)cc1 396055 KLKHMPOCAMBNBE-UHFFFAOYSA-N 321.833 3.633 0 40 DHAB S=c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2[nH]1 425007 MCGABXBLLKYEJX-UHFFFAOYSA-N 311.366 3.633 0 40 DHAB CC(C)N1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C 494667 ZOUWSRNDQYYJLB-INIZCTEOSA-N 310.825 3.868 0 40 DHAB O=C1CSC(SC(=O)Oc2ccc(Cl)cc2Cl)=N1 1671018 JLNXLAAFOZEIBM-UHFFFAOYSA-N 322.194 3.855 0 40 DHAB CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 2400421 AZYBPQSWPOOMFP-UHFFFAOYSA-N 313.470 3.676 0 40 DHAB CC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 3216464 NYQSXBXRIMMOSV-UHFFFAOYSA-N 315.344 3.745 0 40 DHAB CC(C)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 3531928 LTSUCJAIJHQPCM-UHFFFAOYSA-N 308.472 3.622 0 40 DHAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C)c1C 4103925 LJTRYQCDTROSMS-UHFFFAOYSA-N 303.383 3.712 0 40 DHAB CCSc1nc(NC(N)=O)c2c3c(sc2n1)CCCCC3 4807486 JKZHMMADAWGLPS-UHFFFAOYSA-N 322.459 3.563 0 40 DHAB CC(=O)Nc1ccc(Sc2ccccc2COC(C)=O)cc1 6262410 AAMWBCCOOVEHKO-UHFFFAOYSA-N 315.394 3.859 0 40 DHAB O=C(Cc1cccs1)Nc1ncc(C(F)(F)F)cc1Cl 6863517 KJQLKGKCLYBSEL-UHFFFAOYSA-N 320.723 3.997 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2cc(C)cc(C)c2)cc1 7582739 VPTCLUJQAPPSRB-UHFFFAOYSA-N 314.454 3.977 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1csc(-c2ccccc2)n1 8060238 DRWBVRFXVLWSGW-UHFFFAOYSA-N 324.361 3.791 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 10541858 WICKLZZGHWKNBO-UHFFFAOYSA-N 301.773 3.942 0 40 DHAB Cc1cc(C)cc(NC(=O)CCc2ccc3c(c2)OCCO3)c1 10754965 BRCIQRWDFWTRNF-UHFFFAOYSA-N 311.381 3.646 0 40 DHAB CCCNC(=O)[C@H](C)Sc1nc(C2CC2)nc2ccccc12 10949161 IRAFKDJSXNQNLJ-NSHDSACASA-N 315.442 3.514 0 40 DHAB COc1ccccc1OCCCCn1c(C=O)nc2ccccc21 11735035 UQSUZRLVVHTLPF-UHFFFAOYSA-N 324.380 3.717 0 40 DHAB CCC(CC)C(=O)Nc1nc(-c2ccc(OC)cc2)ns1 12111617 QAMSTESARDHUDB-UHFFFAOYSA-N 305.403 3.588 0 40 DHAB Cc1cc(C)c2c(NCc3cccc4cccnc34)n[nH]c2n1 12143045 SFRKEHYIDQKACN-UHFFFAOYSA-N 303.369 3.735 0 40 DHAB Cc1cc(-c2cnc(NCc3ccco3)nc2-c2ccoc2)on1 12252170 KOGRXBJWBQIGDQ-UHFFFAOYSA-N 322.324 3.905 0 40 DHAB COc1ccc(-n2ncc3c2C[C@H](c2cccs2)CC3=O)cc1 14164172 SYROZDCWWOEEHM-LBPRGKRZSA-N 324.405 3.855 0 40 DHAB C[C@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1ccc(Cl)cc1 14411657 IZXNZPBIHLLWRH-MQJDWESPSA-N 321.829 3.568 0 40 DHAB Cc1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 19736114 WTMHQGDXTHDHKX-UHFFFAOYSA-N 312.413 3.892 0 40 DHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccnc(Cl)c1 24993249 ADBGJYTXCLEIIW-LLVKDONJSA-N 304.777 3.543 0 40 DHAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)c1 28852996 FPUSHRUCMLRLJI-SNVBAGLBSA-N 318.323 3.607 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2F)no1 29242934 UKEKGNOHXDYIOU-CQSZACIVSA-N 308.740 3.753 0 40 DHAB Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)sc1C 32469309 FVUIGFHWFNTQMP-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB Cc1cc(CNC(=O)N[C@@H](C)CCc2ccco2)ccc1F 32779695 HADOPGWKAZLEHZ-ZDUSSCGKSA-N 304.365 3.548 0 40 DHAB O=C(CCc1ccccc1)NCc1cccc(CN2CCCC2)c1 32818562 FARUBFLAUFDAKZ-UHFFFAOYSA-N 322.452 3.531 0 40 DHAB COC(=O)c1cc2c(OCc3ccccc3)c(OC)ccc2[nH]1 38243100 RDRSQRYMJIRHQZ-UHFFFAOYSA-N 311.337 3.542 0 40 DHAB CCc1nc2ccc(C(=O)Nc3cc(C)ccn3)cc2nc1CC 40012892 JTDJBNJLRUZOHT-UHFFFAOYSA-N 320.396 3.710 0 40 DHAB O=C1CCCN1Cc1ccccc1CNc1nc2ccccc2o1 44975325 BHFMMNORBIDQHG-UHFFFAOYSA-N 321.380 3.562 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1 49890889 VMKZHGTVMCCPBU-ZDUSSCGKSA-N 303.789 3.766 0 40 DHAB O=C(CCc1ccccc1Br)NCc1ccsc1 53086261 CPJVLDSFQUERNY-UHFFFAOYSA-N 324.243 3.760 0 40 DHAB Cc1nc2ccc(NC(=O)[C@H](C)n3cnc4ccccc43)cc2o1 58357444 GYTALRCPRVKEAP-NSHDSACASA-N 320.352 3.686 0 40 DHAB CC[C@H](C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 64709470 OGHRQAJEHLSVOT-KKUMJFAQSA-N 319.449 3.562 0 40 DHAB CCOC(=O)c1cnc2c(C)ccc(F)c2c1N(CC)CC 64874835 UPBLHPWDLQYBHA-UHFFFAOYSA-N 304.365 3.705 0 40 DHAB Cn1c(SCc2ccc(F)c(F)c2)nnc1-c1ccco1 72614140 CUXCWCOGRGBBTK-UHFFFAOYSA-N 307.325 3.646 0 40 DHAB O=c1c(C(F)(F)F)cccn1CCOc1ccc(Cl)cc1 73752581 GARYZQOBPKXVAF-UHFFFAOYSA-N 317.694 3.600 0 40 DHAB C[C@H](OC(=O)c1cc2cc(F)ccc2s1)c1cnccn1 75092156 AMKLVMDKAKIFEN-VIFPVBQESA-N 302.330 3.748 0 40 DHAB CC(C)(CNC(=O)c1cc2cccc(F)c2o1)[C@@H]1CCCCO1 79102051 JTZCBSOGWIWBIL-HNNXBMFYSA-N 319.376 3.897 0 40 DHAB Cc1nnc(CN(Cc2cc(F)ccc2F)C2CCCC2)o1 83446785 SAURQEFQNJDWIV-UHFFFAOYSA-N 307.344 3.601 0 40 DHAB CCC(=O)N1CC[C@H](NCc2ccc3ccccc3c2)[C@H](CC)C1 89949001 MYISRYVKJWFWIP-XLIONFOSSA-N 324.468 3.967 0 40 DHAB O=C(Nc1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 96435670 QZBSPZFKSFQFTH-ROUUACIJSA-N 310.397 3.807 0 40 DHAB Cc1cnn(-c2ccncc2NCc2cnc(C3CC3)s2)c1 96493841 JBXMBTJUFSSJFD-UHFFFAOYSA-N 311.414 3.522 0 40 DHAB Cc1cc(C)n(C(=O)c2nc(-n3cccc3)sc2C(C)C)n1 96511588 ZXXSEMMINROBEC-UHFFFAOYSA-N 314.414 3.559 0 40 DHAB Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)Cc2cccs2)n1 97109797 FHTLSFAQYHGFME-QWRGUYRKSA-N 323.487 3.547 0 40 DHAB Cc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1Cl 100283519 SPIIDRMCTHYLNE-IAGOWNOFSA-N 321.804 3.709 0 40 DHAB O=C(O)[C@H]1CC[C@@H](C(=O)c2cccc(Br)c2)CC1 100449864 PNLUUWXXVKDKPP-MGCOHNPYSA-N 311.175 3.523 0 40 DHAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 106858208 OGEMETWMVAMJBN-DYWXZXKOSA-N 300.446 3.994 0 40 DHAB C[C@@H](NC(=O)COc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 108869950 IQLFKLHHRFOXPQ-LMOYCYGVSA-N 307.821 3.660 0 40 DHAB COC(=O)CCCCC(=O)c1ccc2cc(OC)ccc2c1 137340340 RTNQSYVUFXZIAR-UHFFFAOYSA-N 300.354 3.765 0 40 DHAB CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(OC(C)(C)C)cc2)C1 157237091 XMPSKZSAWMRXOM-ZBFHGGJFSA-N 318.461 3.525 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(COC)c1 175932105 ZRWJAUPTBGDFIF-KRWDZBQOSA-N 313.397 3.938 0 40 DHAB CCC(=O)N1CC[C@H](N[C@@H](C)c2cc3ccccc3s2)C1 188156487 BMHLVSKIGLAEOX-JSGCOSHPSA-N 302.443 3.563 0 40 DHAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cnoc2C)CCS1 219291508 DNGRJAJFONELHN-INIZCTEOSA-N 316.426 3.612 0 40 DHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1c1ccccc1 224151165 HDCDOZKLJKJJNR-IRXDYDNUSA-N 321.405 3.852 0 40 DHAB CCCCCNC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 224853818 DBHOBWFXJDHPSB-UHFFFAOYSA-N 316.401 3.589 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(C)cc2Cl)cc1 225002499 YRGGTAGGSWJOOT-UHFFFAOYSA-N 303.789 3.977 0 40 DHAB Cc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)cc1Cl 225427021 DYNDYYVSMFYFGJ-UHFFFAOYSA-N 315.804 3.866 0 40 DHAB CCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCC(C)CC1 225720919 YACFRXPOCSEXJK-UHFFFAOYSA-N 305.418 3.928 0 40 DHAB Fc1ccc(C[n+]2cccc(-c3nc4ccccc4o3)c2)cc1 226308278 SFIXCOOQXUFJMG-UHFFFAOYSA-N 305.332 3.970 0 40 DHAB CC1(c2nccs2)CCN(Cc2ccc(Cl)cn2)CC1 257214170 CKWSGMUQVZTOJL-UHFFFAOYSA-N 307.850 3.745 0 40 DHAB O=C(NC1CCC(F)(F)CC1)c1cc(Br)cs1 341525156 IBURRGGWYSJXMC-UHFFFAOYSA-N 324.190 3.818 0 40 DHAB COc1cccc(NC(=O)N2CC[C@H](c3cccs3)C2)c1 824781962 GXQTUQQDRTZANA-LBPRGKRZSA-N 302.399 3.778 0 40 DHAB CC(C)(C)OC(=O)NCc1ccc(F)c(F)c1Br 1083811699 FQLWSCBIDFZADP-UHFFFAOYSA-N 322.149 3.752 0 40 DHAB Cc1oc2ccc(OC(=O)C(C)C)cc2c1C(=O)OC(C)C 44055 GJGLRKDOZRQPLO-UHFFFAOYSA-N 304.342 3.868 0 40 DHAB biogenic Cc1cc(Cl)ccc1O[C@H](C)C(=O)n1nnc2ccccc21 484272 WNXVKDAPKVUFEL-LLVKDONJSA-N 315.760 3.501 0 40 DHAB CN(C)c1nc(N)ncc1-c1ccc(Oc2ccccc2)cc1 1384708 IERSTBYMJVHVAU-UHFFFAOYSA-N 306.369 3.584 0 40 DHAB CCOC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)OCC 1625048 SIQFBETXJAVNCI-UHFFFAOYSA-N 324.376 3.863 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)OCCc2ccc3c(c2)OCO3)C1(C)C 1711309 XBCLVCWFHKVHDH-YOEHRIQHSA-N 316.397 3.739 0 40 DHAB O=c1oc(Nc2cccc(C(F)(F)F)c2)nc2ccccc12 3135991 NCFWNAGDFTUTSR-UHFFFAOYSA-N 306.243 3.950 0 40 DHAB C[C@@H](NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccccc1 3332745 OFBJAGWIGNWIDQ-CQSZACIVSA-N 316.832 3.649 0 40 DHAB Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1C 3607405 RZABOZGJZRWVIG-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccco2)o1 4107310 IBAVPMXPMZDULC-UHFFFAOYSA-N 319.320 3.664 0 40 DHAB COc1ccc2sc(Nc3ccc4c(c3)OCCO4)nc2c1 4272551 PEUOTQMDCLWXOZ-UHFFFAOYSA-N 314.366 3.820 0 40 DHAB CCCSc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 5561098 DPLKIRRRDBEYHM-VIFPVBQESA-N 318.471 3.966 0 40 DHAB O=c1c(Cc2ccc(F)cc2)c(O)ccn1C1CCCCC1 5763468 AUCCOQYIZAFNKU-UHFFFAOYSA-N 301.361 3.789 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccccc2)cc1 5818283 VBFMSGYZSBTLLJ-SFHVURJKSA-N 303.365 3.776 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN1[C@H](C)CCC[C@H]1C 6455204 FXMYFPOBYHRDNB-ZACQAIPSSA-N 305.462 3.813 0 40 DHAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OC 6892562 DCHZHAFDWWKDIV-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB CCC(=O)c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 7419984 FZHNIBNPHJCRBO-UHFFFAOYSA-N 308.337 3.908 0 40 DHAB Fc1ccc(F)c(C2=NN=C(Nc3ccccc3)SC2)c1 7849361 AIRBWVQSDADFKQ-UHFFFAOYSA-N 303.337 3.884 0 40 DHAB COCCNC(=S)N[C@@H](C)c1ccc(-c2ccccc2)cc1 7981211 BSENMYGAAXIFTP-AWEZNQCLSA-N 314.454 3.525 0 40 DHAB O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)[C@H]1CCCO1 8187575 SJJRZNDACKBZCV-OAHLLOKOSA-N 308.337 3.612 0 40 DHAB Cc1cc(C)c(NC(=O)C(=O)NCCC2CCCCC2)c(C)c1 8333276 GQGLFVQHTBAVBD-UHFFFAOYSA-N 316.445 3.637 0 40 DHAB CC[C@H](CO)NCc1cccc(OCc2ccccc2Cl)c1 8337114 SRRTZUFJSDKPLK-MRXNPFEDSA-N 319.832 3.780 0 40 DHAB CNCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 8377098 XPQYOMICKWAWPF-UHFFFAOYSA-N 318.848 3.618 0 40 DHAB O=C(Nc1ccnn1Cc1ccsc1)c1cc2ccccc2o1 9112359 JRCZSUDFUZEENA-UHFFFAOYSA-N 323.377 3.991 0 40 DHAB COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1 10295395 YKBWQRQKMYEYGK-GFCCVEGCSA-N 315.394 3.593 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2[nH]cnc2c1 12546280 PXVKXWBCLOCMCI-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB Cc1nnc(SCc2c(C(=O)O)oc3ccccc23)s1 13394534 BTAWZOYWKHBKQZ-UHFFFAOYSA-N 306.368 3.583 0 40 DHAB in-vitro COc1ccc([C@H]2OC[C@@]3(CO)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 13576528 RJYHUHMMBLCXKJ-JCTKKGROSA-N 302.414 3.594 0 40 DHAB CC(C)Cc1nnc2sc(-c3ccc(F)c(Cl)c3)nn12 13721989 QYTIPHHJBUWNKG-UHFFFAOYSA-N 310.785 3.844 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)no1 13985454 OZNOGSVQDKXLHM-QMMMGPOBSA-N 315.156 3.696 0 40 DHAB Cc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 14262470 YVALZARKPSJXIO-HNNXBMFYSA-N 308.381 3.525 0 40 DHAB [O-][n+]1ccccc1Oc1ncnc2scc(-c3ccccc3)c12 15170932 IXHXHLMAHWRUSG-UHFFFAOYSA-N 321.361 3.784 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2OC)cc1 15471792 LHTWRXHUFOVSKM-JWAFFJSPSA-N 311.381 3.594 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)s1 15797243 YXVOQZQAVWDTEK-IUCAKERBSA-N 302.237 3.819 0 40 DHAB CCOc1ccc(NC(=O)c2cccc(OC)c2)c2cccnc12 15840735 COPUINJOTNOQQS-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB Fc1ccc([C@@H]2COC[C@H]2NCc2ccc(Cl)cc2)cc1 19334707 PJTZQEBDMODSGL-DLBZAZTESA-N 305.780 3.751 0 40 DHAB COc1cc(C)c(NC(=O)CCc2ccccc2F)cc1OC 19596537 BRYMLHKYXSVBCI-UHFFFAOYSA-N 317.360 3.723 0 40 DHAB C[C@H]1CCc2onc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1 20572116 YJWRVNUFPFYGHM-QMMMGPOBSA-N 308.740 3.844 0 40 DHAB CC(C)NCC[C@H](c1ccccc1)c1cc(C(=O)O)ccc1O 22053996 LXKJBTVDQUGPBU-MRXNPFEDSA-N 313.397 3.610 0 40 DHAB in-vitro COC(=O)c1ccoc1CSc1nc2ccc(Cl)cc2[nH]1 23398071 BZOYVFCXXGBCPN-UHFFFAOYSA-N 322.773 3.888 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1cccnc1N1CCCC1 23674910 HNMDCKDNEAFYQD-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB C[C@H]1CCc2nc(NC(=O)C(Cl)(Cl)Cl)sc2C1 28225673 SSYLPOTYBJTECD-YFKPBYRVSA-N 313.637 3.577 0 40 DHAB O=C(O)Cc1csc(Nc2ccc(C(F)(F)F)cc2)n1 33507702 LQLKGMWSBBEFOY-UHFFFAOYSA-N 302.277 3.533 0 40 DHAB Cc1ccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)c(C)c1 36635426 TYWWZNIQAQQJQL-MRXNPFEDSA-N 322.408 3.664 0 40 DHAB C[C@@H](SCCOc1ccccc1)C(=O)Nc1ccccc1F 36701199 ACRSWPXQSZXHFE-CYBMUJFWSA-N 319.401 3.965 0 40 DHAB CC(C)[C@@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccccc1 40002684 OHCMDCOUVYMADX-WMLDXEAASA-N 316.470 3.740 0 40 DHAB COc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C)cc1 40073361 SNHVZLYCEZJRQV-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB O[C@H](c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 42658094 VATOPGPWROYFDG-GOSISDBHSA-N 308.381 3.778 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(NC(=O)C2CC2)c1 44103352 UEDRZWHMLQNGIU-BLLLJJGKSA-N 315.417 3.735 0 40 DHAB CCc1nc(NC(=O)c2ccc(Br)o2)sc1C 44318239 SCNPCEOBMHHMOA-UHFFFAOYSA-N 315.192 3.622 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)NC2CC(C)(C)NC(C)(C)C2)C1(C)C 48311017 XOJFICJMISYQQV-CABCVRRESA-N 306.494 3.650 0 40 DHAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C(C)(C)C)C1 48344973 OUXGLXZPBCAJKI-HZPDHXFCSA-N 316.489 3.827 0 40 DHAB COc1ncccc1NC(=O)N(C)Cc1c(F)cccc1Cl 48414795 QTVWQNUAPYIQBZ-UHFFFAOYSA-N 323.755 3.547 0 40 DHAB O=C(O)c1cnc(-c2ccc(F)cc2)nc1NCc1ccccc1 49469811 MSKWNCJTNWKDDA-UHFFFAOYSA-N 323.327 3.593 0 40 DHAB Cc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 50548011 ZVEVNSCCHJMREB-JYRVWZFOSA-N 300.339 3.682 0 40 DHAB CCSc1ccccc1NC(=O)COc1ccccc1F 55703794 XYXRURILDFDNAU-UHFFFAOYSA-N 305.374 3.955 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(C2CC2)on1 65417172 VSANISRFAGIZFG-ZDUSSCGKSA-N 302.399 3.763 0 40 DHAB CCOCc1cccc(NC(=O)c2cc(C)n(C(C)(C)C)n2)c1 69518594 ORYDIZDPCMLQHK-UHFFFAOYSA-N 315.417 3.735 0 40 DHAB COc1c(C)cnc(CSc2nnc(C(C)(C)C)o2)c1C 69662636 BLCNRHPTRTWHBP-UHFFFAOYSA-N 307.419 3.680 0 40 DHAB O=C(NCc1ccccc1F)[C@@H](c1ccccc1)n1cccc1 70636924 YTHNPCRTSDRHBU-GOSISDBHSA-N 308.356 3.533 0 40 DHAB CC[C@H](C)c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889949 UXHISJHHQFRYQY-LBPRGKRZSA-N 304.365 3.819 0 40 DHAB Cc1ccsc1C(=O)NCC1(c2ccccc2)CCOCC1 72265230 RCXFFCWAUDTQMQ-UHFFFAOYSA-N 315.438 3.535 0 40 DHAB COCc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1 72285860 UMDXTIJFMYQYDR-HNNXBMFYSA-N 316.426 3.657 0 40 DHAB Cc1ccc(CCCC(=O)Nc2ccc([S@](C)=O)cc2)cc1 72298062 SGBNHVOKZNAWDQ-JOCHJYFZSA-N 315.438 3.694 0 40 DHAB O=[S@](Cc1ccc(F)cc1)Cc1ccc(OC(F)F)cc1 78556227 UZQWUHIWRFWJGF-NRFANRHFSA-N 314.328 3.876 0 40 DHAB CCOc1ccc2ccccc2c1COC(=O)[C@H]1CCO[C@H]1C 92309404 TWYWSADOLPKJPC-ZFWWWQNUSA-N 314.381 3.707 0 40 DHAB O=c1ccccn1CCCCN[C@@H]1CCc2cc(Cl)ccc21 95421250 NJPUHSKGPKFCBK-QGZVFWFLSA-N 316.832 3.559 0 40 DHAB C[C@@H](CCc1ccco1)Nc1ccc(N2CCOC2=O)cc1 95990972 QHKLTMQFJSHJLR-ZDUSSCGKSA-N 300.358 3.669 0 40 DHAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccccc2F)n1 96296229 IEKDRYKMJALMTB-HNNXBMFYSA-N 318.392 3.685 0 40 DHAB biogenic,in-vitro Cc1noc2nc(C3CC3)cc(-c3nc(-c4ccncc4)no3)c12 96406053 UZMPWVDQOUZOQO-UHFFFAOYSA-N 319.324 3.521 0 40 DHAB CC(C)(C)Sc1cc(C(=O)N2CCCSCC2)ccn1 96496796 TUGUVILMRDCUGF-UHFFFAOYSA-N 310.488 3.551 0 40 DHAB C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cccnc1 97014665 NWTBYHYRFRJPMM-CYBMUJFWSA-N 319.355 3.620 0 40 DHAB c1ccc(-c2n[nH]cc2CNc2nnc(-c3cccs3)o2)cc1 97114552 XQIOHJYGBCNMIR-UHFFFAOYSA-N 323.381 3.800 0 40 DHAB C[C@H](NC(=O)c1cc(-c2cccs2)on1)[C@H]1C[C@H]2CC[C@H]1C2 103154327 PUSWQNOSDFODDA-ZDEQEGDKSA-N 316.426 3.958 0 40 DHAB C[C@@H](NC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccs1 193189726 QXZKVFUUDYLDIL-ZJUUUORDSA-N 306.353 3.793 0 40 DHAB O=C(O)c1ccc(OCc2c(Cl)cccc2Cl)cc1O 216933160 QWEKCWZYCLEQJY-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB O=C([C@@H]1CCOc2ccccc21)N1[C@H]2CC[C@H]1c1ccccc12 265726428 PMYPOXGBKYURSW-SQNIBIBYSA-N 305.377 3.971 0 40 DHAB c1ccc2sc(N3CCC(N4CCCCC4)CC3)nc2c1 298750373 UJDSJHKYEFRFNC-UHFFFAOYSA-N 301.459 3.751 0 40 DHAB Cc1cccc(C(=O)N2CCn3c(-c4cccs4)cnc3C2)c1 306134664 NUYGEPHMISWGHB-UHFFFAOYSA-N 323.421 3.576 0 40 DHAB CC(C)(C)C1CCN(Cc2ccccc2N2CCOCC2)CC1 512547760 SAKCICURGUVLNI-UHFFFAOYSA-N 316.489 3.781 0 40 DHAB CC[C@@H]1CN(Cc2ccc(-c3cccc(F)c3C)o2)C[C@@H]1O 535807590 UHXKNNFQGSNQFT-DYVFJYSZSA-N 303.377 3.597 0 40 DHAB Cc1cnc(N2CCC(COc3ccncc3Cl)CC2)s1 2298187915 CWTNQTXUFRICSZ-UHFFFAOYSA-N 323.849 3.795 0 40 DHAB CCCC(=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 57571 DIOAEWNUCWIZQK-UHFFFAOYSA-N 300.232 3.517 0 40 DHAB Cc1cc(C)n(C(=O)CSc2nc3ccccc3s2)n1 545686 SSHGNGPVGMIRKF-UHFFFAOYSA-N 303.412 3.542 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 562809 LLBRHZZMQGKJGV-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1ccccc1OCC(=O)Nc1nc2ccc(F)cc2s1 1261719 WQAWDMXRKJTFAM-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB O=C(COc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 2582377 IQWXZXVJTHUXDO-UHFFFAOYSA-N 311.259 3.603 0 40 DHAB COc1ccccc1-c1cc(C(F)F)c2c(C)nn(C)c2n1 2741073 OOZNHQDFAVUQRP-UHFFFAOYSA-N 303.312 3.890 0 40 DHAB Cc1ccc(C)c(NC(=O)CSc2ncnc3ccccc23)c1 3254433 RQNQZQUDDLEIDR-UHFFFAOYSA-N 323.421 3.977 0 40 DHAB Cc1ccc(C)c(SCC(=O)Nc2ccc3c(c2)OCO3)c1 3499284 DWTNLRBQXMMRIV-UHFFFAOYSA-N 315.394 3.763 0 40 DHAB COc1cc(C)ccc1OCC(=O)Nc1cccc(SC)c1 3511203 KVDCUUVZUFLPMR-UHFFFAOYSA-N 317.410 3.743 0 40 DHAB CC1(C)[C@@H](C[C@@H]2OC[C@H](CN3CCCCC3)O2)[C@H]2CC[C@@H]1C2 4185208 IUQYLYYXKZJRJM-FLXSYLCISA-N 307.478 3.676 0 40 DHAB COc1ccc(Cc2nnc(CCc3ccccc3)s2)cc1 4689515 LAKZBOYITCXWSE-UHFFFAOYSA-N 310.422 3.923 0 40 DHAB COc1ccc(NC(=O)c2cc3sccc3n2C)cc1OC 4971190 RCPWAJVBWILBTD-UHFFFAOYSA-N 316.382 3.509 0 40 DHAB C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N1CCCC1 5696610 HYXVWFAQGNRRNG-LLVKDONJSA-N 300.324 3.518 0 40 DHAB CC(=O)N(C)CCCCc1cnc(C)c2[nH]c3ccccc3c12 6130211 BCCCBOFRSPINSB-UHFFFAOYSA-N 309.413 3.826 0 40 DHAB biogenic Cc1ccccc1N[C@H]1SC(=O)N(c2ccccc2C)C1=O 8416180 VTSNPOYGZGTROP-HNNXBMFYSA-N 312.394 3.941 0 40 DHAB CCc1nnc(NC(=O)C2(c3ccccc3)CCCC2)s1 9502929 HQVSURSSXGPHBQ-UHFFFAOYSA-N 301.415 3.551 0 40 DHAB Cc1ccc(-c2nnc(CSc3nc(C)cc(C)n3)o2)cc1 11692901 XLANCXURFZRFHD-UHFFFAOYSA-N 312.398 3.744 0 40 DHAB C[C@@]1(C(=O)Nc2nc3c(s2)CCCCC3)CC1(Cl)Cl 12402168 VENCLMSGLBIZEK-LBPRGKRZSA-N 319.257 3.934 0 40 DHAB O=C(COC(=O)c1cc(-c2ccccc2)cs1)c1ccc[nH]1 12686737 JRGRMHDFLNCSMZ-UHFFFAOYSA-N 311.362 3.783 0 40 DHAB COc1ccccc1OCCC(=O)Nc1cccc(SC)c1 12773310 SQUIJYHFKBPHBQ-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB CCC(CC)c1nnc(NC(=O)COc2cccc(C)c2)s1 12820853 DDFOBUQEVVRDKU-UHFFFAOYSA-N 319.430 3.768 0 40 DHAB CN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 13041011 ALTWOSUVDVZYOJ-UHFFFAOYSA-N 306.768 3.550 0 40 DHAB Oc1ccccc1N1CCN(Cc2c(F)cccc2Cl)CC1 13141335 TXAPHMXHOHXZFO-UHFFFAOYSA-N 320.795 3.507 0 40 DHAB CC(=O)c1ccc(NC(=S)NCCc2cccc(F)c2)cc1 13577431 CXFNHIQDFLUPFM-UHFFFAOYSA-N 316.401 3.557 0 40 DHAB O=C(OCc1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1 13770347 QNNMDPYBOYWTAR-UHFFFAOYSA-N 313.740 3.539 0 40 DHAB COc1ccc(CCC(=O)Nc2c(C)cccc2C)cc1OC 20914578 GKIAAEUIVREZAQ-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB Cc1ccc(CNC(=O)c2sc(-c3cccnc3)nc2C)cc1 22237477 VAHMRRDYVISIQW-UHFFFAOYSA-N 323.421 3.752 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1 22250530 AJVVLAYYWHBJIE-NSHDSACASA-N 319.788 3.848 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 25334670 HNLUAPPOJKPOIP-ZDUSSCGKSA-N 301.411 3.952 0 40 DHAB Cc1cccc(OCC(=O)Nc2nc3c(s2)CC[C@@H](C)C3)c1 27583376 VADDTNWWQZYFLZ-GFCCVEGCSA-N 316.426 3.594 0 40 DHAB CN1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@H]21 29562295 DMJWENQHWZZWDF-MJGOQNOKSA-N 313.828 3.980 0 40 DHAB in-vitro O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)CCO2 31343356 QKZAAEBMOVZOFA-UHFFFAOYSA-N 303.361 3.956 0 40 DHAB CCc1ccc([C@H](NC(=O)c2cc(C(C)=O)c[nH]2)C(C)C)cc1 32768929 FEECUXGQRAQVKD-GOSISDBHSA-N 312.413 3.907 0 40 DHAB Cc1nc2ccccc2nc1NC[C@@H](O)c1ccc(Cl)cc1 32771231 CTTULABBOYKDQU-MRXNPFEDSA-N 313.788 3.737 0 40 DHAB O=Cc1cccc(OCc2ccc(Br)cc2F)c1 35082326 CBRBADJDYCMRLI-UHFFFAOYSA-N 309.134 3.980 0 40 DHAB Cc1nnsc1-c1nnc(SCc2ccc(Cl)cc2)o1 36631326 NACKUSUTOAYYQG-UHFFFAOYSA-N 324.818 3.842 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc2ccccc2c1 36744729 XSLFZKUWVQVRNZ-GFCCVEGCSA-N 308.381 3.865 0 40 DHAB Cc1cccc(N2C(=O)SC[C@]23C(=O)Nc2ccccc23)c1 39324351 WFSVDIDZBCKCCP-KRWDZBQOSA-N 310.378 3.516 0 40 DHAB O=C(CC(F)(F)F)Nc1cccc(COCc2ccco2)c1 46683809 GYUZGHBFLZGRPH-UHFFFAOYSA-N 313.275 3.887 0 40 DHAB Cc1nccn1-c1ccc(CNc2nc3ccccc3s2)cn1 52510410 KTNXETVJNKTMIR-UHFFFAOYSA-N 321.409 3.798 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1 56330160 PAVAPYQMVZYTFA-UHFFFAOYSA-N 324.302 3.508 0 40 DHAB Cc1ccsc1CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 57785020 YPSDVNQZQGUPJA-QGZVFWFLSA-N 314.454 3.508 0 40 DHAB CCO[C@H](C)C(=O)Nc1ccccc1N1CCc2ccccc21 58363044 SMAZGSXRPCKQNM-CQSZACIVSA-N 310.397 3.744 0 40 DHAB Cc1nccn1-c1ccccc1CNc1ncnc2sccc12 58406800 NSTPRWIEYRVZDZ-UHFFFAOYSA-N 321.409 3.798 0 40 DHAB CCCN(Cc1cc(=O)n2ccsc2n1)CC1CCCCC1 60495733 IULFIRQYQUEZLU-UHFFFAOYSA-N 319.474 3.548 0 40 DHAB CC(C)(C)c1cc(NC(=O)c2cnc(-c3ccccc3)nc2)on1 71916718 QNGBWHIJYYGWNX-UHFFFAOYSA-N 322.368 3.681 0 40 DHAB C[C@H]1CN(Cc2c(C3CCCC3)[nH]c3ncccc23)C[C@@H](C)O1 72393346 LCESVPMCNCNJJM-OKILXGFUSA-N 313.445 3.830 0 40 DHAB CCOC(=O)c1cc(N)cc2nc(-c3ccc(Cl)cc3)oc12 73641923 VLUBJLHECMHNIY-UHFFFAOYSA-N 316.744 3.907 0 40 DHAB C[C@@H]1CCN(C(=O)Cc2n[nH]c3ccccc23)[C@@H](c2ccco2)C1 75386848 SAUUZCWZTHFDQB-CXAGYDPISA-N 323.396 3.698 0 40 DHAB C[C@@H](c1cc(F)ccc1F)N(C)Cc1nc(C(C)(C)C)no1 76721220 QUOXGEOQWAGPFC-JTQLQIEISA-N 309.360 3.838 0 40 DHAB CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccn(C)c1 84743174 BKRJAJLUNJOZQE-UHFFFAOYSA-N 302.393 3.997 0 40 DHAB CC(C)c1noc(CN2CC=C(c3c[nH]c4ccccc34)CC2)n1 89893642 HTBAUIUNQIHGBV-UHFFFAOYSA-N 322.412 3.964 0 40 DHAB Cc1cc([C@H](NC(=O)N[C@@H](C)CCCO)C(C)C)c(C)s1 95410345 STNBMPIRPXNPLI-XHDPSFHLSA-N 312.479 3.522 0 40 DHAB OC1=Nc2ncn(-c3ccccc3)c2[C@H](c2cccnc2)SC1 95476712 HCUXNRNWXWXDAU-INIZCTEOSA-N 322.393 3.692 0 40 DHAB CNCc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 95971499 GJVIRSGHYCISFZ-HZPDHXFCSA-N 314.816 3.802 0 40 DHAB O=C(c1cncc(F)c1)N(c1cccc2cccnc12)C1CCC1 96467942 YHKPXNDYNJILGA-UHFFFAOYSA-N 321.355 3.968 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2C[S@](C)=O)c1Cl 97139717 GDRCGUISXJXTNP-OAQYLSRUSA-N 321.829 3.779 0 40 DHAB Cc1coc(-c2ccc(C)c(NC(=O)NCCOC(C)C)c2)n1 97375185 YMXDNFWKDDCODV-UHFFFAOYSA-N 317.389 3.505 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3ccccc13)[C@@H]1C=C[C@@H]2C12CC2 100292850 FZFDSNPOONNEQV-LAQRGFTBSA-N 315.372 3.541 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@]2(c3ccc(Cl)cc3)O[C@@H]2C1 114319805 IEKJNOVFRINURO-CJNGLKHVSA-N 309.793 3.575 0 40 DHAB Cc1cc(C)nc(Nc2cccc(C(=O)NC3CCCCC3)c2)n1 170564448 VUEFMMLUYOCKLZ-UHFFFAOYSA-N 324.428 3.900 0 40 DHAB Cc1cnc(C2(C)CCN(Cc3csc(C)n3)CC2)s1 257302609 SDNXTWOMTNJBHE-UHFFFAOYSA-N 307.488 3.770 0 40 DHAB CC(C)c1ccc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)cc1 515737873 SAZCDKBYQUSNFK-GOSISDBHSA-N 315.438 3.946 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(OC(F)(F)F)cc1 575359232 WQFWYTMIIVNXNR-UHFFFAOYSA-N 304.264 3.501 0 40 DHAB COC(=O)c1ccccc1Nc1ccccc1Br 1857794270 RBZHNXULPJJVLN-UHFFFAOYSA-N 306.159 3.979 0 40 DHAB S=C(NCc1ccccc1)N1CCCC[C@@H]1c1cccnc1 240149 OFSHQNOGDDEWPU-QGZVFWFLSA-N 311.454 3.683 0 40 DHAB biogenic COc1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl 341438 PYJAIQMSTWXEGT-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB c1ccc(CCc2nn3c(-c4ccccc4)nnc3s2)cc1 383133 UTVADMILALJFGZ-UHFFFAOYSA-N 306.394 3.638 0 40 DHAB COP(=O)(OC)O/C(C)=C/C(=O)O[C@H](C)c1ccccc1 2036837 XXXSILNSXNPGKG-HCRIHEDKSA-N 314.274 3.612 0 40 DHAB in-man COc1ccc([C@H](C)n2c(=S)[nH]c3ccccc3c2=O)cc1 2790937 JPAFZNBWVKXGHN-NSHDSACASA-N 312.394 3.677 0 40 DHAB O=C(CCC(=O)c1cccs1)NCc1ccc(Cl)cc1 3262820 FTBHZWSANDYEBT-UHFFFAOYSA-N 307.802 3.681 0 40 DHAB CC(C)Oc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 5465836 KWRTUBZZVXEPKQ-UHFFFAOYSA-N 301.361 3.585 0 40 DHAB Clc1ccc2nc(Cl)c(NCc3ccccn3)nc2c1 5590428 GREXDTSPJZUSJC-UHFFFAOYSA-N 305.168 3.944 0 40 DHAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 5814502 AYLQZEIADHXPLR-IZZDOVSWSA-N 315.800 3.857 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)c2ccccc2o1 6408877 GYVSWRTZLKIKNS-AWEZNQCLSA-N 321.376 3.544 0 40 DHAB COc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1 6767543 OYRMQKLKYDHLKJ-UHFFFAOYSA-N 319.411 3.631 0 40 DHAB Cc1c(Cl)cccc1NC(=O)c1cc(=O)[nH]c2ccccc12 7670199 MHFPSPOBXAGPCO-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCCCCC1 8039894 IDCUKWIHWPHZQX-AATRIKPKSA-N 321.804 3.527 0 40 DHAB CCC(=O)Nc1cccc(C(=O)OCc2cccc(F)c2)c1 8040430 OYIHYOMLLIDVJK-UHFFFAOYSA-N 301.317 3.531 0 40 DHAB COCCOc1ccccc1C(=O)Nc1ccccc1Cl 8723017 NKJKKRDYMKPQBR-UHFFFAOYSA-N 305.761 3.618 0 40 DHAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(CC(C)C)nc3c12 9061333 ZBETVHVLOCYTSQ-UHFFFAOYSA-N 319.412 3.884 0 40 DHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCCCCC1 9061833 XECGUZWRRMLKER-UHFFFAOYSA-N 322.257 3.867 0 40 DHAB O=C(Nc1ccnc(Cl)c1)c1ccc(Cl)nc1Cl 9302937 OIJCMXHBQWXUGK-UHFFFAOYSA-N 302.548 3.689 0 40 DHAB CCC[C@H](CC(=O)Nc1nc2ccccc2s1)n1ccnc1 9338004 OZXINAKSIAUGOP-GFCCVEGCSA-N 314.414 3.863 0 40 DHAB CS(=O)(=O)c1ccc(-c2csc(-c3ccsc3)n2)cc1 9478958 TUXIQTUOECMTDZ-UHFFFAOYSA-N 321.448 3.942 0 40 DHAB O=C(CCc1ccsc1)N1CCc2[nH]c3ccccc3c2C1 9902013 NXMUBGRGVBJJPD-UHFFFAOYSA-N 310.422 3.747 0 40 DHAB Cc1sc2nc([C@H](C)Sc3nncs3)nc(N)c2c1C 10658664 KUYJSGWQXXNWBD-ZETCQYMHSA-N 323.472 3.595 0 40 DHAB Cc1ccc(N2C[C@H](c3nc(-c4ccccc4)no3)CC2=O)cc1 12416145 ZCLWMBHPQADVDB-OAHLLOKOSA-N 319.364 3.566 0 40 DHAB CCCCO[P@](C)(=O)OC[C@H]1CCCN2CCCC[C@@H]12 12656926 MHYQTYYTGDIMIE-SIFCLUCFSA-N 303.383 3.907 0 40 DHAB biogenic O=C(c1ccco1)N1CCC(c2onc3c2CCCCC3)CC1 13266358 WESKZJOZSCKSFI-UHFFFAOYSA-N 314.385 3.556 0 40 DHAB Cc1ccc(-c2nnc3sc(/C=C/c4ccco4)nn23)cc1 13483487 OAQRUJBHJBGDBS-CMDGGOBGSA-N 308.366 3.925 0 40 DHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(C)c(C)c1 14206584 PYPBIRGZBHDTDM-UHFFFAOYSA-N 320.392 3.759 0 40 DHAB CCOc1c(Cl)cc(C(=O)N[C@@H](C)c2ccco2)cc1OC 14242811 NBBZWUCWDPASTD-JTQLQIEISA-N 323.776 3.831 0 40 DHAB CCN(CCCNC(=O)/C=C/c1cccs1)c1ccccc1 14903622 YJCDBHWCYYTCLI-VAWYXSNFSA-N 314.454 3.794 0 40 DHAB Cc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 18164892 MKNHNEOFLFOENW-UHFFFAOYSA-N 301.353 3.868 0 40 DHAB Cc1cc(N)ccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 19736344 YFETWQWXLLMCCG-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Fc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1 19877307 BFNLXKUMFCFPFW-UHFFFAOYSA-N 312.432 3.576 0 40 DHAB Cc1cc(C(=O)NOCc2ccccc2)c(C)n1Cc1ccco1 25283942 BAAFOLZRBMOOGN-UHFFFAOYSA-N 324.380 3.608 0 40 DHAB C[C@@H]1CN(c2cc(C(F)(F)F)nc3ccccc23)C[C@@H](C)O1 26134638 VLCKBWLASSYZRO-GHMZBOCLSA-N 310.319 3.867 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2F)no1 29242929 UKEKGNOHXDYIOU-AWEZNQCLSA-N 308.740 3.753 0 40 DHAB CCn1cc(Cl)c(C(=O)Nc2nc3c(C)cccc3s2)n1 32611568 PQFPNFLQWKSJON-UHFFFAOYSA-N 320.805 3.727 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)CCc1ccco1 32779684 ZYTSQETYIWBJEI-HUUCEWRRSA-N 300.402 3.970 0 40 DHAB O=C(CCC(=O)N1CCc2ccccc21)c1ccc(Cl)s1 33026890 IQGSFYIDVDMTMO-UHFFFAOYSA-N 319.813 3.954 0 40 DHAB CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1 33373281 QHXBYJRUEXSIEL-UHFFFAOYSA-N 308.337 3.636 0 40 DHAB O=C(O)c1cccn1-c1ccc(Br)cc1Cl 35431404 UOSKBEQFUOLHPY-UHFFFAOYSA-N 300.539 3.591 0 40 DHAB Cc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCC4)c23)cc1 36618325 GMKWUZAHXKJPKR-UHFFFAOYSA-N 321.380 3.743 0 40 DHAB CCC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 36694835 KMNVHGBKKYGSDP-MRXNPFEDSA-N 311.381 3.980 0 40 DHAB COc1ccc(/C=C(\C)c2n[nH]c(-c3ccccc3O)n2)cc1 40268141 RMOUBBDSAUVVOO-VAWYXSNFSA-N 307.353 3.746 0 40 DHAB Cc1nc(NCc2csc(C)n2)c2c3c(sc2n1)CCC3 42109120 WVCWWLNKFWXGRC-UHFFFAOYSA-N 316.455 3.865 0 40 DHAB Fc1ccccc1CN(CCCn1ccnc1)Cc1cccnc1 43277827 MKHYURZEBMSGLI-UHFFFAOYSA-N 324.403 3.510 0 40 DHAB CC(=O)c1csc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 44361170 RDHVDDBIJPPDAK-RKDXNWHRSA-N 320.336 3.653 0 40 DHAB Oc1nc(CN2CCC[C@@H]2c2ccsc2)nc2ccsc12 44977601 FYYQJYCNLNUQLW-GFCCVEGCSA-N 317.439 3.796 0 40 DHAB COc1c(C)cnc(CNC(=O)c2sccc2C2CC2)c1C 50770109 GLHDSNJZGLEICN-UHFFFAOYSA-N 316.426 3.576 0 40 DHAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1c1ccccc1 53794172 QFPJDLBLVRNRQT-SFHVURJKSA-N 318.376 3.505 0 40 DHAB O=C(CCC1CCCC1)NC[C@H](c1cccs1)N1CCCC1 57288281 RYMPBFXVBIFCEW-MRXNPFEDSA-N 320.502 3.972 0 40 DHAB COc1ccc(N(C(=O)c2ccc(C)nc2)[C@H](C)C2CC2)cc1 58180590 JPUSRQRRBDZESY-CQSZACIVSA-N 310.397 3.844 0 40 DHAB CC(C)c1nnc(NC(=O)CS[C@H](C)c2ccc(F)cc2)o1 58249580 ZTBMTKKIBICTJF-SNVBAGLBSA-N 323.393 3.765 0 40 DHAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1Cc1cccc(F)c1 71836445 YXAQOWMSFFFCIZ-IXDOHACOSA-N 313.372 3.756 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1 72214901 SKQSZKGIKNUXMJ-CQSZACIVSA-N 305.422 3.656 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 76094288 OQDFAHGWDZCTPX-FIKIJFGZSA-N 314.426 3.509 0 40 DHAB Cc1nc(C)c(CNC(=O)Nc2nc(C(C)C)cs2)s1 84062470 ITLSBABJEACESZ-UHFFFAOYSA-N 310.448 3.662 0 40 DHAB O[C@H](CN(Cc1ccccc1)Cc1ccccn1)c1cccs1 84535723 XSLAKBUJIXDNHQ-GOSISDBHSA-N 324.449 3.879 0 40 DHAB Cc1nc(C)c(COC(=O)/C=C/c2ccc3[nH]ccc3c2)s1 95451846 DWQBXTBCFHWESD-GQCTYLIASA-N 312.394 3.998 0 40 DHAB N=C(NC(=N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 95868091 WACUTUAJONDJMA-UHFFFAOYSA-N 322.199 3.977 0 40 DHAB Cc1cnc(NC(=O)[C@H](C)Oc2ccccc2Cl)c(C)c1 96002234 UVWFVTZITVXVFW-LBPRGKRZSA-N 304.777 3.758 0 40 DHAB Cc1ccc(CS(=O)(=O)N(Cc2ccsc2)C2CC2)cc1 96025737 ODBBHCGJVPPERH-UHFFFAOYSA-N 321.467 3.551 0 40 DHAB CCO[C@@H]1C[C@H](NCc2nc3ccccc3o2)C1(CC)CC 97164322 LLMUKIKUYXFHMS-JKSUJKDBSA-N 302.418 3.901 0 40 DHAB C[C@@H](c1ccccc1)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 116597090 ZRRQJEOGSURZRN-USXIJHARSA-N 316.445 3.689 0 40 DHAB Cc1cccc(OCCNC(=O)Cc2ccccc2Cl)c1C 223972063 LWLMTXKEQMIRCN-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC1CCCCC1 224119593 RKEIGWPEWOOXPV-CQSZACIVSA-N 301.430 3.782 0 40 DHAB CCO[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132451 IABGSXRFUXBSED-OAHLLOKOSA-N 302.395 3.870 0 40 DHAB COC(=O)c1cccc(NC(=S)NC2CCCCCCC2)c1 225517691 DWKJWCWGNRFSJW-UHFFFAOYSA-N 320.458 3.873 0 40 DHAB CO[C@H](CSCc1cn(C)nc1C(F)F)c1ccccc1 225792377 FMKKSXPMLVVYOC-CYBMUJFWSA-N 312.385 3.979 0 40 DHAB CCOc1ncc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C 225894294 URXGLUNJUBRZTJ-KRWDZBQOSA-N 308.422 3.569 0 40 DHAB CCC[C@@H](C(=O)Nc1cnccc1CO)c1cccc(Cl)c1 528926454 BLYMGBICUSPJGA-OAHLLOKOSA-N 318.804 3.750 0 40 DHAB O=C(NCC[C@@H](CCO)c1ccsc1)c1cccc(Cl)c1 575607780 OXLSKEGWFRSKRL-LBPRGKRZSA-N 323.845 3.688 0 40 DHAB CC(C)(C)[C@H]1CN(C(=O)c2ccc3nn[nH]c3c2)c2ccccc21 576338627 ICENUFVQSVMQSK-AWEZNQCLSA-N 320.396 3.748 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(Cl)cc(Cl)n1 606303115 FMHYTFLQTBJQTO-MRVPVSSYSA-N 318.204 3.855 0 40 DHAB Fc1ccc(OC[C@H]2CCN(c3ccnc4ccccc34)C2)nc1 1889191444 WGPBAZRUTDLHCF-AWEZNQCLSA-N 323.371 3.674 0 40 DHAB O=C(Nc1ccc(Br)cc1)C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 64130 DDMPLNKPXYXIIP-ZHONLBEXSA-N 306.203 3.680 0 40 DHAB S=C(NCc1cccnc1)Nc1cc(Cl)cc(Cl)c1 88815 FZBKSJQBJFBQNQ-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB CC1CCN(C(=S)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 358805 KDLAILAXWBGDFH-UHFFFAOYSA-N 318.486 3.731 0 40 DHAB CSCC[C@H](NC(=O)CC(C)C)c1nc2ccccc2[nH]1 2121412 XLMVSGAOFQZDGA-AWEZNQCLSA-N 305.447 3.519 0 40 DHAB biogenic Cc1cccc(C(=O)c2cccc(CN3CCSCC3)c2)c1 2515269 DLVRSJNMKNHTLH-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB COC(=O)c1cccc(Nc2ncnc3c2oc2ccccc23)c1 3284438 VRNHNPPLOPARKE-UHFFFAOYSA-N 319.320 3.906 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1ccc2ccccc2c1 3336701 FUAPJTRCOTYOMQ-UHFFFAOYSA-N 301.349 3.828 0 40 DHAB CCOc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3457531 MMLJZRQDDWDCBZ-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 3547943 MKAPSONGHBBGIJ-UHFFFAOYSA-N 321.380 3.538 0 40 DHAB CC1(C)OC[C@H]([C@@H](c2cccs2)N(O)Cc2ccccc2)O1 3847540 KFATWFCXHUPNKN-ZBFHGGJFSA-N 319.426 3.832 0 40 DHAB biogenic CC(C)OC(=O)[C@@](C)(OC(=O)c1ccccc1)c1ccccc1 5456400 OWPDCLPDGJBQMA-IBGZPJMESA-N 312.365 3.710 0 40 DHAB O=C(Nc1ccc(Br)cc1Br)C1CC1 6329123 WMORBAPYYBUDPU-UHFFFAOYSA-N 318.996 3.560 0 40 DHAB CCC(CC)NC(=S)Nc1cccc(Br)c1 8104674 FLYUBIYWCRGCJE-UHFFFAOYSA-N 301.253 3.924 0 40 DHAB O=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1F 8743295 GLYRMPRJSRNQGE-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB O=C(Nc1ccccc1O)c1ccc(Br)cc1F 9516421 HIEHMWILJKLZFA-UHFFFAOYSA-N 310.122 3.546 0 40 DHAB O=C(CCc1ccccc1)NCCOc1ccc2ccccc2c1 10994943 HNNWPMWBDHYSNA-UHFFFAOYSA-N 319.404 3.968 0 40 DHAB Cc1oc(-c2ccccc2)nc1CSc1nncn1C1CC1 12484679 ALQAOTYQPUQUCL-UHFFFAOYSA-N 312.398 3.869 0 40 DHAB CC[C@]1(C)C(=O)O[C@@H](c2ccccc2)N1C(=O)c1ccccc1 12648293 DYWWDZQRZYAPHQ-PKOBYXMFSA-N 309.365 3.553 0 40 DHAB CCOc1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 12790887 MREWAITYZOABTC-RHSMWYFYSA-N 304.434 3.805 0 40 DHAB CCCc1c(C)nc2ncnn2c1Nc1ccc(F)c(Cl)c1 13364987 CLKKQSFUIBWZQT-UHFFFAOYSA-N 319.771 3.921 0 40 DHAB Cc1ccc2nc(C(=O)N3CCn4cccc4[C@@H]3C(C)C)[nH]c2c1 13996229 SHGGCHLZZZGISD-KRWDZBQOSA-N 322.412 3.526 0 40 DHAB Cc1ccc2[nH]nc(C(=O)N3CC[C@H](c4ccccc4)C3)c2c1 19657084 GEVYKZVGJAJRKC-HNNXBMFYSA-N 305.381 3.501 0 40 DHAB O=C(Cc1cccc(F)c1)N1CCC(Cc2ccccc2)CC1 19934910 UCAAMKUIWQTFAF-UHFFFAOYSA-N 311.400 3.850 0 40 DHAB COCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 27872579 YBLDFFJOBIYORD-UONOGXRCSA-N 315.335 3.684 0 40 DHAB O=C(Nc1ccccc1)Nc1cnn(Cc2ccccc2F)c1 28579695 OOTJGRDEKHPQNR-UHFFFAOYSA-N 310.332 3.715 0 40 DHAB C[C@@H]1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CC/C(=C/CO)CO 31157450 NNDLUXBYTPAACV-HVFHRLHQSA-N 324.505 3.671 0 40 DHAB biogenic,in-vitro Cc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 32537735 LXHDSQSCNAPPRG-UHFFFAOYSA-N 311.410 3.911 0 40 DHAB Cc1ccccc1CC(=O)OCc1nc2ccccc2nc1C 32672320 IOFZJGLRJJOREH-UHFFFAOYSA-N 306.365 3.533 0 40 DHAB CC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1ccccc1 36628659 HQYCPNQMODLRBW-UHFFFAOYSA-N 304.349 3.614 0 40 DHAB Cc1cc(OCC(=O)Nc2ccccc2N)cc(C)c1Cl 36988084 SIFWYROWIQVUHK-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1ccc([C@H](O)c2ccccc2Br)c(C)c1 40246174 MVLFMVNIWPKOJD-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB COc1ccc([C@@H](O)c2cccc(Br)c2)cc1F 40263034 UWDVYTZTNSOBBO-AWEZNQCLSA-N 311.150 3.679 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCCC2)c1 40473012 KINLUBRKLJSCTD-MRXNPFEDSA-N 303.402 3.558 0 40 DHAB CC(C)(C)c1ccc(OC[C@H]2CCNC2)c(Br)c1 42770570 GAPQZJYXEAAHKJ-NSHDSACASA-N 312.251 3.735 0 40 DHAB Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1oc2ccccc2c1C 46651421 FROQAXMCNNRDJY-GFCCVEGCSA-N 311.385 3.583 0 40 DHAB Cc1cc([C@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)on1 52010260 BNGGLLHEJSDTGP-CABCVRRESA-N 306.793 3.507 0 40 DHAB Cn1cc(CNC(=O)Nc2ccc3c(c2)oc2ccccc23)cn1 54412569 RQLYMMZBWVYZBS-UHFFFAOYSA-N 320.352 3.641 0 40 DHAB CC(C)c1ccc2nc(COCc3ccccc3)[nH]c(=O)c2c1 57771880 NVXLGFYFTDFMAE-UHFFFAOYSA-N 308.381 3.763 0 40 DHAB CCOc1cc(NC(=O)N[C@@H](C)c2c(C)noc2C)ccc1C 73189698 UJNYSWZIMSFVFQ-NSHDSACASA-N 317.389 3.881 0 40 DHAB Cc1ccc(Cc2cnc(NC(=O)N[C@@H](C)C3CC3)s2)cc1 75572441 DPTFWIGTXUVTOP-LBPRGKRZSA-N 315.442 3.962 0 40 DHAB O=C(Cc1c(F)cccc1F)Nc1cccc(-c2ccn[nH]2)c1 87086102 OWEDJOYDQJHAJP-UHFFFAOYSA-N 313.307 3.536 0 40 DHAB Cc1ccc(CNc2ccc(C)c(NS(C)(=O)=O)c2)c(C)c1 89613895 GSSNIKBXEVRBCA-UHFFFAOYSA-N 318.442 3.595 0 40 DHAB CC(C)CSCCCN1CCO[C@@H](c2ccc(F)cc2)C1 89856440 SBEQILUXQRVZLA-QGZVFWFLSA-N 311.466 3.978 0 40 DHAB CCCO[C@H]1CCCN(C(=O)CCC(=O)c2cccs2)CC1 89960243 OJLZZCBRZVSYQH-AWEZNQCLSA-N 323.458 3.519 0 40 DHAB CCNc1ccnc(CN(C)[C@@H](C)c2cc(F)ccc2F)c1 89977919 JEALVYMEQKGOQV-LBPRGKRZSA-N 305.372 3.985 0 40 DHAB C[C@@H](CNC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccsc1 95426209 BKYVSDNIXIYOQQ-DZGCQCFKSA-N 322.474 3.643 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Nc2ccnc(Cl)c2)cc1F 95454805 NTQFGIVCCCRVJY-SECBINFHSA-N 323.755 3.765 0 40 DHAB CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc(C)c(C)c2)c1 95463196 CAQVEEDUQHCSHG-MOPGFXCFSA-N 309.409 3.988 0 40 DHAB C[C@@H](NC[C@@](C)(O)c1ccsc1)c1nc2ccccc2s1 95968353 RFEAHHHXQUKTMJ-BDJLRTHQSA-N 318.467 3.916 0 40 DHAB CCc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)o1 96426021 KWHNNQHQZODBKB-INIZCTEOSA-N 313.397 3.521 0 40 DHAB O=C(Nc1ccccc1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 96435672 QZBSPZFKSFQFTH-MSOLQXFVSA-N 310.397 3.807 0 40 DHAB CN(C(=O)c1ccc(-c2ccccc2Cl)o1)c1cnn(C)c1 154048111 STNCZNBYRVCWKR-UHFFFAOYSA-N 315.760 3.610 0 40 DHAB C[C@@H](Nc1ccc(Cl)c(C[S@@](C)=O)c1)c1ccccn1 191176688 WRZBXGWXFWRZKK-BIBXISHDSA-N 308.834 3.787 0 40 DHAB C[C@@H]1CC(Nc2ccc(Cl)c(C[S@](C)=O)c2)C[C@@H](C)O1 195559109 RNAQNLBDYQERLH-HZNYWTHISA-N 315.866 3.586 0 40 DHAB CC(C)c1ccccc1OCCNC(=O)c1ccc(F)cc1 223744305 ZBSDMKQKBYDILB-UHFFFAOYSA-N 301.361 3.758 0 40 DHAB CC[C@@H](NC(=S)Nc1ncccc1C)c1ccc(OC)cc1 225490797 GWOGPLYZHPKEJK-OAHLLOKOSA-N 315.442 3.836 0 40 DHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12 225884566 PYXCBWQERCXRFQ-GOSISDBHSA-N 316.401 3.777 0 40 DHAB Cc1nc2cc(C(=O)Nc3ccc4sncc4c3)ccc2n1C 225892749 NMUBNAPUYXKDQC-UHFFFAOYSA-N 322.393 3.744 0 40 DHAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C 409184290 WUQCJMNXUQDKFF-UHFFFAOYSA-N 314.410 3.684 0 40 DHAB O=C(NCc1ccc(C2CC2)nc1)C12CC3CC(CC(C3)C1)C2 1565523260 JDJOPQZHSYXUAK-UHFFFAOYSA-N 310.441 3.792 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc1 1775969378 NTJPTXPDXHJDMQ-KRWDZBQOSA-N 324.424 3.630 0 40 DHAB Cc1cc(=O)oc2cc(Oc3nncc4ccccc34)ccc12 38154 YHEPJDFMQMXRRA-UHFFFAOYSA-N 304.305 3.837 0 40 DHAB Cc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Nc2ncnn21 223001 FAEPNAPTSCFVQQ-IAGOWNOFSA-N 308.360 3.872 0 40 DHAB CCC(C)(C)c1ccc(OCC(=O)Nc2nccs2)cc1 367875 NBWAXDWBBGWLJZ-UHFFFAOYSA-N 304.415 3.848 0 40 DHAB Cc1cccc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)c1 385307 MXCVINIJYGANGL-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2 483878 LTFPQMHTCFYFHM-UHFFFAOYSA-N 307.415 3.542 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 563054 PPXMHTWGFXWJNR-UHFFFAOYSA-N 315.316 3.815 0 40 DHAB Cc1cc(NC(=O)/C=C/c2cccs2)n(-c2ccccc2)n1 2659734 NPGIICPSRKTLBD-MDZDMXLPSA-N 309.394 3.894 0 40 DHAB COc1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 3607589 NHXCRWBCNUSINC-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 5331373 DZKPHHMCRPGNLD-UHFFFAOYSA-N 321.852 3.504 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2=O)cc1 5441176 FZMNZCJCCJYMPS-UHFFFAOYSA-N 308.381 3.764 0 40 DHAB COc1ccc(/C=C/C(=O)NC2CCCCCC2)c(OC)c1 5443395 YTMSZXIUUOZUQH-ZRDIBKRKSA-N 303.402 3.556 0 40 DHAB COc1ccc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)cc1 6187501 FEXBZEOLWIYTPZ-UVTDQMKNSA-N 312.756 3.669 0 40 DHAB Cc1nnc2c(SCc3ccccc3)nc3ccccc3n12 6786358 RZVQTCTUZVVXOC-UHFFFAOYSA-N 306.394 3.878 0 40 DHAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H](O)c1ccccc1 6850982 MMHHGWQXSWYUEY-NHYWBVRUSA-N 323.314 3.557 0 40 DHAB CCOC(=O)COc1ccc(-c2nc3ccccc3s2)cc1 6955055 HGUWHZZRNHFHEY-UHFFFAOYSA-N 313.378 3.905 0 40 DHAB Cc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)c1 7433542 UCEARFWKFIRRQX-UHFFFAOYSA-N 308.337 3.615 0 40 DHAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(F)cc1F 7886626 CMAYBOSBYVYOOM-MRXNPFEDSA-N 302.324 3.941 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccsc1 7926856 OVVQERKACCKOIE-UHFFFAOYSA-N 308.834 3.780 0 40 DHAB Cc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)s2)o1 7982179 NVYOWZRRBUOPCO-QPJJXVBHSA-N 310.758 3.742 0 40 DHAB CCCCOc1ccccc1C(=O)Nc1onc2c1CCCC2 8612344 ZDOADXPOOFCUIW-UHFFFAOYSA-N 314.385 3.985 0 40 DHAB O=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2)s1 8742549 SAKXZHDZEWJDTH-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB C[C@H](Sc1nnc[nH]1)C(=O)n1c2ccccc2c2ccccc21 10381931 OVKTYMFYASAERU-NSHDSACASA-N 322.393 3.734 0 40 DHAB Cc1c(Cl)ccc(S(=O)(=O)N2CCCCCC2)c1Cl 11614195 HOQKIHPNJFXJIL-UHFFFAOYSA-N 322.257 3.867 0 40 DHAB CCCCN(C)c1nc(C)nc2c1CN(Cc1ccccc1)CC2 12183313 OFGHYRUIUKSMJV-UHFFFAOYSA-N 324.472 3.580 0 40 DHAB O=C(NCc1ccccc1)c1ccc(OCc2cscn2)cc1 13002315 JFAZOTNNVBRKTP-UHFFFAOYSA-N 324.405 3.652 0 40 DHAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 13576650 OXSAJRXZZRQLAN-CPCISQLKSA-N 319.188 3.614 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cnn(Cc2ccccc2)c1 14887746 HHYLRJQMGMKTHE-UHFFFAOYSA-N 317.392 3.672 0 40 DHAB O=C(Nc1cccnc1)c1ccccc1COc1ccccc1 15826659 WBUTWBBHLXGXQZ-UHFFFAOYSA-N 304.349 3.913 0 40 DHAB CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccco1 15831419 SUHSXEWFJBGEPW-MRXNPFEDSA-N 314.429 3.610 0 40 DHAB Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCOCC1 19864074 MEHVBJAOPKFSFL-GOSISDBHSA-N 312.438 3.959 0 40 DHAB O=c1nc(-c2ccccn2)[nH]c2scc(-c3ccc(F)cc3)c12 20369436 CBDRMTDQFNGIRZ-UHFFFAOYSA-N 323.352 3.853 0 40 DHAB Clc1cccc(-n2ncc3c(NC4CCCC4)ncnc32)c1 20662064 KPQFJGQVQWOSGS-UHFFFAOYSA-N 313.792 3.823 0 40 DHAB Cc1ccoc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 21668750 FXMWVSJZOORGTC-UHFFFAOYSA-N 312.369 3.513 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc3ccccc3c2)on1 22077699 AZLAKVJNPBXEEJ-CQSZACIVSA-N 323.396 3.595 0 40 DHAB O=C(OCc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 23264109 JFHDUFAFVVLPNL-UHFFFAOYSA-N 318.756 3.858 0 40 DHAB Cc1nc(C2(NC(=O)c3ccccc3Cl)CCCCC2)no1 26124303 JXXZDBQWBZTGPY-UHFFFAOYSA-N 319.792 3.621 0 40 DHAB O=C(Nc1cnn(Cc2ccccc2F)c1)C1CCCCC1 28228740 INWYTRJHSQUEPT-UHFFFAOYSA-N 301.365 3.589 0 40 DHAB COc1cc(CNCc2cccnc2)ccc1OC1CCCC1 32228135 ZNYLJHPKOWWVKQ-UHFFFAOYSA-N 312.413 3.701 0 40 DHAB CCN1/C(=C2/SC(=S)N=C2O)Sc2ccc(OC)cc21 33628153 LASNWJIGBHBXNI-BENRWUELSA-N 324.452 3.785 0 40 DHAB C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@H]1CCC2=O 35565358 OSVMTWJCGUFAOD-UJAPSRGHSA-N 302.414 3.973 0 40 DHAB in-vitro CC(=O)Nc1ccc(NC(=O)N(C)Cc2sccc2C)cc1 43652414 CAVAHRCRGHDORR-UHFFFAOYSA-N 317.414 3.679 0 40 DHAB c1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCCCC3)n2)cc1 67898607 RTWVSILELUTQQY-SFHVURJKSA-N 311.429 3.783 0 40 DHAB biogenic,in-vitro Cc1csc(-c2ccc(NC(=O)NCc3cccnc3)cc2)n1 69918222 XVXSFCSJXNDLGF-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB CC(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 70462070 OUVXWIYODWJKAJ-UHFFFAOYSA-N 302.717 3.812 0 40 DHAB O=C(NC1CCCCC1)c1ccc2[nH]c(C(F)(F)F)nc2c1 72243370 LUNKSXNCAFDGHP-UHFFFAOYSA-N 311.307 3.644 0 40 DHAB COC(=O)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 75629718 MZSGCJXSOIQHTA-HNNXBMFYSA-N 319.401 3.854 0 40 DHAB O=C(CSc1ncccc1Cl)N(C1CCCC1)C1CC1 77233447 JUXDQDYYTRAERU-UHFFFAOYSA-N 310.850 3.761 0 40 DHAB c1ccc2c(c1)CCCC[C@H]2NCc1cnc(N2CCCC2)nc1 78394270 SGVVTJJNGRCGSU-LJQANCHMSA-N 322.456 3.634 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 80344716 MALKJZNCFVSTNE-CVEARBPZSA-N 323.392 3.817 0 40 DHAB Cc1ccc2c(c1)N(C(=O)c1cc(C(C)C)no1)C[C@H](C)O2 81388990 FOVMYBTZIFGTOM-LBPRGKRZSA-N 300.358 3.534 0 40 DHAB Nc1nc(-c2ccc(F)cc2)nc2oc(-c3ccccc3)nc12 82087193 YRUVJUDOHXNROC-UHFFFAOYSA-N 306.300 3.673 0 40 DHAB Cc1ccc(C)c(-c2noc(COc3ccccc3C=O)n2)c1 89262855 GSSRNLYIRZTZPO-UHFFFAOYSA-N 308.337 3.745 0 40 DHAB CC(C)c1ncc(C(=O)Nc2ccccc2-c2ncc[nH]2)s1 95431014 TVYWJHPDPYGSPE-UHFFFAOYSA-N 312.398 3.909 0 40 DHAB COCC(C)(C)NC(=O)Nc1cc(CSC)ccc1Cl 95960368 OREHIVWBYXQTBQ-UHFFFAOYSA-N 316.854 3.750 0 40 DHAB CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(C)sc1C 95969194 OAOSOSPTSMPRRU-RISCZKNCSA-N 304.463 3.705 0 40 DHAB CC[C@](C)(NC(=O)CCc1cccc(F)c1)c1nccs1 96416598 SOWVYHDKQXJLDM-INIZCTEOSA-N 306.406 3.656 0 40 DHAB C[C@]12C=C[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118931230 MQKCILYFKAJWDB-LFGUEBOJSA-N 302.458 3.837 0 40 DHAB Cc1ccc2c(c1)[C@@H](NCc1nncn1-c1ccccc1)[C@@H](C)C2 180097884 IHKSGJPQRANFQY-YWZLYKJASA-N 318.424 3.599 0 40 DHAB Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CCN[C@@H]2CCC[C@H]21 218849320 FUJSTKVKXGEKGI-FTEYMNFISA-N 314.473 3.511 0 40 DHAB COc1cccc2cc(C(=O)NC[C@@H](C)c3ccccc3)oc12 224096852 IQWQOMYBCUQJAZ-CYBMUJFWSA-N 309.365 3.975 0 40 DHAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1ccc(Cl)cc1 225424065 MPJBTCOBXQFQRS-UHFFFAOYSA-N 315.804 3.902 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225592507 UQDDNQWTABNOBW-UHFFFAOYSA-N 318.461 3.926 0 40 DHAB CSc1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1 225592997 KSCOLZYGDBLPGR-UHFFFAOYSA-N 311.403 3.657 0 40 DHAB Cc1ccc(CN(C)C(=O)COc2cccc3c2CCCC3)cc1 225678523 RQTONXPVAYAEOP-UHFFFAOYSA-N 323.436 3.911 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(C)cc2Cl)c(N)c1 226347211 SPKPJAMRMMTUOM-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB Cc1cc2nccc([C@]3(C)CCCN3CCc3ccccc3)n2n1 257210660 BVPRFDBOJHWJJR-FQEVSTJZSA-N 320.440 3.591 0 40 DHAB Cc1cn(C)c([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 257276643 NUOPTTVKRXAHDD-AWEZNQCLSA-N 323.362 3.737 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(F)cc2)cc1OCC 408678292 FBJIOYOWKJWULA-UHFFFAOYSA-N 317.360 3.553 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)Cc2csc3ccccc23)no1 575618748 CDVHNPGTHRPSTC-JTQLQIEISA-N 300.383 3.559 0 40 DHAB c1ccc2oc(N3CCC[C@@H](COc4nccs4)C3)nc2c1 2298223221 VTWXNSFDRLJJDS-GFCCVEGCSA-N 315.398 3.580 0 40 DHAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 259727 VYRDYVCLHVLNRQ-INIZCTEOSA-N 322.408 3.802 0 40 DHAB O=C(/C=C/c1ccco1)N(Cc1ccccc1)c1ccccn1 2908165 ADSHGBNZISPIQZ-VAWYXSNFSA-N 304.349 3.921 0 40 DHAB COC(=O)[C@@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 3107841 JUFDDTMHEXOCIJ-HNNXBMFYSA-N 307.349 3.698 0 40 DHAB Brc1cc2c(cc1Br)[C@H]1C=C[C@@H]2O1 4558284 HFEYIRLVIARHFU-AOOOYVTPSA-N 301.965 3.894 0 40 DHAB Nc1ccc2[nH]c(CCCc3nc4ccccc4s3)nc2c1 4937168 LSGOWPVKLSLGOC-UHFFFAOYSA-N 308.410 3.930 0 40 DHAB Cn1c(SCc2nc3ccccc3s2)nnc1C1CC1 4938252 RJEKGBVKFDIJKE-UHFFFAOYSA-N 302.428 3.595 0 40 DHAB C[C@H](Sc1nnc2ccccn12)C(=O)c1ccc2c(c1)CCC2 6114794 XVJJJPZHNASPSI-LBPRGKRZSA-N 323.421 3.582 0 40 DHAB COc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 6127765 KPVPCFQJNAOUFE-UHFFFAOYSA-N 317.213 3.643 0 40 DHAB Cc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1 6811368 TXUXJQGCUBJDOW-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1nc(N2CCCCC2)sc1C(=O)Nc1ccccc1 7763241 ASXJTPKYQSAILJ-UHFFFAOYSA-N 301.415 3.694 0 40 DHAB COCc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 8315814 GGGCXCRVXOZWCJ-MRXNPFEDSA-N 313.422 3.800 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1CCCC[C@H]1CC 8731539 IPQBYUCPQQDSAF-QGZVFWFLSA-N 319.445 3.931 0 40 DHAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NC3=NCCS3)cc2C1 9740327 YYSDBGRFHPPEHJ-LLVKDONJSA-N 322.499 3.732 0 40 DHAB Cc1ccccc1/C=C/C(=O)N[C@H](C)c1nc2ccccc2[nH]1 12551289 HRNAXVIQNDUMLC-GCZGRYASSA-N 305.381 3.762 0 40 DHAB Cc1cc(CNC(=O)NCc2ccc(F)c(C)c2)ccc1F 12814929 KXYUIEHBXUZKIM-UHFFFAOYSA-N 304.340 3.581 0 40 DHAB COc1ccc(Cl)cc1CN(C)C(=O)/C=C/c1ccco1 13986081 HNUYMWKFAWCJEC-SOFGYWHQSA-N 305.761 3.613 0 40 DHAB Cc1ccc(NCc2cc(=O)n3cc(C)ccc3n2)c(Cl)c1 15291092 FSQWJDOOCCMNSH-UHFFFAOYSA-N 313.788 3.577 0 40 DHAB O=C(NCc1ccc(F)cc1)c1csc(-c2cccs2)n1 15515034 KCQDMBIPJHZXKO-UHFFFAOYSA-N 318.398 3.941 0 40 DHAB CCCN(C[C@@H](C)O)C(=O)Nc1ccc(Cl)c(Cl)c1 19691510 SSXDUPPVZCWVKC-SECBINFHSA-N 305.205 3.618 0 40 DHAB COc1ccc2[nH]c(C)c(CCNCc3cccc(C)n3)c2c1 19798234 PZWYJNKDDKOGBV-UHFFFAOYSA-N 309.413 3.521 0 40 DHAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 20025458 QSYASOPQMFUKBL-NSHDSACASA-N 319.788 3.848 0 40 DHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)CCC(C)C 20136781 BZVXYXUUEIOKPD-UHFFFAOYSA-N 317.385 3.822 0 40 DHAB O=C(Nc1cccc(-c2nnco2)c1)c1cc2c(s1)CCC2 24736702 KWFHLBGFNQIKNV-UHFFFAOYSA-N 311.366 3.539 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 27927237 ZVZABKJBMSWJHR-UHFFFAOYSA-N 319.408 3.808 0 40 DHAB Cc1ccnc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 27974653 CTJREPYORUPPSB-AWEZNQCLSA-N 306.365 3.949 0 40 DHAB CC(C)(Oc1ccc(C(=O)c2cccc(Cl)c2)cc1)C(=O)O 33824593 JIWVJAFWQBLUTA-UHFFFAOYSA-N 318.756 3.813 0 40 DHAB in-vitro C[C@@H](Cc1ccco1)NC(=O)C1(c2cccs2)CCCC1 38565701 XZXODKAYTOBYST-ZDUSSCGKSA-N 303.427 3.900 0 40 DHAB CCCNC(=O)Nc1ccc2sc(C(=O)OCC)cc2c1 40121011 ROJRUPFGKSUZEE-UHFFFAOYSA-N 306.387 3.610 0 40 DHAB Fc1ccc(OCCCSc2nnc3n2CCCCC3)cc1 40159034 UPIZFNFTNVCADT-UHFFFAOYSA-N 321.421 3.705 0 40 DHAB CSc1ccccc1C(=O)c1cccc(C2OCCO2)c1 43212534 FWYLNMSJLJVECU-UHFFFAOYSA-N 300.379 3.685 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cn1 45020852 RBCPKLFCIBNVHV-VIFPVBQESA-N 310.806 3.686 0 40 DHAB CCC[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1 48223112 KEQITQHGPFPRPP-QGZVFWFLSA-N 320.396 3.539 0 40 DHAB O=C(NCc1ccco1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 48312278 FYRMJNIQBCPHDT-UHFFFAOYSA-N 324.258 3.590 0 40 DHAB COCc1ccccc1NCC(=O)Nc1cccc(Cl)c1C 55849045 KDLYPKXOZDTOSO-UHFFFAOYSA-N 318.804 3.845 0 40 DHAB C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(NC(=O)C2CC2)CC1 58438800 QVLQFLKIDKREQY-NSHDSACASA-N 324.827 3.531 0 40 DHAB C[C@H](NC(=O)N1CCC[C@H]1CC1CCCCC1)[C@H]1CCCO1 60978688 GFMRVNMJRFQIHQ-BHYGNILZSA-N 308.466 3.698 0 40 DHAB CC(C)(C)c1nc(CCNc2ccc(C(F)(F)F)cc2)n[nH]1 62719334 NHGXPIKWRIKNQF-UHFFFAOYSA-N 312.339 3.776 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1C[C@H]1c1ccccc1 67502618 LUBWXTIURTXCJI-PKOBYXMFSA-N 304.393 3.773 0 40 DHAB Cc1sc2ncnc(NC[C@@H](C)N3CCC[C@H](C)C3)c2c1C 71954219 PDLMYBBSGDMRDG-NWDGAFQWSA-N 318.490 3.840 0 40 DHAB c1coc(-c2cnc(N3CCSCC3)nc2-c2ccco2)c1 72396575 ZBWRCCXLDYHBNR-UHFFFAOYSA-N 313.382 3.550 0 40 DHAB Cc1nc2ccc(NC(=O)OCc3ccccc3)cc2nc1C 74818914 PHUFQZBHQPVPDG-UHFFFAOYSA-N 307.353 3.995 0 40 DHAB CCOc1cc(-c2nc(-c3cccc(Cl)c3)n[nH]2)ccc1O 85384591 SWLPNZRZNIXXKI-UHFFFAOYSA-N 315.760 3.896 0 40 DHAB Cc1c(Cl)cccc1NCC(=O)Nc1cc(C(C)(C)C)no1 89540333 UEAJCGXSKXRNJU-UHFFFAOYSA-N 321.808 3.985 0 40 DHAB C[C@H](NCCc1nccn1Cc1ccccc1)c1cccs1 89910203 LWMPEVUMCXGNIA-HNNXBMFYSA-N 311.454 3.886 0 40 DHAB CCCCOCC(=O)N1CCCC[C@H]1CCc1ccccc1 89954807 LHRDYQKEISLLCQ-SFHVURJKSA-N 303.446 3.817 0 40 DHAB CC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 95351256 RCJNDCGIYYALES-UHFFFAOYSA-N 302.201 3.631 0 40 DHAB C[C@H]1CCO[C@H]1C(=O)N(c1cccc2cccnc12)C1CCC1 95427179 WNZVDQAQDUQFRX-SCLBCKFNSA-N 310.397 3.545 0 40 DHAB COc1ccccc1/C=C/CNc1cccc(-c2nnco2)c1 95428645 CZGDTQHTBBXRLH-VMPITWQZSA-N 307.353 3.871 0 40 DHAB Fc1ccc(NCc2cnc3ccccn23)cc1Br 95445301 KDVNFUYTNDWCQE-UHFFFAOYSA-N 320.165 3.848 0 40 DHAB COc1ccccc1CC(=O)Nc1ccc2[nH]c(C3CC3)nc2c1 95472977 OATFDGLSKWZAQG-UHFFFAOYSA-N 321.380 3.630 0 40 DHAB CC(C)[C@H](C)S(=O)(=O)[C@@H](C)c1ncc(-c2ccccc2)o1 97014835 DALJSHVCECEJGJ-STQMWFEESA-N 307.415 3.862 0 40 DHAB CC(C)c1nc([C@@H](C)NC(=O)c2ccc(C(=O)O)s2)cs1 97017757 RMXOZNFWZBINAE-MRVPVSSYSA-N 324.427 3.517 0 40 DHAB Cc1cc([C@@H](C)NCc2nnc(-c3cccs3)o2)c(C)o1 97373922 IZQVTEMLLQEAHU-SNVBAGLBSA-N 303.387 3.859 0 40 DHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1 216274923 GPHWOOYZVHQWCO-GXTWGEPZSA-N 313.850 3.506 0 40 DHAB CCc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224701760 CRBQAAAJXWDSFI-UHFFFAOYSA-N 309.818 3.728 0 40 DHAB Cc1ccc(C(=O)NCCCN2CCCc3ccccc32)c(C)c1 225057749 LEARPERRBJWBEN-UHFFFAOYSA-N 322.452 3.876 0 40 DHAB CNc1cc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1 257224398 FBQYTRCIJIQLDC-QGZVFWFLSA-N 320.396 3.582 0 40 DHAB O=C(CCc1cccs1)N1CCC[C@H](Cc2ccccn2)C1 257252891 JWOGAKYGTZKBFO-OAHLLOKOSA-N 314.454 3.557 0 40 DHAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(Cl)cc1 55421 BPPONWQIBJSQIY-NTEUORMPSA-N 301.704 3.824 0 40 DHAB O=C(COc1cc(Cl)ccc1Cl)NCCc1ccccc1 130342 YKPIFEUCQZQQKF-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB CCN(CC)C(=O)c1sc2nc3cc(C)ccc3cc2c1N 422321 MHZVEGDJJBBRNJ-UHFFFAOYSA-N 313.426 3.822 0 40 DHAB O=C(COC(=O)c1cc2ccccc2cc1O)c1cccs1 555858 PDXDASTXTVYZBB-UHFFFAOYSA-N 312.346 3.647 0 40 DHAB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(Cl)cc1 578554 BTXIQCXWSIEGNE-IZZDOVSWSA-N 300.741 3.779 0 40 DHAB O=Cc1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 581677 ISXINRAWZWCOGW-UHFFFAOYSA-N 312.756 3.746 0 40 DHAB CN(C)CC1(C)COC(c2ccccc2)(c2ccccc2)OC1 1671126 JXEOBFGTAAWOGC-UHFFFAOYSA-N 311.425 3.502 0 40 DHAB CCOc1ccc(NC(=O)Cc2ccccc2F)cc1OCC 3357280 ZQSPIWRICPWMIY-UHFFFAOYSA-N 317.360 3.804 0 40 DHAB COc1ccccc1NC(=O)[C@@H](C)Nc1cccc(SC)c1 3429235 OFNRQUPNKVSOGU-GFCCVEGCSA-N 316.426 3.856 0 40 DHAB CC1(C)OC[C@H]([C@H](c2cccs2)N(O)Cc2ccccc2)O1 3847539 KFATWFCXHUPNKN-GDBMZVCRSA-N 319.426 3.832 0 40 DHAB biogenic c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCCO4)C2 4035058 NVDWWSHDXUMSNQ-UHFFFAOYSA-N 324.405 3.630 0 40 DHAB aggregator CCOc1ccc(N2CCc3c(C)nc(SC)nc32)cc1 4052030 LHAGBDKQSBLQSG-UHFFFAOYSA-N 301.415 3.600 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)C1CC1 4079085 MKXIAJQQKWSHIB-UHFFFAOYSA-N 314.197 3.860 0 40 DHAB O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)ccc1Cl 4107335 HDBMDIJCOJKDSW-UHFFFAOYSA-N 324.123 3.889 0 40 DHAB CCSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1 4119781 WAURFELNVPTKQU-UHFFFAOYSA-N 324.449 3.847 0 40 DHAB Cc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1 4619642 UTOPOAXXIFDGQR-UHFFFAOYSA-N 324.405 3.944 0 40 DHAB Cc1cccc(OCc2ccc(C(=O)Nc3nccs3)o2)c1 5032905 KODIDVVRGZTXHN-UHFFFAOYSA-N 314.366 3.876 0 40 DHAB O=C1S/C(=C\c2nc3ccccc3[nH]2)C(=O)N1c1ccccc1 5236069 WJIRAJSMSNHJOZ-UVTDQMKNSA-N 321.361 3.804 0 40 DHAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(F)cc1 5399354 TXPJPQCVLQLYPH-UHFFFAOYSA-N 317.389 3.605 0 40 DHAB CC(C)c1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1 5481990 LRGPPIPAWFYEDW-ATVHPVEESA-N 306.365 3.907 0 40 DHAB O=C(Nc1ccc(Br)cc1F)c1cccc(F)c1 5671260 YJRUXOOZPNLLHU-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB Cc1cc(CSc2nnc(C3CC3)n2-c2ccccc2)no1 5702286 GOEVSRZCQQGIFA-UHFFFAOYSA-N 312.398 3.733 0 40 DHAB N#C/C(=C/c1ccco1)C(=O)Nc1cccc(Br)c1 5756882 ILSABGRFEYJDMV-YFHOEESVSA-N 317.142 3.588 0 40 DHAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccc(C)cc2[nH]1 6016525 GLKQSVMJVSOCCQ-CYBMUJFWSA-N 317.458 3.755 0 40 DHAB CCOc1cc(C(=O)Nc2ccccc2Cl)ccc1OC 6207294 GLVAZKPFZOSQTB-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB O=C(OCc1nc(-c2ccccc2)no1)c1c[nH]c2ccccc12 7509561 DGVWOKOJJCCLOH-UHFFFAOYSA-N 319.320 3.575 0 40 DHAB CCc1ccc(C(=O)CCC(=O)NCc2ccccc2F)cc1 7777078 LVRVMTJYASKAJM-UHFFFAOYSA-N 313.372 3.667 0 40 DHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCC1 7794150 IIAVBRVZEGEWCB-UHFFFAOYSA-N 300.324 3.900 0 40 DHAB O=C(O[C@H]1CCCCC1=O)c1ccccc1C(=O)c1ccccc1 8756041 UOTOWRKOWYGPJS-SFHVURJKSA-N 322.360 3.586 0 40 DHAB O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCCCC1 9420806 JLXBMQAKPKRXQU-UHFFFAOYSA-N 311.410 3.713 0 40 DHAB O=C(CSc1nccn1-c1cccc(Cl)c1)c1ccc[nH]1 12532081 JXQXVMFDNWSITR-UHFFFAOYSA-N 317.801 3.829 0 40 DHAB C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCO2 15952132 AMDNSFXBCQKJSY-SNVBAGLBSA-N 318.760 3.951 0 40 DHAB Cc1cc(C)n(C(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)n1 17052274 MNHSEQJQCQYFPV-JTQLQIEISA-N 313.184 3.914 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)c1cccc(N2CCCC2=O)c1 18085558 KKVGFKOJBLIYMZ-HNNXBMFYSA-N 322.408 3.613 0 40 DHAB Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1N 19475573 KWSBQDLRPURFNW-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CCCc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 19910153 XFAQTIDDRRODCN-UHFFFAOYSA-N 312.320 3.824 0 40 DHAB COc1ccc(CN2C(=O)CS[C@H]2c2ccc(C)cc2)cc1 19927316 RVDYHYIWQLTOMQ-SFHVURJKSA-N 313.422 3.778 0 40 DHAB Cc1ccc(CC(=O)NCCc2c[nH]c3ccc(C)cc23)cc1 20081854 XAFOKGOHYFAPHE-UHFFFAOYSA-N 306.409 3.686 0 40 DHAB biogenic N=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1N 20799528 AHAVVNRXWXGEOC-UHFFFAOYSA-N 311.776 3.545 0 40 DHAB O=C(Nc1nc[nH]n1)c1sc2cccc(Cl)c2c1Cl 26258041 MCEBTSPVIGKRJZ-UHFFFAOYSA-N 313.169 3.579 0 40 DHAB CCN(C[C@H](O)COc1cccc(C)c1C)C1CCCCC1 26780466 GGXUGBBTPCXPIK-SFHVURJKSA-N 305.462 3.698 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)COc2ccccc2C)cc1 27122009 OITOBZKYNKFKHD-OAHLLOKOSA-N 313.397 3.650 0 40 DHAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)n1ccc(C(F)(F)F)n1 27973926 JOPMCQNOFDTIOF-SNVBAGLBSA-N 323.318 3.590 0 40 DHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CC1CCCCC1 28698997 MWHQTSCWXCYROO-CYBMUJFWSA-N 319.401 3.536 0 40 DHAB Nc1ccccc1-c1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1 32830951 CPGNWIYVJATNMI-UHFFFAOYSA-N 304.275 3.740 0 40 DHAB C[C@@H](Cc1ccccc1Cl)NC(=O)Cc1cccc(F)c1 32930656 ZDOJEPCEYAWZEZ-LBPRGKRZSA-N 305.780 3.769 0 40 DHAB CCCCCc1nnc(NC(=O)c2cc(C)ccc2O)s1 36710043 MZYRYDBDBFNTKV-UHFFFAOYSA-N 305.403 3.537 0 40 DHAB Cc1c(Cl)ccc(S(=O)(=O)N2CCCC[C@@H]2C)c1Cl 41096685 GCLJNWOEFDDPQT-VIFPVBQESA-N 322.257 3.865 0 40 DHAB O=C(c1ccccc1F)N1CCCN(CC2CCCCC2)CC1 44858449 RBTWXYCDECZKSB-UHFFFAOYSA-N 318.436 3.554 0 40 DHAB CC(C)(C)c1c(Br)c(C(=O)O)nn1-c1ccccc1 49538582 SFTJLOFNILMWCA-UHFFFAOYSA-N 323.190 3.631 0 40 DHAB Cc1cccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)c1 57354771 UFQCCCWNQXCJIQ-UHFFFAOYSA-N 303.321 3.554 0 40 DHAB Cc1cc(C)cc(CSCC(=O)NCCc2ccccc2)c1 57688921 LDICIPAZKYZHQT-UHFFFAOYSA-N 313.466 3.896 0 40 DHAB CCSc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 57946467 SSCOFADFMKQSAP-UHFFFAOYSA-N 302.447 3.678 0 40 DHAB Cc1nc2cc(NC(=O)Nc3nnc(C4CC4)s3)ccc2o1 58015495 GXCIMEKDSMHSQO-UHFFFAOYSA-N 315.358 3.509 0 40 DHAB O=C(NCc1cc(-c2ccccc2)on1)Nc1ccccc1F 58231370 KTEOYJSHGJMGMM-UHFFFAOYSA-N 311.316 3.802 0 40 DHAB CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cc[nH]n3)cc2C1 60063278 WFMYJRFAHBYARS-LLVKDONJSA-N 303.431 3.875 0 40 DHAB CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc(C)no3)ccc12 69708712 ZYGMHPQHFYRANO-JTQLQIEISA-N 314.341 3.577 0 40 DHAB O=C(Nc1ccc2[nH]ccc2c1)N1CCN(c2ccccc2)CC1 71803349 HIPYVZJSPWXNCU-UHFFFAOYSA-N 320.396 3.522 0 40 DHAB CCCN(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 71909594 CKEJDKICWFYEAU-OAQYLSRUSA-N 310.463 3.608 0 40 DHAB c1ccc(Cc2cccc([C@@H]3CCCN3C3CCOCC3)n2)cc1 72358150 KJFKQSIWOYDXIV-NRFANRHFSA-N 322.452 3.988 0 40 DHAB Cn1ncc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c(Cl)c1=O 73771302 RSHJXMAFNVPVAJ-CQSZACIVSA-N 324.211 3.650 0 40 DHAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CC2(O)CCCC2)o1 74194638 VJCRHAZHDMMQTH-GDBMZVCRSA-N 319.445 3.837 0 40 DHAB Cc1noc(Cl)c1CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 78712964 PGOJPLFVTXCCIS-HNNXBMFYSA-N 322.767 3.586 0 40 DHAB c1ccc(-c2cnc(Cn3nccc3-c3ccncc3)o2)cc1 89126729 NVKKIQTVIQKZAB-UHFFFAOYSA-N 302.337 3.648 0 40 DHAB O=C(Oc1ccc(Oc2ccccn2)cc1)c1cc(C2CC2)on1 95348940 FCLUCJXJCNGUGD-UHFFFAOYSA-N 322.320 3.959 0 40 DHAB COc1ccc([C@H](O)CN[C@@H](c2cccs2)C2CC2)cc1 95352998 CJOLNLGSLHEWGN-NVXWUHKLSA-N 303.427 3.531 0 40 DHAB CNC(=O)c1ccc(NCc2csc(C(C)C)n2)c(C)c1 95409866 CTHFWIAOJNKISM-UHFFFAOYSA-N 303.431 3.547 0 40 DHAB Cc1cccc([C@H](NCc2cc(=O)c(O)co2)C(C)(C)C)c1 95985704 FXKRVDRWQUQBPL-KRWDZBQOSA-N 301.386 3.531 0 40 DHAB Cc1ccc(CN2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)s1 96058312 RIHOELGKHNDUPQ-FHWLQOOXSA-N 312.482 3.888 0 40 DHAB CO[C@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 96097386 ZASCCAAQNHXDNT-CYBMUJFWSA-N 313.781 3.658 0 40 DHAB CCN(C)C(=O)Nc1cccc(CSC2CCOCC2)c1 96407999 MKGCTZIKLBLFOO-UHFFFAOYSA-N 308.447 3.582 0 40 DHAB CN(C)c1nc(CN[C@@H]2CCc3cc(Cl)ccc32)cs1 96478973 YHTNCCWVFXYCQV-CQSZACIVSA-N 307.850 3.640 0 40 DHAB Cc1ncccc1OCc1nnc(-c2ccccc2Cl)o1 96501104 XNRMCOLJGRQTMY-UHFFFAOYSA-N 301.733 3.672 0 40 DHAB Cc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1 96621556 YEBHKGKFCWZNFR-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB Cc1nnc(CNC2(Cc3ccccc3)CCCC2)n1C1CC1 97112689 INWXNAILNHYSPK-UHFFFAOYSA-N 310.445 3.567 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 105757851 CKDOXQLTSQDWES-SZOQZIPDSA-N 309.413 3.663 0 40 DHAB COc1ccc(CNCCCc2c[nH]c3ccccc23)cc1OC 107714233 AUOHZFSZUVRXOO-UHFFFAOYSA-N 324.424 3.908 0 40 DHAB CCCOc1ccc(C(=O)NCCSCc2ccco2)cc1 218980715 YHFKQTMGQLMRGE-UHFFFAOYSA-N 319.426 3.732 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1c1nc2ccccc2s1 224112054 ZDUGOEBNZQGOOH-HNNXBMFYSA-N 307.378 3.803 0 40 DHAB Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)CC2)cc1C 225639788 KJNIMQCDSCVFBH-UHFFFAOYSA-N 308.425 3.574 0 40 DHAB CCc1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 225744271 CWLCMWRRXSSYNX-UHFFFAOYSA-N 320.392 3.511 0 40 DHAB Cc1ccc(NC(=O)c2snnc2-c2cccs2)cc1 225787609 PTUIHWMQCPULCA-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)c(C)n1 225884171 WRQDAFLNZVYZCY-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB Cc1cncc([C@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 257299948 RSHFJBYLFOPZSP-GOSISDBHSA-N 319.412 3.512 0 40 DHAB Cc1ccc(S(=O)(=O)/N=c2/ssc3ccccc23)cc1 408732789 ZAJNEXGWXBAIGE-CCEZHUSRSA-N 321.448 3.561 0 40 DHAB CCc1nc(CN(C)Cc2ccc(C(=O)O)c(Cl)c2)cs1 570338482 VAUQVICYEGPIDU-UHFFFAOYSA-N 324.833 3.689 0 40 DHAB Cc1cccc(NC(=O)NCc2ccnc(-c3ccncc3)c2)c1 585350455 IJBDSINAABCMDW-UHFFFAOYSA-N 318.380 3.774 0 40 DHAB Cc1noc(C)c1C(=O)NCc1cc(-c2ccoc2)cs1 1775969868 PICJUOMMHRHMLN-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB CC(C)(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 535922 BUGYNSHIBQDBCH-UHFFFAOYSA-N 313.788 3.881 0 40 DHAB COc1ccc([C@@H](CC(=O)Nc2nccs2)C(C)C)cc1 554348 RAWVNRXAGXHLQO-AWEZNQCLSA-N 304.415 3.920 0 40 DHAB CCCC(=O)Nc1nnc(SCc2cccc(F)c2)s1 4078272 UHKFFLZGCMWSDE-UHFFFAOYSA-N 311.407 3.708 0 40 DHAB C[C@H](CC(=O)O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 4603387 WSAZUSZQDDRFPN-ZDUSSCGKSA-N 313.353 3.918 0 40 DHAB Cc1cccc(CSCc2nnc(NC(=O)C(C)C)s2)c1 4715760 KPPPPHIJVHWPOT-UHFFFAOYSA-N 321.471 3.874 0 40 DHAB c1ccc(C(Nc2ncnc3[nH]cnc23)c2ccccc2)cc1 4994127 UWJNBBOLPUOMST-UHFFFAOYSA-N 301.353 3.554 0 40 DHAB COc1cc(NC(=O)CCc2c[nH]c3ccccc23)cc(OC)c1 5681836 RXYMIKSOYLCFSU-UHFFFAOYSA-N 324.380 3.756 0 40 DHAB O=C1c2ccccc2C[C@]12Cc1ccc3c(c1C2=O)CCCC3 6576130 HJEQLZWLQIVQKC-NRFANRHFSA-N 302.373 3.730 0 40 DHAB CCc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)s1 7036955 ITRWAGRHAMBBLF-UVTDQMKNSA-N 320.483 3.701 0 40 DHAB CCCc1cc(C(=O)NCc2ccc(C(=O)O)cc2)sc1C 8392056 LWPDSSHOYUFTGZ-UHFFFAOYSA-N 317.410 3.637 0 40 DHAB NC(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccc(F)cc1 8748411 ABLZDMMLALPSDB-ZDUSSCGKSA-N 314.143 3.738 0 40 DHAB O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)CCCC3)on1 9343791 CNBAWLVPMOKDRL-UHFFFAOYSA-N 319.364 3.868 0 40 DHAB O=c1cc(CSCc2cccc(Cl)c2)nc2ccccn12 9503372 HZQUQBABGNROQO-UHFFFAOYSA-N 316.813 3.781 0 40 DHAB Cc1csc2nc(COc3ccc(C(C)C)cc3)cc(=O)n12 11286725 AVDUMFVNCPINHR-UHFFFAOYSA-N 314.410 3.767 0 40 DHAB O=C(NCCSCc1ccccc1)c1cccc2cccnc12 13000930 SBRVEQRAMXDSDU-UHFFFAOYSA-N 322.433 3.898 0 40 DHAB Cc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2)cc1 13072792 YRRGGHFYPDCZPS-UHFFFAOYSA-N 302.805 3.719 0 40 DHAB CCOc1ccccc1C(=S)NCCc1ccc(OC)cc1 13547014 ZZBPHAJNJZMVOQ-UHFFFAOYSA-N 315.438 3.602 0 40 DHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2C)c1C 14492608 QOYUSKGJGYMKGW-UHFFFAOYSA-N 320.776 3.632 0 40 DHAB COc1ccc2c(c1)CC/C2=N\c1ccc(Br)cn1 17917011 GQTVKTVAUHWFIV-NBVRZTHBSA-N 317.186 3.920 0 40 DHAB CCOC(=S)Sc1ccc(C(=O)O)c(Br)c1 22053164 XZYWXUHGKNWEPY-UHFFFAOYSA-N 321.217 3.561 0 40 DHAB in-vitro CC(C)(C)c1cn2nc(N3CCc4sccc4C3)sc2n1 24061254 VTRWSECNBUGQER-UHFFFAOYSA-N 318.471 3.713 0 40 DHAB O=C(NCc1ccc(Cl)s1)N[C@@H]1CCOc2ccccc21 26167317 LMPNMRSXCSQFKU-GFCCVEGCSA-N 322.817 3.725 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1 27793202 FPQOMHUFMBYCHS-HXUWFJFHSA-N 322.452 3.870 0 40 DHAB O=C(c1ccc(Br)cc1)N1CCOC12CCCCC2 35671106 VNROFMMEXRKFIP-UHFFFAOYSA-N 324.218 3.582 0 40 DHAB CCOc1ccc(NC(=O)CNc2ccccc2)cc1Cl 37765825 GZYACHDLHMWWEX-UHFFFAOYSA-N 304.777 3.789 0 40 DHAB O=C1C[C@@H](C(=O)Nc2cccc(OC(F)F)c2)c2ccccc21 38488480 PUBLPMVPJNFSHR-CQSZACIVSA-N 317.291 3.597 0 40 DHAB O=C(Nc1cccc(OC(F)F)c1)c1ccc2nsnc2c1 38488912 ZRCKFKUFPQEIGN-UHFFFAOYSA-N 321.308 3.545 0 40 DHAB CCC[C@@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39755704 MVWWNSSSUAUWLH-CQSZACIVSA-N 322.880 3.857 0 40 DHAB CN(Cc1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cn1 40160667 MYDMXLVYZULVDK-UHFFFAOYSA-N 324.302 3.508 0 40 DHAB CCc1ccc(CNC(=O)c2cc3c(F)cccc3[nH]2)s1 48275061 QNPZYVJACXLLDZ-UHFFFAOYSA-N 302.374 3.861 0 40 DHAB CC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 48403788 UGIBXSPOZIFSQB-GFCCVEGCSA-N 302.757 3.927 0 40 DHAB in-vitro Cc1ccc(NC(=O)C2CCCC2)c(OC[C@@H]2CCCO2)c1 55652814 HUKQBBSINFCWDV-HNNXBMFYSA-N 303.402 3.682 0 40 DHAB CCN(CC)CCC[C@@H](C)NC(=O)CSc1ccc(C)cc1 57157008 CUTQXTQPARBDJG-MRXNPFEDSA-N 322.518 3.714 0 40 DHAB Cc1nc(C)c(C(=O)Nc2cc(F)cc(N3CCCC3)c2)s1 69436185 LCRAKNRFWHBJQB-UHFFFAOYSA-N 319.405 3.752 0 40 DHAB O=C(Oc1cccc(-c2nnco2)c1)c1cc2cc(F)ccc2[nH]1 71859275 BDKCEWXSLGQYPK-UHFFFAOYSA-N 323.283 3.576 0 40 DHAB CCCN(C(=O)CC)[C@@H](c1ccc(F)cc1)c1cccnc1 72277508 AHXWCQCQZCQTME-SFHVURJKSA-N 300.377 3.959 0 40 DHAB c1ccc2c(c1)CCCC[C@@H]2NCc1cnc(N2CCCC2)nc1 78394267 SGVVTJJNGRCGSU-IBGZPJMESA-N 322.456 3.634 0 40 DHAB C[C@H](NC(=O)c1ccco1)c1nc(-c2cc3ccccc3o2)no1 88337840 GUNOMEBTHNPLRW-JTQLQIEISA-N 323.308 3.567 0 40 DHAB Cc1nc(COC(=O)c2ccc(Oc3cccnc3)cc2)oc1C 89558540 BSWPYQVQSYRZKZ-UHFFFAOYSA-N 324.336 3.836 0 40 DHAB Cc1ccccc1-c1nc(COc2cccc([C@H](C)O)c2)no1 95414773 HKNNSKHZRNGEFP-ZDUSSCGKSA-N 310.353 3.677 0 40 DHAB O=C(c1ccc(Br)cc1)C(F)(F)C(F)(F)F 95917408 BTDFBFUHKQGGBX-UHFFFAOYSA-N 303.024 3.829 0 40 DHAB Cc1cc([C@@H](C)NC(=O)NC[C@H](O)c2cccs2)c(C)s1 95960671 COOHSUNZZSTNMX-MFKMUULPSA-N 324.471 3.520 0 40 DHAB CC1(C)C[C@@H](NC(=O)CCCc2ccccn2)c2ccccc2O1 96473539 PVGADNCWDOEIBN-QGZVFWFLSA-N 324.424 3.823 0 40 DHAB Cc1ncc([C@@H](C)Nc2cccc(Cn3cccn3)c2)c(C)n1 97037323 JWAFZILZZQMTMP-CQSZACIVSA-N 307.401 3.511 0 40 DHAB CCS[C@@H]1CC[C@H](NC(=O)Cc2cnc3ccccc3c2)C1 131374081 NEHXJHGRZLZJAM-JKSUJKDBSA-N 314.454 3.568 0 40 DHAB CCCn1c(C)nnc1COc1ccccc1-c1nccs1 195572955 GAHTUEIBIVEDSU-UHFFFAOYSA-N 314.414 3.699 0 40 DHAB CS[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 206690487 QJYOBKJVNBMVPA-NSHDSACASA-N 304.337 3.675 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1ccc(C)cc1 216302008 LFUFOWUYFQDFKJ-GOSISDBHSA-N 317.454 3.874 0 40 DHAB O=C(NCCCc1ccc(F)cc1)c1ccc(Cl)cc1F 223297239 CQOUVLNITCSMOY-UHFFFAOYSA-N 309.743 3.981 0 40 DHAB COCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OC 224396511 HUKBAKPUCBNEKV-UHFFFAOYSA-N 305.761 3.747 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1 225595086 HDVPBNBEGLOOKS-HNNXBMFYSA-N 307.390 3.564 0 40 DHAB C[C@H](NC(=O)c1snnc1-c1ccccc1)c1ccccc1 225758689 IAMYFPXWCAPXML-LBPRGKRZSA-N 309.394 3.696 0 40 DHAB Fc1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225855215 ZNGLAVZQXIUHMO-UHFFFAOYSA-N 315.417 3.977 0 40 DHAB Cc1[nH]nc(C(F)F)c1NC(=O)C[C@@H]1CCc2ccccc2C1 272508265 WYENUBUUPITKMI-LLVKDONJSA-N 319.355 3.789 0 40 DHAB O=C1C[C@@H](C(=O)Nc2cncc3ccccc23)c2ccccc21 530450655 FLMJRJUJVBICOB-MRXNPFEDSA-N 302.333 3.544 0 40 DHAB Cc1ccc(-c2noc(CN3CC[C@H]3Cc3ccccc3)n2)cc1 530994613 RBIUVGOJTDHIEH-SFHVURJKSA-N 319.408 3.862 0 40 DHAB Cc1nc2n(C)c3ccccc3n2c1C(=S)Nc1ccccc1 499554 AGSCVOOEAWHRSY-UHFFFAOYSA-N 320.421 3.922 0 40 DHAB COc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 550352 JTEWTRNUWVJWKQ-UHFFFAOYSA-N 317.352 3.568 0 40 DHAB Cc1cc(NNc2ccccc2)nc(NCc2ccccc2)n1 550365 JXFJWUWGNBHYPP-UHFFFAOYSA-N 305.385 3.836 0 40 DHAB COc1cnc(-c2ccccn2)nc1Sc1ccc(F)cc1 1401650 MFUCBYRUQFMVJU-UHFFFAOYSA-N 313.357 3.838 0 40 DHAB CCCCC(=O)NC(=O)NC(c1ccccc1)c1ccccc1 2296337 XCACERSYQJIZPA-UHFFFAOYSA-N 310.397 3.792 0 40 DHAB CC(C)CC(=O)OCc1ccc(COC(=O)CC(C)C)cc1 3313629 UVEWGVNQVBHNKX-UHFFFAOYSA-N 306.402 3.865 0 40 DHAB Cc1cc(OCCCC(=O)NCc2ccco2)ccc1Cl 3360224 UJQVEQIGBHDEPX-UHFFFAOYSA-N 307.777 3.717 0 40 DHAB CCOc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 3482856 RGKSPDGDNOHYLJ-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB CCSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 4072037 USYXYCCVOKTIEZ-UHFFFAOYSA-N 323.487 3.805 0 40 DHAB CCC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@@H]2[C@@H]1c1ccco1 4555196 OFOXTMOYXZXIJT-PJSAGSTRSA-N 315.344 3.994 0 40 DHAB COC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 5576750 IXPRFRBSHPATFQ-UHFFFAOYSA-N 320.348 3.582 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 5628416 XXFFNUBOFHXZRJ-XQQFMLRXSA-N 317.458 3.738 0 40 DHAB CN(C)c1ccc(NC(=O)CSc2ccccc2F)cc1 5643672 YCUHUOMQYTVBEW-UHFFFAOYSA-N 304.390 3.623 0 40 DHAB Clc1ccc(Cl)c(SCCSc2ncn[nH]2)c1 5737315 YKOMCEPBAYEOHC-UHFFFAOYSA-N 306.243 3.996 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1ccccc1Br 6527378 AMJXGIULKQKVSE-UHFFFAOYSA-N 323.215 3.647 0 40 DHAB O=C(Nc1nnc(C2CCCCC2)s1)c1cc(Cl)ccn1 9497308 VLWKJDGETNWPST-UHFFFAOYSA-N 322.821 3.887 0 40 DHAB Cc1cc(C)cc(NC(=O)C(=O)Nc2ccccc2Cl)c1 9995573 SEWNDFJPZXFPFO-UHFFFAOYSA-N 302.761 3.534 0 40 DHAB CCc1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 10338267 MBONHQFHLUHUHW-UHFFFAOYSA-N 310.397 3.779 0 40 DHAB Fc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1F 12322747 QATCAMXKNXOBBA-UHFFFAOYSA-N 314.320 3.798 0 40 DHAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1nccs1 12422201 HVCMYJIIQSPQAD-UHFFFAOYSA-N 319.773 3.633 0 40 DHAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1OC 13935015 CCIZJRJQLONBRY-LBPRGKRZSA-N 316.426 3.751 0 40 DHAB Cc1cc(C)cc(OCCOC(=O)c2cc(Cl)ccc2O)c1 14199195 DYTXZENELHEQDA-UHFFFAOYSA-N 320.772 3.898 0 40 DHAB COc1ccc2c(c1)C=C(C(=O)N(C)c1ccccc1)C=CO2 15838796 CDFBLXPQHNZALL-UHFFFAOYSA-N 307.349 3.648 0 40 DHAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc2ccccc2c1 20139108 CYEXUGRVOIOBTQ-UHFFFAOYSA-N 321.332 3.799 0 40 DHAB COc1ccc(-c2n[nH]c(Nc3ccc(Cl)cc3)n2)cc1 20411714 UZJWCVFLNYKOQD-UHFFFAOYSA-N 300.749 3.877 0 40 DHAB CCOC(=O)c1c(NC(=O)N2CCC[C@H](C)C2)sc(C)c1C 24562521 DAHSSHQZSBCNIY-JTQLQIEISA-N 324.446 3.805 0 40 DHAB Cc1ccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 25364512 XEWPRUCKISEGNZ-MRXNPFEDSA-N 306.413 3.735 0 40 DHAB COCCCNC(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C 26961963 XGJHWWMAUCJICE-GOSISDBHSA-N 321.461 3.756 0 40 DHAB COc1cc(-c2nc3cc(Cl)ccc3[nH]2)cc(OC)c1OC 32668238 BXLXWRZJDCPBKN-UHFFFAOYSA-N 318.760 3.909 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccccc2)N(C)C)C1(C)C 32850697 SWGZPHVUDRDBMM-SQNIBIBYSA-N 314.473 3.644 0 40 DHAB Cc1ccccc1CSc1ccc(C(=O)N2CCCC2)cn1 32907410 ZTYMKBZBYXTOSP-UHFFFAOYSA-N 312.438 3.918 0 40 DHAB CCCCN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 32907719 IVHYXZUZXSDMAN-UHFFFAOYSA-N 310.397 3.811 0 40 DHAB CC(C)(C)C(=O)Nc1cc(O[C@H]2CCCCO2)c(F)cc1F 36452012 QUNMJYUCYGORCM-AWEZNQCLSA-N 313.344 3.855 0 40 DHAB in-vitro O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1ccccc1Cl 36620696 QFOHOHKJOKGEFI-MRXNPFEDSA-N 321.829 3.866 0 40 DHAB Clc1ccc(OC[C@@H]2CCNC2)c(Cc2ccccc2)c1 42773746 GRQYWKPTPRCABS-OAHLLOKOSA-N 301.817 3.919 0 40 DHAB CCCc1cc(Br)ccc1OC[C@@H]1CCCNC1 42774476 DHKCJIKECTUIHD-GFCCVEGCSA-N 312.251 3.780 0 40 DHAB CN(C(=O)Nc1nnc(C2CC2)s1)[C@@H]1CCc2ccccc21 43359759 LKKXKVHJKBKBIR-CYBMUJFWSA-N 314.414 3.567 0 40 DHAB Cc1cccc(OCc2nnc(SCc3cc(C)on3)o2)c1 48353890 ALIXYAAGFAEAAA-UHFFFAOYSA-N 317.370 3.546 0 40 DHAB Cc1c(C(=O)NC2(c3ccccc3)CCC2)oc2c1C(=O)CCC2 49618104 ROLQCKVWBSHLJF-UHFFFAOYSA-N 323.392 3.916 0 40 DHAB COc1ccc(NC(=O)Nc2cc(OC)ccc2OC)c(C)c1 51355830 HPKIYMPKQKWILR-UHFFFAOYSA-N 316.357 3.665 0 40 DHAB O=c1[nH]c(Cc2ccc(O)cc2)nc2scc(-c3ccco3)c12 55503538 ZYCROQRHQBKNOK-UHFFFAOYSA-N 324.361 3.541 0 40 DHAB O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)C1CCC1 56460819 CMOIAYKLGMDNSF-UHFFFAOYSA-N 315.413 3.534 0 40 DHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(C)cn1 58227735 AMTWFYFNXYKISU-FUHWJXTLSA-N 309.413 3.583 0 40 DHAB COc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C)cc2C)cc1 59472444 MTYZXFQKTWTCKQ-UHFFFAOYSA-N 322.364 3.863 0 40 DHAB O=c1[nH]n(C2CCCC2)c2c1[C@@H](C1CCCCC1)CC(O)=N2 71283813 RLOJVDVBAJBTJN-CYBMUJFWSA-N 303.406 3.947 0 40 DHAB CC[C@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)c1c(C)noc1C 71853518 UHIZAIDJJZQELC-RNCFNFMXSA-N 322.355 3.941 0 40 DHAB CCc1csc([C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n1 72282254 LKJXNIZAFGNNPX-ZIAGYGMSSA-N 304.459 3.768 0 40 DHAB COc1ccccc1-c1ccc(C[C@@H]2CCCN(C(C)=O)C2)cn1 72360727 SEPSGFIZEVJPKI-KRWDZBQOSA-N 324.424 3.558 0 40 DHAB CCN(C(=O)c1cc([C@@H]2CCCN2C)ccn1)C1CCCCC1 72369301 ZJPQKAYSDCIBAN-SFHVURJKSA-N 315.461 3.643 0 40 DHAB O=C(c1ccc2ccccc2c1)N1CCC[C@@H](N2CCCC2)C1 76925878 IBTJSQSXMKHUAS-LJQANCHMSA-N 308.425 3.540 0 40 DHAB CN(C)c1cc[n+](CCCOc2cccc3ccccc23)cc1 79912676 CQUMGVASOMSVEM-UHFFFAOYSA-N 307.417 3.662 0 40 DHAB CCOC[C@H]1CCN(C(=O)Nc2nc([C@H](C)CC)cs2)C1 81637633 SRIMHSOEBQIWAI-NEPJUHHUSA-N 311.451 3.547 0 40 DHAB COCc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)o1 89420351 MFNJLJVEDMEPSH-UHFFFAOYSA-N 320.776 3.906 0 40 DHAB COc1ccc(-c2nc(C)c([C@H](C)N[C@@H]3CCOC3)s2)cc1 89724326 WCDVKXCCBYYWGA-SMDDNHRTSA-N 318.442 3.567 0 40 DHAB CSC[C@H]1CCN(Cc2ccc(F)c(Br)c2)C1 95960794 IUXIYJSVSAAZRJ-NSHDSACASA-N 318.255 3.773 0 40 DHAB O=C(CS[C@@H]1CCc2ccc(F)cc21)NCc1cccs1 95963572 LBRUTUYCYFXZCC-OAHLLOKOSA-N 321.442 3.924 0 40 DHAB CC(=O)c1c(F)cccc1N1CCC[C@@H](c2nccs2)C1 95994704 KOTHEOYNZOPRII-GFCCVEGCSA-N 304.390 3.869 0 40 DHAB Cc1nc([C@H]2CCCCCN2C(=O)Nc2cccc(F)c2)no1 95998870 IWGDQVWPYKPGBS-CQSZACIVSA-N 318.352 3.666 0 40 DHAB C[C@H](C(=O)N(Cc1cccs1)C1CC1)[C@H](N)c1ccccc1 96467575 AWRBBEVNXAUPRZ-GUYCJALGSA-N 314.454 3.575 0 40 DHAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCC(F)(F)F)C1 97014467 BRSSXUUEBBKWCU-NEPJUHHUSA-N 324.387 3.564 0 40 DHAB Cc1csc([C@H](C)CNC(=O)N[C@@H](C)Cc2cccs2)n1 97109799 FHTLSFAQYHGFME-MNOVXSKESA-N 323.487 3.547 0 40 DHAB C[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccsc1 97234242 LATNOJOFZRWJLS-DOMZBBRYSA-N 318.446 3.512 0 40 DHAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H](C)Oc1ccccc1 106715927 WGSRINSIHHMAFO-OAHLLOKOSA-N 321.380 3.587 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccccc2OC(C)C)cc1 219739270 GVIFKYAMZQKJKC-UHFFFAOYSA-N 313.397 3.591 0 40 DHAB Cc1cccc(OCC(=O)NCCCc2ccc(Cl)cc2)c1 222753789 UMCPHSDBGNBMKO-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 224609821 SFUOOSGEHXJLQY-HNNXBMFYSA-N 315.388 3.569 0 40 DHAB CCNC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224896870 NHXYMWLTUGHCMO-UHFFFAOYSA-N 322.364 3.767 0 40 DHAB COc1ccccc1O[C@@H](Cc1ccc(C(C)C)cc1)C(=O)O 225045992 FSUXBTCJJFRWQM-SFHVURJKSA-N 314.381 3.893 0 40 DHAB O=C(Cc1cccc(Br)c1)Nc1cccc(F)c1 225613830 AIRNKVLGCNHECU-UHFFFAOYSA-N 308.150 3.769 0 40 DHAB Fc1ccc(CN2CCC[C@@H](COc3ccncc3)C2)cc1 1776000728 HKDRUOFVBNQGQL-MRXNPFEDSA-N 300.377 3.512 0 40 DHAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CNc1ccccc1 482153 BFBXSTRUYGNONL-UHFFFAOYSA-N 321.163 3.659 0 40 DHAB COc1ccc(-c2nnc3sc(C4CCCCC4)nn23)cc1 525478 YQUUEEXYZCHUOI-UHFFFAOYSA-N 314.414 3.909 0 40 DHAB Clc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1 529437 FJYSZUZJQNVUCZ-UHFFFAOYSA-N 313.792 3.823 0 40 DHAB CCCCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 2399064 PCDQYGJYOSFXDE-VIFPVBQESA-N 301.412 3.548 0 40 DHAB O=C(c1cccc(CN2CCC2)c1)c1ccc(F)cc1Cl 2515136 BACCFZDVJKKPCI-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccc(Cl)nc3)cc2s1 2627709 IXIYYTQOQWJTRM-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB Cc1sc(NC[C@H]2CCCO2)nc1-c1ccc(F)c(F)c1 3328455 GPNIQYJBWUZLFE-LLVKDONJSA-N 310.369 3.988 0 40 DHAB C[C@@H]1Sc2nnc(-c3cccs3)n2N=C1c1ccccc1 4060792 SOZMCXKJZPLYMU-JTQLQIEISA-N 312.423 3.753 0 40 DHAB CC(C)(C)CC(=O)Nc1nnc(CCc2ccccc2)s1 4696302 RGLLISPMZSPZGB-UHFFFAOYSA-N 303.431 3.698 0 40 DHAB COc1cccc(C(=O)NCCOc2cccc3ccccc23)c1 5745903 NTAQXYPFBUOHQU-UHFFFAOYSA-N 321.376 3.657 0 40 DHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(F)cc1 6083471 CNHCYNQQISUDDG-UHFFFAOYSA-N 318.436 3.744 0 40 DHAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6308491 DRJDXHGHAOKTLO-UHFFFAOYSA-N 318.398 3.710 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 6795391 NUXUVWFBHALEIM-ZZFFKQLHSA-N 319.470 3.570 0 40 DHAB O=c1c(SCc2cccc(F)c2)nccn1-c1ccccc1 6915166 HCJGACRXPPBFNE-UHFFFAOYSA-N 312.369 3.664 0 40 DHAB O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1 7849918 NRFJBOASGOIDSW-UHFFFAOYSA-N 308.425 3.603 0 40 DHAB CC(=O)c1ccc(NCC(=O)Nc2ccc(Cl)cc2F)cc1 7952972 GGBPBDXZWRPDHK-UHFFFAOYSA-N 320.751 3.732 0 40 DHAB Clc1ccc(COc2cccc(-n3cnnn3)c2)cc1Cl 7980896 UYCROPPUIQDDQD-UHFFFAOYSA-N 321.167 3.548 0 40 DHAB COc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 8287281 XWTVDDUKBFJACH-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB Cc1cc(-c2cnc(NCCc3ccco3)nc2C(C)C)on1 12186851 SGPYOLYTKLESLA-UHFFFAOYSA-N 312.373 3.811 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC(F)F)cc1 12751668 HYLXTJOIALYMIA-FZMZJTMJSA-N 312.360 3.666 0 40 DHAB C[C@H](NC(=O)CN(C)[C@@H](C)c1ccccc1)c1cccs1 12902191 QTXCCJLRZSRDRE-KBPBESRZSA-N 302.443 3.618 0 40 DHAB O=C(CCc1ncc(-c2ccccc2)o1)NCCc1ccccc1 13010993 UVZWSLAWVSACJK-UHFFFAOYSA-N 320.392 3.633 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 14398958 LDHFTGJBAJFCJH-SJORKVTESA-N 311.425 3.900 0 40 DHAB CC[C@H](NC(=O)CN(C)Cc1ccc(C)o1)c1ccc(C)cc1 15296540 MHGPPZLDLUTXKV-SFHVURJKSA-N 314.429 3.596 0 40 DHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(Cl)cn1 15479305 KNRSKNIUPSGZET-GFCCVEGCSA-N 321.833 3.572 0 40 DHAB O=C(Nc1nc2ccccc2s1)c1cc(Cl)ccc1O 21015290 QFYZPOQSYLNAJT-UHFFFAOYSA-N 304.758 3.908 0 40 DHAB CC(C)c1cc(NC(=O)CN2c3ccccc3CC[C@@H]2C)on1 23199986 MQKZWIVEWRVJAR-ZDUSSCGKSA-N 313.401 3.578 0 40 DHAB O=C(c1c[nH]c2ccccc12)N1CCc2[nH]c3ccccc3c2C1 32891428 DITBESLCWOGBKI-UHFFFAOYSA-N 315.376 3.848 0 40 DHAB CN(C(=O)c1cc(-c2ccccc2)on1)c1nc2ccccc2o1 32906951 AJRCAQQSDBQWHP-UHFFFAOYSA-N 319.320 3.759 0 40 DHAB O=C(c1ccco1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 35281448 RDQHRGGNPABBMH-AWEZNQCLSA-N 323.352 3.697 0 40 DHAB Cc1c(C(=O)CN2CCc3ccccc3C2)c2ccccc2n1C 35938040 PUSBONIESHPOHY-UHFFFAOYSA-N 318.420 3.728 0 40 DHAB CC(C)Oc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1 41155799 MGMWXBWYFTYQPB-CQSZACIVSA-N 311.381 3.902 0 40 DHAB Cc1noc(C)c1CC(=O)O[C@H](c1ccccc1)c1ccccn1 42622481 GVSRQOQWCVEUEH-LJQANCHMSA-N 322.364 3.562 0 40 DHAB COc1ccc(S[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 43277396 LDTSNOBMZUZGLC-CQSZACIVSA-N 315.438 3.834 0 40 DHAB Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2C)c1 45604918 VWPPFUFRSHULTG-UHFFFAOYSA-N 316.451 3.904 0 40 DHAB COc1ccc(CNCc2ccc(Cl)cc2Cl)cc1O 48301159 OTTCZKOSRMHGNT-UHFFFAOYSA-N 312.196 3.997 0 40 DHAB CC1CCC(N2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)CC1 51129570 SEVDNXBPKCCPTF-GRXDXKALSA-N 321.420 3.915 0 40 DHAB CC(C)N(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)[nH]n1 54301109 QXDAPJNQDCYFHR-UHFFFAOYSA-N 320.396 3.523 0 40 DHAB COc1c(CNC(c2ccccc2)c2ccccc2)c(C)nn1C 58293134 LJLVVTRYNYYABE-UHFFFAOYSA-N 321.424 3.616 0 40 DHAB CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H]1CCc2ccccc21 58378277 XHEFSLSJRIMOBE-INIZCTEOSA-N 324.428 3.925 0 40 DHAB O=C(Nc1cccc2[nH]ccc12)c1ccc2c(c1)OCCCO2 58429688 QVRYWWHSSGWJPV-UHFFFAOYSA-N 308.337 3.582 0 40 DHAB O=C(NCCCOC1CCCCC1)c1ccnc2ccccc12 66067026 AFVMQYITUZRFHF-UHFFFAOYSA-N 312.413 3.704 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2)o1 69669066 WHKACBFZFHABBT-UHFFFAOYSA-N 315.760 3.739 0 40 DHAB CC(=O)Nc1ccc(NC(=S)Nc2cc(F)ccc2C)cc1 71761588 GUVKNHKRZCHGOA-UHFFFAOYSA-N 317.389 3.901 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)c2cc(C)n(C(C)C)c2C)on1 71820949 GOZSFTPQFSVLSE-MRXNPFEDSA-N 315.417 3.960 0 40 DHAB C[C@@H](c1cccnc1)N(C(=O)CCCc1ccccn1)C1CC1 71903576 AYKYNKQFQQFBBB-HNNXBMFYSA-N 309.413 3.552 0 40 DHAB Cc1cc(N(C)C)ncc1[C@H]1CCCN1C(=O)OC(C)(C)C 72218678 JTTUFZOITPGJAX-CQSZACIVSA-N 305.422 3.528 0 40 DHAB O=C(OCCOc1c(Cl)cccc1Cl)[C@@H]1CCCS1 72312537 ZHIYUGLTSSBNTC-NSHDSACASA-N 321.225 3.811 0 40 DHAB O=C(CSc1ccc2c(c1)CCC2)N1CCCc2ncccc21 73311840 VBXDFNXYERPYFD-UHFFFAOYSA-N 324.449 3.642 0 40 DHAB CC(=O)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 75141594 RODJHWCSQJLPHX-AWEZNQCLSA-N 323.318 3.779 0 40 DHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@H]1CCNC1 89744419 IUALHNZZYBGOIL-GHMZBOCLSA-N 315.244 3.512 0 40 DHAB CC[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1CC)c1ccccc1 89948728 VIWZZVRNMLIZDL-SNRMKQJTSA-N 314.473 3.764 0 40 DHAB CCSc1nnc(SCc2c(C)nc3ccccn23)s1 96424796 QJRSVEVRQQXFGJ-UHFFFAOYSA-N 322.484 3.899 0 40 DHAB C[C@@H](CNC(=O)N[C@H](C)c1ccccn1)Sc1ccccc1 96437627 CDPSDRUVUNYBNR-UONOGXRCSA-N 315.442 3.623 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NC[C@]2(C)CCCS2)c1 96466889 KUZSSBSWXJLMRW-WBMJQRKESA-N 308.447 3.801 0 40 DHAB c1cncc(CN2CCC(Nc3cnc4ccccc4c3)CC2)c1 97140624 FNTWOLQOWKQCKS-UHFFFAOYSA-N 318.424 3.706 0 40 DHAB COc1ccc(C(C)=O)cc1CC(=O)O[C@H]1CCC[C@@H](C)C1 98071019 BDTVYZAXILILRO-WBMJQRKESA-N 304.386 3.562 0 40 DHAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CC[C@H]2C[C@H]1CCCC[C@]13O4 100741969 NYWUQKFITQFOEY-WYBWHWPOSA-N 304.430 3.741 0 40 DHAB CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 108087468 SWYSHFYEMCJEEY-KHYOSLBOSA-N 316.489 3.892 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc(C)c(C)c2)cc1OC 138560063 NCCPEMWOOCVHKT-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB Cc1sc(Nc2ccc(C(F)(F)F)cc2)nc1C(=O)O 164614165 OSPVIUZFRNSMOG-UHFFFAOYSA-N 302.277 3.912 0 40 DHAB CCc1nnc(COc2cc(Cl)c(Cl)cc2C(C)=O)o1 193099360 DWITZTCUMPISIW-UHFFFAOYSA-N 315.156 3.720 0 40 DHAB Cc1ccc(Oc2ccc(I)cn2)cc1 200600543 BHQMLLQPHFWZSX-UHFFFAOYSA-N 311.122 3.787 0 40 DHAB CC(C)N1CC(=O)N(Cc2ccc(C3CCCCC3)cc2)C1=O 505552591 BHYPGDDXIGTZTA-UHFFFAOYSA-N 314.429 3.907 0 40 DHAB CCOC(=O)[C@@H]1C(=N)c2cc(OC)ccc2[C@H]1Cc1ccccc1 524735314 RHSZUNZXRSUSGK-AEFFLSMTSA-N 323.392 3.582 0 40 DHAB CC1(C)CC[C@H]2CN(Cc3cccc(C(=O)O)c3)CC[C@@]2(C)O1 585286399 QOWSLDWDPWSSSE-QFBILLFUSA-N 317.429 3.554 0 40 DHAB CSc1ccc([C@@H](O)CNc2nc3cnccc3s2)cc1 1775971454 OROVTLCFGDLLJS-ZDUSSCGKSA-N 317.439 3.559 0 40 DHAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(F)cc3)sc2n1 105030 HKRBXLITKWGPCH-UHFFFAOYSA-N 315.373 3.887 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)c1 237383 NFARJXYOQCZGNG-UHFFFAOYSA-N 322.286 3.748 0 40 DHAB CC(C)(C)Oc1ncc(-c2ccncc2)c(OC(C)(C)C)n1 480959 YKEWOIKYFSKTDV-UHFFFAOYSA-N 301.390 3.893 0 40 DHAB CC1=C(C)C[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2C1 576065 FPELEILKLKNCMW-KBPBESRZSA-N 303.789 3.884 0 40 DHAB COCCCNCC[C@@H](CCC(C)C)c1ccc2c(c1)OCO2 2230046 HUNJLBDDZDWCKK-MRXNPFEDSA-N 321.461 3.951 0 40 DHAB O=C1Nc2ccccc2S[C@H]1Nc1ccc(F)c(F)c1F 3327358 SXIVPNHMNZBVJO-CQSZACIVSA-N 310.300 3.586 0 40 DHAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nncs2)c(C)c1 3413236 BBYDVHCRPRLNMC-NSHDSACASA-N 307.444 3.583 0 40 DHAB CC(=O)c1cccc(NC(=O)COc2cc(C)ccc2Cl)c1 3494271 PKNLUBVIMHDDFR-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB C#C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 3843516 QDYCOIXEXYKTPX-LOVDNMFISA-N 314.469 3.963 0 40 DHAB biogenic CC(C)Cn1c(SCC(=O)c2ccc[nH]2)nc2ccccc21 4484721 PXMKHLHFBXHHMG-UHFFFAOYSA-N 313.426 3.995 0 40 DHAB COc1ccccc1/C=C/C=C1\N=C(c2ccc(C)cc2)OC1=O 4588686 WXDUPNXLGDHPAL-IURGNXBSSA-N 319.360 3.904 0 40 DHAB O=C(COc1ccc2c(c1)OCO2)Nc1cccc2ccccc12 4783964 SXCSWDUMSCAGJD-UHFFFAOYSA-N 321.332 3.586 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1cc(Cl)ccc1Cl 5190843 VDRPBPKEWSTWMI-UHFFFAOYSA-N 320.179 3.982 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 5560920 XDBWCUBNIFCTAE-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB Cc1cccc2sc(NC(=O)COc3ccccc3F)nc12 5617614 AUCZTMMMJCLJEM-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB Cc1ccc2nc(CSc3ncnc4sccc34)cn2c1 5902745 JNTYSSLXPXTQHN-UHFFFAOYSA-N 312.423 3.940 0 40 DHAB Cc1cc(Cl)ccc1OC[C@@H](O)CN(C)C1CCCCC1 6008720 RAJBMWRBCRIGKM-INIZCTEOSA-N 311.853 3.653 0 40 DHAB Cc1ccsc1C(=O)OCc1nc(-c2cccs2)no1 7169852 ZYRRLEZGIYOGGE-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 7214733 CNDRDLNUDPYERN-CQSZACIVSA-N 321.298 3.959 0 40 DHAB Cc1cc(C)cc(Nc2nc3ccccc3c3nnc(C)n23)c1 7500027 ZLTVGPHOTOSESC-UHFFFAOYSA-N 303.369 3.946 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1 7755538 FKZCGEFZRDCMME-SFHVURJKSA-N 306.365 3.589 0 40 DHAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(F)cc2)c(C)c1 8062753 FPWCXFIPUJSUDT-UXBLZVDNSA-N 313.372 3.651 0 40 DHAB CCC[C@@H](CC(=O)N[C@@H]1CCCc2ccccc21)n1ccnc1 9467109 CNAKWJOKFULJSJ-FUHWJXTLSA-N 311.429 3.808 0 40 DHAB CCn1/c(=N\C(=O)c2ccc(F)cc2)sc2cc(F)ccc21 12180884 WWEOIZIUSQDVLQ-KNTRCKAVSA-N 318.348 3.742 0 40 DHAB O=C(NCCCn1ccc2ccccc21)c1ccc(F)cc1F 12565424 ZWNDIZMFFHFRJW-UHFFFAOYSA-N 314.335 3.740 0 40 DHAB CN(C(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2o1 12779341 NEJPCAWKIVMDGN-UHFFFAOYSA-N 318.279 3.706 0 40 DHAB CC(C)NC(=O)CSCc1csc(-c2cccs2)n1 12985440 GHPAEQNBCBAFBH-UHFFFAOYSA-N 312.485 3.629 0 40 DHAB Cn1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 13003698 UVDPPZOBWSYUNK-KRWDZBQOSA-N 323.421 3.892 0 40 DHAB Ic1cccc(-c2nc3ccccc3[nH]2)c1 16525148 LOMRPGVDFNKAKW-UHFFFAOYSA-N 320.133 3.835 0 40 DHAB Fc1cccc(Nc2nc(-c3ccncc3)nc3c2CCC3)c1 19293989 ICZTWFWXGSBJSY-UHFFFAOYSA-N 306.344 3.910 0 40 DHAB c1cc(-c2nnc(N3CCCC3)nc2-c2ccsc2)cs1 19406610 YMMYRSAPZMINBY-UHFFFAOYSA-N 314.439 3.929 0 40 DHAB O=C(Nc1nc(C2CC2)cs1)C1(c2ccc(F)cc2)CC1 23135216 YDLNFJLPCBKEGS-UHFFFAOYSA-N 302.374 3.830 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1cc(Cl)c(Cl)[nH]1 23621353 BQCIZVKSJPUKRD-QMMMGPOBSA-N 313.184 3.821 0 40 DHAB Cc1cn2c(CC(=O)Nc3ccc(F)c(Cl)c3)csc2n1 25050480 HCVWEUNOGBZXPR-UHFFFAOYSA-N 323.780 3.678 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNCc1ccccc1 28297089 MPZAGZWOMAQZPD-LJQANCHMSA-N 322.452 3.717 0 40 DHAB O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)C1CCC1 31773147 XYGGLBZNVJYWJC-UHFFFAOYSA-N 324.211 3.977 0 40 DHAB C[C@H]1C[C@H](OC(=O)CCC(=O)NC2CCCCC2)CC[C@H]1C 32581166 CTEKOCWIQAXHMQ-IJEWVQPXSA-N 309.450 3.583 0 40 DHAB Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](OCC(F)(F)F)C2)c1 32818358 SUZWGIFKBFYTCK-ZIAGYGMSSA-N 315.335 3.615 0 40 DHAB O=C(Nc1nccs1)c1cc(-c2cccc(Cl)c2)on1 32830239 HTAFGZHKTKTQKA-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB Cc1ccsc1C(=O)Nc1ccc(F)c(N2CCCC2=O)c1 32924891 UOBITAULHKLJLN-UHFFFAOYSA-N 318.373 3.575 0 40 DHAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@]21CC 35645885 WWYNJERNGUHSAO-UFOPBENGSA-N 312.453 3.883 0 40 DHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C[C@@H](C)c2ccccc2)C1 48374070 NYEWLKFVPFIXQH-KZNAEPCWSA-N 316.489 3.664 0 40 DHAB Cc1ccc(OCCCN2CCC(N3CCCC3)CC2)cc1C 51952911 RKGBBILKHMXVOF-UHFFFAOYSA-N 316.489 3.633 0 40 DHAB O=[S@@](Cc1cccc(F)c1)Cc1cc(-c2ccccc2)on1 57996415 MDAFFNHFQNZIHZ-JOCHJYFZSA-N 315.369 3.930 0 40 DHAB CCC(O)(CC)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 58377081 XKJQIZSDPZDLEN-UHFFFAOYSA-N 324.424 3.930 0 40 DHAB CCc1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 60382672 OEISZLABAPOQIG-UHFFFAOYSA-N 317.816 3.940 0 40 DHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cccc(CN2CCCC2)c1 67813687 OZBILATVXWOPSI-WOJBJXKFSA-N 320.436 3.568 0 40 DHAB COc1ccc(NC2=NC(=O)S/C2=C\c2ccncc2)cc1 71285771 ORCQESUWUXPIRV-UVTDQMKNSA-N 311.366 3.809 0 40 DHAB CC(C)c1nc(CNC(=O)N(C)[C@H](C)c2cccnc2)cs1 71879975 FNKCEYNWNNIFSP-GFCCVEGCSA-N 318.446 3.564 0 40 DHAB COc1cc(CCNC(=O)N(C)[C@H](C)c2ccco2)ccc1C 76020983 XRIBVVXJBAVPOH-CQSZACIVSA-N 316.401 3.542 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)Cc1cn(C(C)C)c2ccccc12 79481836 DEVBACAGZMIBFL-UHFFFAOYSA-N 324.428 3.754 0 40 DHAB Cc1csc(CN[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 80338733 YJRWCBAWJJASPI-NVXWUHKLSA-N 315.486 3.594 0 40 DHAB CC(C)C[C@H](NCCc1cn2ccccc2n1)c1ccccn1 89821044 FLQIYKYCGCIGPD-SFHVURJKSA-N 308.429 3.649 0 40 DHAB OC1CCC(N[C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 90800061 BQCIMKOXTUIYCS-TVPLGVNVSA-N 315.457 3.672 0 40 DHAB CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccc(OC)c1 95116603 PKSDGAPCVHDDPY-MRXNPFEDSA-N 314.410 3.844 0 40 DHAB CCC(CC)c1cc(C(=O)N(C)C2CCC(OC)CC2)on1 96422368 ZKDAOPMCGKGHGM-UHFFFAOYSA-N 308.422 3.608 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1cccc2ccccc12 100171847 ATEILRMMIZTFGE-DFEHZGFQSA-N 303.361 3.541 0 40 DHAB Cc1nc2cc3c(cc2n1CCOc1ccccc1)OCCCO3 101152472 BGDBOVFBENWUAE-UHFFFAOYSA-N 324.380 3.585 0 40 DHAB C/C(O)=C1/C(=O)N[C@]23CCCC[C@@H]2[C@H]1c1cc(Cl)ccc1O3 101530497 GPUFUHHFUPADPT-SACBGVIRSA-N 319.788 3.664 0 40 DHAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1ccccc1F 107323598 DKCVQELSOUAMGS-HBUWYVDXSA-N 318.436 3.513 0 40 DHAB C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 110597818 RKJBWLJWYPZXLQ-RFGFWPKPSA-N 323.383 3.532 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 195530391 OOARVRYCQMGAJW-NYFKNOIKSA-N 319.470 3.863 0 40 DHAB O=C(CCSc1ccccc1)NCCOCc1ccccc1 223416972 BKXIBRCTOSISPV-UHFFFAOYSA-N 315.438 3.502 0 40 DHAB Cc1ccccc1CSCCNC(=O)Cc1ccc(F)cc1 224610668 SQKDCLWSCWPRRQ-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB CCOc1cccc(NC(=S)NCc2ccc(C)cc2)c1 225311301 VLLSUUYABLJRMO-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CCC[C@H](C)NC(=S)Nc1ccc(C(=O)OCC)cc1C 225383151 RCLYZCGVNZYESA-LBPRGKRZSA-N 308.447 3.647 0 40 DHAB CCc1cccc(C(=O)[C@H](Br)CBr)c1 382739222 YRCDFQGPFGJTPJ-SNVBAGLBSA-N 320.024 3.590 0 40 DHAB COc1ccc(-c2ccc(OC(=O)c3cccc(F)c3)nn2)cc1 408532422 YBAZQHVOYOXHCC-UHFFFAOYSA-N 324.311 3.511 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)NC1CCC(F)(F)CC1 535633570 LSCCPHOVOOVXML-UHFFFAOYSA-N 321.289 3.942 0 40 DHAB c1csc(-c2n[nH]cc2NC2CCC3(CCOCC3)CC2)n1 565990138 FAJHXVPXBXPBJF-UHFFFAOYSA-N 318.446 3.685 0 40 DHAB CCc1oc(C(=O)O)cc1CN(C)[C@@H]1CCc2ccccc2C1 572609464 QPHZQKHRWGVTCG-MRXNPFEDSA-N 313.397 3.530 0 40 DHAB O=C1CCC[C@H](CSc2nnc3sc4ccccc4n23)C1 585119119 SCPWVSBPCLZZSK-JTQLQIEISA-N 317.439 3.795 0 40 DHAB S=c1c2ccccc2nc2n(Cc3ccccc3)c(S)nn12 1889205641 GEQLEAIGHATRHM-UHFFFAOYSA-N 324.434 3.750 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1ccc(Cl)cc1Cl 342046 XXZSOSBYHJPFQU-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB Cc1cc(C)n(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1 426676 GCRBIVLKNRBOAR-UHFFFAOYSA-N 308.263 3.558 0 40 DHAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)n1 795353 JKKFJVQOEGEDGA-UHFFFAOYSA-N 311.168 3.714 0 40 DHAB CC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 807247 FJWMGEOEGQZUKG-KBPBESRZSA-N 312.413 3.633 0 40 DHAB CC(C)CC(CC(C)C)NC[C@@H](C)OC(=O)c1ccc(N)cc1 1841831 RTUNRXVTBHWXIR-OAHLLOKOSA-N 320.477 3.865 0 40 DHAB COc1ccc(C)cc1NC(=O)c1ccccc1OC(F)F 3326268 XZNWBYALNMQMAC-UHFFFAOYSA-N 307.296 3.857 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(F)cc2)c1C 4564071 CSRFJVBJCWTRHM-UHFFFAOYSA-N 305.374 3.948 0 40 DHAB Oc1cccc(-c2nc3ncccn3c2Nc2ccccc2)c1 4734314 IWVGWGAHNNXVHN-UHFFFAOYSA-N 302.337 3.846 0 40 DHAB C[C@H](CN(C)C)CN1c2ccccc2CCc2cc(O)ccc21 5141521 FQJSSUOYVSEYPF-OAHLLOKOSA-N 310.441 3.827 0 40 DHAB in-vitro CCOc1ccc(-c2nnc(S[C@H]3CCCCC3=O)o2)cc1 5169723 RVLIEIKGLYEFLQ-AWEZNQCLSA-N 318.398 3.739 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(C)cc2)c1 6507814 JGCRGIXNZKBPJX-UHFFFAOYSA-N 314.410 3.684 0 40 DHAB CCOC(=O)c1oc2ccccc2c1CSc1nncs1 7194555 GEVCHNUXDDNAHN-UHFFFAOYSA-N 320.395 3.753 0 40 DHAB Cc1ccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)c(C)c1 7212507 URUWOJRJCNRCDZ-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 7608571 NGEQCBWVPGLJQZ-UHFFFAOYSA-N 305.299 3.904 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1cccs1 8341501 HUDZRHJLCSDUEI-AWEZNQCLSA-N 304.415 3.649 0 40 DHAB Cc1c(Cl)c(COC(=O)c2ccccn2)nc2ccccc12 8447255 XHYVWNYUVZHECK-UHFFFAOYSA-N 312.756 3.949 0 40 DHAB CCOc1ccc2nc(C)c(CN3CCC[C@H](C)C3)c(O)c2c1 8713987 UQPLCFSKTZPBLJ-ZDUSSCGKSA-N 314.429 3.879 0 40 DHAB Fc1ccc2ncn3c(Cc4ccc(Cl)cc4)nnc3c2c1 9486110 RFOZRWFIVQMRLF-UHFFFAOYSA-N 312.735 3.661 0 40 DHAB Cc1c(C(=O)NCc2ccccc2)oc2c1[C@H](O)CC(C)(C)C2 9576323 NVUXIDXLYKQKLR-CQSZACIVSA-N 313.397 3.524 0 40 DHAB COc1ccccc1OCCNC(=O)Nc1ccc(C)c(C)c1 9875113 IENNRJQNNITLKI-UHFFFAOYSA-N 314.385 3.513 0 40 DHAB CCSc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 11689741 ARVVFOQIJZMSRA-UHFFFAOYSA-N 315.394 3.822 0 40 DHAB Cc1cc2cc(C(=O)NC[C@H]3CCCN(C(C)C)C3)ccc2o1 12199534 PXINLEZIVHZVAH-OAHLLOKOSA-N 314.429 3.591 0 40 DHAB C[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 12900261 BGRGOKOVTSEWIK-NWDGAFQWSA-N 322.861 3.757 0 40 DHAB O=C(Cc1ccccc1Cl)Nc1cc(Cl)ccc1C(=O)O 13186196 YCCUUNMZYIOOJM-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB CC(C)[C@H]1O[C@H](COc2ccccc2)CN1Cc1ccco1 13897090 KWCVCDXOLNZGNY-ZWKOTPCHSA-N 301.386 3.542 0 40 DHAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccco1 15835404 FDXWYCMYMKSHDR-UHFFFAOYSA-N 308.362 3.766 0 40 DHAB Clc1ccc2c(c1)c1ccccc1n2CN1CCOCC1 19313180 HQIBBCCIYYTFRJ-UHFFFAOYSA-N 300.789 3.738 0 40 DHAB COc1cc2c(cc1CN1[C@H]3CC[C@@H]1c1cccnc1C3)CCC2 19550506 QIAIKVWDWZEBQT-FXAWDEMLSA-N 320.436 3.841 0 40 DHAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 21559658 HAVRDEZSFHBDDS-KRWDZBQOSA-N 324.424 3.710 0 40 DHAB O=C(Cc1cccs1)N[C@H](c1ccccc1)c1ccccn1 23996828 KYOJNXZZBUWKPW-GOSISDBHSA-N 308.406 3.591 0 40 DHAB CC(C)c1cc(NC(=O)CN2CCC[C@@H]2c2cccs2)on1 24232397 BILIQGANQGMWFA-CYBMUJFWSA-N 319.430 3.635 0 40 DHAB Cc1cc(Oc2ccc(Br)cc2)n2ncnc2c1 24985358 KMHQGKFOQBXZMM-UHFFFAOYSA-N 304.147 3.593 0 40 DHAB CONC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 25823258 IWPOMQLJEBNVCV-UHFFFAOYSA-N 310.275 3.740 0 40 DHAB COc1ccc2nc(C(=O)NC[C@@H](C)c3ccccc3)ccc2c1 26072214 SWYIKSYQMHZXLX-CQSZACIVSA-N 320.392 3.777 0 40 DHAB O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)C1CCC1 28573651 TWSRNOJPDHCHOA-UHFFFAOYSA-N 324.211 3.977 0 40 DHAB Cc1cnc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)s1 30579675 IDPMYLNMHQBCEW-UHFFFAOYSA-N 324.409 3.767 0 40 DHAB Cc1cccc(NC(=O)CSc2nnc(C(C)C)o2)c1C 32863499 PWXZAPFBWVWIAJ-UHFFFAOYSA-N 305.403 3.541 0 40 DHAB O=C(COC(c1ccccc1)c1ccccc1)NC1CCCC1 32897992 CBSZIUURYCAXCM-UHFFFAOYSA-N 309.409 3.851 0 40 DHAB CCc1noc(-c2ccccc2NC(=O)c2cccc(OC)c2)n1 33012687 ORXPUDFGQQSYIT-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB CCCNC(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccc(C)cc1 36395705 XYCGMCBKDQUHGV-VQIMIIECSA-N 310.441 3.589 0 40 DHAB COC(=O)c1ccc(OC)cc1OCc1cccc(Cl)c1 36719667 RKEAZRGXFNEUTP-UHFFFAOYSA-N 306.745 3.714 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c(C)c1 38696801 FDXFFRQRRLXUOL-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)c1 40150758 KYPNSWLWCKHQSC-MRXNPFEDSA-N 309.413 3.554 0 40 DHAB COc1ccc(C)cc1[C@@H](O)c1cccc(Br)c1 40264092 QTVDPNHSLJESTA-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB CC(=O)c1cccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 45957029 RLXIAWGTESLYDP-SUMWQHHRSA-N 318.417 3.606 0 40 DHAB CC(C)NC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1 47375219 HPJLCWOOBUWEJN-OUKQBFOZSA-N 323.396 3.868 0 40 DHAB O=C(Nc1ccc2ccccc2n1)c1ccc2c(c1)OCCCO2 52836802 CENXMLJTOSBKJG-UHFFFAOYSA-N 320.348 3.648 0 40 DHAB CCN(CC)Cc1ccc(C(=O)Nc2cc(F)ccc2C)o1 55544498 CUAOISFVRIDHMD-UHFFFAOYSA-N 304.365 3.821 0 40 DHAB Cc1cc(C)n(C(=O)c2sc(NC3CCCCC3)nc2C)n1 57352043 LAKIIBLWLRAOJW-UHFFFAOYSA-N 318.446 3.698 0 40 DHAB Cc1cc(NCCc2ccc(F)cc2)nc(-c2ccncc2)n1 60112784 BDKADLIADHEIFN-UHFFFAOYSA-N 308.360 3.641 0 40 DHAB COCc1ccccc1C(=O)NCCc1c[nH]c2cc(C)ccc12 69350143 BYIDFOJKUOTQLW-UHFFFAOYSA-N 322.408 3.595 0 40 DHAB CC(C)Oc1cc(C(=O)NCc2ccncc2)cc2occc12 71195360 AWWKFTDQOHCJBA-UHFFFAOYSA-N 310.353 3.545 0 40 DHAB CN(C)CCN(C(=O)Nc1ccccc1F)C1CCCCC1 75110581 VXHDFIIPHNFMIM-UHFFFAOYSA-N 307.413 3.554 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 75138341 PCIZHQXDLFXJQE-UHFFFAOYSA-N 305.284 3.567 0 40 DHAB O=C(Cc1cccnc1)NC1c2ccccc2Oc2ccccc21 79355316 ZIRRHSJTBKSKPU-UHFFFAOYSA-N 316.360 3.636 0 40 DHAB C[C@H](Nc1ncnc2[nH]ncc12)c1ccccc1C(F)(F)F 84660542 AHZXRBDUEDVWDW-QMMMGPOBSA-N 307.279 3.545 0 40 DHAB O=C1C[C@H](c2ccccc2)Cc2nc(Br)sc21 85389816 MYCZIXYSBXJDIW-SECBINFHSA-N 308.200 3.818 0 40 DHAB Cc1nnc([C@H](C)S(=O)(=O)c2cc(C(C)(C)C)ccc2C)o1 95393315 LTZFLIJCMIBXKK-NSHDSACASA-N 322.430 3.519 0 40 DHAB Cc1ccccc1Cc1nnc(CSc2ccccc2O)o1 95414698 VOLMRYUQPJBNCP-UHFFFAOYSA-N 312.394 3.967 0 40 DHAB Cc1cccc(C)c1NC(=O)CN[C@@H](C)Cc1ccsc1 95419323 JYLDHIHPOQQMMP-AWEZNQCLSA-N 302.443 3.524 0 40 DHAB CC[C@@H](NC(=O)CCCn1ccnc1C)c1ccc(F)cc1F 96414562 WHDJSIYQSLJKRR-MRXNPFEDSA-N 321.371 3.517 0 40 DHAB O[C@@H](C[C@@H]1CCCCCN1Cc1cscn1)c1ccco1 96468675 HFGVCZNETUBZOA-GJZGRUSLSA-N 306.431 3.604 0 40 DHAB O=c1[nH]c(-c2ccncc2)nc2sc3c(c12)CCCCCC3 96903272 QYYCMPMKLOCUIQ-UHFFFAOYSA-N 311.410 3.706 0 40 DHAB C[C@@H]1OCC[C@@H]1[S@@](=O)[C@@H](C)c1ccc(OC(F)(F)F)cc1 97021154 WXNXNMUEGAZUCA-DYFPCYEQSA-N 322.348 3.572 0 40 DHAB Cc1csc([C@H](C)CNC(=O)N[C@@H]2CCc3ccccc32)n1 97109749 KUBNIQFWEOJGBB-IAQYHMDHSA-N 315.442 3.542 0 40 DHAB CC(=O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 98210692 DLHZEHVGTRFRJK-SECBINFHSA-N 302.170 3.693 0 40 DHAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100100481 RCEYFYWIRNYBBS-GARXJVFOSA-N 309.409 3.912 0 40 DHAB O=C(NC[C@@H]1CCCN1c1ccccc1)Nc1cccs1 211120041 ONNQBHOVTWFHPR-AWEZNQCLSA-N 301.415 3.539 0 40 DHAB CCOc1ccc(CCC(=O)N2CCC(C)CC2)cc1OCC 216414995 XBSYSSWSUHHQGR-UHFFFAOYSA-N 319.445 3.675 0 40 DHAB CCCCOCc1cc(C(=O)N2CCC(C)CC2)ccc1OC 224440427 QYOCJPZJXWVGCT-UHFFFAOYSA-N 319.445 3.884 0 40 DHAB C[C@H]1CCCN(C(=O)CSCc2ccc(Cl)cc2F)C1 224978074 YNNPCILRZGIDNH-NSHDSACASA-N 315.841 3.971 0 40 DHAB COc1ccc(Cl)cc1C[C@H](Oc1ccccc1C)C(=O)O 225119734 SQXOWVPWFIWDOZ-INIZCTEOSA-N 320.772 3.732 0 40 DHAB O=C(Nc1ccn2nccc2c1)Nc1ccccc1C(F)(F)F 225596071 PLRAQIDRDKTFGS-UHFFFAOYSA-N 320.274 3.997 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1C 225599776 SLYWFDPWMVRQBP-INIZCTEOSA-N 321.417 3.872 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1Cl 226349706 USBZXJDYKJKEPS-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260786433 XAPLNVBISUDYAE-XOKHGSTOSA-N 309.438 3.979 0 40 DHAB CCc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccccc1 409198555 BYSZLMUDCUENMU-ZCXUNETKSA-N 312.394 3.650 0 40 DHAB Cc1csc2ncnc(NCc3ccnc(OC(F)F)c3)c12 505727928 VSSHFWSWTFMSGO-UHFFFAOYSA-N 322.340 3.608 0 40 DHAB CCN(Cc1nc(C(=O)O)co1)[C@H](C)c1cc2ccccc2o1 569370495 CULXUTBLTVJOGE-LLVKDONJSA-N 314.341 3.702 0 40 DHAB COc1ccc(C)cc1Nc1cc(C2CCOCC2)nc(C)n1 2086992564 VPYRUTWBMQOAHI-UHFFFAOYSA-N 313.401 3.740 0 40 DHAB CCOc1ccc2nc(Nc3nc(C)c(C)c(C)n3)nc(C)c2c1 69296 LQKJEATVLONWAK-UHFFFAOYSA-N 323.400 3.796 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1cc(Cl)ccc1Cl 342050 INFRSQHKEBNKFR-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB COc1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)c(OC)c1 817659 ZCJVPZOCWMEFCK-IBGZPJMESA-N 321.380 3.848 0 40 DHAB COC(=O)Nc1cn2ccc(C(Cl)=C(Cl)Cl)cc2n1 1570373 YVXFNLUFDCLPEI-UHFFFAOYSA-N 320.563 3.855 0 40 DHAB Clc1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 1573469 CLHNRFAGXJYUJA-UHFFFAOYSA-N 315.716 3.862 0 40 DHAB COc1ccc(/C=C/C(=O)OCCc2ccccc2)cc1OC 1642020 OHBFHJOQNCVEOU-PKNBQFBNSA-N 312.365 3.503 0 40 DHAB in-vitro O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(O)cc1 2404289 IWBITHZHSGKLPU-ZROIWOOFSA-N 315.325 3.772 0 40 DHAB CCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1 2797289 HRFBCRAAFBIOTO-HOTGVXAUSA-N 301.386 3.635 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)NCc1nc2ccccc2[nH]1 3069596 VNEZPCVZEQEQBB-JXMROGBWSA-N 311.772 3.546 0 40 DHAB CCCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 3151163 NSGNFWAKUDGARC-UHFFFAOYSA-N 319.426 3.975 0 40 DHAB CCOC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3440899 UCEVNSFOQCGUMN-UHFFFAOYSA-N 323.443 3.554 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)c2C)c1C 3482332 JFGPYIBRMCYWCZ-UHFFFAOYSA-N 314.385 3.677 0 40 DHAB CCOc1ccc(C(=O)NCc2ccccc2F)cc1OCC 6650076 UGGXZUCKOZPQOP-UHFFFAOYSA-N 317.360 3.553 0 40 DHAB Cc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 6811337 CEUAVPXLXOKQJA-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1cc2oc(C(=O)Nc3ccccc3F)cc(=O)c2cc1C 6811380 MYWOHWSTSXMUTB-UHFFFAOYSA-N 311.312 3.801 0 40 DHAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1 6919556 SYKSLKMZYBJTEA-UHFFFAOYSA-N 317.410 3.813 0 40 DHAB COc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1OC 7078156 XKANCGCFFCDPOF-INIZCTEOSA-N 319.426 3.892 0 40 DHAB CCOc1ccccc1N[C@@H](C(=O)NC1CC1)c1ccccc1 7370237 PFMAYPCBDNSINS-GOSISDBHSA-N 310.397 3.517 0 40 DHAB Cc1sc2nc([C@@H](C)N3C[C@@H](C)C[C@H](C)C3)[nH]c(=O)c2c1C 7738211 KOUMTNYUKLAYJE-JBLDHEPKSA-N 319.474 3.640 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1 10328206 VBJZIFQVVPNNAX-FQEVSTJZSA-N 318.420 3.873 0 40 DHAB COc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 10372386 AYMRHWHNFLKJRO-UHFFFAOYSA-N 310.397 3.543 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Cl 11636404 HZTPADIFLWUKKH-NSHDSACASA-N 305.761 3.755 0 40 DHAB CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 12531868 SWWDCDWUGUOIOG-SFHVURJKSA-N 319.408 3.502 0 40 DHAB C[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1cccc(Cl)c1 12545860 OBNRBYRQHFGOAV-VXGBXAGGSA-N 303.793 3.856 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 13056676 JUEDHDJGNFBYDF-VXGBXAGGSA-N 324.852 3.573 0 40 DHAB Cc1cnc(NC(=O)c2cc(Br)cs2)s1 13326167 OBHWBFYRRGVDHA-UHFFFAOYSA-N 303.206 3.528 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 13612780 FWEDKWYRPIDWQE-MRXNPFEDSA-N 311.381 3.727 0 40 DHAB CCNC(=O)c1cccc(NC(=O)c2cc3ccccc3s2)c1 14095575 QFTQPHDLWKODTQ-UHFFFAOYSA-N 324.405 3.903 0 40 DHAB COC(=O)c1ccc(Oc2ccc(Br)cc2N)cc1 14631018 QUCDPDYCTDAKDA-UHFFFAOYSA-N 322.158 3.610 0 40 DHAB Cc1cccc(N2C(=O)c3ccc(C(=O)C(C)C)cc3C2=O)c1 16349518 PVBUDTZEQWDBDZ-UHFFFAOYSA-N 307.349 3.634 0 40 DHAB CCCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(OC)c1 20136655 HOYRKWPPWMXCJY-UHFFFAOYSA-N 317.385 3.966 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 20456544 CYSQIKOQOBQLKT-DLBZAZTESA-N 311.425 3.900 0 40 DHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(-n2cccn2)cc1 21796528 GMUBJOCGLCSIBW-UHFFFAOYSA-N 317.270 3.542 0 40 DHAB c1cc(C23CC4CC(CC(C4)C2)C3)ccc1CN1CCOCC1 22027848 QTCOJSSFBJECIN-UHFFFAOYSA-N 311.469 3.987 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccccc2)c1 29077174 AMXBRIPLMNYCFM-UHFFFAOYSA-N 310.397 3.951 0 40 DHAB CC(C)c1noc(CCC(=O)N[C@H](c2cccs2)C(C)C)n1 30677241 AZOAISQICMGDQV-HNNXBMFYSA-N 321.446 3.701 0 40 DHAB CCc1ccccc1NC(=O)N1CCN(Cc2ccccc2)CC1 33892427 BGDGVHRCMFGFDG-UHFFFAOYSA-N 323.440 3.599 0 40 DHAB Cc1ccc(Cl)cc1Nc1nnc(-c2ccccc2)c(=O)[nH]1 36080472 BGHAFZJOLXZLBE-UHFFFAOYSA-N 312.760 3.537 0 40 DHAB C[C@@H](Cc1ccccc1Cl)NC(=O)[C@@]1(C)CC1(Cl)Cl 36393970 VPYGOURQJVQYOU-TVQRCGJNSA-N 320.647 3.971 0 40 DHAB COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cn1 37868428 GADDVMQUQBTNDA-UHFFFAOYSA-N 318.376 3.938 0 40 DHAB Cc1cc(NC(=O)CCCc2nc3ccccc3s2)no1 40467586 BYDPBAPUEALKGF-UHFFFAOYSA-N 301.371 3.554 0 40 DHAB Cc1nc(C)c(CC(=O)Nc2nc3ccccc3s2)s1 44449854 MEMQWAWZEZTWEK-UHFFFAOYSA-N 303.412 3.551 0 40 DHAB C[C@H](CCc1ccco1)NC(=O)N[C@H](C)c1ccccc1F 45035712 NIOCEVIHHDLKEQ-CHWSQXEVSA-N 304.365 3.800 0 40 DHAB COc1ccccc1/C=C/C(=O)NCCSC1CCCC1 46450276 IVKDYSDJPJVDIX-ZHACJKMWSA-N 305.443 3.500 0 40 DHAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3)C2)o1 49170515 UTXKFSVEIGOLMF-HNNXBMFYSA-N 323.371 3.865 0 40 DHAB biogenic,in-vitro CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3s1)C2 54125400 YTNRGUSKQNOWTG-UHFFFAOYSA-N 323.421 3.817 0 40 DHAB O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2ccc(F)cc2)CC1 58281771 NNHQNTSPMZWWQM-UHFFFAOYSA-N 321.783 3.524 0 40 DHAB OC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 63001579 FDEJYFGUMRKRRJ-LBPRGKRZSA-N 316.710 3.899 0 40 DHAB Cc1nccn1[C@H]1CCCN(C(=O)c2sccc2C2CC2)C1 69870760 VKGKSUHRKULBEZ-AWEZNQCLSA-N 315.442 3.608 0 40 DHAB Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2)c(N)c1 70462887 FATAYLCQLCDZRG-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1noc(C)c1NC(=O)C(C)(C)Oc1cccc(Cl)c1 71902868 VHMZVGCKZKRCKC-UHFFFAOYSA-N 308.765 3.741 0 40 DHAB Cc1cncc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)c1 72298557 DNMZWJPFWCSWQF-AWEZNQCLSA-N 301.415 3.522 0 40 DHAB C[C@@H](NC(=O)c1cccnc1)c1ccc(-c2ccncc2)cc1 74296516 LKDWQINIMJFLEE-CQSZACIVSA-N 303.365 3.635 0 40 DHAB CCCNc1nnc(SCCN(C)c2ccccc2)s1 75109705 CXCKIIJHTSADOS-UHFFFAOYSA-N 308.476 3.589 0 40 DHAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)c2cnc[nH]2)n1 76044544 LQUBKGHSGCNJAM-LBPRGKRZSA-N 318.446 3.531 0 40 DHAB CC(C)C(=O)N1CC[C@H](N[C@@H](C)c2cc(F)ccc2F)[C@@H](C)C1 76056440 AESHEFFZZCIMHS-DCGLDWPTSA-N 324.415 3.508 0 40 DHAB CCN(CC)[C@H](CNCc1cccnc1)c1ccccc1Cl 78421761 AEMXXLKXRRNAPV-GOSISDBHSA-N 317.864 3.908 0 40 DHAB C[C@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1cnn(C)c1 83734605 HXYVHDYVRCTCRM-AWEZNQCLSA-N 324.428 3.523 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cc1 85436435 AJLZCMWWJOLKSN-GOSISDBHSA-N 311.425 3.838 0 40 DHAB Nc1nc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2s1 87848626 NSPNOIISOHHJCI-UHFFFAOYSA-N 318.785 3.889 0 40 DHAB FC(F)Cn1cc(NCc2ccc(Cl)c3cccnc23)cn1 89807729 QULSFGNKAWETBI-UHFFFAOYSA-N 322.746 3.962 0 40 DHAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1c1cccc2ccccc12 89873241 HFMFSRHSJNMGKP-CQSZACIVSA-N 319.364 3.621 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c1 96433180 OMGVBOIOLGBHAI-BZNIZROVSA-N 314.385 3.732 0 40 DHAB CCO[C@H](C)c1nc(CN2CCS[C@@H](CC)C2)cs1 96441717 WHGHSJUVDVVJQZ-YPMHNXCESA-N 300.493 3.568 0 40 DHAB CCn1cc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)cn1 96447563 YWVHRZBLODWUDU-HNNXBMFYSA-N 306.413 3.816 0 40 DHAB Cc1ncc([C@H](C)Nc2cccc(Cn3cccn3)c2)c(C)n1 97037325 JWAFZILZZQMTMP-AWEZNQCLSA-N 307.401 3.511 0 40 DHAB Cc1nc(-c2cccc(N[C@@H](C)CSCC(C)C)c2)n[nH]1 97038176 ZUQMFCRLNYMHQA-LBPRGKRZSA-N 304.463 3.970 0 40 DHAB Cc1ccc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)cc1 100209652 PQZLDQUQGNVXOI-KHPPLWFESA-N 311.776 3.707 0 40 DHAB C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2ccnc2)cc1 104816829 CMQNREIZXHEGOQ-LAQRGFTBSA-N 323.440 3.876 0 40 DHAB Cc1cc(CC(=O)N(CC2CCCCC2)c2ccccn2)no1 179285799 JMBJQFQLSDUMDG-UHFFFAOYSA-N 313.401 3.534 0 40 DHAB O=C(c1ccno1)N1CCS[C@@H](c2ccccc2Cl)CC1 206990272 SDTHXRYWLWAQDA-CQSZACIVSA-N 322.817 3.648 0 40 DHAB CCCCCNC(=O)c1ccc(OCC)c(COCCC)c1 224710057 DFNJXXQFVGQUJQ-UHFFFAOYSA-N 307.434 3.932 0 40 DHAB CC[C@H](C(=O)NCCc1ccc(C(C)=O)s1)c1ccccc1 225670671 PJCYIFOVNSHYLZ-INIZCTEOSA-N 315.438 3.803 0 40 DHAB O=C(NCc1ccc(-c2cccnc2)nc1)Nc1cccs1 225766174 WQDFSLUMVVMHLI-UHFFFAOYSA-N 310.382 3.527 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4cnccn4)C3)ccc2o1 257314456 UXBSQQKFMCVASR-OAHLLOKOSA-N 321.380 3.551 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Sc1nnc(-c2ccco2)o1 408530546 MDEKOIPAHZIFPX-UHFFFAOYSA-N 320.757 3.844 0 40 DHAB Cc1ccccc1CCC(=O)NCc1cncc(-c2ccoc2)c1 575619833 GMRPYXYEUBEYIG-UHFFFAOYSA-N 320.392 3.899 0 40 DHAB Oc1cc(CN2CCC(c3cccc4[nH]ccc34)CC2)ccn1 1553875836 UBGFYDFYVLLIQB-UHFFFAOYSA-N 307.397 3.648 0 40 DHAB CCCn1c(SCc2ccccc2)nc2cc(C)[nH]c2c1=O 1889046129 CIIRVVITSNWIRC-UHFFFAOYSA-N 313.426 3.735 0 40 DHAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCC2 38699 PZJBMLYFCSPTSA-UHFFFAOYSA-N 315.394 3.584 0 40 DHAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccccc1F 417787 JGDYLQNDQNNDSC-UHFFFAOYSA-N 314.341 3.851 0 40 DHAB O=C(Oc1ccc2ccc(=O)oc2c1)c1ccccc1Cl 575958 BPIRKIIXPRIOIS-UHFFFAOYSA-N 300.697 3.666 0 40 DHAB biogenic S=C(Nc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCO2 610842 XDAYHGJMSNWXKR-UHFFFAOYSA-N 312.394 3.713 0 40 DHAB CC(=O)c1ccc2c(c1)C[C@]1(C2)Cc2cc3c(cc2C1=O)CCC3 1855408 QBEZZQQNWXIICM-JOCHJYFZSA-N 316.400 3.902 0 40 DHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC(C)CC1 2624420 UBQRGLZNVLIMRZ-SFHVURJKSA-N 319.489 3.764 0 40 DHAB COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 2631517 CXSNUDZOFHSGQT-UHFFFAOYSA-N 315.800 3.697 0 40 DHAB COc1ccc([C@@H](C)n2c(=S)[nH]c3ccccc3c2=O)cc1 2790938 JPAFZNBWVKXGHN-LLVKDONJSA-N 312.394 3.677 0 40 DHAB CN(C)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S 3287052 FLNLLPBUXDRIEM-UHFFFAOYSA-N 310.426 3.589 0 40 DHAB CSc1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 3608053 UYNKQUOFNAUPEE-UHFFFAOYSA-N 313.422 3.915 0 40 DHAB Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc(F)cc2)c1 3617078 FCIXDRMGYXDSCO-UHFFFAOYSA-N 300.377 3.513 0 40 DHAB CSc1nc(-c2ccco2)nn1C(=O)/C=C/c1ccccc1 4682019 FSEHRTHAMWXCTG-MDZDMXLPSA-N 311.366 3.614 0 40 DHAB COc1ccc(C(=O)Oc2cc(C)ccc2Cl)cc1OC 5611570 YSKGWFVCVBJCMY-UHFFFAOYSA-N 306.745 3.885 0 40 DHAB O=c1oc2ccccc2cc1C1=NN[C@@H](c2ccccc2Cl)C1 5704904 NOSNEEQJMYUKIZ-OAHLLOKOSA-N 324.767 3.885 0 40 DHAB Cc1ccccc1C(=O)NCCOc1cccc2ccccc12 5815668 DYIYHOQPUNUEGD-UHFFFAOYSA-N 305.377 3.957 0 40 DHAB Cc1cccc2nc(C(=O)OCc3c(F)cccc3Cl)cn12 5983147 OYRISUDIYBVOBD-UHFFFAOYSA-N 318.735 3.792 0 40 DHAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(F)c3)c2O1 6152403 NUSDXQGELLCWGH-UHFFFAOYSA-N 315.344 3.557 0 40 DHAB CCc1cccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 6304293 RWOPMFYVQFQFSY-UHFFFAOYSA-N 312.394 3.546 0 40 DHAB COc1cccc(CC(=O)N[C@H]2CCSc3ccccc32)c1 7814062 SOICPSGIJASMGR-INIZCTEOSA-N 313.422 3.591 0 40 DHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)cc1F 7878313 UXNGIKIZYQXPEG-SNVBAGLBSA-N 322.380 3.584 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cc(Cl)c2c(c1)OCO2 7986948 CSDGQRJMMHAEIV-UHFFFAOYSA-N 315.756 3.810 0 40 DHAB COc1cccc(CNC(=O)Cc2ccc(Cl)cc2Cl)c1 8379269 SOBRHPWEQDZCCS-UHFFFAOYSA-N 324.207 3.861 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccccc1 8478199 FFRVDWTUUOMBAT-ZBFHGGJFSA-N 313.397 3.730 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1 8735789 QMRYDVJUZRLSHK-UHFFFAOYSA-N 318.420 3.949 0 40 DHAB CC(C)c1csc(NC(=O)/C=C/c2cnc3ccccc3n2)n1 8750288 QQCGVWICJQNUII-BQYQJAHWSA-N 324.409 3.862 0 40 DHAB COc1cccc(CNC(=O)c2nc(-c3ccccc3)oc2C)c1 9112899 WXCOKTZWVHARKX-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2nccnc2c1 9478677 GUDIGJUSEHAIPH-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB CCC[C@H](C)NC(=O)Cc1csc(-c2ccc(F)cc2)n1 9645555 NHOUSVUWBZAOEU-NSHDSACASA-N 306.406 3.797 0 40 DHAB CCCn1c(NC(=O)c2n[nH]c3ccccc23)nc2ccccc21 10652914 RQXWFBKOHGHJOZ-UHFFFAOYSA-N 319.368 3.575 0 40 DHAB Cc1ccc(C(=O)OCCOc2ccccc2Cl)cc1O 10980188 OEYUKBKFRYAYFP-UHFFFAOYSA-N 306.745 3.590 0 40 DHAB Cc1c(C(=O)NCCc2nc3ccccc3[nH]2)oc2ccccc12 12822758 WPSLKUVZCUFRRL-UHFFFAOYSA-N 319.364 3.590 0 40 DHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)o1 12868096 FLWJVTNUVQIXHS-AWEZNQCLSA-N 300.354 3.941 0 40 DHAB O=C(O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 13166471 HXQGRDWCPRKARM-UHFFFAOYSA-N 309.243 3.656 0 40 DHAB C[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 14203694 GBFOUHLOTMWMGM-NSHDSACASA-N 324.302 3.514 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(N)cc2)cc1 17052758 FQGGCNOLUHUXBQ-LBPRGKRZSA-N 314.410 3.591 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)c(Cl)c1 20139401 QKHRCOKVERDOJK-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 21325705 BUOZDPZARVPESJ-GFCCVEGCSA-N 309.818 3.688 0 40 DHAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 21904405 QEIWRVWHOLKXND-UHFFFAOYSA-N 310.180 3.802 0 40 DHAB Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)c(C)c1 24176691 JRBBRLMWMGDHBB-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 24230890 VXMJFDBAYLKALZ-KBRIMQKVSA-N 315.413 3.562 0 40 DHAB O[C@@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 25055327 PZSFKLOHQYSULE-AWEZNQCLSA-N 324.277 3.928 0 40 DHAB COc1ccccc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 25238383 PQBDELZQYBDSAY-MNOVXSKESA-N 316.323 3.938 0 40 DHAB Cc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)on1 26364965 YJAQGFPQJSFQDI-UHFFFAOYSA-N 321.308 3.637 0 40 DHAB Cc1cc2nc(Sc3nc(C)c(C)o3)c3ccccc3n2n1 26700970 OCICTZROIRCIDV-UHFFFAOYSA-N 310.382 3.947 0 40 DHAB Cn1ccnc1[C@H](NCc1ccc(Cl)cc1)c1ccccc1 30643017 KDAHJPBBYZCYMH-QGZVFWFLSA-N 311.816 3.953 0 40 DHAB COc1ccc2cc(C(=O)N[C@@H](C)CCc3ccccc3)[nH]c2c1 32755477 XETGCWLCFHTIKF-AWEZNQCLSA-N 322.408 3.928 0 40 DHAB Cc1ccccc1[C@@H](C)NCc1ccc(-n2cncn2)c(F)c1 32900919 ARIJHOMXFVDGHR-CQSZACIVSA-N 310.376 3.566 0 40 DHAB COc1ccc(-n2c3c(c(C(F)(F)F)cc2=O)CCCC3)cc1 36613090 GCUZLHPKYHBQBZ-UHFFFAOYSA-N 323.314 3.744 0 40 DHAB Cc1ccc(-n2nc(C)cc2NC(=O)Cc2ccc(F)cc2)cc1 40023527 DRTIHWVTGXIRGZ-UHFFFAOYSA-N 323.371 3.809 0 40 DHAB O=C(CCc1ccco1)NCCc1ccc(C(F)(F)F)cc1 40159473 ODOBBIDCDQBXLQ-UHFFFAOYSA-N 311.303 3.590 0 40 DHAB O[C@@]12CCCC[C@@H]1[C@H](c1c(Cl)cccc1Cl)NCC2 43737534 ADCRKOWUVHTZCP-VCTAVGKDSA-N 300.229 3.949 0 40 DHAB biogenic Cn1c([C@@H]2CCCCN2C(=O)C[C@@H]2C=CCC2)nc2ccccc21 54666732 DQTDIPIOMVOPFT-QAPCUYQASA-N 323.440 3.983 0 40 DHAB O=[S@@](Cc1cccc(F)c1)Cc1coc(-c2cccs2)n1 69487609 VCNMOFDWOMKRNO-OAQYLSRUSA-N 321.398 3.991 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1O 71792664 XYUNAMBNNOWACF-LBPRGKRZSA-N 303.789 3.808 0 40 DHAB c1ccc2[nH]c(C3CCN(Cc4nc(C5CC5)no4)CC3)cc2c1 71841189 VGRJBYCFJIQXIZ-UHFFFAOYSA-N 322.412 3.808 0 40 DHAB CN(C)c1cc(C(F)(F)F)cc(-c2ccccc2C(=O)O)n1 71873575 NUIWPSFHKQTWEJ-UHFFFAOYSA-N 310.275 3.532 0 40 DHAB CCOC(=O)c1cc(C(C)=O)ccc1OCc1cccc(F)c1 85397454 VCGZIGGEWQISMM-UHFFFAOYSA-N 316.328 3.784 0 40 DHAB C[C@@H]1OCC[C@H]1NCc1ccccc1-c1ccc(CN(C)C)cc1 95431675 SYGSCHKZLMANNY-HRAATJIYSA-N 324.468 3.682 0 40 DHAB CCOC(=O)c1c(-c2ccc(C)cc2)c2ccccc2[nH]c1=O 95946178 KOQXAKXUFKENTC-UHFFFAOYSA-N 307.349 3.680 0 40 DHAB Cc1nnc2ccc(N[C@H]3c4ccccc4CCC3(C)C)nn12 95973100 UCDDPCQCIYJFIT-KRWDZBQOSA-N 307.401 3.558 0 40 DHAB CSc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 100806823 QGQWRMMYHVEXII-LGBHXNNWSA-N 317.454 3.678 0 40 DHAB CC1CC(=O)C(CC(=O)c2ccc(Cl)cc2Cl)C(=O)C1 100945471 UNYUFZQCWLSEGQ-UHFFFAOYSA-N 313.180 3.751 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCc2[nH]c3ccccc3c2C1 103442435 ITPNFJNHVPMSOU-SOUVJXGZSA-N 308.425 3.879 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CNC1CCCCC1)C2 104489319 BLSUEDKUVBIVGS-MJKGWSOKSA-N 323.521 3.891 0 40 DHAB CC[C@@H](C(=O)NC[C@H](OC)c1cccc(F)c1)c1ccccc1 208000292 ORBOWHDLKYDHEZ-MSOLQXFVSA-N 315.388 3.823 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)NCc1cccc2ccccc12 222876917 ZBHYMEQARDMEOW-OAHLLOKOSA-N 305.377 3.924 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)NCCOc1ccccc1Cl 223378444 SGZREYKVKGQOEJ-JXMROGBWSA-N 319.763 3.688 0 40 DHAB CCN(CCCNC(=O)c1cc(C)ccc1C)c1ccccc1 225054245 JERBJGGMFYROJL-UHFFFAOYSA-N 310.441 3.950 0 40 DHAB CCN(CC)C(=O)CCc1nc(-c2cccc3ccccc23)no1 225829231 HWPWCXJZSYBINK-UHFFFAOYSA-N 323.396 3.691 0 40 DHAB Cc1ccc(OCC(=O)Nc2cc(Cl)c(C)cc2N)c(C)c1 226358963 OLOGXLVPRUSYID-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB C[C@@H]1C[C@H](OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)CC(C)(C)C1 245253798 FWSHCMODWGVIGW-ZBRFXRBCSA-N 311.510 3.842 0 40 DHAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 248084139 AXBXJEBMMWIAMQ-MOPGFXCFSA-N 312.482 3.596 0 40 DHAB Cc1c(F)ccc2sc(NC(=O)[C@H]3CCC(C)(C)O3)nc12 331833676 YMSRDSTYDCNAID-SNVBAGLBSA-N 308.378 3.640 0 40 DHAB COc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1OC 408578532 YLYFGGIATOBDQF-UHFFFAOYSA-N 321.829 3.823 0 40 DHAB CCc1cc2c(=O)n(CC(=O)C(C)(C)c3ccccc3)ccc2o1 577279688 FKTUCMAGPBCQDH-UHFFFAOYSA-N 323.392 3.704 0 40 DHAB Cc1nc2cc(-c3ccccc3)nn2c(N)c1-c1ccccc1 51621 ZRBHAIVYEWXKTM-UHFFFAOYSA-N 300.365 3.954 0 40 DHAB COc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 156316 AGSDSKNRZAXANN-UHFFFAOYSA-N 314.772 3.760 0 40 DHAB CC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C 200845 VFMYXCKYAQBRSN-HNNXBMFYSA-N 321.424 3.899 0 40 DHAB O=S(=O)(Cc1ccccc1)Nc1cc(Cl)ccc1Cl 304071 NNLUGEZFTNIXCB-UHFFFAOYSA-N 316.209 3.935 0 40 DHAB CCOC(=O)[C@H]1C=C(c2ccccc2)C=CN=C1N(CC)CC 343275 VHBIZFWKROPEBX-KRWDZBQOSA-N 312.413 3.517 0 40 DHAB CN1CCC(=C2c3ccccc3C[C@@H](O)c3sccc32)CC1 347408 TZHJFZBFWVCFAA-QGZVFWFLSA-N 311.450 3.865 0 40 DHAB CCOc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1 524875 FBJGXRPRGDTJRJ-UHFFFAOYSA-N 312.354 3.512 0 40 DHAB O=C1N=C(N2CCCCC2)S/C1=C/c1c[nH]c2ccccc12 1414826 FMZRGNRXDRKBKI-XNTDXEJSSA-N 311.410 3.624 0 40 DHAB CC(C)CC[C@]1(CCN2C(=O)CCC2=O)CCOC(C)(C)C1 2112075 CEHGAKFXTIQVPW-SFHVURJKSA-N 309.450 3.537 0 40 DHAB biogenic Cc1ccc(C)c(C(=O)CSc2nc(C)c(C)c(C)n2)c1 2628924 SZZGULVFQPOXPF-UHFFFAOYSA-N 300.427 3.994 0 40 DHAB COc1cc(C=O)ccc1Oc1ncnc2c1oc1ccccc12 3258368 DRJGSYGMCQTGIW-UHFFFAOYSA-N 320.304 3.989 0 40 DHAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1OC(F)F 3311819 RHWKWYVSASCKIM-UHFFFAOYSA-N 319.307 3.890 0 40 DHAB CCOc1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1 3411522 JBZLHQAJUBIDMK-UHFFFAOYSA-N 320.392 3.906 0 40 DHAB CS(=O)(=O)c1ccc(-c2csc(-c3ccccc3)n2)cc1 4089704 UFFMPOBELCJXBQ-UHFFFAOYSA-N 315.419 3.881 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 5062704 OJUKBPPQHZXQTH-YOEHRIQHSA-N 317.429 3.743 0 40 DHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccncc1 5336493 POXSDHZTJKNAAM-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB Cc1ccc(-c2nnc([C@H](c3ccccc3)n3ccnc3)o2)cc1 5530136 VIIPWUUMTOEXTC-KRWDZBQOSA-N 316.364 3.879 0 40 DHAB O=[S@@](c1snnc1-c1ccc(F)cc1)C1CCCCC1 5675730 HGMBOPNVFQMMEJ-FQEVSTJZSA-N 310.419 3.785 0 40 DHAB C#CCn1cc(/C=C2/SC(=O)N(CCC)C2=O)c2ccccc21 6629583 FMZNSQVCKFYMOE-LFIBNONCSA-N 324.405 3.721 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1F 8041374 NAVRUZBQWGTVAT-CQSZACIVSA-N 309.287 3.900 0 40 DHAB CCOc1ccc(CNCCc2ccc(F)cc2)cc1OCC 8324876 CALOKVYYBVQLDC-UHFFFAOYSA-N 317.404 3.955 0 40 DHAB O=C(Nc1ccc2ccccc2c1)c1ncn(-c2ccccc2)n1 8715347 PPWHGPBFCUUHIJ-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccccc3)ccc21 9137762 DZKBMXBIJFWCAZ-UHFFFAOYSA-N 322.408 3.874 0 40 DHAB Cc1ccc2cc(-c3noc(-c4ccccc4F)n3)c(=O)[nH]c2c1 9215992 YYXUOGKSVJZPEM-UHFFFAOYSA-N 321.311 3.693 0 40 DHAB Cc1c(C)n(CC(C)C)c2ncnc(NCc3ccccn3)c12 9423271 JAYGCCBSGHPLJE-UHFFFAOYSA-N 309.417 3.711 0 40 DHAB Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4)n3)cc2c1 9593209 XHGQUMUZDFRNCB-UHFFFAOYSA-N 303.321 3.554 0 40 DHAB Cc1nn(C)cc1CN(C)C(=O)c1ccc(-c2ccccc2)cc1 12065038 WJBNTNWJCFEVKQ-UHFFFAOYSA-N 319.408 3.668 0 40 DHAB c1cncc(-c2nccc(CN3CCC[C@@H]4CCCC[C@@H]43)n2)c1 12670935 QOPIFIMHBKCQAS-YJBOKZPZSA-N 308.429 3.693 0 40 DHAB COc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2 12918305 NRNIUEYTOPDSBG-UHFFFAOYSA-N 302.399 3.673 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)c3ccc(C(C)C)cc3)ccc21 12974278 FVBQFFUTONEUOV-UHFFFAOYSA-N 322.408 3.971 0 40 DHAB CCCC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694898 QNKXMBGRUJCIAW-UHFFFAOYSA-N 314.410 3.690 0 40 DHAB COc1cccc(CC(=O)N2CCCSc3ccccc32)c1 14244429 DWCHWTDZRPAJLB-UHFFFAOYSA-N 313.422 3.767 0 40 DHAB CCCCC(=O)NC(=S)Nc1nc2c(C)cc(C)cc2s1 14257666 ZOEUQFXEBXPHSF-UHFFFAOYSA-N 321.471 3.916 0 40 DHAB O=c1[nH]c(SCc2ccc(Cl)cc2)nc2ccsc12 15986865 GJPCWHPIEKIIRL-UHFFFAOYSA-N 308.815 3.930 0 40 DHAB CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 19209307 NHQZFHJIZFEXBG-UHFFFAOYSA-N 323.179 3.605 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCc2ccccc21 24833795 WHGYAIUGKNBWOM-LJQANCHMSA-N 318.420 3.947 0 40 DHAB CCOc1ccc(C(=O)NCCc2cccs2)cc1OCC 25695967 LHGBIOMYVRDFQR-UHFFFAOYSA-N 319.426 3.518 0 40 DHAB Cc1ccc(C(=O)C2CCN(Cc3cccnc3)CC2)c(C)c1 26646815 ICCURRDYPQMXSO-UHFFFAOYSA-N 308.425 3.793 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](C)c1ccccc1 26754552 DZTOLFTWRJJYKS-UONOGXRCSA-N 301.361 3.513 0 40 DHAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1 28236187 NCOMBJKVGLOBSS-UHFFFAOYSA-N 323.318 3.808 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 28539816 MCIGUVGUUUTMRH-UHFFFAOYSA-N 323.249 3.973 0 40 DHAB O=C(Nc1cccc(Cl)c1F)[C@@H]1CC(c2ccccc2)=NO1 33155729 SZHKCLPPIFYHDN-AWEZNQCLSA-N 318.735 3.611 0 40 DHAB O=C(Nc1nccs1)c1c(-n2cccc2)sc2c1CCC2 36354524 MVQMUZUAJXGRJJ-UHFFFAOYSA-N 315.423 3.736 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)Nc1cccs1 38489766 LAQMVDIZGBYGLJ-UHFFFAOYSA-N 301.371 3.519 0 40 DHAB COc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1OC 40097635 HVINIDMEOGGTTR-CYBMUJFWSA-N 314.385 3.629 0 40 DHAB CCCCS(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 46704942 KBTJOTBWXRYEPL-VIFPVBQESA-N 310.246 3.774 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)NC2CC(C)(C)NC(C)(C)C2)C1(C)C 48311013 XOJFICJMISYQQV-HUUCEWRRSA-N 306.494 3.650 0 40 DHAB CC(=O)Nc1cccc(CNCc2ccc(OC(C)C)cc2)c1 48712803 ZICIDDFIUJRDJF-UHFFFAOYSA-N 312.413 3.722 0 40 DHAB CC1(C)CC(NC(=O)N2CCC[C@H]2C2CCCC2)CC(C)(C)N1 56780742 AIXYSLNJALKDPX-INIZCTEOSA-N 321.509 3.660 0 40 DHAB Cc1nc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cs1 69354315 KLCUOZYJLKVPKO-OAHLLOKOSA-N 301.415 3.604 0 40 DHAB FC(F)(F)Cn1ccnc1CSc1nncc2ccccc12 69527688 FLFOXAMNVSTOAF-UHFFFAOYSA-N 324.331 3.681 0 40 DHAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc3ccccc3o2)n1 71870022 DHODZAPWXDOIJE-INIZCTEOSA-N 323.396 3.551 0 40 DHAB CCn1nc(C)c(C(=O)Nc2ccc(OC(C)C)cc2C)c1C 71882685 TXPARVZIFFRYLW-UHFFFAOYSA-N 315.417 3.868 0 40 DHAB COc1cc(F)ccc1N(C)Cc1nnc(-c2cccs2)o1 71915942 HGDUBTZKYLZVSW-UHFFFAOYSA-N 319.361 3.582 0 40 DHAB COCCCN(Cc1ccncc1)C(=O)Nc1ccc(C)s1 75415415 QDFFMECLTWTVPX-UHFFFAOYSA-N 319.430 3.522 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc2[nH]ccc12 79486294 IXHZHKFKFMVKGH-UHFFFAOYSA-N 319.364 3.547 0 40 DHAB C[C@H](CN1CCCCC1)OC(=O)C12CC3CC(CC(C3)C1)C2 80346550 XSTILHRJJFUTQB-DGTBMVLOSA-N 305.462 3.620 0 40 DHAB O=C(c1csnn1)N1CCCCC[C@H]1/C=C/c1ccccc1 84515185 XQBLOCKBNJPBMM-NKSUMMKUSA-N 313.426 3.636 0 40 DHAB O=C(c1ncncc1Cl)N(c1ccc(F)cc1)C1CCCC1 89788122 ILSVEJBOZUFDTK-UHFFFAOYSA-N 319.767 3.859 0 40 DHAB Cc1csc([C@@H](NCc2ccccc2N(C)C)C2CC2)n1 95403014 PCLCPOPNXISMOW-INIZCTEOSA-N 301.459 3.758 0 40 DHAB c1csc(CCCCNCc2cnc(C3CCC3)s2)n1 95415481 XIUIBGZLKDWLMK-UHFFFAOYSA-N 307.488 3.980 0 40 DHAB Cc1nnc(CSc2nc3ccccc3n2C(F)F)s1 95459395 KTPLHHWWYUUAEK-UHFFFAOYSA-N 312.370 3.884 0 40 DHAB C[C@@H](NC[C@]1(C)CCCS1)c1cccc(N2CCOC2=O)c1 95969315 DXRGLGVREAZBFF-DYVFJYSZSA-N 320.458 3.580 0 40 DHAB CO[C@H]1CCCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)C1 96122451 PXVCTSVKHOQSEU-YJBOKZPZSA-N 314.429 3.597 0 40 DHAB CO[C@](C)(CNC(=O)c1cccs1)c1cccc(Cl)c1 96392322 PIALWCMMVLYPSH-OAHLLOKOSA-N 309.818 3.693 0 40 DHAB CC(=O)N1CC[C@@H](CN(C)[C@H](C)c2ccc(C(C)C)cc2)C1 97086146 CDILGGYSDIBFRO-WBVHZDCISA-N 302.462 3.671 0 40 DHAB Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2)s1 98117058 LOJRIGKNFRFYRB-VIFPVBQESA-N 309.822 3.665 0 40 DHAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC(Oc2cccc(F)c2)CC1 100731001 CXAULPJWYKPJTL-IAGOWNOFSA-N 317.404 3.632 0 40 DHAB CCCCCN(CCCCC)C(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102316424 DYNDMDXKLAADIH-NXOAAHMSSA-N 321.461 3.718 0 40 DHAB O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2 104292476 KESSVIVBPRHJMV-RIQILIMLSA-N 300.423 3.595 0 40 DHAB CCS[C@@H]1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1 107358271 QGIKPKCIJAOYQR-FVQBIDKESA-N 321.490 3.848 0 40 DHAB Cc1cc(C)c(NC(=O)c2c[nH]c3ccccc3c2=O)c(C)c1 113735783 QCEFQHMQTSYJLO-UHFFFAOYSA-N 306.365 3.706 0 40 DHAB Cn1cnc2cc(C(=O)Nc3cccc4ccccc34)ccc21 162789971 VKMUNZXDHWLQFJ-UHFFFAOYSA-N 301.349 3.979 0 40 DHAB COc1ccc(C(=O)O)cc1COc1cc(C)cc(C)c1C 224273103 NGRXGFKNPYXHJK-UHFFFAOYSA-N 300.354 3.898 0 40 DHAB O=C(NCCSCc1c(F)cccc1Cl)c1cccnc1 225428780 RFLRIHGCFJLLKY-UHFFFAOYSA-N 324.808 3.537 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)COc2ccccc2)cc1Cl 225453334 MQCYUERBCMWVMU-LBPRGKRZSA-N 319.788 3.546 0 40 DHAB Cc1cc(N)ccc1-c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 226301610 ZVJIJEWTGLDSKP-CHWSQXEVSA-N 312.413 3.955 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2c(C)cc(N)cc2Cl)cc1 226763524 DZWIELROTNDQOB-VMPITWQZSA-N 316.788 3.891 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1C 245318931 XPSYBIYXGAGNCI-BBWFWOEESA-N 305.462 3.814 0 40 DHAB C[C@H](C[C@H](O)c1ccco1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 249402909 VMVTWQKWNLVPON-NDBYEHHHSA-N 305.340 3.802 0 40 DHAB COc1ccc2c(c1)N([C@H](C(=O)O)C(C)C)C(C)(C)C[C@@H]2C 260625391 ZOVYAZFSWGIDMS-LRDDRELGSA-N 305.418 3.897 0 40 DHAB Cc1noc(C)c1CCC(=O)NCc1ccc(-c2ccoc2)cc1 390829850 HAWWZSXPZNMJQU-UHFFFAOYSA-N 324.380 3.800 0 40 DHAB CCc1ccc(CNC(=S)c2ccc(OC)c(OC)c2)cc1 408578274 XBTMZCRCNNASDY-UHFFFAOYSA-N 315.438 3.732 0 40 DHAB Cc1nc2cc(C(=O)Nc3ccc(N(C)C)cc3)ccc2s1 408981122 ZPRWSNMUSMZYAN-UHFFFAOYSA-N 311.410 3.923 0 40 DHAB Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1csnn1 564830547 WSVXTLRBHVFKSO-ZDUSSCGKSA-N 303.431 3.706 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCc2sc(Cl)cc2C1 580448576 OKIPGWHBBWIVLV-UHFFFAOYSA-N 324.833 3.524 0 40 DHAB Cc1cc(C)c2cc(CN3CCCN(CC(F)F)CC3)[nH]c2c1 585084633 WENZRDUAHVKYFV-UHFFFAOYSA-N 321.415 3.558 0 40 DHAB COc1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1 105875 ZHGVCXDOKBSJBV-UHFFFAOYSA-N 310.744 3.607 0 40 DHAB Cc1nn(C)c(C(=O)Nc2cccc(Cl)c2Cl)c1Cl 355998 QWYTUOAQJMBGQF-UHFFFAOYSA-N 318.591 3.941 0 40 DHAB CCC(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12 560802 VPFJZMQTVUOBBS-UHFFFAOYSA-N 306.365 3.873 0 40 DHAB COc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1 572743 QKCWWARXJOJFKM-UHFFFAOYSA-N 313.378 3.649 0 40 DHAB COC(=O)[C@](F)(Sc1c[nH]c2ccccc12)C(F)(F)F 1827073 JDNJCEPNLOWAEZ-NSHDSACASA-N 307.268 3.661 0 40 DHAB O=C(Nc1ccc2c(c1)OCCO2)C1(c2ccccc2)CCCC1 2512699 XLKSPDXTOWSOMD-UHFFFAOYSA-N 323.392 3.908 0 40 DHAB CCOc1ccc(-c2nnc3n2N[C@H](c2ccccc2)S3)cc1 3843242 BABRQWMNLGWXRI-INIZCTEOSA-N 324.409 3.692 0 40 DHAB biogenic CC(C)(C)OC(=O)NCCCCCCNC(=O)OC(C)(C)C 3958314 VDSMPNIBLRKWEG-UHFFFAOYSA-N 316.442 3.596 0 40 DHAB in-vitro CCCCCC(=O)Nc1nnc(Cc2ccccc2F)s1 4178875 MXFJKHULLJMLTE-UHFFFAOYSA-N 307.394 3.787 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(F)cc2)cc1OC 5570213 KZHKJRURAPYIFR-UHFFFAOYSA-N 306.362 3.652 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccccc2OC)cc1OC 6204668 RILAKDMMXABODH-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB CCOc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1 6538834 CRSUDUDCEIPYIX-UHFFFAOYSA-N 320.414 3.648 0 40 DHAB O=C(Nc1ccccc1)N(Cc1cccs1)C[C@H]1CCCO1 6597677 KNDFONLQZJXVST-OAHLLOKOSA-N 316.426 3.961 0 40 DHAB CSc1ncc(Cl)c(C(=O)Nc2cc(C)ccc2C)n1 6810419 UFKPZRFGALGYSU-UHFFFAOYSA-N 307.806 3.721 0 40 DHAB Clc1ccc(-c2ccc(CNn3cnnc3)o2)c(Cl)c1 7602266 AELJRTLJWKCWCT-UHFFFAOYSA-N 309.156 3.589 0 40 DHAB COCCN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 8104524 CAWIOKWSBZERKK-RVDMUPIBSA-N 313.378 3.523 0 40 DHAB O=C(O)COc1ccc(-c2ccccc2)cc1Br 8567403 ZFHOSCKBZZRRJE-UHFFFAOYSA-N 307.143 3.580 0 40 DHAB O=C1CCc2cc(NC(=O)c3cccc4ccccc34)ccc2N1 9134379 LTUDJMCFWNTHFR-UHFFFAOYSA-N 316.360 3.977 0 40 DHAB O=C(CCc1ccco1)Nc1ccc(NC(=O)c2ccco2)cc1 11527466 NSPWWGIIFWFRLF-UHFFFAOYSA-N 324.336 3.696 0 40 DHAB CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1N 12496714 KRNPXICPTJBMJC-UHFFFAOYSA-N 314.385 3.627 0 40 DHAB C[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(Cl)cc1 12545626 VAJYYVHZRQMKCN-VXGBXAGGSA-N 303.793 3.856 0 40 DHAB Cc1cc(C)cc(OC(=O)c2cnc3c(cnn3C(C)C)c2)c1 12852380 QBZLGQBNEDGODQ-UHFFFAOYSA-N 309.369 3.848 0 40 DHAB CCC(CC)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 14120954 UEGOZMGPVKJFFH-UHFFFAOYSA-N 318.442 3.666 0 40 DHAB Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c(C)c1C 19942942 PQXKVRSCOITFNO-RYUDHWBXSA-N 309.475 3.587 0 40 DHAB CC1=C(C)[C@H](N[C@@H]2CCC[C@@H](C)[C@@H]2C)N(CCC(C)C)C1=O 20131064 QTRVLQKYYQBXGS-LTCOOKNTSA-N 306.494 3.952 0 40 DHAB COc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20141404 CWCBFOUNUMBWIR-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB Clc1ccc(CNCCc2ccc3c(c2)OCCO3)s1 21009238 LJZMYZAKHLIVBJ-UHFFFAOYSA-N 309.818 3.505 0 40 DHAB COc1ccc(CN(C(=O)c2cccs2)C2CC2)c(OC)c1 25292011 WUGRBFXJPLWXTO-UHFFFAOYSA-N 317.410 3.570 0 40 DHAB Cc1ccc2c(C)cc(SCCN3CCOCC3)nc2c1C 26099359 MBKZBTIJBRVGIA-UHFFFAOYSA-N 316.470 3.584 0 40 DHAB CN(C(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 30953280 CLIVCSBIGDJSNJ-UHFFFAOYSA-N 309.287 3.747 0 40 DHAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)CCO2 32466448 ZDIXMFZTXFFSEA-UHFFFAOYSA-N 322.389 3.997 0 40 DHAB O=C(NCCc1ccccn1)c1ccc2c(c1)-c1ccccc1C2 32843965 OPQBOJJYFIMWBN-UHFFFAOYSA-N 314.388 3.625 0 40 DHAB Cc1ccccc1CCNC(=O)NCCSc1ccccc1 32862896 KKDMKGPKWGTYPK-UHFFFAOYSA-N 314.454 3.629 0 40 DHAB COc1cc(NC(=O)c2cc(SC)ccc2C)cc(OC)c1 32906313 WBEZGGKBSMXCBC-UHFFFAOYSA-N 317.410 3.986 0 40 DHAB CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C)ccc1C 36015008 QFBYVEDMPNEUNS-BFQNTYOBSA-N 302.418 3.508 0 40 DHAB CC[C@@H](C)C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 37143069 JRAAQJABFOSELN-SSDOTTSWSA-N 314.361 3.695 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc(Cl)c2)o1 40159495 GEMIPSKRPCFQAQ-LBPRGKRZSA-N 307.777 3.667 0 40 DHAB CCN(CC)C(=O)c1ccc(Nc2ncnc3ccccc23)cc1 41503094 KFUCPYKHQNRNLW-UHFFFAOYSA-N 320.396 3.855 0 40 DHAB CCCCN[C@H]1C(C)=C(C)C(=O)N1[C@@H](C)CCc1ccccc1 57270776 SSBLOYDKKYDGAY-HNAYVOBHSA-N 314.473 3.902 0 40 DHAB Cc1c(Cl)cccc1NC(=O)CNCc1ccccc1F 58170501 PIOKVNOEPYRLPB-UHFFFAOYSA-N 306.768 3.516 0 40 DHAB Cc1ccc([C@H](C)N(C)C(=O)Cc2noc3ccccc23)s1 58295693 GBJNHPOLJHEURH-LBPRGKRZSA-N 314.410 3.960 0 40 DHAB CSc1cc2c(cc1NC(=O)c1sccc1C)OCCO2 58310290 MVJCUYCEAIPOKR-UHFFFAOYSA-N 321.423 3.802 0 40 DHAB Oc1cccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 64874548 BDTKNVADZZPLDP-UHFFFAOYSA-N 305.259 3.863 0 40 DHAB S=C(Nc1ccc2c(c1)CCC2)N1CCc2sccc2C1 64892383 MUULNEXBOAXNSQ-UHFFFAOYSA-N 314.479 3.992 0 40 DHAB Cc1cnn([C@@H](C)[C@H](C)NCCCc2nc3ccccc3o2)c1 69655251 VAOQJDSUQCONNZ-GJZGRUSLSA-N 312.417 3.505 0 40 DHAB C[C@H](CC[C@@H]1CCCO1)NC(=O)C[C@@H](C)c1cccc(F)c1 71909367 BOWSPBAZGSWPON-CPUCHLNUSA-N 307.409 3.783 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 78883139 MBQUHLSRVOYWDI-STQMWFEESA-N 323.318 3.788 0 40 DHAB O=C(CC[C@H]1CCCO1)N1CC[C@H](CSc2ccccc2)C1 81287154 NVOURHKYUIVOLI-JKSUJKDBSA-N 319.470 3.586 0 40 DHAB Cc1cnc(CSc2ncc(-c3ccc(F)cc3)o2)cn1 84258551 AVAMXAJZGQJLBI-UHFFFAOYSA-N 301.346 3.871 0 40 DHAB c1ccc(-c2nc3c(c(Sc4ccncc4)n2)CCC3)nc1 89884666 AIQDPZAUXCTZRU-UHFFFAOYSA-N 306.394 3.574 0 40 DHAB CCSc1ccccc1NC(=O)N1CC[C@H](CN(C)CC)C1 95407645 URWDNHMFHXDPIY-CQSZACIVSA-N 321.490 3.604 0 40 DHAB CCC[C@@]1(C)CCCN(c2ncccc2-c2nc(C)no2)C1 95962030 TZGSSOKTFBFTKU-KRWDZBQOSA-N 300.406 3.847 0 40 DHAB O=C(c1n[nH]c2c1CCCCC2)N1CCC(c2ccccc2)CC1 96231803 UZDBSAJLGLWIPL-UHFFFAOYSA-N 323.440 3.698 0 40 DHAB CC[C@H]([C@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96519541 YWJJZWUUUUAZFU-QZTJIDSGSA-N 318.438 3.600 0 40 DHAB CN(C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 101213910 JXMIXOSOCIMCNA-MMTROXRISA-N 323.521 3.843 0 40 DHAB Cc1c(C)n(-c2ccccc2)c2ncn(Cc3ccco3)c(=N)c12 101402221 OIRIIHPWZCBKLK-UHFFFAOYSA-N 318.380 3.565 0 40 DHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 222578814 SKEYZNZTIDBPCP-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB COC(=O)c1cn(C(=O)c2cc3ccccc3o2)c2ccccc12 222629127 VEUOHIZCDYTFJP-UHFFFAOYSA-N 319.316 3.863 0 40 DHAB COc1ccc(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)cc1 224154784 LUWSOCTUDVQODL-CYBMUJFWSA-N 307.434 3.794 0 40 DHAB COc1ccc(Cl)cc1C[C@H](OCc1ccccc1)C(=O)O 225122199 OVLPGFFYEOVCCW-INIZCTEOSA-N 320.772 3.561 0 40 DHAB C[C@@H](CNC(=O)COc1cccc2c1CCCC2)c1ccccc1 225133960 LPZMJLYOSMVREW-INIZCTEOSA-N 323.436 3.864 0 40 DHAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225637176 KANDUDJZKWZKFZ-SCLBCKFNSA-N 305.418 3.928 0 40 DHAB O=C(Nc1ccccc1F)c1snnc1-c1ccc(F)cc1 225778130 NZBCENGQGZLMLS-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC)c2ccccc12 225797602 VLAPBLARQBMWLE-SFHVURJKSA-N 301.386 3.992 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC(C)CC1 225840574 QNCAQWHQXDYAAV-IBGZPJMESA-N 315.457 3.981 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)cn1 225894877 SSAUKQKQCXILHJ-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB Cc1cccc2sc(-c3cc(Br)c[n+](C)c3)nc12 226776841 RFUQIGXCSKHVKG-UHFFFAOYSA-N 320.235 3.859 0 40 DHAB CC(C)OCc1nn(CCC(F)(F)F)cc1Br 408716072 INSKDZMAKLHKMR-UHFFFAOYSA-N 315.133 3.523 0 40 DHAB COc1cc(C2([C@@H](N)CC(C)C)CCC2)cc(OC)c1OC 1772714909 DAMJGWVLMFXGGD-INIZCTEOSA-N 307.434 3.508 0 40 DHAB O=C(Cc1c(F)cccc1Cl)NCC1(c2ccsc2)CC1 1888921987 OMXYGNDCZXXUKF-UHFFFAOYSA-N 323.820 3.931 0 40 DHAB CCOC(=O)c1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1 33765 LYFMGMAMIGUZDB-UHFFFAOYSA-N 312.300 3.719 0 40 DHAB Cc1nc2c(Br)ccc(Br)c2nc1C 346975 HTBCEBFTSLDEIZ-UHFFFAOYSA-N 315.996 3.772 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2ccc(C)c(C)c2)c1Cl 384994 WVKCTJNSYDLLGU-UHFFFAOYSA-N 305.809 3.895 0 40 DHAB CC(C)OC(=O)CSc1nc(C(C)C)nc2ccccc12 1355971 KUDWQZAYCFWGGC-UHFFFAOYSA-N 304.415 3.797 0 40 DHAB Cc1ccc(-c2cnc3c(Br)c(C)nn3c2)cc1 1386202 MHPNFKBRAOQZPA-UHFFFAOYSA-N 302.175 3.776 0 40 DHAB C[C@@H](CCN(C)C)OC(=O)c1ccc([C@@H](C)c2ccccc2)o1 1817503 UQKRKNYMJLVFPM-GJZGRUSLSA-N 315.413 3.928 0 40 DHAB O=C1c2ccc(F)cc2C(=O)N1c1ccccc1C(F)(F)F 3100117 UNKWNMUDRHSPNI-UHFFFAOYSA-N 309.218 3.645 0 40 DHAB CCC(CC)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4032996 UGZHDARTMMHWFY-UHFFFAOYSA-N 308.385 3.771 0 40 DHAB O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1cccnc1 4329779 NMKDMMAYTLKYLZ-GOSISDBHSA-N 318.380 3.520 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccc3snnc3c2)c2ccccc21 5152190 JXGCNYHNBWDIQX-JTQLQIEISA-N 310.382 3.847 0 40 DHAB aggregator CC[C@@H](C)[C@H](Nc1nc(C)nc2c1oc1ccccc12)C(=O)O 5278323 VBWVTQZYKNGRSQ-RNCFNFMXSA-N 313.357 3.596 0 40 DHAB Cc1ccccc1Nc1c(C(=O)O)cnc2ccc(C(=O)O)cc12 5510777 JOJXXNGTCZVZEH-UHFFFAOYSA-N 322.320 3.683 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 5701400 ZJFJEHHYFQHULD-LBPRGKRZSA-N 303.333 3.549 0 40 DHAB O=C(Cn1ccc2ccccc21)Nc1ccc(F)c(F)c1F 7099458 NYPBGSIAJQFBFN-UHFFFAOYSA-N 304.271 3.697 0 40 DHAB O=C(Cc1ccc(F)cc1)OCc1cc(-c2cccs2)on1 7550221 CIZHZKXWDQTZCV-UHFFFAOYSA-N 317.341 3.828 0 40 DHAB Cc1cc(OCC(=O)Nc2ccn(C)n2)c(C(C)C)cc1Cl 8724817 BBDYRLULXJKSHN-UHFFFAOYSA-N 321.808 3.523 0 40 DHAB C[C@@H]1CN(C=O)c2ccccc2N(CCC2CCCCC2)C1=O 8809972 JBSQWVPNBWXXDQ-OAHLLOKOSA-N 314.429 3.603 0 40 DHAB CCCC(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 9064326 SMRKWGGPDFIKAS-ZDUSSCGKSA-N 319.474 3.679 0 40 DHAB O=C(NC(=S)NCc1ccccc1)c1cccc2ccccc12 9140794 DCPHKWXIPDUVNO-UHFFFAOYSA-N 320.417 3.644 0 40 DHAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@H](C)C3 9225389 FZVAPLWWYCCZCR-SNVBAGLBSA-N 309.344 3.609 0 40 DHAB Fc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccncc2)cc1 12338003 VQWMKTDYCZUVSX-AYBZRNKSSA-N 312.388 3.653 0 40 DHAB Cc1ccc(-c2cn(CC(=O)c3ccccc3)c3[n+]2CCC3)cc1 13769100 HBDSZYLGZGYPPM-UHFFFAOYSA-N 317.412 3.580 0 40 DHAB Cc1cc(C)c(NC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1 15518848 DUOFAJNISKPNFL-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB COc1ccccc1-c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 16841737 BKDHJYSRZBFPHO-UHFFFAOYSA-N 318.336 3.802 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccccc2SC)cc1 20491345 ZQQIKQVSVMECPN-GFCCVEGCSA-N 301.411 3.908 0 40 DHAB CCCc1nnc(NC(=O)c2cc3ccccc3cc2O)s1 22746480 FILPAGSPYHUSNW-UHFFFAOYSA-N 313.382 3.602 0 40 DHAB COC(=O)C1CCN(Cc2sc3ccccc3c2Cl)CC1 27344410 KUHNFMHMFQUJIZ-UHFFFAOYSA-N 323.845 3.940 0 40 DHAB O[C@@H](CN1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 29827578 SIQVXMWPENGURW-AEFFLSMTSA-N 322.408 3.741 0 40 DHAB FC(F)Oc1ccc(CNc2ncnc3ccccc23)cc1 29852848 UIPCXKIJWKSZPX-UHFFFAOYSA-N 301.296 3.843 0 40 DHAB Cc1nc(-c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)co1 29954401 YCVNUDCNNODZNG-UHFFFAOYSA-N 311.366 3.960 0 40 DHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccco1 30276258 RZXIVAUNXCQDNV-SNVBAGLBSA-N 310.756 3.531 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1C 30847826 FAWRATINWYJJIG-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB Cc1nc(-c2ccc(NC(=O)CCc3cccnc3)cc2)co1 32776587 RFBLABYDUBAXSX-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB Cc1cc(NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)no1 32841298 MLDFJANQBMKVBH-GVMDUPDNSA-N 303.406 3.709 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)N1CCc3ccccc31)n2C 35476041 PBJDEDTUNYXRGK-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1c[nH]c2ccccc12 38717013 BIUDTCVPNDVGSP-UHFFFAOYSA-N 302.337 3.810 0 40 DHAB CCc1cccc(CC)c1NC(=O)NCCCN1CCCCC1 40098949 GXJDFRDSACQCDT-UHFFFAOYSA-N 317.477 3.809 0 40 DHAB CCCOc1ccc([C@H](C)NC(=O)c2ccoc2C)cc1OC 40121732 GIIMBBOSYZCRJR-LBPRGKRZSA-N 317.385 3.876 0 40 DHAB O=C(O)c1ccc(Nc2ccnc3c(F)cc(F)cc23)cc1 40175559 ATOMACLICZTZGT-UHFFFAOYSA-N 300.264 3.955 0 40 DHAB O=C(CCCc1ccccc1)Nc1nnc(-c2cccnc2)s1 40311753 GHXXOKPBLNSVOH-UHFFFAOYSA-N 324.409 3.562 0 40 DHAB O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccco1 44442468 WULFIFUJOWNRGV-UHFFFAOYSA-N 307.349 3.789 0 40 DHAB Cc1cc(C)cc(NC(=S)NCCCOC2CCCC2)c1 57815729 ODYNLLQGNVVTQR-UHFFFAOYSA-N 306.475 3.939 0 40 DHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3)o2)cc1 63887738 ZXQPPWWUAPYANQ-UHFFFAOYSA-N 322.364 3.922 0 40 DHAB Fc1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1 65185348 JZPLYWMIUCSDNQ-UHFFFAOYSA-N 322.299 3.517 0 40 DHAB CCn1cc(C2CCN(Cc3cccc4cccnc34)CC2)cn1 65458712 JZMXKAIELXHCIB-UHFFFAOYSA-N 320.440 3.831 0 40 DHAB C[C@H](CO)NCc1ccc(-c2cccc(Cl)c2Cl)o1 67223910 KPJOOMCASYSMSZ-SECBINFHSA-N 300.185 3.724 0 40 DHAB O=C(CC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 69452281 LIUMFJAJOBBKLK-WPRPVWTQSA-N 311.225 3.630 0 40 DHAB Cc1ccccc1[C@H]1CCN(C(=O)CCc2ccccc2O)C1 69509072 IGLVLJMQRCUASB-KRWDZBQOSA-N 309.409 3.649 0 40 DHAB CCN(Cc1ccoc1)C(=O)N[C@@H](C)c1ccc(F)cc1F 69538847 WDVIJFRCCZAAEU-NSHDSACASA-N 308.328 3.851 0 40 DHAB Brc1cncc(Oc2ncnc3ccsc23)c1 70488686 WTFFXPVZYMHYHV-UHFFFAOYSA-N 308.160 3.641 0 40 DHAB CCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 70978572 XNGVBLNVCRQEEM-KRWDZBQOSA-N 303.427 3.733 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1OC 71760588 JCNMASQERGEZDI-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cc1ccsc1C(=O)OCc1nccn1Cc1ccccc1 71874424 GLRUASXZZXFVOH-UHFFFAOYSA-N 312.394 3.658 0 40 DHAB C[C@H]1CCC[C@H](N(C)C(=O)c2coc(Br)c2)C1 78270051 VXLQFEMFBXXAOQ-ONGXEEELSA-N 300.196 3.693 0 40 DHAB COc1ccc(CCCC(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1F 84552621 LDGOMIWNQWPFTE-HZPDHXFCSA-N 317.404 3.582 0 40 DHAB C[C@H](CC(=O)OC[C@@H]1CCN(c2ccccc2)C1)c1ccncc1 84636938 ZNUKDJIGJOKJGA-IAGOWNOFSA-N 324.424 3.645 0 40 DHAB CC(C)C[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccccn1 90542101 HRWWUTPLMCKERL-RYQLBKOJSA-N 320.502 3.813 0 40 DHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nccs1 95432378 HOQYDWZLGCHQSH-UHFFFAOYSA-N 323.849 3.566 0 40 DHAB C[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](n3ncc4ccccc43)C2)C1 95469099 PNVNXGUXURAUPR-INMHGKMJSA-N 311.429 3.636 0 40 DHAB COc1ccc([C@H](C)N[C@@H](C)c2cnn(C)c2)c2ccccc12 95968451 RXBGKKFICYEPCW-KBPBESRZSA-N 309.413 3.994 0 40 DHAB CCOc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1O 95974023 YWZNZCKLUXCHNC-UHFFFAOYSA-N 309.724 3.836 0 40 DHAB O=C(CCc1ccc(F)cc1)NCCc1ccc(Cl)cc1 96648477 KHBDEHZIJGMNJW-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB COc1cccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2Cc2cccnc2)c1 100112338 XAGFKPXRNZMYRL-ZWOKBUDYSA-N 324.424 3.522 0 40 DHAB C[C@H](NC(=S)NCCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102837457 VZCDYBHTQQUKMM-HJWJTTGWSA-N 302.487 3.518 0 40 DHAB COc1ccc(NC(=O)c2ccccc2OC(C)C)c(OC)c1 105940192 QDYKPFALUCMCGZ-UHFFFAOYSA-N 315.369 3.743 0 40 DHAB C[C@H](NC(=O)CCCOc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 108924824 WLHLXJWNOQGCPP-OVWQWFNUSA-N 301.430 3.787 0 40 DHAB COc1cccc(O[C@H](Cc2cccc3ccccc23)C(=O)O)c1 225048936 YDXBNJUQTWAHBR-LJQANCHMSA-N 322.360 3.923 0 40 DHAB Cc1cc(Cl)ccc1Nc1ccc(C(=O)NC2CC2)cc1N 225426194 XOBBAEXBLWSLPE-UHFFFAOYSA-N 315.804 3.866 0 40 DHAB CCCOC1(C(=O)Nc2cnc(OC)c(C)c2)CCC(C)CC1 225912448 ZZAJZIFMAVDATP-UHFFFAOYSA-N 320.433 3.713 0 40 DHAB Cc1cnc([C@H]2CCCN(C(=O)c3sccc3C)C2)s1 257209532 BQTVMNNBRCFLNO-LBPRGKRZSA-N 306.456 3.841 0 40 DHAB CC(C)C[C@H]1C[C@@H](NC(=O)Cc2ccccc2)[C@@H]2CCC[C@H]2O1 257223419 DXHCJUBPGYTMHF-INDMIFKZSA-N 315.457 3.718 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1c(C(C)C)noc1C 257251170 JPSQGVSLDVLCRG-ZDUSSCGKSA-N 316.405 3.505 0 40 DHAB Cc1nn(C(C)C)cc1CNCc1nsc2ccccc12 585116619 CSOPRMGAFKMRSL-UHFFFAOYSA-N 300.431 3.672 0 40 DHAB O=C(CCCC(=O)c1ccccc1)NCc1ccc(C2CC2)nc1 585150313 QUUGPPFYBDMMMG-UHFFFAOYSA-N 322.408 3.628 0 40 DHAB O=C1OC(C(F)(F)F)(C(F)(F)F)CN1C1CCCCC1 604221796 JBUVXSPGTFYDTJ-UHFFFAOYSA-N 305.218 3.635 0 40 DHAB Oc1ccccc1NCCC(F)(F)C(F)(F)Br 1083811834 WKXOKCFTFJHFCU-UHFFFAOYSA-N 316.092 3.817 0 40 DHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)[C@@H]1CC=CCC1 1775968497 OTBWHCAFUZAWKU-TZMCWYRMSA-N 317.410 3.514 0 40 DHAB C[C@@]12CCC(=O)C[C@@]1(C)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O 2049238273 BFCOSNMGHLCEIQ-VDCAWCAVSA-N 318.457 3.672 0 40 DHAB COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1Cl 429513 MBMCWDNXHQYXFF-UHFFFAOYSA-N 320.776 3.748 0 40 DHAB COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 507369 OZXBBLAWXISZKA-UHFFFAOYSA-N 301.125 3.952 0 40 DHAB CCOC(=O)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2Cl)O1 1678146 DOLCNRFPZKTJLD-OLZOCXBDSA-N 319.184 3.831 0 40 DHAB Cc1ccc(S(=O)(=O)Oc2ccc3ccc(O)cc3c2)cc1 2069629 OXFRWILFTPFWNC-UHFFFAOYSA-N 314.362 3.622 0 40 DHAB COc1ccc(/C=C/C(=O)OCc2ccccc2F)cc1OC 3229128 CZQTXHZJVVLLLK-CSKARUKUSA-N 316.328 3.600 0 40 DHAB COc1cccc(C(=O)OCc2c(F)cccc2Cl)c1OC 3370668 MADWCWACQMSRQB-UHFFFAOYSA-N 324.735 3.853 0 40 DHAB CCN(CC)CC(=O)N1c2ccccc2CCc2ccccc21 4108424 ZTDPCMHYSZWOHQ-UHFFFAOYSA-N 308.425 3.792 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 4275889 DFRCONDPYSGSJT-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cc(=O)[nH]c2ccccc12 6152527 RFWAIWZNWZENCK-UHFFFAOYSA-N 306.365 3.651 0 40 DHAB CC(C)c1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 6805699 AVUWDIHWXWWRSL-QGZVFWFLSA-N 324.380 3.538 0 40 DHAB aggregator Cc1csc(SCc2nc(-c3ccc(F)cc3)no2)n1 7293884 QEOMCJUIXQMDQK-UHFFFAOYSA-N 307.375 3.933 0 40 DHAB CCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1 7376088 BHHTUTJDUWYPIU-UHFFFAOYSA-N 313.463 3.578 0 40 DHAB COc1cc(NC(=O)Cc2cccc(F)c2)c(OC)cc1Cl 7406027 RBNKXSFNZPBJOP-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB COc1cccc(NC(=S)NCc2ccccc2Cl)c1 7528528 UVHXYNXCPIDLMP-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB CC[C@H](C)[C@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 7770149 NXVGAFJFPLLDPH-GUYCJALGSA-N 310.397 3.554 0 40 DHAB CNC(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 8033711 JERAVJMUEGJYKL-UHFFFAOYSA-N 316.445 3.837 0 40 DHAB Cc1nc2ccccc2n1CCNC(=O)c1cc2ccccc2o1 8134950 OGJRRSWVTVSOKB-UHFFFAOYSA-N 319.364 3.521 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1F 8944065 ZPZQLZDIPGWLBP-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(C)cc2C)c1C 9316975 NQOOBMFFSSCOMT-UHFFFAOYSA-N 312.413 3.723 0 40 DHAB COc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(C)c3)C2)c1 9576747 WRLPIRPJMYKPID-IBGZPJMESA-N 308.381 3.701 0 40 DHAB COc1ccc(C)cc1NC(=O)c1ccc(Cn2cccn2)cc1 10642259 APIPZGJNZGJMHG-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB O=c1oc2ccc(F)cc2cc1-c1nc(-c2ccccc2)no1 12945996 OCENXOUQRXJFMZ-UHFFFAOYSA-N 308.268 3.649 0 40 DHAB CC[C@@H](NC(=O)c1cccnc1SC)c1ccc(C)cc1 14602626 QKXWMOMQBYQXOT-OAHLLOKOSA-N 300.427 3.993 0 40 DHAB Fc1ccccc1CCNCc1cccc(Br)c1 16449547 DVVCRKNGRKWESN-UHFFFAOYSA-N 308.194 3.921 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(N)ccc1F 19736591 WSAHHIJHHNEHEW-OAHLLOKOSA-N 302.349 3.512 0 40 DHAB Cc1cccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)c1 20899398 JSFOIGZSRIKSBR-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB O=c1ccccn1Cc1csc(-c2ccccc2Cl)n1 21996952 BCRNAGWQGGGRGJ-UHFFFAOYSA-N 302.786 3.674 0 40 DHAB O=C(O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 22119735 OYHPJHVGYLBFNM-UHFFFAOYSA-N 300.701 3.755 0 40 DHAB COc1ccc(-n2nc(Cl)nc2-c2ccc(F)cc2)cc1 22125908 CRLMVICXYQMWQN-UHFFFAOYSA-N 303.724 3.735 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 30751424 GNNDYRQFKWXLCN-MAUKXSAKSA-N 309.409 3.956 0 40 DHAB COc1ccc(C(=O)N(C)[C@H](C)c2ccccc2OC)cc1F 32796616 ZCLFUNOKIPVUAV-GFCCVEGCSA-N 317.360 3.676 0 40 DHAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(F)c1 36392579 PIHOFGJULXBNEH-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB CC(C)c1ccccc1NC(=O)c1ccc(Cn2cncn2)cc1 36718849 OHEJWAFZNAUGTJ-UHFFFAOYSA-N 320.396 3.702 0 40 DHAB OC[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 38781877 YAFYNSAZZKZZSR-BBQAJUCSSA-N 315.416 3.655 0 40 DHAB CCOc1ccccc1NC(=O)NCc1cc(F)cc(F)c1 40098748 FOHNVFBLCGVTDC-UHFFFAOYSA-N 306.312 3.685 0 40 DHAB COc1cccc(-c2nc3ccccc3n2CC(=O)OC(C)C)c1 40250232 MVNVRVIEMWEVPN-UHFFFAOYSA-N 324.380 3.664 0 40 DHAB Cn1ncc2c1CCC[C@H]2NCc1cccc(C(F)(F)F)c1 42229415 WZVMSSLVZWQECD-CQSZACIVSA-N 309.335 3.606 0 40 DHAB O=C(CCc1ccccc1)NCc1cccc(C(F)(F)F)c1 44675547 NGJVCUNTRYJJOH-UHFFFAOYSA-N 307.315 3.954 0 40 DHAB CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2o1 58282520 XWLXFFSYXYPEAS-ZDUSSCGKSA-N 313.397 3.834 0 40 DHAB Cc1ccc2oc(C(=O)N[C@H]3CCCc4c3cnn4C)c(C)c2c1 71195578 DFTBQHSBXFTWPZ-HNNXBMFYSA-N 323.396 3.591 0 40 DHAB O=C(c1ccccc1)[C@H]1CCC[C@H](C[C@H](O)c2ccccc2)N1 71775439 CNWKJIFYKGLTLI-QRVBRYPASA-N 309.409 3.504 0 40 DHAB CC[C@H](C)N(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 71909590 FYXOHHSROZJWLS-XMHCIUCPSA-N 324.490 3.996 0 40 DHAB Cc1cc(C)n(-c2nc3ccc(NC(=O)C(C)C)cc3s2)n1 72229631 NEDSSZQCSOCJJN-UHFFFAOYSA-N 314.414 3.693 0 40 DHAB Cn1c(C(=O)N2CCc3ccccc3C2)cc2cc(F)ccc21 72403593 BLTBRNPXVGAWNH-UHFFFAOYSA-N 308.356 3.516 0 40 DHAB Cc1cc(C)c(CN[C@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1C 76057663 XBYCEBRGVQNPMY-MJGOQNOKSA-N 316.489 3.594 0 40 DHAB Cc1nc(CN(CCCO)[C@H]2CCCc3ccccc32)oc1C 81535898 RFTXWNLEURNWQW-SFHVURJKSA-N 314.429 3.553 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1 89530053 FQIZTYCOQDINSQ-UHFFFAOYSA-N 311.385 3.585 0 40 DHAB C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)c1cccnc1 95964254 BSQPFXHSDRRREJ-AWEZNQCLSA-N 319.474 3.604 0 40 DHAB c1ccc2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2c1 96282675 GPCCQUBMGXQCPH-UHFFFAOYSA-N 307.397 3.705 0 40 DHAB O=C(c1ccnnc1)N1CCCCC[C@H]1/C=C/c1cccs1 97084420 UZGXJKRLSQETTC-KIUWMYQTSA-N 313.426 3.636 0 40 DHAB C[C@H]1CCCCN1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 105934248 GJZFCXFLSIUPBM-JKSUJKDBSA-N 314.473 3.617 0 40 DHAB COc1cc(NC(=O)N(C)CC(F)(F)F)ccc1OC(C)C 188656711 RDQRONCIVJDUHX-UHFFFAOYSA-N 320.311 3.508 0 40 DHAB CC(C)(C)SCCNC(=O)COc1ccc2c(c1)CCCC2 222823758 BRBFFEFSORDUBJ-UHFFFAOYSA-N 321.486 3.592 0 40 DHAB CC(C)C(NC(=O)COc1cccc2c1CCCC2)C(C)C 223674592 KGUPOAPYQICWKD-UHFFFAOYSA-N 303.446 3.741 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(COC)c1 224449692 UVULFPPOEBLBLT-QGZVFWFLSA-N 317.360 3.768 0 40 DHAB COc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1Cl 225638760 DTJMZQMNMVEQBV-BZNIZROVSA-N 311.809 3.882 0 40 DHAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccccc1F 226261208 FJMSTJLYFNTBIQ-UHFFFAOYSA-N 301.365 3.506 0 40 DHAB CCCn1ccnc1CN1CCC[C@@H]1CCc1ccnc(C)c1 257258990 KWJPPPKZBRGREC-GOSISDBHSA-N 312.461 3.594 0 40 DHAB CNc1ccc(Cl)c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 516557628 XGYRENNPQGZPQZ-CYBMUJFWSA-N 322.836 3.603 0 40 DHAB CN(CCN(C)C1CC1)Cc1ccc(Cl)c(C(F)(F)F)c1 583779690 GAKSFJNDQFUITL-UHFFFAOYSA-N 320.786 3.885 0 40 DHAB CC[C@H](C)N1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 585100194 HLMHPFIYXBXSAN-PXNSSMCTSA-N 314.473 3.832 0 40 DHAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CC[C@H](CF)C1 881678331 XTNHXHKZFVHOFE-LLVKDONJSA-N 322.380 3.689 0 40 DHAB c1cc2c(NCc3cc(-c4ccoc4)cs3)ncnc2cn1 1775970357 DDNUTYDVGJPKRL-UHFFFAOYSA-N 308.366 3.958 0 40 DHAB Cc1nnc(SCc2ccc(Br)cc2)s1 359961 IPQNDZFBNNYACF-UHFFFAOYSA-N 301.234 3.901 0 40 DHAB O=C(O)CCCCCCC(=O)c1cc(F)c(F)c(F)c1F 2580119 AFBXWABEHTYZJC-UHFFFAOYSA-N 306.255 3.851 0 40 DHAB COc1ccccc1C(=O)Nc1nc2c(OC)cccc2s1 3173547 RNPLBPCNRPDEHG-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB O=C(COc1cc(Cl)ccc1Cl)N1CCc2ccccc21 3469450 VZOFOAQZXSPWQB-UHFFFAOYSA-N 322.191 3.962 0 40 DHAB Cc1ccc(N2C(=O)CC[C@H](C(=O)O)[C@@H]2c2cccs2)cc1 3888168 KIQDHOPFZJKODK-XJKSGUPXSA-N 315.394 3.625 0 40 DHAB Clc1nsc(SCSc2nc(Cl)ns2)n1 4290383 RKVZMSJUGAGNNF-UHFFFAOYSA-N 317.273 3.538 0 40 DHAB COc1cccc(OCCOc2ccc(Cl)cc2C=O)c1 4502100 ZPPJUMRLXPEKNZ-UHFFFAOYSA-N 306.745 3.619 0 40 DHAB CC[C@@H](c1ccccc1)c1nn2c(-c3ccco3)nnc2s1 4938827 XMVZMOJGOZKSTL-LBPRGKRZSA-N 310.382 3.988 0 40 DHAB COC(=O)[C@@]1(C)CCC(c2ccc(C)cc2)=C(CC(=O)O)C1 5103831 RFZTVGJNQLCFOY-SFHVURJKSA-N 302.370 3.587 0 40 DHAB in-vitro Cc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c(O)c1 5225710 RHIVDLJIQBTXFN-LBPRGKRZSA-N 323.348 3.610 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccccc2F)cc1 5818273 YWGHYJLNWLMXBC-GOSISDBHSA-N 321.355 3.915 0 40 DHAB CCOc1ccccc1Oc1c(C)oc2cc(O)ccc2c1=O 5907073 GUZPIULGVYVDEE-UHFFFAOYSA-N 312.321 3.998 0 40 DHAB biogenic CNC(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1 7312673 RVABXJWCCKTKIB-UHFFFAOYSA-N 310.378 3.513 0 40 DHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1 7447574 KORDZXFYHOLZAU-UHFFFAOYSA-N 308.425 3.603 0 40 DHAB CCOc1ccc(NC(=S)NCc2ccc(F)cc2)cc1 7518213 DDSXORNLZUTEHL-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB CC[C@@]1(c2ccccc2)NC(=O)N(C/C=C/c2ccccc2)C1=O 8389590 YBIRGOQZEKCSQD-JTPHSUOKSA-N 320.392 3.557 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 8706467 ZNZNWXFQZSKMHD-INIZCTEOSA-N 309.344 3.679 0 40 DHAB Oc1[nH]c2ccc(Br)cc2c1OCc1ccncc1 8816273 DDWLUHSWARYGEI-UHFFFAOYSA-N 319.158 3.610 0 40 DHAB CSc1nc2c(c(NCc3ccccc3)n1)SCCC2 9340715 DNRONTAIABRWCX-UHFFFAOYSA-N 303.456 3.849 0 40 DHAB O=C(Cc1c(Cl)cccc1Cl)N1CCCc2ncccc21 12555695 HMYCWYFLGSIXND-UHFFFAOYSA-N 321.207 3.910 0 40 DHAB CSc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 12760285 WULVLFGZQLQBSP-UHFFFAOYSA-N 302.399 3.808 0 40 DHAB COc1cccc([C@@H](CNc2nc3ccccc3o2)N(C)C)c1 12774886 BDWOYWDOAQUQSF-MRXNPFEDSA-N 311.385 3.551 0 40 DHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 12822350 TYFQISHVBCNQRA-GOSISDBHSA-N 323.392 3.922 0 40 DHAB Cc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1C 12889172 OXNFQFLWGBAKFP-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCc2ccccc21 13007873 DCKWQVFSLOVIME-SJCJKPOMSA-N 315.800 3.911 0 40 DHAB COc1cccc(-c2nc(N3CCCC3)c3ccccc3n2)c1O 13126316 WYHJQIBTWZCYDU-UHFFFAOYSA-N 321.380 3.611 0 40 DHAB CN(C)c1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 14910587 YYSFEYXXGVMKIS-UHFFFAOYSA-N 309.413 3.605 0 40 DHAB CCn1nnc2cc(C(=O)Nc3cccc4c3CCCC4)ccc21 15302506 CLASBFKWUHBYJD-UHFFFAOYSA-N 320.396 3.582 0 40 DHAB C[C@H]1CCc2nc(NC(=O)c3cccc(N(C)C)c3)sc2C1 21798042 GSGALCKOXAYYST-NSHDSACASA-N 315.442 3.586 0 40 DHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccccc1 21835787 DELKOEVEBHZOAH-HNNXBMFYSA-N 315.442 3.707 0 40 DHAB CN(Cc1nc(C(C)(C)C)no1)Cc1nc2ccccc2s1 23904035 SGMGQCVAOVOYLZ-UHFFFAOYSA-N 316.430 3.609 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccccc1 30750834 RKLMOVQQPPAMDZ-KSSFIOAISA-N 313.397 3.730 0 40 DHAB Cc1nc2ccccc2nc1COC(=O)c1cc2c(s1)CCC2 32911122 FGCNKPFYPZCFEF-UHFFFAOYSA-N 324.405 3.845 0 40 DHAB COc1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 40946453 FPGLBILXESELLL-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCCCCC2)cc1 48065929 IEMXTBCWPCASPR-FMIVXFBMSA-N 316.401 3.671 0 40 DHAB CC(C)(C)C[C@@H](NC(=O)c1cnccn1)c1ccc(F)cc1 48363638 PQDLIDATGYHNOZ-CQSZACIVSA-N 301.365 3.523 0 40 DHAB COc1ccc([C@@H]2CCCCCN2Cc2nnc(C)o2)cc1 52711781 YKXAQUGKMRLMHH-INIZCTEOSA-N 301.390 3.504 0 40 DHAB OCCC[C@H]1CCCN1Cc1cc2ccccc2nc1Cl 52759525 AFDLODLWSPKQBW-OAHLLOKOSA-N 304.821 3.625 0 40 DHAB CO[C@@H](CNCc1c[nH]nc1-c1cccs1)c1ccccc1 60528352 LAKOZOKHIVESSY-HNNXBMFYSA-N 313.426 3.616 0 40 DHAB CO[C@@H](C(=O)NCC(C)(C)c1cccc(C)c1)c1ccccc1 62929826 RSLARTTVZGQROO-GOSISDBHSA-N 311.425 3.777 0 40 DHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 67515919 GJTOUNVBQQBCPP-NVXWUHKLSA-N 323.440 3.801 0 40 DHAB CCOc1ccc(CNC(=O)N(CC)Cc2ccoc2)cc1F 71879916 NHHXWUOSUZXOCJ-UHFFFAOYSA-N 320.364 3.549 0 40 DHAB OCc1cc2ccccc2nc1N1CCC[C@@H](C(F)(F)F)C1 71893809 FKZCCJSFFOJFKP-CYBMUJFWSA-N 310.319 3.506 0 40 DHAB C[C@@H](c1ccccc1F)N(C(=O)NCc1ccco1)C1CC1 72273193 JNKCKRGGYYDZQH-LBPRGKRZSA-N 302.349 3.854 0 40 DHAB C=Cc1cc(OC)c(OCc2ccn(C(C)C)n2)c(OC)c1 72302606 SWUSFCLGQLKRQE-UHFFFAOYSA-N 302.374 3.703 0 40 DHAB CC[C@@H](c1ccncc1)N(C)C(=O)NCCc1cccc(C)c1 76018560 SKMIIFYPFIHMSG-SFHVURJKSA-N 311.429 3.725 0 40 DHAB Cc1nnc2ccc(N[C@@H](C)c3ccccc3C(F)(F)F)nn12 78931221 PEBMQKAJERNVLW-VIFPVBQESA-N 321.306 3.625 0 40 DHAB O=C(Nc1cc(-c2cccs2)n[nH]1)c1c(F)cccc1F 81944924 ZHILTPFLLQTDLZ-UHFFFAOYSA-N 305.309 3.669 0 40 DHAB CC(C)(C)SCCCC(=O)N1CCC(=O)Nc2ccccc21 95436006 HHEDTHJYVUGQMW-UHFFFAOYSA-N 320.458 3.674 0 40 DHAB CCOCCN(C)C(=O)Nc1sc(-c2ccccc2)nc1C 96010722 JUFRPLFRVZQHLZ-UHFFFAOYSA-N 319.430 3.619 0 40 DHAB CO[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1C 96105043 WEXCJOAMAWFIKO-SFHVURJKSA-N 315.388 3.571 0 40 DHAB C[C@H]1C[C@]2(C)C[C@@H](C)[C@]1(COC(=O)NC1CCCCC1)CO2 100745056 ZMDXDZFDQRGJIR-GMZXCYCJSA-N 309.450 3.887 0 40 DHAB biogenic CC1CCN(C[C@@H](O)CCO[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 104489283 VKHVDMQUWAJNHZ-JPLJXNOCSA-N 323.521 3.701 0 40 DHAB Cc1nnc(CCCSCc2nc3ccccc3s2)o1 166562050 XBWOFWFXPULVML-UHFFFAOYSA-N 305.428 3.854 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccccc2C)cc1Cl 224115455 RHDKULGCUUCGIX-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB COc1ccc(C(=O)NC2CCCCC2)cc1COCC(C)C 224445578 ZXWHJNUWQZGCNH-UHFFFAOYSA-N 319.445 3.930 0 40 DHAB CCCNC(=O)c1ccc(OC)c(COCc2ccccc2)c1 224456725 SRTVKWOQNKTHJO-UHFFFAOYSA-N 313.397 3.552 0 40 DHAB CCCS(=O)(=O)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 225658483 ZWYUGCOGSUJNHP-CQSZACIVSA-N 315.866 3.649 0 40 DHAB CC(C)C1(NC(=S)Nc2ccc3c(c2)OCCO3)CCCC1 225857897 BEBOVHTYHLKSLU-UHFFFAOYSA-N 320.458 3.713 0 40 DHAB c1ccc(CN2CCN(c3ccc(-n4cccc4)cc3)CC2)cc1 226245284 RWWOHSCOJUMJQN-UHFFFAOYSA-N 317.436 3.800 0 40 DHAB CC(C)Oc1nn(C)c2ccc(NC(=O)CC(C)(C)C)cc12 227164735 SJHNKFBVCSYFAE-UHFFFAOYSA-N 303.406 3.735 0 40 DHAB Cc1c(C(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)oc2ccccc12 257320553 VXINDUONMXRHIQ-CQSZACIVSA-N 323.396 3.559 0 40 DHAB COc1ccc(-c2ccc(OC(=O)c3cccc(C)c3)nn2)cc1 408529692 NSABHYWKIGXODK-UHFFFAOYSA-N 320.348 3.680 0 40 DHAB Cc1ccc2nc(N3CC(COc4cccnc4)C3)sc2c1 2298224375 PNTIZIDUSMMXAO-UHFFFAOYSA-N 311.410 3.515 0 40 DHAB CCOC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1N 224906 LPDAHHYEWASLGO-UHFFFAOYSA-N 314.819 3.681 0 40 DHAB CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCN=C31 486153 NASIUFHIYPOURM-UHFFFAOYSA-N 307.441 3.937 0 40 DHAB biogenic Cc1cc(C)n2nc(NCc3cccc4ccccc34)nc2n1 2362904 YMZQOVXZHLUXCR-UHFFFAOYSA-N 303.369 3.506 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(F)cc1 2657648 BHODCZLKMSHQNW-UHFFFAOYSA-N 323.371 3.558 0 40 DHAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(C)=O 2889578 OOLKQPURDAIQPB-UHFFFAOYSA-N 309.774 3.814 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2c(F)cccc2Cl)c1 3336862 AYVBNCYUQJXCTO-UHFFFAOYSA-N 321.735 3.826 0 40 DHAB Cc1ccc2[nH]/c(=N\C(=O)CC34CC5CC(CC(C5)C3)C4)[nH]c2c1 4019625 KVXIOCFWXDXUFD-UHFFFAOYSA-N 323.440 3.838 0 40 DHAB FC(F)Oc1ccc(NC(=S)NC2CCCCC2)cc1 4134942 YZKJOZDBBQGSRT-UHFFFAOYSA-N 300.374 3.907 0 40 DHAB Cc1cc2cc(CNC(=O)c3c(F)cccc3F)ccc2[nH]1 4138051 NEIIFCLNGDNKFL-UHFFFAOYSA-N 300.308 3.685 0 40 DHAB S=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4856987 RSUHUEUPLLOEOC-ZXFUBFMLSA-N 315.486 3.521 0 40 DHAB CC(C)(C)C(=O)CSc1ncnc2sc3c(c12)CCC3 5212768 WWEQYTGVJNSWDR-UHFFFAOYSA-N 306.456 3.887 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)OCC(=O)c1c[nH]c2ccccc12 6839680 ZCXZVLKOYHSDRX-JXMROGBWSA-N 323.323 3.746 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc3ccccc3s2)c1C 6901586 ACCKNSPVPAYCJS-UHFFFAOYSA-N 313.382 3.696 0 40 DHAB Oc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 8297568 DDFYRDVXGGGRAV-UHFFFAOYSA-N 311.362 3.954 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccccc1F 8726129 WCZFNZCOISNUEP-LBPRGKRZSA-N 303.333 3.549 0 40 DHAB CCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 8748193 JFQUFRQVCKTHCP-UHFFFAOYSA-N 321.377 3.646 0 40 DHAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)CC(C)(C)C3 9047218 DLEJCSRNGLLTDI-UHFFFAOYSA-N 320.396 3.509 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503777 UZWBECPRXUNDMK-CQSZACIVSA-N 323.371 3.722 0 40 DHAB O=C(c1cccnc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188059 DJTSBVRRRNDOBM-GOSISDBHSA-N 317.392 3.650 0 40 DHAB CC(C)(C)c1cn2nc(NCc3ccc(F)cc3)sc2n1 12544448 SBJUOYDUJZARCF-UHFFFAOYSA-N 304.394 3.840 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)c2ccccc2C)cc1 14185814 MAIDQLNQBZZMHA-UHFFFAOYSA-N 310.441 3.767 0 40 DHAB COc1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 15693743 PPNBQQYOTQHROD-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 18212555 MWRYNUOPXRCBLL-HNNXBMFYSA-N 323.436 3.994 0 40 DHAB CCOc1ccc(C(=O)O)cc1COc1cc(C)cc(C)c1 24549182 FKPFHFNISFNEPS-UHFFFAOYSA-N 300.354 3.979 0 40 DHAB COc1cccc2c1N(C(=O)c1ccc(F)c(F)c1)CCC2 30575194 FPOCMXBCRIESSL-UHFFFAOYSA-N 303.308 3.566 0 40 DHAB COc1ccc(F)cc1C(=O)Nc1ccc(C)c2ncccc12 31096743 KDHZCMNYKSAHSF-UHFFFAOYSA-N 310.328 3.943 0 40 DHAB NC(=O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 32806231 PIAOSWDGRHQKBY-UHFFFAOYSA-N 316.666 3.645 0 40 DHAB Cc1cc(N2CCC[C@H](c3nc4ccccc4o3)C2)nc(C)n1 32923585 UWJAWOBQJCPBKL-AWEZNQCLSA-N 308.385 3.619 0 40 DHAB N#Cc1ccccc1COc1ccc(/C=C/C(=O)O)cc1Cl 33597865 WHSSDXGEBBDPEC-SOFGYWHQSA-N 313.740 3.888 0 40 DHAB O=c1[nH]c(-c2cccc(F)c2)nc2sc3c(c12)CCCC3 36611330 CAUHVJWNCDBKQM-UHFFFAOYSA-N 300.358 3.670 0 40 DHAB CC(C)(C)n1cc(CNc2ccc(Cl)c(C(=O)O)c2)cn1 37314617 UPXDSWZJNOSYNP-UHFFFAOYSA-N 307.781 3.602 0 40 DHAB CC(=O)Nc1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 41724885 GSGBKZUWPRFLSD-UHFFFAOYSA-N 317.389 3.901 0 40 DHAB CCc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 44839001 JKMLWJNYSNBWLT-UHFFFAOYSA-N 319.408 3.878 0 40 DHAB CCOC(=O)N(C)c1ccc(NC(=O)c2sccc2C)cc1 54313189 JIFCZWDOQWYWRO-UHFFFAOYSA-N 318.398 3.902 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)c1nc(C2CC2)no1 55151703 WBMBJHIJBGKMNB-GFCCVEGCSA-N 323.400 3.923 0 40 DHAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C)cc1 58061130 VGJMUWNJMBXZQJ-CZUORRHYSA-N 305.418 3.507 0 40 DHAB CC(C)CNC(=O)CN(C)c1ccc(Oc2ccccc2)cc1 58160153 LMZWVABNPKPRQD-UHFFFAOYSA-N 312.413 3.687 0 40 DHAB COCc1nc(-c2ccc(NC(=O)C(C)C)cc2)c(C)s1 58245356 PVCPOOJYRFBTMG-UHFFFAOYSA-N 304.415 3.859 0 40 DHAB CCc1csc([C@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n1 72282255 LKJXNIZAFGNNPX-KGLIPLIRSA-N 304.459 3.768 0 40 DHAB CN(C)CCCCC(=O)Nc1ccccc1OC1CCCC1 74224189 VMRPSWBSAOSVMI-UHFFFAOYSA-N 304.434 3.678 0 40 DHAB CCN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](C)COC 78780327 NFHFSTYUQAOGBO-AWEZNQCLSA-N 309.409 3.755 0 40 DHAB O=C(Nc1ccccc1N1CCCCCC1)C1=CCCCO1 78899798 IDNOULDVQXXRLB-UHFFFAOYSA-N 300.402 3.700 0 40 DHAB COc1ccc(C)cc1NC(=O)c1[nH]nc(C2CC2)c1Cl 79074472 JYNAXXYMPBKTFN-UHFFFAOYSA-N 305.765 3.510 0 40 DHAB CC(C)c1nnc(C[S@](=O)c2ccc3ccccc3c2)o1 79105056 KFPGHCBHVXTHAN-OAQYLSRUSA-N 300.383 3.654 0 40 DHAB Cc1ccc([C@@H](O)CN[C@@H](C)c2ccccc2-n2cccn2)cc1 84148698 QYBFIDPEFVGDFE-JXFKEZNVSA-N 321.424 3.565 0 40 DHAB CC(C)N1CCC(OC(=O)c2cccc(C(F)(F)F)c2)CC1 89870057 YPZCODGSQOSFIM-UHFFFAOYSA-N 315.335 3.735 0 40 DHAB Cc1cc(C)c(-c2cn3c(C)c(C(=O)O)sc3n2)cc1C 95095767 AKEHUWGCWFCMAK-UHFFFAOYSA-N 300.383 3.995 0 40 DHAB CN1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12 96058420 VXWFTHKDKWPKSE-LEWJYISDSA-N 324.443 3.674 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c(C)c1 96659193 ITJLAOSPFQXSNU-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(F)c21 100909200 HXVFAPRNSDVQKQ-MNDPQUGUSA-N 318.348 3.742 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Nc1nnc(C3CC3)s1)C2 102160528 YUCBHUFTHHLIPC-USBNGQNGSA-N 320.462 3.752 0 40 DHAB CC(C)(C)OC(=O)c1ccc2ccc(Br)cc2n1 118701607 FZAGFQGLHLGLPK-UHFFFAOYSA-N 308.175 3.953 0 40 DHAB Cn1nccc1CNC(=O)Nc1ccc(SC(C)(C)C)cc1 171320992 HEBKUQVZYLWYOZ-UHFFFAOYSA-N 318.446 3.632 0 40 DHAB C[C@@H]1C[C@@H](c2cccnc2)N(Cc2nc3ccccc3n2C)C1 190961516 BUVJDJZXNPLQCC-KDOFPFPSSA-N 306.413 3.551 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 195543017 CKDOXQLTSQDWES-ZOMKSWQUSA-N 309.413 3.663 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1cc(C)ccc1C 225993937 JYXWNOXYZHDIPA-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB CCN(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 255187594 FNHWMFVGFHLYHG-UHFFFAOYSA-N 323.845 3.640 0 40 DHAB Cn1cc(-c2ccc(CNC[C@@H]3CCc4ccccc43)s2)cn1 509468583 FFMCMBMXRBGGCO-HNNXBMFYSA-N 323.465 3.968 0 40 DHAB Fc1ccc(OC[C@@H]2CCN(c3ccnc4ccccc34)C2)nc1 1889191445 WGPBAZRUTDLHCF-CQSZACIVSA-N 323.371 3.674 0 40 DHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Oc1ccccc1 547172 SIHLDKUDKYHNRL-UHFFFAOYSA-N 324.336 3.874 0 40 DHAB Clc1cccc(Cn2nnnc2-c2cccc(Cl)c2)c1 1405230 WTIUOOIAEWTXEO-UHFFFAOYSA-N 305.168 3.695 0 40 DHAB CN(C(=S)NC(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 2136828 MZHJDIIALSJEHS-FMIVXFBMSA-N 320.433 3.505 0 40 DHAB O=C(c1ccc(CN2CCCC2)cc1)c1cc(F)c(F)c(F)c1 2514591 BKXMGIRCUCLVOK-UHFFFAOYSA-N 319.326 3.931 0 40 DHAB O=C(c1cc(F)c(F)c(F)c1)c1ccccc1CN1CC=CC1 2515918 NFOUCKVGRDBPHJ-UHFFFAOYSA-N 317.310 3.707 0 40 DHAB COc1ccc(NCC(=O)c2ccc(Br)cc2)cc1 2550179 DMQDKFHMRVPIRG-UHFFFAOYSA-N 320.186 3.753 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)Cn1c(=O)oc2ccccc21 2651227 YBCKCCJFKIHVAJ-UHFFFAOYSA-N 324.380 3.531 0 40 DHAB COc1ccc(CCNC(=O)c2csc3c2CCCC3)cc1 2708089 UJGWPBVCZNBHPD-UHFFFAOYSA-N 315.438 3.608 0 40 DHAB O=C(/C=C/c1cccc(Br)c1)Nc1nccs1 3549700 OETCSPNSURQWEN-SNAWJCMRSA-N 309.188 3.558 0 40 DHAB COc1ccccc1CNC(=O)c1cc2ccccc2cc1OC 3609108 RYXRRRCLAHXRHG-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)cc1 4201488 CQRNGLUAFREIDQ-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CCCCCC[C@@H]1NC[C@@H](C(=O)O)c2c1[nH]c1ccccc21 5418427 OSWZLRKYNFSNQM-HIFRSBDPSA-N 300.402 3.951 0 40 DHAB CCCC[C@@H](CC)C(=O)NCCc1ccc(OC)c(OC)c1 5466628 OAYGNGUTCQAGRF-OAHLLOKOSA-N 307.434 3.579 0 40 DHAB CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 5917567 FKWHJGAVFIBNSL-UHFFFAOYSA-N 322.474 3.881 0 40 DHAB CCc1nnc(S/C(=C\c2ccccc2Cl)C(=O)O)o1 7342678 YFDGBLXJXUDAQE-YFHOEESVSA-N 310.762 3.503 0 40 DHAB NC(=O)c1ccccc1OCc1csc(-c2ccsc2)n1 7637496 FPNHOPXPVHTANB-UHFFFAOYSA-N 316.407 3.550 0 40 DHAB CC(C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 8709115 OKEABNMLUYEYPS-UHFFFAOYSA-N 310.806 3.612 0 40 DHAB Cc1cc(C)c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)c(C)c1 8744767 QCRKPSUNOBBBSY-MRXNPFEDSA-N 311.381 3.809 0 40 DHAB CN(Cc1ccco1)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 8745128 NGVGICKRZONQMX-UHFFFAOYSA-N 315.760 3.595 0 40 DHAB Cc1c(C)n(C[C@@H](O)CNC2CCCC2)c2c(Cl)cccc12 12421922 GOGHZKVDZPUKCV-HNNXBMFYSA-N 320.864 3.805 0 40 DHAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccncc3)cc12 12549001 LSBGNAASBHCMDR-UHFFFAOYSA-N 314.414 3.710 0 40 DHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(SC)cc2)cc1 12679959 RYWNDIHVLIJTBB-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB CC(C)C[C@H](CNCc1ccccc1C(F)(F)F)N(C)C 20009730 QDSUNGHXHVKRNA-CQSZACIVSA-N 302.384 3.771 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 20041622 GPHMUSHGUIBJKG-CQSZACIVSA-N 311.381 3.858 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)NCCSC(C)(C)C 20046000 FAJQMFMHLPGCTF-AWEZNQCLSA-N 309.475 3.800 0 40 DHAB Cc1ccc(CS(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1 20493935 OYLDANJRUYVIHS-UHFFFAOYSA-N 323.845 3.610 0 40 DHAB CC(=O)Nc1ccc(/C=C/C(=O)OCc2cccc(F)c2)cc1 25870701 MPWDIUOBUKMGRR-JXMROGBWSA-N 313.328 3.541 0 40 DHAB C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1cnn(C)c1 27919796 UWMBAEHTJPBEJN-CQSZACIVSA-N 321.380 3.703 0 40 DHAB O=C(OCc1cccc(F)c1)c1cc(-c2ccccc2F)no1 28578877 USOFWFQUTBKQTC-UHFFFAOYSA-N 315.275 3.977 0 40 DHAB COc1cc(C(=O)N(C)Cc2ccc(C)o2)cc(Cl)c1OC 29269824 DQMBAUDNNZVRLY-UHFFFAOYSA-N 323.776 3.531 0 40 DHAB O=C(Nc1ccccc1F)c1ccc(N2CCCCC2=O)cc1 32784536 NVBPEGPQLZVFMO-UHFFFAOYSA-N 312.344 3.595 0 40 DHAB Cc1ccc2c(c1)S[C@@H](C(=O)N(C)Cc1ccsc1)C2 32879952 BJRVHSGLSKVPSI-OAHLLOKOSA-N 303.452 3.732 0 40 DHAB C[C@@H](NC(=O)Cc1cccc(F)c1)c1cccc(OC(F)F)c1 32930436 GFQRHXMSCMYXLQ-LLVKDONJSA-N 323.314 3.847 0 40 DHAB C[C@H](NC(=O)Cc1cccc(F)c1)c1cccc(OC(F)F)c1 32930437 GFQRHXMSCMYXLQ-NSHDSACASA-N 323.314 3.847 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1 36623441 JOHHGBUJFGOKJJ-CYBMUJFWSA-N 313.397 3.757 0 40 DHAB Cc1cc(NC(=O)CCSC/C=C/c2ccccc2)no1 40067397 FORFJFCARQYASX-VMPITWQZSA-N 302.399 3.758 0 40 DHAB O=C(NCCSC1CCCC1)c1ccc(Cl)cc1F 40082603 QHBCDMKHPANXDI-UHFFFAOYSA-N 301.814 3.885 0 40 DHAB COCCN(Cc1coc(-c2cccc(Cl)c2)n1)C1CC1 40120805 IEEWJJCCNUGHOR-UHFFFAOYSA-N 306.793 3.606 0 40 DHAB Cc1nsc2nc(-c3ccc(Cl)cc3Cl)oc(=O)c12 40464782 DXPOOKBFGGTWQZ-UHFFFAOYSA-N 313.165 3.927 0 40 DHAB C[C@H](Sc1nc2ccsc2c(=O)n1C)c1cccc(F)c1 57497052 NZQFHPMESZKRRR-VIFPVBQESA-N 320.414 3.987 0 40 DHAB CC(C)C[C@H](NC(=O)c1c[nH]c(=O)c(Cl)c1)c1cccs1 58209698 LRALUKISSIOBGK-LBPRGKRZSA-N 324.833 3.607 0 40 DHAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@H]2CCCC[C@@H]21 58418812 AZQFNKYMBRLIAG-QAPCUYQASA-N 321.424 3.938 0 40 DHAB Cc1csc(-c2cccc(NC(=O)NCc3cccnc3)c2)n1 71855079 OUYHKNVGNHWZLO-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB CCCNc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72213141 OCHZIXQISLPVLR-KRWDZBQOSA-N 309.413 3.881 0 40 DHAB COc1ccc(C)cc1C(=O)NC[C@H](c1cccnc1)C(C)C 75107311 CFARNYQIQHYBHP-KRWDZBQOSA-N 312.413 3.568 0 40 DHAB CCCOc1cccc(C(=O)N2CC[C@@H](OCCC(C)C)C2)c1 79049048 NAKHZMGDCXPKCT-GOSISDBHSA-N 319.445 3.753 0 40 DHAB C[C@@H](NC(=O)Nc1cn(C)nc1-c1ccccc1)c1ccccc1 95460771 ZEIXZLMFFNIMCV-CQSZACIVSA-N 320.396 3.970 0 40 DHAB CO[C@H](CNC(=O)CCc1ccccc1F)c1ccc(C)s1 96104770 IHRNHZWSJHQJNO-OAHLLOKOSA-N 321.417 3.632 0 40 DHAB CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1cccnc1 108354143 SYJCPUSUXBUERJ-BPLDGKMQSA-N 307.463 3.506 0 40 DHAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(N)c1 216877925 IRWGYCVVDCFULH-UHFFFAOYSA-N 320.776 3.582 0 40 DHAB Cc1ccc(CC(=O)Nc2nnc(SC(C)C)s2)cc1C 225417065 YZMVBKWNXFHKIY-UHFFFAOYSA-N 321.471 3.837 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)CCc1ccccc1F 225585160 VMODGJQYQBVJGB-KRWDZBQOSA-N 320.452 3.529 0 40 DHAB Cc1ccc(-c2nnsc2C(=O)NC2CCCCC2)cc1 225772762 JYNLNFFVSYMNKF-UHFFFAOYSA-N 301.415 3.576 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@@H](O)C(=O)CC[C@]34C)[C@@H]1CCCC2=O 245190551 PSDYUQOKDCQVKL-JVAXSNDZSA-N 318.457 3.528 0 40 DHAB CC1(CC(=O)N[C@@H](CO)c2cccc(Cl)c2F)CCCC1 585084737 FAUARMBAVPJOGE-ZDUSSCGKSA-N 313.800 3.599 0 40 DHAB O=C1CCC[C@H]2CC3(CC[C@@]12Cc1ccccc1)OCCO3 1547139901 YHNPNGQPFVRVNG-WMZOPIPTSA-N 300.398 3.512 0 40 DHAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(CC2CC2)C1 1776000450 DTZVLBQPOKYIHY-CYBMUJFWSA-N 314.351 3.601 0 40 DHAB CCN1C(=O)S/C(=C/c2cn(CC)c3ccccc23)C1=O 982276 YWPZCTAXGUOBND-NTEUORMPSA-N 300.383 3.717 0 40 DHAB O=C(O)COc1ccc(-c2ccc(Br)cc2)cc1 1621398 YODNNWPVVVCJGV-UHFFFAOYSA-N 307.143 3.580 0 40 DHAB COc1cccc(C(=O)c2ccccc2CN2CCCCC2)c1 2515492 UXFRVCZRFLDKJW-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1C(C)(C)C 2532893 BXGXPPXTLUSKMR-CVEARBPZSA-N 305.462 3.598 0 40 DHAB COc1ccccc1C(=O)OCC(=O)c1c(C)cc(C)cc1C 3321094 LKTYKMFVVPYXGW-UHFFFAOYSA-N 312.365 3.660 0 40 DHAB CC(C)(C)c1ccc(OCCN2C(=O)C(=O)c3ccccc32)cc1 4503902 LXKCZZYVXCGCRP-UHFFFAOYSA-N 323.392 3.592 0 40 DHAB CC1(C)N=C(c2ccccc2)C(=S)N1C(=O)c1ccccc1 4891928 JPVUBDGBPXBWPU-UHFFFAOYSA-N 308.406 3.695 0 40 DHAB C[C@@H](NC=O)c1nc2ccccc2n1C/C=C\c1ccccc1 5235859 DWHGURBJURRFMY-YYRKOSNBSA-N 305.381 3.557 0 40 DHAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc2ccccc12 5780107 QSQWNQVLIWNBEM-ZDUSSCGKSA-N 324.405 3.593 0 40 DHAB CCOc1ccc(Oc2coc3c(C)c(O)ccc3c2=O)cc1 5906619 GSDSXSRSLWFBER-UHFFFAOYSA-N 312.321 3.998 0 40 DHAB Cc1csc(NC(=O)Cc2cccc(C(F)(F)F)c2)n1 6377086 FRUJPJBEEDYXDC-UHFFFAOYSA-N 300.305 3.652 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)S[C@@H](C)C(=O)N2 6678490 ZWONHGGXXVOGRQ-QPUJVOFHSA-N 307.806 3.535 0 40 DHAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 8086114 GPCVUVVWFKDNSQ-SNVBAGLBSA-N 303.745 3.560 0 40 DHAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1sccc1C 8310034 BVEBFTYIFMEELY-CYBMUJFWSA-N 318.442 3.524 0 40 DHAB O=C(OCc1cccc(Cl)c1)c1cncn1-c1ccccc1 8393853 AAMNQLCHPBSMEB-UHFFFAOYSA-N 312.756 3.883 0 40 DHAB COc1ccccc1[C@H]1CC(=O)c2cnn(-c3ccccc3)c2C1 8570257 ZYIDAJFNBIJVHF-CQSZACIVSA-N 318.376 3.794 0 40 DHAB O=S(=O)(Oc1cc(Cl)ccc1Cl)c1cccs1 11851870 JXMVHAMKOFKONL-UHFFFAOYSA-N 309.195 3.823 0 40 DHAB c1ccc(CCN(Cc2ccncc2)Cc2ccccn2)cc1 13990070 XOMFMNNPTONNKO-UHFFFAOYSA-N 303.409 3.722 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 14219319 MUZCGCRPJTWFHK-HNNXBMFYSA-N 303.427 3.651 0 40 DHAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C2CCCC2)c(C)c1 14228769 AKURGNWJNSUVLF-CQSZACIVSA-N 303.402 3.672 0 40 DHAB Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(C)c(C)c1C 16780070 OLBITISXENOUQD-BZNIZROVSA-N 309.475 3.777 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 18141961 PLAVOPHKJOMCNG-OKILXGFUSA-N 302.418 3.543 0 40 DHAB Cc1cc(-c2cnc(NC3CCCC3)nc2[C@@H]2CCCO2)on1 19122651 AEEUPYDBMWWBCE-AWEZNQCLSA-N 314.389 3.646 0 40 DHAB O=C1O[C@@H](N2CCC(Cc3ccccc3)CC2)c2ccccc21 19842911 GQKCVSWYEGQAPO-LJQANCHMSA-N 307.393 3.810 0 40 DHAB Fc1ccccc1Cc1nnc2sc(Cc3ccccc3)nn12 19910039 WNOOBEGOOVFLCK-UHFFFAOYSA-N 324.384 3.507 0 40 DHAB O=c1c(NCc2cccs2)nccn1-c1ccc(Cl)cc1 21536940 CRIKQVWUJBMTCS-UHFFFAOYSA-N 317.801 3.560 0 40 DHAB CCN(CC)c1nc(Nc2ccc(C)c(C)c2)c2cnn(C)c2n1 21873393 SKTGADMXTMQAJJ-UHFFFAOYSA-N 324.432 3.570 0 40 DHAB CN(C(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1 32642560 UCWPMXFSHQVZJY-UHFFFAOYSA-N 322.433 3.939 0 40 DHAB O=C(NCC1CC1)c1ccccc1C(=O)c1ccc(Cl)cc1 32909833 YIBPVKAYIVKVCQ-UHFFFAOYSA-N 313.784 3.711 0 40 DHAB COc1ccc2cc(C(=O)Nc3cc(C)cc(C)c3)c(=O)oc2c1 33809262 SHFLKVLFLHTCLC-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB CCOCc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1 36392343 KOADGXRDTFWIJL-HNNXBMFYSA-N 312.413 3.784 0 40 DHAB C[C@H](CN1CCCC1=O)NCc1sc2ccccc2c1Cl 37997676 DVYBBRXKJVFAEZ-LLVKDONJSA-N 322.861 3.655 0 40 DHAB CC(=O)c1c(Nc2ccc(Br)cc2)cc(C)oc1=O 41124494 DRCYHCLNTTWTQL-UHFFFAOYSA-N 322.158 3.657 0 40 DHAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1c1ccsc1 44940778 GLLXLFHEOSCCLR-MRXNPFEDSA-N 309.394 3.669 0 40 DHAB O=C(COc1ccccc1F)NCc1ccc2ccccc2c1 45201295 NFBGDOXGRQPMDC-UHFFFAOYSA-N 309.340 3.674 0 40 DHAB Cc1nc(-c2ccc(NC(=O)NCc3ccccn3)cc2)cs1 53249767 XDACXZZBOLYIOU-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB CC(C)c1nnc(SCCOc2ccccc2)n1C1CC1 54146931 PMCNPYWRUXLFQV-UHFFFAOYSA-N 303.431 3.908 0 40 DHAB CCn1nc(C)c2ncnc(N[C@@H]3CCCc4ccccc43)c21 57312432 SXPVFBPEVSSNNR-OAHLLOKOSA-N 307.401 3.644 0 40 DHAB CC(C)c1n[nH]c(NC(=O)c2cc(Cl)sc2Cl)n1 58332804 NQEXOOYEMPCRFU-UHFFFAOYSA-N 305.190 3.549 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@H]1C[C@H]1c1ccc(F)cc1 69753512 NLJSFSIGGQZNGW-GJZGRUSLSA-N 316.401 3.580 0 40 DHAB Cc1nc(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cs1 71884561 PCCJGIDLUWOGGR-KGLIPLIRSA-N 306.818 3.525 0 40 DHAB O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc[nH]1 72286100 GQYVTIQEGYOXOW-HSZRJFAPSA-N 324.405 3.575 0 40 DHAB CN(C)Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1 73553335 LNPLWMHRKHEDTH-FQEVSTJZSA-N 322.452 3.596 0 40 DHAB Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C(N)=O)cc2)o1 76120597 WJDJWQUPNWNYDY-SUMWQHHRSA-N 312.413 3.660 0 40 DHAB COc1cccc(C2(CN[C@@H](C)c3nnc(C)o3)CCCC2)c1 79030782 OOQVGQTUHQDHRC-ZDUSSCGKSA-N 315.417 3.549 0 40 DHAB Cc1csc(CNc2cccc(Cl)c2N2CCOCC2)n1 88523695 BZWALBATQPNTBI-UHFFFAOYSA-N 323.849 3.554 0 40 DHAB COCc1ccc(CNc2ccc(N(C)C(=O)OC)cc2)cc1 89365235 RPAPBMRPSHAMIK-UHFFFAOYSA-N 314.385 3.648 0 40 DHAB Cc1cccc(N2CCN(CCOc3c(C)cccc3C)CC2)c1 89672763 ZIMPUXYCWDIMKW-UHFFFAOYSA-N 324.468 3.813 0 40 DHAB C[C@H](c1cccs1)[S@@](=O)Cc1cnn(-c2ccccc2)c1 89910218 OLGGKGICHNUMOF-LRTDBIEQSA-N 316.451 3.944 0 40 DHAB c1csc(-c2n[nH]c(CSc3nnc(C4CC4)s3)n2)c1 93904312 MUFKMHYNOLMYRR-UHFFFAOYSA-N 321.456 3.554 0 40 DHAB O=C(Nc1ccc(CNc2ccccc2)cc1)[C@@H]1CCCOC1 95407008 YVIGKYXERGIRIY-MRXNPFEDSA-N 310.397 3.664 0 40 DHAB CCSCc1ccc(C(=O)N2CCC[C@H]2c2ncc[nH]2)cc1 95458564 SHGYTMJZUMHENZ-HNNXBMFYSA-N 315.442 3.640 0 40 DHAB O=C(CCSc1nc2ccccc2o1)NC1CCCCC1 95481994 IYTCBHJVEKZEPI-UHFFFAOYSA-N 304.415 3.759 0 40 DHAB COc1ccccc1[S@@](=O)Cc1coc(-c2ccccc2)n1 95953342 JIBWFJORYZRTLR-JOCHJYFZSA-N 313.378 3.658 0 40 DHAB COc1ccc(O)cc1[C@H](C)N[C@H]1CCc2c(F)cccc21 96006904 RMWLNTJSFFBVFH-GTNSWQLSSA-N 301.361 3.878 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@H](c2ccn[nH]2)C1 96024828 VMJNKVWVRPSLCE-ZDUSSCGKSA-N 311.410 3.644 0 40 DHAB O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 96411061 HGTUXKZZRJNRHC-JSGCOSHPSA-N 319.298 3.505 0 40 DHAB Cc1csc(N(C(=O)c2[nH]nc(C3CC3)c2Cl)C2CC2)n1 96468177 FPBOCBNJOUSLEG-UHFFFAOYSA-N 322.821 3.515 0 40 DHAB Cc1ccc(NC2CCN(C(=O)c3ccoc3)CC2)cc1Cl 97032352 WHHWPTINVIDFSC-UHFFFAOYSA-N 318.804 3.958 0 40 DHAB COc1ccc([S@@](=O)Cc2ncc(Cl)cc2Cl)cc1 97094854 CWJMJZVCBWINBM-LJQANCHMSA-N 316.209 3.705 0 40 DHAB CC(=O)c1csc(C(=O)Nc2cc(F)ccc2C(C)=O)c1 97107034 NAMCILXXKPZYIV-UHFFFAOYSA-N 305.330 3.545 0 40 DHAB Cc1cc(C)nc(NC(=O)N[C@H](c2nc(C)cs2)C2CC2)c1 97378768 HWKABBDDEIRZQJ-AWEZNQCLSA-N 316.430 3.736 0 40 DHAB C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 100055269 XNBAAZXHOCDGQL-GJGMSUAZSA-N 322.191 3.695 0 40 DHAB CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)c1cccnc1 154027136 FAQBNHALURRGKW-NSHDSACASA-N 308.337 3.773 0 40 DHAB Cc1ccnc(NCc2cccc(I)c2)c1 199714389 JYCBKLDCLMXOFD-UHFFFAOYSA-N 324.165 3.607 0 40 DHAB CCCCOCc1cc(C(=O)NCCC(C)C)ccc1OC 224442007 HVPPEJYCLAMQRI-UHFFFAOYSA-N 307.434 3.788 0 40 DHAB COc1ccc(Cl)cc1C[C@@H](Oc1cccc(C)c1)C(=O)O 225119789 BESOQHJQQUTLKB-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB O=C(Nc1cccc(Br)c1Cl)c1cscn1 225783686 NFLSAXNFMYCGMP-UHFFFAOYSA-N 317.595 3.811 0 40 DHAB Cc1cccc(NC(=O)c2snnc2-c2cccs2)c1 225787580 INSCZBJEVZJKLO-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB Cc1ccc(N)cc1-c1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)o1 226301088 QNMNIOHZYUZPQF-BETUJISGSA-N 312.413 3.955 0 40 DHAB CCCOc1cccc(C(=O)Nc2ccc(OCC)cc2N)c1 226349341 NGDWPCPEOWCFES-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 250464620 FGLOMJVAZHMBEL-AESZEHBQSA-N 301.430 3.882 0 40 DHAB c1ccc2c(C[C@H]3CCN(Cc4cncs4)C3)ccnc2c1 257272819 NDZMJIFTPZZVGF-CQSZACIVSA-N 309.438 3.756 0 40 DHAB Cc1cccc(C[C@@H]2CCCN(Cc3scnc3C)C2)n1 257277372 NXSOXVHHAKFKJN-HNNXBMFYSA-N 301.459 3.610 0 40 DHAB O=C(Nc1cccc(C(F)F)c1Cl)N1CCSCC1 390833818 NNNBWZKODYJWDQ-UHFFFAOYSA-N 306.765 3.858 0 40 DHAB COCCCn1nccc1/C=C(\Cl)c1nc2ccccc2o1 585080773 MJSAPJACHHLJIA-QBFSEMIESA-N 317.776 3.798 0 40 DHAB O=C1O[C@H](c2ccc(Br)cc2)O[C@H]1c1ccccc1 64900 HXUYARVRVOCELX-DZGCQCFKSA-N 319.154 3.762 0 40 DHAB O=C(O)C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 249095 GALFHKTZOYSLSQ-CYBMUJFWSA-N 317.772 3.612 0 40 DHAB Cc1ccc(Cn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1 425288 RAVIBCVVYZBFKR-UHFFFAOYSA-N 300.358 3.555 0 40 DHAB CCOC(=O)[C@@H]1CC2(CC[C@H]1N)c1ccccc1-c1ccccc12 1690272 ZXMLXVVRBMOTQI-VQIMIIECSA-N 321.420 3.644 0 40 DHAB Cc1c(Br)cc(Cl)c(O)c1Br 1712814 JFODRSKAZPAWDP-UHFFFAOYSA-N 300.377 3.879 0 40 DHAB CC[C@@H](OC[C@H](O)CN(C)C1CCCCC1)c1ccccc1 2694630 ZYEJBRMTHITMNI-RTBURBONSA-N 305.462 3.780 0 40 DHAB CCCCNC(=S)Nc1ccc(Br)c(C)c1 3231628 IIIYJKDWDJYVFD-UHFFFAOYSA-N 301.253 3.844 0 40 DHAB Cc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1F 3319528 JUYMTNXWVYIPFC-UHFFFAOYSA-N 307.365 3.586 0 40 DHAB COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)ccc2C)cc1 3391298 LTQFBENFMHLWHU-DHZHZOJOSA-N 324.376 3.751 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Oc2cccc3cccnc23)c1 4278956 HWMCCYBPSZGYRL-UHFFFAOYSA-N 313.378 3.619 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 4659306 FULBKSORLOSJCC-JXMROGBWSA-N 315.756 3.779 0 40 DHAB O=C(O[C@@H](C[n+]1ccccc1)c1ccccc1)c1ccccc1 6582110 IIKPBJBYHAJMJY-IBGZPJMESA-N 304.369 3.572 0 40 DHAB C[C@H]1CCCCN1C[C@H](O)COc1cc(Cl)ccc1Cl 6626663 SZXXXOBSIGXURT-AAEUAGOBSA-N 318.244 3.608 0 40 DHAB COc1ccc([C@@H](C)NC(=O)CCc2ccccc2)cc1OC 6824236 VUUYUSWIZOKLSS-CQSZACIVSA-N 313.397 3.514 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1CC(F)(F)F 7113194 JEBRWLJPTACSJX-CQSZACIVSA-N 322.286 3.521 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)oc2C)cc1 7408500 ZWSRLZHWYGOLLA-UHFFFAOYSA-N 314.385 3.631 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1 8041778 STMWDNWLUDEGJD-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB CN(C(=O)/C=C/c1ccc(-n2ccnc2)cc1)c1ccccc1 8342122 DPZYXXHMEHSHJW-FMIVXFBMSA-N 303.365 3.549 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(Cl)ccn1 8881659 VOZPWEOFKYKBIF-UHFFFAOYSA-N 307.737 3.736 0 40 DHAB O=Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 9232091 PYZFJPKOMZSNOH-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB CCCCCc1nnc(NC(=O)c2sc(C)nc2C)s1 9250773 SLTHQXHVJVLKKB-UHFFFAOYSA-N 310.448 3.596 0 40 DHAB Cc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1 9513534 XBHYBURKCJXTLF-UHFFFAOYSA-N 315.380 3.736 0 40 DHAB CN(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1)c1ccccc1 10017722 SHJGRJGIHMCXBW-INIZCTEOSA-N 317.820 3.764 0 40 DHAB Nc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 10537019 QNNLJCOXGZUMLI-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB COc1ccc(-c2cccc(NC(=O)Nc3ccccc3)c2)nn1 11694515 VKPBPXYLKKSXKM-UHFFFAOYSA-N 320.352 3.796 0 40 DHAB O=C(O)[C@@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 11960330 OTVJXTAAEKIZNU-LJQANCHMSA-N 309.409 3.767 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 12520508 DJGDOPNPUDPKAZ-UHFFFAOYSA-N 313.788 3.891 0 40 DHAB 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DHAB Cc1cc2ccc(C)c(C)c2nc1SCCN1CCOCC1 20151155 CPCIQTGMFQTSLE-UHFFFAOYSA-N 316.470 3.584 0 40 DHAB CCC[C@H](NC(=O)[C@@H](C)Sc1ncccn1)c1ccccc1 21174258 UUNZHLLBYHWZLV-HIFRSBDPSA-N 315.442 3.615 0 40 DHAB Cc1noc(C)c1COC(=O)CCc1ccc2ccccc2n1 24194037 XUSOYCBODAHFEG-UHFFFAOYSA-N 310.353 3.516 0 40 DHAB COc1ccc(CSCC(=O)Nc2ccc(F)cc2)cc1 24605884 HCAMYUJLDULNMJ-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB O=C(CC1CCCCC1)NC[C@H]1CCN(c2ccccc2)C1 31236331 LMULPFWWHNPDEA-QGZVFWFLSA-N 300.446 3.600 0 40 DHAB COc1cc(C)c(Cc2cc(OC)c(OC)cc2C)cc1OC 34466271 ZRAINUOVGRPDBP-UHFFFAOYSA-N 316.397 3.929 0 40 DHAB CC(C)c1ccc(CNC[C@@H](O)c2ccc(F)c(F)c2)cc1 40088600 HWILNISDNPPRPU-GOSISDBHSA-N 305.368 3.911 0 40 DHAB COc1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 40946455 QHOHYQVDVOSLLH-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB CC(C)(C)CC(C)(C)NC(=O)CCc1ccc2c(c1)OCO2 42705642 DICGCVRFHXYRMO-UHFFFAOYSA-N 305.418 3.679 0 40 DHAB C[C@H](NCc1cnc(N2CCCC2)nc1)c1cc2ccccc2o1 48683739 NLLGEAHIIDVUCA-AWEZNQCLSA-N 322.412 3.674 0 40 DHAB CC(C)(C)c1ncc(NC(=O)c2ccc(-c3cnco3)cc2)cn1 58416881 ZCRFURJHESOWLK-UHFFFAOYSA-N 322.368 3.681 0 40 DHAB Clc1cc(CN2CCCN3CCC[C@@H]3C2)c2ncccc2c1 65622513 FQPUPHUJTHIGQN-QGZVFWFLSA-N 315.848 3.558 0 40 DHAB Fc1cccc(Cl)c1CSc1ccc(-n2cccn2)nn1 70635214 JQBAIJCZTKGLLA-UHFFFAOYSA-N 320.780 3.747 0 40 DHAB COc1ccc(C)c(NC(=S)Nc2ccc3c(c2)OCO3)c1 71761450 QOALEVWEZHCGJQ-UHFFFAOYSA-N 316.382 3.541 0 40 DHAB CC(C)n1cc(CCCC(=O)Nc2cnn(C)c2)c2ccccc21 72325204 DWABCVJNCYOKDB-UHFFFAOYSA-N 324.428 3.917 0 40 DHAB biogenic Cc1ccc(C(=O)C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)cc1 74584231 PUILBQHKBYZHLK-GFCCVEGCSA-N 315.335 3.613 0 40 DHAB Fc1ccc2ccc(NCc3ccc(-n4ccnc4)nc3)nc2c1 84383515 WKXFKMRPGZFIKW-UHFFFAOYSA-N 319.343 3.567 0 40 DHAB COc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c(F)c1 89432752 CTURZVWCVXATQU-UHFFFAOYSA-N 318.323 3.800 0 40 DHAB CC1=C(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CCC1 89919749 IDLINHCIRHTNFT-UHFFFAOYSA-N 322.836 3.719 0 40 DHAB Cc1ncccc1CN1CC[C@@H](Oc2ccccc2Cl)C1 93838534 VOQCOLOPLJRQPL-OAHLLOKOSA-N 302.805 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DHAB Fc1ccc([C@@H](NCc2nnc(C3CC3)o2)C2CCC2)cc1 69949370 HUNZPHLEHORYDO-INIZCTEOSA-N 301.365 3.717 0 40 DHAB CC(=O)c1cccc(OCc2noc(-c3cccs3)n2)c1 71851825 SSRRDPQCXHZJGP-UHFFFAOYSA-N 300.339 3.580 0 40 DHAB CC(C)Oc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72211957 GDWDXIFUAMUAMW-CQSZACIVSA-N 306.406 3.941 0 40 DHAB O=C(Nc1ccc(F)cc1OCC1CC1)c1ccncc1Cl 73114051 WDAJBSYVRZLPAP-UHFFFAOYSA-N 320.751 3.915 0 40 DHAB CCCOc1cccc(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)c1 75104496 YZIXVMBPKBUQIP-AEFFLSMTSA-N 319.445 3.656 0 40 DHAB CC(C)c1nc([C@@H]2CCCN2c2ncnc3ccsc23)no1 75573016 UMJIPUIORFGLLB-NSHDSACASA-N 315.402 3.539 0 40 DHAB COc1ccc([C@@H]2C[C@H](C)N(Cc3nc(C)c(C)o3)C2)cc1 76391567 BYBMAZJWTHVUAJ-BLLLJJGKSA-N 300.402 3.678 0 40 DHAB CN1CCN(Cc2csc(-c3ccoc3)n2)c2ccccc21 83881739 MRTHQDWHGGOZSQ-UHFFFAOYSA-N 311.410 3.860 0 40 DHAB Cc1ccccc1-c1cc(NCc2cnn(C(C)(C)C)c2)n(C)n1 84247663 FGPUMAQYKHPFTM-UHFFFAOYSA-N 323.444 3.959 0 40 DHAB Cc1cc([C@H](C)NC(=O)NC[C@H](O)c2ccsc2)c(C)s1 89582382 ALZLOJOWSVQJGQ-HZMBPMFUSA-N 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ZDUGOEBNZQGOOH-OAHLLOKOSA-N 307.378 3.803 0 40 DHAB CCCSc1nnc(NC(=O)Cc2ccc(C)cc2C)s1 224563545 KZGGNGSRNUBXHF-UHFFFAOYSA-N 321.471 3.838 0 40 DHAB CCCCNC(=O)c1ccc(OCC)c(COCC(C)C)c1 224733858 DEDSLCDXGLPPNW-UHFFFAOYSA-N 307.434 3.788 0 40 DHAB CCCCc1nc(CN2CCCC[C@@H]2c2[nH]ncc2C)c[nH]1 257213515 CHWIBIMSLGNOJJ-OAHLLOKOSA-N 301.438 3.511 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@@H](Cc4ccn[nH]4)C3)ccc2o1 257227541 FPURDWNPEJGKMT-AWEZNQCLSA-N 323.396 3.559 0 40 DHAB COC(=O)C(C)(C)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260621793 PADLCJHLFSFDEZ-GFCCVEGCSA-N 305.418 3.739 0 40 DHAB COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(C)cc1 422943 BXVXTPNKOBMPNX-DNVCBOLYSA-N 324.380 3.773 0 40 DHAB Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2C)c1 532519 WEOVSALLQGQGSV-UHFFFAOYSA-N 310.426 3.786 0 40 DHAB COc1ccc(-c2nnc3sc(-c4ccccc4C)nn23)cc1 542805 WZJNBNURFQTMHF-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)oc2c1 557729 KFKVEUHAIXNOBL-UHFFFAOYSA-N 323.352 3.655 0 40 DHAB CCOC(=O)c1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 4038269 KKUZIQIRQZLWIA-UHFFFAOYSA-N 313.184 3.973 0 40 DHAB COc1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(OC)c1 4862953 FVYAKXPHDKXQFM-FMIVXFBMSA-N 306.385 3.852 0 40 DHAB Cc1ccc(Cl)c2c1N(Cc1ccc(F)cc1)C(=O)C2=O 5354492 JPECNUALEIOQAD-UHFFFAOYSA-N 303.720 3.517 0 40 DHAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 5464541 AMYBKXZYYOCSCW-LBPRGKRZSA-N 303.333 3.630 0 40 DHAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccncc1 5635437 QIJVBOMOLGITJH-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)C2CCCCC2)c1C 6314711 PHBKPQAFHSRADB-UHFFFAOYSA-N 309.475 3.873 0 40 DHAB Cc1nn(C)cc1CN(C)C(=O)/C=C/c1cccc2ccccc12 6527287 YJEFWVXHPWKNNP-VAWYXSNFSA-N 319.408 3.554 0 40 DHAB COC(=O)C1CCN(C2c3ccccc3-c3ccccc32)CC1 7391008 XZQGMBRECJULDA-UHFFFAOYSA-N 307.393 3.641 0 40 DHAB CCOc1c(Br)cc(CNCC(C)C)cc1OC 8253335 LGXKYOJCMLXYBR-UHFFFAOYSA-N 316.239 3.602 0 40 DHAB Cc1sc2ncnc(NC3CCN(C(C)C)CC3)c2c1C 8329084 UXKYKMBPSCXNFC-UHFFFAOYSA-N 304.463 3.593 0 40 DHAB Cc1nc(/C=C/C(=O)N[C@@H](C)c2ccccc2Cl)cs1 8748337 AZQVDOKRJVBALB-JARNTUPDSA-N 306.818 3.996 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1 8843767 WHPCMJKZTJUOKY-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc(F)c1 9458880 XGRPHKRYFPUIGU-UHFFFAOYSA-N 300.377 3.513 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)NCCc1cccs1 9954793 SBQREZCSEOJDCT-UHFFFAOYSA-N 312.394 3.684 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cn2cccn2)cc1 10642689 HMVSUHSLCGZBQK-UHFFFAOYSA-N 317.392 3.672 0 40 DHAB Clc1ccc(SCc2nnnn2-c2ccccc2)cc1 12569693 VUHOEEHCMLGKPK-UHFFFAOYSA-N 302.790 3.608 0 40 DHAB Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 12749054 ZJBUZLXIRQDZGS-KRWDZBQOSA-N 316.832 3.681 0 40 DHAB Cc1cnc(NC(=O)/C=C/c2ccccc2OC(F)F)s1 12796746 ATSLYWUOZMCQNE-VOTSOKGWSA-N 310.325 3.705 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccsc2)c(OC)c1 12890374 QTWRTDNYRZZPAE-HNNXBMFYSA-N 317.410 3.743 0 40 DHAB CCCc1cc(=O)n2c3ccccc3nc2n1Cc1ccccc1 14165362 BSKOQYWHFIQWBW-UHFFFAOYSA-N 317.392 3.650 0 40 DHAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 14207469 XMXNBIHIIIBNHQ-UHFFFAOYSA-N 307.353 3.646 0 40 DHAB CC(C)c1ccc(C(=O)NC(=S)NCc2ccccc2)cc1 14257718 RRCQKWZYIITTOV-UHFFFAOYSA-N 312.438 3.615 0 40 DHAB COc1ccccc1/C=C/C(=O)N[C@H](C)CCc1ccccc1 14909933 ODBMGCTVSUZIFU-UTZKEFOASA-N 309.409 3.846 0 40 DHAB Cc1ccc(F)cc1NCC(=O)N1CCC[C@@H]1c1cccs1 15292384 TXVLISRYGRXGQW-OAHLLOKOSA-N 318.417 3.971 0 40 DHAB CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1F 19435847 SRTMLTPZRUWIAL-UHFFFAOYSA-N 322.177 3.860 0 40 DHAB O=C(O)c1ccc2oc(-c3ccc(Br)cc3)nc2c1 20158786 OITJUONEGXMEPG-UHFFFAOYSA-N 318.126 3.956 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC3)cc1F 24581296 HGFDYMBZXRFWFL-UHFFFAOYSA-N 313.372 3.595 0 40 DHAB O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCCCC1 24828625 KLGILHCALVTWGC-UHFFFAOYSA-N 321.380 3.758 0 40 DHAB O=c1c2ccccc2[nH]c(=S)n1CCSC1CCCC1 27223972 XMMYJVFSFMPCOI-UHFFFAOYSA-N 306.456 3.735 0 40 DHAB CCOc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 27300412 ZLHFNJCPEHWICZ-UHFFFAOYSA-N 305.401 3.777 0 40 DHAB Cc1cc(NC(=O)Cc2c[nH]c3ccccc23)n(C2CCCC2)n1 32610685 TWCKPIKBPVGSIQ-UHFFFAOYSA-N 322.412 3.969 0 40 DHAB c1ccc(-[n+]2c3c(n4c2SCC4)-c2ccccc2CC3)cc1 35682731 YAEICKRUTOWLIL-UHFFFAOYSA-N 305.426 3.636 0 40 DHAB O=C1[C@@H](Oc2ccccc2)[C@H](c2cccnc2)N1c1ccccc1 40156581 NIWSYXZTOCZBKV-OALUTQOASA-N 316.360 3.617 0 40 DHAB CC(C)Cn1c([C@@H](C)NC(=O)c2cccnc2)nc2ccccc21 40180591 FYVPMACPPXVNKW-CQSZACIVSA-N 322.412 3.578 0 40 DHAB CC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccccc2)cc1 40485607 NVUSPBZJFFOGEB-IBGZPJMESA-N 323.392 3.632 0 40 DHAB CC(C)c1noc(CCCC(=O)Nc2cccc(Cl)c2)n1 40515656 TUOGHRKFDJSMNB-UHFFFAOYSA-N 307.781 3.808 0 40 DHAB CCC[C@@H](C)NC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 48066087 MGATVDRVUZMZMO-CNELAYHGSA-N 304.390 3.573 0 40 DHAB O=C(c1cc(F)cc(F)c1)N1CCC(Nc2ccccc2)CC1 48291936 LPIBMTRDWZGXMC-UHFFFAOYSA-N 316.351 3.682 0 40 DHAB O=C(Cn1ccc2ccc(F)cc21)Nc1cccc2[nH]ccc12 71284356 CXPLJKDNJNMCLX-UHFFFAOYSA-N 307.328 3.900 0 40 DHAB C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ccc[nH]1 71832896 CWACDAOUHIRJHB-GUYCJALGSA-N 300.377 3.696 0 40 DHAB O=C(CSC1=Nc2ccccc2CS1)Nc1ccncc1 75572916 ROFSDIHSWMDSSR-UHFFFAOYSA-N 315.423 3.688 0 40 DHAB CCOc1cc(NC(=O)Nc2c(C)nn(CC)c2C)ccc1C 76069857 VCOZRJANDFOEIT-UHFFFAOYSA-N 316.405 3.871 0 40 DHAB C[C@@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 79438543 CPRORZXBJYSPNC-CABCVRRESA-N 319.449 3.522 0 40 DHAB Oc1ccc(C2CCN(c3nc(C4CC4)ns3)CC2)cc1 80946309 OYQJKGUSFHODTH-UHFFFAOYSA-N 301.415 3.505 0 40 DHAB CC(C)C(=O)c1cc(Br)c(O)c(Br)c1 88120937 MXKAUTQMCIAZOW-UHFFFAOYSA-N 321.996 3.756 0 40 DHAB Cc1ccc(Cn2cccc(NC(=O)c3ccsc3)c2=O)cc1 95436444 FQQIMHCUNYYHSG-UHFFFAOYSA-N 324.405 3.519 0 40 DHAB O=C(O)c1oc2ccc(Br)cc2c1OCC1CC1 96510846 RQORCWAUMFGJQC-UHFFFAOYSA-N 311.131 3.682 0 40 DHAB Cc1ccc(-n2nc(C)c(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)c2C)cc1 102398317 OFJZKXDIGGUYPM-BQFCYCMXSA-N 321.424 3.948 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 108869701 CFAOEUQRNMPLNQ-RFGFWPKPSA-N 307.821 3.660 0 40 DHAB COc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 168155882 XHJOZHKUHNWZAN-BREBYQMCSA-N 310.850 3.824 0 40 DHAB CCc1ccc(OCC(=O)NCCSC2CCCCC2)cc1 218954228 CLNUKUISRTWCKR-UHFFFAOYSA-N 321.486 3.810 0 40 DHAB CCOC(=O)c1ccc(Nc2ccccc2OCC)c(N)c1 225430874 BTUIXLIHAXQXNK-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB O=C(NCc1ccc(Oc2nccs2)cc1)c1cccs1 225646793 VCXSSSAZAJQBTL-UHFFFAOYSA-N 316.407 3.927 0 40 DHAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)C(C)(C)C 226352348 FSBVUVDIUSGSLM-UHFFFAOYSA-N 317.341 3.638 0 40 DHAB O=S(=O)(Cc1ccc(F)cc1)Cc1ccccc1C1CC1 390833218 DUHYEYDYOPCQGW-UHFFFAOYSA-N 304.386 3.818 0 40 DHAB FC(F)(F)COc1ccccc1NCCCc1cnoc1 585116562 AXPSPCDFNCZHCJ-UHFFFAOYSA-N 300.280 3.660 0 40 DHAB CCOC(=O)CCc1c[nH]c2c(F)cc(Br)cc12 1857793082 DRRIBSGKBLEABE-UHFFFAOYSA-N 314.154 3.565 0 40 DHAB CC(=O)Nc1c[nH]c2ccoc2c1=N[C@@H]1CCCC(C)(C)C1 2362804238 ATCYJABJQBSCHH-GFCCVEGCSA-N 301.390 3.589 0 40 DHAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)cc1C 252065 FCQKCVFUEWWNJS-OAHLLOKOSA-N 319.408 3.711 0 40 DHAB COc1ccc(Cc2cnc(NC(=O)CC(C)C)s2)cc1 497850 OXBNDPIGTVJKGU-UHFFFAOYSA-N 304.415 3.727 0 40 DHAB Nn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1 529458 QWZXDMLTWSWBAR-UHFFFAOYSA-N 316.817 3.605 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccc(Br)cn2)c1 558418 STQJDVWSRLXWCV-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB CCOP(=O)(OCC)[C@H]1[C@@H](C)N1C(=O)Nc1ccccc1 1655553 KDAFSJFRCHBLIE-QIAUWCJISA-N 312.306 3.515 0 40 DHAB COc1cccc(C(=O)c2cccc(CN3CCCCC3)c2)c1 2514995 NUTNWMDAVYBCKL-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB CC(C)c1ccccc1OCC(=O)NCc1ccccc1F 2618772 ONIJEMFNYFIEKM-UHFFFAOYSA-N 301.361 3.644 0 40 DHAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 2653108 ONGGLOAPWLCXCH-UHFFFAOYSA-N 303.745 3.560 0 40 DHAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 3257465 IGABYLIIGJJPAL-UHFFFAOYSA-N 323.632 3.870 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCc4ccccc43)cc2)n1 3561119 LIQZWGIOISEFMV-UHFFFAOYSA-N 317.392 3.692 0 40 DHAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C 3590888 VBONECVOVFPHGV-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C1CCCC1 4305037 VIVPKWMVEDKLFS-SFHVURJKSA-N 324.424 3.690 0 40 DHAB Oc1ccccc1-c1nc2ncccn2c1Nc1ccccc1 4734128 ZKXXSVIWSSVGOH-UHFFFAOYSA-N 302.337 3.846 0 40 DHAB Cc1cccc(C(=O)OCc2cc3ccc(C)cc3[nH]c2=O)c1 5158088 YEHTYWBXZCRGMC-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB O=C(NCCc1ccccc1)c1cc2ccccc2nc1Cl 5446634 NVJPOTOKBWRQLD-UHFFFAOYSA-N 310.784 3.861 0 40 DHAB O=C1OC(c2ccncc2)=N/C1=C\c1ccc(Cl)cc1Cl 5567851 NADSZTKVEFQARH-QPEQYQDCSA-N 319.147 3.733 0 40 DHAB CCCNC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 6318192 DVEPBLSMWHSROT-UHFFFAOYSA-N 302.443 3.778 0 40 DHAB CCc1ccc2c(CC(=O)Nc3ccc4c(c3)OCO4)coc2c1 7007540 JNKJAQWRGVVINS-UHFFFAOYSA-N 323.348 3.905 0 40 DHAB CCNc1nnc(SCc2ccc3ccccc3n2)s1 7051182 KKKNFKQUDAIVFF-UHFFFAOYSA-N 302.428 3.810 0 40 DHAB COc1ccc(NC(C)=O)cc1N[C@@H](C)c1ccc(F)cc1 7370390 RPDWSVPOJCINBO-NSHDSACASA-N 302.349 3.966 0 40 DHAB C[C@H]1CCCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 7486547 BBKIQHXVTZGVMS-NSHDSACASA-N 300.324 3.518 0 40 DHAB CC(=O)c1ccccc1NC(=O)CNc1ccc(C)cc1Cl 7972422 KAWUHPTUTMSNPS-UHFFFAOYSA-N 316.788 3.902 0 40 DHAB CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1 8602298 WBJWDBCIFVLEMW-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB CCCCNC(=S)N(Cc1c(C)noc1C)c1ccccc1 8684949 CRNBDNALZRLUNT-UHFFFAOYSA-N 317.458 3.973 0 40 DHAB CCc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 8735725 UGQMUMGXRAJFMG-UHFFFAOYSA-N 312.394 3.546 0 40 DHAB O=C(Cc1ccc2ccccc2c1)NCc1nc2ccccc2[nH]1 9156809 HWNYNBXPCQSZDL-UHFFFAOYSA-N 315.376 3.575 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2onc3c2CCCC3)cc1C 11915003 SVAUFSSUNKPUOZ-ZDUSSCGKSA-N 314.385 3.576 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)N2CCCC2)c1 14559605 FRSHDPSHYXFRHI-VAWYXSNFSA-N 320.392 3.575 0 40 DHAB CCN(CC)CCNCc1ccccc1OCc1ccccc1 19370707 HLBLOACXPXZDOZ-UHFFFAOYSA-N 312.457 3.697 0 40 DHAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccccc1Cl 21524028 RWIQGKBYZGUZKK-UHFFFAOYSA-N 317.732 3.554 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CCC(=O)c2ccc(C)s2)o1 23305777 DKBKWIGLAJRTJG-LBPRGKRZSA-N 305.399 3.798 0 40 DHAB Cn1c(SCc2cccc(Cl)c2)nc2ccsc2c1=O 26098838 KYZAGVMERAPNNT-UHFFFAOYSA-N 322.842 3.941 0 40 DHAB CC(=O)Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 27914032 AKUMTYXPQFDXRZ-UHFFFAOYSA-N 313.357 3.970 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(-n3cccn3)cc2)cc1 27917782 KRDGDCHDUJMXEC-UHFFFAOYSA-N 308.341 3.525 0 40 DHAB CCC(CC)NC(=O)c1ccc(OCc2csc(C)n2)cc1 32743694 NOHJRLHAIDSKMZ-UHFFFAOYSA-N 318.442 3.949 0 40 DHAB CC(C)Oc1ccccc1[C@@H]1CC(O)=Nc2nc(N)sc21 36366380 AOEUECGCIASQSW-JTQLQIEISA-N 303.387 3.636 0 40 DHAB Cc1ccc(-c2csc(NC(=O)c3cccnc3)n2)s1 37104536 WZUCVUUPDQIIOO-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB COC(=O)c1cc(OCc2cccc(OC)c2)c2ccccc2n1 38486568 XVBKHWLDHYQOPJ-UHFFFAOYSA-N 323.348 3.609 0 40 DHAB Cc1cccc(Oc2ccccc2NC(=O)c2ccc(=O)[nH]c2)c1 40160313 KOUFFPVRXQKTQB-UHFFFAOYSA-N 320.348 3.728 0 40 DHAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCOc3ccccc32)o1 42952328 YSASKFYNBMHVIS-HNNXBMFYSA-N 309.369 3.592 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)C1=NO[C@H](c2ccccc2)C1 48253521 MDGKJQZJDHRKLJ-KDOFPFPSSA-N 308.381 3.724 0 40 DHAB Cc1nc(S[C@H]2CCCc3ccccc32)sc1CC(N)=O 48361696 RFNOMYSVMIAHJV-ZDUSSCGKSA-N 318.467 3.649 0 40 DHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccco1 48681098 ZAUGQXZJXOEDKH-UHFFFAOYSA-N 317.339 3.650 0 40 DHAB Cc1ccc(C)c(NC(=S)NCCCOC2CCCC2)c1 57815713 MELBKSFJIWOEPL-UHFFFAOYSA-N 306.475 3.939 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1nccc2ccccc12 58378233 KPLKDZDDBAEJKN-PBHICJAKSA-N 312.413 3.560 0 40 DHAB CC[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(C)C 58413677 XFZYHRSJOVCTRV-CYBMUJFWSA-N 311.809 3.666 0 40 DHAB CCN(C(=O)C1=NO[C@H](c2ccccc2)C1)c1ccccc1C 59423567 RVUJWVTZYQBURO-SFHVURJKSA-N 308.381 3.866 0 40 DHAB Cc1cc(C)c(CNC(=O)N(C)Cc2csc(C)n2)c(C)c1 63798892 BNLWXWWPMZVWFZ-UHFFFAOYSA-N 317.458 3.718 0 40 DHAB CCN(C(=O)c1ccc(Br)cc1F)c1ccncc1 69737215 IKPRAOIQQKRMHL-UHFFFAOYSA-N 323.165 3.650 0 40 DHAB Cc1nc(C)c(C(=O)Nc2c(F)cccc2N2CCCC2)s1 69849405 ZDJIUKPUOXWKMT-UHFFFAOYSA-N 319.405 3.752 0 40 DHAB O=C(Cc1ccccc1)NCc1ccccc1CN1CCCCC1 69897081 FABXQUCLVXOLQT-UHFFFAOYSA-N 322.452 3.531 0 40 DHAB C[C@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H](C)O1 72243326 WMFFGSSIZIUJOL-OKILXGFUSA-N 313.372 3.742 0 40 DHAB C[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccncc1 72314210 JIQDKWZCXROQCK-GFCCVEGCSA-N 322.330 3.563 0 40 DHAB Cc1ccc(SC[C@H]2CCCN2C(=O)OC(C)(C)C)nc1 79440787 IXQNNZZTKFQDQU-CYBMUJFWSA-N 308.447 3.882 0 40 DHAB CC(C)n1cc2cc(NC(=O)CCCc3ccccn3)ccc2n1 84633203 DNSRAGKJDYHBNV-UHFFFAOYSA-N 322.412 3.974 0 40 DHAB Cc1cc([C@H](O)CCNC(=O)c2cccc3ccccc23)c(C)o1 85561423 GIFXASPDZWASSX-LJQANCHMSA-N 323.392 3.903 0 40 DHAB CC(C)[C@H](C)N(C(=O)N[C@@H](c1nccs1)C1CC1)C1CC1 86424640 WQHCPYZSAFVAAT-SMDDNHRTSA-N 307.463 3.813 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2cccc(F)c2)C1 89212727 JCZZTXLCIZXOCS-HNNXBMFYSA-N 322.424 3.562 0 40 DHAB Nc1ncccc1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 89263299 RGVQPIABMWPYGQ-UHFFFAOYSA-N 307.140 3.688 0 40 DHAB O=C(Nc1ccc(CCO)cc1)[C@@H]1CCCC[C@H]1C(F)(F)F 89787518 CGUALFYHKKBPFU-ZIAGYGMSSA-N 315.335 3.529 0 40 DHAB O=C(CCCSc1ccccc1)NCC1(CCO)CCCC1 95416049 KSWNMIKFUKTGTR-UHFFFAOYSA-N 321.486 3.618 0 40 DHAB C[C@H]1CSc2ccccc2[C@H]1NC1CCN(C2CC2)CC1 95427077 ZHTRDQRXRWNSCC-UGSOOPFHSA-N 302.487 3.686 0 40 DHAB Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1Cl 95455767 XVBMWGDACPUUBS-ZDUSSCGKSA-N 319.796 3.526 0 40 DHAB O=S(=O)(Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1F 95460467 XUZWHSMZQNZEKP-UHFFFAOYSA-N 316.357 3.622 0 40 DHAB CC1(C)CC(=O)Nc2ccc(NC(=O)c3cccc(F)c3)cc21 96182974 VTZUVMAZBSCTHE-UHFFFAOYSA-N 312.344 3.698 0 40 DHAB Cc1cc(C)c(OCc2nc(-c3ccc(O)cc3)no2)c(C)c1 97212439 IMOWVEWXZHQIPQ-UHFFFAOYSA-N 310.353 3.946 0 40 DHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100100033 CWSNMGQUGUMPII-CHWQCYJSSA-N 309.409 3.912 0 40 DHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)NC1CCCCCCC1 102158270 KBKOGNNERVBDDK-HRCADAONSA-N 321.461 3.585 0 40 DHAB Cc1nscc1C(=O)N(Cc1ccsc1)c1cccnc1 193499972 MQCFTNJFMLJHFC-UHFFFAOYSA-N 315.423 3.755 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCCc2ccccc21 219571560 LIOQLWMQVQARCA-KRWDZBQOSA-N 313.372 3.963 0 40 DHAB COc1ccc(CC(=O)Nc2ccccc2OC(C)C)cc1C 224932175 FWFDTFYYSHIIMO-UHFFFAOYSA-N 313.397 3.972 0 40 DHAB COc1ccc(C(=O)Sc2nnc(-c3ccccc3)o2)cc1 408535250 YCVBEKOBBPUYSC-UHFFFAOYSA-N 312.350 3.678 0 40 DHAB FC(F)c1nnc(NC2CC(F)(c3cccc(Cl)c3)C2)o1 563854637 SAXFLQRVFUHIFE-UHFFFAOYSA-N 317.698 4.100 0 40 DHAB CC[C@H]1c2ccccc2CCN1Cc1ncc(CN(C)C)s1 585084316 AETKPYYDBABCQI-KRWDZBQOSA-N 315.486 3.714 0 40 DHAB Cc1ccc2c(c1)C(=O)C[C@H](c1ccc3c(c1)OCCCO3)O2 64423 JUDIGUQMCYJMTH-GOSISDBHSA-N 310.349 3.863 0 40 DHAB biogenic Cc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1C 137414 JTJCGNKWAJDBBJ-UHFFFAOYSA-N 319.408 3.750 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C)c(C)c1 507165 BFKJLCFWWUTAIT-KRWDZBQOSA-N 313.353 3.602 0 40 DHAB CCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 531266 UNIPUIPLJKMTDT-OAHLLOKOSA-N 319.408 3.885 0 40 DHAB CCC[C@H]1Cc2c(sc3nc(SCC)nc(N)c23)CO1 554675 CWCUOTLMBMXMIH-QMMMGPOBSA-N 309.460 3.627 0 40 DHAB Cc1nc(NC(=O)c2ccccc2F)ccc1Br 559893 PQCHMZNHPSQLRT-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB Cn1cc(C(=O)c2ccccc2)cc1-c1nc2ccccc2n1C 619089 VUJJDFLUZKQKQG-UHFFFAOYSA-N 315.376 3.810 0 40 DHAB O=C1C[C@]2(C[C@H]3C=C[C@@H]2C3)C(=O)N1c1cc(Cl)cc(Cl)c1 2309155 MYGHKFZMGWTNIN-IEVXNVSRSA-N 322.191 3.839 0 40 DHAB Fc1ccc(Cn2c(C3CCNCC3)nc3ccccc32)cc1 2546916 DFMUEGPNKVVNAS-UHFFFAOYSA-N 309.388 3.691 0 40 DHAB Cc1cc(NC(=O)CSc2c(C)[nH]c3ccccc23)no1 2718337 UMOOYIPTKFGRAT-UHFFFAOYSA-N 301.371 3.504 0 40 DHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@@H]1[C@H]2C 4026425 XWHWCKHMKQSYBV-CVYSASLGSA-N 300.442 3.845 0 40 DHAB Clc1ccc(/C=C/CNCCCSc2ncccn2)cc1 4984237 QKKLPRSFMQJNPQ-DAFODLJHSA-N 319.861 3.915 0 40 DHAB CCCOc1ccc(Oc2nc3ccccc3n3cnnc23)cc1 5388710 CTXVKLHIWLYYQW-UHFFFAOYSA-N 320.352 3.859 0 40 DHAB CCCCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 6273642 VFEYWMKLZWCRBN-UHFFFAOYSA-N 309.369 3.662 0 40 DHAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1 7212464 UIGIQHJEYUMYOP-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccs2)cc1 7375786 PUPNJSSNPJOWRE-STQMWFEESA-N 302.443 3.988 0 40 DHAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(Cl)cc1 7383965 RVHCPTNUICAMBV-NSHDSACASA-N 304.777 3.788 0 40 DHAB O=C(/C=C/c1ccccc1Br)NC1CCCCC1 7609017 ACXZWDFJMYAOAB-ZHACJKMWSA-N 308.219 3.911 0 40 DHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1 8479059 UKULIZUOOCQAGM-INIZCTEOSA-N 303.789 3.814 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)OCO2 8498175 XDXUDGUPGSVMSJ-HNNXBMFYSA-N 313.353 3.520 0 40 DHAB Cc1ccc(N2C[C@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1 8743594 IHAZLUDYYOJSSJ-CQSZACIVSA-N 305.381 3.700 0 40 DHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc(N(C)C)c1 9919088 SNRAJGCHAQSOMY-AWEZNQCLSA-N 312.413 3.561 0 40 DHAB Cc1cc2c(s1)c1cnn(CCc3ccccc3)c(=O)c1n2C 12113481 HNWIEFSFCJVTGC-UHFFFAOYSA-N 323.421 3.501 0 40 DHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(F)cc1 13002292 FTWGXOCPJOVUOA-UHFFFAOYSA-N 324.359 3.675 0 40 DHAB CC(C)c1ccc(OCC(=O)N[C@@H]2CCc3ccccc32)cc1 13015682 WYXQZOJHXOOGCJ-LJQANCHMSA-N 309.409 3.993 0 40 DHAB Cc1ccc(CN(CCCN(C)C)Cc2ccccn2)cc1C 13990696 MYAHEFWWSPPBHF-UHFFFAOYSA-N 311.473 3.652 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(C)=O)c1 14022517 UKEVXDJGUKGYDM-SFHVURJKSA-N 311.381 3.994 0 40 DHAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 15583746 TWSKQCXDZOILGU-GTNSWQLSSA-N 316.351 3.569 0 40 DHAB CSc1nc2ccccc2n1CC(=O)N(C)C1CCCCC1 16035321 BORMPNQYYLOYND-UHFFFAOYSA-N 317.458 3.549 0 40 DHAB CCCCCCc1c(C)nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c1=O 17861841 UOFFHNRHOYVQKV-OKILXGFUSA-N 305.466 3.683 0 40 DHAB O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1C[C@@H]2C=C[C@H]1C2 19014970 QWBJXVOZILQYSW-FRRDWIJNSA-N 302.443 3.953 0 40 DHAB CCc1ccc2oc(-c3ccccc3)c/c(=N\CC(=O)O)c2c1 19793150 WQFOGDNVRCBFBR-CAPFRKAQSA-N 307.349 3.648 0 40 DHAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ncccn1 21210245 MAGQIZCQRMXLIZ-UHFFFAOYSA-N 303.321 3.557 0 40 DHAB C[C@@H]1CCCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 23244285 PPYZLVSWUNDAGA-BTDICHCPSA-N 321.804 3.525 0 40 DHAB c1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)cc1 23749851 GTEFDIGCQZQTEA-UHFFFAOYSA-N 309.438 3.619 0 40 DHAB Cc1ccc(OCc2nnc(S)n2-c2ccccc2C)cc1 26439404 BNTIJZLFVSRWBJ-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB CCOc1ccc(C(=O)NCc2cccc(C)c2)cc1OCC 26885007 FSONYOALLUIJGG-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB CN(CCC(=O)N1CCc2ccccc21)[C@@H]1CCc2ccccc21 26915776 JQWQFYMXVAOHOF-HXUWFJFHSA-N 320.436 3.585 0 40 DHAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccccc1F 32930807 XQFRVYQVQGTIJK-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB c1ccc(Nc2nnc(SCc3ccncc3)s2)cc1 32931605 KYDMYSAYKXWKDO-UHFFFAOYSA-N 300.412 3.969 0 40 DHAB c1ccc(-c2nc(CSc3nnc4ccccn34)co2)cc1 36849207 MMMPQQLYTNLOIA-UHFFFAOYSA-N 308.366 3.677 0 40 DHAB O=C1S/C(=C\c2ccncc2)C(=O)N1c1ccc(Cl)cc1 39860706 IWWADYKYRJTYNK-LCYFTJDESA-N 316.769 3.976 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C)cc1 44840561 XEDGDQGAXUKAHD-GOSISDBHSA-N 315.388 3.950 0 40 DHAB CSc1ccccc1C(=O)N[C@H](C)COc1ccccc1C 55693479 NHSGUGZZOXFIKX-CQSZACIVSA-N 315.438 3.914 0 40 DHAB COc1ccc(CNc2ncnc3sc(C)c(C)c23)cc1O 59000962 VKLKJPKBUFUXDI-UHFFFAOYSA-N 315.398 3.634 0 40 DHAB CN(C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nccs1 69813739 FAHVBJWXGSGOMB-HNNXBMFYSA-N 316.426 3.806 0 40 DHAB Cc1cc(C)c(OCC(=O)Nc2ccccc2N)c(Cl)c1 70462924 DDJRPPGWWAMMTJ-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1ccc(/C=C/C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 72190695 IPXSZYICVIVCPJ-FMQWLBJXSA-N 307.349 3.728 0 40 DHAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)s1 72265231 LKYIRHPPAVEOPK-UHFFFAOYSA-N 315.438 3.535 0 40 DHAB CCO[C@@H](CCNC(=O)c1cc(-c2ccccc2)no1)C(C)C 74292614 DDHSVDIQQGOVNB-INIZCTEOSA-N 316.401 3.523 0 40 DHAB O=C(/C=C/c1cccnc1)N1CC[C@H](CSc2ccccc2)C1 76067172 LMVIYBMHSNBXQV-IJDCCNJMSA-N 324.449 3.736 0 40 DHAB C[C@@H](Sc1ccccn1)C(=O)NCc1cccc(Cl)c1 79060086 HMDDPAZITYQAPJ-LLVKDONJSA-N 306.818 3.532 0 40 DHAB CC(C)(C)OC(=O)NCc1cc(Br)ccc1F 82609701 GQZRRHCPMBGKHE-UHFFFAOYSA-N 304.159 3.613 0 40 DHAB Cc1ccc(NC(=O)c2ncoc2[C@H]2CCCO2)c2cccnc12 95397445 YFXKEFZCSLKUAB-CQSZACIVSA-N 323.352 3.635 0 40 DHAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(O)cc1 95431708 OKJDFBFLMGDHNB-GJZGRUSLSA-N 301.411 3.524 0 40 DHAB COc1cc(C(=O)c2ccc(Cl)c(C)c2)cc(OC)c1OC 95916533 DTHMFNUONJOPBH-UHFFFAOYSA-N 320.772 3.905 0 40 DHAB O=C(CSc1ccc(Cl)nn1)N(C1=CCCCC1)C1CC1 95948045 VIBQTNDVITYGFC-UHFFFAOYSA-N 323.849 3.671 0 40 DHAB Cc1ccc([C@H]2C[C@@H]2C(=O)NCCCCc2nccs2)s1 97212296 DRWQZOUSCWBZFY-STQMWFEESA-N 320.483 3.756 0 40 DHAB Cc1ccc(-c2ccc(C(=O)NCc3ncoc3C)s2)o1 97237955 SSIYPIWZEHNLCY-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB C[C@H](NC(=O)Nc1cc(Cl)cc2c1OCC2)c1ccncc1 97380051 GGWAOBDSVSAYAP-JTQLQIEISA-N 317.776 3.553 0 40 DHAB Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccccc3C)C2=O)c(C)c1 101275239 GSTDJNICKGNTRY-MRXNPFEDSA-N 322.408 3.664 0 40 DHAB COC(=O)c1cc(-c2cc3ccccc3oc2=O)ccc1Cl 216937044 GOISUMLAXRZKQI-UHFFFAOYSA-N 314.724 3.900 0 40 DHAB O=C(OC1CCCCCCC1)c1snnc1-c1cccnc1 223850035 SIIYSPHDNTUUFZ-UHFFFAOYSA-N 317.414 3.870 0 40 DHAB CCOc1ccccc1CNC(=O)c1ccc(OC)c(Cl)c1 225177794 CCVPPLDEWNRXDD-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB O=C(Cc1ccc(F)c(F)c1)Nc1ccc2c(c1)CCCN2 225455324 OVGSDRZDGYZNFL-UHFFFAOYSA-N 302.324 3.504 0 40 DHAB CC[C@@H](NCc1ccnc(N)c1)c1ccc(OC(F)F)cc1 225615931 ACDCCVFGNLCCDE-CQSZACIVSA-N 307.344 3.506 0 40 DHAB C[C@@H]1CCCCN1C(=O)CCCn1cc(-c2ccccc2)cn1 227165131 VGMVRVHVHMBFBB-MRXNPFEDSA-N 311.429 3.731 0 40 DHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251239086 SLWXHCPVXFBNLL-LUKYLMHMSA-N 301.430 3.766 0 40 DHAB Cc1ncc2c(n1)CC[C@H](NCc1ccc(C3CCC3)cc1)C2 549711627 QPJAUNQNFDHDSP-IBGZPJMESA-N 307.441 3.700 0 40 DHAB CCOC(=O)CCCC(=O)c1cc(F)cc(C(F)(F)F)c1 575361028 OIWPAHZOGJGRNJ-UHFFFAOYSA-N 306.255 3.761 0 40 DHAB FC(F)(F)c1ccnc(N2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1888842755 PNECAQBGAWMOLL-STQMWFEESA-N 322.334 3.669 0 40 DHAB O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1c1ccccc1O 341538 BWXLFSRXCQFBDH-UHFFFAOYSA-N 323.735 3.999 0 40 DHAB CN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1 882020 QNGNEQCOPDVAFK-UHFFFAOYSA-N 324.405 3.852 0 40 DHAB CC(C)(C)C(=O)CSc1nnc(NCc2ccccc2)s1 3220948 PMVRRFIODUIPQI-UHFFFAOYSA-N 321.471 3.858 0 40 DHAB O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(F)cc1 3413080 LDIWNEHSBAVLMF-UHFFFAOYSA-N 321.156 3.900 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cn[nH]c12 4706213 NLDGHLGLNVFXFH-KCMORZRYSA-N 312.457 3.747 0 40 DHAB CC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 5262034 DYHONWAOFDPCQW-GFCCVEGCSA-N 317.772 3.949 0 40 DHAB Clc1ccc2[nH]c(-c3cncc(N4CCCCC4)n3)nc2c1 5491284 CZYANAAEPWFDLI-UHFFFAOYSA-N 313.792 3.664 0 40 DHAB CN(CC(=O)Nc1cc(Cl)ccc1F)Cc1ccsc1 7927132 DTSWKOHTHRFZKF-UHFFFAOYSA-N 312.797 3.611 0 40 DHAB Cc1csc(NC(=O)Cc2csc(-c3ccccc3)n2)n1 7968917 DSYSBSKSTLRIBL-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB COc1cc(OC)c(NC(=O)c2sccc2C)cc1Cl 8750401 AYYNJZKYVNYQGQ-UHFFFAOYSA-N 311.790 3.979 0 40 DHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 9235084 JCQVBDODWHSSIP-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB CCCCC(=O)Nc1nnc(CSc2ccccc2)s1 9668486 HILINIJPCUJCKB-UHFFFAOYSA-N 307.444 3.959 0 40 DHAB COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1C 9897811 CKRKZFZEKIJJNI-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB CC(C)CNC(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)o1 10846432 SIUOWWJGUVZKHG-NSHDSACASA-N 322.405 3.734 0 40 DHAB CC[C@H](NC(=O)c1csc(C(C)=O)c1)c1ccc(F)cc1 12199928 MGBSOMUAPFLFAR-AWEZNQCLSA-N 305.374 3.971 0 40 DHAB COc1ccc(Cl)cc1NCC(=O)Nc1cc(F)ccc1C 12621071 NYRZXQCICYMCDD-UHFFFAOYSA-N 322.767 3.847 0 40 DHAB Cc1nn(-c2ccc(C(=O)NC3CCCC3)cc2)c(C)c1Cl 12976293 IWFRTGGVIQGWKB-UHFFFAOYSA-N 317.820 3.815 0 40 DHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(F)c(F)c1 13013006 AZFVLESGNJXNTD-UHFFFAOYSA-N 313.206 3.539 0 40 DHAB CCOc1cc2c(cc1NC(=O)CC1CCCC1)O[C@@H](C)C2 13014007 CYOQTLAMRDIKFV-LBPRGKRZSA-N 303.402 3.928 0 40 DHAB Fc1ccc(CN2COc3c(ccc4cccnc34)C2)c(F)c1 13207932 JRRVIZJYWISBQJ-UHFFFAOYSA-N 312.319 3.865 0 40 DHAB CCCCc1ccc(CC(=O)NCc2ccccc2OC)cc1 14188572 UHEARBOZQXJJLU-UHFFFAOYSA-N 311.425 3.897 0 40 DHAB O=C1NC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccccc1 16450875 CACUWAUJSCAFEO-QSJINSDNSA-N 308.768 3.814 0 40 DHAB O=C(O)c1ccc2oc(-c3cccc(Br)c3)nc2c1 20158777 ZLACURWMLKLOND-UHFFFAOYSA-N 318.126 3.956 0 40 DHAB CCC[C@H](NC(=O)[C@H](C)Sc1ncccn1)c1ccccc1 21174266 UUNZHLLBYHWZLV-ZFWWWQNUSA-N 315.442 3.615 0 40 DHAB Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)s1 22414061 FPJSXKSTUFDVEQ-UHFFFAOYSA-N 320.502 3.975 0 40 DHAB CN(C)Cc1ccccc1NC(=O)c1ccccc1OC(F)F 24809301 CIIHCKUBEDMKJT-UHFFFAOYSA-N 320.339 3.602 0 40 DHAB Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1c(F)cccc1F 32797298 DEURSTBIDMEZMR-NSHDSACASA-N 324.396 3.794 0 40 DHAB CCCCNc1nc(-c2cnn(CC)c2)cc(C(F)(F)F)n1 36614049 KBLBKBBQXASBPO-UHFFFAOYSA-N 313.327 3.591 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 41283519 LNZHFGSPOCXOPS-ZDUSSCGKSA-N 307.434 3.794 0 40 DHAB COc1cccc(NC(=O)NCc2cccc(OC(C)C)c2)c1 47321768 YDIVVFMRBLCOIG-UHFFFAOYSA-N 314.385 3.804 0 40 DHAB O=C(NCc1ccccc1F)Nc1cccc(OC(F)F)c1 47908842 NRODEDVUBJCEAU-UHFFFAOYSA-N 310.275 3.749 0 40 DHAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccccc2-c2ccccc2)cn1 48311982 UWKGJKCSVBCUAZ-QZTJIDSGSA-N 317.392 3.829 0 40 DHAB CCc1nc(COc2ccc(Cl)c3c2C(=O)C[C@@H]3C)no1 52892295 MWDFGVYDOCKRHV-QMMMGPOBSA-N 306.749 3.554 0 40 DHAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)Cc1ccccc1F 53189852 QCWBAEPMICYDSL-LLVKDONJSA-N 304.365 3.607 0 40 DHAB CCOc1cccc([C@@H](C)NC(=O)c2c(C)noc2C(C)C)c1 58265708 OWILSMBWINZPLL-GFCCVEGCSA-N 316.401 3.996 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c(C)c1 59227410 SHZKTFALXWMACX-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CN(Cc1ccc(F)cc1)C(=O)CNc1ccccc1Cl 60555602 BAKHFHNLEZHZQI-UHFFFAOYSA-N 306.768 3.550 0 40 DHAB CC(C)CCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 65936442 SYAGWQVGAUPGNB-UHFFFAOYSA-N 310.869 3.666 0 40 DHAB COc1cccc(C[C@H](C)NCc2nc3cc(C)c(C)cc3[nH]2)c1 67982106 AOQVSGGXACTGSD-HNNXBMFYSA-N 323.440 3.909 0 40 DHAB CC[C@@H](C)NC(=O)Nc1cccc(COCCOC(C)C)c1 68558208 PSBZDXFKWGCKQH-CQSZACIVSA-N 308.422 3.548 0 40 DHAB O=C(Nc1cn[nH]c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69570654 NXFXJQKLTMMBJA-CYBMUJFWSA-N 324.306 3.798 0 40 DHAB Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)C1CC1 69846202 LHROJUSVUDFNJA-UHFFFAOYSA-N 314.414 3.562 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)c2c(C)nn(C)c2C)cc1 71844114 FJIDESXTJVLDPG-QWHCGFSZSA-N 313.445 3.580 0 40 DHAB CO[C@H](C(=O)N[C@H](C)c1csc(C(C)C)n1)c1ccccc1 71907668 MZUSCJXMLYXXFT-DOMZBBRYSA-N 318.442 3.831 0 40 DHAB COc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c(C)n1 72218105 WEAHVCBVSHFEDX-CQSZACIVSA-N 306.406 3.861 0 40 DHAB C[C@@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H](C)O1 72243328 WMFFGSSIZIUJOL-ZIAGYGMSSA-N 313.372 3.742 0 40 DHAB O=C(C[C@H]1CC(=O)Oc2ccccc21)Nc1ccc2[nH]ccc2c1 79190244 GRCRMOQZARKPQC-ZDUSSCGKSA-N 320.348 3.589 0 40 DHAB biogenic COC(=O)c1oc([C@H](C)N(C)Cc2ccc(C)cc2)cc1C 89632264 GRTWOOLMVFTKCJ-AWEZNQCLSA-N 301.386 3.876 0 40 DHAB Cc1ccc2c(CN(C)[C@H](C)c3ccccn3)cc(=O)oc2c1C 89665826 WRJWLPFMUGAXHQ-OAHLLOKOSA-N 322.408 3.998 0 40 DHAB CCO[C@H](C)c1nc(CN(C)c2nc(C)nc(C)c2C)cs1 95416553 QLLLPXJNNINSIL-GFCCVEGCSA-N 320.462 3.592 0 40 DHAB Cc1ccoc1C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 95418215 VKEGPLRWUMRVPO-GJZGRUSLSA-N 317.385 3.690 0 40 DHAB N[C@H](c1ccccc1)c1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1 95533451 DEUFHSZAADCPOU-CYBMUJFWSA-N 318.302 3.539 0 40 DHAB CC(C)c1ccc(S[C@H]2CCN(C3CCOCC3)C2=O)cc1 96447692 JZKOWLNSXYGUOC-KRWDZBQOSA-N 319.470 3.682 0 40 DHAB Cc1cnc([C@H](C)NC(=O)N[C@H](C)Cc2ccsc2)s1 96456306 NEHFENJIZXHTEO-KOLCDFICSA-N 309.460 3.504 0 40 DHAB COc1ccc(N(C(=O)c2cscn2)[C@H](C)C2CC2)cc1 103005415 FUDPDHSMEZDYLA-LLVKDONJSA-N 302.399 3.597 0 40 DHAB COc1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1CO 129336528 GNWCTCKMGOZKTK-RYUDHWBXSA-N 303.324 3.721 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@@H](O)C(=O)CC[C@@]34C)[C@@H]1CCCC2=O 245190553 PSDYUQOKDCQVKL-YOSIWLQUSA-N 318.457 3.528 0 40 DHAB CO[C@@H](CNC(=O)c1cccs1)c1cc2ccccc2o1 253472233 KLUQNHRFUUHVPR-AWEZNQCLSA-N 301.367 3.612 0 40 DHAB Cc1cccc(CN2CCC[C@@H]2c2cccc(CCC(=O)O)n2)c1 257292440 QLMFUQYVLVQYFH-LJQANCHMSA-N 324.424 3.744 0 40 DHAB Cc1cc(CNC(C)(C)c2c(C)noc2C)c2c(n1)CCCC2 894437405 OOKYVTBGLCQTPG-UHFFFAOYSA-N 313.445 3.899 0 40 DHAB O=Cc1nc(Br)c(-c2cccc(Cl)c2Cl)[nH]1 1857794863 NSCIRTSRAWKHIV-UHFFFAOYSA-N 319.973 3.959 0 40 DHAB Cc1cc(C)nc(C(=O)NC(c2ccccc2)c2ccccc2)n1 1888982138 HQYOPTGNUQADBA-UHFFFAOYSA-N 317.392 3.613 0 40 DHAB COc1cc(C=O)cc(OC)c1OCc1c(F)cccc1Cl 107558 HEBACMYBVCKHFU-UHFFFAOYSA-N 324.735 3.888 0 40 DHAB O=S(=O)(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 225785 HSXJFDQKXAKXKF-UHFFFAOYSA-N 301.194 3.967 0 40 DHAB Cc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1 411337 FWAVJMVSUSGZHA-UHFFFAOYSA-N 302.337 3.898 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N(C)C)cc1 579766 QWIBACSREIXWLS-GFCCVEGCSA-N 318.804 3.812 0 40 DHAB COc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1O 817701 AIJLQRQWYKZVFT-GOSISDBHSA-N 307.353 3.545 0 40 DHAB CC(C)(C)N1COc2cc3c(cc2C1)OCN(C(C)(C)C)C3 1680955 OHYCAAHTEVEOKI-UHFFFAOYSA-N 304.434 3.587 0 40 DHAB COc1cccc(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1OC 1711320 RENOGJSUOODSNX-GOEBONIOSA-N 318.413 3.985 0 40 DHAB CC(=O)[C@@H](C)Sc1cc(C)nc2c(-c3ccccc3)cnn12 2336508 KOCWVEQLLQYBRN-CYBMUJFWSA-N 311.410 3.774 0 40 DHAB O=C(C[C@@H]1CCC[C@H]1C(=O)O)c1ccccc1Br 2574431 UVVMQPBDJHJONA-VHSXEESVSA-N 311.175 3.523 0 40 DHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)nc1 2641437 PLUNBPOZZDNFSK-UHFFFAOYSA-N 316.666 3.886 0 40 DHAB COc1cnc(N(C)C)nc1Oc1ccc(Cl)c(Cl)c1 3051093 DKIJSBYOZUIDDC-UHFFFAOYSA-N 314.172 3.650 0 40 DHAB O=C1CCCN1c1nc(-c2ccc(Br)cc2)cs1 3331002 IBIYIAPXHCCIBW-UHFFFAOYSA-N 323.215 3.699 0 40 DHAB Cc1ccc2c(COC(=O)c3ccccc3F)cc(=O)oc2c1 3511136 NBMOEANZUUTZHV-UHFFFAOYSA-N 312.296 3.598 0 40 DHAB Fc1ccc(OCCSc2nc(-c3ccccc3)n[nH]2)cc1 5209505 AMKZFIIVRIXMSM-UHFFFAOYSA-N 315.373 3.782 0 40 DHAB C[C@@H](O)Cn1c(-c2ccccc2)nc(=S)c2c1CCCC2 5477918 KRPYPZQBIXJBQG-GFCCVEGCSA-N 300.427 3.539 0 40 DHAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2F)cc1C 5859618 SZLVEWKTXWEXML-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccccc1 6719446 FIHTYFDWZRVGAH-CYBMUJFWSA-N 301.386 3.563 0 40 DHAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C(C)C 7361258 KQRPPBGQVPJNCB-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB Cc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1 7404548 BGCRLTDRWUMSQP-CQSZACIVSA-N 301.411 3.525 0 40 DHAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2O)cc1 8906149 RUMMFIHJOYAVLB-UHFFFAOYSA-N 305.761 3.626 0 40 DHAB COc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1F 9366754 HUXYLRJSKXXVMM-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1cccc2ncccc12 12986179 WOUGLJARUVJMBS-VQHVLOKHSA-N 316.360 3.822 0 40 DHAB Cc1nc(C)c(C(=O)NCc2ccc(Cl)cc2Cl)s1 15303812 FCPDXBODILOKBW-UHFFFAOYSA-N 315.225 3.997 0 40 DHAB Cc1ccc(CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 15831120 WBSPNELPKUYKOW-UHFFFAOYSA-N 321.376 3.648 0 40 DHAB O=C(CC[C@H]1CCCO1)N1CCCC[C@@H]1CCc1ccccc1 19371002 YASBZADDGJVEHM-RTBURBONSA-N 315.457 3.960 0 40 DHAB O=C(O)c1cccc(OCc2ccccc2Br)c1 19803341 JGPQVNAZNGNLHT-UHFFFAOYSA-N 307.143 3.726 0 40 DHAB Cc1cc(C)cc(N[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 20402828 KVEAGJGUIFYTMH-GFCCVEGCSA-N 303.431 3.816 0 40 DHAB COc1nc(O)c2c(-c3ccc4ccccc4c3)ccnc2n1 22606903 HYLJMAIQWBKYLF-UHFFFAOYSA-N 303.321 3.559 0 40 DHAB C[C@@H](N[C@H](C)c1cccc(Cl)c1)C(=O)NCc1cccs1 24985722 OYZDIASZDFTYCR-VXGBXAGGSA-N 322.861 3.757 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2cccc(F)c2)no1 32832979 MWNZQXNOJRGGAQ-UHFFFAOYSA-N 322.299 3.609 0 40 DHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCC[C@H]1C 36416296 XXFFNUBOFHXZRJ-AGIUHOORSA-N 317.458 3.738 0 40 DHAB COc1cccc(CNC(=O)N(Cc2ccccc2)C(C)C)c1 40150004 WDBGHHQUYKDHTF-UHFFFAOYSA-N 312.413 3.815 0 40 DHAB COc1ccc([C@H](O)c2cccc(Br)c2)c(C)c1 40246180 VZINHEJTTGZUFB-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 40525121 LOEKEJXTRXVMBM-CABCVRRESA-N 312.413 3.884 0 40 DHAB Cc1ccc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cn1 41896432 DGRHFXGOAAUQCN-PXAZEXFGSA-N 310.397 3.911 0 40 DHAB Cc1ccc(-c2nc(CS(=O)(=O)c3ccccc3)co2)cc1 45102532 HJSWDUGEFIMFJE-UHFFFAOYSA-N 313.378 3.624 0 40 DHAB Cc1ncc(CN(C)C(=O)Nc2ccc3c(c2)CCC3)s1 48250128 UOLFYTOMQIGWLT-UHFFFAOYSA-N 301.415 3.604 0 40 DHAB CCCCCCNC(=O)Nc1cccc(CN2CCCC2=O)c1 48345317 IPFHLUFOQATILX-UHFFFAOYSA-N 317.433 3.511 0 40 DHAB CCc1ccc(C(=O)NCc2ccc(Br)cc2)cc1 48817119 WGQWBRXIZLYFMA-UHFFFAOYSA-N 318.214 3.942 0 40 DHAB O=C(/C=C/c1cccc(F)c1)NCc1ccccc1N1CCCC1 58356662 HWZHVVJLJQBORI-ZHACJKMWSA-N 324.399 3.756 0 40 DHAB Cc1cccc(C)c1OCCNC(=O)c1cc2c(s1)CCC2 58366666 QLAJJONUEAFLOX-UHFFFAOYSA-N 315.438 3.662 0 40 DHAB CCOC1CCN(C(=O)Nc2cc(F)ccc2OC(C)C)CC1 67307448 PHXACAILYJFXBT-UHFFFAOYSA-N 324.396 3.646 0 40 DHAB Cc1nn(C)c(NC(=O)c2cc(C3CC3)nc3ccccc23)c1C 69568093 LEIBTVUVXJDSNC-UHFFFAOYSA-N 320.396 3.715 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)c2sc(C)cc2OC)c1 70767855 MQUOGXZYNWYYFP-UHFFFAOYSA-N 318.398 3.666 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[C@@H]1c1ccco1 71834992 XQGUNDHTJBXPCU-BFHYXJOUSA-N 301.411 3.981 0 40 DHAB CCN1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214490 VSMRKWUJCNCLKE-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C 72214513 DSXINVWLOVHLFQ-CQSZACIVSA-N 305.422 3.610 0 40 DHAB COc1cccc(-c2ccnc3nc(-c4cccs4)nn23)c1 72451441 QQTIQLBSTCVFBH-UHFFFAOYSA-N 308.366 3.528 0 40 DHAB CCc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)s1 74293214 HTBXJWSLCBPAQU-OAHLLOKOSA-N 301.411 3.524 0 40 DHAB CC[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(OC)cc1 75105317 GIJYFXYJAIRVRV-AWEZNQCLSA-N 323.314 3.994 0 40 DHAB O=c1ccn(CCOc2cccc(Cl)c2)c2ccsc12 75146474 QHPYOQPTVSDEJP-UHFFFAOYSA-N 305.786 3.795 0 40 DHAB CCc1ccc(-c2ccc(C(=O)N(C)Cc3cnccn3)o2)cc1 76066299 OSIBSNGFEOXHAW-UHFFFAOYSA-N 321.380 3.571 0 40 DHAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1cccc(OC)c1 80344821 WBTWSGUZUIJXCR-INIZCTEOSA-N 313.397 3.591 0 40 DHAB CN(C)c1cc(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)ccn1 84673357 JXSJHAYMQDBEFV-QGZVFWFLSA-N 323.440 3.690 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)Nc1ccc(F)c(C(=O)O)c1 89558847 IFCKKSBNFKOBFT-UHFFFAOYSA-N 322.361 3.665 0 40 DHAB C[C@H]1CCN(CCSc2ccccc2)C[C@@H]1n1ccnc1 89930000 NRJWNEASDKXHSH-RDJZCZTQSA-N 301.459 3.558 0 40 DHAB C[C@H](N[C@@H]1CCc2c(F)cccc21)c1ccc([S@@](C)=O)cc1 95421145 BBRREWZPCAPMSZ-PSIQCNSWSA-N 317.429 3.901 0 40 DHAB Cc1cnccc1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 95981989 IGCMWEVHSFYVAP-QWRGUYRKSA-N 301.312 3.633 0 40 DHAB O=C(/C=C/c1ccoc1)NCC1(c2cccs2)CCCC1 96120215 BYRGSTMTFMLNRR-AATRIKPKSA-N 301.411 3.983 0 40 DHAB Cc1cc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c2ccccc2n1 96403398 FMOVVNFHEQFPDB-KRWDZBQOSA-N 320.396 3.634 0 40 DHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1[C@H]2C=CC[C@H]1CC2 208020293 SQRAHFYDHBOXRY-GJZGRUSLSA-N 309.331 3.958 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Cc2cccc(Cl)c2)c1 223109653 PNXXPTKDGWCSKV-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccc(F)cc2)c(Cl)c1 225004779 BMXLYYPTPBRWGA-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccc(Cl)cc2)c(C)c1 225111360 IUGZTLQRAQUZHI-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB Cc1cccc(NC(=S)NCc2cccc(OC(C)C)c2)n1 225525158 SNTRSQZWUQERBK-UHFFFAOYSA-N 315.442 3.664 0 40 DHAB O=C(c1cccc2cccnc12)N1CCC[C@H](c2nccs2)C1 257233614 GPZPCXKQPLCTRI-AWEZNQCLSA-N 323.421 3.711 0 40 DHAB Cc1ccc2nc(SC(=O)c3ccc4c(c3)OCO4)[nH]c2c1 408618537 DETRMHDEGSAAKX-UHFFFAOYSA-N 312.350 3.533 0 40 DHAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC)C1=O 409076098 XTVBTSNTQRZAJB-WQLSENKSSA-N 311.790 3.795 0 40 DHAB O=C(CCc1cccnc1)Nc1ccc(Nc2ccccc2)nc1 522358681 CJMGAPVRQARTLP-UHFFFAOYSA-N 318.380 3.792 0 40 DHAB CO[C@H](CNC(=O)c1cc(C)oc1C)c1cc2ccccc2o1 575415632 JDIWSBBVMZPHLW-QGZVFWFLSA-N 313.353 3.760 0 40 DHAB Cc1ccc2oc(N3CCC(Oc4ncccc4C)CC3)nc2c1 585083253 HTFJVJZFJLXQRZ-UHFFFAOYSA-N 323.396 3.887 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)c2ccsc2)c1 1565519583 UIMIEJWRDLOBDM-UHFFFAOYSA-N 323.483 3.621 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2scc3c2CCCC3)cc1 140172 VVQCSTNLBBEMJV-UHFFFAOYSA-N 314.410 3.838 0 40 DHAB Cc1ccc(CSCC(=O)NCc2ccc(F)cc2)cc1 262723 ACFUOLGINMTZLV-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB CCCCCC[C@H](O)CNCc1ccnc2ccc(OC)cc12 1593760 HOLOTOVVMVTVKM-INIZCTEOSA-N 316.445 3.664 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C)cc2)cc1 1977360 SIGJTQVBHFOZGU-AWEZNQCLSA-N 311.381 3.741 0 40 DHAB C[C@@H](Cc1cccs1)NC(=O)c1ccccc1Br 3211552 MHBQEYVCDVIZNI-JTQLQIEISA-N 324.243 3.872 0 40 DHAB C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 3327949 QLHKKYNMTQXZDQ-GFCCVEGCSA-N 322.330 3.822 0 40 DHAB Cc1cccc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1O 3571452 VUVLXCFZSUGGJD-UHFFFAOYSA-N 323.348 3.530 0 40 DHAB Cc1cc2cc(CNC(=O)[C@@H](C)Oc3ccccc3)ccc2[nH]1 4138089 VWZNQOTWVAZALM-CQSZACIVSA-N 308.381 3.560 0 40 DHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1Cl)C2 4887145 ATKYDDIDOPWHDX-GOOCMWNKSA-N 320.864 3.865 0 40 DHAB O=C(COc1cccc(Cl)c1)NCCSc1ccccc1 5280831 KQSIHWONDLUNMG-UHFFFAOYSA-N 321.829 3.627 0 40 DHAB Cc1cc(C)cc(-n2ccc(O)c(Cc3ccc(F)cc3)c2=O)c1 5734630 CIWBJWMVIQJNEW-UHFFFAOYSA-N 323.367 3.890 0 40 DHAB C[C@@H](c1ccccc1)n1c(S)nnc1CCc1ccccc1 6522146 RGSDOGMQFAXKCR-AWEZNQCLSA-N 309.438 3.961 0 40 DHAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 7312146 PHNSXNJZHRTSLV-GFCCVEGCSA-N 319.401 3.804 0 40 DHAB CC[C@H](Sc1ccccc1NC(=O)C1CCCC1)C(=O)O 8732954 OXCMRCMPGLHPIQ-ZDUSSCGKSA-N 307.415 3.771 0 40 DHAB COc1ccc2c(CC(=O)Nc3ccc(F)c(F)c3)coc2c1 9155319 FCSHRRGIFWXAFA-UHFFFAOYSA-N 317.291 3.901 0 40 DHAB Cc1ccc(-c2csc(NC(=O)c3ccncc3)n2)s1 9364841 UYGYRMUMBIHBPD-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB O=C(c1cccnc1)N1CCC(c2cc3ccccc3cn2)CC1 12144034 XRXYHATYWDYMHP-UHFFFAOYSA-N 317.392 3.650 0 40 DHAB O=C(c1ccccn1)N1CCc2sccc2[C@H]1c1ccccc1 12981008 NPEMXUCFKOYASM-GOSISDBHSA-N 320.417 3.931 0 40 DHAB Cc1cc(C=O)c(C)n1NC(=O)c1ccc(Cl)cc1Cl 13633486 RPKOIMYHUOCNQS-UHFFFAOYSA-N 311.168 3.608 0 40 DHAB CCCOc1ccccc1C(=O)Nc1cc(OC)ccc1OC 14036492 ASXNFMDTMAMNQU-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB Fc1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1 16399574 VMRITMKYJJENJI-LJQANCHMSA-N 315.388 3.673 0 40 DHAB Cc1c(N)cccc1C(=O)Nc1cccc(Br)c1 20194620 XOPPIBLUFJTSJO-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)c1cccc(Br)c1 20293366 WJSFGXQIGYCORL-UHFFFAOYSA-N 322.177 3.860 0 40 DHAB O=c1[nH]c(-c2cccnc2)nc2scc(-c3ccc(F)cc3)c12 20369594 KPYXVPIDFJXEHJ-UHFFFAOYSA-N 323.352 3.853 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc12 22685122 KHIXPWZUJFHJDJ-SMDDNHRTSA-N 301.390 3.655 0 40 DHAB Cc1ccnn1-c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 25562270 IXAFJPWLLBJSDW-UHFFFAOYSA-N 324.409 3.767 0 40 DHAB Cc1ccc(OC[C@H](O)CN2CCCC[C@H]2C)c(C(C)(C)C)c1 26781123 OFEQUOJOHSEPLP-IAGOWNOFSA-N 319.489 3.907 0 40 DHAB Cn1ccnc1[C@H](NCc1ccccc1Cl)c1ccccc1 30643037 QVEAVDSQGPFWSL-QGZVFWFLSA-N 311.816 3.953 0 40 DHAB CC(C)[C@H](NC(=O)Nc1ccc2c(c1)OCO2)c1cccs1 32862344 YGRZDDKGEYBLRY-HNNXBMFYSA-N 318.398 3.996 0 40 DHAB CCc1nc(OCC(=O)Nc2cccc(C)c2)c2ccccc2n1 33141678 OUSWBUZVULBWFL-UHFFFAOYSA-N 321.380 3.518 0 40 DHAB COc1ccc([C@H](C)NC(=O)CSc2ccccc2)cc1 38755005 GJEWUYYZHMLFCC-ZDUSSCGKSA-N 301.411 3.665 0 40 DHAB COC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1F 38983733 BZPAECUTSRAQAE-UHFFFAOYSA-N 323.538 3.758 0 40 DHAB CCc1ccc(CNC(=O)c2oc3c(c2C)C(=O)CCC3)s1 40134455 MEQXLHBMNJHQMY-UHFFFAOYSA-N 317.410 3.661 0 40 DHAB COCCN(Cc1ccccc1)C(=O)c1ccccc1Cl 40160480 FXSHORVRHAOLGX-UHFFFAOYSA-N 303.789 3.629 0 40 DHAB CCn1ccnc1SCc1nc2cc(Cl)ccc2n1C 43243079 UIIUUSSXUPLGIH-UHFFFAOYSA-N 306.822 3.735 0 40 DHAB O=C(Nc1cccc(COCc2ccco2)c1)N1CCCC1 47602501 XVWZLQIIJCNSBE-UHFFFAOYSA-N 300.358 3.624 0 40 DHAB CCOc1cccc(CNC(=O)c2cc(Cl)ccc2F)c1 48069691 IYSDISKKNKPQHN-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB CCc1nc(CN(C)C(=O)Cc2ccccc2Cl)cs1 48355463 CAFBPYKKPPSRSU-UHFFFAOYSA-N 308.834 3.560 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2C)cn1 49767217 LKGUFVHAWSDRGU-UHFFFAOYSA-N 320.352 3.533 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1F 51354479 HYERNAFITUMNMR-UHFFFAOYSA-N 308.696 3.852 0 40 DHAB CC(C)(C)OC(=O)NC1([C@H]2CCN(Cc3ccccc3)C2)CC1 59718800 OIVBJMGOXYKNEF-INIZCTEOSA-N 316.445 3.566 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C 72213051 XLRJBRHCZGUNJN-QGZVFWFLSA-N 303.450 3.778 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)COc2ccccc2)n1 72232491 QCZHUFPXVSOBSA-OAHLLOKOSA-N 316.426 3.584 0 40 DHAB CC(=O)N1CCC[C@@H](c2ccc(Cc3ccc(C)cc3)cn2)C1 72374147 WHQBMDPBFXJKEG-LJQANCHMSA-N 308.425 3.707 0 40 DHAB CCOCc1ccccc1NC(=O)N1CCC[C@@H](COCC)C1 73185161 HIISDKWCBQEGSB-OAHLLOKOSA-N 320.433 3.504 0 40 DHAB CN1CCc2c(NC(=O)NCc3ccccc3Cl)cccc21 75110611 ASQSNOFBGBCECN-UHFFFAOYSA-N 315.804 3.654 0 40 DHAB c1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)nc1 76176421 SVSWRLMEXCHOLF-ZDUSSCGKSA-N 312.398 3.530 0 40 DHAB O=C(Nc1ccc(OCC2CCOCC2)cc1)C1CCCC1 76481515 XQZPQNCBQVJXOP-UHFFFAOYSA-N 303.402 3.621 0 40 DHAB CS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2O)C1 89334746 JJOXEIHRCVICTO-ZJUUUORDSA-N 317.813 3.541 0 40 DHAB C[C@H](CNC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccncc1 95409992 GOQOESCFHYILMN-ZIAGYGMSSA-N 313.401 3.713 0 40 DHAB c1cncc([C@H]2COC3(CCN(Cc4ccsc4)CC3)C2)c1 96047772 PAPVCEXCIDQGMB-QGZVFWFLSA-N 314.454 3.682 0 40 DHAB COc1cccc([C@@H](C)CC(=O)N(C)C2CCC(OC)CC2)c1 96460702 OFQRGONFLMULRY-OOHWJJMZSA-N 319.445 3.605 0 40 DHAB O=C(OCc1nc2ccc(F)cc2o1)c1scnc1C1CC1 96485502 VNBRLETXZSVIAW-UHFFFAOYSA-N 318.329 3.658 0 40 DHAB c1ccc2c(c1)-c1ccccc1C2NCCn1cnnc1C1CC1 97234780 DAIDEACUHPQURC-UHFFFAOYSA-N 316.408 3.515 0 40 DHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 101694124 YCHQYZZUXVHAEQ-USJZOSNVSA-N 307.393 3.561 0 40 DHAB O[C@H](C[C@H]1CCCCCN1Cc1cccnc1)c1ccco1 108105076 XCEGMYDVNHNARH-IAGOWNOFSA-N 300.402 3.543 0 40 DHAB Cc1cnc(C2(C)CCN(Cc3ccnn3C(C)C)CC2)s1 257202860 ANSAYIMSTUCFJF-UHFFFAOYSA-N 318.490 3.783 0 40 DHAB C[C@H](CCc1ccccc1)N(CCC(=O)O)C(=O)OC(C)(C)C 599886050 IGIMTGXTYJFTLN-CQSZACIVSA-N 321.417 3.720 0 40 DHAB Cc1csc(C(=O)NCc2ccc(-c3c(C)noc3C)o2)c1 1889149508 NWKYBTPFEMUPFQ-UHFFFAOYSA-N 316.382 3.851 0 40 DHAB CC(C)C(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 241430 RDJMBELHKYQSHZ-LLVKDONJSA-N 309.624 3.567 0 40 DHAB CN(C)C(=O)Oc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 387372 LCFXJWKQSXDARD-UHFFFAOYSA-N 315.760 3.715 0 40 DHAB Cc1cccc2nc(-c3ccc(O)cc3)c(NC[C@H]3CCCO3)n12 417425 LYILSOOPECFVRW-MRXNPFEDSA-N 323.396 3.606 0 40 DHAB Cc1cccc(CN(c2cccc(C)c2C)S(C)(=O)=O)c1 571687 IEHTVMUSXQAGMM-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2092776 MZRDBPVHKUQEKQ-LLVKDONJSA-N 322.474 3.881 0 40 DHAB CCSc1nc2ccccc2c(=O)n1-c1ccccc1F 2615885 AIBCZYJCHHFUJC-UHFFFAOYSA-N 300.358 3.637 0 40 DHAB CCC(CC)c1nnc(NC(=O)c2cccnc2SC)s1 2628773 IQMSWJUSOBIVRL-UHFFFAOYSA-N 322.459 3.811 0 40 DHAB CC[C@H](C(=O)OCC(=O)Nc1ccccc1F)c1ccccc1 3230140 HMOQBVUMBLLUDK-AWEZNQCLSA-N 315.344 3.501 0 40 DHAB Cc1cccc(Nc2nnc(S[C@@H]3CCCC3=O)s2)c1 3561310 LWQPLUPTRGQIGX-GFCCVEGCSA-N 305.428 3.804 0 40 DHAB CC[C@H]1CCCCN1C(=O)CCCC(=O)N1CCCC[C@@H]1CC 6121906 VASKFUGFJHDMLA-IRXDYDNUSA-N 322.493 3.739 0 40 DHAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccccc1F 6528721 WRPWSMPOYCKKCQ-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2F)c1C 7214111 GLUCZLHLXHRBCD-UHFFFAOYSA-N 321.417 3.538 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1 7401298 OLCABINNISSDBM-NSHDSACASA-N 319.307 3.573 0 40 DHAB C[C@H](OC(=O)Cn1cnc2ccccc21)c1ccccc1Cl 7735062 WMYFCXFHMUFZOP-LBPRGKRZSA-N 314.772 3.994 0 40 DHAB CC[C@H](CO)NCc1ccc(OCc2ccc(Cl)cc2)cc1 8337093 VDRFTXCDUNHQCG-QGZVFWFLSA-N 319.832 3.780 0 40 DHAB O=C(Nc1ccccn1)c1ccc(-n2cnc3ccccc32)cc1 9219511 SOWCGQFXNHQVQC-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB Cc1cc(C(=O)NCc2ccccc2C)c2cnn(C(C)C)c2n1 10966887 HXFJDKKPHYZKSO-UHFFFAOYSA-N 322.412 3.559 0 40 DHAB CSc1nc2ccccc2n1CC(=O)NC1CCCCCC1 12633805 JIOIZSPTNQKOGN-UHFFFAOYSA-N 317.458 3.597 0 40 DHAB CC(C)OCCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 13709288 YYBFLHQZRTVVLJ-OAHLLOKOSA-N 315.413 3.538 0 40 DHAB C[C@@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)NCc1cccnc1 13786272 YOGMQUBAEAYSMA-MPGHIAIKSA-N 300.446 3.757 0 40 DHAB CCCOc1cccc(NCCOc2ccc(OC)cc2)c1 19738357 MQSMRRQTQJAQFW-UHFFFAOYSA-N 301.386 3.975 0 40 DHAB FC(F)(F)c1ccccc1CNC[C@H]1NCCc2ccccc21 20528363 WVAZFWKUGWRAPQ-QGZVFWFLSA-N 320.358 3.682 0 40 DHAB CN(C)c1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 22131749 NKVSDERFEKKPSQ-HNNXBMFYSA-N 300.427 3.791 0 40 DHAB O=C1CCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2N1 22506922 SJJFZBFBRAJEJD-UHFFFAOYSA-N 315.760 3.869 0 40 DHAB Fc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 23125438 KRRGCJFLWXDXKN-UHFFFAOYSA-N 306.300 3.933 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(F)c(F)c2)cc1 25877766 DTXSAKLHNMEWTH-NSHDSACASA-N 305.324 3.855 0 40 DHAB Cc1c(C(=O)O[C@@H](C)C(C)(C)CN(C)C)oc2ccccc12 26959683 YTBPQPCZBJLLQO-ZDUSSCGKSA-N 303.402 3.874 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H](C)SCc2cc(C)on2)c1 27190935 IJLBPQHYASMRAM-ZDUSSCGKSA-N 304.415 3.860 0 40 DHAB O=NN(Cc1ccc(Cl)cc1)[C@H](C(=O)O)c1ccccc1 31772133 WBRGEXSDDDAVMU-AWEZNQCLSA-N 304.733 3.649 0 40 DHAB in-vitro O=c1oc2cc(Cl)ccc2n1Cc1cccc2cccnc12 32865440 GVAIQHJZZGYKEN-UHFFFAOYSA-N 310.740 3.844 0 40 DHAB CCc1ccc(NC(=O)CCNc2ncnc3ccccc23)cc1 41504423 JOGOUQRGYDOSAQ-UHFFFAOYSA-N 320.396 3.633 0 40 DHAB COc1ccc(F)cc1[C@@H](C)NCc1ccc(NC(C)=O)cc1 42797191 DBIXKTGONVDXBB-GFCCVEGCSA-N 316.376 3.644 0 40 DHAB CCc1nc(NC(=O)CCCOc2ccccc2)sc1C 47424448 CHNPVZLNHAKXOE-UHFFFAOYSA-N 304.415 3.812 0 40 DHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCc2ccccc2C1 48362220 OACSYFJQOZRRJU-AWEZNQCLSA-N 305.381 3.856 0 40 DHAB CN(CC(C)(C)C)C(=O)c1cc(Br)cnc1Cl 50045768 SZIGFBIFHGPSMX-UHFFFAOYSA-N 319.630 3.616 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979482 XENPZQQZPKIHNP-MWLCHTKSSA-N 318.760 3.780 0 40 DHAB Cc1ccsc1C(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2C 57280492 WZTUXRPTNDMFRG-UHFFFAOYSA-N 314.410 3.563 0 40 DHAB Cc1cccc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)c1 57354777 WDWKQNNRMGUMMN-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCOCC1 58380696 GFAQAINGYAHUQY-MSOLQXFVSA-N 301.430 3.598 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCCCCC2)cc1C 61247006 QTTUBRMBILLZMK-UHFFFAOYSA-N 319.518 3.856 0 40 DHAB COc1cc2c(cc1-c1[nH]cnc1-c1ccccc1)OCCCO2 65403800 UZHTYPJLKIBOHO-UHFFFAOYSA-N 322.364 3.914 0 40 DHAB Cc1ccc(NC(=O)N(C)CCCc2nc3ccccc3[nH]2)cc1 65982764 NDNDRZWRNJPZIN-UHFFFAOYSA-N 322.412 3.968 0 40 DHAB COc1ccc(NC(=S)Nc2cccc(F)c2C)c(OC)c1 71760525 DTFHRMDNADNNPF-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358370 AIOIUVPPLNEVHV-ZDUSSCGKSA-N 321.346 3.972 0 40 DHAB CC(=O)N1CCC(c2ccnc(Cc3ccccc3F)c2)CC1 72360606 VFGUMJZNZSNOND-UHFFFAOYSA-N 312.388 3.537 0 40 DHAB Cc1ccc(Cc2cnc(NC(=O)N[C@H](C)C3CC3)s2)cc1 75572442 DPTFWIGTXUVTOP-GFCCVEGCSA-N 315.442 3.962 0 40 DHAB COc1cccc(NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)c1 78988682 RJMNIPXKXSWURO-UHFFFAOYSA-N 324.340 3.698 0 40 DHAB Cc1cccn2cc(C[S@](=O)[C@@H](C)c3cccs3)nc12 79053184 IWDPCBFQZWROMG-FKIZINRSSA-N 304.440 3.714 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 89355918 YMWBHTYUYCEUIH-KGLIPLIRSA-N 315.335 3.719 0 40 DHAB COCc1ccc(CN2CCC(Nc3ccccc3F)CC2)o1 93607863 MMZYVFXHPZPQNB-UHFFFAOYSA-N 318.392 3.642 0 40 DHAB CN(C(=O)Nc1ccc(SC(F)F)cc1)C1CCOCC1 95405887 XRCDQJZAUVJBQP-UHFFFAOYSA-N 316.373 3.644 0 40 DHAB CCCOc1cc(F)ccc1NC(=O)Nc1c(C)n[nH]c1C 95413893 GENLBCZZBVOLFL-UHFFFAOYSA-N 306.341 3.598 0 40 DHAB C[C@@H](C(=O)NC[C@@H]1CCOc2ccccc21)c1cccs1 96413816 DJIWUGXNLSGTGD-OLZOCXBDSA-N 301.411 3.534 0 40 DHAB c1ccc2[nH]c(C3CCN(CCCn4ccnc4)CC3)cc2c1 96493047 VKDIZRZRCYSEIK-UHFFFAOYSA-N 308.429 3.634 0 40 DHAB COc1cccc(-c2cc(Oc3ccc(C(=O)O)cc3)ncn2)c1 96531088 XLCHWPOHJBQGRS-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1F 97229627 RACIXPNHACUEFU-MDOVXXIYSA-N 317.857 3.649 0 40 DHAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1cccnc1C(F)(F)F 108460850 SJGSHNZELQIQLB-SRVKXCTJSA-N 312.335 3.657 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223256410 ACYVCSDBQUBAIJ-OAHLLOKOSA-N 323.436 3.994 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1=CCCCC1 225098586 KZDFXPFTVQDCIS-HNNXBMFYSA-N 313.441 3.949 0 40 DHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cnc(OCC)c(C)c1 225904910 JLCNRTBXQKBHCT-SFHVURJKSA-N 322.449 3.959 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2ccc(F)cc2)cc1N 226266843 PXKZNQLODZFLPD-UHFFFAOYSA-N 301.365 3.506 0 40 DHAB C[C@H]1Cc2cc(Cl)cc(C(=O)NCCc3ccccc3)c2O1 252510435 ZKSBBBYPCWXRBS-LBPRGKRZSA-N 315.800 3.636 0 40 DHAB Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@@H](CCCO)C2 256050010 CHJLUEUYFAAVHZ-AWEZNQCLSA-N 305.418 3.681 0 40 DHAB Cc1cncc(C2CCN(Cc3cccc4cccnc34)CC2)n1 257278694 ODGJMSYYWKWOCO-UHFFFAOYSA-N 318.424 3.713 0 40 DHAB CC(C)[C@H](C)NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260893039 GIEICFOSJOJGJH-HOTGVXAUSA-N 302.462 3.693 0 40 DHAB O=C(Nc1ccn2ccnc2c1)c1scnc1C1CCCC1 280740448 JUIRRTPPTPWOOF-UHFFFAOYSA-N 312.398 3.701 0 40 DHAB CC(C)CNC(=O)c1nc(-c2ccn(C(C)C)c2)n2ccccc12 306142395 WYLAFHOXXLXNHZ-UHFFFAOYSA-N 324.428 3.770 0 40 DHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)[C@H]1CC=CCC1 1775968490 OTBWHCAFUZAWKU-GXTWGEPZSA-N 317.410 3.514 0 40 DHAB CC(F)(F)c1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N)cc1 1776011375 VAOFRZZNKSEQBH-ZWKOTPCHSA-N 316.395 3.725 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)ccc1C2=O 1857794597 CTBKLEPKOWXRLU-UHFFFAOYSA-N 319.376 3.582 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C(=O)CC[C@@]34O)[C@@]1(C)CCC(=O)C2 2049238272 BFCOSNMGHLCEIQ-UQVZDDLFSA-N 318.457 3.672 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)OC(C)C)c(C)c1 136071 CSIGETWJTRGNHT-HOTGVXAUSA-N 315.413 3.776 0 40 DHAB CCN1C(=O)/C(=C/c2cccc(C(F)(F)F)c2)SC1=S 1201693 RGDVTCFPQFZQHT-YFHOEESVSA-N 317.357 3.927 0 40 DHAB Cc1ccc(NC(=O)O[C@@H](C)c2sc3ncnn3c2C)cc1 1404999 PEPLLTQDYNTJFO-NSHDSACASA-N 316.386 3.717 0 40 DHAB C[C@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)C1CCCC1 1683410 CNFNVXPDSNSPKW-VQIMIIECSA-N 315.457 3.988 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)CSc1nncs1 3389541 QDCGQJXDWSNUMK-UHFFFAOYSA-N 307.444 3.566 0 40 DHAB CCOC(=O)c1cc(NC(=O)c2ccccc2)ccc1Cl 3649215 PEANFIVKCZBJOJ-UHFFFAOYSA-N 303.745 3.769 0 40 DHAB Cc1ccc(C(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 4580042 VTJGJXGLEPGNTO-ZDUSSCGKSA-N 308.333 3.752 0 40 DHAB CC[C@H]1CC[C@H]2[C@H](CC[C@@]3(N(C)C)CC[C@@H](OC)[C@@H](OC)[C@H]23)C1 5339252 JGYKCSORDIHDBG-GMZCJUQFSA-N 323.521 3.963 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c1 5698318 JXBJDLVFOFOBRE-INIZCTEOSA-N 317.454 3.603 0 40 DHAB CCCCC[C@H](C)NC(=O)CCC(=O)N[C@@H](C)CCCCC 5951421 WWWLIBSYIKCXEK-HOTGVXAUSA-N 312.498 3.937 0 40 DHAB CCc1ccc(NC(=O)COc2cccc3cccnc23)cc1 6127978 DFVBUEYYALRRMI-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB Cc1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 6942441 XCUGQQZIQFFKET-UHFFFAOYSA-N 323.392 3.815 0 40 DHAB CCCc1nnc2sc(Cc3cccc4ccccc34)nn12 8392242 MCCDCGTZOFBJLY-UHFFFAOYSA-N 308.410 3.882 0 40 DHAB COc1ccc2nc(C)c(CN3CCCCCC3)c(O)c2c1 8700573 VFIQTLIGTSXLML-UHFFFAOYSA-N 300.402 3.633 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1cccc2cccnc12 9613738 FARJDYAIYHYNEZ-UHFFFAOYSA-N 315.376 3.689 0 40 DHAB O=C(NC1CCCCCC1)c1ccc(CN2CCCC2)cc1 10332196 PPVLJLHOFUYFSO-UHFFFAOYSA-N 300.446 3.735 0 40 DHAB Cn1nccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 11695087 MSYYZXDEESAHBQ-UHFFFAOYSA-N 324.365 3.542 0 40 DHAB CCC[C@H](NC(=O)C1Oc2ccccc2O1)c1cccs1 12200112 DCWYCQUHGPEPOU-NSHDSACASA-N 303.383 3.503 0 40 DHAB Cc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 12871359 JQCXVMCVOCPLAH-ZDUSSCGKSA-N 312.369 3.649 0 40 DHAB C[C@H]1CCCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)C1 13008946 VLOMPVOXNJRKNJ-AWEZNQCLSA-N 309.413 3.622 0 40 DHAB CCOc1cc2c(cc1NC(=O)[C@H]1CC=CCC1)O[C@@H](C)C2 13012271 MTGUZEXKZWUBGX-STQMWFEESA-N 301.386 3.704 0 40 DHAB COc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1 13563458 QIDDFNVEBOTRRG-UHFFFAOYSA-N 320.392 3.638 0 40 DHAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)s1 13939123 CCZFIHFBVUYBIC-UHFFFAOYSA-N 309.884 3.895 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCc4ccccc43)c12 14204565 YDSYTPRGKGZBKB-UHFFFAOYSA-N 319.364 3.612 0 40 DHAB COc1ccccc1CNC(=O)c1ccc(C)c(-n2cccc2)c1 14282887 ZVGQDHDQTWPIRK-UHFFFAOYSA-N 320.392 3.724 0 40 DHAB C[C@@H](NC(=O)CSCc1ccccc1)c1ccc(F)cc1 15403887 XRIHBHCUPDFPSM-CYBMUJFWSA-N 303.402 3.936 0 40 DHAB C[C@H]1N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C1(C)C 17105090 MLMXURVUXDFYOS-MRVPVSSYSA-N 310.319 3.663 0 40 DHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1F 21787807 GZVYSXBBNURVOH-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB CCc1cc(O[C@@H](CC)C(=O)Nc2cc(C)on2)ccc1Cl 21842126 LDVSWNZSJIHPJX-AWEZNQCLSA-N 322.792 3.995 0 40 DHAB Cc1cc2nccc(-c3ncc(C(F)(F)F)cc3Cl)n2n1 22996461 KFMBTFOODWQRNJ-UHFFFAOYSA-N 312.682 3.772 0 40 DHAB C[C@H](NC(=O)CCc1cccnc1)c1ccc2c(c1)CCCC2 23954816 LWNMGZJQZHKHDO-HNNXBMFYSA-N 308.425 3.770 0 40 DHAB O=C(C[C@H]1C=CCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 25841869 ZEEICKIQJUIPRN-AWEZNQCLSA-N 309.413 3.625 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(F)c(F)c2)cc1 25877762 DTXSAKLHNMEWTH-LLVKDONJSA-N 305.324 3.855 0 40 DHAB CN(C(=O)Cc1noc2ccccc12)[C@@H]1CCc2ccccc21 27823383 FSIMQRNZRKUNJV-QGZVFWFLSA-N 306.365 3.516 0 40 DHAB O=C(NC(C1CC1)C1CC1)c1csc(-c2ccsc2)n1 28621002 OLTHEBYSBLGLQV-UHFFFAOYSA-N 304.440 3.790 0 40 DHAB Cc1cccc(COc2ccc(CO)cc2Br)c1 34772913 HGTRLOVQJRRFPJ-UHFFFAOYSA-N 307.187 3.829 0 40 DHAB Cc1cccc(N[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 36394170 SLYYXQPVZUDZFL-KXBFYZLASA-N 308.425 3.989 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)NCCCn1ccc2ccccc21 40024098 GBGIXIBFRDMTOM-WBVHZDCISA-N 313.445 3.909 0 40 DHAB CN(Cc1ccccc1)C(=O)NCCSCc1cccs1 40071187 SGTUNQOVRRJFPN-UHFFFAOYSA-N 320.483 3.823 0 40 DHAB COc1ccc(OC)c([C@@H](C)NCc2cnn(C(C)(C)C)c2)c1 42949449 NEUSHZBHATUPHZ-CYBMUJFWSA-N 317.433 3.506 0 40 DHAB COc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cn1 44866107 DLMQXHHBDLDJQT-UHFFFAOYSA-N 319.723 3.616 0 40 DHAB COc1cccc(C(=O)Nc2ccc(Oc3ncccn3)cc2)c1 48202785 BKHZIBTYYYRWQI-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB Cc1ccc(CC(=O)NCCSCc2ccccc2)s1 57032975 CZRQPEJXWXUEDC-UHFFFAOYSA-N 305.468 3.649 0 40 DHAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCC(C)C)C3 57135142 XONSWLQHQVOAKH-UHFFFAOYSA-N 321.804 3.953 0 40 DHAB CCOC(=O)c1ccoc1CSc1ncnc2ccsc12 57985724 ZHWXDMRDOWCVEU-UHFFFAOYSA-N 320.395 3.753 0 40 DHAB COc1ccccc1C(=O)NCCCO[C@@H](C)c1ccccc1 71838268 GBICIKICXGALAL-HNNXBMFYSA-N 313.397 3.593 0 40 DHAB Nc1ccc(-c2nnc(-c3ccc(N)cc3Cl)o2)c(Cl)c1 73634548 SELMYVGJMNOPOW-UHFFFAOYSA-N 321.167 3.875 0 40 DHAB O=C(NCC[C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 81253596 JWTAWKJYQMJYBX-OAHLLOKOSA-N 324.207 3.847 0 40 DHAB CS[C@@H]1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1 84642956 QPXFLNSKLZAGTR-CMPLNLGQSA-N 324.412 3.787 0 40 DHAB Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@@H](CCC(=O)O)C2 84817262 UIZMALRBRRTKKC-ZDUSSCGKSA-N 319.401 3.774 0 40 DHAB CC1CC(COc2cccc(I)c2)C1 85393080 VROAGVJOOZMQRZ-UHFFFAOYSA-N 302.155 3.716 0 40 DHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC(F)(F)F 89913737 WDOOGDFXMCGACG-QMMMGPOBSA-N 317.336 3.561 0 40 DHAB CC(C)(C)OC(=O)N1CCN(c2cccc3ccccc23)CC1 90635887 SWSYBZJEUSXCHF-UHFFFAOYSA-N 312.413 3.897 0 40 DHAB CC(C)(C)OC(=O)N1CCOc2cc(Br)ccc21 95635124 YTHGOQVVMDXWCZ-UHFFFAOYSA-N 314.179 3.583 0 40 DHAB in-vitro C[C@H](CSc1nc(-c2ccco2)nc2ccccc12)N(C)C 95941665 BRFWIEIGQFFCET-GFCCVEGCSA-N 313.426 3.932 0 40 DHAB FC(F)c1nnc2ccc(N3CCC4(CCCCC4)CC3)nn12 96480978 NQICEPIIXXTAIB-UHFFFAOYSA-N 321.375 3.613 0 40 DHAB Cc1cccc(NC(=O)N(C)[C@H]2CCCc3nc(C)sc32)n1 97142686 NULPKPGORSLMBM-ZDUSSCGKSA-N 316.430 3.696 0 40 DHAB CC1(C)CC(=O)C([C@H]2c3ccccc3O[C@H]3C=CC=C[C@@H]32)C(=O)C1 101022897 PFIATCKNWAZFSM-SOVGHPHASA-N 322.404 3.848 0 40 DHAB O=C(Nc1cccc(Oc2ncccn2)c1)[C@H]1C[C@H]2CC[C@H]1C2 105879443 SQXNLBGCFGNIQG-XEZPLFJOSA-N 309.369 3.644 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N(CC(F)(F)F)c1ccccn1 107341980 XWNIPFAKTPOITK-RWMBFGLXSA-N 312.335 3.803 0 40 DHAB Fc1ccccc1Cn1c(C2=CS[CH]N2)nc2ccccc21 108508880 YOXZXIZHULJSQR-UHFFFAOYSA-N 310.377 3.978 0 40 DHAB CCc1nn(Cc2ccccc2)c(N)c1-c1ccccc1OC 199750719 ZWBFPADPEDYNFW-UHFFFAOYSA-N 307.397 3.752 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2cccc(C)c2)cc1 218971578 DRFRMEDPWMXGNS-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB O=C(Nc1cccc(F)c1)c1cnc(-c2cccc(F)c2)nc1 222621130 XGGIGBSUYMNRCI-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB CCOc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1 224579482 XEBHSVVRYTYNEY-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB NC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225480202 UKCILMULWPRNEF-UHFFFAOYSA-N 319.364 3.904 0 40 DHAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cn1 225899407 WLZMJQUZXMJUQX-UHFFFAOYSA-N 306.406 3.548 0 40 DHAB CCc1ccc(OCC(=O)Nc2cc(Cl)c(C)cc2N)cc1 226358746 SKIDUUJTGQPBPL-UHFFFAOYSA-N 318.804 3.811 0 40 DHAB CCC(CC)N[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585288893 BMJMWILKLDRMJF-GVDBMIGSSA-N 311.853 3.779 0 40 DHAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1 45007 QTESYIWLCFCXCR-INIZCTEOSA-N 322.408 3.549 0 40 DHAB CC1(C)[C@]2(C(=O)N3CCCc4ccccc43)CC[C@@]1(C)C(=O)C2 453288 MNHDPTVCACLTCZ-VQTJNVASSA-N 311.425 3.751 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1 520129 FZUIVNLAQHPONZ-UHFFFAOYSA-N 307.459 3.730 0 40 DHAB biogenic COc1ccc2c(c1)N[C@@H](c1ccccc1C(=O)O)c1cccn1-2 1572096 LLBTWCNJQATOFI-SFHVURJKSA-N 320.348 3.699 0 40 DHAB COc1ccccc1C(=O)c1c(C(=O)O)ccc2ccccc12 1599945 ALAUERBCZIZZMO-UHFFFAOYSA-N 306.317 3.778 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 2767255 MCPITIDDFTXSRE-QGZVFWFLSA-N 303.427 3.733 0 40 DHAB C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1 3367733 XAVFYKYJMSRGPD-SNVBAGLBSA-N 309.287 3.918 0 40 DHAB Cc1ccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1C 4062643 CFFZWUQDCVDQAS-UHFFFAOYSA-N 320.392 3.925 0 40 DHAB Brc1ccc(-c2noc(-c3ccncc3)n2)cc1 4675811 MTNRGCHDDWXKMM-UHFFFAOYSA-N 302.131 3.561 0 40 DHAB CCCCC/C(=C\c1ccccc1)[C@H]1OC[C@H](COC(C)=O)O1 4705586 DIVBJTJVOFKRKN-JQTTXECVSA-N 318.413 3.955 0 40 DHAB COc1ccccc1NC1=NN=C(c2ccccc2F)CS1 5861405 SEUONZYLOCOURK-UHFFFAOYSA-N 315.373 3.753 0 40 DHAB COC(=O)c1cccc(CSc2nc3cc(C)ccc3[nH]2)c1 6292292 GCRBFBRDGSRURT-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB O=C1c2ccccc2N[C@@H](c2cccs2)N1CC(F)(F)F 7113181 WODKXDRQUWIVGC-GFCCVEGCSA-N 312.316 3.877 0 40 DHAB COc1ccc(NC(=S)NCc2ccc(F)cc2)cc1Cl 7351672 VNJFSMXBHGGRCR-UHFFFAOYSA-N 324.808 3.974 0 40 DHAB CCCc1nnc2sc(-c3cccc(Br)c3)nn12 8391988 SYJUOYBZPXMVOR-UHFFFAOYSA-N 323.219 3.568 0 40 DHAB C[C@H](NC(=O)c1cccc(N(C)C)c1)c1cccc(Cl)c1 8393205 TWSFQCKSTROSCE-LBPRGKRZSA-N 302.805 3.897 0 40 DHAB Cc1cc(OC[C@@H](O)CN2CCCC[C@H]2C)cc(C)c1Cl 8552898 QHCAZSIDWTYHKC-CABCVRRESA-N 311.853 3.571 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1C[C@@H](C)C[C@@H](C)C1 8731461 XBDRCLGZZUMWCI-IYBDPMFKSA-N 319.445 3.645 0 40 DHAB CCC(=O)N1CCCc2cc(NC(=O)c3ccccc3)ccc21 8768667 QKKXRJYYQUPZNS-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)cc3)ccc21 9107271 LQYMHLCXMZGNLO-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB CCCCOc1cc(S(=O)(=O)N[C@H](C)CC)ccc1Cl 11614074 GXLLUEWPEBBHSP-LLVKDONJSA-N 319.854 3.596 0 40 DHAB Cc1ccsc1-c1nn2c(-c3cccs3)nnc2s1 12391368 SVOACOHALCRMIZ-UHFFFAOYSA-N 304.425 3.951 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)cc1 12753325 MLFXJOHLRMJOIT-GFCCVEGCSA-N 309.369 3.884 0 40 DHAB CCc1ccc([C@H](C)NCC(=O)Nc2cccc(C(C)=O)c2)cc1 12978686 FJFSQZNOTCAUII-AWEZNQCLSA-N 324.424 3.741 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 15866341 ILSSQILQWIOEHV-ROUUACIJSA-N 319.412 3.745 0 40 DHAB O=C(NCCC1=CCCCC1)C1(c2ccccc2)CCOCC1 16985184 ZTMQROUKVWFSPF-UHFFFAOYSA-N 313.441 3.742 0 40 DHAB Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c(C)c1C 19942935 PQXKVRSCOITFNO-VXGBXAGGSA-N 309.475 3.587 0 40 DHAB Cc1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 23384179 IGJWZCWPDIMPPW-IBGZPJMESA-N 309.409 3.581 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(C)c(F)c2)c1 30273900 HSRMAJWCWWPBRD-LBPRGKRZSA-N 314.360 3.584 0 40 DHAB O=C(c1cc(C2CC2)on1)N(Cc1ccco1)Cc1ccco1 30470069 KKAHBKRWJFENOY-UHFFFAOYSA-N 312.325 3.581 0 40 DHAB O=C1CSC(/C(=C\c2ccccc2)c2nc3ccccc3[nH]2)=N1 31842205 NNMKULLTADOZFY-RAXLEYEMSA-N 319.389 3.775 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)c[nH]1)O[C@H](C)C2 32756307 CGBLAEDYELQMQB-SECBINFHSA-N 320.776 3.643 0 40 DHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Cl)o1 32762434 KIDSGMRAIWVWMS-NSHDSACASA-N 324.833 3.561 0 40 DHAB COc1ccc(/C=C2\SC(=O)N=C2n2nc(C)cc2C)cc1 36633786 AASGMXVDQMBFEL-ZROIWOOFSA-N 313.382 3.663 0 40 DHAB O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1ccc[nH]1 37501612 YBAOZGBOJWHUTH-AWEZNQCLSA-N 319.202 3.755 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc12 40069712 OTJAKWKPACYPGG-DGCLKSJQSA-N 301.390 3.655 0 40 DHAB O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCCC1 42564875 GAGPABANYLYMFD-UHFFFAOYSA-N 304.393 3.926 0 40 DHAB CCCc1n[nH]c(SCc2nc3cc(Cl)ccc3n2C)n1 43242553 OUSYFESEMJIUAM-UHFFFAOYSA-N 321.837 3.590 0 40 DHAB CC(C)c1noc([C@@H](C)Nc2ccc3c(c2)OCCCO3)n1 43801020 RVDXTSHWOAUYAH-LLVKDONJSA-N 303.362 3.527 0 40 DHAB COc1cc(CNC(=O)c2ccco2)ccc1OC1CCCC1 48281525 NOSIBTBZQGUNGK-UHFFFAOYSA-N 315.369 3.540 0 40 DHAB Cc1ccc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)cc1 49169526 SBXFDCSFEPOQGA-HNNXBMFYSA-N 309.369 3.628 0 40 DHAB biogenic,in-vitro OCC1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 52243574 FEIZTJVRQZUEEV-UHFFFAOYSA-N 319.408 3.506 0 40 DHAB Cc1nc(CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)cs1 53933015 ZBSRYLFYHWBOIV-UHFFFAOYSA-N 320.417 3.953 0 40 DHAB Cc1ccc(C(=O)C2CCN(Cc3c(C)noc3C)CC2)cc1 54296202 IDSWMOMVOVZACH-UHFFFAOYSA-N 312.413 3.695 0 40 DHAB O=C(CCSc1ccc(F)cc1)Nc1ccc(Cl)cn1 57807684 NVQGLXMZHAYARH-UHFFFAOYSA-N 310.781 3.995 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1ccnn1C1CCCCC1 57973254 KJHINJQAZKLPSQ-UHFFFAOYSA-N 324.384 3.711 0 40 DHAB COc1ccccc1CC(=O)Nc1cccc(OC(F)F)c1C 58305136 HBRRLXJZKDVFEX-UHFFFAOYSA-N 321.323 3.786 0 40 DHAB COc1ccc(NC(=O)c2nccc3ccccc23)c(OC)c1 60192720 JTXUYVDELMJDEZ-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB Cc1cc(C(=O)N[C@H](C)CCCC(C)C)c2c(C)nn(C)c2n1 61722009 RKAVKTZNWKBXCZ-GFCCVEGCSA-N 316.449 3.530 0 40 DHAB O=C(Oc1ccc(Cl)cc1C(=O)O)c1ccc(Cl)cc1 66143363 KDNZHNLLRIOJJM-UHFFFAOYSA-N 311.120 3.911 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@H]1c1ccccc1F 69753540 LZVVTWAMCUYFCU-UONOGXRCSA-N 316.401 3.580 0 40 DHAB Cc1nn(-c2ccccc2)cc1CNc1ccc2c(c1)OCCO2 69787700 GKPAZIPQTCDQAV-UHFFFAOYSA-N 321.380 3.564 0 40 DHAB Cc1cc(CNS(=O)(=O)c2cccc3ccccc23)c(C)o1 70640431 IBIXMTFKSZLAGX-UHFFFAOYSA-N 315.394 3.528 0 40 DHAB Cc1cc(NC(=O)c2c(F)cccc2Cl)nc(C(C)C)n1 71799430 UMUPHIAPZDZWMZ-UHFFFAOYSA-N 307.756 3.953 0 40 DHAB Cc1nnc([C@@H](C)Nc2cccc(NC(=O)C(C)(C)C)c2)o1 71902421 UVULLHOJOUFRIU-SNVBAGLBSA-N 302.378 3.536 0 40 DHAB CC(C)[C@@H]1CN(C(=O)c2ccnc(Cl)c2)c2ccccc2N1 75092690 RTZKBNYALOLTIJ-AWEZNQCLSA-N 315.804 3.832 0 40 DHAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc2ccccc2c1 76057852 BOUPWRCEYDKMBK-MGPUTAFESA-N 322.452 3.576 0 40 DHAB CCc1noc(CN2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1 83830516 KBIPKHOHFIQBAT-GFCCVEGCSA-N 320.462 3.592 0 40 DHAB C[C@H](C(=O)NCc1cccc(O)c1)c1ccc2ccccc2c1 84603043 RZKZKKYJXGPNTN-AWEZNQCLSA-N 305.377 3.965 0 40 DHAB c1csc(-c2nnc(COc3ccc(-n4cccn4)cc3)o2)c1 89800099 ZSKQWYWSXWFLLC-UHFFFAOYSA-N 324.365 3.563 0 40 DHAB CC(C)c1sc(Cl)nc1C(=O)Nc1ccc2c(c1)OCO2 95474966 QURDMXZKUQREOY-UHFFFAOYSA-N 324.789 3.901 0 40 DHAB Cc1cccc2c1N[C@H](c1ccc3c(c1)CC(C)(C)O3)NC2=O 95948564 FYPPWCGUUUYAFO-KRWDZBQOSA-N 308.381 3.563 0 40 DHAB CCN1Cc2cccc(NC(=O)C3CCC(F)(F)CC3)c2C1 97372935 GMYOZCOILYIOHY-UHFFFAOYSA-N 308.372 3.786 0 40 DHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 169296489 XVMUWRSZIXHJSM-LAQRGFTBSA-N 309.409 3.785 0 40 DHAB Cc1cc([C@H](C)NC(=O)NCc2nc(C)c(C)s2)c(C)s1 174978675 OCTNMTUAZGAYGA-JTQLQIEISA-N 323.487 3.999 0 40 DHAB Cc1cccc(OCCNC(=O)c2ccc(C)cc2Cl)c1 192299129 KZCCEHRRVUDYIU-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB Cc1ccccc1OCCNC(=O)CCSc1ccccc1 223416923 JUWCWTRRERCZRL-UHFFFAOYSA-N 315.438 3.672 0 40 DHAB Nc1cc(C(=O)NC2CC2)ccc1Nc1ccccc1Cl 225423113 FSGZVJNRQDKEQN-UHFFFAOYSA-N 301.777 3.558 0 40 DHAB CCCOc1c(C)cc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225645747 YMOUOSCKRGFGQN-GOSISDBHSA-N 305.418 3.846 0 40 DHAB COc1ccc(NC(=S)NC2(C)CCCCC2)c(OC)c1 225849235 GMHWWVVDVICCIS-UHFFFAOYSA-N 308.447 3.713 0 40 DHAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)nc1C 225907205 UQFAAWLUNIGRBB-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB COc1cc(C(=O)O)cc(CSC)c1OCc1ccccc1 226288404 OEJAUVHLOZGOKX-UHFFFAOYSA-N 318.394 3.835 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cccc2cccnc12 257217569 CZNSHKPJGGKWPB-MRXNPFEDSA-N 320.396 3.634 0 40 DHAB O[C@@H](c1nc(-c2ccc(Oc3ccccc3)nc2)no1)C1CCC1 585133819 WMYMKDMRWVBHIV-MRXNPFEDSA-N 323.352 3.757 0 40 DHAB COc1cc2c3c(c1OC)-c1ccccc1C[C@]3(C)N(C)CC2 1547139907 MRFKZYORENJGNM-FQEVSTJZSA-N 309.409 3.630 0 40 DHAB CN1CCC[C@@H]1c1ccnc(N2CC3(CCCCC3)OC2=O)c1 1848356442 HCYBNNKFVLUDLP-OAHLLOKOSA-N 315.417 3.508 0 40 DHAB c1ccc([C@H]2COC(c3cccc(-c4ccccn4)n3)=N2)cc1 1988182115 QYXGHXWEYNBAAR-GOSISDBHSA-N 301.349 3.662 0 40 DHAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(Cl)cc1 176625 MSTGPZXUKKLXKZ-RIYZIHGNSA-N 301.704 3.824 0 40 DHAB CCN(CC)c1ccc(CC(=O)N[C@@H](C)Cc2ccccc2)cc1 329662 HKOILBCQRPQYMT-KRWDZBQOSA-N 324.468 3.823 0 40 DHAB O=C(Oc1ccccc1)c1cccc(I)c1 364830 JUVUUQHAVRNOAX-UHFFFAOYSA-N 324.117 3.510 0 40 DHAB CC(C)C(NC(=O)CN1C(=O)c2cccc3cccc1c23)C(C)C 555658 PBCJUYKDAMKARB-UHFFFAOYSA-N 324.424 3.597 0 40 DHAB Cc1cccc(-n2ncc3c(Nc4ccccc4)ncnc32)c1 1306809 ICHHVQSVSGAVQI-UHFFFAOYSA-N 301.353 3.868 0 40 DHAB CCOC(CN(C)C(=O)Nc1cccc2ccccc12)OCC 1636966 MURPMTLDBRULFZ-UHFFFAOYSA-N 316.401 3.703 0 40 DHAB Nc1ccc(C(=O)Oc2ccc(CCN3CCCCC3)cc2)cc1 1688838 FPCKPUWGAQJWSQ-UHFFFAOYSA-N 324.424 3.516 0 40 DHAB O=c1c(O)c(-c2cccs2)[nH]c2cc(C(F)(F)F)ccc12 3348813 JUBOFCBKNISZSS-UHFFFAOYSA-N 311.284 3.981 0 40 DHAB COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 4409436 IQBJXRRWJCZELQ-UHFFFAOYSA-N 315.413 3.859 0 40 DHAB O=C(CSC1CCCCC1)OCC(=O)c1ccc(F)cc1 4691187 VYTMFANRNFGPJW-UHFFFAOYSA-N 310.390 3.618 0 40 DHAB COc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 5586760 NKCANXXWHDYIFU-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 6372797 CESCVAJULWQISM-UHFFFAOYSA-N 313.250 3.906 0 40 DHAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)cc1 6595780 NHYCASAPIRSFOF-LBPRGKRZSA-N 303.333 3.630 0 40 DHAB COc1cc(NC(=O)CCSc2ccccc2)cc(OC)c1 6602314 DBXKCFMZTQGPBM-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB COc1ccc(-c2csc(N3CCCCC3)n2)c(OC)c1 7763256 QHZCXRVWWAUCCP-UHFFFAOYSA-N 304.415 3.818 0 40 DHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 8048499 LWYUSPWIWFNLMM-OAHLLOKOSA-N 315.438 3.774 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)CCC2 8231231 VRJSVKPYYDWQCB-UHFFFAOYSA-N 304.393 3.629 0 40 DHAB C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccn1 8345283 NDIFQBRJGOZPEN-LBPRGKRZSA-N 318.804 3.747 0 40 DHAB Cc1cc(-c2nn(-c3ccccc3)cc2C=O)cc2c1O[C@@H](C)C2 8549123 RPDGSUSXIYHXDF-AWEZNQCLSA-N 318.376 3.984 0 40 DHAB C[C@H](Sc1ccccc1NC(=O)C1CCCCC1)C(=O)O 8732960 CYYCNLBOQJVLPJ-NSHDSACASA-N 307.415 3.771 0 40 DHAB Cc1cc(NC(=O)c2ccco2)c(C)cc1NC(=O)c1ccco1 9314568 KXAYWHKBNLEAKU-UHFFFAOYSA-N 324.336 3.994 0 40 DHAB O=C(NCCSCc1cccs1)Nc1ccccc1F 9388663 OJERDEQXZZAEJC-UHFFFAOYSA-N 310.419 3.942 0 40 DHAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O)c12 9738548 VLIGFVSYYSWUCV-UHFFFAOYSA-N 322.242 3.915 0 40 DHAB C[C@@H]1C[C@@H](OC[C@@H](O)CN(C)C2CCCCC2)CC(C)(C)C1 12169852 SVDPJYRFEFQLLO-BPQIPLTHSA-N 311.510 3.843 0 40 DHAB COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@@H]2C)cc1 12809946 HHWGKKRJFHZDRY-ZQIUZPCESA-N 304.434 3.581 0 40 DHAB Cc1cc(OCC(=O)N[C@H]2CCc3ccccc32)ccc1Cl 12821902 RKOJHJOQRCMDAK-KRWDZBQOSA-N 315.800 3.831 0 40 DHAB Cc1ccc(NCC(=O)N2CCSc3ccccc32)cc1F 12908366 RLPWHNISTMWDLB-UHFFFAOYSA-N 316.401 3.685 0 40 DHAB Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 13102096 BVAUQWGJRDJXQD-SFHVURJKSA-N 324.424 3.697 0 40 DHAB O=C1c2cccc3cccc(c23)N1CN1CCc2sccc2C1 14160774 UUPHLGOALNHRJU-UHFFFAOYSA-N 320.417 3.877 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 14185022 HHJUBNUHAPFOAW-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB CCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 14258037 RNXYQPMAUQRRLN-UHFFFAOYSA-N 320.414 3.956 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2cccnc12 14517360 JUDVKOXMYOBOES-GFCCVEGCSA-N 310.328 3.780 0 40 DHAB COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1OC 16484110 DXXHKDHDTKYAID-UHFFFAOYSA-N 317.410 3.743 0 40 DHAB O=C(Cc1c(F)cccc1Cl)N1CCc2sccc2C1 22285444 HXUJSVYETPYOOD-UHFFFAOYSA-N 309.793 3.668 0 40 DHAB O=C(CCc1ccccc1O)Nc1nc2c(s1)CCCCC2 22375470 MNIPPDAZJQWDIP-UHFFFAOYSA-N 316.426 3.689 0 40 DHAB CCn1cnnc1-c1cccc(NC(=O)/C=C/c2cccs2)c1 25287205 ZMWQFKCWWCPPLO-CMDGGOBGSA-N 324.409 3.678 0 40 DHAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 28384093 GGAWBWZDPWNXQA-ABAIWWIYSA-N 322.330 3.583 0 40 DHAB COCc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 29144062 HNTZLIIRSITEJD-UHFFFAOYSA-N 308.381 3.886 0 40 DHAB COc1ccc(NC(=O)CCc2ccccc2Cl)cc1OC 29699399 USRZDSWGUNZMHS-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB Cc1ccsc1C(=O)NCCc1ccc(OC(F)F)cc1 32739422 CKRUKEWKSIHMIK-UHFFFAOYSA-N 311.353 3.630 0 40 DHAB COc1cccc(CNC(=O)c2sc(C(C)C)nc2C)c1 32924103 FGKYIUOPSNUBCW-UHFFFAOYSA-N 304.415 3.514 0 40 DHAB Cn1c2c(c3ccccc31)CN(C(=O)NC1CCCCC1)CC2 34928396 FNOCEZZIISKLKY-UHFFFAOYSA-N 311.429 3.579 0 40 DHAB Cc1cccc(C(=O)NCCCN(C)Cc2ccccc2)c1C 40017224 AJNWUBNNWXPNRN-UHFFFAOYSA-N 310.441 3.555 0 40 DHAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)[C@@H]1CCCO1 41134430 NRASYENPRNQCJM-DZGCQCFKSA-N 321.829 3.786 0 40 DHAB O=C(C[C@H]1CCCO1)N1CCC[C@H]1c1nc2ccccc2s1 47072119 FJQOJYVWDMBMRT-OCCSQVGLSA-N 316.426 3.529 0 40 DHAB Cc1cccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)c1 51354026 HRUMKCVYVMLDOC-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CC(=O)Nc1cc(C(=O)N2CCC[C@H]2C2CCCC2)ccc1F 54138872 CNGZXKBSVZDYHL-KRWDZBQOSA-N 318.392 3.579 0 40 DHAB C[C@@H](c1ccco1)N(C(=O)c1cc2ccccc2oc1=O)C1CC1 56181550 ZWWXVRMOBJFLIW-LBPRGKRZSA-N 323.348 3.752 0 40 DHAB Cc1ccc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)c(F)c1 58045584 PYNCYXXATABWOQ-UHFFFAOYSA-N 324.396 3.720 0 40 DHAB Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1C 58230990 JGKUCSGVOVOVTB-UHFFFAOYSA-N 310.353 3.512 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1 59267357 VVTXQHYVNNERJE-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB O=C(CCc1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 62144416 VIHYHZMXSOQTBY-UHFFFAOYSA-N 312.388 3.997 0 40 DHAB CCC[C@@H](C)N(C(=O)CC)c1nc(C)c(C(=O)OCC)s1 71914628 ZKWOLZNCYVIMDD-SNVBAGLBSA-N 312.435 3.560 0 40 DHAB COc1ccc(-c2nc(-c3cn(C)nc3C)cs2)cc1OC 78644199 GJCNFUKVLRTZPB-UHFFFAOYSA-N 315.398 3.536 0 40 DHAB Cc1cccc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1Cl 81091987 ZNIXMOAQOPJYJV-GFCCVEGCSA-N 318.808 3.783 0 40 DHAB COC(=O)c1cc(C(C)=O)ccc1OCc1ccc(Cl)cc1 85397448 GQJBFOGRMCVRTP-UHFFFAOYSA-N 318.756 3.908 0 40 DHAB Cc1ccc(NC(=O)CCN[C@@H](C)c2ccncc2)c(Cl)c1 89669700 WCFFFFXYJUWWNK-ZDUSSCGKSA-N 317.820 3.723 0 40 DHAB O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@H]1c1ccncc1 89884931 SXWGKMBRYWJTFZ-AWEZNQCLSA-N 320.751 3.557 0 40 DHAB COC(=O)c1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 91695440 MLWZMCVKBZSBDR-UHFFFAOYSA-N 324.302 3.620 0 40 DHAB Cc1csc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 95413242 PDCDDWPMQCJPNE-GJZGRUSLSA-N 320.458 3.913 0 40 DHAB O=C(C1CCCC1)N1CC[C@@H](N[C@@H]2CCCc3sccc32)C1 95423912 KPNPBGLPBDAABH-GDBMZVCRSA-N 318.486 3.506 0 40 DHAB CC(=O)N(CCc1nc(-c2ccc(F)cc2F)cs1)C(C)C 95439151 CZYMWWXJGDWZTK-UHFFFAOYSA-N 324.396 3.888 0 40 DHAB O=C(N1Cc2ccccc2-c2ccccc2C1)C1(O)CCCC1 95952840 FZEPUIMIHMNJQB-UHFFFAOYSA-N 307.393 3.501 0 40 DHAB CSCc1ccc(Cl)c(NC(=O)N[C@@]2(C)CCOC2)c1 95975248 ASLZJNQXRTTYJW-AWEZNQCLSA-N 314.838 3.504 0 40 DHAB COc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1O 96662888 OQEGICHTISPPBI-GHXNOFRVSA-N 301.729 3.547 0 40 DHAB Cc1nc(-c2cccc(N[C@H](C)CCn3cncn3)c2)cs1 97037125 UHSHHFKCRQEFOV-GFCCVEGCSA-N 313.430 3.601 0 40 DHAB CC(=O)c1c(O)cc2c3c1OC(C)(C)[C@H]1CC[C@@](C)(C[C@@H]31)O2 103047530 AHFQKUOGPHVZLT-DDBGAENHSA-N 302.370 3.801 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 106858206 OGEMETWMVAMJBN-QEWYBTABSA-N 300.446 3.994 0 40 DHAB Cc1ccn2c(-c3nnc(-c4ccccc4F)o3)c(C)nc2c1 216605665 GEPKESBIYAGROG-UHFFFAOYSA-N 308.316 3.807 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)NCC1=CCCCC1 223367014 CGFUBVQRRPFJBD-UHFFFAOYSA-N 314.212 3.989 0 40 DHAB C[C@@H](COc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 225311442 UFOQXZAEVAPHPQ-AWEZNQCLSA-N 317.816 3.856 0 40 DHAB O=C(/C=C/c1ccsc1)NCC[C@H](O)c1cccc(Cl)c1 225609929 ORSNMQKXCAHYSV-RGDDUWESSA-N 321.829 3.655 0 40 DHAB O=C(Nc1cccc(-c2ccc(C(=O)O)o2)c1)c1ccccc1 226355809 WMNMVPTYHGBYLA-UHFFFAOYSA-N 307.305 3.897 0 40 DHAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)Nc1ccccc1 227153735 KLZVRALFMUTPMI-UHFFFAOYSA-N 321.380 3.668 0 40 DHAB CC(C)Nc1cccc(F)c1NCc1ncnn1C(C)(C)C 252481352 CJOGEMAOJRBLJZ-UHFFFAOYSA-N 305.401 3.605 0 40 DHAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 253571932 POIZLOBITIUNSS-RNIPGJKVSA-N 315.372 3.665 0 40 DHAB CCn1cc(C(=O)Nc2ccccc2C)c(=O)c2cc(C)ccc21 408713212 OHNRSPMLPYNPKW-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB Cc1ccc2nc(N3CC(Cn4cc(Cl)cn4)C3)sc2c1 2069628977 UHAHMGXLWIINOE-UHFFFAOYSA-N 318.833 3.591 0 40 DHAB Clc1cccc2nnc(-c3ccc(Br)cc3)n12 91000 ZCEQMILDKVERNN-UHFFFAOYSA-N 308.566 3.812 0 40 DHAB CC(C)CCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 299575 YTDGZYPJTJYPKB-UHFFFAOYSA-N 322.880 3.714 0 40 DHAB Cc1c(CCNC(=O)C(F)(F)F)ccc2c1[nH]c1ccccc12 1717245 WGAXBVYGPSFPGI-UHFFFAOYSA-N 320.314 3.851 0 40 DHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccco1 3554614 GINRYDAMIRNIJU-UHFFFAOYSA-N 306.293 3.934 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(F)cc1 3602915 OWXPLTIQMSTLRV-LLVKDONJSA-N 307.752 3.735 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccs1 4925819 IABIYTOOSMENMY-MGPQQGTHSA-N 324.442 3.909 0 40 DHAB CCC/C=C(\CC)[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 5417250 DMZJJDDAKLEIIG-MVIRQZGPSA-N 312.413 3.944 0 40 DHAB CC(=O)c1ccc2c(c1)C[C@]1(C2)Cc2cc3c(cc2C1)C(=O)CC3 5713141 JQIMPXNUWOWHDI-JOCHJYFZSA-N 316.400 3.902 0 40 DHAB Cc1cnc(NC(=O)COc2cc(C(C)C)ccc2C)s1 6206125 KEWMAHSFQJFRGQ-UHFFFAOYSA-N 304.415 3.901 0 40 DHAB CC(=O)Nc1ccccc1OCc1coc(-c2cccs2)n1 7263227 SNZUIGWUHCQXOT-UHFFFAOYSA-N 314.366 3.941 0 40 DHAB CC(=O)c1cccc(NC(=O)C[C@@H](C)n2nc(C)c(C)c2C)c1 7636113 MZFJWRDKUQRLIN-LLVKDONJSA-N 313.401 3.601 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 7882567 YYNGNJRIMNCHRI-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB O=Cc1cccc(OCc2nc(-c3ccccc3Cl)no2)c1 8006822 XQDUURDZFPLOIF-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)NC1CCCCCCC1 8050595 RMFWYBPVPPUPCP-CQSZACIVSA-N 305.418 3.692 0 40 DHAB Cc1csc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 8706003 JAJIGGBOSLXCIQ-CYBMUJFWSA-N 322.430 3.703 0 40 DHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC(C)(C)C 8714747 HRZHHQCSOKHEKC-UHFFFAOYSA-N 319.854 3.514 0 40 DHAB O=C(Nc1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 8941130 BPPRZYJRJOTQHL-UHFFFAOYSA-N 321.380 3.683 0 40 DHAB CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccccc2)cc1 9957380 KOPSOOHFMPKVBQ-LJQANCHMSA-N 322.408 3.551 0 40 DHAB CCc1nccn1CCCNC(=O)c1ccc(C(C)(C)C)cc1 10313805 RIXLTUZEOVENPU-UHFFFAOYSA-N 313.445 3.563 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccccc2)c2c1[C@H](C)CC2=O 11052448 WBBXVZRAEIFYRU-CYBMUJFWSA-N 309.365 3.702 0 40 DHAB CC1(C)[C@H]2CC[C@H](C2)[C@H]1C[C@@H]1OC[C@@H](CN2CCCCC2)O1 12318022 IUQYLYYXKZJRJM-CWQOZTLDSA-N 307.478 3.676 0 40 DHAB C[C@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(Cl)cc1 12545627 VAJYYVHZRQMKCN-NWDGAFQWSA-N 303.793 3.856 0 40 DHAB CN(C)C(=O)c1ccc(CNc2nc3ccccc3s2)cc1 12767949 PFYMVISXLQKWLA-UHFFFAOYSA-N 311.410 3.610 0 40 DHAB CSc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 12906046 DESAVCZVRGUAGW-UHFFFAOYSA-N 315.394 3.709 0 40 DHAB COc1ccc(C)cc1CC(=O)NCc1ccc(Cl)cc1 14171298 DWEAQLIZTBSZOF-UHFFFAOYSA-N 303.789 3.516 0 40 DHAB CC(C)Cc1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 14380485 UQWIPIAGLIRZET-UHFFFAOYSA-N 319.430 3.776 0 40 DHAB Cc1cc(OCC(=O)N[C@H](C)c2cccs2)ccc1Cl 14602960 WINGIOPJCPVHRW-LLVKDONJSA-N 309.818 3.966 0 40 DHAB Cc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)o1 14902604 RUCXGRHRLPHXAF-UHFFFAOYSA-N 306.268 3.690 0 40 DHAB COc1ccc(-c2nnc([C@H](C)N3CCC(C)CC3)o2)cc1 15471044 LDCZOMBMNRJIKE-ZDUSSCGKSA-N 301.390 3.538 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2cccc(SC)c2)c1 20447863 GFIKCJUSJUYAKV-UHFFFAOYSA-N 317.410 3.607 0 40 DHAB COc1ccc2ccccc2c1CNC[C@H](O)c1ccccc1 22076117 NHKBCGFFWHWTST-IBGZPJMESA-N 307.393 3.672 0 40 DHAB O=C(OC[C@H]1CCCO1)c1cc2c(s1)-c1ccccc1CC2 24710100 UJXPVRRTQDAZCY-CQSZACIVSA-N 314.406 3.850 0 40 DHAB CCc1cccc(C)c1NC(=O)CSc1c(C)n[nH]c1C 27756558 RQWBZJZCICHXSA-UHFFFAOYSA-N 303.431 3.628 0 40 DHAB COc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)c1 27992702 GSHSNSJVEHMDEL-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB CCC(=O)n1c(C(=O)N[C@H](C)c2ccccc2)nc2ccccc21 28115824 PMVCRVKPYIDGJF-CYBMUJFWSA-N 321.380 3.578 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 32645843 GMOZCCJXSZPVSC-BXUZGUMPSA-N 312.344 3.673 0 40 DHAB CCc1cc2c(N(C)Cc3nc4ccccc4[nH]3)ncnc2s1 32824976 ZMZYBBHCXDCCFX-UHFFFAOYSA-N 323.425 3.766 0 40 DHAB CCC[C@@H](CC(=O)O)c1cc(Br)ccc1OC 36178853 OUFKCUDWVWMBHK-VIFPVBQESA-N 301.180 3.816 0 40 DHAB CCOc1cc(/C=C/C(=O)NC2CCCCC2)ccc1OC 36729205 CQNIBMCWXMILQE-ZRDIBKRKSA-N 303.402 3.556 0 40 DHAB COc1ccc(NCc2cc(Cl)c(OC)c(OC)c2)cc1 37216163 AMMVRMFBVHOWLP-UHFFFAOYSA-N 307.777 3.978 0 40 DHAB Clc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 37370026 GEPPWBCPYIBEHQ-UHFFFAOYSA-N 302.790 3.681 0 40 DHAB in-vitro CCOC(=O)/C(=C/c1ccc(F)cc1)CC(=O)OC(C)(C)C 38296160 CYELPLPLQCGHEV-JLHYYAGUSA-N 308.349 3.504 0 40 DHAB CC(C)N(C(=O)CNc1cc(F)ccc1F)c1ccccc1 40007948 WBWDXNSLENWDFZ-UHFFFAOYSA-N 304.340 3.818 0 40 DHAB CC[C@H](C)c1noc([C@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 41123668 VWJJONLBRBCKMS-AAEUAGOBSA-N 317.389 3.504 0 40 DHAB Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(N(C)C)c(F)c1 58011033 MULVSZYCBAWZDT-CQSZACIVSA-N 314.404 3.561 0 40 DHAB COc1c(CN[C@@H](c2ccc(Cl)cc2)C2CC2)c(C)nn1C 58416396 HTMICFKRQVACNN-MRXNPFEDSA-N 319.836 3.631 0 40 DHAB O=C(Nc1cccnc1)c1cc(Cc2ccccc2)ccc1O 60349381 YLCUJGZSXVDJGL-UHFFFAOYSA-N 304.349 3.630 0 40 DHAB Cc1noc(C)c1CSc1nnc(Cc2cccs2)o1 66262039 QRBKERJPRLYWIB-UHFFFAOYSA-N 307.400 3.619 0 40 DHAB O[C@@H](c1ccc(Cl)cc1)C1CCN(c2ccccn2)CC1 67373819 RBCMWKKPBFQYFZ-KRWDZBQOSA-N 302.805 3.685 0 40 DHAB COc1ccc(NC(=O)N(C)[C@@H](C)c2sc(C)nc2C)cc1 69745115 IRPFVRXAHMIYHJ-NSHDSACASA-N 319.430 3.993 0 40 DHAB O=C(Nc1c(F)cccc1Oc1ccccc1)[C@H]1CCOC1 69898069 AGDWFCJHOJECSW-LBPRGKRZSA-N 301.317 3.593 0 40 DHAB O=C(/C=C/c1nccs1)N1CCC[C@H]1CCc1ccccc1 70039654 JTESQVJDYTXURZ-OFAQMXQXSA-N 312.438 3.780 0 40 DHAB CCOc1cccc(CNC(=O)c2ccc3ncccc3c2)c1 71121452 AJNBWEYFRHMDIQ-UHFFFAOYSA-N 306.365 3.564 0 40 DHAB Cc1noc(C)c1[C@H]1CC(O)=Nc2c1cnn2C1CCCC1 71281863 IGKWWZYZKNFPQN-LBPRGKRZSA-N 300.362 3.727 0 40 DHAB Nc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72212447 QBMPZEKLHLXIQW-INIZCTEOSA-N 311.385 3.528 0 40 DHAB CCCNc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72213132 IVRSJQYWJOJZDE-CQSZACIVSA-N 305.422 3.976 0 40 DHAB O=C(c1cccc2ncccc12)N1CCC(c2ccncc2)CC1 72346590 RDAKUHVGJKDNMH-UHFFFAOYSA-N 317.392 3.650 0 40 DHAB CCN(CC)CCSCC(=O)Nc1cccc(Cl)c1C 76059106 IPDICJMTBBZNGP-UHFFFAOYSA-N 314.882 3.662 0 40 DHAB O=C(Nc1ccc2c(c1)oc1ccccc12)N[C@@H]1C=C[C@H](CO)C1 78993012 SQMJLKMTDOSFTL-QWHCGFSZSA-N 322.364 3.645 0 40 DHAB COC(=O)Nc1ccccc1C(=O)N(C)Cc1ccc(C)s1 79046835 ZWGCYFKHHYAMRE-UHFFFAOYSA-N 318.398 3.507 0 40 DHAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1ccccc1 79188650 CVKZCYPNRMKDEP-AWEZNQCLSA-N 306.317 3.542 0 40 DHAB biogenic CC[C@H](C)Sc1ccc(NC(=O)N[C@@H]2CCOC2)c(C)c1 89942335 JWRSQZPRBAKZEO-QWHCGFSZSA-N 308.447 3.796 0 40 DHAB CC(C)[C@H](NC(=O)[C@@H]1CSc2ccccc21)c1ccncc1 95398498 DITYBNIWMMRVOK-WBVHZDCISA-N 312.438 3.784 0 40 DHAB Cc1ccc(C)c2c(C)c(C(=O)N3CCC(C)(CO)CC3)oc12 95941065 HSVASTQHJLZSSG-UHFFFAOYSA-N 315.413 3.593 0 40 DHAB O[C@@H](Cn1ccnc1-c1cccs1)c1c(F)cccc1F 95974658 DFASOXHSLAHUQR-LBPRGKRZSA-N 306.337 3.623 0 40 DHAB O=C(N[C@@H](c1ccc(F)cc1)c1ccccn1)[C@H]1C[C@H]2C=C[C@H]1C2 100794314 HWQSLOBZQXURFZ-CJCBUOBESA-N 322.383 3.639 0 40 DHAB Cc1ccc2cc(CNc3cccc4c3OCC[C@@H]4O)ccc2n1 189435198 FAHUOGKWJZBDFA-IBGZPJMESA-N 320.392 3.971 0 40 DHAB CCOCc1cc(C(=O)Nc2c(F)cccc2F)ccc1OC 224405796 UMHPBFQRXPETTF-UHFFFAOYSA-N 321.323 3.762 0 40 DHAB COc1ccc(C)cc1Nc1ccc(N)cc1C(=O)OC(C)C 225481831 UUVSOYQGNUCIMH-UHFFFAOYSA-N 314.385 3.895 0 40 DHAB O=C(Cc1cccs1)NCc1cccnc1-c1ccsc1 225644321 HKVDNQVIZIJTQD-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB CC(C)Oc1ccc(NC(=S)NCCCc2ccco2)cc1 225805462 VNRWVZQUKLOHMR-UHFFFAOYSA-N 318.442 3.986 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)nc1)c1c[nH]c2ccccc12 575414381 HLVMFYYHDCYEJN-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB Cc1noc(C)c1C(=O)NCc1ccc(-c2cccs2)o1 575609615 YZJVBVACOQNPCR-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB C[C@@H](NC(=O)c1cc(N)ccc1O)c1cccc2ccccc12 1857794587 CGQRPLPTHLSVEQ-GFCCVEGCSA-N 306.365 3.619 0 40 DHAB CC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1cccs1 129205 BZYXWMMRCOIOQK-UHFFFAOYSA-N 310.378 3.676 0 40 DHAB Cc1cc(C)nc(Sc2ncnc3sc4c(c23)CCC4)n1 383012 MYSIXZKTVYYSLL-UHFFFAOYSA-N 314.439 3.738 0 40 DHAB C[C@@H](c1ccc(-n2cccc2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 2731300 ZAHJMIQFVVBMOU-JCGIZDLHSA-N 322.408 3.714 0 40 DHAB O=C(COC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 3398621 YLVKRAPDAVPALG-UHFFFAOYSA-N 323.270 3.501 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c(O)c1 3569982 IUCFEIJHVUSJEM-UHFFFAOYSA-N 320.186 3.644 0 40 DHAB Cc1cc(NS(=O)(=O)c2c(C)noc2C)ccc1C(C)C 3997646 NLBNTTRVRQBDKL-UHFFFAOYSA-N 308.403 3.524 0 40 DHAB C[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]12 4353238 KNJHGAIWASQHSB-QHWILLEASA-N 312.365 3.603 0 40 DHAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccco1 4488155 LGDDASAJLLCPQZ-UHFFFAOYSA-N 310.309 3.686 0 40 DHAB COc1ccccc1C(=O)NCCOc1cccc2ccccc12 5746437 OWHKWTWCXVAUEZ-UHFFFAOYSA-N 321.376 3.657 0 40 DHAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc3ccccn23)c1 6114956 YPMDGEZMFSAWPM-CYBMUJFWSA-N 311.410 3.710 0 40 DHAB CN(C)CC[C@@H](CCc1ccccc1)OC(=O)c1ccccc1 6437060 CURSGSSOOSTNLO-LJQANCHMSA-N 311.425 3.797 0 40 DHAB CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NC)cc1 7038940 UCUNAECNJOEXFV-UHFFFAOYSA-N 319.408 3.770 0 40 DHAB COc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1OC 7078157 XKANCGCFFCDPOF-MRXNPFEDSA-N 319.426 3.892 0 40 DHAB C[C@@H](NC(=S)NC(=O)C(C)(C)C)C12CC3CC(CC(C3)C1)C2 9140405 WMWCKMHYAJDTGL-HDPALTEOSA-N 322.518 3.628 0 40 DHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1O 13005663 OTENROQMULTMLI-LLVKDONJSA-N 305.761 3.760 0 40 DHAB COc1cccc(-c2cc3nc4c(c(Cl)n3n2)CCCC4)c1 13562833 JVXYQFLKASVJPW-UHFFFAOYSA-N 313.788 3.937 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 13709718 RAJBSDOUSUTPKK-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 13784826 DBXPNVANMQOOSH-GRUGVGOFSA-N 310.180 3.529 0 40 DHAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(C)cc1 14001503 QNHASOGIVQQVHF-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB O=C(NC[C@H]1CCCO1)c1ccc(Oc2ccc(F)cc2)cc1 14129375 SPIFTYYQAFAFOP-QGZVFWFLSA-N 315.344 3.527 0 40 DHAB CCCCCC(=O)NC(=S)Nc1ccccc1OC(F)F 14257741 RFDJHRBVVXPLFK-UHFFFAOYSA-N 316.373 3.681 0 40 DHAB COc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1OC(C)C 15797161 IVVRSBQBAHTFRP-HIFRSBDPSA-N 305.418 3.791 0 40 DHAB CCOc1ccc(NC(=S)Nc2cc(C)ccc2O)cc1 17030830 RJALNUYFMKLTLB-UHFFFAOYSA-N 302.399 3.908 0 40 DHAB Cc1cc(C)nc(-n2nc(-c3ccccc3Cl)nc2Cl)n1 22125587 RHGXTNFAXOKELI-UHFFFAOYSA-N 320.183 3.648 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1 22520664 UMJRLSXFBHESFQ-OAHLLOKOSA-N 309.287 3.900 0 40 DHAB O=C(C[C@H]1C=CCC1)Nc1ccccc1C(=O)NCc1ccco1 24720171 MKECKHAWRKIGLO-AWEZNQCLSA-N 324.380 3.504 0 40 DHAB CCCCC[C@H](C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 29472423 ZBKGRDKOSRWRJP-GXTWGEPZSA-N 309.837 3.976 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CCN1C[C@H](C)C[C@@H](C)C1 32870693 OWZRFNQQJWYJSP-CHWSQXEVSA-N 324.852 3.655 0 40 DHAB CC[C@@](C)(Nc1ccccc1)c1nnnn1-c1ccc(C)cc1 35622112 KRPCCOCJSIVBFP-GOSISDBHSA-N 307.401 3.708 0 40 DHAB Cc1n[nH]c(-c2ccccc2NC(=O)c2ccc(C)c(C)c2)n1 36397987 FUBGVQHVIGIQNT-UHFFFAOYSA-N 306.369 3.649 0 40 DHAB Cc1cccc(C)c1NC(=S)NC[C@H](C)N1CCCC[C@@H]1C 36847522 DUDCZGJOECMPLN-HOTGVXAUSA-N 319.518 3.853 0 40 DHAB COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1N 41166660 JQUYYIJWUCHSQC-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB COc1ccccc1CN(c1ncnc2sccc12)C1CC1 52472672 UXSGUWBSJIIFNL-UHFFFAOYSA-N 311.410 3.869 0 40 DHAB CN(C(=O)NCc1cc2ccccc2[nH]1)[C@H]1CCc2ccccc21 57645484 JQZIGORSMBUEFX-IBGZPJMESA-N 319.408 3.997 0 40 DHAB C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 58160749 GWKFRPFDMSUKOX-HNAYVOBHSA-N 320.436 3.631 0 40 DHAB CS(=O)(=O)c1ccccc1N[C@H]1CCCc2sccc21 61327368 XCCYVUCQECRCRT-LBPRGKRZSA-N 307.440 3.641 0 40 DHAB Cc1ccc(OCCCC(=O)OCCCc2cccnc2)cc1 68375377 OCIYZCKPODAKDY-UHFFFAOYSA-N 313.397 3.725 0 40 DHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(O)c1 71185352 HDDVKNDAEZKVIJ-CYBMUJFWSA-N 309.365 3.901 0 40 DHAB Cn1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc2ccccc21 71817292 CKTRLPUWHBNLNB-GFCCVEGCSA-N 310.319 3.593 0 40 DHAB CCc1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cs1 72391488 DZCZQLDOHGEVHK-NSHDSACASA-N 319.426 3.819 0 40 DHAB Clc1ccc(CNC2(c3ccccc3)CCOCC2)cn1 72633002 OERUCBRYCFMHIT-UHFFFAOYSA-N 302.805 3.531 0 40 DHAB CC(=O)c1ccccc1C(=O)N1C[C@H](c2ccsc2)C[C@H]1C 73939845 SSENGCHOQIQLBD-IUODEOHRSA-N 313.422 3.969 0 40 DHAB Cc1sc(NC(=O)C2CC2)c(C(=O)N(C)CC2CCC2)c1C 89558760 VUWUXSARCMYKHW-UHFFFAOYSA-N 320.458 3.586 0 40 DHAB CN(C)c1ncc(C(F)(F)F)cc1-c1cccc(C(=O)O)c1 91695917 WGFJTMGJNYCYFC-UHFFFAOYSA-N 310.275 3.532 0 40 DHAB CCc1nc(CN(C)C(=O)[C@H]2CSc3ccccc32)cs1 95398465 DXYAAXDCESWOGU-ZDUSSCGKSA-N 318.467 3.553 0 40 DHAB CO[C@@H](C(=O)N(Cc1ccccc1)CC(F)F)c1ccccc1 95436755 PTQFJFRFLOGDLN-QGZVFWFLSA-N 319.351 3.668 0 40 DHAB CC(=O)NCCCS[C@H](C)c1ncc(-c2ccccc2)o1 95965962 SUKJFDLDNFFXJE-GFCCVEGCSA-N 304.415 3.662 0 40 DHAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1cccc(N2CCCC2)c1 96461661 AJSNAFTXUAUQPU-WBAXXEDZSA-N 324.424 3.861 0 40 DHAB Cc1cc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)on1 97086522 JFMBQQZSPMQSHW-GFCCVEGCSA-N 324.302 3.632 0 40 DHAB Cn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cccc(F)c21 100909171 LHOFZWFPNPDKDC-SDXDJHTJSA-N 320.776 3.773 0 40 DHAB CC1(C)CC2=Nc3ncnn3[C@H](c3ccccc3F)C2=C(O)C1 102928721 SEEPNGFCRNRONX-OAHLLOKOSA-N 312.348 3.725 0 40 DHAB C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccccc1 113139065 XKSYUMRCBPYFNT-LSDHHAIUSA-N 304.434 3.516 0 40 DHAB C[C@@H](C[C@@H](O)c1ccco1)NC1CCC(C(F)(F)F)CC1 123476271 WIVIAKIZNNRZAZ-YWPUVAFDSA-N 305.340 3.802 0 40 DHAB C[C@@H]1CCN(C(=O)[C@H]2CC2(Cl)Cl)[C@@H](c2ccco2)C1 195531437 ZRSZAQWZFHIODT-GMTAPVOTSA-N 302.201 3.773 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccsc1)c1ccccc1Cl 206851259 DHDZWIQVCLEUMZ-LQYUOIDQSA-N 321.829 3.919 0 40 DHAB O=C(CC(F)(F)F)N1CCS[C@@H](c2cccs2)CC1 219515919 RPNOJLGLRZGRCZ-SNVBAGLBSA-N 309.378 3.707 0 40 DHAB CC[C@@H](CNC(=S)Nc1ncccc1C)Cc1ccccc1 225633696 PXYTWDQVXHBZQF-OAHLLOKOSA-N 313.470 3.945 0 40 DHAB COc1ccc(NC(=S)NC2(C3CC3)CCCC2)c(OC)c1 225849111 KASYEYXWIDAVFY-UHFFFAOYSA-N 320.458 3.713 0 40 DHAB CCCOC(=O)c1cc(-n2cccc2)ccc1N(CC)CC 226276568 DVOSPMUDSFOXMB-UHFFFAOYSA-N 300.402 3.890 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)cc1)c1cc(C2CC2)on1 390829309 DMCFDXLYJVICOE-UHFFFAOYSA-N 308.337 3.742 0 40 DHAB C=C1CCN(Cc2csc(-c3ccc(C(=O)O)cc3)n2)CC1 568281707 YSDHZSJPJXMCPH-UHFFFAOYSA-N 314.410 3.660 0 40 DHAB FCc1cc2c(I)cccc2nc1Cl 685937137 JSZYOBYUVXFCIG-UHFFFAOYSA-N 321.520 3.962 0 40 DHAB Fc1ccccc1CCNc1ncnc2c1[nH]c1ccccc12 543446 RRHJMNOPSCZDSD-UHFFFAOYSA-N 306.344 3.905 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2ccc3ccccc3c2O)cc1 563636 QOIZYPTUDPMANZ-UHFFFAOYSA-N 320.344 3.894 0 40 DHAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C(F)(F)F 822786 ZVIJESCCXLZOSA-UHFFFAOYSA-N 305.259 3.731 0 40 DHAB COc1ccccc1OCc1ccc(C(=O)N2CCCC2)cc1 998967 PTGLRDGICLZVIA-UHFFFAOYSA-N 311.381 3.510 0 40 DHAB Nc1nc(C2CC2)c(Sc2sc(N)nc2C2CC2)s1 2492119 SEUQSBBGEOQXPO-UHFFFAOYSA-N 310.473 3.670 0 40 DHAB O=C1[C@H]2[C@H]3CCCC3=C3CCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 4015836 IXKILPKLNITMJR-XLAORIBOSA-N 307.393 3.703 0 40 DHAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1Cl 4027758 OGSUSYWHICVFPZ-XJKSGUPXSA-N 307.821 3.761 0 40 DHAB biogenic O=C(C1CC1)N(Cc1ccccn1)c1nc2ccccc2s1 4304753 ACQKPGNZZNSYSR-UHFFFAOYSA-N 309.394 3.635 0 40 DHAB [O-][n+]1c2c(n(O)c1-c1cccs1)-c1cccc3cccc-2c13 6528431 LLUVRYKMWCTYCA-UHFFFAOYSA-N 306.346 3.888 0 40 DHAB Cc1cccc2c1Oc1nc(-c3ccccc3O)nc(O)c1C2 6748494 XZRGVXXQBVXSHD-UHFFFAOYSA-N 306.321 3.560 0 40 DHAB O=S(=O)(Nc1ccccc1SC(F)F)c1cccs1 7055875 CLXLLDAXILKGNZ-UHFFFAOYSA-N 321.395 3.864 0 40 DHAB O[C@H](c1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1 7778683 PWXVGGIRINRFAX-CYBMUJFWSA-N 320.270 3.837 0 40 DHAB O=C1NCCCC[C@H]1Sc1ncc(C(F)(F)F)cc1Cl 8707272 GQGRDUNBOTXAPK-SECBINFHSA-N 324.755 3.515 0 40 DHAB CCc1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)s1 8772381 JISRBSYEDDYHHF-UHFFFAOYSA-N 319.411 3.983 0 40 DHAB Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c1 8959911 UVVQCRIZDZUPGE-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB CSc1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 9949434 UPDCSBKYEVUGFG-MEDUHNTESA-N 315.394 3.576 0 40 DHAB COc1cccc(/C=C/C(=O)N2CCc3sccc3[C@H]2C)c1 10694474 MGZBSUNGGYWERR-KTRBRXNASA-N 313.422 3.916 0 40 DHAB COc1cc(C)ccc1OCc1nnc(-c2ccc(F)cc2)o1 12854084 FPRPRQYUDVUBQI-UHFFFAOYSA-N 314.316 3.772 0 40 DHAB Cc1occc1C(=O)N[C@@H](C)c1cccc(Br)c1 12972947 FDLYOCLNTJFBHH-VIFPVBQESA-N 308.175 3.842 0 40 DHAB Cc1ccccc1CNC(=O)c1cc2cnn(C(C)C)c2nc1C 12995716 JAICVOKIIGMZSX-UHFFFAOYSA-N 322.412 3.559 0 40 DHAB O=C(O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 13166515 LQMCIHFGIGMYME-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1OC 15966590 OIODHXXMQHNZQJ-RHSMWYFYSA-N 313.397 3.730 0 40 DHAB O=C(O)c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1 16401619 ZGWUSQMAPQHIRV-UHFFFAOYSA-N 310.180 3.981 0 40 DHAB COc1ccc(Cn2c([C@H]3CCCNC3)cc3cccnc32)cc1 19555998 QJADJHZHIJQITA-KRWDZBQOSA-N 321.424 3.560 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 20107540 ASFVCUKBYVTRGG-LBPRGKRZSA-N 321.779 3.905 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20137504 RDQXAGGUDBDGOK-UHFFFAOYSA-N 307.349 4.000 0 40 DHAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 20142159 PADDIABHCDKJPS-GFCCVEGCSA-N 313.353 3.814 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(F)cc1 22532099 CVXRUITZDTWXBV-HNNXBMFYSA-N 315.388 3.650 0 40 DHAB Cc1cccc(C)c1NC(=O)CCc1ccc2c(c1)OCCO2 24690914 PEUBSWCVEYPSFV-UHFFFAOYSA-N 311.381 3.646 0 40 DHAB CCOC(=O)c1ccc(C(=O)c2cc(Cl)ccc2OC)cc1 26896942 GRWUUSDAJLUCFG-UHFFFAOYSA-N 318.756 3.756 0 40 DHAB COCc1ccccc1CNC(=O)c1cc(Cl)ccc1F 29139309 DBGKFXNRMUXVJL-UHFFFAOYSA-N 307.752 3.556 0 40 DHAB Cc1ccc2c(C)cc(SCC(=O)NC(C)C)nc2c1C 31433613 ABNVQPNDANNHOK-UHFFFAOYSA-N 302.443 3.777 0 40 DHAB CN(C(=O)c1cc(-c2cccc(F)c2)no1)C1CCCCC1 32833006 ORBSJJQBGQKQLD-UHFFFAOYSA-N 302.349 3.885 0 40 DHAB Cc1ccc([C@@H](O)CNC(=O)Nc2c(C)cc(C)cc2C)cc1 40525451 BGVFWCKSIXGZFT-KRWDZBQOSA-N 312.413 3.775 0 40 DHAB O=c1[nH]c(-c2cccc(O)c2)nc2sc3c(c12)CCCCC3 46703258 XQXAYMMIDCTMLV-UHFFFAOYSA-N 312.394 3.626 0 40 DHAB Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(N(C)C)nc2)s1 47525181 FAQOEEHNXVYPLA-GFCCVEGCSA-N 318.446 3.742 0 40 DHAB COc1cc(C(=O)Nc2ccc3ccccc3n2)cc(OC)c1C 58161088 BSRWWSUPXRRDGG-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB Cc1csc(C2CCN(C(=O)c3sccc3C)CC2)n1 69623044 YPZMPMQAEUGYEO-UHFFFAOYSA-N 306.456 3.841 0 40 DHAB CC(C)c1ocnc1C(=O)N(CCc1cccc(F)c1)C1CC1 70957614 IQUWHTDYKMVIMR-UHFFFAOYSA-N 316.376 3.784 0 40 DHAB O=C(Nc1cccc(-c2ccsc2)c1)NC1CCC(O)CC1 71862721 RHNUZHLCCRIEAB-UHFFFAOYSA-N 316.426 3.840 0 40 DHAB CC(C)c1nccn1[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 71870850 CPMBBYFRJYUIEL-HOTGVXAUSA-N 301.434 3.526 0 40 DHAB COC(=O)c1sc(NC(=O)c2c(C)noc2C(C)C)cc1C 72280596 IMBSWPLABHCQKE-UHFFFAOYSA-N 322.386 3.515 0 40 DHAB COCc1cc(C(=O)N2CCCC[C@H]2c2nccs2)c(C)o1 72285892 ZJFDBLYLYPXKBU-AWEZNQCLSA-N 320.414 3.558 0 40 DHAB Cn1cccc1CN(Cc1cccs1)C(=O)[C@H]1CC=CCC1 75170187 PWRHETKZBUGDFP-HNNXBMFYSA-N 314.454 3.972 0 40 DHAB CCOc1ccccc1CNC[C@H](c1ccco1)N1CCCC1 78940969 QGHMATYUKKVXJG-QGZVFWFLSA-N 314.429 3.605 0 40 DHAB CN[C@@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C(C)C 79437868 URQCCMFLWKGVAR-IAGOWNOFSA-N 304.434 3.564 0 40 DHAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccccc1Cl 89895026 DQKOFKBKPIPTGW-WBMJQRKESA-N 303.789 3.582 0 40 DHAB COc1ccc(CN2CCS[C@H](C)[C@H]2C)c(Cl)c1OC 93501688 HADVHZUUVZZYJR-GHMZBOCLSA-N 315.866 3.683 0 40 DHAB CC(C)(C)[C@H](CCO)NC(=O)Nc1ccccc1C(F)(F)F 95393406 LEUUFDOSBRIDKK-LBPRGKRZSA-N 318.339 3.624 0 40 DHAB CC(C)N(C[C@@H](O)CO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(C)C 101244125 MPYNMCRQCDYTCP-ZMMAXQRCSA-N 311.510 3.698 0 40 DHAB Cc1ccccc1OCC(=O)n1c(C)c(C=O)c2ccccc21 216719676 HUZIKXDJLJDKAX-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccccc1 225482690 SGYKLNKUIUXMJJ-AWEZNQCLSA-N 301.415 3.528 0 40 DHAB Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cscn1 225763092 OFUFLVHSTQUCGX-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB O=C(C1CCC(F)(F)CC1)N1CCC[C@@H]1CCc1ccncc1 257241539 HYJYMWXGLSRCTI-MRXNPFEDSA-N 322.399 3.831 0 40 DHAB O=C(NC1CCC(F)(F)CC1)c1ccccc1Br 342092063 PBMLOCSQWMQARD-UHFFFAOYSA-N 318.161 3.757 0 40 DHAB O=C(NC[C@@H]1COc2ccccc21)c1ccccc1C(F)(F)F 345484472 OIMBXLPIFOBBSN-LLVKDONJSA-N 321.298 3.611 0 40 DHAB O=C(COCc1ccccc1)c1ccccc1OC(F)(F)F 382740672 ZGWLGMAUJFKMIS-UHFFFAOYSA-N 310.271 3.985 0 40 DHAB COc1cccc(C(=S)NCc2ccccc2Cl)c1OC 408571476 CFUGVWRPNRGCEV-UHFFFAOYSA-N 321.829 3.823 0 40 DHAB COCC(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443707 ZVONATVHGQINJG-UHFFFAOYSA-N 322.368 3.657 0 40 DHAB CCc1ccc(C(=O)Cc2cc3cccc(OC)c3oc2=O)cc1 216815 PCCYDLNWGBBDNM-UHFFFAOYSA-N 322.360 3.789 0 40 DHAB CC(=O)c1ccc(C)cc1OC(=O)c1cccc2nc(C)oc12 340384 XROLBWGKRIBIHX-UHFFFAOYSA-N 309.321 3.866 0 40 DHAB Cc1c(Cl)cccc1NC(=O)Cc1noc2ccccc12 1018162 CISSOLZYHHYXRI-UHFFFAOYSA-N 300.745 3.971 0 40 DHAB CCOc1ccc(N2C(=O)CN=C2Nc2cc(C)cc(C)c2)cc1 1360535 KUXIXELAYBOKFB-UHFFFAOYSA-N 323.396 3.517 0 40 DHAB CCOC(=O)c1sc(NC(=O)c2cccc(C)c2)cc1C 2658424 KFMZEBCKKWXORP-UHFFFAOYSA-N 303.383 3.794 0 40 DHAB CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C 3237195 YIIRDIPPHCEEIS-UHFFFAOYSA-N 309.412 3.855 0 40 DHAB CCc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 3503525 PDDGZDFMRZNRBJ-UHFFFAOYSA-N 311.410 3.856 0 40 DHAB CCOc1ccccc1-c1nn2c(-c3ccco3)nnc2s1 4938819 SRRLOQHEJFRTFU-UHFFFAOYSA-N 312.354 3.512 0 40 DHAB Cc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 4969568 LCAOMLCEYTTXNK-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB Cc1ccc(C(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)cc1 7433528 NXFOYBHBFRETBQ-ZDUSSCGKSA-N 308.337 3.695 0 40 DHAB CCCn1c(SC2c3ccccc3-c3ccccc32)n[nH]c1=O 7530726 UCJSJLHUKADOOK-UHFFFAOYSA-N 323.421 3.844 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1ccccc1C(F)(F)F 9157335 ZHYHYQLCJJWCLO-UHFFFAOYSA-N 319.286 3.694 0 40 DHAB Cc1cccc(Cc2c(C)nn(-c3nc4ccccc4[nH]3)c2O)c1 9191584 SYRYGAUSPWLHTO-UHFFFAOYSA-N 318.380 3.662 0 40 DHAB Cn1c2ccccc2c2nnc(SCc3ccc(F)cc3)nc21 9261919 DXDDWPGCEITFEM-UHFFFAOYSA-N 324.384 3.948 0 40 DHAB O=C(NCc1coc(-c2cccs2)n1)c1cc(F)ccc1F 10879328 UUYOIGCOIXYJHQ-UHFFFAOYSA-N 320.320 3.611 0 40 DHAB CC(C)c1nnc(NC(=O)c2csc3c2CCCC3)s1 12292957 AEYJVFWALKJZDD-UHFFFAOYSA-N 307.444 3.854 0 40 DHAB Cc1ccc(-c2nnc([C@H](C)Nc3ccc4c(c3)OCO4)o2)cc1 12534087 QMEDABHFBYYKQN-LBPRGKRZSA-N 323.352 3.947 0 40 DHAB C[C@]1(c2ccccc2)CC(c2ccccc2)=Nc2nonc2N1 13130139 HIIZWIAXRNBQTG-GOSISDBHSA-N 304.353 3.921 0 40 DHAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)n[nH]2)cc1 14203490 NQSDAVZVNPECFS-UHFFFAOYSA-N 317.392 3.584 0 40 DHAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)CCc1ccccc1 14291984 VZWGGZMRYRMSSP-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB O=C(Nc1ccccc1N1CCCC1=O)c1cc2ccccc2[nH]1 16105833 SQMPSVXTPLQMNS-UHFFFAOYSA-N 319.364 3.547 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)cc1 17297308 XVTHZTQWTROUJQ-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB CSc1ccccc1C(=O)NCCOc1ccc(Cl)cc1 18150915 VSRXSJZKWWQNRH-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 19736384 GPUVZMNLMBMQSD-NSHDSACASA-N 304.777 3.637 0 40 DHAB COc1ccc(Cl)cc1CN[C@@H](C)[C@H](O)c1ccccc1 22076438 RVTKBHTVBGBRTR-SJCJKPOMSA-N 305.805 3.560 0 40 DHAB COc1cccc(CNc2ncnc3c2oc2ccccc23)c1 23380870 YJPRIXFYPSKQHF-UHFFFAOYSA-N 305.337 3.997 0 40 DHAB Cc1ccsc1C(=O)N(C)Cc1nc2ccccc2s1 23932083 WSFRVRBYSOSANW-UHFFFAOYSA-N 302.424 3.938 0 40 DHAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccncc1 25380007 RCJQDFMZWJYGMT-CQSZACIVSA-N 321.380 3.547 0 40 DHAB CCCc1ccccc1NCc1cc(=O)n2c(C)csc2n1 25903774 BWFZGWCQGWPOIS-UHFFFAOYSA-N 313.426 3.629 0 40 DHAB CCCCNC(=O)Nc1ccc(Br)c2cccnc12 27930168 JGPABVRQZZKURU-UHFFFAOYSA-N 322.206 3.919 0 40 DHAB CCOc1ncccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 32818731 LQJPVMPSSQEHSW-UHFFFAOYSA-N 323.352 3.751 0 40 DHAB CCCOc1ccccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 32958188 YHTRJWMXGDWDNB-HUUCEWRRSA-N 305.418 3.644 0 40 DHAB O=C(Nc1cccc(OC(F)F)c1)N1CCc2ccccc2C1 40120521 FPRYUZLDCYIBJP-UHFFFAOYSA-N 318.323 3.878 0 40 DHAB CC(=O)c1csc(NC(=O)CCCc2ccc(C)cc2)n1 40141561 GDJAENTVQXHHEP-UHFFFAOYSA-N 302.399 3.616 0 40 DHAB CC(C)Cn1c([C@H](C)NC(=O)c2cccnc2)nc2ccccc21 40180592 FYVPMACPPXVNKW-AWEZNQCLSA-N 322.412 3.578 0 40 DHAB CN(Cc1ccccc1)C(=O)Nc1ccccc1-n1cccn1 48152219 VJWYPOHZOGXBST-UHFFFAOYSA-N 306.369 3.536 0 40 DHAB COc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3C)n[nH]2)c1 51315592 YYDLMQIEYXONJK-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB O=C(Nc1cn[nH]c1)N1CCc2sccc2[C@@H]1c1ccccc1 57029777 RXYGXOFZNNCIDG-INIZCTEOSA-N 324.409 3.651 0 40 DHAB Cc1nnc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cn12 58167997 JIKTWPCAEQVAHN-UHFFFAOYSA-N 321.167 3.597 0 40 DHAB O=C(Cc1csc(-c2ccccn2)n1)N1CCCCCCC1 58394135 ZIFWYHKVMLKBFI-UHFFFAOYSA-N 315.442 3.540 0 40 DHAB CCC(C)(C)C1CCC(Nc2cc(C)nc3ncnn23)CC1 61174077 YJFHAPFRYZIWJM-UHFFFAOYSA-N 301.438 3.840 0 40 DHAB COc1ccc(-c2n[nH]cc2CNCc2sccc2C)cc1 69061257 HSLZPCGGNUFJRH-UHFFFAOYSA-N 313.426 3.745 0 40 DHAB Cn1cccc1C(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 69900446 DRSQOYJSKJKBIY-AWEZNQCLSA-N 323.396 3.572 0 40 DHAB CC(C)(C)c1noc(C2(c3cccc(F)c3)CCOCC2)n1 70021311 HTURFFJTXBYCDL-UHFFFAOYSA-N 304.365 3.603 0 40 DHAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc2ncccc2c1 71121550 CIUKLPAALBRXEJ-UHFFFAOYSA-N 314.747 3.957 0 40 DHAB COc1ccccc1NC(=O)Cc1cccc(Br)c1 72064075 JNPUPVXRVNPQNO-UHFFFAOYSA-N 320.186 3.639 0 40 DHAB CSCC(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C 72284851 JGXVFDYYWUIVOX-SECBINFHSA-N 324.446 3.798 0 40 DHAB O=C(NCC[C@H](O)c1ccco1)c1ccc(-c2ccccc2)cc1 77111163 DUAVNSHOSVIMIU-SFHVURJKSA-N 321.376 3.800 0 40 DHAB CC1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)nc2)CC1 79029367 RIMNNGLZQAISBL-OAHLLOKOSA-N 324.428 3.522 0 40 DHAB CN(C(=O)c1ccc([S@](C)=O)cc1)C1CCCCCCC1 83855653 NBYNSQQWBSRGMW-OAQYLSRUSA-N 307.459 3.609 0 40 DHAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89363644 LMVSIGIBTYZXBA-WOJBJXKFSA-N 316.404 3.997 0 40 DHAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)n2ccnc2)o1 96417136 TXVMRJFHZNSKOD-HOCLYGCPSA-N 315.417 3.743 0 40 DHAB CC(=O)c1sc([C@H](NC(=O)c2ccccc2)C2CC2)nc1C 96433587 RSKPGTNHJSQOHL-CQSZACIVSA-N 314.410 3.535 0 40 DHAB CCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccccc1 148877708 ATIZTUYKQCWVNB-UHFFFAOYSA-N 318.756 3.778 0 40 DHAB O=c1[nH]c2c(s1)[C@H]1c3ccccc3O[C@H]3CCC[C@@H](S2)[C@@H]31 170612860 RPODNVZRIFIAQZ-QNWHQSFQSA-N 317.435 3.604 0 40 DHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222903387 RQDFZZKVXRITIR-JKSUJKDBSA-N 315.442 3.612 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@H](O)CNC1CCCC1)C2 253531693 ZBNAUCQADSOPHS-XPYUAMARSA-N 309.494 3.501 0 40 DHAB O=C(NCc1cncc(-c2ccco2)c1)c1cc2ccccc2[nH]1 575618103 IGGHNGXQLVUXBK-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB O=S(=O)(Cc1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001960 VQMNSGVAAMODBA-ROUUACIJSA-N 317.454 3.624 0 40 DHAB COc1ccccc1NC(=O)c1ccc(Br)cc1 54775 XJDBMELMKKERNI-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB COc1ccc([C@@H]2OC(=O)C3(CCCCC3)C(=O)C2(C)C)cc1 82513 BGDJFYJNEWNEEI-HNNXBMFYSA-N 316.397 3.839 0 40 DHAB O=C(Nc1cc(Cl)ccc1O)c1noc2c1CCCCC2 426558 QIWFBKAYJNXAMY-UHFFFAOYSA-N 306.749 3.555 0 40 DHAB CCc1ccccc1NC(=S)NC(=O)c1ccc(C)cc1C 570456 ZXLYUMHPIRYUTL-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1 1085173 LZBGPTPSIUIREA-XIRDDKMYSA-N 315.413 3.858 0 40 DHAB O=C(C1CCCC1)N1CCN=C1SCc1ccc(Cl)cc1 4120051 XCHAUKFWAVMSMO-UHFFFAOYSA-N 322.861 3.962 0 40 DHAB Cc1ccc(C)c2sc(NC(=O)COc3ccccc3)nc12 4331480 YHAXBLPUEOUMHL-UHFFFAOYSA-N 312.394 3.931 0 40 DHAB CO[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]32)C1 5029507 JSKPSAAKLUVICH-WGEZERDCSA-N 317.473 3.833 0 40 DHAB COc1ccccc1CC(=O)Nc1ccccc1N1CCCCC1 5199438 JKGXLGIHXQCBQT-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB O=C(Cc1coc2cc(O)ccc12)OC/C=C/c1ccccc1 5806425 RFIDCBIQQAXNBI-QPJJXVBHSA-N 308.333 3.938 0 40 DHAB Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)n(C)n1 6769678 DMVDBZQLFNIGIZ-UHFFFAOYSA-N 319.408 3.571 0 40 DHAB CN(Cc1cccs1)c1ncnc2sc3c(c12)CCC3 6785872 DLRQFEJCNJCFNG-UHFFFAOYSA-N 301.440 3.878 0 40 DHAB CCOC(=O)c1sc2ncnc(Nc3ccccc3)c2c1C 6918962 IPAKJDLKMLQCES-UHFFFAOYSA-N 313.382 3.920 0 40 DHAB Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1C 7253345 WJZJWGLABWRJKD-UHFFFAOYSA-N 315.442 3.750 0 40 DHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1 9338054 YGEQROXICDTDQG-PGBBXINNSA-N 323.440 3.957 0 40 DHAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(F)ccc1F)C2 11373581 ZZOZOXGXDVARGO-HNNXBMFYSA-N 305.349 3.929 0 40 DHAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccncc1 12533792 FNSFCHAHNWBZHR-CYBMUJFWSA-N 317.392 3.998 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)NC2CCCCC2)cc1 12790003 FZSKNQDGLOMRHV-KRWDZBQOSA-N 302.418 3.874 0 40 DHAB CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1 13788348 ZIUDKHSJDBOJGS-UHFFFAOYSA-N 320.392 3.579 0 40 DHAB CC(C)Nc1ncc(-c2cccc(F)c2)c(-c2nccn2C)n1 19450360 MGPVBVUDXSUDCA-UHFFFAOYSA-N 311.364 3.504 0 40 DHAB Cc1ccc(COC(=O)CSc2cnc3ccccc3n2)cc1 22614705 UQWFUMTVUBDSND-UHFFFAOYSA-N 324.405 3.774 0 40 DHAB Cc1cc(CN2CCN(c3ccccc3)CC2)c2ncccc2c1 27578889 FMFDGFBNEBIHQU-UHFFFAOYSA-N 317.436 3.865 0 40 DHAB CCc1cc(C(N)=O)c(NC(=O)c2ccc3ccccc3c2)s1 27927934 OBOMGNXTOLBUDC-UHFFFAOYSA-N 324.405 3.815 0 40 DHAB Cc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 39745461 YNBHWJMKHBLZQY-UHFFFAOYSA-N 314.473 3.610 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCOc2ccccc2)o1 40012194 BYKAEDFNNPXLPM-RHSMWYFYSA-N 313.397 3.531 0 40 DHAB Cc1cc(NN)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1 40216679 ULTKZRIGAGRUED-UHFFFAOYSA-N 322.199 3.606 0 40 DHAB O=C(Nc1ccc2nc[nH]c2c1)c1ccccc1Br 40268896 DIZCZRFYLHEANZ-UHFFFAOYSA-N 316.158 3.578 0 40 DHAB CCCCNC(=O)N1CCCC[C@@H]1c1nc([C@@H](C)CC)no1 41122862 HHFMHNLSBBFEFO-QWHCGFSZSA-N 308.426 3.620 0 40 DHAB COc1cc(C)c(NC(=O)N(CC(C)C)C2CC2)cc1OC 43403531 OOTWCJXYUCMECL-UHFFFAOYSA-N 306.406 3.665 0 40 DHAB Cc1nn(C)c2c1[C@H](c1ccc(O)c(Cl)c1)SCC(O)=N2 49550202 KKTKLOXFGZBNCU-ZDUSSCGKSA-N 323.805 3.512 0 40 DHAB CC(C)c1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1 53962339 TVAJPQFRBGWEBK-UHFFFAOYSA-N 303.450 3.804 0 40 DHAB C[C@@H](NC(=O)C1(C)CCCC1)c1nc(-c2ccc(F)cc2)no1 64452160 WSYKNBGUXPVXCF-LLVKDONJSA-N 317.364 3.633 0 40 DHAB Cc1csc([C@@H]2CN(Cc3ccc(Cl)s3)CCO2)n1 65464728 XQEWGBBLHWWGAP-NSHDSACASA-N 314.863 3.740 0 40 DHAB Cc1ccc(CN2CCSCC2)cc1NC(=O)C1CCCC1 65576156 SURPJKKTTAJZRQ-UHFFFAOYSA-N 318.486 3.673 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1SC1CCCC1)n1cncn1 71903394 HDVHHFQYUJAASX-LBPRGKRZSA-N 316.430 3.513 0 40 DHAB Cc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 72227784 BTDVEIHAOLRLFE-HUUCEWRRSA-N 321.207 3.717 0 40 DHAB Clc1cc(Cl)c2c(c1I)CCO2 72233711 LXHPFWHWMMNEAI-UHFFFAOYSA-N 314.937 3.533 0 40 DHAB CCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CCCN2C)ccn1 72369299 MJRRCOUMNBXSSV-IBGZPJMESA-N 323.440 3.511 0 40 DHAB O=C(CSC(F)(F)F)Nc1ccnn1C1CCCCC1 73901442 SGZGYADGDDIZEG-UHFFFAOYSA-N 307.341 3.580 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl 74935389 SHAIBSNHHKGLFA-UHFFFAOYSA-N 311.790 3.540 0 40 DHAB CC(C)OCCCN1C(=O)CC[C@H]1c1c[nH]c2ccccc12 85430370 CCTKJNVTMGMWNP-KRWDZBQOSA-N 300.402 3.647 0 40 DHAB Cc1cc(C(=O)NCc2nc(C)n3ccccc23)c(C)n1C(C)C 89575566 DLZCEQXPBSKKRN-UHFFFAOYSA-N 324.428 3.572 0 40 DHAB CCCc1cc(NC(=O)N(C)[C@@H]2CCc3ccccc32)n(C)n1 91093527 VCSSSOOTJGPPHC-MRXNPFEDSA-N 312.417 3.524 0 40 DHAB C[C@H](NCCCc1ccccc1)c1ccc([S@@](C)=O)cc1 95419173 FWNXXRRWMUETGI-BTYIYWSLSA-N 301.455 3.707 0 40 DHAB COc1ccc([C@H](C)NC(=O)Nc2ccnc(Cl)c2)cc1F 95454804 NTQFGIVCCCRVJY-VIFPVBQESA-N 323.755 3.765 0 40 DHAB CCCc1nc(-n2cccc2)sc1C(=O)N1CCC(C)CC1 95473095 HWVAONLMNNZYEV-UHFFFAOYSA-N 317.458 3.758 0 40 DHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Cl)s1 95951881 UGEDMKHJENWVRB-WXHSDQCUSA-N 313.850 3.708 0 40 DHAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96058325 YNTUNVVOQDZLPY-ACRUOGEOSA-N 321.468 3.692 0 40 DHAB CCOc1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 96817192 IMGALUNBIPGIOW-FYWRMAATSA-N 318.376 3.740 0 40 DHAB Cc1cccc(Cl)c1NC(=O)N1CCC(c2ccn[nH]2)CC1 97095216 MZBOVLIEDHQVBV-UHFFFAOYSA-N 318.808 3.783 0 40 DHAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 102204507 CKDOXQLTSQDWES-VWPFQQQWSA-N 309.413 3.663 0 40 DHAB COc1ccc([C@@H]2NC(=S)N[C@@H]3c4ccccc4CC[C@@H]32)cc1 105972788 CDPQLJBXDSDFON-FGTMMUONSA-N 324.449 3.518 0 40 DHAB Brc1ccccc1-c1nc([C@H]2CCCCCN2)no1 135964954 RKTXVAUUPDLZJG-GFCCVEGCSA-N 322.206 3.704 0 40 DHAB CCc1cnc(NCc2cnc3c(cnn3C(C)C)c2)s1 185970383 LBUKTRUNHHMEHQ-UHFFFAOYSA-N 301.419 3.643 0 40 DHAB CC(C)SCc1cccc(NC(=O)NC[C@H]2CC[C@@H](O)C2)c1 195578938 ARJZLJJQDJXTPN-XJKSGUPXSA-N 322.474 3.611 0 40 DHAB CC[C@H](C(=O)NC[C@H](OC)c1cccc(F)c1)c1ccccc1 208000253 ORBOWHDLKYDHEZ-ROUUACIJSA-N 315.388 3.823 0 40 DHAB CCOC(=O)C1(c2ccc(NC(=O)C3CCCCC3)cc2)CC1 222973261 MSPDAAWVAJXSFX-UHFFFAOYSA-N 315.413 3.800 0 40 DHAB CCC[C@H](C)NC(=S)Nc1ccc(OC)c2ncccc12 225384711 BKBGJZAHPXEHQM-NSHDSACASA-N 303.431 3.718 0 40 DHAB Cc1cc(C)c(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(C)c1 245225091 MMNODLYVTWRJBH-IAGOWNOFSA-N 317.477 3.996 0 40 DHAB Cc1ccc([C@@H]2CCCN2C(=O)CC2(C(=O)O)CCC2)cc1C 352236324 BPVQNQGGPJFCEI-INIZCTEOSA-N 315.413 3.612 0 40 DHAB CC(C)Oc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409021993 HGRYXKCHWMWJPE-NTEUORMPSA-N 305.399 3.919 0 40 DHAB CCOc1cc2oc(=O)cc(C(F)(F)F)c2cc1OCC 57579 BLGQQAWSNWKPDA-UHFFFAOYSA-N 302.248 3.609 0 40 DHAB COc1ccc(-c2ccnc3c(OC)ccc(N)c23)cc1OC 367577 BTJCJMMMONSDMG-UHFFFAOYSA-N 310.353 3.510 0 40 DHAB CC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 425595 YPUVUDDKNBMWPR-JTQLQIEISA-N 301.781 3.679 0 40 DHAB Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCC1 587072 RCMVDZAMAQDJQN-UHFFFAOYSA-N 310.397 3.613 0 40 DHAB CSc1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 2620591 XCOKPZJYMJQIBY-UHFFFAOYSA-N 302.399 3.808 0 40 DHAB Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1 3820806 GOJZHNWOESVAEU-VOTSOKGWSA-N 319.393 3.605 0 40 DHAB CCc1ccccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)O 4651524 QPNIHUYGLPWINJ-HUUCEWRRSA-N 301.386 3.635 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 5214486 OPGMCTTWSYIJSA-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB C[C@@H](C(=O)NCC1CCCCC1)N(C)Cc1cccc(Cl)c1 5938968 VQKSOSTYYGHVTC-AWEZNQCLSA-N 322.880 3.857 0 40 DHAB COc1cc(NC(=O)Cc2ccccc2F)c(OC)cc1Cl 6309976 UUTCDNXHNJNDCI-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB O=C(Cc1ccccc1F)Nc1nc(-c2ccccn2)cs1 6830905 ZDFXBOBGXFOBSE-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB Cc1ccc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1 7007298 NBQWWRLHZHWFJW-UHFFFAOYSA-N 310.378 3.590 0 40 DHAB O=S(=O)(Nc1cccc2cccnc12)c1ccc2c(c1)CCC2 7709477 HYRYVGURJYYSTN-UHFFFAOYSA-N 324.405 3.524 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)COc2cccc(Cl)c2)c1C 7890603 LYVIWTIEBMIOMS-UHFFFAOYSA-N 305.761 3.749 0 40 DHAB O=C(OCCOc1ccccc1F)c1cc2c(s1)CCC2 7981341 DTNWHBSXHBTCLX-UHFFFAOYSA-N 306.358 3.612 0 40 DHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CCCCC1 8714921 LXZXFKYGQRUIRA-UHFFFAOYSA-N 322.257 3.913 0 40 DHAB COc1cccc2sc(NC(=O)c3sccc3C)nc12 8772563 FWYCYNGLPDEFBP-UHFFFAOYSA-N 304.396 3.927 0 40 DHAB O=C(c1c(-n2cccc2)sc2c1CCCC2)N1CCCC1 9453746 LLSNVBMQYCTOHU-UHFFFAOYSA-N 300.427 3.654 0 40 DHAB COc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1 10754874 GMXQMOGLTRVMKM-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB CC(C)(C)C(=O)N1CCC(c2nc3ccccc3cc2N)CC1 12087767 SUYZDTYHNFSALD-UHFFFAOYSA-N 311.429 3.569 0 40 DHAB Cc1ccc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)o1 12116075 NYPTVRSUPWCXRY-QGZVFWFLSA-N 323.396 3.761 0 40 DHAB Cc1ccnc(SCC(=O)c2cc(C)n(C3CC3)c2C)n1 12390078 OTEKXZPOITYQQS-UHFFFAOYSA-N 301.415 3.513 0 40 DHAB COc1cccc2sc(NC(=O)c3cc(F)ccc3F)nc12 12621760 LHRYPCPHVHAJIA-UHFFFAOYSA-N 320.320 3.835 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 12676637 VTEDKHOLAQXKLU-KUHUBIRLSA-N 324.424 3.763 0 40 DHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)cc1C 12744285 CMLGGHADVVJTDO-SFHVURJKSA-N 310.397 3.516 0 40 DHAB CSCc1nnc(SCC(=O)c2ccc(C)c(C)c2)o1 12860250 ZHVHWHVKBDSINZ-UHFFFAOYSA-N 308.428 3.524 0 40 DHAB COc1cc(/C=C\c2ccc(OC)c(OC)c2)cc(OC)c1 13340303 PTVAOGIYBMTHSN-WAYWQWQTSA-N 300.354 3.891 0 40 DHAB COc1ccccc1NC(=O)c1ccc(F)cc1Br 14022028 UBEIAUVFUKQRJC-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB OCc1ccc(OCc2ccc(F)cc2Br)cc1 20031264 DMLGDTROMPUBPT-UHFFFAOYSA-N 311.150 3.660 0 40 DHAB CCc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)o1 20033715 BMISKVLSRDFPGF-UHFFFAOYSA-N 317.197 3.914 0 40 DHAB O=C(NC1CCCCCC1)c1nc(-c2c[nH]c3ccccc23)no1 20724012 DWADBAIOYQMDBL-UHFFFAOYSA-N 324.384 3.671 0 40 DHAB CC[C@H](CNC(=O)c1ccc(C(C)=O)s1)c1ccccc1 23748517 NOWVRDBFKIKLFL-CYBMUJFWSA-N 301.411 3.874 0 40 DHAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 44790128 GYPZEYWXRZTKMK-ZBFHGGJFSA-N 322.880 3.857 0 40 DHAB Cc1ccccc1CN(C)C(=O)c1cnc2c(cnn2C(C)C)c1 44893194 CUIQTCMLIILDFR-UHFFFAOYSA-N 322.412 3.593 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1C 48325689 JJDTVWSSVQVCEN-HOTGVXAUSA-N 303.450 3.688 0 40 DHAB Cc1cnc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 58228647 FQEJASPGDUKVGG-UHFFFAOYSA-N 315.682 3.710 0 40 DHAB CCn1c(CNC(=S)Nc2ccccc2)nc2ccccc21 61247773 FOFUQVXVHIJQEG-UHFFFAOYSA-N 310.426 3.543 0 40 DHAB O=C(NC[C@@H]1CCCOC1)c1ccccc1Nc1ccccc1 65516116 YKYSVAQXUJIEKX-HNNXBMFYSA-N 310.397 3.587 0 40 DHAB Cc1cc(C)n(C(=O)c2sc(-n3cccc3)nc2C(C)C)n1 67172503 DHVKFHRCFWDKMD-UHFFFAOYSA-N 314.414 3.559 0 40 DHAB Cn1c(SCc2cc(F)cc(F)c2)nc2ccsc2c1=O 67259725 JRKOMRVXQLALAF-UHFFFAOYSA-N 324.377 3.566 0 40 DHAB CC(=O)N1CCCc2cc(NC(=O)C3(C)CCCC3)ccc21 71185277 UMXNLXIJVWTMNG-UHFFFAOYSA-N 300.402 3.505 0 40 DHAB COc1ccc(CN[C@@H]2CCc3c(F)cccc32)cc1OC 71837177 SYBGPPBJWOUDCB-MRXNPFEDSA-N 301.361 3.620 0 40 DHAB Cc1c(NC(=O)N[C@H](C)c2ccncc2)cccc1OC(F)F 72083581 YPPCJCMNSXIAKG-LLVKDONJSA-N 321.327 3.874 0 40 DHAB Cc1ccc(CCCC(=O)N[C@@H](c2nc(C)no2)C(C)C)cc1 72280785 OGUPVMJGBBZGGH-QGZVFWFLSA-N 315.417 3.523 0 40 DHAB Fc1ccccc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 72355429 DHTUKQZEARSKPA-GOSISDBHSA-N 322.387 3.744 0 40 DHAB CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)c1cccc[n+]1[O-] 75105480 BUUPBOCPYQYQIN-GOSISDBHSA-N 324.424 3.541 0 40 DHAB CC(C)C[C@@H](NCCNC(=O)c1ccccc1)c1ccccc1 79015303 IDPFXIURGIFVBL-LJQANCHMSA-N 310.441 3.793 0 40 DHAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2nnnn2c1 79097050 DTNOMTGPFGYOFS-UHFFFAOYSA-N 323.400 3.623 0 40 DHAB Fc1ccc(-c2nc(CSC[C@H]3CCCCO3)no2)cc1 84421715 RKISPFRNOMAWIG-CYBMUJFWSA-N 308.378 3.678 0 40 DHAB C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccc3ccccc3c2)C1 95533128 ZIFHGHPZOZPZEN-BXWFABGCSA-N 313.441 3.557 0 40 DHAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 96058324 BJZHWWAUOXWVNP-ACRUOGEOSA-N 321.468 3.692 0 40 DHAB CSc1ccc([C@H](O)CNC(=O)c2cccc(Cl)c2)cc1 96103052 ZEHLIMDWAZRLMO-OAHLLOKOSA-N 321.829 3.525 0 40 DHAB COCc1noc([C@@H](C)Sc2nnc(C3CCCCC3)o2)n1 97085447 GIRYTHLXXSDIHN-SECBINFHSA-N 324.406 3.500 0 40 DHAB Brc1ccccc1N/N=C1/C=Nc2ccccc21 101111313 WKACCNBNHJIIFO-JXAWBTAJSA-N 300.159 3.981 0 40 DHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H]1C[C@H]2C=C[C@H]1C2 101410566 WJYUQHBMPRWSSS-TZQJONAQSA-N 303.402 3.691 0 40 DHAB N=C1C(c2nc3ccccc3s2)=C(O)CN1Cc1ccco1 102717781 AYDWEWMNDMZHCI-UHFFFAOYSA-N 311.366 3.651 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(F)cc1 113960014 FJFCMOSGJXWBGW-MLGOLLRUSA-N 319.351 4.000 0 40 DHAB COc1cccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 195550064 FRVURFNKJWXAQL-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB Cc1noc(C)c1CNc1nnc(Cc2ccccc2Cl)o1 195552226 FXUOZTLIODDQOA-UHFFFAOYSA-N 318.764 3.531 0 40 DHAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1 225906994 GPOWZLVHCHTAKV-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB O=C(Nc1ccccc1F)c1cc2cccc(Cl)c2oc1=O 226039396 WGMBMAXLOIDONO-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB Cc1noc2nc3c(c(C(=O)O)c12)CC/C3=C\c1cccs1 248038897 RWPDAPRSVGPQEC-VQHVLOKHSA-N 312.350 3.778 0 40 DHAB CC(=O)O[C@@H]1[C@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@@H]1O 253388399 RRGRXDIGPVAQIW-LWYYNNOASA-N 310.393 3.640 0 40 DHAB biogenic,in-vitro CCOC(=O)[C@]12CC=CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 257240676 HUQNCDPHZPUAEO-KBXCAEBGSA-N 323.433 3.676 0 40 DHAB c1ccc(CN2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)cc1 257249043 JGKXOKQFDMENLO-QGZVFWFLSA-N 320.396 3.859 0 40 DHAB S=C(NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1 408573823 KUYOMKVDXFIXIE-UHFFFAOYSA-N 305.786 3.534 0 40 DHAB COC(=O)CCC(=O)c1cccc(OCc2cccc(F)c2)c1 575357539 LFVUQOSEZZPKIA-UHFFFAOYSA-N 316.328 3.541 0 40 DHAB O=C(NCc1nccs1)[C@H](c1cccnc1)C1CCCCC1 585121309 LNNBEEQPHDEBQW-INIZCTEOSA-N 315.442 3.518 0 40 DHAB Cc1ccc(O)c(CNC2(c3c(F)cccc3F)CCC2)n1 585123272 TVEXMGCKAYMIPF-UHFFFAOYSA-N 304.340 3.543 0 40 DHAB Cc1ccccc1O[C@@H]1CCC[C@H](NCC2CCCCC2)[C@H]1O 585289354 QEJRMQBPPDIIBG-DFQSSKMNSA-N 317.473 3.826 0 40 DHAB COc1ccc(NC(=O)c2ccc(Br)cc2)cc1 54771 UPQBUSFVHWZAKF-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)cc1 269442 OQTUWDWJDGOJBC-UHFFFAOYSA-N 301.411 3.675 0 40 DHAB Cc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C 545491 DHHGZVYUCARAFR-JNCYCUAHSA-N 318.420 3.632 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Oc2ccccc2F)cc1 1753046 FKPIRSMYQUDUID-UHFFFAOYSA-N 303.289 3.613 0 40 DHAB O=S(=O)(Nc1ccccc1)c1cc(Cl)ccc1Cl 2573592 KDUYGJHHMRQKIV-UHFFFAOYSA-N 302.182 3.794 0 40 DHAB in-vitro COc1ccccc1CNC(=O)c1ccc(C(F)(F)F)cc1 3302623 ACJIDGKIFXDEJF-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc1 3342474 QPZGKNPLRWBUHD-LBPRGKRZSA-N 311.410 3.991 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CSCc2ccccc2)cc1 3438286 JOOUPEBXWQHPRU-UHFFFAOYSA-N 314.410 3.517 0 40 DHAB C[C@H]1CCCCN1CC(=O)Nc1ccc(SC(F)F)cc1 3583484 FRDNMYLGEAZQCD-NSHDSACASA-N 314.401 3.814 0 40 DHAB O=C(COc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 3606550 RAIYTDQUGRFQLS-QGZVFWFLSA-N 315.800 3.913 0 40 DHAB COc1ccc(/C=C/c2nn3c(C(C)(C)C)nnc3s2)cc1 4487522 UILWSRMRFOJGCJ-JXMROGBWSA-N 314.414 3.662 0 40 DHAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1)nn3C 5500156 SSQHROJLWMKNGW-UHFFFAOYSA-N 316.364 3.682 0 40 DHAB CCCOc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 6324696 QMJBCFDKMVPJHK-UHFFFAOYSA-N 323.348 3.834 0 40 DHAB COCCNc1nnc(SCc2ccc(Cl)cc2)s1 6427837 ORZLTHWDOZTIGE-UHFFFAOYSA-N 315.851 3.542 0 40 DHAB COc1ccc(SCC(=O)Nc2ccc(F)c(F)c2)cc1 7294706 FOGNCTKJVKZYGR-UHFFFAOYSA-N 309.337 3.704 0 40 DHAB COc1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 7967224 KRBSMRRPMRDOIR-UHFFFAOYSA-N 324.808 3.974 0 40 DHAB Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1 8060448 AMGWBOPYPNOCCI-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB COc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 8328034 OBAUFOGVBARWFO-UHFFFAOYSA-N 315.756 3.763 0 40 DHAB COCCNCc1ccccc1OCc1ccccc1Cl 8469250 QNSKEVCRFXKOJR-UHFFFAOYSA-N 305.805 3.655 0 40 DHAB CCCCN(C)c1ncnc2c1cnn2-c1cccc(Cl)c1 8583072 CGDDUSBGBTXGPL-UHFFFAOYSA-N 315.808 3.705 0 40 DHAB O=C(NCc1ccc(Cl)cc1)[C@H]1Cc2ccccc2S1 8735248 TWALVJJXQVIHJB-OAHLLOKOSA-N 303.814 3.673 0 40 DHAB CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@@H]1c1ccccc1 9355706 DUJCEKYLAUZIPQ-QGZVFWFLSA-N 320.396 3.926 0 40 DHAB O=C1C=C(NCC23CC4CC(CC(C4)C2)C3)C2(CCCCC2)O1 12363261 CGIBMHAONOUHEX-UHFFFAOYSA-N 315.457 3.936 0 40 DHAB Cc1ccc(C(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1 15153121 BESSYFFBULFNIU-UHFFFAOYSA-N 308.337 3.710 0 40 DHAB COc1ccc(-c2ccc(CCC(=O)NCC(C)C)o2)cc1 15867435 ASBPIIXAIFWAFO-UHFFFAOYSA-N 301.386 3.660 0 40 DHAB CCOC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 16755326 OECIYMYHFPWBJA-UHFFFAOYSA-N 302.399 3.562 0 40 DHAB COc1ccc([C@@H]2[C@@H](NC[C@@H]3CCOC3)[C@@H]3CCCC[C@H]32)cc1 19557593 PKRIDGKYLLMKGD-UYYRZJCPSA-N 315.457 3.594 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(F)cc1 22532095 CVXRUITZDTWXBV-OAHLLOKOSA-N 315.388 3.650 0 40 DHAB Cc1c(C(=O)N(C)[C@@H](C)c2cccs2)[nH]c2c1C(=O)CCC2 24236094 XGLKTFOAXGNYBS-NSHDSACASA-N 316.426 3.737 0 40 DHAB O=C(NC1CC1)c1ccc(Sc2ccc(Cl)cc2)nc1 25046894 CEGVLYJMUGPPPM-UHFFFAOYSA-N 304.802 3.778 0 40 DHAB Cc1cc(C(=O)Nc2ccc(N3CCCC3)cn2)sc1C 25660732 BEUHJLFXFPYQHF-UHFFFAOYSA-N 301.415 3.612 0 40 DHAB Cc1cc(C(=O)Nc2nc3ccccc3s2)c2c(C)noc2n1 28847033 TUHKZOPZEOSKSG-UHFFFAOYSA-N 324.365 3.702 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1Cl 30758829 MZCJBZVDRAOZPV-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB CC(C)c1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 40141595 QOCSLRVETGCXKW-RKDXNWHRSA-N 321.368 3.969 0 40 DHAB CC(=O)c1csc(NC(=O)C2(c3ccc(F)cc3)CCC2)n1 42689002 VILWXNIMSXFGPF-UHFFFAOYSA-N 318.373 3.545 0 40 DHAB c1cncc(-c2n[nH]cc2CN[C@H]2CCSc3ccccc32)c1 42956918 MCQBCKCRZJMPCQ-INIZCTEOSA-N 322.437 3.798 0 40 DHAB Cc1ccc(C)c(NC(=O)NCCCCN2CCC[C@@H](C)C2)c1 45948017 UYOIDSJLDKQYOB-MRXNPFEDSA-N 317.477 3.937 0 40 DHAB CCN(CC)[C@@H](CNC(=O)Cc1cccs1)c1ccsc1 46940475 BNGDZTJDKDRNRX-HNNXBMFYSA-N 322.499 3.551 0 40 DHAB CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)c1ccccc1C 48287205 DPTHDIMZDPKJAB-UHFFFAOYSA-N 322.412 3.560 0 40 DHAB O=S(=O)(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 65593700 VLTCXZFVNJIYLX-UHFFFAOYSA-N 314.328 3.820 0 40 DHAB CC(C)CCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 69417622 QWDADLFGEMYTOE-UHFFFAOYSA-N 304.365 3.576 0 40 DHAB O=C(Nc1cccc2ccccc12)N1CCC[C@H](N2CCCC2)C1 71808117 ZWMSZTUXGFVZQN-KRWDZBQOSA-N 323.440 3.932 0 40 DHAB O=[S@@](Cc1cn2ccccc2n1)c1cccc(C(F)(F)F)c1 83977457 BQSWROMOFSJTHM-JOCHJYFZSA-N 324.327 3.661 0 40 DHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CC[C@@H](c2ccccc2)C1 84525511 XXNWHIRSFGRPSO-GUDVDZBRSA-N 306.409 3.742 0 40 DHAB CC(=O)Nc1cccc(Nc2nc(-c3ccncc3)cs2)c1 94993303 VBAGYLOKXINNAH-UHFFFAOYSA-N 310.382 3.907 0 40 DHAB CO[C@H](CNC(=O)c1ccccc1SC)c1ccccc1C 96104960 ARRULXDADNDRAX-MRXNPFEDSA-N 315.438 3.834 0 40 DHAB C[C@@H]1COCCN1C(=O)Nc1sc2ccccc2c1Cl 96406754 VACMIBZEZWGOJL-SECBINFHSA-N 310.806 3.807 0 40 DHAB c1csc(-c2nccn2Cc2csc([C@@H]3CCCO3)n2)c1 97037334 NPSMEUOSEGZRSC-LBPRGKRZSA-N 317.439 3.968 0 40 DHAB COc1cc(OC)c(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1Cl 102935309 WDKRKERMGMBUOO-DCAQKATOSA-N 307.777 3.508 0 40 DHAB CCN(Cc1ccccc1)C(=O)CCc1ccc(OC)c(C)c1 223391741 RDCMGIUYRVQSQH-UHFFFAOYSA-N 311.425 3.985 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(Cl)cc2)c1 223975654 URRPABWDWKGWIQ-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1 225605107 RPMOCRGIIYUWAD-INIZCTEOSA-N 307.390 3.564 0 40 DHAB CC[C@H](NC(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 225757767 UYXSHDODTAWDAF-HNNXBMFYSA-N 320.433 3.787 0 40 DHAB CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cc(F)ccc1F 245289919 GATCRISVXOCJBC-VBQJREDUSA-N 316.351 3.731 0 40 DHAB C[C@H](c1cccnc1)N1CCC(C(=O)c2ccc(F)cc2)CC1 278794596 FGEHVOZDKUXFMF-CQSZACIVSA-N 312.388 3.877 0 40 DHAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccn2ccnc2c1 294836934 HPDFZJBTYQZVTM-UHFFFAOYSA-N 314.414 3.649 0 40 DHAB O=C(N1CCC2(CC1)CC2(F)F)C1(c2ccc(F)cc2)CC1 650601993 ISPFIZCVCQXVLH-UHFFFAOYSA-N 309.331 3.505 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)c(OC)c1 147316 FHIXDLPMOYIBGT-IEZBTEQYSA-N 311.381 3.594 0 40 DHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 244969 RTOXIKUBQUMKHU-INIZCTEOSA-N 303.427 3.793 0 40 DHAB CCO[P@@](=O)(c1ccccc1Cl)[C@H](O)c1ccccc1 523325 IBADJSYOHMKQHF-YWZLYKJASA-N 310.717 3.971 0 40 DHAB Cc1nc2ccc(NC(=O)Cc3ccccc3F)cc2s1 2617786 LAASDDQVSZOKGL-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)C2(C)C 3138781 RFDAODQLHRYDLY-UHFFFAOYSA-N 323.392 3.777 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 3514847 JVAVQDQUZRTYLK-GFCCVEGCSA-N 317.772 3.949 0 40 DHAB O=C(COc1cccc(Cl)c1)NCc1ccccc1Cl 3516038 CBZATUIBWNWLND-UHFFFAOYSA-N 310.180 3.689 0 40 DHAB CC(=O)c1ccccc1NC(=O)CSc1ccc(F)cc1 3598191 RSCLBZAVKSUYHR-UHFFFAOYSA-N 303.358 3.759 0 40 DHAB Cc1ccc(OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 4546278 XGCHIJHRKMTYLA-KXBFYZLASA-N 301.430 3.801 0 40 DHAB CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 5031746 ZTBMOOKXITVSAM-SMOSDQRPSA-N 309.409 3.805 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=S)NC(=O)c1ccccc1Cl 5559473 KLLGQTYQLZBSLF-GWCFXTLKSA-N 310.850 3.523 0 40 DHAB COc1ccccc1/C=C/C(=O)NC12CC3CC(CC(C3)C1)C2 6584023 FXEGIFQPNKDYRX-VOTSOKGWSA-N 311.425 3.793 0 40 DHAB O=C(O)CCS[C@@H](C(=O)c1ccccc1)c1ccccc1 6927704 CANFKVBSHXGYOR-QGZVFWFLSA-N 300.379 3.819 0 40 DHAB CC(C)=CC(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 7651556 HYPJDKXPOURGIT-VIFPVBQESA-N 316.184 3.830 0 40 DHAB COc1ccc(CNC(=O)CCSCc2ccccc2)cc1 7685772 RBDHOHPSDMAPTB-UHFFFAOYSA-N 315.438 3.635 0 40 DHAB Cc1cccc2nc(CSc3ccc(F)c(F)c3)cc(=O)n12 7927475 VYKTZSOEGZACFH-UHFFFAOYSA-N 318.348 3.573 0 40 DHAB Cc1ccc(C(=O)OCc2nc(-c3ccccc3)no2)cc1F 8260036 GCDQMJPGBTZROD-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB CC1=C(c2ccc(NC(=O)C(C)C)cc2)N2CCCN=C2S1 8389460 JJCSLMSOQSFDFQ-UHFFFAOYSA-N 315.442 3.778 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1cc2cc(C)ccc2n1C 8614924 SKYTZWWQVABOBI-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1 8719271 YXQIQQUXCXUTEX-UHFFFAOYSA-N 312.266 3.895 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2cccs2)c(F)c1 9446096 HXVHSEWJGGINEH-GFCCVEGCSA-N 306.406 3.827 0 40 DHAB Cc1c(Cl)cccc1-n1ccnc(NCCC(C)C)c1=O 9639248 XEKQKGYIIOSTTI-UHFFFAOYSA-N 305.809 3.652 0 40 DHAB Cc1nsc2ncc(C(=O)c3cc(Cl)ccc3O)cc12 10024860 RBSYKCVWQBVSLO-UHFFFAOYSA-N 304.758 3.590 0 40 DHAB COc1ccc(OC)c(NC(=O)CCc2ccc(C)cc2C)c1 10029982 VGIYDKDUMMKIEZ-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2ccc(F)cc2N1 12754630 VZQRTSVQUNDLRH-ZDUSSCGKSA-N 318.735 3.544 0 40 DHAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1 12886876 VHKNENGHUWSECL-HNNXBMFYSA-N 300.427 3.696 0 40 DHAB Clc1ccc(OCCSC2=N[C@@H]3CCCC[C@H]3N2)cc1 14196666 OVGUHKDYNWRFGA-ZIAGYGMSSA-N 310.850 3.722 0 40 DHAB CC[C@H](NC(=O)COc1ccccc1F)c1ccc(C)cc1 14602631 SWTAYXABXDNFBQ-INIZCTEOSA-N 301.361 3.780 0 40 DHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2C1 18241583 BTTQZUYLTAOLGJ-OPRDCNLKSA-N 312.196 3.919 0 40 DHAB COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)C(C)C)s2)cc1 21872228 ATHULYWURXKTLN-LLVKDONJSA-N 318.442 3.901 0 40 DHAB CCOc1ccc(CNCCc2ccccc2F)cc1OCC 22074660 ICEBHVRSFFUKAA-UHFFFAOYSA-N 317.404 3.955 0 40 DHAB Cc1ccc(Cn2nc(C)c(NC(=O)c3ccccn3)c2C)cc1 27922181 VRMMGPVYXLFABL-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB COc1ccc(OCC(=O)Nc2ccc(C)c3ncccc23)cc1 31092698 NBODXTSXAQGUDK-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB O=c1cc(COc2ccccc2Cl)c2ccc(O)cc2o1 32666457 DMETXDJTKVSJQL-UHFFFAOYSA-N 302.713 3.731 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)cc1 32764888 AAKWRHXHBGZJKK-UHFFFAOYSA-N 312.344 3.735 0 40 DHAB Cc1nc(NC(=O)CCOCC(C)C)sc1-c1ccccn1 32924329 PVKCCEPGYJAZGX-UHFFFAOYSA-N 319.430 3.515 0 40 DHAB CCCc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 35594951 DSKDYBSSXISGTC-LJQANCHMSA-N 309.409 3.853 0 40 DHAB O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(F)cc1F 40086933 RDISUEHZGSWLNT-UHFFFAOYSA-N 316.351 3.813 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CCOc2ccccc2Cl)o1 40087837 DUKRYDRQUNOUPP-LBPRGKRZSA-N 307.777 3.888 0 40 DHAB COc1ccc2cccc(NC(=O)c3ccc(F)c(F)c3)c2n1 49027919 URJBDCARWZQAMU-UHFFFAOYSA-N 314.291 3.774 0 40 DHAB Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(F)cc4)C3)nc2c1 49168992 CAZNMUYIXLSFCC-HNNXBMFYSA-N 309.388 4.000 0 40 DHAB biogenic,in-vitro Cc1nn(C)c(C)c1[C@H](C)C(=O)OCc1ccccc1Cl 58609302 GHLBUAZZWQBIIJ-JTQLQIEISA-N 306.793 3.537 0 40 DHAB CC(C)C[C@H](N)c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 62716607 DVLVMQDVFADKSO-ZDUSSCGKSA-N 319.792 3.702 0 40 DHAB CC1(C)COCCN1Cc1csc(-c2ccc(F)cc2)n1 64517824 BRGSBDSLVJGTPI-UHFFFAOYSA-N 306.406 3.560 0 40 DHAB CN(Cc1ccccn1)C(=O)[C@H](OC1CCCC1)c1ccccc1 69657480 FDKADGBQGUSZMJ-LJQANCHMSA-N 324.424 3.741 0 40 DHAB Cc1ccccc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 71185682 QCDBMHUTQWSUNT-UHFFFAOYSA-N 324.355 3.762 0 40 DHAB Cc1nn(C)c(C)c1C(=O)N[C@@H](C)Cc1ccc2ccccc2c1 72280469 FKGKHLCQFXVJHU-ZDUSSCGKSA-N 321.424 3.551 0 40 DHAB CS[C@@H](C)c1cccc(NC(=O)N[C@@H](CO)c2ccco2)c1 76070406 KJSDOLCNHCOKGD-FZMZJTMJSA-N 320.414 3.559 0 40 DHAB O=C(Nc1cc(C(F)(F)F)ccc1O)[C@H]1C[C@@H]1c1cccnc1 81458866 YCSXCYYIRZGKQK-NEPJUHHUSA-N 322.286 3.548 0 40 DHAB C[C@@H](CCc1cccc(F)c1)NCc1ccc([S@@](C)=O)cc1 85324803 HXWZHCWGBBQQFJ-FPTDNZKUSA-N 319.445 3.674 0 40 DHAB Cc1ccc(CC(=O)NCc2ccc(OC(C)C)c(F)c2)s1 89656507 QGXKJGGHYIJVDN-UHFFFAOYSA-N 321.417 3.842 0 40 DHAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccsc1 96119779 QPZBYZYYEDIDBW-UHFFFAOYSA-N 317.391 3.564 0 40 DHAB CN(CCC1CCOCC1)C(=O)C1(Cc2ccccc2)CCC1 96465881 VZWPIUHGLCVEKC-UHFFFAOYSA-N 315.457 3.675 0 40 DHAB COc1ccc([C@H](N[C@H]2C=CCCC2)C2CCOCC2)cc1 97230810 USFZEQPIOOKLGJ-HKUYNNGSSA-N 301.430 3.861 0 40 DHAB CC(=O)c1ccc(I)c(C(F)(F)F)c1 98210807 FGZLBRSGHFZEDL-UHFFFAOYSA-N 314.044 3.513 0 40 DHAB C[C@H](NC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccc(F)c(F)c1 103027676 LKSFKLGIWIOFNC-DRZSPHRISA-N 321.367 3.537 0 40 DHAB C[C@@H](NC(=O)COc1cccc(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103075006 IQLFKLHHRFOXPQ-JXFSHQFZSA-N 307.821 3.660 0 40 DHAB O[C@@]12O[C@]34CCCC[C@@H]3C[C@]13CC[C@@H]2C[C@H]1CCCC[C@]13O4 105364455 NYWUQKFITQFOEY-GWETXUJWSA-N 304.430 3.741 0 40 DHAB Nc1ccc(NCCC2=CCCCC2)c(C(=O)N2CCCC2)c1 225457114 GGLBWJJSSDMOGA-UHFFFAOYSA-N 313.445 3.807 0 40 DHAB O=C(NCCCCC(F)(F)F)[C@H]1C[C@]12CCc1ccccc12 225502289 FMPQBXJYCMWBPG-ZBFHGGJFSA-N 311.347 3.739 0 40 DHAB O=C(Nc1ccc(F)c(F)c1F)c1ccnc(OCC2CC2)c1 244975056 HZURVBUKVMBBIB-UHFFFAOYSA-N 322.286 3.540 0 40 DHAB CCOC(=O)[C@@H]1CN[C@H](c2ccccc2)C[C@H]1c1ccccc1 245240968 VRGSYPCBWQRFQZ-OTWHNJEPSA-N 309.409 3.684 0 40 DHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccs2)S1 260769126 KGIPBQCACLWJFH-DDTOSNHZSA-N 301.440 3.732 0 40 DHAB CN(Cc1ccoc1)[C@@H](C(=O)O)c1ccccc1C(F)(F)F 572848576 QJHAQDVMNJLCKG-CYBMUJFWSA-N 313.275 3.556 0 40 DHAB Cc1ccc(-c2nnc(SCc3ccc(C)c(C)c3)n2N)cc1 525546 BZSUPVWROLUREO-UHFFFAOYSA-N 324.453 3.876 0 40 DHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)c(C)c1 2749924 UYHVEPQQIBBQHY-AWEZNQCLSA-N 302.399 3.544 0 40 DHAB Cc1nn(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl 2767634 LGNDCQYEHVVIFH-UHFFFAOYSA-N 317.698 3.653 0 40 DHAB CCOc1cc(C=O)cc(Br)c1OC1CCCC1 2770932 KHJKTRLXSAWVTI-UHFFFAOYSA-N 313.191 3.982 0 40 DHAB CCCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3313030 FJZQLUHQODKNCQ-UHFFFAOYSA-N 304.173 3.665 0 40 DHAB O=C(Oc1ccc2ccccc2c1Br)[C@H]1CCCO1 3431695 PVLVUMDRMOYFTO-CYBMUJFWSA-N 321.170 3.687 0 40 DHAB O[C@@](c1ccccc1)(c1cccnc1)C(Cl)(Cl)Cl 3844310 PIFPFCFRPXPWQS-LBPRGKRZSA-N 302.588 3.688 0 40 DHAB biogenic COC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12 4137166 MLEZEIRJLHGUIA-UHFFFAOYSA-N 312.344 3.865 0 40 DHAB CC(C)(C)C(=O)NC(NC(=O)C(C)(C)C)c1ccc(Cl)cc1 4185354 MYZZLLWGUDGGQS-UHFFFAOYSA-N 324.852 3.663 0 40 DHAB O=c1nc(SCc2ccccc2Cl)c2c([nH]1)CCCC2 4317102 DYRYOFZPPJGESH-UHFFFAOYSA-N 306.818 3.594 0 40 DHAB Cc1ccsc1[C@@H]1CC(=O)Oc2c1c(=O)oc1ccccc21 4754187 QIQLXXXXSUJURE-LLVKDONJSA-N 312.346 3.604 0 40 DHAB Cc1cccc(NC(=S)NC2=NN(c3ccccc3)CC2)c1 5687594 SULNKBIVUMFUBP-UHFFFAOYSA-N 310.426 3.505 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(F)cc1 5715075 QDULZIQUGZTYNX-UHFFFAOYSA-N 322.792 3.535 0 40 DHAB O=C1O[C@H](CC(=O)c2ccccc2Cl)C(Cl)=C1Cl 5722108 JEUZGICJQYCREJ-SECBINFHSA-N 305.544 3.527 0 40 DHAB Cc1ccc(Cl)c(OC(=O)c2cc(=O)[nH]c3ccccc23)c1 6153975 OJAOXWAQMUDICS-UHFFFAOYSA-N 313.740 3.709 0 40 DHAB CCc1ccc(/C=C/C(=O)Nc2ccc3nccnc3c2)s1 6661076 NVIJEQXWEUZLNW-SOFGYWHQSA-N 309.394 3.906 0 40 DHAB CN(Cc1nc(-c2ccccc2)no1)C(=S)Nc1ccccc1 6719173 PIFVMIBELBNJKA-UHFFFAOYSA-N 324.409 3.565 0 40 DHAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 6965699 SIVVBLBAINUZLC-LXIYXOSZSA-N 306.365 3.915 0 40 DHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2)c1C 7734846 ZWFTXOJGVCNEBD-GFCCVEGCSA-N 317.410 3.782 0 40 DHAB O=C(Cc1noc2ccccc12)OCc1c(F)cccc1Cl 7862432 BFEDCQLQBULOKR-UHFFFAOYSA-N 319.719 3.906 0 40 DHAB Cc1ccc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)o1 8180274 KBISFPIXKMXOQW-WQLSENKSSA-N 319.263 3.534 0 40 DHAB C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1 8389918 BSSUORIHMZYCIP-LBPRGKRZSA-N 309.818 3.722 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)NCCc1ccccc1F 8404245 YOUFETIVQNYXPP-UHFFFAOYSA-N 310.372 3.599 0 40 DHAB CC(C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 9112779 SUCKUIFHEIZKMK-UHFFFAOYSA-N 303.362 3.796 0 40 DHAB O=C(Oc1ccccc1)N1CCN(c2ccccc2Cl)CC1 9945500 FQBYUNDHKUECHY-UHFFFAOYSA-N 316.788 3.661 0 40 DHAB O=C(Nc1nnc(CSc2ccccc2)o1)C1CCCCC1 10689810 SZGNOCUIYGTBRT-UHFFFAOYSA-N 317.414 3.881 0 40 DHAB COc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 11544176 BBRTUFRABQMMNT-UHFFFAOYSA-N 324.384 3.582 0 40 DHAB O=C(NCCOc1ccc2ccccc2c1)c1ccccc1F 12755426 PIWQKMTWQQYHFY-UHFFFAOYSA-N 309.340 3.788 0 40 DHAB CC(C)c1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 12995472 RVKYTULFRZABQG-INIZCTEOSA-N 308.381 3.875 0 40 DHAB C[C@H](C(=O)Nc1ccccc1)N(C)Cc1cccc(Cl)c1 13095291 YYAUWUFWNZJAQW-CYBMUJFWSA-N 302.805 3.799 0 40 DHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1ccncc1 13208436 WUMQAAGGMOOERD-DUXPYHPUSA-N 307.180 3.718 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2cc(C(C)(C)C)on2)c1 13744986 MJXDCTSMZGLTQR-UHFFFAOYSA-N 302.374 3.606 0 40 DHAB Cc1nc(N)nc2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 15424333 CADRVUXEUFGSJB-ZDUSSCGKSA-N 309.413 3.577 0 40 DHAB O=C(NCCCn1ccc2ccccc21)c1cccnc1Cl 15743572 JXQHYBZUTMOGOE-UHFFFAOYSA-N 313.788 3.510 0 40 DHAB Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nnnc3N2)cc1C 15866367 VDIXLHZTZDCXCL-DLBZAZTESA-N 323.375 3.575 0 40 DHAB CC[C@H](C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1 17207772 VQJDIRREVPLGPB-LBPRGKRZSA-N 313.382 3.930 0 40 DHAB aggregator O=C(C[C@@H]1CCCO1)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373788 DBHYFDDKMQQRBN-TXTPUJOMSA-N 313.441 3.644 0 40 DHAB O=C(c1ccccc1F)N1CCCC[C@H]1CCN1CCCCC1 21170588 IDENQCILGUNOTG-INIZCTEOSA-N 318.436 3.696 0 40 DHAB CC(=O)Nc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1F 24990986 IVYYMELASXQRTD-UHFFFAOYSA-N 324.714 3.829 0 40 DHAB CO[C@](Nc1ccccn1)(C(=O)c1ccccc1)c1ccccc1 31772279 IAQPNUKRXSJVPX-FQEVSTJZSA-N 318.376 3.876 0 40 DHAB CC(C)[C@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccccc1 40002683 OHCMDCOUVYMADX-YOEHRIQHSA-N 316.470 3.740 0 40 DHAB COc1ccc(OC)c([C@@H](O)c2ccccc2Br)c1 40244807 OKWRMOAWYHFPMG-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB Cn1ncc2c1CCC[C@@H]2NCc1cccc(C(F)(F)F)c1 42229418 WZVMSSLVZWQECD-AWEZNQCLSA-N 309.335 3.606 0 40 DHAB CC(=O)n1nccc1[C@@H](C)Sc1ncccc1C(F)(F)F 43804412 WADNJPIKNDXQHL-MRVPVSSYSA-N 315.320 3.810 0 40 DHAB Cc1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 44140359 WJLUPZYEWQZHKO-HZPDHXFCSA-N 319.518 3.649 0 40 DHAB COc1ccc(CN(C)C(=O)CCCOc2ccccc2)cc1 44818694 FKXJEDZDWREWOV-UHFFFAOYSA-N 313.397 3.513 0 40 DHAB CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccsc1 46088737 HZBZDYJCDBNHFG-HZPDHXFCSA-N 306.475 3.676 0 40 DHAB Clc1ccc([C@@H](NCc2noc(C3CC3)n2)C2CC2)cc1 53606989 OLJFCGFFVTURFJ-HNNXBMFYSA-N 303.793 3.841 0 40 DHAB CS(=O)(=O)c1ccccc1N[C@@H]1CCCc2sccc21 61327367 XCCYVUCQECRCRT-GFCCVEGCSA-N 307.440 3.641 0 40 DHAB CCOc1nc(Cl)nc(Nc2cccc(C(F)(F)F)c2)n1 61515893 SVCTYKPQZVOARW-UHFFFAOYSA-N 318.686 3.686 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@@H]1c1ccccc1F 69753546 LZVVTWAMCUYFCU-ZIAGYGMSSA-N 316.401 3.580 0 40 DHAB CC[C@@H](C)[C@H](C)N(C(=O)Nc1cc(C(N)=O)ccc1C)C1CC1 71921479 HTLDBWAXGFCJDW-YPMHNXCESA-N 317.433 3.525 0 40 DHAB Cc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1Cl 73634363 RMDNYFCCTRUYAX-UHFFFAOYSA-N 318.711 3.833 0 40 DHAB O=C(/C=C/SCc1ccco1)NCc1cccc(Cl)c1 75109530 YXTOOUDHRZHOQP-SOFGYWHQSA-N 307.802 3.996 0 40 DHAB O=C(Cc1ccc(F)cc1)N1CCC(c2cccs2)CC1 75157014 WYIXHQBFLZIBBB-UHFFFAOYSA-N 303.402 3.836 0 40 DHAB CCN(Cc1cccs1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 78047093 JHZFVLOZRUBHNR-CQSZACIVSA-N 324.490 3.827 0 40 DHAB O=C(CCc1ccc2c(c1)CCO2)Nc1ccc2cc[nH]c2c1 79190149 AUZVNOCITQJZAA-UHFFFAOYSA-N 306.365 3.674 0 40 DHAB biogenic Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc2cc[nH]c2c1 79488491 PKAPJJLMQRTYOC-UHFFFAOYSA-N 316.364 3.821 0 40 DHAB O=[S@@](Cc1coc(-c2cccs2)n1)c1cccc(F)c1 83979135 JGZLESNSXWWPJM-HXUWFJFHSA-N 307.371 3.850 0 40 DHAB Cc1cc(N[C@H](C)CC(C)(C)c2ccccc2)n2ncnc2n1 84109956 NZCXTGLGFLVZTK-CQSZACIVSA-N 309.417 3.601 0 40 DHAB c1ccc2sc([C@@H]3CCCN3c3nc(C4CC4)no3)nc2c1 89875027 GDBQBJKHUFHMSJ-LBPRGKRZSA-N 312.398 3.898 0 40 DHAB CCCc1cc(NC(=O)N(C)[C@H]2CCc3ccccc32)n(C)n1 91093528 VCSSSOOTJGPPHC-INIZCTEOSA-N 312.417 3.524 0 40 DHAB CC[C@H](CSC)N(C)C(=O)NCc1ccnc2ccccc12 91226418 DIJSJMLNULFXBL-CQSZACIVSA-N 317.458 3.518 0 40 DHAB COc1ccc(-c2ccnc3nc(C4CCCCC4)nn23)cc1 95474789 RKEYLLPQHZKEJI-UHFFFAOYSA-N 308.385 3.848 0 40 DHAB Cc1ccc(CC(=O)NCC(C)(C)c2ccccc2Cl)o1 95973680 QNZVAGQGQPYSCJ-UHFFFAOYSA-N 305.805 3.878 0 40 DHAB CC(C)C[C@@H]1C[C@@H](NC(=O)c2cc3cccc(F)c3o2)CCO1 95991266 YUOOUCXBJFPOJZ-UONOGXRCSA-N 319.376 3.895 0 40 DHAB O=C(C1CC1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96001356 OSRGLPBPYKQRMW-OAHLLOKOSA-N 311.385 3.590 0 40 DHAB Cc1csc([C@@H](NC(=O)NCc2cc(C)oc2C)C2CC2)n1 96440299 KIEXSYIPEJJCAO-AWEZNQCLSA-N 319.430 3.612 0 40 DHAB CC(=O)n1cc([C@H]2OC(=O)C(C)=C(O)C2(C)C)c2ccccc21 100754228 CDLCKCRMKMNNOY-MRXNPFEDSA-N 313.353 3.758 0 40 DHAB biogenic CCc1ccccc1N(CC)S(=O)(=O)c1ccc(F)cc1 224907154 DBWJRBSRYAVFHM-UHFFFAOYSA-N 307.390 3.603 0 40 DHAB CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 225229206 KNIMVCDNUSUQTQ-GDBMZVCRSA-N 322.880 3.713 0 40 DHAB O=C(O)c1ccc(C(=O)N(Cc2ccoc2)C2CCCCC2)o1 237974870 IDDQHMZCIOCLMA-UHFFFAOYSA-N 317.341 3.546 0 40 DHAB c1cc2nc(c1)CCCN(Cc1ccsc1)CCOCCC2 2037977989 DXAJRZJLFOEMKJ-UHFFFAOYSA-N 316.470 3.541 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 3597953 WLHMHFDUYVOKHS-UHFFFAOYSA-N 322.364 3.510 0 40 DHAB CCc1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 4079099 ZUAIDXDPMQXLCH-UHFFFAOYSA-N 305.447 3.646 0 40 DHAB CCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cn1 4858198 JBSAWPNUWVKDMY-UHFFFAOYSA-N 303.387 3.524 0 40 DHAB O=C(Nc1cccnc1)c1cc2c(s1)-c1ccccc1OC2 4909561 ZOCRZDPQFKQMKM-UHFFFAOYSA-N 308.362 3.955 0 40 DHAB Fc1ccc(-c2nnn(Cc3ccccc3C(F)(F)F)n2)cc1 5036937 VRJMSXDNBWOFSJ-UHFFFAOYSA-N 322.265 3.546 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3C)o2)c(C)c1 5169622 UROKYIBGXHDYHM-UHFFFAOYSA-N 307.353 3.914 0 40 DHAB O=C(OCc1cccc(Cl)c1)c1cc(=O)c2ccccc2o1 5657391 RWEANYSQJDLWJN-UHFFFAOYSA-N 314.724 3.803 0 40 DHAB Cc1ccc(-c2nc(CC(=O)NCc3ccco3)cs2)cc1 6669521 JDYVITLVWMGHFR-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB Cc1ccccc1N1C[C@H](C(=O)Oc2cccc(C)c2C)CC1=O 7929307 YEJKTGUJHXIPFO-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB COc1ccc(NC(=O)CSCc2ccccc2Cl)cn1 8077951 TXKZLTMJHCOSLS-UHFFFAOYSA-N 322.817 3.616 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)c(O)c1 8304874 FCXJAAQCJYGWPI-UHFFFAOYSA-N 309.724 3.511 0 40 DHAB O=C(c1ccco1)N1N=C(c2cccc(O)c2)C[C@H]1c1ccco1 8734919 AQPYSBWEJULLNJ-HNNXBMFYSA-N 322.320 3.570 0 40 DHAB Cc1cnc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)s1 10556272 KIUPIODXCBQKCS-UHFFFAOYSA-N 312.826 3.518 0 40 DHAB COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1C 11287790 UWUDHEASYTYRMW-GBXVVTRASA-N 312.413 3.606 0 40 DHAB CCc1[nH]c2ccc(C(=O)Nc3c(CC)c(C)nn3C)cc2c1C 12201037 NFTRMVUDQJVNBP-UHFFFAOYSA-N 324.428 3.895 0 40 DHAB O=C(Cc1ccc(F)cc1)OCc1cc(-c2ccccc2)no1 12760036 VXBASBNUTGUZGA-UHFFFAOYSA-N 311.312 3.767 0 40 DHAB O=C(c1ccc(Cl)cc1)c1ccc(O[C@H]2CCCNC2)cc1 14631745 WGTGNCXIULQFAZ-KRWDZBQOSA-N 315.800 3.702 0 40 DHAB CN(Cc1ccco1)Cc1nnc(-c2ccccc2Cl)o1 15306582 VRSGPYKQMNECBT-UHFFFAOYSA-N 303.749 3.615 0 40 DHAB CCOC(=O)c1cnn(-c2ccccc2Cl)c1C(F)(F)F 15442349 LIPCCCJYDHJXLJ-UHFFFAOYSA-N 318.682 3.721 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)s2)c1 18204378 NRUGTQACRGGWMG-LLVKDONJSA-N 305.399 3.565 0 40 DHAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cccs1 27584189 GKPSLPOBEAMFHS-ZDUSSCGKSA-N 320.483 3.767 0 40 DHAB CCCn1nccc1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28305753 FNRFVLGPVKGXMQ-OAHLLOKOSA-N 322.412 3.575 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c4c(cccc24)CC3)no1 28800365 VDWIEJFGJQXMHY-GFCCVEGCSA-N 321.380 3.674 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccc(Br)o2)cc1 32610133 MBZKFYZKOWKZKV-SECBINFHSA-N 324.174 3.542 0 40 DHAB CCN1CCC[C@H]1CNCc1cc(Cl)ccc1OC(F)F 35054722 VFGLOEPKEDQYND-ZDUSSCGKSA-N 318.795 3.515 0 40 DHAB CC(C)c1nn(C)cc1CNc1ccc(Cl)c(C(=O)O)c1 37314623 VLVLUZRBGDRKMJ-UHFFFAOYSA-N 307.781 3.507 0 40 DHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC3CCCCC3)cc2)C1 38832573 ILMRSYDPMRVVEF-MRXNPFEDSA-N 314.473 3.981 0 40 DHAB COc1ccc(OC)c2c(Nc3cccc(C(=O)O)c3)ccnc12 40175630 YSJSFSPJGSVKOQ-UHFFFAOYSA-N 324.336 3.694 0 40 DHAB O=C(C[C@@H]1CCC[C@H]1C(=O)O)c1ccccc1C(F)(F)F 43879141 UJTUPPKERXWIIR-VHSXEESVSA-N 300.276 3.779 0 40 DHAB CN(C)Cc1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1 44276935 HHOBMFVTEPCMDN-LJQANCHMSA-N 323.440 3.947 0 40 DHAB CCN(CC)CC1CCN(C(=O)CCCc2ccccc2)CC1 49075181 WTKPFVUVAYXBQN-UHFFFAOYSA-N 316.489 3.590 0 40 DHAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C)o4)C3)o2)cc1 49169931 CXUACMPDKVXMAX-INIZCTEOSA-N 323.396 3.936 0 40 DHAB biogenic,in-vitro COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)n[nH]2)cc1 51315555 UDLCPOQKUFGPAG-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB Cc1ccc(NC(=O)CNCc2cccc(Cl)c2)c(C)c1 58160404 WYXYYBAFWDBICF-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB Cc1cc(C(=O)O)c2c(Cc3ccc(C(C)C)cc3)noc2n1 62710677 PURYAAPAGPKHSR-UHFFFAOYSA-N 310.353 3.944 0 40 DHAB Cc1ccccc1C1(CNC(=O)N(C)[C@@H](C)c2cccnc2)CC1 69584063 KDAAXSAGLCRGIZ-INIZCTEOSA-N 323.440 3.824 0 40 DHAB O=C(c1occc1-c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 69816651 VFVAGRPJHRFNIN-MRXNPFEDSA-N 321.380 3.620 0 40 DHAB Cc1cccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccccc2)c1 72329130 UPFUWAPDESWMCX-CQSZACIVSA-N 305.381 3.876 0 40 DHAB CC(=O)N1CCC[C@H](c2ccc(-c3ccc(F)c(F)c3)cn2)C1 72365760 IZELKAGCBYQSDN-HNNXBMFYSA-N 316.351 3.753 0 40 DHAB CC(C)C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccccn1 95422978 PWHSZVALJYDNOB-NVXWUHKLSA-N 304.459 3.728 0 40 DHAB C[C@H]1CCCN(c2ccccc2OCc2nnc(C3CC3)o2)C1 96428905 UGOOFQWRLQSTBX-ZDUSSCGKSA-N 313.401 3.762 0 40 DHAB CS[C@H](C)CC(=O)N(Cc1ccccc1)c1ccncc1 183257255 ZWSWYDRONUWFLD-CQSZACIVSA-N 300.427 3.756 0 40 DHAB O=C(Cc1cnc2ccccc2c1)N(CC1CC1)c1cccnc1 195573982 SFZGIBQKMKRGNX-UHFFFAOYSA-N 317.392 3.616 0 40 DHAB COc1cc(Cl)c2[nH]c(-c3cccc(C(=O)O)c3)nc2c1 216920067 HZULDPMGYZKDRL-UHFFFAOYSA-N 302.717 3.590 0 40 DHAB CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 225126141 FLRHVRNKFXIPNK-UHFFFAOYSA-N 321.345 3.592 0 40 DHAB CC1CCN(C[C@@H](O)CCO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 253531679 VKHVDMQUWAJNHZ-DOADOZAASA-N 323.521 3.701 0 40 DHAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2cccs2)ccn1 257297675 RIKKRKJXMKGKLK-HNNXBMFYSA-N 300.427 3.689 0 40 DHAB Cc1ccccc1CNC(=O)c1cccc(-c2c(C)noc2C)n1 257304823 SNGUCSLIMQGZPH-UHFFFAOYSA-N 321.380 3.592 0 40 DHAB CCc1cnccc1[C@H](C)NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 332799546 QQOWVWFSBWKEJJ-RKTXRCNFSA-N 315.461 3.973 0 40 DHAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccccc3)nn2)c1 408531524 UNHQWIKSNFLBKL-UHFFFAOYSA-N 304.349 3.980 0 40 DHAB Cc1ncn(-c2ccc(NC(=O)c3nccn3C(C)C)cc2)c1C 1569827291 HUHAVFNAVPMLGY-UHFFFAOYSA-N 323.400 3.519 0 40 DHAB CCC(=O)c1cn(CC(=O)N(C)c2ccccc2)c2ccccc12 560794 AUSWGXDVICZGLF-UHFFFAOYSA-N 320.392 3.897 0 40 DHAB Cc1cc(C)c(C(=O)CSc2nnc3ccccn23)cc1C 2620359 OIIRPPUSTUSUST-UHFFFAOYSA-N 311.410 3.630 0 40 DHAB C[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 3354571 RHBSBJVODWGSLF-JTQLQIEISA-N 309.287 3.918 0 40 DHAB COc1ccc(CSc2nncn2-c2ccccc2)cc1F 3546126 GEBRMOAQMAOCSZ-UHFFFAOYSA-N 315.373 3.707 0 40 DHAB C[C@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCC1 4416232 KMIMUNJWKNUUOF-NZSAHSFTSA-N 313.441 3.764 0 40 DHAB CCCC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cc1 4696272 DBBKQQWKQHQMOW-UHFFFAOYSA-N 310.397 3.697 0 40 DHAB Cc1ccnc(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 4726137 REYWIEMARDEEFE-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB COc1cccc(-c2ccc(SCc3ccncc3)nn2)c1 5381037 QDVGBSDOWLYDLJ-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB Cc1ccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 5388522 DBBWUJQDBNSCFF-UHFFFAOYSA-N 310.784 3.920 0 40 DHAB CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)cs1 5971778 ISYCPXCLOXQRHX-LLVKDONJSA-N 306.456 3.817 0 40 DHAB O=C(NCCc1csc(-c2cccs2)n1)c1ccccc1 6719645 HFUXRKMRBIECEG-UHFFFAOYSA-N 314.435 3.844 0 40 DHAB Cc1cc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)no1 7816396 XRCCKZUZABORTF-UHFFFAOYSA-N 311.312 3.932 0 40 DHAB O=C(CNc1ccccc1Oc1ccccc1)NC1CCCC1 8724722 SRRITIQQTFPHHO-UHFFFAOYSA-N 310.397 3.950 0 40 DHAB Cc1cccc(OCCC(=O)Nc2ccc3oc(C)nc3c2)c1 9455506 PIZKOLBRBRPCJE-UHFFFAOYSA-N 310.353 3.852 0 40 DHAB O=C(Nc1ccccc1)c1cccnc1SCC(F)(F)F 12819283 PCTGHZBHUSQNBV-UHFFFAOYSA-N 312.316 3.988 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 13056678 JUEDHDJGNFBYDF-RYUDHWBXSA-N 324.852 3.573 0 40 DHAB Cc1cccc2c3c([nH]c12)CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)C3 19236573 CMKAYMDLPLRQCP-IJEWVQPXSA-N 306.409 3.573 0 40 DHAB CCC[C@H](C(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 21137877 OKLPWEGBWQRHDZ-SFHVURJKSA-N 324.424 3.911 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24929605 OEENRHDGSQZCNN-GZMMTYOYSA-N 308.353 3.607 0 40 DHAB O=C(NCc1coc(-c2cccs2)n1)c1cc2ccccc2[nH]1 26065745 CCZIPYHZQPHHHX-UHFFFAOYSA-N 323.377 3.814 0 40 DHAB C[C@H](c1ccccc1)N1C[C@H](c2nc3ccccc3[nH]2)CC1=O 26474599 GCTAARMPVICEKH-UKRRQHHQSA-N 305.381 3.640 0 40 DHAB CCc1ccccc1SCC(=O)c1ccc(C(=O)O)cc1 28527120 YIZNGLHVASYROA-UHFFFAOYSA-N 300.379 3.922 0 40 DHAB COc1cccc(CCCNC(=O)Cc2cc(C)ccc2C)c1 30856437 XSENPBHNZBTIOY-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB Clc1ccc2c(NCc3cn4ccccc4n3)ncnc2c1 32806310 JPKQFMZCVKVNPP-UHFFFAOYSA-N 309.760 3.543 0 40 DHAB CCOc1cccc(/C=C2\C(=O)N(C)c3ccccc32)c1OC 33476433 PRDDDRLPXRFHHX-QINSGFPZSA-N 309.365 3.611 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)Nc1ccc(F)c(F)c1F 40097347 FJOXLONOUJLXKX-UHFFFAOYSA-N 320.314 3.957 0 40 DHAB CN(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 40526949 VEJCFUPLRYIHPP-UHFFFAOYSA-N 323.396 3.699 0 40 DHAB Cc1nsc(NC(=O)N2CCC[C@@H](C3CCCCC3)C2)n1 55098929 SDXOERYXUMOXKS-CYBMUJFWSA-N 308.451 3.671 0 40 DHAB O=C(c1cnccn1)N1CCC(c2cccc3ccccc23)CC1 58725284 HZAPPZHMKCMZKP-UHFFFAOYSA-N 317.392 3.650 0 40 DHAB COc1ccc(-c2cnc(CN3CCn4cccc4[C@@H]3C)o2)cc1 68474051 FMOMSQRELPBARY-AWEZNQCLSA-N 323.396 3.729 0 40 DHAB O=C(NCc1ccsc1)N[C@@H](c1ccccc1)c1ccncc1 69703571 HZVKQDKNLDGKFW-KRWDZBQOSA-N 323.421 3.732 0 40 DHAB Cc1cc(C[S@@](=O)Cc2csc(-c3ccsc3)n2)on1 69705013 OTELCXLAVVBBJH-HXUWFJFHSA-N 324.452 3.617 0 40 DHAB C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1C(F)(F)F 71824495 ZGKAJJFQPXKEPR-NHYWBVRUSA-N 322.330 3.583 0 40 DHAB CCC(CC)c1cc(C(=O)N2CCn3cccc3[C@H]2C)on1 72295597 PTUYWSBKFNSWFG-GFCCVEGCSA-N 301.390 3.597 0 40 DHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1sccc1C1CC1 84562945 NMVCBISSAADPDR-UHFFFAOYSA-N 323.421 3.946 0 40 DHAB CC[C@H](CNCc1ccc([S@@](C)=O)cc1)c1ccccc1 85298541 KUTAHDNOOTYVIX-IERDGZPVSA-N 301.455 3.707 0 40 DHAB Cc1ccc2c(c1)[C@@H](N)CC21CCN(C(=O)OC(C)(C)C)CC1 91302967 KGAVNJKNZBBSRY-INIZCTEOSA-N 316.445 3.667 0 40 DHAB in-vitro CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C 95642739 XFKIFDHXCLAUQA-QGZVFWFLSA-N 318.461 3.764 0 40 DHAB O=C(NC1CC1)c1cc2c(OCc3ccccc3)cccc2[nH]1 96096696 FHURSPLKLUWIBD-UHFFFAOYSA-N 306.365 3.639 0 40 DHAB COc1cc(C(C)=O)ccc1SCc1cnc2ccccn12 96494649 WZOLHYPLEGLFCP-UHFFFAOYSA-N 312.394 3.838 0 40 DHAB O=C(CC(=O)c1ccccc1)CC(=O)c1ccccc1Cl 100478329 NECJZFQJCVKVEE-UHFFFAOYSA-N 300.741 3.755 0 40 DHAB CCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)ns1 140190553 JKUMXVNWACXGOD-UHFFFAOYSA-N 303.170 3.689 0 40 DHAB C[C@@H](CC(F)(F)F)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 158013230 OWVVFDKUZXHOPO-QWRGUYRKSA-N 322.321 3.722 0 40 DHAB COc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)cc1OC(C)C 184208479 VCCVPYULAKTHBW-ZIAGYGMSSA-N 318.417 3.602 0 40 DHAB CCCOc1ccc(C(=O)NCc2ccc(OCC)cc2)cc1 218982009 NWHFKJGOQZDODG-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB Cc1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222891107 FPWCFTXSBPKECR-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)C1=CCOCC1 225422638 HCJNOPBIGHKBQV-INIZCTEOSA-N 319.470 3.637 0 40 DHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1 225693760 IDSITHZAEJXPJS-SFHVURJKSA-N 323.433 3.636 0 40 DHAB CCOc1ccccc1NC(=O)c1conc1-c1ccccc1 225871494 UVOLQOJGYHVLKY-UHFFFAOYSA-N 308.337 3.993 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)c(C)n1 225893025 CPBDIQPBZYLSGG-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB Fc1cc(F)cc(CN2CCC[C@H]2c2cccc3nccn23)c1 257229786 FZMBBQLIDXEKTB-INIZCTEOSA-N 313.351 3.950 0 40 DHAB C[C@@]12CCN(C(=O)Cc3ccc4ccccc4c3)[C@@H]1CC[C@@H](O)C2 257324809 WQGWVZLYSURTRD-SBHAEUEKSA-N 323.436 3.534 0 40 DHAB Cc1cc(C)cc(CN2CCn3c(-c4ccncc4)cnc3C2)c1 306144446 ZFMXJGOHXOACNG-UHFFFAOYSA-N 318.424 3.578 0 40 DHAB CCc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)s1 409083314 VEQUNAPTZCIZNL-UVTDQMKNSA-N 304.415 3.536 0 40 DHAB FC(F)(F)CNc1cccc(OCCOCC(F)(F)F)c1 1083811846 YJXUBOWHPIMYER-UHFFFAOYSA-N 317.229 3.619 0 40 DHAB CC(C)(CNC(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 1565519158 BAIDTRDYUIHSHG-UHFFFAOYSA-N 318.398 3.576 0 40 DHAB Cc1nc(NCc2cccnc2)c2c3c(sc2n1)CCCC3 237014 BUUUWHQNWVGQPT-UHFFFAOYSA-N 310.426 3.886 0 40 DHAB COc1ccc([C@@]2(C)CC2(Br)Br)cc1 500227 NWFRTSLXRDGBHY-SNVBAGLBSA-N 320.024 3.843 0 40 DHAB CCOC(=O)C(C)(Cc1c(C)c(C)cc(C)c1C)C(=O)OCC 1673195 OEQQWEYHNYXRRG-UHFFFAOYSA-N 320.429 3.595 0 40 DHAB CCc1nnc(NC(=O)CCCOc2ccc(C)cc2C)s1 1914028 ZRQHLCZJFRVDEG-UHFFFAOYSA-N 319.430 3.515 0 40 DHAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccco1 2483581 OYWPGWZWFSSLPM-UHFFFAOYSA-N 301.323 3.533 0 40 DHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cs1 2624730 HCPBDIGLEDTIBE-SNVBAGLBSA-N 308.428 3.579 0 40 DHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)s1 3429237 QNRAWOVEMWYOOP-JTQLQIEISA-N 323.801 3.894 0 40 DHAB CCCCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C 4033053 VXKVLZMWHBSBRZ-UHFFFAOYSA-N 308.385 3.833 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1nc2cc3c(cc2s1)OCO3 4348367 BJNGRNWMRKLDPH-VOTSOKGWSA-N 324.361 3.677 0 40 DHAB CC(=O)Nc1cccc(OC(=O)/C=C/c2ccc(Cl)cc2)c1 4503120 ZSBFTJVRDJATEF-JXMROGBWSA-N 315.756 3.917 0 40 DHAB Clc1ccc(-c2csc(N3CCN4CCC[C@@H]4C3)n2)cc1 4577488 OEVKPPCAYSTFIC-CQSZACIVSA-N 319.861 3.748 0 40 DHAB Cc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)c1 4826555 KENASSGUCAENHO-UHFFFAOYSA-N 308.337 3.710 0 40 DHAB Cc1ccc(-c2ccc(CNCCCN(C)C)o2)cc1Cl 4999759 JYFIWYYATNVJLN-UHFFFAOYSA-N 306.837 3.950 0 40 DHAB CCc1ccc(Oc2nc3n(c(=O)c2CC)CCCS3)cc1 5243457 LNVKJUUSKGWFLM-UHFFFAOYSA-N 316.426 3.656 0 40 DHAB Cc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1Cl 5251461 DWPGOJNVBTZGGD-UHFFFAOYSA-N 320.820 3.594 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCCO2)OC/C=C/c1ccccc1 5308102 NVZWZFDDVRYFSC-WUZDHUPESA-N 322.360 3.728 0 40 DHAB COc1ccc([C@H](C)c2cc3c(cc2OC(C)=O)OCO3)cc1 6437398 WJWZERQIBARMMW-NSHDSACASA-N 314.337 3.501 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C 6455781 FXMYFPOBYHRDNB-ULQDDVLXSA-N 305.462 3.813 0 40 DHAB C[C@H](NC(=O)Cc1ccccc1)c1ccc(Br)cc1 6652344 UKUFSUWYMAXMLE-LBPRGKRZSA-N 318.214 3.869 0 40 DHAB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=O)cc1 6883074 MKRRFRHANUMHMW-UHFFFAOYSA-N 322.364 3.597 0 40 DHAB CCc1ccc([C@H](C)NC(=O)CSc2nc(C)cs2)cc1 7195470 ICQTZQHEYUAXPF-LBPRGKRZSA-N 320.483 3.983 0 40 DHAB Cc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1 8109844 DAWAPIGSWGFLIP-UHFFFAOYSA-N 322.773 3.590 0 40 DHAB Cc1ccc2[nH]c(=O)c(-c3noc(-c4cccs4)n3)cc2c1 9157979 SJHCIIUUMBMFGR-UHFFFAOYSA-N 309.350 3.615 0 40 DHAB Cc1cc(C)c(NC(=O)NC(=O)c2ccc(F)cc2)c(C)c1 10434319 MEABCIXUMKSETK-UHFFFAOYSA-N 300.333 3.713 0 40 DHAB COc1ccccc1NC(=O)c1cc2ccccc2c(=O)s1 12274397 JIJDKCCCGUEGPT-UHFFFAOYSA-N 311.362 3.522 0 40 DHAB CCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 13617677 AQSSOERDRZZLJN-UHFFFAOYSA-N 316.788 3.732 0 40 DHAB Cc1nn(CN2CCC[C@@H]2c2ccccc2)c(=S)n1C1CC1 14139793 YZSDWUXMGVPHGF-MRXNPFEDSA-N 314.458 3.852 0 40 DHAB O=C(Cc1ccc2ccccc2c1)NCCOc1ccccc1 17849931 HHAIJLSHDYSGOE-UHFFFAOYSA-N 305.377 3.578 0 40 DHAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2)cc1 19935113 ZIBDRJUDYIRMLJ-GFCCVEGCSA-N 319.401 3.804 0 40 DHAB CC(C)Oc1ccc([C@H](CCN2CCN(C)CC2)C(C)C)cc1 20589784 VQJJGCNIZPNNAP-HXUWFJFHSA-N 318.505 3.851 0 40 DHAB Cc1cccc(NC(=O)Cc2nc(-c3cccs3)oc2C)n1 24364624 RRQIHMCIDSNLBM-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB Cc1ccc(-n2c(S)nnc2COc2ccccc2)cc1C 26439393 DDRFJVAZFGYURS-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB COc1ccc(CN(C)C[C@H](O)c2ccc(Cl)cc2)cc1 31912127 QOWAEAOVVVVSBP-KRWDZBQOSA-N 305.805 3.514 0 40 DHAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1 32930803 OTFPLFUAKYEYRX-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB C[C@@H](CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1 35287329 GDOPUQCTURWFRZ-NSHDSACASA-N 311.212 3.946 0 40 DHAB CCOC(=O)c1c(COCc2ccccc2)cccc1OC 35973510 XLWBKEYRMBMOGY-UHFFFAOYSA-N 300.354 3.589 0 40 DHAB O=C(Cn1c2c(c3ccccc31)CCC2)NCc1cccs1 36708626 OJSVRGDZZHIROK-UHFFFAOYSA-N 310.422 3.508 0 40 DHAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)C1=COCCO1 40160038 JQYYQXABOVGKBG-UHFFFAOYSA-N 321.332 3.927 0 40 DHAB Fc1cc(Cl)ccc1-c1nnc2sc(C3CCC3)nn12 40287289 CJTHTNFFRCSGCU-UHFFFAOYSA-N 308.769 3.913 0 40 DHAB O=C(Nc1cccc(NC(=O)[C@@H]2CC=CCC2)c1)c1ccncc1 40509622 VZJZVTAGVSNKCU-CQSZACIVSA-N 321.380 3.629 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)COc1ccc2ccccc2c1 41686452 KZCUTXXXOYINPY-UHFFFAOYSA-N 321.376 3.583 0 40 DHAB CC(C)=CC(=O)NCCc1ccc(-c2csc(C)n2)cc1 42005879 HEVPFULPLHTZQT-UHFFFAOYSA-N 300.427 3.743 0 40 DHAB CC(C)CCN(C(=O)Nc1cccc(-c2nnco2)c1)C1CC1 44085129 NQJPJAAXTGXZLA-UHFFFAOYSA-N 314.389 3.779 0 40 DHAB OC1CCC(NCc2ccc(-c3ccccc3F)s2)CC1 44861658 DHIIAJNMKZMTOW-UHFFFAOYSA-N 305.418 3.947 0 40 DHAB Cc1ccccc1-c1noc(COc2ncnc3sccc23)n1 49875688 BGOBENLXKGZSFV-UHFFFAOYSA-N 324.365 3.629 0 40 DHAB COc1c(C)cnc(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1C 50448717 LRJBFQZFERFCJE-ZBFHGGJFSA-N 316.445 3.562 0 40 DHAB CCc1nc(CC(=O)N[C@H](C)c2ccc(SC)cc2)cs1 55247652 KTWUQFOULLPVEN-LLVKDONJSA-N 320.483 3.847 0 40 DHAB c1csc(-c2nc(CN3CCC(c4cc[nH]n4)CC3)co2)c1 58268864 TUZIAVURGOUPAD-UHFFFAOYSA-N 314.414 3.506 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](C)c1cccs1 58278306 IYRSHEVZJDOANM-SNVBAGLBSA-N 316.382 3.724 0 40 DHAB CC(C)CN(Cc1nnc(Cc2ccccc2)o1)CC(C)C 60356088 CGIYAXVJOKFEOD-UHFFFAOYSA-N 301.434 3.774 0 40 DHAB Nc1c(-c2ccc(F)cc2)nsc1C(=O)NC1CCCCC1 67334806 MDTLQDBHHNUEDE-UHFFFAOYSA-N 319.405 3.594 0 40 DHAB Cc1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1 69515465 OMMQBUCUEVFMFD-INIZCTEOSA-N 300.358 3.622 0 40 DHAB COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N)n2)c(OC)c1 71977491 DCNSHUQZVMBCST-UHFFFAOYSA-N 321.380 3.718 0 40 DHAB O=C(NCc1cccnc1)[C@@H]1C[C@H]1c1cccc2ccccc12 89873207 XKVHTAJLJLKICM-RBUKOAKNSA-N 302.377 3.655 0 40 DHAB CO[C@@H](CN[C@@H](C)c1cnc(C)nc1C)c1ccccc1Cl 90453402 JRVXACUDALASGE-GTNSWQLSSA-N 319.836 3.785 0 40 DHAB FC(F)(F)Oc1cnc(Br)cc1C(F)(F)F 91252411 WXIPARQPBIRXHI-UHFFFAOYSA-N 309.991 3.762 0 40 DHAB C[C@@H](CCn1cncn1)N[C@H]1CCSc2ccc(Cl)cc21 95421074 IRRGBWPQHMTZHE-FZMZJTMJSA-N 322.865 3.537 0 40 DHAB CCc1cnc(CSCc2noc(-c3ccc(F)cc3)n2)o1 95965960 GJURMOXDAGMRNC-UHFFFAOYSA-N 319.361 3.860 0 40 DHAB Cc1csc(CNc2ccc(SCCN(C)C)cc2)n1 95971953 ZIWFOZQWBUEFTH-UHFFFAOYSA-N 307.488 3.717 0 40 DHAB O=C(c1cccc2ccccc12)N1CCCC[C@@H]1c1ncc[nH]1 96403399 NAIHXSLOAOWEER-QGZVFWFLSA-N 305.381 3.930 0 40 DHAB Cc1ccccc1CNc1ccccc1NC(=O)c1cnccn1 96499897 LHWIFYCQHLXWNZ-UHFFFAOYSA-N 318.380 3.649 0 40 DHAB Cc1cc2ncc([C@H](C)Nc3ccc4nc(C)oc4c3)c(C)n2n1 97038121 VWBOYIFQRNRGFX-NSHDSACASA-N 321.384 3.969 0 40 DHAB Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc3sncc3c1)C2 97102761 DFHVCWZHLWRKJD-MRXNPFEDSA-N 324.405 3.855 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cnc3ccccc3n1)C2 101511239 IPORSHBZBMRUEA-UVIMBBFXSA-N 309.413 3.574 0 40 DHAB O=C(Nc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1)c1ccco1 102708867 OQYQZQIZPFGTOD-XEZPLFJOSA-N 322.364 3.683 0 40 DHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 113956345 GWUBMBRWSRFVAY-MRXNPFEDSA-N 321.779 3.953 0 40 DHAB c1cc(CN[C@@H]2CCCc3occc32)cc(Cn2ccnc2)c1 192653455 WEHHZJRAVVVQHM-GOSISDBHSA-N 307.397 3.692 0 40 DHAB Cc1cccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c1 222619998 XOLDSGNLUCYSJY-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB CCOc1ccccc1CNC(=O)CCc1ccc(Cl)cc1 225306059 TUJSGXMJIGYYJZ-UHFFFAOYSA-N 317.816 3.988 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN(C)[C@H](C)C1CC1 225354539 AMRCHEXOZFYEQS-OLZOCXBDSA-N 308.853 3.590 0 40 DHAB CCOc1cccc(CNC(=S)Nc2ccc(F)c(F)c2)c1 225439637 YUARJBZTXFJVHV-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB Cc1cc(C)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C 225647054 SVIPLUULLGZARO-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB COc1cc(C)c(NC(=O)C(C)(C)Sc2ccccc2)cn1 225960228 WWCJMWBMGNXQLN-UHFFFAOYSA-N 316.426 3.908 0 40 DHAB CC(C)N1CC[C@@H](Cc2cccnc2-c2ccccc2C(=O)O)C1 257223599 DYBDORGRYDZLBM-HNNXBMFYSA-N 324.424 3.720 0 40 DHAB COC(=O)c1cc(-c2ccc(Cl)cc2Br)on1 260363734 PTBYEDKRHWMGRM-UHFFFAOYSA-N 316.538 3.544 0 40 DHAB COc1ccc(OC)c(C(=S)NCc2ccccc2Cl)c1 408574492 RGQSZDBUJJGOLK-UHFFFAOYSA-N 321.829 3.823 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(-c3ccco3)o2)cc1 575609185 QQZYNZKZNMDEBH-UHFFFAOYSA-N 311.337 3.868 0 40 DHAB CCCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN1 953015717 GLENANZLCHGVSV-NRFANRHFSA-N 322.452 3.545 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC(C)C)c(C)c1 136073 CSIGETWJTRGNHT-CVEARBPZSA-N 315.413 3.776 0 40 DHAB COc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 268472 PCOMVWCEKNKFCK-UHFFFAOYSA-N 317.414 3.847 0 40 DHAB COc1cc([C@@H]2Nc3ccccc3-c3cc(C)nn32)ccc1O 817680 QEPUEEKKMBNASE-GOSISDBHSA-N 307.353 3.545 0 40 DHAB FC(F)(F)c1nnc2c(Cl)nc3ccc(Cl)cc3n12 1400774 AYXRADUSDDFHBN-UHFFFAOYSA-N 307.062 3.603 0 40 DHAB O=C(O)COc1ccc(/C=C/c2ccnc3ccccc23)cc1 1740539 OGWRIWKRKUQRKV-VMPITWQZSA-N 305.333 3.869 0 40 DHAB Cc1cccc(NC(=O)c2ccn(COc3ccccc3)n2)c1C 2797909 YETHGXGNEBNYAT-UHFFFAOYSA-N 321.380 3.789 0 40 DHAB Cc1[nH]c2ccccc2c1[C@@H](CC(=O)c1ccccc1)C(=O)O 3135617 JJNKYPAILBWIEK-OAHLLOKOSA-N 307.349 3.918 0 40 DHAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 3547676 RRTHQLRLQBNQML-UHFFFAOYSA-N 301.317 3.643 0 40 DHAB CC(C)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 3912439 ZHQZEQQRTRVHIV-UHFFFAOYSA-N 321.833 3.867 0 40 DHAB O=C(Nc1nnc(-c2ccco2)o1)c1cccc(C(F)(F)F)c1 4107273 RCJPKPINFAMDMP-UHFFFAOYSA-N 323.230 3.601 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@@H]1CCCC[C@@H]1SC[C@@H]2O 4918129 QSGJCDIDVQRUTA-OSMZGAPFSA-N 324.442 3.519 0 40 DHAB CCn1c(CNC(=O)[C@@H](C)Oc2ccccc2)cc2ccccc21 4973463 ZWQVVSCUDGFDDV-OAHLLOKOSA-N 322.408 3.745 0 40 DHAB COc1ccccc1CNC(=O)N/C=C/c1ccccc1Cl 5527586 XMBGRQDRUCDMRB-ZHACJKMWSA-N 316.788 3.819 0 40 DHAB CC[C@@H](C(=O)c1ccccc1)c1cccc2c1N(C(C)=O)CC2 5599385 BETPHMROWLUSHW-QGZVFWFLSA-N 307.393 3.972 0 40 DHAB CCOc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1 6947709 KPGNBIXWXJOOEV-UHFFFAOYSA-N 308.337 3.563 0 40 DHAB Cc1cc(C)c(S(=O)(=O)NC[C@H](C)c2ccccc2)c(C)c1 7309584 GAEWQWVCTVGQMK-INIZCTEOSA-N 317.454 3.694 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c(C)c1 7915091 QRVPNABPZXSOBH-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CNc1ccc(C)c(F)c1 7973075 XKZTTYBKYXBYGU-UHFFFAOYSA-N 322.767 3.847 0 40 DHAB CN(C)Cc1ccc(CNC(=O)c2ccc3ccccc3c2)cc1 8062795 ANXWSLAWYDRGNM-UHFFFAOYSA-N 318.420 3.831 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)c1 8944388 AGUASBCDDPTOBT-RYUDHWBXSA-N 324.380 3.782 0 40 DHAB CC(=O)c1ccc(OCC(=O)N[C@H](c2ccccc2)C2CC2)cc1 11211554 PCUUTLWVBDVRRM-HXUWFJFHSA-N 323.392 3.536 0 40 DHAB Cc1nnc(SCc2ccc(C(=O)O)cc2)c2ccccc12 11692445 KGXRLZIBYGJIKE-UHFFFAOYSA-N 310.378 3.929 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1 11740535 MURBJLGKZXOUEC-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB Cc1ccc(Cl)cc1N1CCN(Cc2c(C)noc2C)CC1 12608288 APFQMXLWKGHMGO-UHFFFAOYSA-N 319.836 3.575 0 40 DHAB C[C@H]1CCc2c(sc3ncnc(NCC[C@@H]4CCCO4)c23)C1 12878102 UMCCFAUDHUYWTE-RYUDHWBXSA-N 317.458 3.797 0 40 DHAB COc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 13701311 RXCJOFBCBUZLIV-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB c1ccc(-n2cnc(SCc3nc4ccccc4o3)n2)cc1 14084342 ZBJOFRVKVVDEBI-UHFFFAOYSA-N 308.366 3.701 0 40 DHAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCC)CC1=O 14095093 NMXWXTUOUMPJEM-HNNXBMFYSA-N 313.445 3.952 0 40 DHAB Cc1ccc(Cc2cnc(NC(=O)c3ccccn3)s2)cc1 14115950 AUOLBAURWIJFNR-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(F)c(F)c1 16130700 MJSHGLQLDJMUMZ-UHFFFAOYSA-N 323.364 3.644 0 40 DHAB COc1ccccc1NC(=O)NCCc1ccc(Cl)cc1 18177219 BGUYNOKZOZIWPM-UHFFFAOYSA-N 304.777 3.713 0 40 DHAB O=C(C[C@H]1C=CCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 22832293 FAJMXGRNIPWXIG-AWEZNQCLSA-N 307.397 3.535 0 40 DHAB CC(C)(C(=O)Nc1ccncc1)c1ccc(Br)cc1 27578760 BOGZUSQUIWDBOJ-UHFFFAOYSA-N 319.202 3.760 0 40 DHAB COc1cccc(NC(=O)Nc2ccnn2C2CCCC2)c1 28247704 NGZZRUJMXZIHMT-UHFFFAOYSA-N 300.362 3.651 0 40 DHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CC1CCCCC1 28698998 MWHQTSCWXCYROO-ZDUSSCGKSA-N 319.401 3.536 0 40 DHAB O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1Cc2ccccc2O1 29071019 WOJRIJXJZWKTLH-LJQANCHMSA-N 323.392 3.950 0 40 DHAB Cc1cc(CN(C)c2nc(C(F)(F)F)nc3ccccc23)no1 31653563 APZFCZLYCFJXTE-UHFFFAOYSA-N 322.290 3.581 0 40 DHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(F)ccc1F 36397299 JUGVFDSBGOUFOB-SNVBAGLBSA-N 309.743 3.979 0 40 DHAB CCC(=O)Nc1cc(NC(=O)NC2CCCCC2)ccc1C 36567126 CVAWZILXHOIYCO-UHFFFAOYSA-N 303.406 3.798 0 40 DHAB CC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1ccc(C)cc1 36628665 AEQKMXKFHUJSGE-UHFFFAOYSA-N 318.376 3.923 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c(N)c1 37064615 SFVOCPVTPJRULG-UHFFFAOYSA-N 319.202 3.521 0 40 DHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc2ncsc2c1 38678695 UVMPNCLKYRGCOL-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB Cc1ccn2cc(C(=O)Nc3ccc4[nH]c(C)cc4c3)nc2c1 40081328 OXIIXDMIRQCAAI-UHFFFAOYSA-N 304.353 3.685 0 40 DHAB Cc1noc([C@H](C)S(=O)(=O)c2cc(C(C)(C)C)ccc2C)n1 44946956 OVKUQUHAFJHXNB-NSHDSACASA-N 322.430 3.519 0 40 DHAB Cc1cc([C@H]2CCCN2CCCc2nc3ccccc3o2)on1 48278797 QGQDLLMXKKCROX-OAHLLOKOSA-N 311.385 3.894 0 40 DHAB Cc1noc(C)c1[C@H]1SCC(O)=Nc2c1cnn2C(C)(C)C 49546486 ZNCXKQNYCQFDJB-ZDUSSCGKSA-N 320.418 3.667 0 40 DHAB Cn1c([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)nc2ccccc21 54666829 UOHKMYXZEVVFRK-YJBOKZPZSA-N 323.440 3.983 0 40 DHAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1ccccc1Cl 55778689 NTUACRUKZQDMQO-INIZCTEOSA-N 318.804 3.851 0 40 DHAB COc1cc(CNC(C)(C)c2ccccc2)cc(OC)c1OC 57994452 DFKFOQYTNASRIV-UHFFFAOYSA-N 315.413 3.737 0 40 DHAB O=C(/C=C/c1nc2ccccc2o1)N1CCC(n2cccc2)CC1 58419035 SIKTWRCJSKISJT-BQYQJAHWSA-N 321.380 3.506 0 40 DHAB Cc1nc([C@@H](NCc2ccc(Cl)cc2)c2ccccc2)n[nH]1 69169009 KAASBHZREPPLNR-INIZCTEOSA-N 312.804 3.646 0 40 DHAB Cc1nc(COc2ccc(C(=O)NC3CCCC3)cc2)oc1C 69518866 HHMWGYJDAQYHRK-UHFFFAOYSA-N 314.385 3.543 0 40 DHAB CCc1nnc(S[C@H](C)c2ccc(OC)c(Cl)c2)n1C 69620550 IWJBWLSJECYMKG-SECBINFHSA-N 311.838 3.893 0 40 DHAB COc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1F 71325902 YCJTUZXQSUSDHB-UHFFFAOYSA-N 312.316 3.921 0 40 DHAB CCc1nc(C)c(-c2nccn2-c2ccc(OC)c(Cl)c2)[nH]1 71639674 CPUQLKZJDACBMR-UHFFFAOYSA-N 316.792 3.795 0 40 DHAB CC(C)c1nc([C@@H]2CCCN2Cc2nc3ccccc3o2)no1 75581749 QJJZYJUTOQNNAT-ZDUSSCGKSA-N 312.373 3.671 0 40 DHAB O=C1CCCN1C1CCN([C@@H]2CCCCc3ccccc32)CC1 78972654 YBKPAWFILVJLJG-LJQANCHMSA-N 312.457 3.541 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 89969146 LNJDRUSGCCXBJL-CWFSZBLJSA-N 323.436 3.828 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2NCC1(SC)CCOCC1 90112542 MVAKIXVAFLCEBV-QGZVFWFLSA-N 321.486 3.574 0 40 DHAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(O)cc1 95431707 OKJDFBFLMGDHNB-CABCVRRESA-N 301.411 3.524 0 40 DHAB O=C(Cc1ccco1)O[C@H](c1cccc(F)c1)c1ccccn1 95447841 VHUNPKSBJCHVFX-GOSISDBHSA-N 311.312 3.689 0 40 DHAB COc1c(Cl)cccc1NC(=O)N(C)[C@@H](C)CSC 96413378 OAXBJRLIHMGRTO-VIFPVBQESA-N 302.827 3.564 0 40 DHAB O=C(CCc1ccccn1)N[C@H](c1cc(F)ccc1F)C1CC1 96432678 YORVREVXCTXFAP-SFHVURJKSA-N 316.351 3.560 0 40 DHAB Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](CCC(=O)O)C1 97045098 BITDMACSFFRSLV-CVEARBPZSA-N 317.429 3.592 0 40 DHAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccc(O)cc1 97165198 HRWZGQJQDMECTP-HNNXBMFYSA-N 322.320 3.570 0 40 DHAB CC(C)N(C)C(=O)N[C@@H](CC1CCOCC1)c1ccccc1 97237398 YGVZDRUKBZOHLS-KRWDZBQOSA-N 304.434 3.594 0 40 DHAB Cc1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc1 100815580 NGTNGCYOERDLKV-VLGSPTGOSA-N 316.813 3.943 0 40 DHAB CCc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1 101275285 IPVDNZKVGPNAQK-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB O=C(Nc1ncccc1OCC1CCCCC1)[C@@H]1CCCCO1 126550298 HPLIQDYITBNPFE-INIZCTEOSA-N 318.417 3.548 0 40 DHAB Cc1ccc(C)c(CC(=O)N[C@H](C)COc2ccccc2C)c1 219276127 VTJZWVDLXAGBFC-QGZVFWFLSA-N 311.425 3.738 0 40 DHAB Cn1c(=O)sc2cc(NC(=O)c3cc4ccccc4o3)ccc21 225058386 WXYPEURQDBSBMH-UHFFFAOYSA-N 324.361 3.599 0 40 DHAB C[C@](O)(CNC(=O)Nc1cccs1)c1cc2ccccc2o1 238838328 HGDUQVZCVUMTDM-INIZCTEOSA-N 316.382 3.524 0 40 DHAB Cc1nc(-c2ccc(CC3CCN(C)CC3)cn2)sc1C 257280390 OKQMLRSLWVYVSN-UHFFFAOYSA-N 301.459 3.706 0 40 DHAB Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)cc1C 260845693 WBHVYOLTBKPXFT-QGZVFWFLSA-N 322.452 3.875 0 40 DHAB O=C(Nc1ccc2nccnc2c1)N1CC[C@H](c2ccccc2)C1 408735230 MRHXGZNHOXSCNQ-HNNXBMFYSA-N 318.380 3.651 0 40 DHAB O=C(Nc1ccccc1Cl)c1ccc2nc(C3CC3)cn2n1 1888904159 GMIGHKHJFHCTIQ-UHFFFAOYSA-N 312.760 3.512 0 40 DHAB COc1ccc(Br)cc1-c1noc(C(F)(F)F)n1 34335 RASGYPMZIGUSKV-UHFFFAOYSA-N 323.068 3.527 0 40 DHAB COc1ccc(C(=O)c2oc3ccc(Cl)cc3c2N)cc1 2485541 JYGANBYTZMNZOW-UHFFFAOYSA-N 301.729 3.908 0 40 DHAB O=S(=O)(Nc1cccc(F)c1)c1cc(Cl)ccc1Cl 3020594 VRJTXSDUKXHDCA-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(F)c(Cl)c1 3494323 BKIXTKGOVLFIBL-UHFFFAOYSA-N 319.763 3.985 0 40 DHAB C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4174201 XNBAAZXHOCDGQL-ZKDNPSPCSA-N 322.191 3.695 0 40 DHAB NC(=O)c1ccsc1NC(=O)c1ccc(-c2ccccc2)cc1 4275723 JPUOSEFXLLGARO-UHFFFAOYSA-N 322.389 3.766 0 40 DHAB CC(C)(C)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 4305083 KSSVSUHUNVWGHW-MRXNPFEDSA-N 312.413 3.546 0 40 DHAB Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@H]2C(C)C)cc1 4827812 HRSUJLDSSMFIOV-NVXWUHKLSA-N 320.458 3.570 0 40 DHAB CC[C@H](C(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1 4966533 HSFSMAMJZRQHBZ-ZOBUZTSGSA-N 317.429 3.513 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 5440645 LBAUQYCAVHSOKR-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 5511433 GJMLGYXXCNTIRW-UHFFFAOYSA-N 305.333 3.879 0 40 DHAB COc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1Cl 5526562 PYSJSEDXUZURDM-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC 5560268 BTWQQJSPCWAOAO-UHFFFAOYSA-N 317.410 3.607 0 40 DHAB COc1ccc(OC)c(NC(=O)CCCOc2ccccc2)c1 5661273 NCLBPWIZXXZROE-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB O=C(OCc1cc(-c2ccco2)on1)c1c[nH]c2ccccc12 7545656 AFALMOYAXCBNPJ-UHFFFAOYSA-N 308.293 3.773 0 40 DHAB COC(=O)c1cnn(-c2nc3ccc(C)cc3s2)c1C(C)C 8715316 FDNMRGOXOZZCSL-UHFFFAOYSA-N 315.398 3.700 0 40 DHAB CCOc1ccc(-c2ccc(C)c(NC(=O)CC(C)C)c2)nn1 11694193 BKCZIGJRZOTMBV-UHFFFAOYSA-N 313.401 3.835 0 40 DHAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccc(F)cc1 11864681 SPFOCVDPIANSQT-WEVVVXLNSA-N 302.301 3.511 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)Nc3cc(C)on3)ccc2c1 12822309 LMETVQVQLGQDAI-LBPRGKRZSA-N 310.353 3.887 0 40 DHAB Cc1csc(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)n1 13007066 OYSXVNQYPAVTLU-UHFFFAOYSA-N 323.830 3.634 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ncnc2ccccc12 13126255 VYWPWDJDNVEWIM-BETUJISGSA-N 315.442 3.511 0 40 DHAB COc1cc(CN[C@@H](C)c2ccccc2C)cc2c1OCCO2 14137397 BYKUARXRNNQKTR-AWEZNQCLSA-N 313.397 3.626 0 40 DHAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCOCC1 15630267 BAUHKBZCMWQHIA-UHFFFAOYSA-N 307.802 3.541 0 40 DHAB Ic1ccc(-c2nc3ccccc3[nH]2)cc1 16525135 WUYIWNAPTKDVCK-UHFFFAOYSA-N 320.133 3.835 0 40 DHAB COc1cc(C)c(NC(=O)Nc2ccc(F)cc2)cc1OC 18176657 FWVLMIOOFSWPBA-UHFFFAOYSA-N 304.321 3.795 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1cnn(Cc2ccccc2)c1 20894609 YJCIILZSEDYPHZ-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)C1CC1 28573637 BIJIARJGTGNQME-UHFFFAOYSA-N 310.184 3.587 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 30750871 JJAGONBALIMJAH-KGLIPLIRSA-N 301.361 3.779 0 40 DHAB O=C(CCc1ccccc1F)NCc1nc2ccccc2s1 30948991 CCSLMRLQUPSOFA-UHFFFAOYSA-N 314.385 3.684 0 40 DHAB O=NN(Cc1ccc(Cl)cc1)[C@@H](C(=O)O)c1ccccc1 31772134 WBRGEXSDDDAVMU-CQSZACIVSA-N 304.733 3.649 0 40 DHAB in-vitro Cc1cccc(C(=O)N[C@@H]2CCC[C@H](OCC(F)(F)F)C2)c1 32818362 SUZWGIFKBFYTCK-KGLIPLIRSA-N 315.335 3.615 0 40 DHAB Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)O)cc1CC2 32919131 AGAHNPLUDBYJOV-UHFFFAOYSA-N 310.378 3.706 0 40 DHAB C[C@@H](Oc1ccc(C(=O)Nc2ccncc2)cn1)c1ccccc1 40144784 SEEPTKLTAPMYFH-CQSZACIVSA-N 319.364 3.869 0 40 DHAB CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1S 40175537 JLHBYJKVSLXGMG-UHFFFAOYSA-N 301.289 3.719 0 40 DHAB CC(C)CCC(=O)NCc1ccc(CN2CCCCC2)cc1 48286419 XRKWYWHDEPTGHR-UHFFFAOYSA-N 302.462 3.725 0 40 DHAB Cc1nn(C)c2sc(C(=O)N3c4ccccc4C[C@@H]3C)cc12 54562790 NXBKZVZXCFCYIU-JTQLQIEISA-N 311.410 3.535 0 40 DHAB O=C(NCc1ccncc1)c1ccc(Sc2ccccn2)cc1 58293921 JLPDLGKEEDETFA-UHFFFAOYSA-N 321.405 3.558 0 40 DHAB CC(C)CCC(=O)NCCOc1ccc(C(F)(F)F)cc1 59309302 RYUMNMITBLJAQR-UHFFFAOYSA-N 303.324 3.637 0 40 DHAB CCc1nc(CN(C)CCCCCn2cc(C)cn2)cs1 65605645 NXMDNPSDHBGSJQ-UHFFFAOYSA-N 306.479 3.513 0 40 DHAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2)cn1)C1CCC1 72215424 WPKBOKOUBHPWRW-HNNXBMFYSA-N 317.433 3.800 0 40 DHAB CCSc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72217105 UHMZQFTXYKDJKA-UHFFFAOYSA-N 324.446 3.681 0 40 DHAB Cc1ccc(F)c(NC(=O)N[C@](C)(CO)C2CCCCC2)c1 72313539 DFCMBGAUENMKKZ-QGZVFWFLSA-N 308.397 3.587 0 40 DHAB CC(=O)N1CCC(Cc2nccnc2-c2cccc(C)c2C)CC1 72365874 FKEQTNLWALYKGT-UHFFFAOYSA-N 323.440 3.561 0 40 DHAB CC(C)CN(CC(C)C)C(=O)c1coc(Br)c1 78463817 FSDYTEDTFICWQV-UHFFFAOYSA-N 302.212 3.796 0 40 DHAB Cc1nc2cc(NC(=O)NC3CC3)ccc2n1-c1ccccc1 84287095 OQFPNBJDSPONAS-UHFFFAOYSA-N 306.369 3.618 0 40 DHAB CCOC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1F 85397453 UGKHWWXNTXCHQG-UHFFFAOYSA-N 316.328 3.784 0 40 DHAB C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc2[nH]ccc12 95435122 QFPDBBIDYZFCRK-LLVKDONJSA-N 312.394 3.621 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)Cn1ccc2sccc2c1=O 95458210 KTMFSOSUHSRCEH-UHFFFAOYSA-N 322.389 3.736 0 40 DHAB CCc1c(C)nc2ccccc2c1N1CCC(n2cncn2)CC1 95993841 GVAQVCIPRBCOKP-UHFFFAOYSA-N 321.428 3.539 0 40 DHAB C/C(=C\C(=O)N(C)Cc1c(C)noc1C)CCc1ccccc1 96256402 PUCCEWLPSBIVJP-WYMLVPIESA-N 312.413 3.829 0 40 DHAB CC[C@@H](NC(=O)CCc1ccncc1)c1cc(F)ccc1F 96419342 HDLHNNYXGGDSAP-MRXNPFEDSA-N 304.340 3.560 0 40 DHAB CC[C@@H](CNC(=O)c1c(C)noc1C)Oc1ccccc1Cl 96451813 OMOFHFJEACSBOT-LBPRGKRZSA-N 322.792 3.532 0 40 DHAB COCCC1(CNC(=O)Nc2ccc(SC)cc2)CCC1 96474122 FWFIWKHAXKIIHH-UHFFFAOYSA-N 308.447 3.737 0 40 DHAB C[C@H](NCC1(O)CCSCC1)c1ccc(-c2ccccc2)o1 97017000 HTWPGQWWNUWNOE-AWEZNQCLSA-N 317.454 3.855 0 40 DHAB CCOC(=O)[C@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 100940459 WHYIQHUTPUWFFS-OALUTQOASA-N 310.397 3.522 0 40 DHAB NC(=O)/C=C/c1cccc(OCc2ccc(F)cc2Cl)c1 216896056 CXCXDESSFKGGQU-QPJJXVBHSA-N 305.736 3.557 0 40 DHAB CC[C@H](C)CCOC(=O)c1snnc1-c1ccc(F)cc1 223841951 ONSSUHKXJVSLAH-JTQLQIEISA-N 308.378 3.937 0 40 DHAB COc1cccc(O[C@H](Cc2ccc(C)c(Cl)c2)C(=O)O)c1 225080415 NMDJCJINWHTJNO-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CCCNC(=O)c1ccc(Nc2ccc(OCC)cc2)c(N)c1 225431580 CWVWANSCQHBYSV-UHFFFAOYSA-N 313.401 3.551 0 40 DHAB Cc1cc(C(=O)NC[C@@H](O)c2csc3ccccc23)c(C)o1 225691826 HIMGCUIYGOQWGF-OAHLLOKOSA-N 315.394 3.575 0 40 DHAB C[C@H]1CC[C@@H]1COc1ccccc1I 242701696 WKLKLZKYRQIHCQ-VHSXEESVSA-N 302.155 3.716 0 40 DHAB c1ccc2c(C[C@@H]3CCN(CC4CCOCC4)C3)ccnc2c1 257250673 JNMVRZGCMRSOBY-KRWDZBQOSA-N 310.441 3.526 0 40 DHAB CC(C)(C)O[C@H](C(=O)NC/C=C/c1cccnc1)c1ccccc1 521394299 HVPJZTDCIUHSMP-LNENJAERSA-N 324.424 3.767 0 40 DHAB O=C(O)c1cc2cc(C(F)(F)F)ccc2nc1OCC1CC1 685937571 RXSLDYLNWKRDDR-UHFFFAOYSA-N 311.259 3.741 0 40 DHAB Cc1cnn(CC2CN(c3nc4ccc(Cl)cc4s3)C2)c1 1889166627 KRLBSLIYNXPMMK-UHFFFAOYSA-N 318.833 3.591 0 40 DHAB COc1ccccc1-c1nn(CNc2ccccc2)c(=S)o1 32011 CXRDMORNFCVVIW-UHFFFAOYSA-N 313.382 3.951 0 40 DHAB CCc1cc2c(=O)n(Cc3ccc(Cl)cc3)cnc2s1 148814 ZZCNPIYWJDKLFZ-UHFFFAOYSA-N 304.802 3.722 0 40 DHAB CCc1cc2c(Sc3nc(C)cc(C)n3)ncnc2s1 510249 SZMVHAGXVCVZOU-UHFFFAOYSA-N 302.428 3.812 0 40 DHAB CCc1ccc(NC(=O)/C=C/c2c(OC)cccc2OC)cc1 574328 BHFFQEHDYMKANW-OUKQBFOZSA-N 311.381 3.918 0 40 DHAB CCOC(=O)Cc1c(C)[nH]c2c(Br)cc(C)c(C)c12 1705022 LTEOTCIVEFGFMT-UHFFFAOYSA-N 324.218 3.961 0 40 DHAB CSc1ccc(Cl)c(C(=O)NCCOc2ccccc2)c1 2170945 JLPYUKIMHACLHB-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB CC(C)CC[C@@H](C[C@H](C)O)c1nnc(S)n1-c1ccccc1 2303649 UTESJULFGYSALG-KBPBESRZSA-N 319.474 3.847 0 40 DHAB C[C@H]1CCc2c(sc3ncn4nc(-c5cccnc5)nc4c23)C1 2324940 JHZAKFHDNWESRH-JTQLQIEISA-N 321.409 3.526 0 40 DHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)c(C)c1 2749923 UYHVEPQQIBBQHY-CQSZACIVSA-N 302.399 3.544 0 40 DHAB C[C@@]1(C(=O)OCC(=O)c2ccc(Cl)cc2)CC1(Cl)Cl 3265321 KSNLSUVLHKBVHL-LBPRGKRZSA-N 321.587 3.650 0 40 DHAB COc1ccccc1/C=C/c1nn2c(C(C)(C)C)nnc2s1 4487516 XHXNAQXLBJPVDL-MDZDMXLPSA-N 314.414 3.662 0 40 DHAB O=C(c1cccc(C(F)(F)F)c1)N1CCOc2ccccc21 4717184 UKPFQHKWBSDIFK-UHFFFAOYSA-N 307.271 3.745 0 40 DHAB CC[C@@H](C(=O)Nc1ccc(N(C)C(C)=O)cc1)c1ccccc1 5666296 UYUMYVFDJJDBHM-GOSISDBHSA-N 310.397 3.802 0 40 DHAB CCCOc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 5952122 ZDVGVZFSLHOLOO-IRXDYDNUSA-N 313.397 3.711 0 40 DHAB CC1CCC(NC(=O)CSc2nc3ccccc3o2)CC1 6060969 DRODYLOINBDWCJ-UHFFFAOYSA-N 304.415 3.615 0 40 DHAB CCCCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1OC 6308470 ZDZMGAYCSYVGQD-UHFFFAOYSA-N 316.357 3.669 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 6947485 JZKQSPKLMTWQKC-UHFFFAOYSA-N 321.380 3.995 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1 7242253 YMHLNQSGLOBFQJ-CYBMUJFWSA-N 322.408 3.817 0 40 DHAB O=C(CN1CCCCCCC1)Nc1ncc(Cl)cc1Cl 7582314 ZZQROAGBVGYMAV-UHFFFAOYSA-N 316.232 3.593 0 40 DHAB CCN(CC)CCCNc1cc(C)c2ccc(OC)cc2n1 7735884 AQGNZZGUUXLISM-UHFFFAOYSA-N 301.434 3.696 0 40 DHAB Cc1nc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2s1 7948999 WJBKPTZCFCYKJP-UHFFFAOYSA-N 308.366 3.733 0 40 DHAB O=C(O[C@@H]1CCCCC1=O)c1ccc(OCc2ccccc2)cc1 8036289 UWGBIGLSIPHRDI-LJQANCHMSA-N 324.376 3.934 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)OC(C)(C)C 8139906 ADAIJANJAPEOOX-UHFFFAOYSA-N 312.797 3.502 0 40 DHAB O=C1NC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1 9014291 OTCQXKFLHVBMBS-RIYZIHGNSA-N 317.175 3.911 0 40 DHAB CC(=O)Nc1ccc(N[C@H](C)c2nc(-c3ccccc3)no2)cc1 9157694 OUOSRMYSGIPROZ-GFCCVEGCSA-N 322.368 3.868 0 40 DHAB Cc1cccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)c1 9227238 DUQNGDOMEFCXFC-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB CC[C@@H](C)NC(=O)c1sc(COc2cccc(C)c2)nc1C 9251016 GKKOEKGWTABFSI-GFCCVEGCSA-N 318.442 3.867 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc3ccccc3o2)C1 10140969 AVADOSFEEMNSNO-JHJVBQTASA-N 318.442 3.813 0 40 DHAB CC(C)(C)C(=O)COC(=O)c1ccccc1NCc1ccco1 12556127 ZRXOMHQUJLVWKN-UHFFFAOYSA-N 315.369 3.664 0 40 DHAB Cc1nc(-c2cc(C(=O)Nc3cccc(F)c3)n(C)c2)cs1 12750076 FYZLGHNYVBQLCW-UHFFFAOYSA-N 315.373 3.848 0 40 DHAB O=C(Cc1cccc(CC(=O)c2ccccc2)n1)c1ccccc1 13223075 DUVHFBAETAJEBH-UHFFFAOYSA-N 315.372 3.932 0 40 DHAB COc1ccc([C@@](C)(O)c2cnc(C)n2Cc2ccccc2)cc1 13281783 KQLHVDIVHQSWPS-HXUWFJFHSA-N 322.408 3.504 0 40 DHAB Cc1ccccc1-c1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 13322579 DWKWOUORGYJLMO-OKILXGFUSA-N 302.443 3.728 0 40 DHAB COc1ccc(-n2nc(C)c3c2C[C@H](c2ccco2)CC3=O)cc1 14164224 MQQZZBDNVLUHII-ZDUSSCGKSA-N 322.364 3.695 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c1C 15366687 HFTHDKPTIDNIFV-AWEZNQCLSA-N 301.361 3.526 0 40 DHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F 16301212 HQULHFZUZDWNCY-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB Cc1c(C(=O)Nc2cccc(C(C)C)c2)cnn1-c1ccccn1 19910987 XKLQZPZMBNOTDK-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB O=C1COc2ccc(Cl)cc2N1Cc1ccc(Cl)cc1 19991499 QYJZHLDQWOMSTK-UHFFFAOYSA-N 308.164 3.919 0 40 DHAB CCC1=Nc2ccccc2NC(N)=C1c1ccc(OC)c(OC)c1 20635374 XFQXLZVKIQCHCG-UHFFFAOYSA-N 323.396 3.939 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)o1 21188357 YMDQUJHHIRTGPG-ZDUSSCGKSA-N 319.426 3.506 0 40 DHAB O=C(NC1CCCCC1)c1cccnc1NC1CCCCC1 22072952 VQUDXOBBSFKRLO-UHFFFAOYSA-N 301.434 3.889 0 40 DHAB CCc1oc2ccccc2c1/C=C/C(=O)N1C[C@@H](C)O[C@H](C)C1 22836060 DFCBNEHKZZXGQG-NPUYYSGSSA-N 313.397 3.644 0 40 DHAB Cc1ccc(CN(CCN(C)C)Cc2cccs2)cc1C 22914979 OAQJBMQRALQFMN-UHFFFAOYSA-N 302.487 3.929 0 40 DHAB Cc1noc(-c2ccc(C(=O)OCc3ccccc3F)cc2)n1 22977686 FJCOGGBNHKEUNT-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccccc32)cc1OC 24717778 YTQGNJREACYOPU-KRWDZBQOSA-N 322.408 3.615 0 40 DHAB CC[C@H](C)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24751456 VEXFCMPKPXUBCG-VIFPVBQESA-N 310.369 3.997 0 40 DHAB C[C@@H](C1CC1)n1nccc1NC(=O)COc1cccc(Cl)c1 27663984 DFNYSMWEORDMTP-NSHDSACASA-N 319.792 3.525 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)C1CCCCC1 30758955 YRZPZBSJSGQYFF-QGZVFWFLSA-N 305.418 3.644 0 40 DHAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 32832246 OUSMHXDHUARPMT-CYBMUJFWSA-N 314.385 3.654 0 40 DHAB C[C@H](CNCc1cccc(Cl)c1Cl)Oc1ccccn1 35287334 QLIXCNJLFQTWCT-LLVKDONJSA-N 311.212 3.946 0 40 DHAB C[C@H]1CCCN(C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)C1 36067876 CKEJEBVIPPRBQU-SJORKVTESA-N 314.473 3.791 0 40 DHAB Cc1ccc(-c2csc(=S)n2CC(=O)NCC2CC2)cc1 36803128 XMJDCFLAICQQQJ-UHFFFAOYSA-N 318.467 3.781 0 40 DHAB Cn1c(C(=O)NCc2cccs2)c(Cl)c2ccccc21 40144246 FELSEZCFHUQMGM-UHFFFAOYSA-N 304.802 3.823 0 40 DHAB Brc1ccc(CNCc2nc3ccccc3[nH]2)cc1 48409069 PYTPZBYPZLIEOE-UHFFFAOYSA-N 316.202 3.615 0 40 DHAB COCc1ccccc1NCC(=O)Nc1ccc(C)cc1Cl 55849102 PQVILFYWXYSLTQ-UHFFFAOYSA-N 318.804 3.845 0 40 DHAB CCSc1nnc(SCc2cccnc2Cl)s1 58200902 BFLNMAQRIBIZNI-UHFFFAOYSA-N 303.865 3.991 0 40 DHAB CCc1nc(C[S@](=O)Cc2ccc(Cl)s2)cs1 64823773 VPDSOBLWXUYGCQ-QGZVFWFLSA-N 305.877 3.869 0 40 DHAB COc1c(CN[C@H](C)c2cc(C)oc2C)c(C(C)C)nn1C 65475373 FSAMYFIORDDHHE-GFCCVEGCSA-N 305.422 3.613 0 40 DHAB O=C1CCc2cc(NC(=O)c3cc(Cl)ccc3F)ccc2N1 65562302 LBGZLKYFODHPFT-UHFFFAOYSA-N 318.735 3.616 0 40 DHAB C[C@H]1CCC[C@](O)(CNC(=O)Nc2cccc3ccccc23)C1 65566560 AQRGVGSAODSYOV-IFXJQAMLSA-N 312.413 3.903 0 40 DHAB CCc1nc2cc(N[C@@H]3CCN(c4ccccc4)C3=O)ccc2o1 68948110 OIQFXANAUWXHNQ-OAHLLOKOSA-N 321.380 3.608 0 40 DHAB O=C(CCc1ccccc1)NC[C@H](O)c1cccc2ccccc12 70635946 GDNZDBPFULSDLM-FQEVSTJZSA-N 319.404 3.622 0 40 DHAB COc1ccc(Cl)cc1CSc1nnnn1C1CCCC1 72296308 UADFPQYOYMGVMZ-UHFFFAOYSA-N 324.837 3.743 0 40 DHAB CCOc1c(Cl)cccc1NCc1cn2ccccc2n1 72312468 CCQOGRPEXLDUKS-UHFFFAOYSA-N 301.777 3.999 0 40 DHAB CC(C)Oc1ccc([C@@H](O)CNCc2ccc(F)c(F)c2)cc1 76016703 JDXJURDSNSODOB-SFHVURJKSA-N 321.367 3.575 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)OCc2nc(C(C)(C)C)no2)C1(C)C 84671206 RSEWSAMISPPMLN-AAEUAGOBSA-N 306.406 3.649 0 40 DHAB COc1cc(F)c(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1F 89420800 ANFYUCZNGVZKMP-YGRLFVJLSA-N 310.344 3.770 0 40 DHAB CSC[C@H]1CCCN1Cc1cnc(-c2cccnc2)s1 93760843 NDDWGIIPGQRKPS-CYBMUJFWSA-N 305.472 3.533 0 40 DHAB Cc1cc(C)cc([C@@H](N[C@H](C)c2cnn(C)c2)c2cccnc2)c1 95422187 TZBXRSCTSFHMFZ-UZLBHIALSA-N 320.440 3.872 0 40 DHAB CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@H]1O 95466994 PSHGUWGZZOTJNZ-ZIAGYGMSSA-N 310.825 3.601 0 40 DHAB Cc1ccc(O)c(C(=O)CC(=O)c2ccccc2OC(C)C)c1 100474611 ZZIMWUHCLFWAHE-UHFFFAOYSA-N 312.365 3.944 0 40 DHAB biogenic C[C@@H]1C[C@@H](C)CN(C[C@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)C1 100831826 BGMMDRMBSMZBJT-YYCWZVFASA-N 323.521 3.557 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104803823 FPZOOMMOUIQVJK-FZCLSBEQSA-N 313.441 3.899 0 40 DHAB C[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2ccnc2)cc1 104816833 CMQNREIZXHEGOQ-MXSMSXNCSA-N 323.440 3.876 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)Cc1ccc(Cl)cc1F 223088375 RMWDDRZQPIXCKO-NSHDSACASA-N 321.779 3.908 0 40 DHAB CCCSc1nnc(NC(=O)Cc2ccc(C)c(C)c2)s1 225115813 WWWCHTRLTRKEEX-UHFFFAOYSA-N 321.471 3.838 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cn1 225882951 PVADYXIZHFZNEW-KRWDZBQOSA-N 308.422 3.650 0 40 DHAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1nnccc1Cl 256051982 LKFBRCGBWCEOGM-CQSZACIVSA-N 317.776 3.604 0 40 DHAB Cc1cnc([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)s1 257214649 CMUOTIYYMHBGFW-GFCCVEGCSA-N 319.430 3.583 0 40 DHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccs2)S1 260769131 KGIPBQCACLWJFH-LERXQTSPSA-N 301.440 3.732 0 40 DHAB FCc1cccc(I)c1Br 1504206550 WTZVEXHBLXARTR-UHFFFAOYSA-N 314.923 3.523 0 40 DHAB Cc1cccc(N2CCC[C@@H](COc3ncccc3Cl)C2)n1 2298192534 GNXBBOQNWGGTHG-CQSZACIVSA-N 317.820 3.734 0 40 DHAB O=C(COc1ccccc1)Nc1nc2c(Cl)cccc2s1 558614 OKMQLXADCBAERK-UHFFFAOYSA-N 318.785 3.967 0 40 DHAB Cc1cc(C)c(S(=O)(=O)c2ccccc2Cl)c(Cl)n1 1382162 VZEHWEXZTGVCKD-UHFFFAOYSA-N 316.209 3.838 0 40 DHAB Cc1ccc(OCCCC(=O)Nc2nc(C)c(C)s2)cc1 1903845 WWTMJGISOQCDSL-UHFFFAOYSA-N 304.415 3.866 0 40 DHAB CC(=O)c1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1 2419465 NXWKJCKQHMPKEF-UHFFFAOYSA-N 321.380 3.735 0 40 DHAB COc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)cc1 3510659 XSHKYGCMQSGUIT-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB COc1cccc(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 3549545 ORCSRGIBRDVRME-UHFFFAOYSA-N 309.287 3.895 0 40 DHAB O=Cc1cccn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 4088739 UYJGQZLBAZZPHL-UHFFFAOYSA-N 323.299 3.827 0 40 DHAB Cc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1F 4163718 FJEDGBUDMJQXSU-UHFFFAOYSA-N 310.328 3.745 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)C1 4183209 SLJQCXKWMCDIOX-QXDIGNSFSA-N 311.510 3.557 0 40 DHAB Cc1cc(NC(=O)CC(C)(C)C)ccc1N1CCCCC1=O 5441309 AOZJBIPBDZGFAQ-UHFFFAOYSA-N 302.418 3.887 0 40 DHAB COC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 6288508 GQUXWIOGQAXWDN-UHFFFAOYSA-N 320.801 3.936 0 40 DHAB CCC[C@H](C)NC(=S)Nc1ccc(Br)cc1 6629742 NAFHGELSRRHOKK-VIFPVBQESA-N 301.253 3.924 0 40 DHAB O=C(NCc1ccccn1)c1ccc(-c2ccccc2Cl)o1 7847749 WUNIULBFZQTQDM-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB COc1cc2c(cc1NC(=O)CSC)oc1ccccc12 7971199 HUKMQPROEIURSL-UHFFFAOYSA-N 301.367 3.896 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2O)c1 8215307 KNQVALGGSWGZCU-NSHDSACASA-N 305.761 3.760 0 40 DHAB COc1ccc(CCC(=O)Nc2cccc3cccnc23)cc1 8748979 RAAKCTNIGKXGQB-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 9270005 DCUPDPBOZCBVDX-RCBQFDQVSA-N 319.401 3.693 0 40 DHAB Cc1csc(NC(=O)NCCCSc2ccccc2)n1 10220874 HLNGUWUZYQEVNR-UHFFFAOYSA-N 307.444 3.755 0 40 DHAB Cc1ccc2oc(C(=O)N[C@@H]3CCc4ccccc43)cc(=O)c2c1 10960369 NAKDAWCGLOQNGP-MRXNPFEDSA-N 319.360 3.519 0 40 DHAB COc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C 11058629 OOYDKMKEOITCCY-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CC=CCC1 11418621 IZRNVIQVEKPIRN-LBPRGKRZSA-N 318.804 3.762 0 40 DHAB C[C@H](Oc1ccc(C(C)(C)C)cc1Br)C(=O)O 11798717 KXIHIHBOOAAHCY-QMMMGPOBSA-N 301.180 3.599 0 40 DHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccnc1 12625235 KXNKJMMPVPUSFI-UHFFFAOYSA-N 322.339 3.943 0 40 DHAB O=C(CSCc1ccccc1)NCCc1c[nH]c2ccccc12 15403953 GMMISAWJIROHCI-UHFFFAOYSA-N 324.449 3.760 0 40 DHAB CCN1C(=O)Cc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 17288890 RDEIQNWGOJTRSX-UHFFFAOYSA-N 314.772 3.501 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 24976691 WXWSLGLLFPDHAM-CQSZACIVSA-N 324.424 3.931 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2cccs2)N2CCCC2)cc1 27794357 CAVBGLFXHSEFMB-MRXNPFEDSA-N 314.454 3.623 0 40 DHAB C[C@@H](Sc1ccccc1)C(=O)NCCOc1ccc(F)cc1 30132590 VAIIFMMUFUZSLQ-CYBMUJFWSA-N 319.401 3.502 0 40 DHAB O=C(c1cccc(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 32901933 OQSYEGCOZHDNKZ-UHFFFAOYSA-N 321.355 3.632 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(F)(F)F)C2)cc1 34872646 IFUGPBBKKTUWFO-STQMWFEESA-N 314.351 3.596 0 40 DHAB COc1ccc2c(c1)[C@H](C)N1C(=O)c3cc(Cl)ccc3[C@H]1O2 35324792 KDBATVNHYJHSPM-HUTHGQBESA-N 315.756 3.957 0 40 DHAB Cc1ccc(CNC(=O)NCc2ncc(-c3ccccc3)o2)cc1 40119885 WTYGJRLHMDHZBY-UHFFFAOYSA-N 321.380 3.649 0 40 DHAB CSc1ccc(CN(C)C(=O)Cc2ccccc2F)cc1 40159576 JOMKQAPLKPVSQW-UHFFFAOYSA-N 303.402 3.749 0 40 DHAB CC[C@@H](C)c1noc([C@@H]2CCCCN2C(=O)c2ccco2)n1 41123371 BQSARCMYWLPKSI-NEPJUHHUSA-N 303.362 3.544 0 40 DHAB O=C(c1cccc2c(Br)cccc12)N1CCCC1 41127282 MJSGXLAIHYGXHA-UHFFFAOYSA-N 304.187 3.838 0 40 DHAB O[C@H](CN1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 42132468 SIQVXMWPENGURW-FUHWJXTLSA-N 322.408 3.741 0 40 DHAB COCc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 46032201 QIMXIYFUHKLUIQ-UHFFFAOYSA-N 323.396 3.679 0 40 DHAB C[C@H]1CCCCN1CCCCNC(=O)c1cc2ccccc2o1 46989071 HALPRJPBSKNXNE-HNNXBMFYSA-N 314.429 3.817 0 40 DHAB COc1cc(C(=O)N2CCCCCCC2)ccc1OC(C)C 49950451 JHOYJHYPXHAQIC-UHFFFAOYSA-N 305.418 3.889 0 40 DHAB CN(Cc1ccccc1)Cn1nc(NC(C)(C)C)sc1=S 57286230 SAJPJCJLOQYQFO-UHFFFAOYSA-N 322.503 3.974 0 40 DHAB C[C@H]1CCCCN1Cn1nc(COc2ccccc2)oc1=S 59484593 BIAIHEFHPTUILN-ZDUSSCGKSA-N 319.430 3.616 0 40 DHAB Cc1cccnc1NC(=O)c1cc(C(C)C)nn1-c1ccccc1 61720426 AOVUOFHXSYQKQX-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB Fc1ccc([C@@H]2NCCc3nc[nH]c32)cc1Oc1ccccc1 66088631 SESTWVZDZQMAQW-KRWDZBQOSA-N 309.344 3.576 0 40 DHAB CN(Cc1csc2ccccc12)C(=O)Cc1ccccc1O 69493834 MZCMTPTYNJOSOK-UHFFFAOYSA-N 311.406 3.808 0 40 DHAB CCN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214335 RPINRFQTDFVSEE-AWEZNQCLSA-N 305.422 3.976 0 40 DHAB O=C([C@H](F)C(F)(F)ONc1cccc(Cl)c1)C(F)(F)F 72265889 XSPJXIGMHDOVEW-ZETCQYMHSA-N 321.604 3.746 0 40 DHAB Cc1nc(CN(CCCO)[C@@H]2CCCc3ccccc32)oc1C 81535895 RFTXWNLEURNWQW-GOSISDBHSA-N 314.429 3.553 0 40 DHAB O=C(NC1CCCCCCC1)C1=NO[C@@H](c2ccccc2)C1 84525311 NHDYFAJTTMFEMZ-QGZVFWFLSA-N 300.402 3.733 0 40 DHAB Fc1ccc(NCc2ccccn2)c(OCC(F)(F)F)c1 89793418 IAGLREFARQAHLJ-UHFFFAOYSA-N 300.255 3.774 0 40 DHAB c1cc(CN2CCC(OCC3CCCC3)CC2)c2c(c1)OCO2 93818281 PQQYKVOPOZOGTC-UHFFFAOYSA-N 317.429 3.587 0 40 DHAB C[C@@H](NC[C@@]1(O)CCSC1)c1ccc(SC(F)F)cc1 95423581 NMHVTMVTORETAE-YGRLFVJLSA-N 319.442 3.520 0 40 DHAB CC(C)(C)[C@H](CCO)NCc1ccc(SC(F)F)cc1 95940570 GTIJEWBDIFSRSJ-ZDUSSCGKSA-N 303.418 3.888 0 40 DHAB O=C(NCc1cccs1)Nc1ccc2[nH]c(C(F)F)nc2c1 95977138 NTVXDOOSJJUMRL-UHFFFAOYSA-N 322.340 3.884 0 40 DHAB CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccc(Cl)cc1 96191637 VYYYKDDUWOFAGZ-HNNXBMFYSA-N 302.761 3.939 0 40 DHAB CC[C@@](CNC(=O)c1cc2ccccc2[nH]1)(OC)c1ccccc1 96391589 DOAZKNPYEGYOSQ-FQEVSTJZSA-N 322.408 3.850 0 40 DHAB Cn1cc(CNCc2nccs2)c(-c2cc3ccccc3o2)n1 97159974 HLKSJMLLEYJKQY-UHFFFAOYSA-N 324.409 3.580 0 40 DHAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)C1CC1 97372412 LZYILCQQIVOTQQ-QGHHPUGFSA-N 315.392 3.537 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccnc2ccccc12 100189423 JFJSCFXWVWMKMH-FOIQADDNSA-N 316.408 3.595 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1C 113960064 WKJOXELSBTUCDB-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB COc1ccc(/C=C/C(=O)NC(C)(C)Cc2ccccc2)cc1 224523807 FPPDXUKTZQSCDU-SDNWHVSQSA-N 309.409 3.846 0 40 DHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1 224579931 UWQYEODISKKTOI-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB CCCOCc1cc(C(=O)NCc2ccco2)ccc1OCC 224703811 OWAGZSZMKBEEEQ-UHFFFAOYSA-N 317.385 3.535 0 40 DHAB CCOc1cc(Br)cc(C=O)c1OCC(C)C 225274914 NNBPRIILNQZHEK-UHFFFAOYSA-N 301.180 3.695 0 40 DHAB Cc1ccccc1CSCCNC(=S)Nc1cccnc1 225363013 XHEOOHIOLUBZMP-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(F)cc1F 225782705 LWCAIPJOBNIMPU-NSHDSACASA-N 322.380 3.719 0 40 DHAB Cc1nc(Nc2cccc(C3CCN(C)CC3)n2)sc1C 257273226 NFTHOINYNSSURA-UHFFFAOYSA-N 302.447 3.708 0 40 DHAB COc1cccc2c1[C@@H](C(=O)Nc1cncc3ccccc13)CC2 560339828 JIBYUPIWPAMZQX-INIZCTEOSA-N 318.376 3.912 0 40 DHAB CCCc1nnc(SCc2cnc(OC)c3ccccc23)o1 585138170 SNNMIMZRSDMCGW-UHFFFAOYSA-N 315.398 3.871 0 40 DHAB C[C@H](C(=O)Nc1ccc2c(c1)SCC(=O)N2)c1ccsc1 1597549975 FXKMUTSHHFELQC-VIFPVBQESA-N 318.423 3.535 0 40 DHAB CCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 190323 GZXZKZQZEDCIFL-UHFFFAOYSA-N 315.442 3.975 0 40 DHAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccs3)NC(=O)CN21 539690 IEVWWYRNZVFXBW-CSHXORCISA-N 324.449 3.694 0 40 DHAB O=C(Oc1ccccc1/C=C/[n+]1ccccc1)c1ccccc1 1609524 MDCQOXGDISLNOT-DTQAZKPQSA-N 302.353 3.821 0 40 DHAB Cc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2CCCC3)cc1 2966181 MWCZEYZASIVZTH-OAQYLSRUSA-N 321.444 3.564 0 40 DHAB Cc1cc(OCC(=O)NCc2cccs2)ccc1C(C)C 5617194 QUXXRQMUMYHDIU-UHFFFAOYSA-N 303.427 3.875 0 40 DHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccccn4)cc3c2C1 5689413 KJLXTCFCSJAXJY-CYBMUJFWSA-N 319.408 3.618 0 40 DHAB Cc1nc(CC(=O)Nc2ccc(OCC(C)C)cc2)cs1 7996381 DQOHLXHYFSKDNR-UHFFFAOYSA-N 304.415 3.668 0 40 DHAB CC(C)Cc1nnc(NC(=O)c2ccc3ncsc3c2)s1 8036279 VMBVEXHWQNSYRS-UHFFFAOYSA-N 318.427 3.599 0 40 DHAB Cc1nc(-c2cccc(NC(=O)c3c(C)noc3C)c2)cs1 8745202 ZJGMOQQUOSMAMW-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB COc1cc(OC)c(NC(=O)/C=C/c2ccc(C)o2)cc1Cl 8751691 PBHBZHYBLDDMKI-VOTSOKGWSA-N 321.760 3.911 0 40 DHAB CCCCOc1cccc(C(=O)Nc2onc3c2CCCC3)c1 8976592 AQHMLPDGUXMEHN-UHFFFAOYSA-N 314.385 3.985 0 40 DHAB CNc1nnc(SCc2cccc(C(F)(F)F)c2)s1 8984464 GIAOQBKEFNOGIS-UHFFFAOYSA-N 305.350 3.891 0 40 DHAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 9467711 QWUMWIPWGCSAET-NSHDSACASA-N 313.788 3.636 0 40 DHAB Cc1csc(NC(=O)c2cc(F)ccc2Br)n1 10555310 RJNNGJWXBKSVHA-UHFFFAOYSA-N 315.167 3.605 0 40 DHAB Cc1cnc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)s1 10557026 QBNXWKSEEIZZHN-UHFFFAOYSA-N 316.411 3.552 0 40 DHAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)CC(=O)N2 10826307 HQKUXPNEXDAWLD-UHFFFAOYSA-N 316.360 3.516 0 40 DHAB CCOc1ccccc1NC(=O)c1cc2c(C)nn(C)c2s1 11467019 LCZNXTQCECPBCR-UHFFFAOYSA-N 315.398 3.594 0 40 DHAB COc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 12111348 DYBUZWRBTHXIRC-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB CC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2 12461782 XYFNWTCUGJTICR-CYBMUJFWSA-N 311.381 3.638 0 40 DHAB COc1ccc(NC(=O)/C=C(\C)N[C@@H]2CCCC[C@H]2C)cc1 12627572 OSTBZBOZKDCOFF-GZVBCTEOSA-N 302.418 3.706 0 40 DHAB Cc1cc(C)cc(CSCCC(=O)Nc2cc(C)on2)c1 12919414 ULZQFPZOCYBWHQ-UHFFFAOYSA-N 304.415 3.862 0 40 DHAB CCc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)o2)cc1 14111308 MOYBUURJUPOXAB-UHFFFAOYSA-N 313.382 3.602 0 40 DHAB CCc1cccc(NC(=O)CCc2nc(-c3ccccc3)no2)c1 14202402 WRJZJJDBZIDAOK-UHFFFAOYSA-N 321.380 3.870 0 40 DHAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1cccc(Cl)c1 19712366 DHKDMJQOMGTEQK-ZWKOTPCHSA-N 320.864 3.705 0 40 DHAB Clc1ccc2nc(-c3ccccc3)c(Br)n2n1 22115766 HCHKMKGRDUJJEU-UHFFFAOYSA-N 308.566 3.812 0 40 DHAB Cc1nn(C)c2ncc(C(=O)Nc3ccc4ccccc4c3)cc12 23703126 KKCNLAMVMWSIDH-UHFFFAOYSA-N 316.364 3.682 0 40 DHAB Cc1ccc(CCC(=O)N[C@H](C)c2ccccn2)cc1Cl 25405827 YWZUEMPXOXITRW-CYBMUJFWSA-N 302.805 3.853 0 40 DHAB CC(C)c1nnc(NC(=O)CCn2ccc3ccccc32)s1 26600721 HFYKAKYBUYKNSC-UHFFFAOYSA-N 314.414 3.645 0 40 DHAB COc1ccc(Cn2nccc2NC(=O)c2ccccc2C)cc1 28293274 ZJYJLTGXZWWQOE-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB O=C(CCc1ccccc1Cl)Nc1ccc2c(c1)OCO2 29688091 WVKYWYBEPKDPEX-UHFFFAOYSA-N 303.745 3.640 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccccc1 30750842 RKLMOVQQPPAMDZ-KDOFPFPSSA-N 313.397 3.730 0 40 DHAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2Cl)cc1 30848435 HHNGJKFBMQOXFR-ZDUSSCGKSA-N 303.789 3.905 0 40 DHAB Cn1cnc2c(oc3nc(C4CCCCC4)c4c(c32)CCC4)c1=O 32105648 VEASJPUQKXHPKX-UHFFFAOYSA-N 323.396 3.611 0 40 DHAB CCC[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 33028945 IHXACGYPPGLOPZ-VQTJNVASSA-N 324.468 3.989 0 40 DHAB Cc1ccc(C(=O)c2cccc(I)c2)cc1 34976808 QILHVHXXKMPMAD-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB O=C(Nc1nnc(-c2cccs2)o1)c1c[nH]c2ccccc12 38575552 LKLFJWDMYDPXIJ-UHFFFAOYSA-N 310.338 3.532 0 40 DHAB CN(C)c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cn1 44951571 RAEVOSJIFMMDLE-CYBMUJFWSA-N 316.430 3.578 0 40 DHAB CCCNC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58245838 AIRQHSBPTGNCLA-UHFFFAOYSA-N 321.396 3.876 0 40 DHAB COc1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1Cl 64472996 PGMZVXKAOSQPRH-UHFFFAOYSA-N 319.792 3.823 0 40 DHAB CC(=O)c1cc(Cl)ccc1OCc1nnsc1Cl 65553751 MFKUTPOFRBNAOX-UHFFFAOYSA-N 303.170 3.627 0 40 DHAB Cc1oc(-c2ccsc2)nc1CC(=O)NC[C@H]1CC=CCC1 69702390 DPOIHGYXMRGENV-ZDUSSCGKSA-N 316.426 3.727 0 40 DHAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)CCC(=O)N2C)cc1 72239410 QQWRVHGCQRAGPU-PKOBYXMFSA-N 322.408 3.543 0 40 DHAB CC(C)c1nc([C@@H]2CCCN(c3ncnc4ccccc34)C2)no1 72279259 NRQMJPSQYPPPCY-CYBMUJFWSA-N 323.400 3.520 0 40 DHAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CC2(O)CCCC2)o1 74194643 VJCRHAZHDMMQTH-GOEBONIOSA-N 319.445 3.837 0 40 DHAB CC(=O)Nc1nc(CNc2cc(F)c(F)cc2Cl)cs1 75092090 MRZLEFUTOBVTET-UHFFFAOYSA-N 317.748 3.645 0 40 DHAB COc1cc(C)c(CN[C@H](C)c2nc(C)cs2)cc1OC 83454991 RSRRYQAFOTYSAA-GFCCVEGCSA-N 306.431 3.628 0 40 DHAB COc1cccc([C@@H](C)Sc2ccccc2S(C)(=O)=O)c1 83597136 QPBUOHHWRLPYMP-GFCCVEGCSA-N 322.451 3.952 0 40 DHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1sccc1C1CC1 84403149 ROHOLCTVFAARRB-UHFFFAOYSA-N 323.421 3.741 0 40 DHAB CC[C@H](NCc1cc[nH]c1)[C@H](O)c1ccc(C(F)(F)F)cc1 86254341 KWSDZVXVSHIWKR-LSDHHAIUSA-N 312.335 3.635 0 40 DHAB Cc1cccc2nc(CN[C@@H](C)c3ccccc3N(C)C)cn12 93944971 HAEVTNIVTZGBKM-HNNXBMFYSA-N 308.429 3.560 0 40 DHAB C[C@H](Cc1ccsc1)NCc1nc(C(F)(F)F)cs1 95423002 JHRXELVACVQMQC-MRVPVSSYSA-N 306.378 3.944 0 40 DHAB O[C@@H]1CCCC[C@H]1Oc1ccc(NC2CCSCC2)cc1 95964701 XPZSHSSXYMNETI-IAGOWNOFSA-N 307.459 3.676 0 40 DHAB CN(Cc1nc(Cl)ccc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 96012994 FAXDSRUDOPEUIA-FZZIBODNSA-N 315.244 3.634 0 40 DHAB CN(Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccco1)CC2 96051544 BOSOMMKZXZCNGS-GOSISDBHSA-N 314.429 3.749 0 40 DHAB O=C(CCn1ncc2ccc(Cl)cc21)Nc1cccc(F)c1 96182384 MKXOJJXPMMMKOL-UHFFFAOYSA-N 317.751 3.858 0 40 DHAB CO[C@@H](C)c1cccc(NC(=O)NCCc2ncc(C)s2)c1 96434550 IUMYQTXGOVJUMU-LBPRGKRZSA-N 319.430 3.523 0 40 DHAB O=C(/C=C/c1ccco1)N1CCS[C@H](c2ccccc2)CC1 211139119 DADGWFMITUNLHP-IJDCCNJMSA-N 313.422 4.000 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1C 223557342 NKEMALUTEHYPDY-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1cc(F)ccc1OC 223691157 VBBZAHLMANJAFQ-UHFFFAOYSA-N 323.389 3.506 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc2c1CCCC2 225358739 NFFFLBFUJOZARG-OAHLLOKOSA-N 321.420 3.922 0 40 DHAB O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)C(F)(F)F 226271055 QDZLMOGXMJUGRE-UHFFFAOYSA-N 320.270 3.919 0 40 DHAB Cc1cc(N)cc(Br)c1NC(=O)c1cccs1 226756027 ADDCSLMMOYKIIB-UHFFFAOYSA-N 311.204 3.654 0 40 DHAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc(C)c1C)C2 409196938 SRUJXEWMMREYLM-UHFFFAOYSA-N 308.425 3.875 0 40 DHAB Brc1ccc(-c2n[nH]c(Cc3ccccc3)n2)cc1 642882647 YPJBPCLCSRRLMO-UHFFFAOYSA-N 314.186 3.825 0 40 DHAB COc1ccc2sc(N3CC[C@H](c4ccccn4)C3)nc2c1 2298085414 XMTNVBYNACNVPB-LBPRGKRZSA-N 311.410 3.694 0 40 DHAB COc1ccc(C)cc1NS(=O)(=O)c1c(C)cc(C)cc1C 303879 VOOMJEASSKDLNP-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1O 365448 OQELNTUKTOTURB-UHFFFAOYSA-N 319.426 3.799 0 40 DHAB CN(C(=O)c1ccco1)c1nc(-c2ccc(F)cc2)cs1 411094 HKTGZNVGFKXQQA-UHFFFAOYSA-N 302.330 3.819 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1cccc2ccccc12 411592 OEZLVWLGAWCHBW-UHFFFAOYSA-N 301.349 3.828 0 40 DHAB O=c1sc2ccccc2n1Cn1c(=S)oc2ccccc21 495408 RVJNKQCHUXTJHJ-UHFFFAOYSA-N 314.391 3.846 0 40 DHAB O=C1[C@@H]2CC=C(Cl)C[C@@H]2[C@H]2c3[nH]c4ccccc4c3CCN12 518504 CQKQDDPDUJFJHB-KEYYUXOJSA-N 312.800 3.756 0 40 DHAB biogenic COc1cccc([C@@H]2CCCC[C@H]2SCC(=O)O)c1OC 1592190 DHPFBNZORFLLJT-SMDDNHRTSA-N 310.415 3.548 0 40 DHAB CC[C@H](C(=O)c1cccs1)C(O)(C(F)(F)F)C(F)(F)F 1623621 NYGZGAZDWNXLMT-ZCFIWIBFSA-N 320.254 3.813 0 40 DHAB in-vitro Cc1cccc(C(=O)OCc2ccccc2CN2CCCC2)c1 1716173 RPPCGZNSPGLMFA-UHFFFAOYSA-N 309.409 3.948 0 40 DHAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)c1ccccc1 3220200 TXKOYTOUTJTWAW-UHFFFAOYSA-N 322.360 3.926 0 40 DHAB CN(C)c1cccc(C(=O)OCc2c(F)cccc2Cl)c1 3342333 FGPQZDULPFKMSJ-UHFFFAOYSA-N 307.752 3.902 0 40 DHAB Cc1ccccc1C(=O)OCC(=O)Nc1cccc2ccccc12 3487320 GWZZGYKESHTUCR-UHFFFAOYSA-N 319.360 3.944 0 40 DHAB Cc1c(Cl)cccc1-n1c(=O)oc2ccc(Cl)cc2c1=O 4702731 XYCDPMMFNMEJFV-UHFFFAOYSA-N 322.147 3.559 0 40 DHAB Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(Cc2ccccc2)C(=O)N1 4852927 JXRHYNULHVDFOW-VQIMIIECSA-N 308.381 3.760 0 40 DHAB C[C@@H](SC(=S)N1CCCC1)C(=O)c1c[nH]c2ccccc12 5287053 NAKHMNSHTUBPND-LLVKDONJSA-N 318.467 3.853 0 40 DHAB Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)CCC2 5610957 SFRPHFRLKBHNNX-UHFFFAOYSA-N 316.426 3.652 0 40 DHAB C[C@H]1C[C@@H](OC[C@H](O)CN(C)C2CCCCC2)CC(C)(C)C1 6008113 SVDPJYRFEFQLLO-CGTJXYLNSA-N 311.510 3.843 0 40 DHAB CCOc1ccc(OC[C@@H](O)CN[C@H](C)CCCC(C)C)cc1 6935701 UYGDJVDSLOZSTR-SJORKVTESA-N 323.477 3.629 0 40 DHAB CC[C@@H](NC(=O)COc1cccc(F)c1)c1ccc(C)cc1 7792596 HULKVTIGSSUSCZ-QGZVFWFLSA-N 301.361 3.780 0 40 DHAB O=C(CCn1ccc2ccccc21)NCCSc1ccccc1 8173985 UFIDIODLXDIBPK-UHFFFAOYSA-N 324.449 3.940 0 40 DHAB COc1ccccc1CCNC(=O)Cc1coc2cc(C)ccc12 8985100 MNQCOKSHQDOXOV-UHFFFAOYSA-N 323.392 3.651 0 40 DHAB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1nc2ccccc2[nH]1 12539757 LLJKMZFSGXRZLM-VIFPVBQESA-N 317.751 3.846 0 40 DHAB COc1ccc(-c2nnc3sc(-c4ccsc4)nn23)cc1 13719975 WXUIOQSEXWIFBP-UHFFFAOYSA-N 314.395 3.590 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(F)c1 14199702 SOYQWJFSQDDMMB-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB COC(=O)c1ccc(C(=O)Oc2ccc3ccccc3c2)cc1 14861591 SZPABDSQMLEBQL-UHFFFAOYSA-N 306.317 3.846 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)C1CCCCC1 17356999 DTUTUZCHBAOXKD-UHFFFAOYSA-N 315.442 3.918 0 40 DHAB O=C(NCc1ccco1)N(Cc1ccco1)Cc1cccs1 17698067 JFWAKHXMLHEAMQ-UHFFFAOYSA-N 316.382 3.846 0 40 DHAB Cc1ccc(NC(=O)c2ccc(C)c(N)c2)c(Br)c1 19281831 NYQGUSVBVBIDNX-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Fc1ccc(CCNCc2ccc(Br)cc2)cc1 19815249 YWIAFEAFHLWAOT-UHFFFAOYSA-N 308.194 3.921 0 40 DHAB CC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 21596492 PHPHCVLNCQULDG-UHFFFAOYSA-N 320.801 3.965 0 40 DHAB Cc1cccc(-n2ncc(C(=O)NC3CCCCCC3)c2C)c1 24833148 FIFPIEUITIZWSJ-UHFFFAOYSA-N 311.429 3.942 0 40 DHAB C[C@H](C1CC1)n1nccc1NC(=O)COc1cccc(Cl)c1 27663985 DFNYSMWEORDMTP-LLVKDONJSA-N 319.792 3.525 0 40 DHAB Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1-n1cccc1 32931939 YTPSGFDZNFQUKJ-UHFFFAOYSA-N 316.364 3.914 0 40 DHAB O=C(Nc1ccccn1)c1cc2occc2n1Cc1ccccc1 36353050 MSKVWCMODCFSBR-UHFFFAOYSA-N 317.348 3.930 0 40 DHAB C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1ccccc1 36398290 OFISFXLMPFQBOE-LLVKDONJSA-N 308.834 3.656 0 40 DHAB Cc1nnc(NNc2nnc(C)c3ccccc23)c2ccccc12 39233944 OVUUVPDVXXNELS-UHFFFAOYSA-N 316.368 3.629 0 40 DHAB Cc1ccc(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)o1 40082406 SHLNXFIMKMPWQD-UHFFFAOYSA-N 301.323 3.753 0 40 DHAB O=C(Nc1nc(-c2ccco2)cs1)c1ccnc(Cl)c1 40111402 MASDPERWLGIXAI-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB Cc1csc(NC(=O)Cn2ccc3c(Cl)cccc32)n1 40287073 GMSIKDJFHPQVRP-UHFFFAOYSA-N 305.790 3.698 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1Cl 44881026 DMBLVMVKMRVJGF-INIZCTEOSA-N 321.779 3.953 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1c1ccsc1 46088667 HZCNSHWYHFMTNK-IIAWOOMASA-N 306.475 3.675 0 40 DHAB O=C1c2ccccc2N[C@H](c2cccs2)N1c1ccncc1 54702526 NHMIZAAXGVWYQC-INIZCTEOSA-N 307.378 3.914 0 40 DHAB c1ccc(-n2cc(CCNc3ncnc4sccc34)cn2)cc1 55043916 YHQLARFATOOTFG-UHFFFAOYSA-N 321.409 3.532 0 40 DHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C)nn1C 58924317 YAKUJQDOSZNSOC-IAGOWNOFSA-N 311.429 3.527 0 40 DHAB Cc1ncsc1C(=O)Nc1ccccc1NCC(F)(F)F 66050477 OGKLGXPVNSDTJS-UHFFFAOYSA-N 315.320 3.678 0 40 DHAB O=C1C[C@@H](C(F)(F)F)c2cnn(-c3ccc(Cl)cc3)c2N1 66087669 ZEXKAXYUGOXLOO-SNVBAGLBSA-N 315.682 3.514 0 40 DHAB CCOc1ccc2ccccc2c1CNC[C@@H](C)Cn1ccnc1 67500808 AJDANUZZLQXYLE-MRXNPFEDSA-N 323.440 3.861 0 40 DHAB Cc1cc(Br)oc1C(=O)N(C)[C@@H](C)c1cccnc1 68172908 HQWKCHZHQVITEJ-JTQLQIEISA-N 323.190 3.579 0 40 DHAB Cc1cnn(C[C@H](C)NCc2csc(-c3ccsc3)n2)c1 69442868 ZPLGRWNBHCQLTH-LBPRGKRZSA-N 318.471 3.555 0 40 DHAB C[C@@H]1C[C@H]1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 71185110 UXVDTLNJHNRNOZ-CXAGYDPISA-N 323.396 3.603 0 40 DHAB CCS[C@@H]1CCCCN(Cc2nccn2CC(F)(F)F)C1 71899674 USXGDFFXDHZPLR-GFCCVEGCSA-N 321.412 3.553 0 40 DHAB CCCNc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72213131 IVRSJQYWJOJZDE-AWEZNQCLSA-N 305.422 3.976 0 40 DHAB COc1cc(C)c([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72218053 SQJNGQNDSOABKT-QGZVFWFLSA-N 310.397 3.766 0 40 DHAB Cc1cc([C@H](C)NC(=O)N[C@H](C)c2csc(C)n2)c(C)o1 72271580 JDQCAWCPQCQIQO-VHSXEESVSA-N 307.419 3.783 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2ccccc2)cc1 72328831 SLRZIYXPMKMEKE-ZDUSSCGKSA-N 321.380 3.576 0 40 DHAB O=C(CCc1cscn1)Nc1cc(-c2ccccc2F)no1 75137561 JISHDHHQOFPLQR-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB C[C@H](Cc1ccc(O)cc1)N(C)c1ccnc(-c2ccccc2)n1 79099060 UQERZBUTWZSRTQ-OAHLLOKOSA-N 319.408 3.917 0 40 DHAB C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccccn1 80056428 MQQVRGMUKWPKQZ-AWEZNQCLSA-N 319.474 3.604 0 40 DHAB Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)n[nH]1 84110290 OCYOORRAIZEWIV-AEFFLSMTSA-N 323.440 3.544 0 40 DHAB Cc1cc(CC(=O)N2CCC[C@@H]2c2ccccc2Cl)no1 84116988 YEWORCSEFXFMFN-OAHLLOKOSA-N 304.777 3.543 0 40 DHAB Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@H](CCC(=O)O)C2 84817261 UIZMALRBRRTKKC-CYBMUJFWSA-N 319.401 3.774 0 40 DHAB Cc1cn2cc(C(=O)Nc3nc4ccccc4s3)sc2n1 89702194 ARTSESODQNEKSU-UHFFFAOYSA-N 314.395 3.566 0 40 DHAB O=C(N[C@@H]1COc2ccccc2C1)c1cccc(-c2ccoc2)c1 89743505 FAYAWVANPDOBBP-SFHVURJKSA-N 319.360 3.680 0 40 DHAB Cc1cc(NCC2=CCCOC2)ccc1C(=O)OC(C)(C)C 90201808 VIGCSQPZZTXWPP-UHFFFAOYSA-N 303.402 3.709 0 40 DHAB O=C(c1cccc(NCc2cccs2)c1)N1CCSCC1 95428862 XKYCSBSAWOCYLQ-UHFFFAOYSA-N 318.467 3.549 0 40 DHAB Cc1cc(C)n(CCCNCc2c(Cl)cccc2Cl)n1 98078544 PLCUCVUQOXRLHR-UHFFFAOYSA-N 312.244 3.987 0 40 DHAB CC(C)(Cc1ccccc1Cl)NCc1cccc(C(N)=O)c1 105492103 URHJLPMMYGGWAB-UHFFFAOYSA-N 316.832 3.550 0 40 DHAB Cc1cc(C)c(NC(=O)CNc2ccnc(C(C)C)n2)c(C)c1 106464021 UKJVURNFHYCQLV-UHFFFAOYSA-N 312.417 3.576 0 40 DHAB COc1cccc(C=O)c1OCCCCN1CCCC[C@@H]1C 217792603 IHSUEFLVDRNMMB-HNNXBMFYSA-N 305.418 3.541 0 40 DHAB Cc1cc(S[C@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)nc(S)n1 221828652 FQMQIQCRUPFDGN-MURWCNHISA-N 308.472 3.560 0 40 DHAB COc1ccc(CCC(=O)Nc2cc(C)ccc2OC)cc1C 224827561 DHZARHCYJPZMMC-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB CCOC(=O)c1cccc(NC(=S)NC2(C)CCCCC2)c1 225863571 QZAAYGDJWMDPNC-UHFFFAOYSA-N 320.458 3.873 0 40 DHAB O=C(O)c1ccccc1C(=O)O[C@H]1C[C@H]2CC3(CC3)[C@H]1C21CC1 247426157 SPLOOJZSTBSGKD-CQDKDKBSSA-N 312.365 3.510 0 40 DHAB CCN(C)C(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 583651633 PQBSGBRUYBVPTN-ZETCQYMHSA-N 315.204 3.592 0 40 DHAB Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2c(C)coc2C)cc1 670801958 XZCDMHIJNNGZPY-SJLPKXTDSA-N 313.397 3.855 0 40 DHAB Cc1nc2cc(NC(=O)c3cc4c(nn3)CCCC4)ccc2s1 1888906683 MJUKHGDYOUPDTQ-UHFFFAOYSA-N 324.409 3.526 0 40 DHAB C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 49480 JKIAXUYHVXSVCZ-SECBINFHSA-N 308.230 3.557 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)c(OC)c1 147239 BGCAVRGCDHDNFL-PKNBQFBNSA-N 311.381 3.973 0 40 DHAB CC[C@@H]1CCc2c(sc(NC(=O)C(C)C)c2C(=O)OC)C1 483876 CTEKUGNUZOWVBY-SNVBAGLBSA-N 309.431 3.644 0 40 DHAB COc1cc2c(cc1OC)/C(=C/c1ccc(C)cc1)C(=O)OC2 2111449 YIDGLCMYDHLEBC-PXNMLYILSA-N 310.349 3.610 0 40 DHAB biogenic O=C(Nc1c(Cl)cccc1Cl)[C@H]1COc2ccccc2O1 2358351 URPDBNAKKXGUEG-CYBMUJFWSA-N 324.163 3.772 0 40 DHAB CN(C)CC[C@H]1c2ccc(Cl)cc2CCc2cccnc21 4212654 BYUAWKXUYPHXSR-KRWDZBQOSA-N 300.833 3.917 0 40 DHAB in-man CCOc1ccccc1NC(=O)CSc1ccc(OC)cc1 5241929 KGCUJIMXYQEGFB-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB Cc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 5394529 ZCBKAJDHFDFPPM-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB Cn1cccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 5552667 SNISSONHLKBJNB-UKTHLTGXSA-N 318.785 3.919 0 40 DHAB Cc1sc2nc(CN3CCCC3)nc(NC(C)C)c2c1C 5938824 SQNAECGVGXTDCG-UHFFFAOYSA-N 304.463 3.724 0 40 DHAB O=C(CNc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 6820425 MAJOQQUZXORFNT-UHFFFAOYSA-N 320.314 3.707 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C)cs2)c1C 7766395 NMXFHIPGEHFBBY-NSHDSACASA-N 322.455 3.963 0 40 DHAB CCCc1nnc(NC(=O)c2oc3ccccc3c2C)s1 7981172 UICZDWVFOVHVFQ-UHFFFAOYSA-N 301.371 3.798 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Nc2cccc(OC)c2)cc1 8265384 QRRXNHZLOUHJFT-GFCCVEGCSA-N 300.358 3.587 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 8313588 JGJDYAZMZGGJME-KRWDZBQOSA-N 318.804 3.755 0 40 DHAB Nc1nc(SCc2nc3ccccc3o2)nc2sccc12 9647691 BITQMVDIACUHMY-UHFFFAOYSA-N 314.395 3.707 0 40 DHAB O=C1CCc2cc(C(=O)Nc3ccc(Cl)cc3F)ccc2N1 10026630 QISNWJYHZMIJRY-UHFFFAOYSA-N 318.735 3.616 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 10748142 GZFCFDYYXPSFPV-UHFFFAOYSA-N 316.788 3.870 0 40 DHAB CCCCC(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 11913736 MQMINWNBHRXYAO-UHFFFAOYSA-N 303.362 3.653 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCCC2 12932278 AZYKRTJLIWHNIB-UHFFFAOYSA-N 323.392 3.979 0 40 DHAB Cc1cc(F)ccc1NCC(=O)N1CCSc2ccccc21 12993608 GHOFTPFEIWJMRC-UHFFFAOYSA-N 316.401 3.685 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(C)c(F)c2)c(OC)c1 13794301 IGQPTKQQKXHFEC-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1C 14120875 KZMVSXQAEDVHAR-VIFPVBQESA-N 320.339 3.603 0 40 DHAB Cc1cc(O[C@@H](C)C(=O)NCCc2ccccc2)ccc1Cl 15360995 CBUUGMSPIDGBHN-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)c2ccccc2n1 16597114 ATNZWAMQCRGYPQ-UHFFFAOYSA-N 305.381 3.862 0 40 DHAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 18831830 PYQXXKWEOUKMGX-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB S=C(NC1CC1)N1CCc2sccc2[C@@H]1c1cccs1 18945644 WPFXKKMYSNTDFH-CQSZACIVSA-N 320.508 3.794 0 40 DHAB CCCCC(=O)NCCc1csc(-c2ccc(OC)cc2)n1 27994493 JBJVESACRVKGIG-UHFFFAOYSA-N 318.442 3.668 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1ccn(-c2ccc(F)cc2)n1 31546878 CNBYHKVSEAKJJK-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1N 32214349 ALXHQGFSHGSEBD-UHFFFAOYSA-N 310.275 3.549 0 40 DHAB Cc1cc(C)cc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1 32930969 JLJGUDMQYUFTLA-UHFFFAOYSA-N 305.381 3.670 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCOc2ccccc21 36760869 WNQSDSOQEYBOEB-UHFFFAOYSA-N 322.339 3.722 0 40 DHAB CCC1CCC2(CC1)NC(=O)N(C/C=C/c1ccccc1)C2=O 37228477 KFAYUIBFGVLKRU-RMKNXTFCSA-N 312.413 3.591 0 40 DHAB Cc1noc(C)c1C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 42700210 FMSJNUSKJMWTTE-GOSISDBHSA-N 321.380 3.548 0 40 DHAB COc1ccc(NC(=O)c2scnc2C)c(C(F)(F)F)c1 48303030 XVJBRACDIULPEN-UHFFFAOYSA-N 316.304 3.731 0 40 DHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2occc2C)c1 48354328 GMZFWCGZGBPKIY-LBPRGKRZSA-N 314.385 3.503 0 40 DHAB Cc1nc(C)c(C(=O)N2CCCCC[C@@H]2c2ccncc2)s1 49765672 VRRFWOLQPNZRRZ-OAHLLOKOSA-N 315.442 3.912 0 40 DHAB COCCCc1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1 50179047 DFHSHYRKVHKYHU-UHFFFAOYSA-N 314.410 3.539 0 40 DHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1CCc1ccccc1 57322265 JFTLEEFNJXIXPQ-QGZVFWFLSA-N 319.408 3.800 0 40 DHAB CCOc1cccc2cc([C@@H](C)NC(=O)c3cccnc3)oc12 57908404 KOEZGMQDDSOVFH-GFCCVEGCSA-N 310.353 3.718 0 40 DHAB CCOCCSc1nnc(-c2ccccc2F)n1C1CC1 58017518 ZWDONCDPDORRGB-UHFFFAOYSA-N 307.394 3.548 0 40 DHAB CCN(CC)[C@@H](CNc1nccc(C(F)(F)F)n1)CC(C)C 58666355 PUMAEUMFHMVGEH-GFCCVEGCSA-N 318.387 3.664 0 40 DHAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1cccc(CN2CCCC2)c1 62300689 OZBILATVXWOPSI-PMACEKPBSA-N 320.436 3.568 0 40 DHAB CC(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C(C)C)C2(C)C)no1 67890298 BITHTBWVFNTPBG-CJNGLKHVSA-N 306.450 3.603 0 40 DHAB biogenic,in-vitro Cc1noc(Cl)c1CCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 68237255 MSOCYLCMSPAEGT-WHOFXGATSA-N 324.852 3.996 0 40 DHAB O=C(Nc1ccccn1)c1ccc(OCc2ccccc2)cc1 69525367 QEMSTRWNCDPJGV-UHFFFAOYSA-N 304.349 3.913 0 40 DHAB Clc1nc(N2CC[C@@H](N3CCCC3)C2)cc2ccccc12 72089558 HUMMXPJMTQBYDA-CQSZACIVSA-N 301.821 3.563 0 40 DHAB CCOC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1O 72237264 QKPRQQGNWLGARS-UHFFFAOYSA-N 319.666 3.789 0 40 DHAB Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C(N)=O)cc2)o1 76120594 WJDJWQUPNWNYDY-DYVFJYSZSA-N 312.413 3.660 0 40 DHAB CC(C)[C@H](N)C(=O)N(Cc1c(Cl)cccc1Cl)C(C)C 79420402 CQRNGGXRIBEGNO-AWEZNQCLSA-N 317.260 3.714 0 40 DHAB Cc1nc(C(=O)Nc2ccccn2)c(-c2cccc(F)c2)s1 79475198 PGLWRVAVKQDWMM-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1cnc(NC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)s1 89702425 RSKXIPISYPAGHD-CABZTGNLSA-N 323.443 3.507 0 40 DHAB c1coc([C@H]2CCCN2Cc2nnc(-c3cccs3)o2)c1 89794507 WOIBUBUGYZJQSR-LLVKDONJSA-N 301.371 3.728 0 40 DHAB C[C@H](NC(=O)N(C)CC(C)(C)O)c1cc2cc(Cl)ccc2o1 95411329 XNKGMINVRHUEKU-JTQLQIEISA-N 324.808 3.560 0 40 DHAB COc1cc(NCCc2ccc(C)cc2)cc(OC)c1OC 95454334 VPXMGDYAFJFSGD-UHFFFAOYSA-N 301.386 3.675 0 40 DHAB CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@@H]1O 95466992 PSHGUWGZZOTJNZ-KGLIPLIRSA-N 310.825 3.601 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccsc1)c1ccc(C)s1 96104743 QANIFWOBUSBJSH-BPJJOFIESA-N 307.440 3.635 0 40 DHAB O=C(N[C@@H](c1ccc(F)cc1)c1ccccn1)[C@@H]1C[C@H]2C=C[C@H]1C2 100794309 HWQSLOBZQXURFZ-YRMAPFEESA-N 322.383 3.639 0 40 DHAB O=C(O[C@H]1C[C@H]2CC[C@H]1C2)c1cc2cc(Cl)ccc2oc1=O 102598659 WFNNBYMHFRVTAR-YHAQOWFVSA-N 318.756 3.792 0 40 DHAB C[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108981042 BODPWXQMNACCCN-OAOQPFQOSA-N 324.424 3.825 0 40 DHAB C[C@@H](c1cccs1)[S@](=O)Cc1ccc(-n2cccn2)cc1 195562678 BONRQSPPWFREOJ-YEJXKQKISA-N 316.451 3.944 0 40 DHAB Cc1cccc(CCCNC(=O)COc2ccccc2Cl)c1 218848194 SSKYUCRFGYBQGH-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OC)c(C)c1 223023149 HOXPPYNJPVZCSL-QGZVFWFLSA-N 315.388 3.953 0 40 DHAB Cc1ccc(C)c(OCCNC(=S)Nc2ccc(F)cc2)c1 224051158 QANNGHRTWXZXSJ-UHFFFAOYSA-N 318.417 3.808 0 40 DHAB Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CCN[C@H]2CCC[C@H]21 252515020 FUJSTKVKXGEKGI-HLNWXESRSA-N 314.473 3.511 0 40 DHAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)n1 257211020 BXDIPQZFGBTPGZ-SFHVURJKSA-N 323.440 3.617 0 40 DHAB Cc1cnc(NC(=O)c2ccnc(Cc3ccccc3)c2)s1 257228775 FVDWAVYOKDUBMQ-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB Cc1ccc(NCc2ccc(-c3ccccc3C(=O)O)o2)nc1 257273406 NGLLZLNUIJDMAB-UHFFFAOYSA-N 308.337 3.960 0 40 DHAB Cc1cc([C@@H]2CCCN2Cc2cccc(C(=O)O)c2Cl)on1 565104969 WYOABFZRMHAXTD-ZDUSSCGKSA-N 320.776 3.672 0 40 DHAB Cc1cc([C@@H]2CCCN2Cc2ccc(C(=O)O)c(Cl)c2)on1 576114520 WUJKSJMAEBFTOF-AWEZNQCLSA-N 320.776 3.672 0 40 DHAB O=C(Cc1cccc2ccccc12)NC[C@@H]1COc2ccccc21 576260548 JQEZALSDOQKXDH-QGZVFWFLSA-N 317.388 3.675 0 40 DHAB Cc1nsc(C)c1NS(=O)(=O)c1cccc(Cl)c1C 585086372 LRQSOISXKGBWQT-UHFFFAOYSA-N 316.835 3.523 0 40 DHAB O=Cc1nc(Br)c(-c2cccc(C(F)(F)F)c2)[nH]1 1857794640 FOROCEGLMIOEJU-UHFFFAOYSA-N 319.080 3.671 0 40 DHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 233239 RPUFBGAIJXSOAN-NXEZZACHSA-N 316.184 3.823 0 40 DHAB O=C(CCc1ccccc1)Nc1nnc(-c2cccs2)s1 1356281 NCBZRRRJVYSHJM-UHFFFAOYSA-N 315.423 3.838 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1 3230127 PUIKVBPMCVBEFP-MDZDMXLPSA-N 313.353 3.598 0 40 DHAB COc1ccc(NC(=S)Nc2cc(OC)ccc2OC)cc1 3256411 BEXNDXQKTNAHDA-UHFFFAOYSA-N 318.398 3.521 0 40 DHAB O=C(CNCc1ccco1)Nc1ccccc1-c1ccccc1 3426959 WSWKTFPVRKWBOX-UHFFFAOYSA-N 306.365 3.675 0 40 DHAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 3514971 BYQHYSHNJAVAHY-UHFFFAOYSA-N 301.773 3.846 0 40 DHAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3)NC(=O)CN21 4000157 FNIOOKBXGRMMLD-RJRNSMGGSA-N 318.420 3.632 0 40 DHAB biogenic CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 4975896 WPHMBVXWSZVGQQ-OAHLLOKOSA-N 314.429 3.540 0 40 DHAB O=c1oc2ccccc2n1CN1CCC(Cc2ccccc2)CC1 5066998 UHTOYUWICISICY-UHFFFAOYSA-N 322.408 3.507 0 40 DHAB C[C@@H](CNC(=O)CCC1CCCC1)NC(=O)CCC1CCCC1 6249590 WPWNEKPCNHDZKY-HNNXBMFYSA-N 322.493 3.548 0 40 DHAB CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3)[nH]2)c1 7605048 JSTRRJRZWWXFDL-UHFFFAOYSA-N 324.409 3.722 0 40 DHAB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=O)c1 8369970 ZNVPATQXDAJFLQ-UHFFFAOYSA-N 317.772 3.787 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCSC(C)(C)C)cc1C 8558453 CALWRLPPPUFWPV-CQSZACIVSA-N 309.475 3.719 0 40 DHAB OCn1nc(-c2cc3ccccc3o2)n(-c2ccccc2)c1=S 9418457 LICXIXGVDVRJHX-UHFFFAOYSA-N 323.377 3.766 0 40 DHAB Cc1cc(C)cc(-n2ncc3c(N4CCC[C@@H](C)C4)ncnc32)c1 9627420 NZUXOOCZCZKXSR-CYBMUJFWSA-N 321.428 3.669 0 40 DHAB Cc1nn(C)c(C)c1Nc1nc(C(F)(F)F)nc2ccccc12 9740970 SQYDSOUGRQCXBZ-UHFFFAOYSA-N 321.306 3.743 0 40 DHAB O=C(c1cccs1)N1CCc2cc(Br)ccc21 10824702 FDLDUGPYSKEWMM-UHFFFAOYSA-N 308.200 3.714 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCC3=O)c(C)c1 11100632 WSRCCZGQGLMBRQ-CQSZACIVSA-N 323.392 3.838 0 40 DHAB O=C(O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12 12399070 PDHTVJCBZCRINE-UHFFFAOYSA-N 315.332 3.762 0 40 DHAB Cc1ccccc1[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1 12545022 XRIJEJDXNDFQNG-KRWDZBQOSA-N 322.437 3.831 0 40 DHAB Cc1nn2c(nc(N3CCCCC3)c3ccccc32)c1Cl 12775243 ALAHOFAIMZCUCB-UHFFFAOYSA-N 300.793 3.835 0 40 DHAB CC(C)c1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 12995471 RVKYTULFRZABQG-MRXNPFEDSA-N 308.381 3.875 0 40 DHAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCc2ccccc21 13012480 CHAVFIYEQXTSCG-MRXNPFEDSA-N 309.365 3.516 0 40 DHAB COC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 13329162 NDMWTSCQLDISKZ-UHFFFAOYSA-N 316.382 3.667 0 40 DHAB CN(Cc1ccco1)C(=O)c1ccccc1C(=O)c1ccccc1 14139275 IOFRVJWRUJDDMN-UHFFFAOYSA-N 319.360 3.783 0 40 DHAB COc1ccc(CCNC(=S)Nc2ccc(F)c(F)c2)cc1 16221618 POMQEYVDCQFHDX-UHFFFAOYSA-N 322.380 3.503 0 40 DHAB O=C(Cc1csc(-c2cccs2)n1)Nc1nccs1 16641337 NJHJQIGTQQNHNC-UHFFFAOYSA-N 307.425 3.509 0 40 DHAB O=C(O)c1ccc(NC(=O)c2ccccc2Cl)cc1Cl 20137774 YSVDRPLGUOJELT-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)[nH]1 24575913 BWFRVNLDMIMXBG-UHFFFAOYSA-N 312.291 3.825 0 40 DHAB CCCOc1ccc2nc(NC(=O)c3ccco3)sc2c1 27756778 YQMLZKZYFGOMTQ-UHFFFAOYSA-N 302.355 3.930 0 40 DHAB Cc1ccc(-c2nc(CSc3nc(C4CC4)n[nH]3)cs2)o1 30925347 PZHHUZBSPCHRLG-UHFFFAOYSA-N 318.427 3.999 0 40 DHAB COC(=O)c1cc(NC(=O)c2ccccc2F)ccc1Cl 31055131 HXITYJYVGMKSFB-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB Cc1ccc(NC(C)(C)c2nnnn2-c2ccc(C)cc2)cc1 35622103 MMPHWFSXGLUXAG-UHFFFAOYSA-N 307.401 3.626 0 40 DHAB CN(CCCc1ccccc1)Cc1nc(-c2ccsc2)no1 40105861 PXXRAANBQZWCDQ-UHFFFAOYSA-N 313.426 3.863 0 40 DHAB Cc1c(C(=O)N[C@@H](C)c2ccccc2F)oc2c1C(=O)CCC2 40130349 YPLSKUWOAPBQOI-NSHDSACASA-N 315.344 3.737 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(N)cc1C 45890300 HFTZKKNKJLSRAW-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(F)ccc1F 48652771 XNQMRQDUKXDHFN-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]1c1ccccn1 55517936 UHXDDXCRPIXSIA-LJQANCHMSA-N 317.392 3.850 0 40 DHAB Cc1cccc(-c2cn(Cc3ccccc3C(F)(F)F)nn2)n1 67741708 YNBVBLLQZKYNDZ-UHFFFAOYSA-N 318.302 3.716 0 40 DHAB O=C(c1csc(-c2c(F)cccc2F)n1)N1CCCCC1 69373469 SODCCRMXGBUCJP-UHFFFAOYSA-N 308.353 3.714 0 40 DHAB CCOCc1ccccc1NC(=O)NCc1cc(F)ccc1F 71857013 UJWQGFDWSIVGBG-UHFFFAOYSA-N 320.339 3.823 0 40 DHAB CC(C)(C)OC(=O)N(c1ccc(C2=NCCC2)cn1)C1CCC1 72215423 MLYXUDUSMHCLHE-UHFFFAOYSA-N 315.417 3.959 0 40 DHAB Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72218776 YMCUMJBAVUWBML-SFHVURJKSA-N 323.440 3.823 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)NCCc2ccccc2)s1 72269998 YZRJXDJRHBFHPM-CYBMUJFWSA-N 317.458 3.705 0 40 DHAB Cc1ccc2oc(N3CCC[C@@H]3c3noc(C(C)C)n3)nc2c1 72285222 IPRPUGHFTQQFMO-CYBMUJFWSA-N 312.373 3.984 0 40 DHAB COc1cc(C(C)=O)ccc1O[C@@H](C)c1nc(C(C)C)no1 72296233 CTQKOQJDOIJZIN-NSHDSACASA-N 304.346 3.544 0 40 DHAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c1 72404186 SCSYYVIIDDUJKF-HNNXBMFYSA-N 323.352 3.657 0 40 DHAB CC[C@H](NC(=O)CCCn1ccnc1C)c1cc(F)ccc1F 77137598 RGYNWPYACKESII-INIZCTEOSA-N 321.371 3.517 0 40 DHAB Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nnc(C3CC3)s2)s1 89656442 BUTJRPHMCHOHGY-UWVGGRQHSA-N 305.428 3.528 0 40 DHAB O=C(N[C@H]1COc2ccccc2C1)c1cccc(-c2ccoc2)c1 89743508 FAYAWVANPDOBBP-GOSISDBHSA-N 319.360 3.680 0 40 DHAB C[C@H](Cc1ccccc1)OC(=O)c1ccc(-n2ccnc2)cc1 95456257 PYZBDDAPIJTLSZ-OAHLLOKOSA-N 306.365 3.660 0 40 DHAB CC(C)CN(C(=O)CN[C@@H](C)c1ccc(Cl)cc1)C1CC1 97473786 SNXJSYNOJBODBX-ZDUSSCGKSA-N 308.853 3.638 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1 101275329 VMFFDUZNUSMINS-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CC(=O)c1nn(-c2ccccc2)/c(=N\c2ccccc2)cc1C 104227274 KXJVZIXJELLFKF-ZZEZOPTASA-N 303.365 3.616 0 40 DHAB O=[S@@](C[C@@H]1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1 194504766 RBEYHKFVBKSSAK-RLBGWGEZSA-N 312.740 3.645 0 40 DHAB Cc1nccn1Cc1ccc(NC2CCN(C(C)C)CC2)cc1 195557895 YSGPOFLNWGISFJ-UHFFFAOYSA-N 312.461 3.525 0 40 DHAB Cc1ccnc(Nc2ccc(I)cc2)c1 199716587 UFDFQIKFZFMGRY-UHFFFAOYSA-N 310.138 3.738 0 40 DHAB CCN(CC(=O)O)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 225455738 VBEYMNFPHSBQBQ-CQSZACIVSA-N 313.397 3.830 0 40 DHAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)c1 225607062 RZGSKHBPGCSYMA-AWEZNQCLSA-N 321.417 3.790 0 40 DHAB Cc1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)cc1C 225698850 UHCBUNSWRSYADA-UHFFFAOYSA-N 311.425 3.820 0 40 DHAB Cc1ccc2c(c1)nnn2C(=O)CSc1ccc(Cl)cc1 226359657 FMSXEIVAPRNROT-UHFFFAOYSA-N 317.801 3.826 0 40 DHAB COc1ccc([C@@H]2[C@@H](NC[C@H]3CCOC3)[C@@H]3CCCC[C@H]32)cc1 257367422 PKRIDGKYLLMKGD-SBUWESJJSA-N 315.457 3.594 0 40 DHAB Clc1cccc([C@H]2CCN(Cc3cnn4ccccc34)C2)c1 556909843 OUZHWFHEMATMFE-HNNXBMFYSA-N 311.816 3.977 0 40 DHAB O=C(Cc1cccc2ccccc12)NCc1cncc(C2CC2)c1 575619167 IGMYCESMZFPPEW-UHFFFAOYSA-N 316.404 3.971 0 40 DHAB CCOCC[C@H]1CCOC12CCN(Cc1ccsc1)CC2 585105223 QVCPRTOVKITGNS-INIZCTEOSA-N 309.475 3.546 0 40 DHAB O[C@@H]1[C@@H](NC2CCCCCC2)CCC[C@H]1Oc1ccccc1 585289570 RSOPBKNDZDWCHR-IPMKNSEASA-N 303.446 3.660 0 40 DHAB Cc1ccnc(NC(=O)c2cccc(NC(=O)C3CCCC3)c2)c1 365490 FTFUWZVVNMHKCH-UHFFFAOYSA-N 323.396 3.771 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 1934210 AOKQDHWRAKAFKI-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB CC(=O)Nc1ccc(SCC(=O)N(C)C2CCCCC2)cc1 2621650 IMMQLRMTMISRBC-UHFFFAOYSA-N 320.458 3.528 0 40 DHAB CCCOc1cc(-n2nc(C)cc2C)nc(-c2ccccc2)n1 3141976 ACFWOHINRMZJFD-UHFFFAOYSA-N 308.385 3.735 0 40 DHAB Cc1cc(C(=O)OCC(=O)Nc2cccc3ccccc23)c(C)o1 3254527 UJBDOHDRQGHWDS-UHFFFAOYSA-N 323.348 3.845 0 40 DHAB CC(C)(C)C(=O)CSc1nnc2sc3ccccc3n12 3495722 OWIREBSFPXLOCG-UHFFFAOYSA-N 305.428 3.651 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1C 3512276 GULLGHLESBDTOZ-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1ccc(CNC(=O)/C=C/c2ccc(Br)o2)cc1 3554469 MXCPSRWEMZBKLR-VQHVLOKHSA-N 320.186 3.680 0 40 DHAB CCCCCCn1c(S[C@@H](C)C(N)=O)nc2ccccc21 4246478 ALMBXDOPPJFJAH-LBPRGKRZSA-N 305.447 3.583 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1ccccc1 5211101 RAPZNQBPWQLHEB-UHFFFAOYSA-N 306.365 3.846 0 40 DHAB O=C(Nc1ccnn1Cc1ccccc1)c1cc2ccccc2o1 5256248 VTWMWMSJFNMWRO-UHFFFAOYSA-N 317.348 3.930 0 40 DHAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CC=CCC3)c2cc1C 6291314 LCOWEHKIKTYSGQ-AWEZNQCLSA-N 312.365 3.809 0 40 DHAB Fc1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 7444012 QMPGCPVGJOCOAM-UHFFFAOYSA-N 324.290 3.886 0 40 DHAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCCC3)c1 8061036 XPYKCUVJINEAQI-UHFFFAOYSA-N 311.381 3.835 0 40 DHAB Cc1cccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)c1 8683957 SORNXJQRQVXGHK-UHFFFAOYSA-N 301.349 3.689 0 40 DHAB O=C(Nc1ccccn1)c1ccc2nc(-n3cccc3)sc2c1 9422679 PUYAKDFDOUKGDY-UHFFFAOYSA-N 320.377 3.734 0 40 DHAB CCCNC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 9575878 POJKTCYWMZJFDQ-INIZCTEOSA-N 300.427 3.815 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 11083256 VLNWFOYQJVTQRD-UHFFFAOYSA-N 319.408 3.512 0 40 DHAB N#C/C(C(=O)CCl)=C1\NC(c2ccc(Cl)cc2)=CS1 12504575 YZCXIYAHZLLOAP-RAXLEYEMSA-N 311.193 3.518 0 40 DHAB COC(=O)c1ccc(C)c(NC(=S)Nc2ccc(C)cc2)c1 13793249 CVQNRGKNIBUANX-UHFFFAOYSA-N 314.410 3.899 0 40 DHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc2cccnc12 14075345 ATXQGXXVBXGAJW-UHFFFAOYSA-N 322.339 3.976 0 40 DHAB COc1ccc(-c2nnc(COc3ccc(F)c(F)c3)o2)cc1 14140034 OZMAWDNPYIQTNM-UHFFFAOYSA-N 318.279 3.602 0 40 DHAB Cc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1C 14291454 SVEGSKGCIMVEIK-UHFFFAOYSA-N 309.818 3.899 0 40 DHAB COc1ccc(CC(=O)Nc2cccc3ncccc23)cc1F 14897111 NLQGWRLUYCLBFZ-UHFFFAOYSA-N 310.328 3.564 0 40 DHAB O=C(Nc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 15408562 GTYVBKAVRCEWKU-UHFFFAOYSA-N 314.772 3.941 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1C 15669581 GLIYGYRHIXKHFH-UHFFFAOYSA-N 311.341 3.518 0 40 DHAB Cc1ccc(SCCC(=O)NCc2ccc(F)cc2)cc1 15790022 NNZPTKZHENAJDD-UHFFFAOYSA-N 303.402 3.933 0 40 DHAB O=C(OCc1ccccc1Cl)c1cc(Br)c[nH]1 19357967 PLMZRUDVFSUASF-UHFFFAOYSA-N 314.566 3.788 0 40 DHAB COc1ccc(CC(=O)Nc2cccc3ccc(C)nc23)cc1 19938125 NNBJWYHVABSXBX-UHFFFAOYSA-N 306.365 3.733 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)no2)cc1 21786505 LNZZLXMMABGJMC-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB COC(=O)c1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)oc1C 22747896 VOIRTOGVUGPSRT-NTUHNPAUSA-N 317.728 3.521 0 40 DHAB Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1 24746479 LXINBNUQQCAFNF-UHFFFAOYSA-N 316.360 3.873 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)C[C@@H](C)c3ccccc3)ccc21 24969402 WGTNENJDOCWMCU-CQSZACIVSA-N 322.408 3.728 0 40 DHAB CN(Cn1nc(-c2cccs2)[nH]c1=S)C1CCCCC1 25285884 PGHIVKCFZNVBHX-UHFFFAOYSA-N 308.476 3.891 0 40 DHAB CCOC(=O)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1 25777309 MCHAJLYOGQQAAM-LJQANCHMSA-N 322.408 3.604 0 40 DHAB Cc1cc(NC(=O)c2cccs2)n(-c2ccc(F)cc2)n1 28219955 MYCYSHTVXODMHT-UHFFFAOYSA-N 301.346 3.634 0 40 DHAB CCNc1nc(S[C@@H](C)c2nc(C)no2)nc2ccccc12 31766933 YIILSNILFVVLQX-VIFPVBQESA-N 315.402 3.606 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 32680946 AJZUSQPQUZJHLL-ZIAGYGMSSA-N 301.361 3.608 0 40 DHAB CN(C)Cc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1 32818106 OYCJHTLJXPCARV-UHFFFAOYSA-N 318.367 3.598 0 40 DHAB Cc1ncsc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 34533173 WMEPDEOQNCSYFA-UHFFFAOYSA-N 322.389 3.935 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(N)c1 37275283 TZPCLIHZZVCGPU-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1cccs1 40121694 CXVRZOGUURGYLH-ZDUSSCGKSA-N 303.427 3.955 0 40 DHAB c1coc(CNc2nc(Nc3ccncc3)nc3ccccc23)c1 41151242 VCPHAZNQRFUQBR-UHFFFAOYSA-N 317.352 3.974 0 40 DHAB COc1ccc(CCC(=O)N(Cc2ccsc2)C2CC2)cc1 44446566 OOPVMQKODPMZIA-UHFFFAOYSA-N 315.438 3.881 0 40 DHAB CCN(CC)CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1 48333590 XEXRANFHEIQQDO-CVEARBPZSA-N 322.518 3.794 0 40 DHAB CCc1ccsc1C(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 59982688 XVVRGHJYPHQIEL-ZIAGYGMSSA-N 322.518 3.797 0 40 DHAB O=C(Nc1ccnn1C1CCCCC1)c1ccc2c(c1)COC2 64382924 NFHRQWZNSDPLLI-UHFFFAOYSA-N 311.385 3.671 0 40 DHAB Cc1cc2c(cc1C(=O)Nc1ccc(F)c(F)c1)OCCCO2 65315033 TTZAEDSXGFFLCE-UHFFFAOYSA-N 319.307 3.687 0 40 DHAB CCC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC 65606440 WEXPMLZPTYCPDB-LBPRGKRZSA-N 312.207 3.531 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)Cc1ccc(Cl)cc1 65720109 ITLGQKZWRRIYDN-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB C[C@H]1C[C@@H](C)n2nccc2N1C(=O)c1cc2cc(F)ccc2o1 71910370 AJLZHYJPVVEBBB-WDEREUQCSA-N 313.332 3.768 0 40 DHAB Cc1ccc(C2(C(=O)N3C[C@@H](C)C[C@H](C)C3)CCOCC2)cc1 72265198 ADKJAAWBQNUIPV-IRXDYDNUSA-N 315.457 3.548 0 40 DHAB CC(C)N(Cc1cccnc1)C(=O)N[C@H]1CCc2ccccc2C1 72271089 SAZCLTWIBVYJFN-IBGZPJMESA-N 323.440 3.559 0 40 DHAB c1cncc(CN2CC[C@@H](Cc3cncc4ccccc34)C2)c1 72367969 WZWMNFIANIMUCR-INIZCTEOSA-N 303.409 3.694 0 40 DHAB c1cncc(CN2CC[C@H](Cc3cncc4ccccc34)C2)c1 72367970 WZWMNFIANIMUCR-MRXNPFEDSA-N 303.409 3.694 0 40 DHAB COc1cc(Cl)c(CNC(=O)C2CCCCC2)cc1OC 72434088 IMVGWZKDLOUGEE-UHFFFAOYSA-N 311.809 3.554 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)N2C[C@H](C)CCC[C@@H]2C)c1 76068746 OUIXQPDGRZXZAA-OCCSQVGLSA-N 318.417 3.824 0 40 DHAB OC1C2CC3CC1CC(C2)C3Nc1ccc(Br)cc1 77293538 VALMSWJHKMROEO-UHFFFAOYSA-N 322.246 3.657 0 40 DHAB in-vitro O=C(CCc1ccc2c(c1)CCO2)Nc1cccc2[nH]ccc12 79190236 LDYMXMUEAYAGOA-UHFFFAOYSA-N 306.365 3.674 0 40 DHAB biogenic O=[S@](Cc1cn2ccccc2n1)c1cccc(C(F)(F)F)c1 83977455 BQSWROMOFSJTHM-QFIPXVFZSA-N 324.327 3.661 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1C(N)=O)c1ncc(C(C)(C)C)o1 89124949 HUSUITVYBTYCMB-SECBINFHSA-N 322.792 3.864 0 40 DHAB Cc1sc2nc(CN(C)C(C3CC3)C3CC3)nc(N)c2c1C 93169010 BHZAZGQRBPOOBX-UHFFFAOYSA-N 316.474 3.511 0 40 DHAB O=C(c1ccncc1)N(c1cccc2cccnc12)C1CCC1 95396379 ZCLJYYWFSZXDKN-UHFFFAOYSA-N 303.365 3.829 0 40 DHAB Clc1ccc(C2=NN=C(Nc3ccccn3)SC2)s1 95425621 CBMNXFWIJHYGJN-UHFFFAOYSA-N 308.819 3.716 0 40 DHAB Cc1ccc(CNCc2ccccc2CO)c(Br)c1 95435684 HWNXRASYIILPDC-UHFFFAOYSA-N 320.230 3.540 0 40 DHAB Cn1cc(C(C)(C)NCc2ccc(F)c(C(F)(F)F)c2)cn1 95440121 MEBPRZZFMVIVNG-UHFFFAOYSA-N 315.314 3.603 0 40 DHAB CSc1ccc([C@@H](O)CNC(=O)c2cccc(Cl)c2)cc1 96103053 ZEHLIMDWAZRLMO-HNNXBMFYSA-N 321.829 3.525 0 40 DHAB Cc1csc(C2(NC(=O)CC[C@@H]3CC[C@@H](C)O3)CCCC2)n1 96441086 MDFNKEQASVEHRL-KGLIPLIRSA-N 322.474 3.685 0 40 DHAB Fc1ccc(C2=C[C@@H](c3cccc(F)c3)n3ncnc3N2)cc1 101223697 AOBUIQXWFGVHRQ-INIZCTEOSA-N 310.307 3.612 0 40 DHAB CCOc1ccc(C(=O)NCCSC2CCCCC2)cc1 219952743 SAJRAQZWVFJBNJ-UHFFFAOYSA-N 307.459 3.881 0 40 DHAB CCn1ncnc1CS[C@@H](C)c1ccc(OC(F)F)cc1 225590972 RVYIJBXIHZNAQT-JTQLQIEISA-N 313.373 3.894 0 40 DHAB CC(=O)c1ccc(CCNC(=O)Nc2ccccc2C)s1 225675193 ZVNAAGMNQWMPGJ-UHFFFAOYSA-N 302.399 3.623 0 40 DHAB Cc1cc(Br)cnc1N1CCC(C(F)(F)F)CC1 228322145 FEFQOGKDJPUWHC-UHFFFAOYSA-N 323.156 3.931 0 40 DHAB Fc1cccc(-c2cnc3n2CCN(Cc2cccs2)C3)c1 306130954 JTHOGNOYTDRDGO-UHFFFAOYSA-N 313.401 3.767 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@H](O)c1cccs1 306145436 FJSBJELHHMWXAP-SECBINFHSA-N 300.263 3.640 0 40 DHAB C[C@H](NCc1nc(Cl)cs1)[C@H](c1ccccc1)N(C)C 585117203 URNSCCQITJBQFG-XHDPSFHLSA-N 309.866 3.578 0 40 DHAB O=C1N[C@H](c2cccc(F)c2)Nc2sc3c(c21)CCCC3 178357 XGBSVYXZSSBYEU-AWEZNQCLSA-N 302.374 3.620 0 40 DHAB Cc1cccc(-n2c(C)nn(CN3CCCCC3)c2=S)c1C 390677 UTLNCWCRWGMFHG-UHFFFAOYSA-N 316.474 3.772 0 40 DHAB Cc1cccc(C(=O)N2CCN=C2SCc2ccccc2)c1 429395 PCBYQKVGFZSFSV-UHFFFAOYSA-N 310.422 3.740 0 40 DHAB CC(=O)c1ccc(NC(=S)Nc2ccc3nccnc3c2)cc1 445085 KRRURJHRKCZCJW-UHFFFAOYSA-N 322.393 3.641 0 40 DHAB CC(C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)o2)C1=O 1018425 NGOKOWPRKNLGIS-RAXLEYEMSA-N 320.414 3.715 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2cccs2)cc1 1292412 LDNZWAIQZGINNB-INIZCTEOSA-N 309.394 3.838 0 40 DHAB CC(C)(C)c1ccc(-c2nc(NCCO)c3ccccc3n2)cc1 1904944 CLAUILOONBESSQ-UHFFFAOYSA-N 321.424 3.999 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1C 3443461 DIDIKIWALBXJNI-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB O=C(COC(=O)c1ccccc1Cl)NC1CCCCCCC1 3507383 WFUVMSNGSWNKQC-UHFFFAOYSA-N 323.820 3.726 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1ccccc1OC(F)F 3607059 JOQKMRJURJOJBU-UHFFFAOYSA-N 321.323 3.922 0 40 DHAB S=C(NCCOc1ccccc1Cl)Nc1ccccc1 4622785 PULFXKXHJNFKID-UHFFFAOYSA-N 306.818 3.705 0 40 DHAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1 5428221 PQLYJMGUDDPHIX-UHFFFAOYSA-N 323.352 3.778 0 40 DHAB Cc1ccccc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 5508035 DUIHJJZMJQLKJI-CQSZACIVSA-N 308.377 3.912 0 40 DHAB COc1ccccc1N=P(c1ccc(C)o1)(N(C)C)N(C)C 5684602 BADJMQBCYQBDTB-UHFFFAOYSA-N 321.361 3.708 0 40 DHAB CCc1ccc(-c2csc(NC(=O)c3cnc(C)cn3)n2)cc1 6220758 MORPMBLFEJEIID-UHFFFAOYSA-N 324.409 3.723 0 40 DHAB O=C(OCCCCOC(=O)[C@H]1CC=CCC1)c1ccccc1 6474647 LZSQOJLCHBXOQI-INIZCTEOSA-N 302.370 3.523 0 40 DHAB C1CCC(Nc2nnc(SC[C@H]3CCCCO3)s2)CC1 6561166 SZJAFMOYSUSBNK-GFCCVEGCSA-N 313.492 3.944 0 40 DHAB Cc1cc(OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)ccc1Cl 6701305 IJIYLATWTIZDHQ-SJORKVTESA-N 322.788 3.676 0 40 DHAB CCSc1ccccc1C(=O)NCCc1ccc(F)cc1 7068890 PPESNORZWAJQSY-UHFFFAOYSA-N 303.402 3.910 0 40 DHAB COc1ccc(OC)c(COC(=O)c2ccc3c(c2)CCC3)c1 7273440 WYYVVBFVZCNKCW-UHFFFAOYSA-N 312.365 3.550 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1F 7814298 GRJRWHDKYALSQQ-UHFFFAOYSA-N 323.371 3.558 0 40 DHAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O 7881951 RHVKUHWNXLCWBM-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 8406092 QWUWUKACLIGSFS-CQSZACIVSA-N 302.418 3.687 0 40 DHAB COc1ccc(C(=O)c2oc3cc(NC(C)=O)ccc3c2C)cc1 9419238 DDLYHBJBTLIDFT-UHFFFAOYSA-N 323.348 3.939 0 40 DHAB biogenic Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)no1 9741055 HKKRCPGRTGZLPA-KRWDZBQOSA-N 306.365 3.697 0 40 DHAB Cc1cc(C)n(CCCNC(=O)Nc2cccc3ccccc23)n1 11004756 KJFUCXZLJKAHMH-UHFFFAOYSA-N 322.412 3.865 0 40 DHAB CC(=O)c1sc(-c2ccc(NC(=O)C3CC3)cc2)nc1C 11180666 SOSKZMZLIJZYNO-UHFFFAOYSA-N 300.383 3.670 0 40 DHAB COc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cn1 12593306 UHCILDHOZBLWDY-UHFFFAOYSA-N 318.376 3.933 0 40 DHAB O=c1[nH]c(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12 12865113 SILJGMLSMLWZMO-UHFFFAOYSA-N 306.296 3.989 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)c1ccc(O)c(Cl)c1 13004299 CPYIYMHVUDAHSA-UHFFFAOYSA-N 319.788 3.505 0 40 DHAB CC(C)C(=O)Nc1ccc(SCc2ccccc2F)nn1 13702049 MBKLSOXMYPYXOW-UHFFFAOYSA-N 305.378 3.503 0 40 DHAB O=c1ccc2ccc(OCc3ccccc3OC(F)F)cc2o1 14014334 DZGKCJUXOQIZDI-UHFFFAOYSA-N 318.275 3.973 0 40 DHAB O=C(c1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 14242495 KIMYUPRXDAJIPD-UHFFFAOYSA-N 305.333 3.791 0 40 DHAB OC1=NC(=S)S/C1=C\c1c(F)c(F)c(F)c(F)c1F 16136194 OMQMRJDKPQETSB-IWQZZHSRSA-N 311.256 3.711 0 40 DHAB COc1ccccc1NC(=O)NCCSc1ccc(C)cc1 18174803 CIYWSAQVSODOKJ-UHFFFAOYSA-N 316.426 3.917 0 40 DHAB COc1ccc(-c2nc(Cl)nn2-c2ccc(F)cc2)cc1 22125821 YSXJCYAXHZQCPE-UHFFFAOYSA-N 303.724 3.735 0 40 DHAB CC(C)c1noc(Cn2c(C(F)(F)F)nc3ccccc32)n1 31818142 LMDWSXXWVPHZNT-UHFFFAOYSA-N 310.279 3.610 0 40 DHAB C[C@@]1(C(=O)N2CCCc3cc(F)c(F)cc32)CC1(Cl)Cl 32816812 UGIFWQFINSKWQF-ZDUSSCGKSA-N 320.166 3.828 0 40 DHAB CCc1ccc(-n2nc3oc4ccc(C)cc4cc-3c2=O)cc1 33020940 BVWDEAWJLWTROC-UHFFFAOYSA-N 304.349 3.954 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 36661292 XZRYDMSCDVGIAZ-GRDNDAEWSA-N 305.418 3.546 0 40 DHAB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)C1CCC1 36709590 LPQVNPBIFZMOTA-UHFFFAOYSA-N 308.381 3.986 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 38833273 NAHDNFBEBFXOEC-GOSISDBHSA-N 308.425 3.846 0 40 DHAB Cc1nc(C)c([C@@H](C)NC(=O)N(C)Cc2cccs2)s1 48688795 HXJIAAALIHXMKL-SNVBAGLBSA-N 309.460 3.724 0 40 DHAB O=C(O)c1cnc(-c2ccc(F)cc2)nc1Nc1ccccc1 49469641 PFFRVMTTWSAFAJ-UHFFFAOYSA-N 309.300 3.725 0 40 DHAB O=C(NCc1cc(-c2ccccc2)no1)c1ccc2c(c1)CCC2 52990030 OVMZSBSUOQYVAS-UHFFFAOYSA-N 318.376 3.760 0 40 DHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC[C@H](C)C1 57544805 ZBOWKAPZMSANHS-LBPRGKRZSA-N 315.417 3.607 0 40 DHAB O=C(Nc1cccnc1)Nc1nnc(C2CCCCC2)s1 58066890 NGTKQBOADHVVRP-UHFFFAOYSA-N 303.391 3.625 0 40 DHAB C[C@@H]1CCN(C(=O)COC(=O)CC2CCCC2)[C@H]2CCCC[C@@H]21 60803030 MHXGKFMCSLRLCX-OIISXLGYSA-N 321.461 3.537 0 40 DHAB C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCO2 65586735 FCYSJNTXPBNHDZ-LBPRGKRZSA-N 315.335 3.605 0 40 DHAB C[C@H](NC(=O)CCOc1ccc(F)cc1Cl)c1cccnc1 65606976 IMPJKRJPEHRFGF-NSHDSACASA-N 322.767 3.520 0 40 DHAB C[C@H](NC(=O)N(Cc1ccccc1F)C1CC1)c1ccncc1 69774391 ZCOONMYTJZWKOS-ZDUSSCGKSA-N 313.376 3.656 0 40 DHAB COCc1cccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1 71883128 WMKFXXASODBHJM-GFCCVEGCSA-N 318.442 3.740 0 40 DHAB Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1nccs1 72272096 CHUUPQYXZBDILB-AWEZNQCLSA-N 316.426 3.584 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)c3ccoc3C)C2)sc1C 72297533 HHDHEMGVGITKEH-ZDUSSCGKSA-N 304.415 3.681 0 40 DHAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2)n1 72376717 DKBPPNSVQHKJEC-ZDUSSCGKSA-N 322.334 3.559 0 40 DHAB Cc1ccc(N2Cc3ccccc3O[C@@H](C)C2=O)cc1Cl 75165477 YGUHVRBVYXRRPC-LBPRGKRZSA-N 301.773 3.963 0 40 DHAB CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1sc(C)nc1C 78768546 WBRBFJYLXLVMEV-OAHLLOKOSA-N 321.490 3.693 0 40 DHAB FC(F)Oc1ccc(NCc2nc(C3CC3)no2)cc1Cl 79156165 BETMVCKLLGHAHJ-UHFFFAOYSA-N 315.707 3.814 0 40 DHAB CCn1ccnc1CSCc1cc(Cl)cc2c1OCOC2 83631731 QTVNRVYAIAVPIO-UHFFFAOYSA-N 324.833 3.856 0 40 DHAB CCn1nc(C)c(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1C 89480838 VWXDUEQIMARMDV-HUUCEWRRSA-N 304.438 3.610 0 40 DHAB CCOc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1 95943459 DEWUZGIHDHNEDU-BQYQJAHWSA-N 302.351 3.741 0 40 DHAB Cc1noc(C(C)C)c1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 95956155 GMKUJBOXASNPAL-ZIAGYGMSSA-N 302.349 3.531 0 40 DHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](c2cccnc2)CO3)o1 96047777 DHBSYDMVSYDHAA-QGZVFWFLSA-N 312.413 3.522 0 40 DHAB Cc1cc([C@@H]2c3ccccc3CCCN2[C@@H]2CCOC2)ccn1 96260791 OPOOVEDFDNTLAZ-UYAOXDASSA-N 308.425 3.517 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4ccccc4Cl)C[C@@H]1CC[C@@]23C 103918276 WIDATBMHYFSJTN-SPOWBLRKSA-N 305.805 3.874 0 40 DHAB O[C@H](c1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1[C@@H](O)c1ccccc1 104151183 VNZJRGWMHCYVFF-XAYQJVIWSA-N 306.405 3.892 0 40 DHAB Cc1occc1[S@@](=O)Cc1nc(-c2ccccc2)oc1C 195577785 WMOJRIWMBRLMFN-NRFANRHFSA-N 301.367 3.859 0 40 DHAB CCN1CCN(Cc2ccc3oc(-c4ccccc4)nc3c2)CC1 216789617 LXWPYHHTRWNUQL-UHFFFAOYSA-N 321.424 3.632 0 40 DHAB Cc1ccc(Cl)cc1Nc1ccc(N)cc1C(=O)NC1CC1 225473826 HWCYKBURLMAGOI-UHFFFAOYSA-N 315.804 3.866 0 40 DHAB O=C(NCc1cccnc1-c1cccs1)c1ccsc1 225758896 DITYIWKABSVWRT-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB Cc1cccc2cc(C(=O)Nc3ccc(F)cc3F)c(=O)oc12 226034762 VFTJCMBDKXLHHI-UHFFFAOYSA-N 315.275 3.632 0 40 DHAB C[C@@H](O)c1cccc(NC(=O)c2cccc(Br)c2)c1 226274157 IYSRZOQULKEVEO-SNVBAGLBSA-N 320.186 3.755 0 40 DHAB CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248197447 RFOUKTSPOZSMEZ-ZQDZILKHSA-N 303.450 3.581 0 40 DHAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3C)nn2)cc1 408528759 KTMWAIYTCIFFCH-UHFFFAOYSA-N 304.349 3.980 0 40 DHAB CCCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OCC 409305323 VMFJWXBGOBNCKR-UVTDQMKNSA-N 321.398 3.540 0 40 DHAB Cc1noc(C)c1NC(=O)NC1(C(C)(C)c2ccccc2)CC1 574155671 QUGRQXBEFOZYCQ-UHFFFAOYSA-N 313.401 3.923 0 40 DHAB CSC1(c2noc(CCCOCc3ccccc3)n2)CC1 585120430 NJIDYJXKVXZQHX-UHFFFAOYSA-N 304.415 3.571 0 40 DHAB c1ccc(OCCCN2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1888856661 RVUQZAKGLFUWBE-IRXDYDNUSA-N 311.429 3.520 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1C 130776 ZGGKFPZNXDZFTK-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB CCCc1ccc(OCC(=O)Nc2nnc(C(C)C)s2)cc1 141997 SKBXUEQFNXZOPC-UHFFFAOYSA-N 319.430 3.632 0 40 DHAB CCc1cc2cc(OC)ccc2nc1SCC(=O)OC(C)C 413198 FBUDXOUVYHLUPE-UHFFFAOYSA-N 319.426 3.850 0 40 DHAB Fc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 507940 GLFPCJRGYHIIEA-UHFFFAOYSA-N 318.355 3.813 0 40 DHAB CCCCN(CCCC)C[C@H](O)Cc1ccc(OCC)cc1 1672740 BNXHRFRXIYQBSO-GOSISDBHSA-N 307.478 3.891 0 40 DHAB CCOP(=O)(OCC)[C@@H](O)c1ccc(Br)cc1 2277393 OFZFDAPSYVGZIG-LLVKDONJSA-N 323.123 3.706 0 40 DHAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(N)=O 4516604 QRTAMDJXMRCVRZ-GFCCVEGCSA-N 324.405 3.975 0 40 DHAB CCCNC(=O)CSc1nc(C(C)(C)C)nc2ccccc12 4936301 NFCZOLXZDBBYQQ-UHFFFAOYSA-N 317.458 3.546 0 40 DHAB Cc1cnc(C(=O)OCc2ccccc2Oc2ccccc2)cn1 7536709 SOXNVSCGONURPU-UHFFFAOYSA-N 320.348 3.934 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)c(C)c1 7547872 UEMFWMQDPHVOIF-UHFFFAOYSA-N 315.344 3.546 0 40 DHAB CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 7986983 IDCYJJCFDFVQNS-GFCCVEGCSA-N 323.421 3.523 0 40 DHAB CCCCNc1nnc(Sc2ncnc3sccc23)s1 8199187 TYOVIHFASKEXDC-UHFFFAOYSA-N 323.472 3.906 0 40 DHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C(C)C)cc1 8923760 JZVACDWTMPXMNK-UHFFFAOYSA-N 320.392 3.875 0 40 DHAB CC[C@@H](C(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C)c1ccccc1 9335192 HSFSMAMJZRQHBZ-HLLBOEOZSA-N 317.429 3.513 0 40 DHAB CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccccc1 9607948 AQBSTJJEYRCSPN-AWEZNQCLSA-N 301.415 3.569 0 40 DHAB O=c1[nH]c(CSc2ccc(Cl)cc2)nc2ccccc12 9678813 GGJRBEUQBKUOOI-UHFFFAOYSA-N 302.786 3.869 0 40 DHAB CCOc1c(Cl)cc(C(=O)Nc2ncccc2C)cc1OC 9835562 VODPCUGVBDKRKC-UHFFFAOYSA-N 320.776 3.703 0 40 DHAB Fc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 12085377 LPXOVGUCSUIEGK-WDYCEAGBSA-N 312.388 3.653 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)cc1 12345535 GIBKEPIOFZWVAN-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB Cn1cc(C(=O)c2ccccc2O)cc1-c1nc2ccccc2[nH]1 12520183 UECYSOFVIOCDRT-UHFFFAOYSA-N 317.348 3.505 0 40 DHAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(F)c3)ccc2o1 12554339 HEJKRCOWQRBXGK-JTQLQIEISA-N 313.332 3.714 0 40 DHAB CCc1ccc(-c2noc(CN3CCc4ccccc43)n2)cc1 12555311 AJSPBBVARQLNNN-UHFFFAOYSA-N 305.381 3.862 0 40 DHAB CCc1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12586387 SQAHATHIADTFMX-LLVKDONJSA-N 303.793 3.737 0 40 DHAB CC(C)n1ncc2cc(NC(=O)CCc3ccccc3)cnc21 12805534 MBHMBYDQWNFPTI-UHFFFAOYSA-N 308.385 3.584 0 40 DHAB O=P(O)(O)[C@H](Nc1ccc(Cl)cc1)c1ccsc1 12997413 UQWKCPKEGGSZTG-NSHDSACASA-N 303.707 3.690 0 40 DHAB Cc1cc(Nc2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3 13208332 LCBPJTNEHPZLSA-UHFFFAOYSA-N 322.320 3.744 0 40 DHAB COc1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 13647020 FQYKDJCDVVFEML-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N(CC(C)C)CC(C)C)c(C)c1 13946399 XAXQXWKQCHXPEP-UHFFFAOYSA-N 311.491 3.915 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCCSc2ccccc2)c1 14399831 MJNBWTJVOJCCAG-HNNXBMFYSA-N 315.438 3.671 0 40 DHAB CC(=O)N(C)Cc1nc2ccccc2n1CCCc1ccccc1 20890317 HUAXGXYBCBDHGA-UHFFFAOYSA-N 321.424 3.647 0 40 DHAB Cc1noc(C)c1CN(C)CC(=O)Nc1cccc2ccccc12 24670648 PDRNTCJPVXRSPA-UHFFFAOYSA-N 323.396 3.515 0 40 DHAB CC(C)CC[C@H](C)NC(=O)c1cc(Cl)c2c(c1)OCCO2 25348824 MCKOWVQVSUSKDT-NSHDSACASA-N 311.809 3.666 0 40 DHAB CC(C)CCN(CC(=O)Nc1cccc2ncccc12)C1CC1 27110992 NZXLBPHFTTUVGL-UHFFFAOYSA-N 311.429 3.684 0 40 DHAB Cc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 27582117 UAADRYPVYYEZSK-INIZCTEOSA-N 314.454 3.623 0 40 DHAB O=C(Nc1ccc(-n2cccn2)cc1)c1c(F)cccc1Cl 27917660 SQLZFWMOFSNDQU-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CC(=O)c1cccc(NC(=O)Nc2ccc(-n3cccn3)cc2)c1 27917731 KPUPQLFOCKNQEC-UHFFFAOYSA-N 320.352 3.719 0 40 DHAB Cc1nc2ccccc2nc1CSc1ncc2ccccn12 36666373 SQDSBZZKMOBBFQ-UHFFFAOYSA-N 306.394 3.878 0 40 DHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1c(C)noc1C 40553178 NIXDTKIGMRMZAW-OAHLLOKOSA-N 316.401 3.565 0 40 DHAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2Cl)c1 40946047 UDPZWXLOWXQSAF-LLVKDONJSA-N 305.761 3.755 0 40 DHAB C[C@H](NC(=O)Nc1ccccn1)c1ccc(C(F)(F)F)cc1 45625267 FBZGEZOXVFMLGK-JTQLQIEISA-N 309.291 3.983 0 40 DHAB CC(C)[C@H]1CN(Cc2ccco2)CCN1Cc1cccs1 57729364 XFUZJKZQAOCQII-QGZVFWFLSA-N 304.459 3.684 0 40 DHAB Cc1nc(C(=O)Oc2ccc(C)c3c2C(=O)C[C@H]3C)cs1 58018333 BTKQLKDAAIBGKW-SECBINFHSA-N 301.367 3.669 0 40 DHAB Cc1csc(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 69848555 IVGWKEPDXJEWRE-UHFFFAOYSA-N 304.390 3.610 0 40 DHAB CCOC[C@@H]1CCCN(C(=O)NCC[C@@H](C)c2ccccc2)C1 71905350 WBDBYFBNMKGTKQ-IAGOWNOFSA-N 318.461 3.638 0 40 DHAB O=C(c1cccc(Cl)c1)N(CC(F)(F)F)C1CCOCC1 75166612 BNALEVJNBGDASD-UHFFFAOYSA-N 321.726 3.524 0 40 DHAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)[C@H]2CCOC2)n1 76042946 LXLIMBIIUUGIEF-STQMWFEESA-N 322.474 3.531 0 40 DHAB O=C(c1cccc(CNc2ccc(Cl)cn2)c1)N1CCCC1 78631025 ZWMDIAHDFYVAES-UHFFFAOYSA-N 315.804 3.583 0 40 DHAB CC(C)n1cc(CCC(=O)NCc2ccncc2)c2ccccc21 79492180 KKVUPONHYVTKFX-UHFFFAOYSA-N 321.424 3.866 0 40 DHAB CC(C)n1cc(CC(=O)NCCc2ccncc2)c2ccccc21 79495394 RXISWLHQOWHCIN-UHFFFAOYSA-N 321.424 3.519 0 40 DHAB Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1COc2ccccc21 84077359 VXFBCQPBDLDXAT-HNNXBMFYSA-N 311.381 3.939 0 40 DHAB CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H](C)CC(=O)OC 84743171 HISVKLARFKQFED-CQSZACIVSA-N 323.408 3.544 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1C(N)=O)c1ncc(C(C)(C)C)o1 89124948 HUSUITVYBTYCMB-VIFPVBQESA-N 322.792 3.864 0 40 DHAB CC(C)n1ccc(C(=O)N[C@H]2c3ccccc3CCC2(C)C)n1 89894086 BCMXVWUCXFGYQT-KRWDZBQOSA-N 311.429 3.908 0 40 DHAB Cc1occc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 91059287 WNMUIRJJZDXGGB-CABCVRRESA-N 323.751 3.641 0 40 DHAB O=C(NCc1ccccn1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 91531756 YPSNSUJUJHCIFI-FXAWDEMLSA-N 321.424 3.693 0 40 DHAB CCc1ccc(C2=CCN(c3cnnc(O)c3Cl)CC2)cc1 92948896 PGRJJUIAJHOZOH-UHFFFAOYSA-N 315.804 3.692 0 40 DHAB O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOC2(CCCC2)C1 95422736 KHHOCRAGKYZEEW-QWHCGFSZSA-N 319.367 3.527 0 40 DHAB Cc1nc(N)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1 95629730 IHGVAVLSTPCCJP-UHFFFAOYSA-N 301.337 3.936 0 40 DHAB in-vitro C[C@@H](N[C@H]1COCC[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 95951576 SRTUKJZRWWXNMC-RDMFCOIFSA-N 323.436 3.571 0 40 DHAB Fc1ccc(Cc2nc3nccc(-c4cccs4)n3n2)cc1 96345321 YRNHAJTWYNCZJA-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)c2ccccc2N1 96424002 HQLXAYJXDOREEK-LLVKDONJSA-N 301.777 3.586 0 40 DHAB CCC(=O)N1CC[C@@H](N[C@@H](C)c2cc3ccccc3s2)C1 188156513 BMHLVSKIGLAEOX-GXTWGEPZSA-N 302.443 3.563 0 40 DHAB CN(CCNC(=O)CCc1ccccc1Cl)c1ccccc1 220016564 JIINCXUPWHVZFJ-UHFFFAOYSA-N 316.832 3.525 0 40 DHAB Cc1ccc(SCC(=O)NCCSC2CCCC2)cc1 224016185 IXGNUVOLEVBIRX-UHFFFAOYSA-N 309.500 3.879 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2C)cc1 224500777 XNSCEMCDYPPBLY-OAHLLOKOSA-N 317.454 3.738 0 40 DHAB Cc1cc(NC(=O)C(C)(C)Br)ccc1OC(C)C 225595348 ZHHOVIJFXBDXGQ-UHFFFAOYSA-N 314.223 3.894 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c(C)n1 225883138 MGFVQPZMMILDPH-QGZVFWFLSA-N 308.422 3.569 0 40 DHAB Cc1cnc(C2(C)CCN(C(=O)c3ccsc3)CC2)s1 257340829 ZHQVAJDLUXQSEN-UHFFFAOYSA-N 306.456 3.707 0 40 DHAB Oc1nc(SCCOc2ccccc2)nc2sccc12 408597821 ACBQOEMJCABLHE-UHFFFAOYSA-N 304.396 3.568 0 40 DHAB CC(=O)Nc1ccccc1SCc1ccc(C(=O)O)cc1 409181801 FDWNLYWJCURTPM-UHFFFAOYSA-N 301.367 3.636 0 40 DHAB C[C@H]1C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2Cc2ccccc21 209310 KGUJICJKGOBPND-MEDUHNTESA-N 307.349 3.589 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1 338379 FAPSUDIRVMTABK-UHFFFAOYSA-N 323.421 3.884 0 40 DHAB COc1c(Cl)cc(C(=O)Nc2cccc(C)n2)cc1Cl 350618 SJOSHPPZZPCNSW-UHFFFAOYSA-N 311.168 3.958 0 40 DHAB COc1cccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)c1 418498 YKEGFOUOEGZTIL-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB O=S(=O)(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccccc1 1595682 LZUZNLKBDZYINO-DLBZAZTESA-N 315.438 3.691 0 40 DHAB CCOc1ccccc1C(=O)CCCC1OCC(C)(C)CO1 2518103 FALSBGJLRCITLS-UHFFFAOYSA-N 306.402 3.837 0 40 DHAB COc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 2591030 HCSQOCQSLRYMCE-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c1 2797835 OSKMACMDQIMSHZ-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB N[P@@](=O)(OCC(F)(F)F)Oc1cccc2ccccc12 3203056 ALSXCSXMEYZOQZ-HXUWFJFHSA-N 305.192 3.864 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2)c(Cl)c1 3296542 WIOHRGGOHZUWHD-UHFFFAOYSA-N 302.805 3.719 0 40 DHAB CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)cc1C 3553146 GNCJOQGXYIVLHQ-UHFFFAOYSA-N 303.383 3.794 0 40 DHAB O=C(Nc1nncs1)/C(=C/c1ccccc1)c1ccccc1 4704382 SLDXOTVJQIKMCA-RVDMUPIBSA-N 307.378 3.717 0 40 DHAB COc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5557287 UCKYZDAPEFGAKH-QPJJXVBHSA-N 311.425 3.793 0 40 DHAB CC1=C[C@H]2N(C=C1)C(c1ccccc1)=NON2c1cc(C)ccn1 5579843 YASOQPWYLKAOBO-SFHVURJKSA-N 318.380 3.605 0 40 DHAB CCCCn1c(S)nc2sc3c(c2c1=O)CCCCC3 5690439 ZYHKBPKEFYXARM-UHFFFAOYSA-N 308.472 3.816 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 6455339 GNUQLAUHEYANBI-BBWFWOEESA-N 305.462 3.528 0 40 DHAB CCCCNc1nc2ccccc2c2nc(-c3cccnc3)nn12 6805418 YJLNKMRJUMYNFB-UHFFFAOYSA-N 318.384 3.552 0 40 DHAB CCN(CC)C(=S)SCc1nnc(-c2ccccc2)o1 7006557 HPEWGCSFTHELOH-UHFFFAOYSA-N 307.444 3.597 0 40 DHAB COc1cc(CCC(=O)Nc2ccc(F)cc2C)cc(OC)c1 7962283 UDWGIWDXRZNJRF-UHFFFAOYSA-N 317.360 3.723 0 40 DHAB Cc1cc(=O)oc2cc(OC(=O)c3cc(F)cc(F)c3)ccc12 7970873 CJCBXNOGUFRUSF-UHFFFAOYSA-N 316.259 3.599 0 40 DHAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1ccc(F)cc1 8532352 UBAKZXKLIZCUSY-NSHDSACASA-N 322.330 3.563 0 40 DHAB Cc1nc(=S)[nH]c(C)c1CCC(=O)NC1CCCCCC1 9512499 OXIJICZXBFIEGA-UHFFFAOYSA-N 307.463 3.528 0 40 DHAB O=C(NCCSCc1ccccc1)NCc1ccc(F)cc1 9879955 MQNOIQCTTFNGNI-UHFFFAOYSA-N 318.417 3.558 0 40 DHAB C[C@@H]1CCc2c(C(=O)Nc3ccccc3C(=O)O)csc2C1 11689778 DDRZFSOXBRPLMC-SNVBAGLBSA-N 315.394 3.823 0 40 DHAB Cc1cc(Cl)ccc1OC[C@@H](O)CSc1ccccn1 11692559 DQUPIUHIJRMPOI-CYBMUJFWSA-N 309.818 3.575 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2ccccc2OC(C)C)c1 12138529 DQXDTUMBENHUME-UHFFFAOYSA-N 312.369 3.685 0 40 DHAB O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12221912 VENRGQBLEHEOOB-KRWDZBQOSA-N 323.371 3.608 0 40 DHAB COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 12222601 AWCDBPOHAKXSBK-QKLQHJQFSA-N 324.424 3.522 0 40 DHAB Cc1ccc(-c2cc(CNC(=O)Cc3ccccc3)no2)cc1 12235588 MMEZRDLSSXCDBD-UHFFFAOYSA-N 306.365 3.509 0 40 DHAB COc1ccc(C)cc1NC(=O)CN(C)[C@H](C)c1cccs1 14109043 VGTPHBRTTZARGH-CYBMUJFWSA-N 318.442 3.697 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3cc4ccccc4[nH]3)cnc21 16106695 JUVHRFGWRXVKBR-UHFFFAOYSA-N 319.368 3.746 0 40 DHAB Cc1nc2ccccc2nc1-c1nnc(-c2ccc(O)cc2)s1 16265695 WLBKFKQWAKEGOD-UHFFFAOYSA-N 320.377 3.829 0 40 DHAB CN(CCNC(=O)Nc1ccc(Cl)cc1)c1ccccc1 18179491 AADMKXZEKJGLKJ-UHFFFAOYSA-N 303.793 3.598 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NCc2cccc(C)c2)cc1 20458608 DZNVKUDGDFLENY-CQSZACIVSA-N 315.438 3.801 0 40 DHAB C[C@@H]1CCc2onc(C(=O)Nc3nc4ccccc4s3)c2C1 20572163 ITKDQJDNYVTETI-SECBINFHSA-N 313.382 3.661 0 40 DHAB Cc1ccc(NCC(=O)NCc2ccc(Cl)cc2)c(F)c1 21888866 DGMVSPMICOSIBP-UHFFFAOYSA-N 306.768 3.516 0 40 DHAB CCc1nc(COC(=O)c2ccc3ncsc3c2)cs1 22739864 MWIRPFNEQOXQTB-UHFFFAOYSA-N 304.396 3.672 0 40 DHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 23488635 BDHHGHNPQNFLPH-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(F)cc2F)s1 27926285 VZWKWEDSWILRKA-UHFFFAOYSA-N 324.352 3.501 0 40 DHAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 28580307 WJLZXGHXSIZQRO-UHFFFAOYSA-N 303.427 3.514 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1 29508951 KXXKNSBSQJBFQU-CYBMUJFWSA-N 324.808 3.678 0 40 DHAB COc1ccc(CCC(=O)NC[C@@H]2CCCc3ccccc32)cc1 30894635 COGUUHHJSXSMNQ-SFHVURJKSA-N 323.436 3.864 0 40 DHAB Cc1nc(OCC(=O)Nc2c(C)cccc2C)c2ccccc2n1 33287277 CAMHCCXNMLLQAO-UHFFFAOYSA-N 321.380 3.573 0 40 DHAB Cc1ccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)cc1C 36635446 LJEVBRVFXBFYJK-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB FC(F)(F)[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 40465817 ZZVAQRYGVNHJPD-JTQLQIEISA-N 317.336 3.572 0 40 DHAB COc1cccc(OCC(=O)NCc2ccc3ccccc3c2)c1 41704288 LZMBVOJMIAMTFV-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB CC(=O)c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1 42754638 FVYOSRVIFOYFTP-MRXNPFEDSA-N 310.353 3.535 0 40 DHAB Cc1nc(Oc2ccc(Cl)c(Cl)c2)c2cnn(C)c2n1 48607751 DGWWVTCPHWBZGE-UHFFFAOYSA-N 309.156 3.771 0 40 DHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1cccnc1 49544959 IQZIIIAXLOWTAY-UHFFFAOYSA-N 312.398 3.534 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccn(Cc3ccccn3)n2)C1(C)C 58418168 MIVOLHLQUXJTEM-NVXWUHKLSA-N 324.428 3.503 0 40 DHAB COc1ccc(C(=O)CSc2ccccc2C)c(OC)c1 59930277 OCEMGEMGYVCAIA-UHFFFAOYSA-N 302.395 3.987 0 40 DHAB COc1ccccc1-c1cc(NC(=O)c2sccc2C)[nH]n1 63864735 MHCOACLVNLSYAM-UHFFFAOYSA-N 313.382 3.708 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)Cc1ccnc(Cl)c1 65548348 JYTKMVXXQHQVHO-UHFFFAOYSA-N 316.209 3.503 0 40 DHAB CC[C@@H](C(=O)N[C@@H](C)Cc1ccccc1C)c1c(C)noc1C 65608471 HXRYVWALFLLKCE-SUMWQHHRSA-N 314.429 3.841 0 40 DHAB CCSc1ccc(C(=O)N(CC(F)(F)F)C(C)C)cn1 68670552 SDBDSOJFISVECR-UHFFFAOYSA-N 306.353 3.607 0 40 DHAB CCOc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3ccccc32)cc1 71499469 SMJWXIIHLJANEI-VOMSXAGXSA-N 323.392 3.913 0 40 DHAB CC(C)N1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214497 AFQONVVXEXFGSM-OAHLLOKOSA-N 319.449 3.998 0 40 DHAB Cc1cc(NC(=O)c2cc(-c3cccs3)cs2)n(C)n1 72243205 QOZDWPGSAFTPEV-UHFFFAOYSA-N 303.412 3.771 0 40 DHAB CCc1cc(N)cc2nc(-c3cncc(Br)c3)oc12 73642626 BFNLHCRZISEYFA-UHFFFAOYSA-N 318.174 3.797 0 40 DHAB Cc1nc(CCNC(=O)C[C@H](C)c2ccc(F)cc2F)cs1 89709086 JJXRPRPCFQJUCV-JTQLQIEISA-N 324.396 3.582 0 40 DHAB CC[C@@H]1c2cccn2CCN1C(=O)Cn1c(C)cc2ccccc21 95450059 DGPJRASHKLKQFN-QGZVFWFLSA-N 321.424 3.745 0 40 DHAB CSCc1cc(NC(=O)NCc2ccon2)ccc1Cl 95963205 FDGNAJLOESLOLG-UHFFFAOYSA-N 311.794 3.513 0 40 DHAB COC[C@@](C)(NCc1ccc(-n2cccn2)cc1)c1ccccc1 96013791 PWCVXWKETFGQHO-HXUWFJFHSA-N 321.424 3.524 0 40 DHAB Fc1ccccc1N1CCC2(CC1)C[C@@H](c1cccnc1)CO2 96220311 UANMSQMXOHJKQK-MRXNPFEDSA-N 312.388 3.764 0 40 DHAB CCc1cnc(CN(C)C(=O)N[C@H](C)c2cc(C)oc2C)s1 96447321 LDBUHGFGDPXJSX-LLVKDONJSA-N 321.446 3.818 0 40 DHAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)CSC(C)(C)C)C1 96479107 YXAPHSUDXGTWLZ-PJHJGJPPSA-N 305.553 3.576 0 40 DHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113950712 TWZNQAAHFWEOAF-AVRGHOLYSA-N 307.821 3.802 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 195530390 OOARVRYCQMGAJW-LEXZLQQCSA-N 319.470 3.863 0 40 DHAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1 214359119 PUJFSJUBKFIDCO-RIYZIHGNSA-N 317.341 3.964 0 40 DHAB Fc1ccc(CSc2nnc(C(F)(F)F)[nH]2)c(Cl)c1 216860854 UCWFLEQDKDRCRS-UHFFFAOYSA-N 311.691 3.908 0 40 DHAB O=C(COc1cccc2c1CCCC2)Nc1ccc(F)c(F)c1 223254822 AKQGGAARQXJNRA-UHFFFAOYSA-N 317.335 3.861 0 40 DHAB Cc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 224065632 XOJDLNRNRZZBJI-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB CCOCc1cc(C(=O)NCCC2=CCCCC2)ccc1OC 224404822 NHZSCQXOJWAVIW-UHFFFAOYSA-N 317.429 3.852 0 40 DHAB COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(C)c1 225587403 YXOGCYHUOIMDMO-OAHLLOKOSA-N 313.397 3.509 0 40 DHAB S=C(NCCCSCc1ccccc1)Nc1cccnc1 225599365 NUNSLRBGLLJXDU-UHFFFAOYSA-N 317.483 3.692 0 40 DHAB CC(C)n1c(Cl)nc2cc(C(=O)NCc3ccco3)ccc21 225988329 JWVBHHDYXDWGNZ-UHFFFAOYSA-N 317.776 3.794 0 40 DHAB CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[C@H](C(C)C)O2 257203462 AQDZWHOQUOEUST-RTBURBONSA-N 315.457 3.986 0 40 DHAB CC(C)C[C@H](c1nc(CC2=CCCC2)no1)N1CCCCC1=O 273776176 RUYJARNCVRLKMZ-OAHLLOKOSA-N 317.433 3.822 0 40 DHAB C[C@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(C)(C)C 523714519 HJUXWAOBPZVPFA-SECBINFHSA-N 320.414 3.688 0 40 DHAB O=C(O)CC1(CN2CCC[C@H]2c2nc3ccccc3s2)CC1 568060829 PPJFPOHSRFEUEG-ZDUSSCGKSA-N 316.426 3.688 0 40 DHAB Cc1ccc(Cl)c(OCC2(O)CCN(C3CCCC3)CC2)c1 585281726 QGYPZUFBGYYGDJ-UHFFFAOYSA-N 323.864 3.797 0 40 DHAB Cc1cccc(O[C@@H]2CCC[C@H](NC3CCCCCC3)[C@H]2O)c1 585289654 UCVJHTBFRPSJBL-XUVXKRRUSA-N 317.473 3.968 0 40 DHAB O=C(O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 1857794505 QKLWYFZMEMBHFA-UHFFFAOYSA-N 309.300 3.725 0 40 DHAB Cc1nc(-n2nnc3ccccc32)c2c3c(sc2n1)CCCC3 81268 FBJFTPMVNFIJDD-UHFFFAOYSA-N 321.409 3.612 0 40 DHAB CCC(CC)(NS(=O)(=O)c1ccccc1)c1ccccc1 90947 IGVXIOANTKVJSG-UHFFFAOYSA-N 303.427 3.680 0 40 DHAB COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1 137506 OVFMMJNKICPJJH-UHFFFAOYSA-N 304.777 3.713 0 40 DHAB in-vitro CCc1ccc(OC(=O)/C=C/c2ccc(OC)cc2OC)cc1 147506 JWVUHSFRFXZXDR-XYOKQWHBSA-N 312.365 3.885 0 40 DHAB c1cc2cc3c(cc2o1)OC[C@H]1c2cc4c(cc2O[C@@H]31)OCO4 1583485 VZDPNKZCXYBWLM-SGTLLEGYSA-N 308.289 3.771 0 40 DHAB biogenic c1ccc(CN2CC[C@H](CNc3ncnc4ccccc34)C2)cc1 1672561 UDUVTWVITKQZKA-QGZVFWFLSA-N 318.424 3.564 0 40 DHAB in-vitro Cc1cccc(C)c1NC(=O)c1ccn(COc2ccccc2)n1 2797714 JYNUDLHHQHTQIN-UHFFFAOYSA-N 321.380 3.789 0 40 DHAB O=C(COC(=O)C1CCCCC1)Nc1ccc2ccccc2c1 3313941 LIIBDTDXJYCMJQ-UHFFFAOYSA-N 311.381 3.902 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)cs2)c1 3413591 IXZGMCGHPOBUKR-NSHDSACASA-N 320.439 3.773 0 40 DHAB CCOC(=O)c1sc(NC2CCCC2)nc1C(F)(F)F 4294216 JNWUSHMGBDNDDC-UHFFFAOYSA-N 308.325 3.693 0 40 DHAB FC(F)(F)c1cccc(NC(=S)NCc2cccnc2)c1 4307121 ITTFQXBSPARXEP-UHFFFAOYSA-N 311.332 3.587 0 40 DHAB Cc1cccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)c1 4540226 DHEZWBNAIOZJBK-AATRIKPKSA-N 319.393 3.727 0 40 DHAB Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1F 4852732 TUUPFRMOZOQJLW-YJBOKZPZSA-N 312.344 3.904 0 40 DHAB CN1c2ccccc2C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 6831100 YIYWLKZMRODZNS-CQSZACIVSA-N 307.180 3.872 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2OC)cc1F 7920234 CJPSYGBSKOAKRD-RMKNXTFCSA-N 315.344 3.803 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 8071695 UWVHSZPMLFRHRU-UHFFFAOYSA-N 302.305 3.646 0 40 DHAB Cc1cc2oc(=O)cc(CSC3=NCCS3)c2cc1C 8329351 OHZUZUOLDFNVOL-UHFFFAOYSA-N 305.424 3.746 0 40 DHAB Fc1ccccc1-c1noc(-c2cc(-c3cccs3)[nH]n2)n1 9002121 ZGDSTHITNAWQPT-UHFFFAOYSA-N 312.329 3.994 0 40 DHAB CCn1nccc1C(=O)Nc1ccccc1Oc1ccccc1 11696016 KSCNTHGMBVWXQK-UHFFFAOYSA-N 307.353 3.948 0 40 DHAB Cc1ccccc1NC(=O)CSc1nc2ccccc2nc1C 13001104 NHKAUWZZHDQJQB-UHFFFAOYSA-N 323.421 3.977 0 40 DHAB O=C(NC1CC1)[C@@H](Oc1cccc(Cl)c1)c1ccc(F)cc1 14073478 AEXSYFWINSSVAU-INIZCTEOSA-N 319.763 3.878 0 40 DHAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 15388868 ILXWXBAHLYRKTR-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB Cc1nn(C(=O)c2ccccc2Cl)c2nc3ccccc3nc12 16266388 GXXBAWSSUKLQTI-UHFFFAOYSA-N 322.755 3.630 0 40 DHAB COc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 18212557 MWRYNUOPXRCBLL-OAHLLOKOSA-N 323.436 3.994 0 40 DHAB Cc1cccc(-c2nn3c(O)cc(-c4ccncc4)nc3c2C)c1 19235281 QBWVINHVQQIZFK-UHFFFAOYSA-N 316.364 3.781 0 40 DHAB COc1ccc(SCC(=O)N(C)C2CCCCC2)cc1OC 20048377 IZKXIIQJXYJKBS-UHFFFAOYSA-N 323.458 3.587 0 40 DHAB CCOc1cc(CO)ccc1OCc1ccc(F)cc1Cl 20545604 HYKLZWMVZWTUKH-UHFFFAOYSA-N 310.752 3.949 0 40 DHAB COc1ccc(-c2ccc3c(O)n(-c4ccccc4)nc3n2)cc1 20733152 DPBOGGYUTDAFKD-UHFFFAOYSA-N 317.348 3.802 0 40 DHAB Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 21509758 ZOSVBLRTLQAVFJ-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB Cn1cc(/C=C/C(=O)OCc2ccc(-c3ccccc3)cc2)cn1 24332632 OYTQVFMTNWOFCZ-FMIVXFBMSA-N 318.376 3.844 0 40 DHAB O=C(COc1ccc(F)cc1F)Nc1nc2ccccc2s1 24538232 UBSFWJNHRUSOAK-UHFFFAOYSA-N 320.320 3.592 0 40 DHAB COc1cc(F)ccc1NC(=O)CCCOc1ccccc1 25309612 ULEVPZNGIXNFJV-UHFFFAOYSA-N 303.333 3.632 0 40 DHAB O=C(Cc1noc2ccccc12)N(Cc1ccccc1F)C1CC1 27251196 UWXLBYCEUJFQEK-UHFFFAOYSA-N 324.355 3.701 0 40 DHAB Cc1ccc(C)c(-c2csc(CCN3CCCC3=O)n2)c1 30447711 CCXHRWKRJWJHQK-UHFFFAOYSA-N 300.427 3.592 0 40 DHAB CCOc1ccc(CN(C)C(=O)c2cc(C)oc2C)cc1OC 31196742 XRZYZSRAXHPDPP-UHFFFAOYSA-N 317.385 3.576 0 40 DHAB O=c1[nH]cnc2c1oc1nc(C3CCCCC3)c3c(c12)CCC3 31810975 JMLCYRQBHUWREA-UHFFFAOYSA-N 309.369 3.601 0 40 DHAB c1cnn(-c2ccc(COc3ccc(-c4nnco4)cc3)cc2)c1 32893078 UGQXJPIADIFDMB-UHFFFAOYSA-N 318.336 3.501 0 40 DHAB Fc1ccc(Cl)cc1-c1nnc2sc(-c3ccco3)nn12 36367110 PKPXBRLYTBTEAO-UHFFFAOYSA-N 320.736 3.905 0 40 DHAB Cc1ccccc1NC(=O)NCCCc1ccc(N(C)C)cc1 38586028 MPZOVQUGJZRKRH-UHFFFAOYSA-N 311.429 3.815 0 40 DHAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)[nH]n1 40062915 LYMUTGZCGDZZIV-UHFFFAOYSA-N 309.822 3.664 0 40 DHAB CCC[C@@H](NC(=O)CSCc1ccncc1)c1ccccc1 40152587 JBXWWJOMHDSXTB-QGZVFWFLSA-N 314.454 3.972 0 40 DHAB Cc1cccc(CS(=O)(=O)Cc2nc3ccccc3s2)c1 40496855 YLJXUOYCOOBFQG-UHFFFAOYSA-N 317.435 3.720 0 40 DHAB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 42646501 RNYGXPYBSMYTOW-HNNXBMFYSA-N 324.424 3.668 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)C2CCCCC2)c1 45720525 SGOLEGTXMKPGDP-CYBMUJFWSA-N 317.433 3.680 0 40 DHAB CCCNC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 45740842 MFBZLZGHCNQXKU-CJNGLKHVSA-N 317.433 3.527 0 40 DHAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1-n1cnnc1 45920700 UWMWQCNNJSHCQV-UHFFFAOYSA-N 320.352 3.701 0 40 DHAB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cc[n+]([O-])cc2)cc1 46674958 XUYDLILOOJABGS-GOSISDBHSA-N 324.424 3.595 0 40 DHAB Cc1noc(CN[C@@H](c2ccccc2)c2cccc(Cl)c2)n1 58264521 VHUDFQCTFXUTOT-KRWDZBQOSA-N 313.788 3.911 0 40 DHAB CC(C)(c1ccccc1)c1nnc(NC(=O)c2cccnc2)s1 69894021 DQALNHLEUSJUTE-UHFFFAOYSA-N 324.409 3.511 0 40 DHAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2N)cc1Cl 70462850 XAFGLDFECGXNOW-UHFFFAOYSA-N 304.777 3.800 0 40 DHAB CC[C@H](OC)C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 71839126 RVJFSNHRQCPEGV-KGLIPLIRSA-N 318.442 3.775 0 40 DHAB COc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1F 72331699 BEUUOECKWZXGSC-UHFFFAOYSA-N 311.715 3.557 0 40 DHAB COc1ccccc1N(C)Cc1nnc(-c2ccc(F)cc2)o1 72578978 PTMIGZDSANIAPV-UHFFFAOYSA-N 313.332 3.521 0 40 DHAB C[C@@H](NCCc1ccccc1F)c1ccccc1-n1cccn1 89909872 SVBCNGZEUQIXAE-OAHLLOKOSA-N 309.388 3.905 0 40 DHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccncc1Cl 91455291 DZVZXRXBMATZNB-MRVPVSSYSA-N 306.715 3.538 0 40 DHAB CC(C)C[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccccn1 95420065 BQTNLPVZWJHXBP-LJQANCHMSA-N 324.472 3.954 0 40 DHAB COc1cccc([C@@H]2C[C@H]2C(=O)NC(C)(C)C2CCCC2)c1 95978725 IMXGDNFUYVYFJJ-DLBZAZTESA-N 301.430 3.884 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 113954820 WRMMKKLGHXNWQL-HZMVEIRTSA-N 301.430 3.684 0 40 DHAB c1ccc([C@@H]2OCCC[C@@H]2c2nc(-c3ccncc3)no2)cc1 193199409 BUMJUSRMOPUOEP-HOTGVXAUSA-N 307.353 3.767 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1 223280445 OTORXPWUXPPRKN-OAHLLOKOSA-N 317.454 3.738 0 40 DHAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(C)cc2)cc1 224578070 VKURHOARWLQFGS-UHFFFAOYSA-N 319.426 3.609 0 40 DHAB O=C(NCc1cccc(CN2CCCCC2)c1)Nc1ccccc1 224644143 MKMKQOSTZMULDO-UHFFFAOYSA-N 323.440 3.994 0 40 DHAB Fc1ccc(NC(=S)NCCCOC2CCCC2)cc1F 225619890 ACEQPBUYNHIBCR-UHFFFAOYSA-N 314.401 3.601 0 40 DHAB CC(C)(C)OC(=O)NC[C@@H]1CCCC(=O)[C@@H]1c1ccccc1 225751095 QRGRWLRFDOFXKK-GOEBONIOSA-N 303.402 3.664 0 40 DHAB COc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1 408906594 IBYDMDLNCLYUPJ-UHFFFAOYSA-N 315.438 3.667 0 40 DHAB O=C(NCc1cncc(C2CC2)c1)Nc1ccccc1Cl 575620087 KEYXAOYIWXKSLC-UHFFFAOYSA-N 301.777 3.934 0 40 DHAB CCc1ccc(NC(=O)[C@H](N)c2c(F)cccc2F)cc1CC 582492861 TZCYNIQHECBSLD-QGZVFWFLSA-N 318.367 3.728 0 40 DHAB CCSc1nc2c(c(=O)[nH]1)[C@@](C)(CC)Cc1ccccc1-2 1407708 QHAUJVXCIDPJRV-KRWDZBQOSA-N 300.427 3.773 0 40 DHAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 3151534 WMTPGFSIVANGDV-UHFFFAOYSA-N 314.410 3.838 0 40 DHAB CSc1ncccc1C(=O)N[C@@H](C)CCc1ccccc1 3448420 KIPHVPZAMSRTGZ-ZDUSSCGKSA-N 300.427 3.555 0 40 DHAB Cc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)c(C)c1 3635905 YHBAVZFXXPGNOE-HNNXBMFYSA-N 312.394 3.941 0 40 DHAB Clc1nc(CN2CCCC2)nc2sc3c(c12)CCCC3 3887559 GSWYONCRUIWTTH-UHFFFAOYSA-N 307.850 3.819 0 40 DHAB Cc1ccsc1[C@H]1CC(=O)Oc2c1c(=O)oc1ccccc21 4754188 QIQLXXXXSUJURE-NSHDSACASA-N 312.346 3.604 0 40 DHAB COc1ccc2[nH]c(C)c(C(=O)CN3[C@H](C)CCC[C@H]3C)c2c1 5119003 QUHNCOFYZXPAOI-CHWSQXEVSA-N 314.429 3.931 0 40 DHAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCCC1 5392394 NFAWLBJOATZPDN-UHFFFAOYSA-N 323.421 3.837 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1 5786731 IIPGDFWPFDDLNU-UHFFFAOYSA-N 317.410 3.596 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccccn2)N1c1ccccc1 7884386 BTOFZKVNWFODLG-SFHVURJKSA-N 301.349 3.853 0 40 DHAB CCc1ccccc1NC(=O)c1cnn(-c2ccccn2)c1CC 8715216 DTYFFHIDFRMYEN-UHFFFAOYSA-N 320.396 3.644 0 40 DHAB CCc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1CC 8715285 QXXBUISMJQKPAU-UHFFFAOYSA-N 320.396 3.644 0 40 DHAB Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4C)n3)cc2c1 9215725 WIQXCERTFIELLS-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1cccc(Cl)c1 9232869 RCCAMDAESPSZNB-GOEBONIOSA-N 307.821 3.761 0 40 DHAB biogenic O=C(CSc1ncccc1Cl)N1CCCc2ccccc21 11033354 SDRWIPZWJTYMDN-UHFFFAOYSA-N 318.829 3.807 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nccn1C 12569915 NTVYUXFMOYMBRT-GFCCVEGCSA-N 303.431 3.664 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 16086500 RJBZGEXHHRYUGC-SNVBAGLBSA-N 313.781 3.519 0 40 DHAB CCCc1cc([C@@H]2CCCCCN2Cc2cn(C)nc2C)no1 19525415 MIWOYGNASMJNJY-SFHVURJKSA-N 316.449 3.786 0 40 DHAB COc1ccc2c(ccn2CC(=O)Nc2ccc3cc[nH]c3c2)c1 20732933 KHXBAMKXCRUWRJ-UHFFFAOYSA-N 319.364 3.770 0 40 DHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccccc1 23880432 HEBWBAZKHJXYOE-UHFFFAOYSA-N 315.323 3.704 0 40 DHAB COc1ccc(C)cc1CCNC(=O)C[C@H](C)c1ccccc1 24112511 SHHVZVZRBOUEMP-INIZCTEOSA-N 311.425 3.856 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 26502166 JUGYTNOWLAPCFP-RYUDHWBXSA-N 305.324 3.610 0 40 DHAB C[C@@H]1CCc2sc(C(=O)N[C@H](C)c3ccccn3)cc2C1 28780161 QPLWGYZUPXUCSR-VXGBXAGGSA-N 300.427 3.759 0 40 DHAB Clc1cccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)c1 35442891 AZHUSTCPKRGEMA-ZDUSSCGKSA-N 312.804 3.601 0 40 DHAB biogenic,in-vitro CCCOc1ccc(C(=O)N2CCOC23CCCCC3)cc1 35671110 HQHWWYAITHMFEU-UHFFFAOYSA-N 303.402 3.608 0 40 DHAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 40069998 SOCQHZVPVRJVCI-GBIKHYSHSA-N 314.351 3.963 0 40 DHAB C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)s1 40074650 MRLUSWTWBNCISH-SNVBAGLBSA-N 308.834 3.959 0 40 DHAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(F)c(Cl)c1 48962818 GNOFPCQGONMIJP-LURJTMIESA-N 301.152 3.678 0 40 DHAB C[C@H]1c2[nH]c3ccccc3c2CCN1Cc1noc(C(C)(C)C)n1 53264941 LVAXIFFBINMOGL-LBPRGKRZSA-N 324.428 3.968 0 40 DHAB CCCC[C@H](CC)CNC(=O)CCc1ccc2c(c1)OCO2 53674980 JMHAIRZSORCOCJ-AWEZNQCLSA-N 305.418 3.681 0 40 DHAB CC[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1cccs1 55966893 LOPMUUCYWDDBCZ-ZDUSSCGKSA-N 317.410 3.791 0 40 DHAB Cc1ccc(CC(=O)NCc2cc(-c3ccccc3)no2)s1 57212164 VIZBBRHQFFDHMH-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB COc1c(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c(C)nn1C 58307321 QZJJLMYZSXGJJX-MRXNPFEDSA-N 319.424 3.753 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)C1=NO[C@H](c2ccccc2)C1 59423547 KPEFFKBCWXNPFZ-IBGZPJMESA-N 322.408 3.941 0 40 DHAB Cc1nn(C)c2c1[C@H](c1ccc3ncccc3c1)SCC(O)=N2 61718297 AYNIFBNNULUBJI-INIZCTEOSA-N 324.409 3.701 0 40 DHAB Cc1cccc2c1ccn2CC(=O)Nc1nnc(C(C)C)s1 61720494 UZEUFARGEKOVEL-UHFFFAOYSA-N 314.414 3.563 0 40 DHAB CC(C)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 69661603 MRYXPBGQGRIWTE-UHFFFAOYSA-N 310.279 3.610 0 40 DHAB COc1cc(F)ccc1-c1nccc(CCC(F)(F)F)n1 71751438 NVHOGKFYHUVXRX-UHFFFAOYSA-N 300.255 3.786 0 40 DHAB Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cnc1N(C)C 72218648 UOIKZQHDRFPQNM-HNNXBMFYSA-N 319.449 3.918 0 40 DHAB Cc1nc(-c2cccs2)ccc1C(=O)NCCc1ccco1 73328179 PQFIMTNMZDZPPF-UHFFFAOYSA-N 312.394 3.684 0 40 DHAB COc1cccc(F)c1[C@@H](C)NC(=O)N(C)Cc1ccsc1 76088671 AAKSDZLNUSAJJJ-LLVKDONJSA-N 322.405 3.798 0 40 DHAB CCCCn1nccc1NC(=O)CCc1cc(Cl)cs1 78825548 VHRSQBQUZQAUFO-UHFFFAOYSA-N 311.838 3.969 0 40 DHAB CCn1nnc2cc(C(=O)NCC3CCCCCCC3)ccc21 83840022 PWFUYVIRMIGTRJ-UHFFFAOYSA-N 314.433 3.542 0 40 DHAB CC(C)c1noc(CCN[C@H](C)c2ccc(F)cc2Cl)n1 89577987 YZYRNKDUFYNZQX-SNVBAGLBSA-N 311.788 3.879 0 40 DHAB FC(F)n1ccnc1COc1ccc(-c2cscn2)cc1 95409166 NNNRXQAZQRSROW-UHFFFAOYSA-N 307.325 3.981 0 40 DHAB COc1ccccc1-c1cnn2c(-c3ccccc3O)ccnc12 95479753 OWZOVLATMKRTQT-UHFFFAOYSA-N 317.348 3.778 0 40 DHAB Cc1noc(C(C)C)c1C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 95956158 GMKUJBOXASNPAL-KBPBESRZSA-N 302.349 3.531 0 40 DHAB CC1(C)CCC(=O)c2cc(I)ccc21 96007039 PFMSGNTWSBOOOA-UHFFFAOYSA-N 300.139 3.545 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccsc1)c1ccc(C)s1 96104742 QANIFWOBUSBJSH-DIECRNLCSA-N 307.440 3.635 0 40 DHAB CCOC[C@H]1COCCC12CCN(Cc1ccc(C)s1)CC2 96106393 PVRATHAPZBCMPG-INIZCTEOSA-N 323.502 3.712 0 40 DHAB CCOc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1CO 97011508 XFXZBXDEXPNHSI-QGZVFWFLSA-N 301.361 3.816 0 40 DHAB CC(C)(C)OC(=O)N1CCC(N)(c2cccc(Cl)c2)CC1 98213865 OWSQMSLYJIKODG-UHFFFAOYSA-N 310.825 3.525 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2cccs2)on1)[C@H]1C[C@@H]2CC[C@@H]1C2 101988463 PUSWQNOSDFODDA-FDYHWXHSSA-N 316.426 3.958 0 40 DHAB CC(=O)c1ccccc1OC(=O)c1cccc(Br)c1 113703805 FCJFMWDYAIVJIL-UHFFFAOYSA-N 319.154 3.871 0 40 DHAB COc1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1CO 129336339 GNWCTCKMGOZKTK-NWDGAFQWSA-N 303.324 3.721 0 40 DHAB O=C(O)c1cc(Cl)ccc1-c1cc2ccccc2oc1=O 216935906 CSLHTHSRXUXTFU-UHFFFAOYSA-N 300.697 3.812 0 40 DHAB CCOc1ccc(C(=O)NCC2CCCCC2)cc1OCC 225066344 FXJQIXHNXUDPDJ-UHFFFAOYSA-N 305.418 3.794 0 40 DHAB Cc1c(Cl)cccc1C[C@H](OCc1ccccc1)C(=O)O 225072891 IUXNKWGUHHAQIO-INIZCTEOSA-N 304.773 3.861 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c(C)n1 225902366 COVGVBBLCZPRQP-SFHVURJKSA-N 320.433 3.713 0 40 DHAB CNc1cc([C@H]2CCCN(C(=O)c3sccc3C)C2)ccn1 257212524 CDVIZTOMLNJKFP-AWEZNQCLSA-N 315.442 3.513 0 40 DHAB c1ccc2c(c1)CCC[C@]21C[C@H]1c1nc(-c2cncs2)no1 576219641 OUGSHDLVWCTCEE-GUYCJALGSA-N 309.394 3.955 0 40 DHAB C[C@H](C1CC1)N(C(=O)c1nc(Cl)sc1Cl)C1CC1 585091022 MMPHYFMSRHFLLN-ZCFIWIBFSA-N 305.230 3.853 0 40 DHAB COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(N)c12 34676 OLPPTAHUHAQQFE-UHFFFAOYSA-N 312.394 3.564 0 40 DHAB COc1ccc(C(=O)n2c(-c3ccco3)nc3ccccc32)cc1 205669 FDVMFTDCISRZTK-UHFFFAOYSA-N 318.332 3.993 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 243353 QVLJKZVKALSWTG-UHFFFAOYSA-N 305.175 3.659 0 40 DHAB CCc1cccc(NC(=O)Cn2cc(C=O)c3ccccc32)c1 264098 AZZHMNPMHVCPJV-UHFFFAOYSA-N 306.365 3.655 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1OC 496574 KDWAZCXESNUAQZ-WONIAPNHSA-N 311.381 3.594 0 40 DHAB Cc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)c(C)c1 544692 RBJDJFQVZKCMRN-UHFFFAOYSA-N 321.428 3.669 0 40 DHAB COc1cc(OC)c(-c2nc3ccccc3s2)cc1OC 804904 JOYFHMJAXMRBJM-UHFFFAOYSA-N 301.367 3.989 0 40 DHAB Cc1ccc(N2N[C@@]3(C[C@H](C)CC(C)(C)C3)NC2=S)cc1 1754993 QMRFFSCJFCEJQN-CXAGYDPISA-N 303.475 3.737 0 40 DHAB O=C(COc1ccccc1)Nc1ncc(Cc2ccccc2)s1 2669794 HIGYFCFXKWHEJR-UHFFFAOYSA-N 324.405 3.751 0 40 DHAB COc1ccc2c(CC(=O)N3CCc4ccccc43)coc2c1 3561116 MQZCZRUQFGLEIT-UHFFFAOYSA-N 307.349 3.573 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 4592807 XPZDBBLKGGQCOM-XXHBBNRNSA-N 310.180 3.529 0 40 DHAB N=c1oc2cc(O)ccc2cc1C(=O)Nc1ccc(Cl)cc1 4866106 IZSZNZIHWFFOMM-UHFFFAOYSA-N 314.728 3.524 0 40 DHAB CC[C@@H]1C[C@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CCN(C2)[C@H]13 5499967 GZIPIZQXYGKJCX-GOYGXENFSA-N 324.468 3.947 0 40 DHAB CCCCCCn1c(S)nnc1COc1ccccc1F 6172772 SRDLGBZUQKBYBB-UHFFFAOYSA-N 309.410 3.865 0 40 DHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1C 6355910 XPSYBIYXGAGNCI-IKGGRYGDSA-N 305.462 3.814 0 40 DHAB COc1cc(C(=O)Nc2ccc(C)cc2O)ccc1OC(F)F 6454123 XFIZCTBYRBPSKN-UHFFFAOYSA-N 323.295 3.563 0 40 DHAB CCCCNc1nc(C)nc2sc(C(=O)OCC)c(C)c12 6510339 YSWBUBGDVPKZBK-UHFFFAOYSA-N 307.419 3.697 0 40 DHAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1F 7405558 CVFBHWABHBWGSW-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB O=C(O)c1cc(-c2ccc(F)cc2)nc2onc(-c3ccco3)c12 8342588 YAAMPQFLVMWZNV-UHFFFAOYSA-N 324.267 3.987 0 40 DHAB CC[C@H](C)NC(=O)c1sc(COc2cccc(C)c2)nc1C 9251017 GKKOEKGWTABFSI-LBPRGKRZSA-N 318.442 3.867 0 40 DHAB CCCN(CCC)C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 10383808 XNOVPCDBVNCATK-WFRNDULYSA-N 323.521 3.702 0 40 DHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1F 10925248 MYJHXFFTGUKZPM-UHFFFAOYSA-N 316.307 3.566 0 40 DHAB CCc1ccc(O[C@H](C)C(=O)Nc2onc3c2CCCC3)cc1 11914854 ZPLMMLYSYIOBCZ-GFCCVEGCSA-N 314.385 3.522 0 40 DHAB CCCn1ccnc1SCC(=O)Nc1cccc(Cl)c1 12578035 NSYDVTTYMGYSNI-UHFFFAOYSA-N 309.822 3.677 0 40 DHAB O=C(c1cc2ccccc2cc1O)N1CCc2ccccc2C1 12792448 DRYSTFCDOUIZAB-UHFFFAOYSA-N 303.361 3.744 0 40 DHAB Cc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3ccccc3)ccc12 12881437 JSXXGLCXYDEDSH-ZDUSSCGKSA-N 323.348 3.507 0 40 DHAB CC[C@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccccc3)=NN12 13810724 MIYYOWVPCDXHJW-SJLPKXTDSA-N 308.381 3.975 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 14399267 YGKBXJYGDLDGHH-ZDUSSCGKSA-N 303.789 3.766 0 40 DHAB Cc1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1 14715599 OSEBAQOKYBMXQQ-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB CCCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1 15966987 SSOGQHXQMRLOOS-CQSZACIVSA-N 313.397 3.975 0 40 DHAB CCOc1ccccc1OS(=O)(=O)c1cccc(Cl)c1 16094048 XIIBMLPANZEITN-UHFFFAOYSA-N 312.774 3.506 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1)c1ccc2c(c1)CCCC2 18212543 WURXFKVBHCHIBA-OAHLLOKOSA-N 309.409 3.822 0 40 DHAB Nc1nc(-c2ccc3c(c2)N(Cc2ccccc2)CCO3)cs1 19758967 PMXJQMKEYJGXPW-UHFFFAOYSA-N 323.421 3.791 0 40 DHAB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1 20403318 WJWUSIXQJVLGBD-NSHDSACASA-N 319.430 3.516 0 40 DHAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccccc1 20453739 PQQYTCAYSRZJKX-KSSFIOAISA-N 313.397 3.730 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 21840231 ZGEDTXGNESTJPE-UHFFFAOYSA-N 306.321 3.797 0 40 DHAB Cc1ccccc1OCCCC(=O)Nc1ccccc1N(C)C 23176274 XJMUZOBEDIXPMY-UHFFFAOYSA-N 312.413 3.859 0 40 DHAB Cc1cccc2sc(NC(=O)c3ccc4[nH]cnc4c3)nc12 28835563 LZVAADDDGYLTBH-UHFFFAOYSA-N 308.366 3.733 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)Nc1cnc2ccccc2c1 30706896 WSIOCTFOUNEXBN-AWEZNQCLSA-N 306.365 3.779 0 40 DHAB COc1cccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)c1 32770839 BSUIHKSSQYMJTB-UHFFFAOYSA-N 312.344 3.588 0 40 DHAB Cc1cc(OCC(=O)N2CCOC23CCCCC3)ccc1Cl 35671178 BHUWWZJUGQGEEY-UHFFFAOYSA-N 323.820 3.546 0 40 DHAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(C)c(N)c1 37768697 ASKCMWWHJYNEPF-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2)C1 38849280 LDDQRVBFWFNMDZ-INIZCTEOSA-N 312.388 3.676 0 40 DHAB COc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 40103470 CONHETOMZHDSKO-DGCLKSJQSA-N 306.406 3.712 0 40 DHAB CN(C(=O)Nc1cccc2c1OCCO2)[C@@H]1CCc2ccccc21 56721613 FAAAZPYALIDMKV-MRXNPFEDSA-N 324.380 3.609 0 40 DHAB CCCCCC[C@H](C)NC(=O)N[C@H](C)Cc1ccc(O)cc1 58434804 NJAHOCLFUBJUBM-LSDHHAIUSA-N 306.450 3.981 0 40 DHAB CCn1cc(Nc2nc(C(F)(F)F)nc3ccccc23)cn1 59420476 CNYLZOABNLTGDV-UHFFFAOYSA-N 307.279 3.609 0 40 DHAB CC(C)C[C@H](C)N(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809911 XUCVUCASFWWXQU-JTQLQIEISA-N 319.430 3.505 0 40 DHAB CC(C)[C@@H](CNC(=O)c1ccc2c(c1)COC2)Nc1ccccc1 64655839 CHBGSNFNONEVHH-LJQANCHMSA-N 324.424 3.583 0 40 DHAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2c(C)noc2C)S1 71287590 XPUZHVKAOBOOPX-GFCCVEGCSA-N 306.391 3.661 0 40 DHAB C[C@@H](C1CC1)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 71804870 IYVHTQIAFBJKIT-JTQLQIEISA-N 303.793 3.601 0 40 DHAB CC(C)c1ocnc1C(=O)N1CCCC[C@H]1c1nccs1 72298573 LVYBQGOHGMCBMI-NSHDSACASA-N 305.403 3.622 0 40 DHAB c1cc(OC2CCCC2)cc(-c2nc([C@H]3CCOC3)no2)c1 89780683 PMPRPYMAPMWDNL-ZDUSSCGKSA-N 300.358 3.562 0 40 DHAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccccc1Cl 89895029 DQKOFKBKPIPTGW-MLGOLLRUSA-N 303.789 3.582 0 40 DHAB O=C(c1ccco1)N(CCc1cccs1)Cc1ccoc1 90612274 NLXKSKJWPMQUEN-UHFFFAOYSA-N 301.367 3.819 0 40 DHAB CC1(NC(=O)Nc2ccccc2N2CCCC2=O)CCCCC1 95397926 KFEABIMHLYEHLY-UHFFFAOYSA-N 315.417 3.658 0 40 DHAB O=C(CCSCc1ccccn1)Nc1cc(Cl)ccc1O 95443565 XYDGGVVGAUOGMF-UHFFFAOYSA-N 322.817 3.703 0 40 DHAB Cc1cc(C)c(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)o1 95963921 PPWBOFNRTHXIGZ-NSHDSACASA-N 309.312 3.989 0 40 DHAB CC(=O)N(CCc1nc(Cc2ccccc2)cs1)C(C)C 96009353 MGSNRIACNCMBPF-UHFFFAOYSA-N 302.443 3.533 0 40 DHAB Cc1c(C2CC2)n[nH]c1NC(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1 96407542 INNRUTNEBHZEKG-VHRBIJSZSA-N 305.422 3.518 0 40 DHAB CC(C)(C)OC(=O)Nc1cc(Br)ccc1[N+](=O)[O-] 142966742 ICMYLCQZXHYLHO-UHFFFAOYSA-N 317.139 3.704 0 40 DHAB O=C(COc1cccc2cccnc12)NC1CCCCCCC1 223136690 SUWNHSFSNDAOCV-UHFFFAOYSA-N 312.413 3.843 0 40 DHAB CCc1ccc(CC(=O)NCCOc2cc(C)ccc2C)cc1 224047239 KLRGFWIHLSAJOZ-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB CCOc1ccc(NC(=S)NCCSC(C)(C)C)cc1 225350251 HDHXFXMACRBFAD-UHFFFAOYSA-N 312.504 3.903 0 40 DHAB CC(C)N1CC[C@@H](Cc2ccc(-c3ccnn3C(C)C)nc2)C1 257341754 ZLVYMUJCSCONOQ-KRWDZBQOSA-N 312.461 3.799 0 40 DHAB CC(C)c1nn(C)cc1NC(=O)N(C)[C@H](C)c1ccccc1 280849169 XAUQJIIKSMQNSG-CYBMUJFWSA-N 300.406 3.768 0 40 DHAB CO[C@H]1CN(Cc2ncccc2C)CC[C@@H]1Cc1cccc(C)c1 643913834 JAKXDHRPBSZFEE-CTNGQTDRSA-N 324.468 3.778 0 40 DHAB O[C@H](CNc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 808071510 BWFIHCVEFHTJNC-CYBMUJFWSA-N 322.286 3.992 0 40 DHAB Cc1cccc(C(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)c1 1775969412 QATUXCKWONCPFW-QGZVFWFLSA-N 324.424 3.630 0 40 DHAB CCOc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 38170 GPEFVBWQQBDXEM-QZTJIDSGSA-N 320.396 3.823 0 40 DHAB Cc1onc(-c2ccccc2)c1-c1nc2ccccc2c(=O)o1 97987 UZCAMBONEJACPS-UHFFFAOYSA-N 304.305 3.818 0 40 DHAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1O 1401793 AFZGQCTYSNEGLI-UHFFFAOYSA-N 307.136 3.608 0 40 DHAB O=c1cc(-c2cc3ccccc3o2)c2cc3c(cc2o1)OCO3 2120845 WSRIROFPCJRITG-UHFFFAOYSA-N 306.273 3.935 0 40 DHAB biogenic O=C(Nc1cccnc1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 2186971 PTIZETSPHFSZGB-STQMWFEESA-N 307.180 3.608 0 40 DHAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 2646477 DKBLHVKLAXEBMK-DYVFJYSZSA-N 303.427 3.697 0 40 DHAB CCn1cc(-c2nnc(-c3ccc(OC(F)F)cc3)o2)c(C)n1 2805180 AUPFICHBGVCIGD-UHFFFAOYSA-N 320.299 3.530 0 40 DHAB CCOC(=O)c1cccc(NC(=S)Nc2ccccc2)c1 3072085 AFDFSMBKRYYICZ-UHFFFAOYSA-N 300.383 3.672 0 40 DHAB CCCCC(=O)NCCc1nc(-c2ccc(OC)cc2)cs1 3768005 JMQAUIJQLPMVQK-UHFFFAOYSA-N 318.442 3.668 0 40 DHAB COc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3C)sc2C)cc1 5578397 CAHYKTZJNZQGJH-NOZJJQNGSA-N 302.399 3.722 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(C)cc2)c1 5608830 OVFGIMWZOMNGGQ-PKNBQFBNSA-N 309.365 3.742 0 40 DHAB CC1=NC[C@@H](C)Nc2c1c(=O)n(-c1ccccc1)c1ccccc21 6175730 FWLQUSMXSOWPNL-CYBMUJFWSA-N 317.392 3.614 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(F)cc1 6787717 LKJCBXNHUVIPQA-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 6789065 NQRVVHZAKBVKHX-UHFFFAOYSA-N 319.386 3.742 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 7195847 DXJBXOXMQWPRGV-VXGBXAGGSA-N 318.467 3.910 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccs1 7533957 JTZNIOJIEYFRQB-NSHDSACASA-N 313.378 3.966 0 40 DHAB CC(C)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 7736949 VZMRNNAQYPHJBA-UHFFFAOYSA-N 321.808 3.783 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1F 8259606 BZWPQKUJLMFGNE-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB COc1cc2nc(Cl)nc(N3CCC[C@H](C)C3)c2cc1OC 11756901 DREVHRMGZRFWQO-JTQLQIEISA-N 321.808 3.537 0 40 DHAB O=C(O)c1ccccc1COc1ccc(Br)cc1 11961205 LFDYIGJPTJKEQG-UHFFFAOYSA-N 307.143 3.726 0 40 DHAB O=C1S[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 12289113 FYIKZZKVSJQQTI-ZDUSSCGKSA-N 320.320 3.603 0 40 DHAB CCCN(CCC)S(=O)(=O)c1cc(C)c(OCC)cc1C 12291763 XKWFXLSMEVEDJO-UHFFFAOYSA-N 313.463 3.513 0 40 DHAB O=C(NCCCOC12CC3CC(CC(C3)C1)C2)c1cccs1 12374951 INDZLDAETJDBFK-UHFFFAOYSA-N 319.470 3.853 0 40 DHAB COc1ccc2c(CC(=O)N(C)Cc3ccsc3)coc2c1 14014417 FPOUYYUDTRCRPO-UHFFFAOYSA-N 315.394 3.704 0 40 DHAB Cc1nnc2c3ccccc3nc(Nc3ccc(Cl)cc3)n12 16363472 CZVSMZCQYXWIMS-UHFFFAOYSA-N 309.760 3.983 0 40 DHAB COc1ccc(-c2c[n+](Cc3ccc(F)cc3)c3n2CCC3)cc1 17248580 XPBVJCAQGUOBPY-UHFFFAOYSA-N 323.391 3.585 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC=C(CO)C[C@]34C)[C@@H]1CC[C@@H]2O 17323292 BWYWJEOODYEXFU-RBZZARIASA-N 304.474 3.919 0 40 DHAB COc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 20041313 KRODVNHFWJWRBD-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB Nc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 20343814 XLISHVKGTTYFLR-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1N 20550509 ZKXFJDCWWSKUHN-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CCCCOc1ccc(C(=O)NC(C2CC2)C2CC2)cc1OC 22885848 DVEGBKZKLVCAJH-UHFFFAOYSA-N 317.429 3.793 0 40 DHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc2cn[nH]c12 25712919 LNJOHSILFIWCRK-KRWDZBQOSA-N 322.412 3.659 0 40 DHAB C[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 26754004 GTVDCHOHAGPCCC-CQSZACIVSA-N 322.408 3.569 0 40 DHAB COc1ccccc1N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 26898191 WLNTZVSPHHYZHS-ZDUSSCGKSA-N 306.406 3.507 0 40 DHAB c1cnn(-c2ccc(CSc3ccc4c(c3)OCCO4)cc2)c1 27424241 CLYQTEKWEIXWES-UHFFFAOYSA-N 324.405 3.936 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1cccnc1 30314769 QMCLIEFOOBZPRV-KADSFNECSA-N 300.789 3.968 0 40 DHAB Cc1ccc(CN(C)C(=O)COc2ccccc2Cl)cc1 30856244 AXDBAOILHKVUFF-UHFFFAOYSA-N 303.789 3.686 0 40 DHAB CC(C)CNc1oc(COc2ccc(Cl)cc2)nc1C#N 32675191 PEVSAWUWGQKEOG-UHFFFAOYSA-N 305.765 3.847 0 40 DHAB CC(=O)Nc1cccc(C(=O)N[C@H](c2ccccc2)C(C)C)c1 32744933 MQHSRNCIXVXBCY-SFHVURJKSA-N 310.397 3.772 0 40 DHAB Cc1cccc(Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1C 36674533 GSLHARLQTGTLNV-INIZCTEOSA-N 324.424 3.956 0 40 DHAB CC1=C2C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@H]2OC1=O 38691315 APBWFLZKYHYLIC-QOSLBHJFSA-N 316.441 3.772 0 40 DHAB biogenic Cc1cc(SCC(=O)O)c2cc(C(F)(F)F)ccc2n1 40175521 FQWURVKQPWHFPB-UHFFFAOYSA-N 301.289 3.739 0 40 DHAB NC(=O)Cc1ccc(-c2nc3ccccc3s2)cc1Cl 41127236 NTUFINWMDITQOE-UHFFFAOYSA-N 302.786 3.645 0 40 DHAB c1ccc(-c2nnc(CN(Cc3cccs3)C3CC3)o2)cc1 45006554 OBOKWPXPSHDJMC-UHFFFAOYSA-N 311.410 3.963 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3ccccc32)on1 45305646 KHEWNLPXPMDSOR-JKSUJKDBSA-N 311.385 3.517 0 40 DHAB CCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 47827922 LHQXAAFSTVMNEA-CQSZACIVSA-N 324.424 3.821 0 40 DHAB Cn1nccc1C1CCN(Cc2csc(C(C)(C)C)n2)CC1 58291722 QNZSDYSQYJTPDB-UHFFFAOYSA-N 318.490 3.554 0 40 DHAB CCN(Cc1nc(CC(C)C)no1)Cc1c(F)cccc1F 59409891 VERRSTWWFXWRCS-UHFFFAOYSA-N 309.360 3.568 0 40 DHAB Cc1ccc2c(C)c(C(=O)N[C@@H]3CCCc4c3cnn4C)oc2c1 71195579 OMZVKOIYTCVJAA-OAHLLOKOSA-N 323.396 3.591 0 40 DHAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2)cn1)C1CCC1 72215425 WPKBOKOUBHPWRW-OAHLLOKOSA-N 317.433 3.800 0 40 DHAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(C)o3)o2)cc1 72307918 MNFGDXGJKVHCMT-UHFFFAOYSA-N 310.309 3.698 0 40 DHAB Cc1nnc(SCCCCCCCCCCC(=O)O)n1C 72408197 MHIYYWPYBQLUJF-UHFFFAOYSA-N 313.467 3.811 0 40 DHAB CCCCSc1nnc(SCC2CCOCC2)s1 78808583 RQAILQKZODBDKH-UHFFFAOYSA-N 304.506 3.949 0 40 DHAB OCc1ccc(CN[C@H](c2ccccc2F)C2CCCC2)o1 88765506 CKYOVJSKWXHHOV-SFHVURJKSA-N 303.377 3.932 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccc(F)c2)C1 89212711 MUGCMPJEJWUVKH-CYBMUJFWSA-N 308.397 3.885 0 40 DHAB O=C(N1CC[C@]2(CCOC2)C1)C1(c2cccs2)CCCCC1 89799953 RYAQVPTUUDYTDI-KRWDZBQOSA-N 319.470 3.589 0 40 DHAB O=C(OCCc1cn[nH]c1)c1ccc(-c2ccccc2Cl)o1 89821249 LRXRFYIHCFZCAV-UHFFFAOYSA-N 316.744 3.723 0 40 DHAB Cc1cnc(-c2cccc(NC(=O)Nc3c(C)n[nH]c3C)c2)o1 89869277 OLQHIYWFKNKUMA-UHFFFAOYSA-N 311.345 3.634 0 40 DHAB CCN(CC)c1nc(-c2ccc(F)c(C)c2)c(CC(=O)O)s1 95097140 XJJVNYMYZQDTDP-UHFFFAOYSA-N 322.405 3.731 0 40 DHAB CN(Cc1cc(Cl)cn1C)C(=O)Nc1cccc2[nH]ccc12 95411747 DAMBLDXAMPFZRE-UHFFFAOYSA-N 316.792 3.824 0 40 DHAB Cc1nc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)oc1C 95415063 HCCVBMLVLGTFRT-CYBMUJFWSA-N 315.373 3.715 0 40 DHAB Cc1ccsc1[C@H](C)NCc1ccc(Cn2cncn2)cc1 95419763 FJHXGVKFBKPZKY-AWEZNQCLSA-N 312.442 3.547 0 40 DHAB C[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccsc1 97234238 LATNOJOFZRWJLS-SWLSCSKDSA-N 318.446 3.512 0 40 DHAB c1ccc(Nc2nonc2-c2nnc(-c3ccccc3)o2)cc1 98086441 HKZGTOOSBZHFHG-UHFFFAOYSA-N 305.297 3.530 0 40 DHAB COc1ccc(CN(C)C(=O)c2conc2-c2ccccc2)cc1 225869345 ZEULPHNQUIMOML-UHFFFAOYSA-N 322.364 3.622 0 40 DHAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cn1 225889070 MIKQXRSLESVUEV-KDOFPFPSSA-N 320.433 3.794 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@]2(c3cccc(Cl)c3)O[C@H]2C1 242425595 BQBTXSZGAQQARH-BBRMVZONSA-N 309.793 3.575 0 40 DHAB COC(=O)CCCC(=O)c1cccc(OCc2ccccc2)c1 382709908 XCMWASXCETWHRC-UHFFFAOYSA-N 312.365 3.792 0 40 DHAB CCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc21 409114166 CTSZTAUXARVMAB-PTNGSMBKSA-N 309.365 3.698 0 40 DHAB c1cncc([C@@H]2CCN(Cc3csc(-c4ccco4)n3)C2)c1 573483252 JTNZLKPBIACPDA-CQSZACIVSA-N 311.410 3.788 0 40 DHAB C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 585089501 RYXANGVDFJVWLS-AKWBHNSASA-N 318.779 3.650 0 40 DHAB O=C(N[C@H]1CCC12CCOCC2)c1ccc(Cl)cc1Cl 585406921 DWNGXRBHMGBHOP-ZDUSSCGKSA-N 314.212 3.682 0 40 DHAB COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 167685 QQHWBLMZTJORQM-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 352716 FGENSCRHDKKOPP-RTBURBONSA-N 315.413 3.728 0 40 DHAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C1CC1 489431 DYXAOVSDYQLGGN-UHFFFAOYSA-N 306.317 3.775 0 40 DHAB biogenic CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(OC)cc2)c1 568597 FMQLTTYWUULBMH-FMIVXFBMSA-N 324.380 3.696 0 40 DHAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c1C 1993402 AVHUCRFGLBGTIG-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB O[C@H](CNC1CCCCCC1)COc1cccc2ccccc12 2624412 BQQIGHILYUCELW-GOSISDBHSA-N 313.441 3.892 0 40 DHAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)C1CC1 3135905 SYVSUXSZUYGDTC-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB O=C(/C=C/c1cccc(Cl)c1Cl)OCC(=O)c1ccc[nH]1 3383893 XZZCYIPQDVARRZ-VOTSOKGWSA-N 324.163 3.761 0 40 DHAB CC(=O)c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 3499963 IQMXKYLCYXBOME-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB CCc1ccccc1NC(=O)/C=C/c1cccc(OC)c1OC 3557708 ORYACIRKCRBRHY-OUKQBFOZSA-N 311.381 3.918 0 40 DHAB CCOC(=O)c1cc2ccccc2nc1NC(=O)c1ccccc1 3845394 CEOXKMSZDQPGNN-UHFFFAOYSA-N 320.348 3.664 0 40 DHAB biogenic Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C(C)(C)C 4033054 BTSDOKCGQNGRJS-UHFFFAOYSA-N 308.385 3.689 0 40 DHAB Cc1cccc(-n2nc3c(c2NC(=O)CC(C)C)CSC3)c1 4077351 DBAICBISTQMOPR-UHFFFAOYSA-N 315.442 3.912 0 40 DHAB O=C(c1ccccc1)N1CCN=C1SCc1cccc(F)c1 4119850 BXWSFWVVMDDUQG-UHFFFAOYSA-N 314.385 3.571 0 40 DHAB CC(C)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 4164580 JQKCVMHFHDPFRO-BQFCYCMXSA-N 305.462 3.813 0 40 DHAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)O1 4603956 GFNYGSJTVOPVCO-ZBFHGGJFSA-N 315.756 3.583 0 40 DHAB CCCc1cc(=O)[nH]c(SCCOc2cc(C)cc(C)c2)n1 4625653 NLNPJLYCSQWXGW-UHFFFAOYSA-N 318.442 3.510 0 40 DHAB CC(C)[C@H](C)NC(=O)CSC1=Nc2ccccc2CS1 5297474 CGVHYCHFYGCQNN-NSHDSACASA-N 308.472 3.815 0 40 DHAB CC(=O)O[C@@]12c3ccccc3[C@@H]1CCCCCC21OCCCO1 5664688 MLMNSGWQZQFPCN-QFBILLFUSA-N 316.397 3.640 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccco1 5857272 RYGGDEWGNNOERJ-QWHCGFSZSA-N 315.369 3.977 0 40 DHAB Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)c(F)c1 7252694 NJSVNVAYYBJFJU-UHFFFAOYSA-N 319.405 3.580 0 40 DHAB Cc1cc(C)c(NC(=O)COC(=O)c2cccc(F)c2)c(C)c1 7514196 JIWNHROEKYQQGS-UHFFFAOYSA-N 315.344 3.546 0 40 DHAB Cc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 7641683 YVARVVOQSDVJTG-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB Cc1cccc(N2CCN(c3ncnc4ccsc34)CC2)c1C 8707842 LSFLHMIKWNOIEW-UHFFFAOYSA-N 324.453 3.635 0 40 DHAB CSc1nsc(SCC(=O)c2cc3ccccc3o2)n1 9146292 QIEVAJYNXIRNJC-UHFFFAOYSA-N 322.436 3.981 0 40 DHAB O=C(CCc1ccccc1O)Nc1ccc(N2CCCC2)cc1 10429853 IYSVEOHOLMDATG-UHFFFAOYSA-N 310.397 3.564 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)COc1ccc2ccccc2c1 11374316 DMWXIHMLKUWQGH-XUTLUUPISA-N 320.392 3.670 0 40 DHAB CC[C@H](C)C(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 12088187 MZPINWSYPQZCEI-AWEZNQCLSA-N 319.408 3.937 0 40 DHAB CCOc1ccc(SCC(=O)Nc2ncc(C)s2)cc1 12567781 VQANSAPIIDJULC-UHFFFAOYSA-N 308.428 3.581 0 40 DHAB Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1Cl 12584610 IMHXLLUTZQUGSN-UHFFFAOYSA-N 305.790 3.539 0 40 DHAB COc1ccc(OC)c(CNc2nc3ccccc3nc2C)c1 13017145 ISEXNAJOECHQKD-UHFFFAOYSA-N 309.369 3.568 0 40 DHAB CC(C)c1n[nH]c(S[C@H](C)c2nnc(-c3ccccc3)o2)n1 14142179 YQFXHENYHDSUSW-SNVBAGLBSA-N 315.402 3.831 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 14196575 BUJNKVJYRDPLOM-JXMROGBWSA-N 308.356 3.679 0 40 DHAB CCOc1cccc(C(=O)Nc2ccc(OC)c3ncccc23)c1 15840679 VTSLAZHGRLGAHX-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB CCSc1nnc(NC(=O)c2ccc3c(c2)CCCC3)s1 17339093 ILOPFXXNWKABMV-UHFFFAOYSA-N 319.455 3.781 0 40 DHAB CC1CCN(C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)CC1 20460175 FIOGAAMSEWNEHT-QGZVFWFLSA-N 314.473 3.791 0 40 DHAB CC(C)NC(=O)Nc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 24545802 GJWDEBHIFQKJBN-CYBMUJFWSA-N 301.390 3.511 0 40 DHAB C[C@@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccncc1 25380238 LRSVZCSCFISLDF-CQSZACIVSA-N 319.364 3.760 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 32738309 DXDXNAPNMUTYKY-KBPBESRZSA-N 323.396 3.516 0 40 DHAB C[C@H](Cc1ccccc1Cl)NC(=O)[C@]1(C)CC1(Cl)Cl 36393969 VPYGOURQJVQYOU-RNCFNFMXSA-N 320.647 3.971 0 40 DHAB CC(C)Oc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 40122337 DUCRNFRDRTXNBQ-ZDUSSCGKSA-N 302.201 3.996 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCCC[C@H]1C(F)(F)F 40553255 NWOQMBOLOUFMBT-RKDXNWHRSA-N 319.352 3.723 0 40 DHAB COc1ccc(CN(C)C(=O)CCc2ccccc2Cl)cc1 44818491 VTFQQBOKWAOWHV-UHFFFAOYSA-N 317.816 3.940 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccc(F)c(F)c3)[nH]c2c1 45528588 OOCQYRIISZMHIR-UHFFFAOYSA-N 302.280 3.707 0 40 DHAB COc1ccc(Cl)c(NCC(=O)NC2CCCCCC2)c1 49832771 FFXWRGGSULBTBQ-UHFFFAOYSA-N 310.825 3.600 0 40 DHAB Cc1cccc2sc(NC(=O)c3cc(Cl)ccn3)nc12 57670839 GJHAXPUBDFDPEG-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB O=C(CCc1ccccc1F)NCCSc1ccccc1 61083300 NAISFXXOYVYJRU-UHFFFAOYSA-N 303.402 3.667 0 40 DHAB COc1ccc(N(C(=O)c2cnc(C)s2)[C@H](C)C2CC2)cc1 65551635 YJWDGSXNQMWDNW-LLVKDONJSA-N 316.426 3.905 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2cc(F)ccc2F)ccc1F 66489370 ROZHMTGHVCMGSI-UHFFFAOYSA-N 324.258 3.535 0 40 DHAB CCn1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)cn1 69570646 QINYQFKIBOJIQB-UHFFFAOYSA-N 312.398 3.587 0 40 DHAB CO[C@H](C(=O)NCC(C)(C)c1cccc(C)c1)c1ccccc1 72046373 RSLARTTVZGQROO-SFHVURJKSA-N 311.425 3.777 0 40 DHAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c1 72404187 SCSYYVIIDDUJKF-OAHLLOKOSA-N 323.352 3.657 0 40 DHAB Cc1ccccc1[C@H](NC(=O)N(C)Cc1nccs1)C1CC1 74890449 OAQJAFFLSMWDJB-MRXNPFEDSA-N 315.442 3.744 0 40 DHAB CC(C)(C)[C@@H](O)CCNC(=O)c1ccc(-c2ccccc2)cc1 75157762 HASBJUHBBFODGT-SFHVURJKSA-N 311.425 3.881 0 40 DHAB CS[C@H]1CCC[C@H]1N(C)Cc1nnc(-c2ccc(F)cc2)o1 76091412 XNEZBDIKGHCAEN-KGLIPLIRSA-N 321.421 3.592 0 40 DHAB O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1ccc(O)cc1 78720225 RZPVCTUCUKAYSV-MRXNPFEDSA-N 300.333 3.900 0 40 DHAB COc1ccc2c(c1)CN(Cc1nc3cc(F)ccc3o1)CC2 79092967 MDCQHYXRZDVBIS-UHFFFAOYSA-N 312.344 3.534 0 40 DHAB O=C(Nc1ccccc1-c1ccccc1)c1cnn2c1OCCC2 90583821 ZMIJYLUGAAJNJU-UHFFFAOYSA-N 319.364 3.585 0 40 DHAB CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(C)sc1C 95969192 OAOSOSPTSMPRRU-FZMZJTMJSA-N 304.463 3.705 0 40 DHAB Cc1nc(-c2ccccc2)sc1NC(=O)NCc1cccnc1 96010723 LMVBNSSROYYSOI-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB Cc1cc(CNc2c(F)cc(F)cc2Br)no1 97095836 RKIFZRCLSGADIN-UHFFFAOYSA-N 303.106 3.636 0 40 DHAB CSc1ccc(CN2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 103717700 LUWOIMACUYDCNE-ZHALLVOQSA-N 316.514 3.715 0 40 DHAB CS[C@@H]1CCC[C@H](N[C@H](Cc2ccncc2)C(F)(F)F)C1 108115487 LRSNBORFYNYHHL-BFHYXJOUSA-N 318.408 3.819 0 40 DHAB C[C@H](CCc1ccc(O)cc1)N[C@H]1CCOC2(CCCC2)C1 136493711 QWIORALZDTZFSP-WBVHZDCISA-N 303.446 3.795 0 40 DHAB Cc1ccc(CNCc2sccc2Cl)c(N2CCCC2)n1 225612374 OWHRMARNPHBYIR-UHFFFAOYSA-N 321.877 3.995 0 40 DHAB O=C(O)c1ccc(OC(F)(F)F)cc1OCc1ccccc1 382771366 OEXGXCMNQSJRKX-UHFFFAOYSA-N 312.243 3.862 0 40 DHAB CC(C)OCc1c(Br)cnn1CCC(F)(F)F 408716173 JPHWKIRABXDSEZ-UHFFFAOYSA-N 315.133 3.523 0 40 DHAB Cn1nc(C2CC2)nc1CNc1c(Cl)ccc2scnc12 579231360 CBGCSEPJEYMJPC-UHFFFAOYSA-N 319.821 3.568 0 40 DHAB C[C@H](CN(C)Cc1c(Cl)cccc1C(=O)O)c1nccs1 581613004 NXPMDJPUZRHBFD-SNVBAGLBSA-N 324.833 3.730 0 40 DHAB COc1cc(C)ccc1-c1csc(C2(OC)CCOCC2)n1 585138087 NPFWVDLRIPMONQ-UHFFFAOYSA-N 319.426 3.779 0 40 DHAB CCN(C(C)C)[C@@H]1CCOC2(CCN(c3ccccc3)CC2)C1 2037834873 ABJJYZXDQSWJAX-LJQANCHMSA-N 316.489 3.935 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1C 51895 KJSMSDYDEHVRQC-HNNXBMFYSA-N 318.417 3.641 0 40 DHAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 130742 BGBKWKZXMSNKRK-PKNBQFBNSA-N 323.392 3.807 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1 380340 LNQQVRWJCIXADU-NSHDSACASA-N 319.430 3.533 0 40 DHAB CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@H](CC)C2 483850 TVNLYPADSZNEHK-JTQLQIEISA-N 321.442 3.788 0 40 DHAB COc1ccc(Cc2csc3ccsc3c2=O)cc1OC 1410533 QGBQBCWDVRFAEE-UHFFFAOYSA-N 318.419 3.931 0 40 DHAB CCCc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 2637514 PZKFRMFBWJIFIT-UHFFFAOYSA-N 319.426 3.757 0 40 DHAB COC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OC 2773148 MMOILERRISDYCQ-UHFFFAOYSA-N 305.355 3.688 0 40 DHAB Cc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCC3)cc1 2966429 WCDTZNBHNKMWEO-OAQYLSRUSA-N 321.444 3.564 0 40 DHAB C[C@@H](Sc1ccccc1F)C(=O)Nc1ccc2c(c1)OCO2 3473460 JBBJEDMSEJANOY-SNVBAGLBSA-N 319.357 3.674 0 40 DHAB COc1cc(C(=O)O[C@H]2C[C@H]3C[C@]2(C)CC3(C)C)ccc1O 4027345 UYRQNTGJUQGOJG-XLWVJDPXSA-N 304.386 3.772 0 40 DHAB CCCC[C@H](C(=O)Nc1cccc2c1O[C@@H](C)C2)N(CC)CC 4062146 MIVCUTMQBVUNCD-WMLDXEAASA-N 318.461 3.849 0 40 DHAB biogenic Cc1cccc(CCNc2nc3ccc(C)cc3n3cnnc23)c1 4835074 MFYPCZCBQPZYEA-UHFFFAOYSA-N 317.396 3.549 0 40 DHAB Cc1cccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)c1 5281698 QYAOCXSAELGINN-UHFFFAOYSA-N 318.756 3.777 0 40 DHAB COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1cccc(Cl)c1)C2 5301923 QXMYRMCSVGMGBC-LLVKDONJSA-N 318.756 3.941 0 40 DHAB CC[C@H]1CCCCN1C(=O)/C=C/c1ccc(OC)c(OC)c1 5476859 DEOBBYLYNJTZLR-GDXASINISA-N 303.402 3.508 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)CNc1cccc(F)c1 5702226 JGIZXGZJODGVGF-UHFFFAOYSA-N 322.767 3.847 0 40 DHAB Cc1cc(C)c(C(=O)CSc2nnc3ccccn23)c(C)c1 6114755 DYCNXPLISHAGQE-UHFFFAOYSA-N 311.410 3.630 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 6356065 JMGJDVRKPVEILW-MHORFTMASA-N 319.489 3.918 0 40 DHAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OC 6960509 BWFKEHUCICHLOO-KRWDZBQOSA-N 314.410 3.791 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1C 7819047 FRROPVACYXAVSF-LLVKDONJSA-N 321.323 3.763 0 40 DHAB CC[C@H](CCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O 8739008 ZHOYHGKJOTWIGC-LLVKDONJSA-N 318.398 3.640 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cc(Br)c[nH]1 8855886 OWFFLPMGEHYLPQ-UHFFFAOYSA-N 305.175 3.518 0 40 DHAB CCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 9450592 KMSDKLNRAKMYMJ-UHFFFAOYSA-N 303.387 3.507 0 40 DHAB Cc1ccc2c(COc3cccc4c3CCC4=O)cc(=O)oc2c1 10198036 GQKFTFGDGCFCCH-UHFFFAOYSA-N 320.344 3.809 0 40 DHAB COc1ccccc1-c1noc(CNc2cc(F)cc(F)c2)n1 10630313 KCLYBSRFRFRGQG-UHFFFAOYSA-N 317.295 3.636 0 40 DHAB CCc1nc2ccccc2n1C[C@H](O)c1ccc(Cl)cc1 12575802 CPNNIDTWYUCLGD-INIZCTEOSA-N 300.789 3.986 0 40 DHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1 12776580 DXPIXWQIHQCHHC-UHFFFAOYSA-N 317.772 3.683 0 40 DHAB CN(C)c1ccc(C(=O)NCCCSc2ccccc2)cc1 12824420 CJXLVJDKLNNNIU-UHFFFAOYSA-N 314.454 3.665 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccnn1C1CCCC1 13008739 VEXNCTORIXIXLX-UHFFFAOYSA-N 308.385 3.661 0 40 DHAB COc1ccccc1[C@H](CC(=O)Nc1nccs1)C(C)C 13725949 MTKLRTPMSGFCMW-CYBMUJFWSA-N 304.415 3.920 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)cc1 14009873 OQSOILJOPVPHKV-OUKQBFOZSA-N 322.408 3.787 0 40 DHAB CSc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1 14255165 FCYZVIPIXFOPBD-UHFFFAOYSA-N 313.426 3.656 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2csc(C)n2)c1 15832274 OSQYTQWLLOEBSH-UHFFFAOYSA-N 318.442 3.579 0 40 DHAB Fc1cc(Cl)ccc1N/C=C/c1nnnn1-c1ccccc1 16523770 KUVFHYRCYHCNCX-CMDGGOBGSA-N 315.739 3.538 0 40 DHAB COc1ccc(NC(=O)CCn2ccc3ccccc32)c(OC)c1 16635976 MFIFRXXGKQTYPJ-UHFFFAOYSA-N 324.380 3.687 0 40 DHAB Cc1cc(CSc2nnc3sc4ccccc4n23)no1 20054195 JMEHPNLJUGRZNY-UHFFFAOYSA-N 302.384 3.533 0 40 DHAB Cc1cc(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)no1 20055718 WMFSRACPIRZOLT-UHFFFAOYSA-N 310.353 3.700 0 40 DHAB O=C(CCn1ccc2ccccc21)N1CCc2ccccc2C1 21897756 JKAPQBWQOKEHJD-UHFFFAOYSA-N 304.393 3.616 0 40 DHAB biogenic Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cccs1 24468885 YSAWVJZPSRBDIA-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB Cc1ccnc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 27649114 USYRCMJRSKZFHS-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB CCn1nc(C)c(C(=O)Nc2nc3ccc(C)cc3s2)c1C 27983096 VPJHCWYWQMVVAP-UHFFFAOYSA-N 314.414 3.690 0 40 DHAB CCCC[C@H](CC)c1nnc(NC(=O)c2cnn(CC)c2)s1 28227225 HSOBOGWPKWABSN-NSHDSACASA-N 321.450 3.691 0 40 DHAB C[C@@H](NC(=O)NCCCOc1ccccc1)c1cccs1 29732585 IDDBUGSDFPCHKG-CYBMUJFWSA-N 304.415 3.577 0 40 DHAB CN(C)[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 32755352 GSFSTPBMDAZBRL-WOJBJXKFSA-N 322.452 3.526 0 40 DHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CC=CCC1 32776641 XGPQOWHPUHBKNG-YOEHRIQHSA-N 301.386 3.539 0 40 DHAB Cc1sc2ncnc(Nc3nc4c(s3)CCC4)c2c1C 32928683 XWUGLBSFUXIGPQ-UHFFFAOYSA-N 302.428 3.997 0 40 DHAB CCCOc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 33155765 NSONBLRCSDCDBK-SFHVURJKSA-N 324.380 3.607 0 40 DHAB Cc1ccc([C@@H](O)CNC(=O)Cc2cccc3ccccc23)cc1 41468026 OMUKBWCJYPQKBT-FQEVSTJZSA-N 319.404 3.541 0 40 DHAB COc1ccc(C)cc1[C@@H](C)NC(=O)COC1CCCCC1 44355537 CRODUDDCHIVYLR-CQSZACIVSA-N 305.418 3.530 0 40 DHAB O=C(C[C@H]1CCCO1)N[C@H](Cc1ccccc1)c1ccccc1 46764004 IZMCDNKOLDZEAX-RTBURBONSA-N 309.409 3.656 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(COC(C)C)c2)s1 48361782 GVQIXLMKZXPLTC-UHFFFAOYSA-N 303.427 3.912 0 40 DHAB C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc(Cl)s1 48858691 YUCSFWJCSCFHFS-VIFPVBQESA-N 314.863 3.893 0 40 DHAB CCCCCNC(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 58355624 VLEBQCMNKPLOLE-UHFFFAOYSA-N 313.405 3.661 0 40 DHAB CCN(CC)c1ccc(C(=O)Nc2cc(Cl)ccc2O)cn1 60322078 UKQMDXMQPOAHDG-UHFFFAOYSA-N 319.792 3.539 0 40 DHAB CCOC(=O)c1ccc(OCc2ccccc2F)c(OC)c1 62170279 GJPPYHPXBKZKIM-UHFFFAOYSA-N 304.317 3.590 0 40 DHAB COc1cc(C)cc2c(Nc3cccc(C(=O)O)c3)ccnc12 64874670 OREWMOZBEPPWAP-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccc3ncccc3c2)cc1 71121720 TXYSRPPWERZLFI-CYBMUJFWSA-N 306.365 3.734 0 40 DHAB Cc1noc([C@H](C)[S@@](=O)Cc2ccc(C(C)(C)C)cc2)n1 71888576 HMEAGBAMGLPNEV-WIUDPPPLSA-N 306.431 3.685 0 40 DHAB Cc1cc(N(C)C)ncc1[C@H]1CCCCN1C(=O)c1ccccc1 72218717 ZOWWGYWBSCVTGW-GOSISDBHSA-N 323.440 3.823 0 40 DHAB Nc1cc(Cl)c(NC(=O)c2ccccc2)cc1N1CCCC1 72229053 MGCMEPUBMOVFKM-UHFFFAOYSA-N 315.804 3.775 0 40 DHAB CCOc1cc(C(=O)N[C@@H](C)c2ccncc2)cc2occc12 72240105 UXMJIYFWOILPDP-LBPRGKRZSA-N 310.353 3.718 0 40 DHAB Cc1csc(Nc2nccnc2[C@H]2CCCN(C(C)C)C2)n1 72363470 HVDFUVYKZMETBM-ZDUSSCGKSA-N 317.462 3.573 0 40 DHAB Cc1cc(Br)cc2nc(-c3cccc(N)c3)[nH]c12 73633935 FOIKAXPQPVWRMA-UHFFFAOYSA-N 302.175 3.883 0 40 DHAB CCCOc1cccc(C(=O)N[C@H](CCO)C2CCCCC2)c1 84758630 FVTZTOLLJUYXIQ-GOSISDBHSA-N 319.445 3.537 0 40 DHAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc(C)c3)C2)cc1 89669320 WFMFNNUHRCCBQI-LJQANCHMSA-N 308.381 3.701 0 40 DHAB CC(C)(O)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Cl 89761609 YXRWVDBUCZGMLB-LBPRGKRZSA-N 317.216 3.761 0 40 DHAB CC[C@@H](C)Oc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C 95095425 WACWLENGESNBKY-UKRRQHHQSA-N 315.417 3.955 0 40 DHAB O=C(/C=C/c1ccccn1)O[C@H](c1ccccc1)c1ccccn1 95364780 YIJOFQCRSDYQCH-DRUFCSCSSA-N 316.360 3.823 0 40 DHAB C[C@H]1CC[C@@H](C)CN1C(=O)c1ccnc(N2CCCC[C@@H]2C)c1 95404764 RUDHCSFADAIWGF-PMPSAXMXSA-N 315.461 3.721 0 40 DHAB O=C(NCc1ccc(O)c(F)c1)c1c(Cl)cccc1Cl 95427739 CNSIZTJVLDTFJU-UHFFFAOYSA-N 314.143 3.768 0 40 DHAB CC(C)(C(=O)O)c1ccc(NC(=O)c2cccc3cc[nH]c23)cc1 97014483 FIXGCEOZRAICRS-UHFFFAOYSA-N 322.364 3.782 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)c1scnc1C(C)(C)C 97035803 JQSPIDWJFBTJMP-UHFFFAOYSA-N 318.398 3.700 0 40 DHAB Fc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 100113166 LPXOVGUCSUIEGK-SUMDDJOVSA-N 312.388 3.653 0 40 DHAB C[C@@]12C[C@H](NC(=O)N1c1ccc(F)c(F)c1)c1ccccc1O2 101084778 MWJNVTDHVRIJIT-WMLDXEAASA-N 316.307 3.734 0 40 DHAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COC[C@@H]1C[C@@H]2CC[C@@H]1C2 101244200 CDWNVYOEAWOXCA-ZJPYXAASSA-N 323.521 3.843 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(CC(F)(F)F)c1ccccn1 107341978 XWNIPFAKTPOITK-AVGNSLFASA-N 312.335 3.803 0 40 DHAB CCc1ccc(OCC(=O)n2c(C)c(CO)c3ccccc32)cc1 216721176 RSHVVMSJUWVFEN-UHFFFAOYSA-N 323.392 3.724 0 40 DHAB Cc1ccc(CCCNC(=O)COc2cc(C)ccc2C)cc1 218950404 BSFWQIMTHSWCQN-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB CCc1ccc(CC(=O)Nc2nnc(-c3ccccc3)s2)cc1 224468158 GOSBVJBWRRXSMN-UHFFFAOYSA-N 323.421 3.949 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCC1=CCCCC1 225098438 KDCJUMILGZLWKU-HNNXBMFYSA-N 313.441 3.949 0 40 DHAB O=C(Cc1ccsc1)NCc1cncc(-c2cccs2)c1 225667018 YYNHLWRWGGVWMN-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1ccc(C)c(C)c1 225993961 FSOHLJDZCLWQJY-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB Nc1nc2c(Cl)cc(NC(=O)c3ccccc3F)cc2s1 226310482 LXZAFWCAVIJKHP-UHFFFAOYSA-N 321.764 3.923 0 40 DHAB CC[C@H](C(=O)OC)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616295 HSEWCIMDIAEQOE-TZMCWYRMSA-N 305.418 3.739 0 40 DHAB Cc1ccc2cc3c(N)c(C(=O)NC(C)(C)C)sc3nc2c1 410913 LZNYPGVVOMVCCS-UHFFFAOYSA-N 313.426 3.868 0 40 DHAB O=c1c2ccc(Cl)cc2[nH]c(=S)n1Cc1ccc(F)cc1 425265 MTAGHPPQGGJQDL-UHFFFAOYSA-N 320.776 3.900 0 40 DHAB Cc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 1326677 XQERJHCGJVKPPO-UHFFFAOYSA-N 319.408 3.891 0 40 DHAB c1coc(CNCCOCCOc2cccc3ccccc23)c1 2281875 YYMAXPRBEHMLCZ-UHFFFAOYSA-N 311.381 3.618 0 40 DHAB COc1ccc(OC)c(NC(=O)CSCc2ccccc2)c1 3438240 PBBMSDLSTMKMNZ-UHFFFAOYSA-N 317.410 3.576 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1OC 3561532 XKJWYVRZBMKATP-UHFFFAOYSA-N 321.323 3.553 0 40 DHAB O=C1S/C(=C\c2ccncc2)C(=O)N1c1cccc(Cl)c1 4677801 OFDHQUXTCMSDGI-JYRVWZFOSA-N 316.769 3.976 0 40 DHAB Cc1cc(C)c(S(=O)(=O)NCc2cccc(Cl)c2)c(C)c1 5697543 ZZHSRBYXNVDJAG-UHFFFAOYSA-N 323.845 3.744 0 40 DHAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1cccs1 5786866 UAOHPQQAMOMBPO-UHFFFAOYSA-N 317.410 3.596 0 40 DHAB CCCSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 5923601 JDACQLGJOPPWKK-UHFFFAOYSA-N 311.410 3.591 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1ccc(Br)cc1 6321925 SEGJIYUMQXZMQD-UHFFFAOYSA-N 323.215 3.647 0 40 DHAB O=c1oc2ccccc2cc1C1=NO[C@H](/C=C/c2ccccc2)C1 6863940 ODJROLXVGUVVSN-SIFUEBAJSA-N 317.344 3.999 0 40 DHAB O=S(=O)(NC1CCCCCC1)c1ccc(Cl)c(Cl)c1 7141400 HFYZZKWJJFZJEY-UHFFFAOYSA-N 322.257 3.995 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nccs1 8060548 ZHVYUXOETYRZMG-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB O=C(OCc1nc2ccccc2o1)c1c(F)cccc1Cl 8448914 GYZGUVXQDKBVDU-UHFFFAOYSA-N 305.692 3.977 0 40 DHAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2)cc1F 10339720 ARRSQDVIASAZDB-SFHVURJKSA-N 312.388 3.910 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(NC(=O)C2CC2)cc1 11309134 MJYBDSGDPIUKHK-KGVSQERTSA-N 324.355 3.826 0 40 DHAB CC(C)c1ccccc1OC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCO1 13331586 FHMSCWHMBGXZSC-ZBFHGGJFSA-N 319.445 3.651 0 40 DHAB CCn1nnc2c(SCc3cccc4ccccc34)ncnc21 13532325 GAPXJYOVXGCBGA-UHFFFAOYSA-N 321.409 3.687 0 40 DHAB COc1cccc(/C=C/C(=O)Nc2nc(C(C)C)cs2)c1 14234651 JERIQTVWNVMNRO-BQYQJAHWSA-N 302.399 3.927 0 40 DHAB Cc1cccc([C@]2(O)CCC[C@H]3CN(Cc4ccncc4)C[C@@H]32)c1 19234492 WZKXWNXCIGMSRI-SESVDKBCSA-N 322.452 3.510 0 40 DHAB O=C(Nc1nccs1)C1=Cc2cc(Cl)ccc2OC=C1 19809848 XMDUBMLFSKXOGS-UHFFFAOYSA-N 304.758 3.725 0 40 DHAB Cc1ccc(-c2csc3ncnc(NCCCO)c23)cc1C 20322092 ISCYVARBGYJVSS-UHFFFAOYSA-N 313.426 3.769 0 40 DHAB COc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC 20538185 YOBJJSBLECSIGD-NSHDSACASA-N 318.348 3.726 0 40 DHAB COC(=O)Cc1ccc(OCc2coc(-c3ccccc3)n2)cc1 21756261 TWGMZCXHPQBTDF-UHFFFAOYSA-N 323.348 3.636 0 40 DHAB O=C(NCc1ccccc1)N(Cc1cccnc1)Cc1ccco1 24988767 YHPSFMRKWFMQMA-UHFFFAOYSA-N 321.380 3.587 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1 25334669 HNLUAPPOJKPOIP-CYBMUJFWSA-N 301.411 3.952 0 40 DHAB C[C@@H]1CN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](C)O1 32633740 DTXSBQNKUWQGCI-ZIAGYGMSSA-N 307.393 3.507 0 40 DHAB CCc1sc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1C 32787002 CZKAPEZJNSRWNL-UHFFFAOYSA-N 313.426 3.767 0 40 DHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1ccc(F)cc1 36391051 VOSKWXVKRJNWRA-GFCCVEGCSA-N 305.780 3.769 0 40 DHAB Cc1ccccc1-c1noc(-c2cn(C)c3ccccc3c2=O)n1 38487448 SBLAMMVZVULGRS-UHFFFAOYSA-N 317.348 3.564 0 40 DHAB CSCc1nnc(SCCCOc2ccc(F)cc2)o1 43878081 HRHAWZNXUUUHLN-UHFFFAOYSA-N 314.407 3.633 0 40 DHAB C[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1cccnc1 48683253 ATAFJXXHHNPNRC-CYBMUJFWSA-N 312.804 3.772 0 40 DHAB C/C=C/C=C/C(=O)Nc1ccc(Sc2nncs2)cc1 49317069 JPUGJGISKIJNLF-MQQKCMAXSA-N 303.412 3.760 0 40 DHAB CSc1ccc(-c2noc(CN3CCC[C@H](C)C3)n2)cc1 57427600 GLKVFBUTRGJMTH-LBPRGKRZSA-N 303.431 3.690 0 40 DHAB COc1cccc(C[S@](=O)CCCOc2ccc(F)cc2)c1 58198178 XUPIPKABQKBSEJ-QFIPXVFZSA-N 322.401 3.552 0 40 DHAB O=C(NC1CCCCCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 58368296 OSKSPMWDGOWQHV-QGZVFWFLSA-N 318.392 3.548 0 40 DHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 58719548 JOTVWNDYCVQIAW-NWDGAFQWSA-N 318.760 3.634 0 40 DHAB O=C(NCCc1cccc(O)c1)c1cc2c(s1)CCCCC2 63866507 YODKCJGUFNWLGP-UHFFFAOYSA-N 315.438 3.695 0 40 DHAB C[C@@H](NC(=O)c1cccn1C)c1cc(F)c(Cl)cc1Cl 69231079 QJVUSSXAOWHQTJ-MRVPVSSYSA-N 315.175 3.962 0 40 DHAB O=C(C[C@@H]1C=CCC1)NC1(c2ccc(Cl)cc2)CCOCC1 69371000 BNYUCSGCGQEDKW-CQSZACIVSA-N 319.832 3.818 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C)CC3)c12 71841916 AVKKENODVMNPEH-NSHDSACASA-N 313.401 3.671 0 40 DHAB C[C@H](NC(=O)NCc1ccncc1)c1csc2ccccc12 72268168 ZSMHRDGSVALGKQ-LBPRGKRZSA-N 311.410 3.857 0 40 DHAB CC(C)c1nnc(NC(=O)c2sccc2OC(F)F)s1 75127956 NWCAGGFFXRVQRE-UHFFFAOYSA-N 319.358 3.577 0 40 DHAB Cc1ccc(N2Cc3ccccc3O[C@H](C)C2=O)cc1Cl 75165475 YGUHVRBVYXRRPC-GFCCVEGCSA-N 301.773 3.963 0 40 DHAB CC(C)[C@@H](O)CCNC(=O)c1ccc(C2CCCCC2)cc1 76022762 DMZLEVMQQWDAFD-SFHVURJKSA-N 303.446 3.871 0 40 DHAB COc1ccc2cc(Br)ccc2c1Cn1cccn1 85399426 VFDDSMAMXBQKNN-UHFFFAOYSA-N 317.186 3.856 0 40 DHAB O=C(Nc1c(F)cc(F)cc1F)N1CCCC[C@H]1c1ncc[nH]1 88391614 DDPHXFIGCBERGG-LBPRGKRZSA-N 324.306 3.586 0 40 DHAB CN1CCC[C@@H](CN(C)Cc2cccc(-c3cccnc3)c2)C1 92253589 BNEJJYMXHZJXPJ-GOSISDBHSA-N 309.457 3.522 0 40 DHAB O=C(COc1ccccc1)Nc1ccc(Nc2ccccc2)nc1 95393488 STBGNONBIXTMNR-UHFFFAOYSA-N 319.364 3.843 0 40 DHAB O=C(CSc1cccs1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 95430469 FLVQJTJZHSBULD-XOKHGSTOSA-N 315.463 3.685 0 40 DHAB COC(=O)c1ccc(NC(=O)[C@H](C)c2cccc(C)c2)s1 95960732 CWORIDOJIOWEQY-LLVKDONJSA-N 303.383 3.585 0 40 DHAB CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2C2CCCC2)s1 96454211 RPRAFKROIPYZMX-TZMCWYRMSA-N 322.474 3.954 0 40 DHAB C[C@@H](CC(=O)c1cccs1)NC(=O)C1CCC(F)(F)CC1 96487248 OUWBGSKYEWUPMI-JTQLQIEISA-N 315.385 3.651 0 40 DHAB CNc1c(NC(=O)C2CCC(C)CC2)c(=O)oc2ccccc12 101098413 NSRKKCRQRUUMAK-UHFFFAOYSA-N 314.385 3.600 0 40 DHAB CN(Cc1cscn1)C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103783718 AHFZYYFABHQLCF-CPWXYTRJSA-N 324.877 3.679 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223244623 QLAGZVZTSWILQM-HNNXBMFYSA-N 309.409 3.740 0 40 DHAB CCn1nc(C(C)C)cc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 248197446 RFOUKTSPOZSMEZ-QPSCCSFWSA-N 303.450 3.581 0 40 DHAB CSc1cccc(NC(=O)CSc2ccccc2N)c1 408599036 CYELOXFOEHGVTJ-UHFFFAOYSA-N 304.440 3.722 0 40 DHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C)o3)S2)cc1 408773792 XISNLGUTIPGGRI-XBNGYDHASA-N 314.410 3.750 0 40 DHAB Nc1c(-c2cccc(Br)c2)cnn1-c1ccccc1 38211 RUTSIXOXJSTDGA-UHFFFAOYSA-N 314.186 3.884 0 40 DHAB COc1ccc([C@]2(C)CC2(Br)Br)cc1 500226 NWFRTSLXRDGBHY-JTQLQIEISA-N 320.024 3.843 0 40 DHAB O=C(COC(=O)c1ccc(F)cc1)Nc1cccc2ccccc12 555814 GYHZEIUUDMLBLV-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccco1 780707 FCIRGOFYUPUFTE-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB COc1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1 2713998 FVLHCRQODYAOLJ-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB COc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)cc1OC 3053356 FYFJOEPQEMMEGT-NSHDSACASA-N 316.353 3.593 0 40 DHAB COc1ccc(CC(=O)Nc2nc3c(C)cccc3s2)cc1 3558908 PSYSNVVAIBJMKT-UHFFFAOYSA-N 312.394 3.795 0 40 DHAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@@H]1CCCO1 4159817 DEFPUFOEMISNPW-ZDUSSCGKSA-N 322.817 3.505 0 40 DHAB Cc1cc(OCC(=O)c2ccccc2)c2c(C)cc(=O)oc2c1 4540383 HZQFAUORAGUTME-UHFFFAOYSA-N 308.333 3.672 0 40 DHAB Cc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 5392744 GTINBVZOYDCQBD-UHFFFAOYSA-N 315.316 3.815 0 40 DHAB Cc1cccc(NC(=O)COc2cccc3ccc(C)nc23)c1 5468574 XJZNTNOIKKIFKI-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB CC(C)/N=C1\S/C(=C/c2cccc(F)c2)C(=O)N1C(C)C 6325008 XKZMOTNNPFHZPD-WZMAMLOKSA-N 306.406 3.915 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 7928045 WWTKHOZBBBJWNJ-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CCOc1ccc2ccccc2c1CNn1c(C)n[nH]c1=S 8325153 ZKPADKOPBSTZLL-UHFFFAOYSA-N 314.414 3.545 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)NC(C(C)C)C(C)C 8498889 DFZPGIRQTVEOJM-AWEZNQCLSA-N 307.434 3.649 0 40 DHAB O=C1NCCCC[C@@H]1Sc1ncc(C(F)(F)F)cc1Cl 8707274 GQGRDUNBOTXAPK-VIFPVBQESA-N 324.755 3.515 0 40 DHAB COc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1Cl 9694315 CDXOFXQTGMYACY-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1 11636867 KHMAOQDOBJACFB-INIZCTEOSA-N 303.333 3.630 0 40 DHAB COc1cccc(C(=O)Nc2cc(C)nc3c(OC)cccc23)c1 12296742 YLNMRTUTZUCWAH-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB biogenic COC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 12395799 IARVTPJLTJSEDJ-UHFFFAOYSA-N 320.304 3.936 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 17321942 OYTNWOJBWUMADQ-CYBMUJFWSA-N 315.800 3.692 0 40 DHAB COc1cccc(C(=O)Nc2cccc(SC)c2)c1OC 19170361 NNTXLGDSPTUGQV-UHFFFAOYSA-N 303.383 3.678 0 40 DHAB Cc1ccccc1COc1ccc(Br)cc1CO 20298072 OHVDORWBUZOHRA-UHFFFAOYSA-N 307.187 3.829 0 40 DHAB O=C(COc1cccc(Cl)c1)N1CCSc2ccccc21 23486861 UMVZSALUOHSSAJ-UHFFFAOYSA-N 319.813 3.858 0 40 DHAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)no1 23762049 HKKRCPGRTGZLPA-QGZVFWFLSA-N 306.365 3.697 0 40 DHAB Cc1ccc(OCCNC(=O)N[C@@H](C)c2cccs2)c(C)c1 26243345 UEENRUUTTSDOLL-AWEZNQCLSA-N 318.442 3.804 0 40 DHAB CC(=O)Nc1nnc(-c2ccccc2-c2ccc(F)cc2)s1 27913969 XYAQPLOAEYOTJW-UHFFFAOYSA-N 313.357 3.970 0 40 DHAB Cc1cc(C(=O)Nc2cnn(Cc3ccccc3C)c2)c(C)o1 27920317 GKPXGGGXKISYDP-UHFFFAOYSA-N 309.369 3.702 0 40 DHAB Cc1cccc(-c2noc(CSc3ncc4ccccn34)n2)c1 32327223 ZGKOOVSXSNNXPN-UHFFFAOYSA-N 322.393 3.985 0 40 DHAB COc1ccc2nc(C(=O)Nc3cc(F)ccc3F)ccc2c1 32865854 IWTUZFFOPRUWJZ-UHFFFAOYSA-N 314.291 3.774 0 40 DHAB CCc1cccc(OS(=O)(=O)c2c(C)cc(C)cc2C)c1 33047610 SNVVHJCHLUEDSF-UHFFFAOYSA-N 304.411 3.942 0 40 DHAB COc1cccc(OC)c1C(=O)c1ccc(Br)cc1 37358012 ZMJFXPZHDPBDMS-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB CCCCN(C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 40152246 HNGLCHLPODEQCD-UHFFFAOYSA-N 321.440 3.802 0 40 DHAB Cc1cc2occ(CC(=O)N[C@@H](C)c3ccccn3)c2cc1C 40159801 FLTLNCOCEBVGAF-AWEZNQCLSA-N 308.381 3.865 0 40 DHAB CN(Cc1ccc(Br)o1)C(=O)NC1CCCCC1 42862848 WBXRFADKFBZMDH-UHFFFAOYSA-N 315.211 3.516 0 40 DHAB O=C([C@H]1CC=CCC1)N1CCn2cccc2[C@H]1c1ccccc1 44575977 AQKNWULUHFPSAB-PKOBYXMFSA-N 306.409 3.776 0 40 DHAB CC(C)OCc1cccc(CNC(=O)Cc2cccs2)c1 49155466 OIODDMBEDWIRCQ-UHFFFAOYSA-N 303.427 3.532 0 40 DHAB COc1cc(Cl)ccc1C(=O)NCc1ccc(Cl)cc1 49412395 MVFUVYPLNXXALJ-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB CC[C@H](C(=O)N[C@H]1CCc2cc(F)ccc21)c1c(C)noc1C 71853788 GRQURZKPBYWOIX-HOCLYGCPSA-N 316.376 3.728 0 40 DHAB Cc1nnc([C@@H](C)Nc2ccc(OCCc3ccccc3)nc2)o1 76859187 JZWBGOVVLBZRBK-CYBMUJFWSA-N 324.384 3.568 0 40 DHAB O=C(Nc1ccccc1)c1ccc(CSc2ncc[nH]2)cc1 78993246 QVPKCMRKWYEKAZ-UHFFFAOYSA-N 309.394 3.954 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)cc1 79361077 HKAFAIPRCKGYPN-OAQYLSRUSA-N 321.829 3.779 0 40 DHAB CN(CCCS(=O)(=O)c1ccccc1)C1CCCCCCC1 83860851 CVEROFJVQPSZQV-UHFFFAOYSA-N 323.502 3.895 0 40 DHAB C[C@H]1CCc2c(C(=O)N(C[C@@H]3CCOC3)C3CC3)csc2C1 84700239 ICQFFOTVMGMZNU-STQMWFEESA-N 319.470 3.514 0 40 DHAB Cn1cccc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1 89756751 QECKSIQGPDPUFD-SFHVURJKSA-N 311.816 3.953 0 40 DHAB CC(C)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1 89885202 UBPLVFWMIFCHHB-UHFFFAOYSA-N 323.362 3.784 0 40 DHAB Clc1ncnc(-c2cncc(Br)c2)c1Cl 95097446 OZNHWZRPHAWXOG-UHFFFAOYSA-N 304.962 3.608 0 40 DHAB CN(C(=O)Nc1ccccn1)[C@H](c1ccccc1)c1ccccn1 95352091 FLQNHGQSWWWCDV-GOSISDBHSA-N 318.380 3.730 0 40 DHAB CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1cccc(F)c1 96388861 YTQSQGNNOJOFKL-AWEZNQCLSA-N 324.302 3.613 0 40 DHAB Cc1ccc(C[C@H](C)NC(=O)N(C)[C@H](C)c2ccccn2)s1 96415585 XONAYBRHUURQFK-GXTWGEPZSA-N 317.458 3.785 0 40 DHAB CCOc1ccccc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100770365 NFCHIEMHEMRJDZ-RTBURBONSA-N 315.413 3.809 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 113942761 FYGRRMJCWXSLRE-ZIAGYGMSSA-N 301.361 3.779 0 40 DHAB Nc1nnc(-c2ccc3oc(-c4ccccc4Cl)nc3c2)o1 216828219 KFWKIYJBNFFTPE-UHFFFAOYSA-N 312.716 3.780 0 40 DHAB CC(C)(C)S[C@@H](c1ccccc1)c1c(O)[nH]c(=S)[nH]c1=O 223812521 ZQMBCTLAVVWUNX-NSHDSACASA-N 322.455 3.759 0 40 DHAB CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 224665956 CYIXJBCZMOCRTB-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB CCOC(=O)c1nnc2cc(Cl)c(Cl)cc2c1Cl 225743540 TWPLMFRCDWLJTG-UHFFFAOYSA-N 305.548 3.767 0 40 DHAB CCOc1cccc(NC(=S)NC2(CCOC)CCCC2)c1 225862428 GRTKJVVNGPRYAU-UHFFFAOYSA-N 322.474 3.721 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2conc2-c2ccccc2)cc1 225870245 IRXYRZPXNNNVON-ZDUSSCGKSA-N 322.364 3.841 0 40 DHAB CC1(C)CC(=O)[C@H]2C(c3ccc(Cl)cc3Cl)=NN[C@@H]2C1 228929542 QFJQQOZTBPMASU-YPMHNXCESA-N 311.212 3.675 0 40 DHAB O=Cc1ccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)o1 408553875 QXQGKCDNXIBOQO-UHFFFAOYSA-N 305.746 3.682 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CCc2cccc(Br)c21 584600979 DPLVFRUWOVZHTL-NSHDSACASA-N 312.207 3.961 0 40 DHAB Cc1ccc(OCC2(O)CCN(C3CCCCC3)CC2)cc1 585281488 JXJYRRSOFJRITL-UHFFFAOYSA-N 303.446 3.533 0 40 DHAB CC(C)c1nccn1CC1CN(c2cccc(C(F)(F)F)n2)C1 2087122881 XAMBLARRNSPGNL-UHFFFAOYSA-N 324.350 3.557 0 40 DHAB COC(=O)c1scc(C)c1NC(=O)c1ccc(Cl)cc1 82078 KJUNIEIDAXLMAG-UHFFFAOYSA-N 309.774 3.749 0 40 DHAB CCOc1ccccc1C(=O)Oc1ccc2c(C)cc(=O)oc2c1 129499 XWTQMODCYCSZHD-UHFFFAOYSA-N 324.332 3.719 0 40 DHAB biogenic Cc1cccc(OC(=O)CSc2nnc(C)c3ccccc23)c1 188630 JCROANXEQPQWJX-UHFFFAOYSA-N 324.405 3.944 0 40 DHAB Brc1ccc(-c2nnc(-c3ccncc3)o2)cc1 296104 GPSRMJDGSWDMDR-UHFFFAOYSA-N 302.131 3.561 0 40 DHAB COc1ccc([C@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 340708 DEEATEZDZDETJW-PMACEKPBSA-N 311.425 3.608 0 40 DHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(F)c1 430868 UNHWVTAOZKZCSC-NTEUORMPSA-N 301.704 3.824 0 40 DHAB CCc1cc(=O)oc2cc(O[C@@H](C(=O)O)c3ccccc3)ccc12 487752 IDEUMEFGSLGUHU-GOSISDBHSA-N 324.332 3.560 0 40 DHAB biogenic Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccccc1 549670 CKVVEHZTXSHCLB-UHFFFAOYSA-N 305.377 3.784 0 40 DHAB Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(F)cc2)cc1 578921 VTCDQWOFCHJEDH-IZZDOVSWSA-N 314.385 3.661 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)s1 3384707 JNXVIVHZCRCJTP-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(C)c(C)c2)c1 3555964 FANQDVBYVKBHLI-UHFFFAOYSA-N 311.381 3.580 0 40 DHAB CCOC(=O)c1c(-c2ccccc2)cnnc1-c1ccccc1 3939411 SOULOUOKDWTQIT-UHFFFAOYSA-N 304.349 3.987 0 40 DHAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@@H]1c1ccccc1 4028096 DCCMPFQEWVSVEQ-WJFTUGDTSA-N 313.441 3.598 0 40 DHAB biogenic Cc1cc(C)cc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1 4393771 OYNMMLTWNKRRJS-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1cccc(Cl)c1)C2 4887158 GVPMEJDOHTYMEW-ALOPSCKCSA-N 320.864 3.865 0 40 DHAB CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 4984211 RIBZRKBTHDVGFL-KRWDZBQOSA-N 314.410 3.507 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2F)cc1 5117801 HVUJRDSHFKTADO-LBPRGKRZSA-N 315.344 3.572 0 40 DHAB COc1ccc(CC(=O)OCc2cc(-c3ccccc3)on2)cc1 8068549 SEEGSVVSVWBRQX-UHFFFAOYSA-N 323.348 3.636 0 40 DHAB O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)[C@@H]1CCCO1 8187572 SJJRZNDACKBZCV-HNNXBMFYSA-N 308.337 3.612 0 40 DHAB CCn1c(NC(=O)Cc2ccc(C)c(OC)c2)nc2ccccc21 10237357 MYKKXIPTIYJVHN-UHFFFAOYSA-N 323.396 3.554 0 40 DHAB CC(=O)c1cccc(NC(=O)CSc2ncccc2Cl)c1 11033276 ZNYZVQLEMUROJR-UHFFFAOYSA-N 320.801 3.668 0 40 DHAB CCOC(=O)c1ccc(-c2ccc(/C=C(/C)[N+](=O)[O-])o2)cc1 12411091 QYUGUYXZMCCSDG-KHPPLWFESA-N 301.298 3.761 0 40 DHAB O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccn1 12537203 FRADAFISZLDQMH-UHFFFAOYSA-N 316.360 3.840 0 40 DHAB Cc1ccc2cccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)c2n1 12544155 DWCSZDGVETVGSZ-GASCZTMLSA-N 312.413 3.712 0 40 DHAB Cc1ccc(C)c(OC(=O)Cc2cnn(-c3ccccc3)c2)c1C 12853139 AXJMIIZLVUQTLV-UHFFFAOYSA-N 320.392 3.946 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 14398952 LDHFTGJBAJFCJH-DLBZAZTESA-N 311.425 3.900 0 40 DHAB O=C(OCc1cc(-c2ccccc2F)on1)c1cccs1 16838655 SYMSVHRTVSDNAK-UHFFFAOYSA-N 303.314 3.899 0 40 DHAB CCOC(=O)c1sc(Nc2ccc(C(C)=O)cc2)nc1C 22637613 SGCRRESOUUMRFH-UHFFFAOYSA-N 304.371 3.574 0 40 DHAB CCSc1ncc(Cl)c(C(=O)Oc2ccc(C)cc2)n1 27995532 KWIOPBBUUFTAID-UHFFFAOYSA-N 308.790 3.770 0 40 DHAB COc1ccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)cc1 28226342 ACZBLORGUMLXPK-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)no1 28988987 OMYVOWCGIMSNBF-VIFPVBQESA-N 313.279 3.885 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCOc1ccc(Cl)cc1 32863291 ITWSQPXRHVCQDU-CJNGLKHVSA-N 324.852 3.939 0 40 DHAB Cc1nc(SCC(=O)Nc2ccccc2)n(C2CC2)c1C 32894081 BAMAQFKZVUKEHZ-UHFFFAOYSA-N 301.415 3.566 0 40 DHAB Cc1ccc(C(=O)NCCCC(=O)Nc2ccc(C)c(C)c2)cc1 35673154 BFUASVNNIWSSSC-UHFFFAOYSA-N 324.424 3.761 0 40 DHAB CCOC(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 39086355 AZNOYZGUDSPLMA-UHFFFAOYSA-N 309.365 3.853 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c1 40473021 FMVPBPFTUROYQW-RHSMWYFYSA-N 315.413 3.724 0 40 DHAB O=C(NCc1cccc(Br)c1)c1ccccc1F 42238967 JDKZZWWEQXEHLK-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB CCc1ccc(NC(=O)CSC(=S)N(CC)CC)cc1 59474471 RXAHQENARLUSCI-UHFFFAOYSA-N 310.488 3.547 0 40 DHAB C[C@@H](Oc1ccc(C(=O)NCc2ccoc2)cn1)c1ccccc1 65552759 AZUZOCWEXICYAI-CQSZACIVSA-N 322.364 3.745 0 40 DHAB COc1ccc(-c2cnc(CN(CC(F)F)C3CC3)o2)cc1 69594131 YWCDCZCBLFCMGA-UHFFFAOYSA-N 308.328 3.580 0 40 DHAB CCc1nnc([C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)o1 70011863 ROBSJNXUXCFUJH-JTQLQIEISA-N 313.323 3.844 0 40 DHAB COCc1nc(C(=O)N2CCC[C@@H]2c2ccccc2C)cs1 71830959 WNNKFUUYEKKYAJ-OAHLLOKOSA-N 316.426 3.575 0 40 DHAB O=C(O)C1=NN(c2cccc(Cl)c2)[C@H](c2ccccc2)C1 71979149 FJGHRRTYULDIFM-HNNXBMFYSA-N 300.745 3.732 0 40 DHAB c1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)cc1 72355456 LWRXQJMDJMUFGO-SFHVURJKSA-N 304.397 3.604 0 40 DHAB C[C@H](NC(=O)[C@H]1CSCCS1)c1ccc(F)c(Cl)c1 75572783 NINDWQKLVGJXTF-QPUJVOFHSA-N 319.854 3.505 0 40 DHAB Cc1cccc(CNc2cccc(Cl)c2S(C)(=O)=O)c1 78999167 NCGVTEQSKCDCGD-UHFFFAOYSA-N 309.818 3.664 0 40 DHAB Cc1ccc(-c2nc(N)c3nc(-c4ccccc4)oc3n2)cc1 80346153 SHLPWHLNTGABIP-UHFFFAOYSA-N 302.337 3.842 0 40 DHAB O=C(NC(C1CC1)C1CC1)c1cccc(-c2noc(C3CC3)n2)c1 89774481 XYXPJVBCEUKYIU-UHFFFAOYSA-N 323.396 3.532 0 40 DHAB C[C@@H](CCSc1ccccc1)Sc1ncc(CO)n1C 89895661 DVNZLBOEVBTMHO-LBPRGKRZSA-N 308.472 3.575 0 40 DHAB Cn1ccnc(Oc2ccc(-c3ccccc3)cc2Cl)c1=O 95961950 QJPYWDQSADZPDV-UHFFFAOYSA-N 312.756 3.893 0 40 DHAB COc1ccc(CC(=O)O[C@H](C)C(Cl)(Cl)Cl)cc1 95997369 JYIWOQSMGYXHNB-MRVPVSSYSA-N 311.592 3.540 0 40 DHAB CC(=O)N1CCc2cc(N[C@H](C)c3cnn(C(C)C)c3)ccc21 97037142 XJHFDWWJYMERBL-CYBMUJFWSA-N 312.417 3.546 0 40 DHAB COc1ccc(C2=C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 102047548 VEJHPUCHCOPMTB-SFHVURJKSA-N 318.380 3.651 0 40 DHAB CCOc1ccc(C(=O)NCc2ccccc2C)cc1Cl 225119020 JLTBDYBMKOOWSV-UHFFFAOYSA-N 303.789 3.977 0 40 DHAB CC(C)OCCCNC(=O)CCc1c(Cl)cccc1Cl 225351512 PAIMOZIEQUAPBZ-UHFFFAOYSA-N 318.244 3.857 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C)n1 225894077 ZUZMJDORPKDTRS-SFHVURJKSA-N 322.449 3.959 0 40 DHAB CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cn1 225901540 YWRBIOKFRBVNDH-UHFFFAOYSA-N 320.433 3.794 0 40 DHAB Cc1noc2ncc(CNc3ccc(CN4CCCC4)cc3)cc12 585137059 GCKGVDYKQJGOIR-UHFFFAOYSA-N 322.412 3.739 0 40 DHAB O=C(c1c[nH]c2c(F)cc(Br)cc12)C(F)(F)F 725239542 VDABVAPMUTUFDX-UHFFFAOYSA-N 310.044 3.815 0 40 DHAB CCn1cc(C(=O)N2CCC[C@H]2c2ncc(C)[nH]2)c2ccccc21 2037677104 XGCIJAXCWUXJMI-KRWDZBQOSA-N 322.412 3.670 0 40 DHAB CCc1nccn1CC1CN(Cc2cccc(C(F)(F)F)c2)C1 2086889301 DYTIKZQHQYFZKV-UHFFFAOYSA-N 323.362 3.596 0 40 DHAB O=C(COc1ccccc1)N(Cc1ccccc1)c1ccccn1 30645 QDYOUJRNVXNQAM-UHFFFAOYSA-N 318.376 3.694 0 40 DHAB Cc1ccc2[nH]c(C)c(CCNC(=O)NC3CCCCC3)c2c1 105599 GJTHRSSUOHKEAN-UHFFFAOYSA-N 313.445 3.959 0 40 DHAB CCNC(=S)N(Cc1cccnc1)Cc1ccccc1Cl 321244 PMOARZLYNOAVAD-UHFFFAOYSA-N 319.861 3.632 0 40 DHAB Sc1nnc(Cc2ccccc2Cl)n1-c1ccccc1 2380919 FGBWZHZMDZYANY-UHFFFAOYSA-N 301.802 3.800 0 40 DHAB Fc1ccc(NC(=S)N2CCC[C@H](C(F)(F)F)C2)cc1 3330988 OKHUAFDEEKCOQZ-VIFPVBQESA-N 306.328 3.797 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 5192367 GHBDWFGMBDGKAY-UHFFFAOYSA-N 301.349 3.646 0 40 DHAB O=C(/C=C/c1ccccc1)NCCSCc1cccs1 5245603 BEPIOCYJAVSNIO-CMDGGOBGSA-N 303.452 3.811 0 40 DHAB C[C@]1(O)[C@@H]2CCCCCC2=NN1c1nc2ccccc2s1 5274864 JLSCKUNGRJCNBY-BZNIZROVSA-N 301.415 3.761 0 40 DHAB O=c1cc(O)c2sc3nc4c(cc3c2[nH]1)CCCCCC4 5338013 LWMVXCGILMDZOT-UHFFFAOYSA-N 300.383 3.502 0 40 DHAB Cc1ccc(C(C)C)cc1OCC(=O)NCCc1ccccc1 5557941 HAGYRYDTIRRCIC-UHFFFAOYSA-N 311.425 3.856 0 40 DHAB CCc1c(C)sc(NC(=O)c2cccc(Cl)c2)c1C(N)=O 6122964 CXQIAOSUJXTATA-UHFFFAOYSA-N 322.817 3.624 0 40 DHAB [O-][n+]1c2c(n(O)c1[C@@H]1C[C@@H]3C=C[C@H]1C3)-c1cccc3cccc-2c13 6863630 KZAPWUFFZFBXGV-PVXIVEMSSA-N 316.360 3.839 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)[nH]2)cc1 8116993 RQBNWXOYRFYQRT-UHFFFAOYSA-N 312.760 3.686 0 40 DHAB COc1ccc(Cl)cc1/C=C/C(=O)Nc1ncc(C)s1 8187317 BSOHCFSBMSKQNL-ZZXKWVIFSA-N 308.790 3.765 0 40 DHAB Cc1ccc(CN(C)C(=O)Cc2c(C)nc3ccccc3c2C)o1 8194409 JXLQPXUKZXIHRT-UHFFFAOYSA-N 322.408 3.954 0 40 DHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)s1 8405806 DUPOJNOZRLPROC-NSHDSACASA-N 324.833 3.561 0 40 DHAB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]2CC[C@@]2(C)c3n[nH]cc3C[C@@H]12 8615305 NLDGHLGLNVFXFH-BUJXUYPKSA-N 312.457 3.747 0 40 DHAB COc1cc(C)c(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 8770187 HHIOFIFJDLNRDD-BFHYXJOUSA-N 303.402 3.777 0 40 DHAB CC(C)Sc1nnc(NC(=O)c2ccccc2Cl)s1 8792841 AKFDQOSBDMZBON-UHFFFAOYSA-N 313.835 3.944 0 40 DHAB Cc1ccc(-c2cc(C(=O)O)c3cnn(C(C)C)c3n2)s1 9256665 JZBKIDOGVSZETR-UHFFFAOYSA-N 301.371 3.747 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3cc(F)cc(F)c3)[nH]n2)cc1 10261566 MTYZSSJHTITUNI-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc2[nH]cnc2c1 12506969 RJPFFCPDINTWER-CYBMUJFWSA-N 309.394 3.530 0 40 DHAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 12776897 CICJVJJVVVOJLE-ZBEGNZNMSA-N 316.351 3.569 0 40 DHAB Cc1cc(C)cc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 12999817 IQPXWDLMFAMOPF-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 15832092 YDHXPAGHLLTBAD-UHFFFAOYSA-N 320.392 3.777 0 40 DHAB Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=O)CC(C)(C)C2 16740294 AAFJYPPIISEYDI-UHFFFAOYSA-N 303.402 3.615 0 40 DHAB Cc1cccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c1C 17155545 FZIZLOFTTHNRES-INIZCTEOSA-N 311.425 3.820 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1c(F)cccc1F 20459182 BGEYOINTAYYYRQ-OAHLLOKOSA-N 321.323 3.770 0 40 DHAB CN(C)CCNCc1cccc(OCc2ccc(Cl)cc2)c1 22075456 AHQQALWBMMTJDF-UHFFFAOYSA-N 318.848 3.570 0 40 DHAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCCC1 22245949 HCAWNPSTOKNGIT-UHFFFAOYSA-N 305.378 3.570 0 40 DHAB S=c1scc(-c2ccccc2)n1CCCN1CCOCC1 24303209 RQIAVKJICSASTN-UHFFFAOYSA-N 320.483 3.668 0 40 DHAB Cc1cc(-c2csc(NC(=O)[C@H]3CCCO3)n2)c(C)s1 24968481 MLRRLDHIWABQCQ-GFCCVEGCSA-N 308.428 3.606 0 40 DHAB Cc1cccc(C)c1NC(=O)CN(C)[C@H]1CCc2ccccc21 29482473 IFXMNTPZMWPJOE-SFHVURJKSA-N 308.425 3.861 0 40 DHAB CC(C)(C)OC(=O)N(CCC(=O)O)Cc1ccc(Cl)cc1 32231748 ASQGAWTXGRIXPA-UHFFFAOYSA-N 313.781 3.552 0 40 DHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)c1cccs1 32475894 ZWGMNHRSFJNKKP-QWHCGFSZSA-N 315.438 3.882 0 40 DHAB O=C(Nc1cc(F)ccc1F)c1cc(-c2ccccc2)no1 33147307 JVHWVBMVVDEUFC-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB CC(C)[C@@H](NC(=O)CN1C[C@H](C)C[C@@H](C)C1)c1cccs1 34870151 GHQSAUPEWUARBG-CKEIUWERSA-N 308.491 3.539 0 40 DHAB Cc1cc(-c2ccc3c(c2)OCO3)nc2cc3c(cc12)OCO3 37077165 FUDFYWIYWVQASV-UHFFFAOYSA-N 307.305 3.668 0 40 DHAB CCCCOc1ccc(CCNC(=O)c2scnc2C)cc1 40122364 DRQIUHDBHYESHA-UHFFFAOYSA-N 318.442 3.603 0 40 DHAB Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)no1 41894321 ISNUNCPNPMVBEO-IINYFYTJSA-N 300.358 3.504 0 40 DHAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCOc3ccccc32)o1 42952324 YSASKFYNBMHVIS-OAHLLOKOSA-N 309.369 3.592 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1ccncc1 43184668 POINJXPFXZSMNG-SWLSCSKDSA-N 315.442 3.923 0 40 DHAB CCCn1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)ccc1=O 47230690 VCPBZKPXMAMNBB-UHFFFAOYSA-N 323.396 3.609 0 40 DHAB C[C@@H]1CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)CCO1 48521564 JTGDWKAGBSLMJH-SECBINFHSA-N 320.336 3.551 0 40 DHAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1F 56205782 QQQZKTPHVVTRLY-CYBMUJFWSA-N 316.376 3.972 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(Br)c2)C1 58183219 HYZCVANQANGTCA-QWRGUYRKSA-N 311.223 3.959 0 40 DHAB CCc1nc(CN(C)C(=O)Nc2cccc(C(C)=O)c2)cs1 58201890 NNXJQYHFEQZKAV-UHFFFAOYSA-N 317.414 3.572 0 40 DHAB O=C(CCN1CC[C@@H](c2ccccc2)C1)Nc1cccc(F)c1 65575518 WAZHJRLOQLIVMF-MRXNPFEDSA-N 312.388 3.644 0 40 DHAB CC[C@H](C)C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 65604013 PVANPFYBJDRVOV-VIFPVBQESA-N 324.837 3.604 0 40 DHAB Cc1ccoc1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 69532134 OSEMCODIGIHJCZ-UHFFFAOYSA-N 308.341 3.503 0 40 DHAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1csc(C2CC2)n1 76999374 ZOYPOFLUAACJSW-HOTGVXAUSA-N 312.438 3.749 0 40 DHAB O=C(NC1CC1)c1ccc(NCc2ccccc2)cc1Cl 78700002 BCKDXSAEOPSYGN-UHFFFAOYSA-N 300.789 3.844 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(Cl)cc2)CC1 79033383 VFXCGUGIUJAHHL-UHFFFAOYSA-N 324.852 3.567 0 40 DHAB CCOc1ccc(CSc2nccc(C(F)(F)F)n2)nc1 83203408 DDIRTZNHHUKQDF-UHFFFAOYSA-N 315.320 3.581 0 40 DHAB CCOc1ccc(-c2nc(-c3ccc(C)cc3)n[nH]2)cc1OC 85384463 CWOCYJWJXJXSCW-UHFFFAOYSA-N 309.369 3.854 0 40 DHAB CCOP(=O)(OCC)[C@](N)(c1ccccc1)C(F)(F)F 91252826 MPBKRXQODSBSKP-LLVKDONJSA-N 311.240 3.627 0 40 DHAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)c1ccncc1 91842320 RHHZDEQVKUGGNC-ZWKOTPCHSA-N 308.425 3.588 0 40 DHAB C[C@H](c1cccnc1)N(C)Cc1csc(-c2ccccn2)n1 93235734 WKKVUDKQSHJTMP-CYBMUJFWSA-N 310.426 3.793 0 40 DHAB C[C@H](Cc1ccsc1)NCc1ccc(Cn2ccnc2)cc1 95420146 DZMVJUKUSZYZFK-OAHLLOKOSA-N 311.454 3.714 0 40 DHAB COc1cccc([C@H](CNC(=O)Nc2ccccc2C)OC)c1 96390628 VUPYQDBVTPUFGA-KRWDZBQOSA-N 314.385 3.513 0 40 DHAB CN(C(=O)c1cccc(NCC2=CCCOC2)c1)c1ccccc1 97050857 IWTTXLQHNYPXNL-UHFFFAOYSA-N 322.408 3.722 0 40 DHAB Cc1cccc(NCc2ccc(NC(=O)c3cccnc3)cc2)n1 97096499 UBOTWXFAWJEKNM-UHFFFAOYSA-N 318.380 3.649 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccccc2)n1 98212965 YYLCYIMJCQQDEA-CYBMUJFWSA-N 315.373 3.809 0 40 DHAB COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 100751150 DVOPRKZTGKARBK-OALUTQOASA-N 323.436 3.710 0 40 DHAB CC1(C)CC2=Nc3nonc3N[C@H](c3ccco3)C2=C(O)C1 102736475 WSAFZNGBGLLJJX-GFCCVEGCSA-N 300.318 3.534 0 40 DHAB CC1=C(C)C[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2C1 104807904 GXHXVDZFPOWLBO-CHWSQXEVSA-N 303.789 3.884 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)c1ccccc1 223110267 HCFKDOPILSBAPK-HNNXBMFYSA-N 309.409 3.996 0 40 DHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCC 223605978 VCGHGQHMDVBUTJ-QGZVFWFLSA-N 318.461 3.510 0 40 DHAB CCNC(=O)c1ccc(OCC)c(COc2ccccc2C)c1 224369210 LPJDCSNDIPIIBF-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB CCC[C@H](C)NC(=S)Nc1nccc(-c2cccs2)n1 225185976 HEGHRBFPBCSSAW-JTQLQIEISA-N 306.460 3.680 0 40 DHAB O=C(NCc1ccccc1)c1ccc2nc(Cl)sc2c1 225976599 KOVCPGPTBKDCEJ-UHFFFAOYSA-N 302.786 3.880 0 40 DHAB C[C@@]12CC[C@@H]3[C@H](CC[C@]4(C)CC(=O)CC[C@]34C)[C@@]1(O)CCC2=O 253617188 BFCOSNMGHLCEIQ-WOHUTOPTSA-N 318.457 3.672 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@@H]3c3ccncn3)ccc2o1 257270032 MSNFEBYOMFGKTL-MRXNPFEDSA-N 307.353 3.509 0 40 DHAB Cc1cn(C)c([C@@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)n1 257319988 VUWUAFHPXNHSBB-CYBMUJFWSA-N 307.800 3.511 0 40 DHAB C/C(=C\c1ccccc1OC(=O)/C=C/c1ccccc1)[N+](=O)[O-] 408526404 AIUVBOPOAKWZFS-LDHFCIDVSA-N 309.321 3.943 0 40 DHAB O=C(Cc1ccccc1)Nc1c2c(nc3c1CCC3)CCCC2 198606 PXUNRLKVYOMHCE-UHFFFAOYSA-N 306.409 3.630 0 40 DHAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Cl)cc1 242879 FXJWGIYQVLNWHL-UHFFFAOYSA-N 302.182 3.794 0 40 DHAB CC(C)c1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1 299655 HBFZGNZOCIRZJD-UHFFFAOYSA-N 316.489 3.937 0 40 DHAB c1ccc(Nc2nc3nonc3nc2NC2CCCCC2)cc1 1272171 ONBIQYUCHXXWKF-UHFFFAOYSA-N 310.361 3.501 0 40 DHAB CCOC(=O)[C@@H]1CN[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 3845406 VRGSYPCBWQRFQZ-GUDVDZBRSA-N 309.409 3.684 0 40 DHAB biogenic O=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1CC1 4176304 WJUDXWHBQUYANS-UHFFFAOYSA-N 301.396 3.768 0 40 DHAB CSc1ccccc1C(=O)Nc1nc(C)c(C(C)=O)s1 4517393 KHWWTCBDBHIZHB-UHFFFAOYSA-N 306.412 3.628 0 40 DHAB CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1 4980499 XTHXXJNXUQFFJD-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB COc1ccc([C@H]2CN=N[C@@]23CCc2ccccc2C3=O)cc1 5069220 VVWPJJSGAWNBNT-MJGOQNOKSA-N 306.365 3.813 0 40 DHAB Cc1c(C(=O)Nc2ccccc2F)oc2c1[C@H](O)CC(C)(C)C2 5305323 BZMOCODERMXTSV-CYBMUJFWSA-N 317.360 3.985 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1 5981017 HTNKJHFZLVXDDT-ZOWXZIJZSA-N 323.820 3.580 0 40 DHAB CCc1ccc2oc(C(=O)NCc3ccc(C)cc3)cc(=O)c2c1 6811293 BSPVMNZRXLRCQN-UHFFFAOYSA-N 321.376 3.594 0 40 DHAB CCn1c(SCc2cc(-c3ccco3)on2)nnc1C1CC1 7533931 QWVCOWONPMPJSC-UHFFFAOYSA-N 316.386 3.716 0 40 DHAB O=C(CCc1cc2ccccc2o1)Nc1ccc2c(c1)OCO2 8326724 YLPTUWMPZPAOEN-UHFFFAOYSA-N 309.321 3.733 0 40 DHAB CCOC(=O)c1sc(NC(=O)Nc2ccc(C)cc2)nc1C 8395160 LNMZQPRXUNUFSC-UHFFFAOYSA-N 319.386 3.581 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1C 8571535 AMRGDCOSOOXTEM-INIZCTEOSA-N 322.408 3.603 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@H](O)CNC2CCCCC2)c1 9970624 PXSXERKKHNSNOZ-QGZVFWFLSA-N 305.462 3.780 0 40 DHAB CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 11207807 VKCUGNPYMHSNSM-FQEVSTJZSA-N 309.409 3.895 0 40 DHAB CCN(CC)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 11905848 BAENMYDYPXTDFH-UHFFFAOYSA-N 308.385 3.513 0 40 DHAB CCCOc1ccccc1C(=O)Nc1onc2c1C[C@H](C)CC2 12062456 MFTKTMHNPIBGHZ-GFCCVEGCSA-N 314.385 3.841 0 40 DHAB Cc1nc(-c2ccc(CCNC(=O)c3ccoc3)s2)cs1 14092680 HQGAHCBJJASJQH-UHFFFAOYSA-N 318.423 3.746 0 40 DHAB CCCCC(=O)NC(=S)Nc1nc2c(C)ccc(C)c2s1 14257655 DCZIFTDMAJLATO-UHFFFAOYSA-N 321.471 3.916 0 40 DHAB Cc1cc(C)n2cc(CSc3cnc4ccccc4n3)nc2n1 16283449 XJVUPFVWWKYCPP-UHFFFAOYSA-N 321.409 3.582 0 40 DHAB CCn1ncc(CN2CCCCC[C@H]2c2cc(C)on2)c1C 19523957 OEZWWMATZITGOW-KRWDZBQOSA-N 302.422 3.625 0 40 DHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)C2CC2)sc1C 19559688 UNITYYSIKGRZGS-CYBMUJFWSA-N 306.456 3.631 0 40 DHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccccc1C 20137391 ICKFHTUIHMDSOR-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1Cl 20139328 VHSYYFWESUVCBN-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB CCCCc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1 22095792 KHCIAVQVMNQCCZ-UHFFFAOYSA-N 313.445 3.951 0 40 DHAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(F)c1 23230044 ZXCIMALNJVBEGN-KRWDZBQOSA-N 319.401 3.524 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1cccs1 26933493 IUCFOAIZURWLOA-UHFFFAOYSA-N 313.422 3.999 0 40 DHAB CCOc1ccc2cc(C(=O)c3ccc4c(c3)OCO4)oc2c1 28000853 PMYCUWXSCCNBNV-UHFFFAOYSA-N 310.305 3.791 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1C 28248131 RQDNVVARDGBDMJ-UHFFFAOYSA-N 324.471 3.858 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 32665099 MSNKOFCRZPUSKV-YESZJQIVSA-N 300.446 3.834 0 40 DHAB O=C(O)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 32918484 BDDHIRGHPSFOFG-UHFFFAOYSA-N 310.284 3.773 0 40 DHAB Oc1ccc(-c2nc3cnccn3c2Nc2ccc(F)cc2)cc1 35616358 CBLSOIKDASKQNJ-UHFFFAOYSA-N 320.327 3.985 0 40 DHAB CC(C)Oc1ccc(CNC(=S)Nc2ccccc2)cc1 36559408 FHNUQIBTVZRNSZ-UHFFFAOYSA-N 300.427 3.960 0 40 DHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCc2sccc2C1 40485202 NBKULRTYCALXHN-SNVBAGLBSA-N 317.439 3.979 0 40 DHAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)[C@H]1CCCO1 41134437 NRASYENPRNQCJM-HIFRSBDPSA-N 321.829 3.786 0 40 DHAB NC(=O)c1cc(NCc2ccccc2C(F)(F)F)ccc1F 42792922 WFOMHEOXWXRWPJ-UHFFFAOYSA-N 312.266 3.556 0 40 DHAB CCCCCCNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1 45125302 QYJSKOFSMDQNFH-CYBMUJFWSA-N 305.422 3.586 0 40 DHAB Cn1cnnc1SC(c1ccc(F)cc1)c1ccc(F)cc1 49536190 DRHGEYVRNBEVFS-UHFFFAOYSA-N 317.364 3.975 0 40 DHAB COc1cccc(C(=O)Nc2cc(C(C)=O)ccc2Cl)c1 49913208 BDTKBQPYUPASKQ-UHFFFAOYSA-N 303.745 3.804 0 40 DHAB COc1ccc(NC(=O)Nc2cccc(F)c2C)c(OC)c1 51354498 YBKWTJDGNVKALC-UHFFFAOYSA-N 304.321 3.795 0 40 DHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)OCc1ccccc1 58239561 SOLWHDACLKEAAI-UHFFFAOYSA-N 314.429 3.832 0 40 DHAB Cc1ccc(NCc2cc(C)on2)c(OCC(F)(F)F)c1 60088614 DVQXEOQMSJSVLU-UHFFFAOYSA-N 300.280 3.845 0 40 DHAB CS[C@@H](C)C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 61570247 HIKANEAPRBBLDM-KGLIPLIRSA-N 306.475 3.609 0 40 DHAB C[C@@H](NC(=O)CCOc1ccc(F)cc1Cl)c1cccnc1 65606979 IMPJKRJPEHRFGF-LLVKDONJSA-N 322.767 3.520 0 40 DHAB O[C@H](CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1 66347446 TXPGHNBEYSULQU-LLVKDONJSA-N 322.386 3.763 0 40 DHAB COCc1ccc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)cc1 71907523 UMFWIBQLHHWHTR-GFCCVEGCSA-N 317.351 3.882 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 72214610 MJOBDHGTKGEHGY-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB CC[C@H](O)CCCNC(=O)Nc1cc(Cl)ccc1Cl 72303872 OTLIIKNGDKMRAL-JTQLQIEISA-N 305.205 3.666 0 40 DHAB CC1(C)CCC[C@H]1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 75105493 RNFHVDPZEWFFKE-CQSZACIVSA-N 323.820 3.810 0 40 DHAB CC(C)[C@@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 89530411 ZMBHAEVZEHAXOQ-INIZCTEOSA-N 302.418 3.664 0 40 DHAB C[C@@H]1OCC[C@@H]1NCc1ccccc1-c1ccc(CN(C)C)cc1 95431677 SYGSCHKZLMANNY-KKSFZXQISA-N 324.468 3.682 0 40 DHAB Cc1nc(CNC(=O)NC2CC(c3ccccc3)C2)sc1C 95962453 RDQXUDFCKKSION-UHFFFAOYSA-N 315.442 3.505 0 40 DHAB CC(C)c1ocnc1C(=O)Nc1cc(CCc2ccccc2)n[nH]1 96419306 FJBSOOWEPFHULX-UHFFFAOYSA-N 324.384 3.559 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2cscn2)o1 96433174 DSTMKUNQHMUKIC-WFASDCNBSA-N 318.442 3.977 0 40 DHAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1C[C@H]2CC[C@H]1C2 103321800 NXVMIMRRQRFWFC-IHRRRGAJSA-N 313.426 3.504 0 40 DHAB O=c1[nH]c2c(s1)[C@H](c1ccco1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 104201083 PGOHYRVPWXTGJJ-QATXWYEKSA-N 305.424 3.682 0 40 DHAB O=C(Nc1cccc(Oc2cnccn2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106559353 BNWVPYPVPUECRC-HEHGZKQESA-N 309.369 3.644 0 40 DHAB O=C(/C=C/c1ccccc1)N1CCS[C@@H](c2ccco2)CC1 207007051 LIBVRRXLKHKBTQ-KBOKABMXSA-N 313.422 4.000 0 40 DHAB OCc1ccc2oc(-c3cccc(Br)c3)nc2c1 216796235 JDCVSQZTUZZAAC-UHFFFAOYSA-N 304.143 3.750 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccco1 223074506 SQUVLYGGPCFXQE-GOSISDBHSA-N 313.397 3.632 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)Cc2cc(C)ccc2C)c1 224090579 LOECJUKLCXYLQO-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB COc1ccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 225691768 HALXGKHLLPUGKZ-UHFFFAOYSA-N 313.441 3.631 0 40 DHAB CCOc1cccc(NC(=S)NCc2cccc(F)c2)c1 225837137 FHLIECDROFSXOM-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB CCN(CC)CCn1nc(C)c2c(Cl)c3ccccc3nc21 255188492 KEYMDLNUOHEWMK-UHFFFAOYSA-N 316.836 3.888 0 40 DHAB CCOc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1 257215955 CSKVAKKBZXJHIR-WJFTUGDTSA-N 317.429 3.610 0 40 DHAB CN(C)c1cccc(C(=O)NCc2ccc(-c3ccoc3)o2)c1 585148148 QCDMEIXCZSZTBD-UHFFFAOYSA-N 310.353 3.536 0 40 DHAB CCc1ccc(C(=O)N2CCC[C@H](COc3ccncc3)C2)cc1 1775972338 XMZBDUCRLYNIGH-KRWDZBQOSA-N 324.424 3.575 0 40 DHAB CC(C)(C)NC(=O)[C@@H]1CCN(Cc2cccc3ccccc23)C1 1889218200 MRJBFIJFJXVFEV-QGZVFWFLSA-N 310.441 3.576 0 40 DHAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1C 252056 FCQKCVFUEWWNJS-HNNXBMFYSA-N 319.408 3.711 0 40 DHAB Cc1ccc(OCCCn2c(CO)nc3ccccc32)cc1C 1926877 ZYULBFFTXVHQOJ-UHFFFAOYSA-N 310.397 3.615 0 40 DHAB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1OC 2213931 MEVOPXDUXCKJAO-STQMWFEESA-N 307.390 3.551 0 40 DHAB COC(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12 2493202 IAOIPCAAUGUDFS-UHFFFAOYSA-N 313.328 3.646 0 40 DHAB Cc1cccc2c1N(Cc1ccc(OC(C)C)cc1)C(=O)C2=O 2706835 VWEWOOPQNHDTKP-UHFFFAOYSA-N 309.365 3.512 0 40 DHAB Cc1cc(C)c(OC[C@H](O)CN[C@H](C)c2ccccc2)c(C)c1 3194186 CITKQVBWORSVBS-IEBWSBKVSA-N 313.441 3.702 0 40 DHAB Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c1 3401185 RFTFUZDUQCDNAL-HNNXBMFYSA-N 311.381 3.512 0 40 DHAB Cc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1C 3411006 QOLIBMMCSADTQP-UHFFFAOYSA-N 316.832 3.725 0 40 DHAB CCCOc1ccccc1CN1C(=O)C(=O)c2cccc(C)c21 4475993 MMKFTGBQIMIGBD-UHFFFAOYSA-N 309.365 3.513 0 40 DHAB CCCc1nnc(NC(=O)CSc2ccc(C)cc2)s1 4740003 DOSYDJAGWKQCMC-UHFFFAOYSA-N 307.444 3.530 0 40 DHAB CCCn1c(NC(=O)c2cccc(OC)c2)nc2ccccc21 4900498 BATVRBOGGXDOEL-UHFFFAOYSA-N 309.369 3.707 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1 5101586 PZGAKALAQSOSAK-WDEREUQCSA-N 324.446 3.949 0 40 DHAB CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C 6784415 FEZSLCNSGSZREP-UHFFFAOYSA-N 306.387 3.523 0 40 DHAB Cc1ccc(OCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 7608300 FDOYRINSZHLBGY-UHFFFAOYSA-N 313.441 3.849 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(C)c1C 7758337 RWFWOFDOKMDSMR-UHFFFAOYSA-N 312.369 3.523 0 40 DHAB O=C(O)c1ccc(OCCCN2CCCc3ccccc32)cc1 8703248 LUPXGFFSFOAXRS-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB CCC(=O)Nc1cccc(OC(=O)c2ccccc2Cl)c1 8723117 ZEDLKZYHWJKNDA-UHFFFAOYSA-N 303.745 3.908 0 40 DHAB Cc1cc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)no1 9204715 RVADKVKHGPSMAU-UHFFFAOYSA-N 301.371 3.968 0 40 DHAB Cc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2[nH]1 10896066 WZSJLAFHSJHFGZ-UHFFFAOYSA-N 315.760 3.542 0 40 DHAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCO1 11454877 WKYLXKCKTCUFEP-NSHDSACASA-N 321.829 3.929 0 40 DHAB COC(=O)Cc1ccc(OCc2cccc3cccnc23)cc1 12786351 AYZJQCSLWAQZBX-UHFFFAOYSA-N 307.349 3.529 0 40 DHAB CN(C)C(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12871026 UZTJDUAFBWELIM-UHFFFAOYSA-N 310.328 3.850 0 40 DHAB CCc1noc(C)c1C(=O)Nc1nc(-c2cccs2)cs1 12909351 QWZCJCTWHDJVGX-UHFFFAOYSA-N 319.411 3.983 0 40 DHAB C[C@@H](OC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)cc1 13004217 RIMALHFZXDOGFM-GFCCVEGCSA-N 307.365 3.666 0 40 DHAB O=C(CCCc1nc2ccccc2s1)NCc1ccco1 13011859 NCINUXZQCBFXMI-UHFFFAOYSA-N 300.383 3.528 0 40 DHAB CCc1ccc(CN(Cc2cccnc2)Cc2ccnn2C)cc1 13569117 LPUIKRLBXRQSON-UHFFFAOYSA-N 320.440 3.580 0 40 DHAB CCOCCCNC(=O)c1ccccc1CCc1ccccc1 13688331 XSRUYQBZRONUTQ-UHFFFAOYSA-N 311.425 3.628 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 15331033 ZFBIFKVWOGRILH-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2ncsc2c1 16022475 BJUDPAMSBRKLST-UHFFFAOYSA-N 312.438 3.995 0 40 DHAB O=C(Cc1ccccc1)Nc1cccc(-c2ccc(CO)o2)c1 20137092 PGNRYRSDBSUQTJ-UHFFFAOYSA-N 307.349 3.620 0 40 DHAB OC1=Nc2n[nH]cc2[C@H](c2ccccc2Br)SC1 20728089 WJHSXKCODQJRGS-NSHDSACASA-N 324.203 3.596 0 40 DHAB Cc1cc(CN[C@@H](C)[C@H](O)c2ccc(O)cc2)c(C)n1C(C)C 23673483 POCGPUUYGAXVLS-LIRRHRJNSA-N 316.445 3.603 0 40 DHAB Cc1cc2nnc(SCc3cccnc3)n2c2ccccc12 27777677 ZUQWSOZVOZAAPM-UHFFFAOYSA-N 306.394 3.878 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 30751432 GNNDYRQFKWXLCN-YJBOKZPZSA-N 309.409 3.956 0 40 DHAB CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 30854510 RSKUVWFJOMPFKE-PXUDHTSWSA-N 309.365 3.696 0 40 DHAB C[C@@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1cccs1 32699208 XLNFDDJHCUMECS-LLVKDONJSA-N 321.446 3.629 0 40 DHAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2OC)cc1F 32796615 ZCLFUNOKIPVUAV-LBPRGKRZSA-N 317.360 3.676 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc3cn[nH]c23)cc1 39559234 ULRSZHOSXQRVGS-KRWDZBQOSA-N 321.380 3.549 0 40 DHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)c1nccs1 40512975 DFRLVJMEMTYTFC-SNVBAGLBSA-N 310.806 3.535 0 40 DHAB O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCCCCC1 44253931 GIHUYQCKEUBKST-UHFFFAOYSA-N 303.793 3.542 0 40 DHAB COc1ncccc1NC(=O)N[C@H](c1ccccc1)c1ccco1 45153116 DPPKTTNUDJCJIB-MRXNPFEDSA-N 323.352 3.594 0 40 DHAB C[C@@]1(C(=O)Nc2ccc(OC(F)F)cc2)CC1(Cl)Cl 45573789 XLBGGIBUYBWCQH-NSHDSACASA-N 310.127 3.810 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1ccccn1 48234310 GOEVNQXKUAOBJH-SWLSCSKDSA-N 315.442 3.923 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2cc(F)ccc2C)cc1 51354301 JXXDHKNWUIKYFN-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB Cc1ccccc1[C@H]1CCCN1CC(=O)N(C)c1ccccc1 52212601 NVTGRPWDXDGODU-LJQANCHMSA-N 308.425 3.795 0 40 DHAB COc1cccc(NC(=O)N[C@@H](C)COc2ccccc2C)c1 56516276 MQAFVYWPHMNUTA-AWEZNQCLSA-N 314.385 3.593 0 40 DHAB O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCOCC1 60827516 NLYYQJCWJSUECW-KRWDZBQOSA-N 305.393 3.600 0 40 DHAB C[C@@H](SC[C@H](O)c1ccccc1)c1nc(C(C)(C)C)no1 69290620 QSQICFOPRXNGHQ-YPMHNXCESA-N 306.431 3.895 0 40 DHAB CCN1CCc2ccc(NC(=O)c3c(C)noc3C(C)C)cc21 69325311 HEEUZDNVFDHGLH-UHFFFAOYSA-N 313.401 3.741 0 40 DHAB Cc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)CCC(=O)N2C)cc1 72239409 QQWRVHGCQRAGPU-MJGOQNOKSA-N 322.408 3.543 0 40 DHAB CCCCNC(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 72282572 QJUXNRLRYKTBFV-INIZCTEOSA-N 317.477 3.518 0 40 DHAB CSCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 72284852 JGXVFDYYWUIVOX-VIFPVBQESA-N 324.446 3.798 0 40 DHAB C[C@H](NC(=O)[C@@H](C)C(F)(F)F)c1ccccc1Br 72302698 RMKPPONDOGSKDM-SFYZADRCSA-N 324.140 3.825 0 40 DHAB COc1ccc2cc3c(nc2c1)OCCN(Cc1ccccc1)C3 72392267 LWPGCQYTADISPL-UHFFFAOYSA-N 320.392 3.638 0 40 DHAB CCOc1c(F)cccc1C(=O)N(CC)[C@@H](C)c1cccnc1 74952603 GLAKFOFRFCVWRJ-ZDUSSCGKSA-N 316.376 3.843 0 40 DHAB Nc1nc(Cl)cc(N[C@H](c2ccc(F)cc2F)C2CC2)n1 78521752 RNOKUGLENXUOFO-ZDUSSCGKSA-N 310.735 3.554 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)OCc2nc(C(C)(C)C)no2)C1(C)C 84671203 RSEWSAMISPPMLN-WCQYABFASA-N 306.406 3.649 0 40 DHAB O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@@H]1c1ccncc1 89884932 SXWGKMBRYWJTFZ-CQSZACIVSA-N 320.751 3.557 0 40 DHAB Cn1cc([C@H](NCc2ccc(F)cc2)c2cccc(F)c2)cn1 95427004 GNZIZVDCFNFBRP-GOSISDBHSA-N 313.351 3.578 0 40 DHAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc(C)c(C)o1 95961159 RAEPBLQCNFYILE-JOYOIKCWSA-N 322.434 3.578 0 40 DHAB C[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1ncc(C(C)(C)C)o1 95963254 WHIZERMQBRPMSY-VIFPVBQESA-N 301.346 3.580 0 40 DHAB CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1cccnc1 95964211 SYJCPUSUXBUERJ-AEGPPILISA-N 307.463 3.506 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cccc(CO)c2)c1 95988797 ITIVZQKDAXNEIL-ZIAGYGMSSA-N 312.413 3.549 0 40 DHAB Cc1nc(COC[C@@]23CCC[C@@H]2CN(C2CCC2)C3)cs1 96109291 ZAYXTDDFQWEASN-PBHICJAKSA-N 306.475 3.623 0 40 DHAB C[C@@H](Nc1ccc(Nc2nccn(C)c2=O)cc1)c1ccccc1 96429364 OFAXPLORRCBEQE-CQSZACIVSA-N 320.396 3.697 0 40 DHAB CCc1ccccc1NS(=O)(=O)c1c(C)cc(OC)cc1C 96659259 GDRAEADUYDOEHQ-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB CC1=CC[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 101492235 CKCAAVSMPGZWFA-GHMZBOCLSA-N 310.180 3.839 0 40 DHAB CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OC(C)(C)C)cc2)C1 157237254 XMPSKZSAWMRXOM-GDBMZVCRSA-N 318.461 3.525 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cn2)cn1 194449827 NEJPWVQCALLLLX-UHFFFAOYSA-N 303.365 3.633 0 40 DHAB CC[C@@H](NC(=S)Nc1ccc(OC)nc1)c1ccccc1 225482655 SGYKLNKUIUXMJJ-CQSZACIVSA-N 301.415 3.528 0 40 DHAB CC1(C)C[C@@H](NC(=S)Nc2cccnc2)c2ccccc2O1 225579503 YVQJYXJCCWBXAI-CQSZACIVSA-N 313.426 3.670 0 40 DHAB CC1(C)CC(=O)[C@@H]2C(c3ccc(Cl)cc3Cl)=NN[C@@H]2C1 228929572 QFJQQOZTBPMASU-DGCLKSJQSA-N 311.212 3.675 0 40 DHAB C[C@@H]1CC[C@H]1COc1cccc(I)c1 242648750 RFVHRHWKAUGMAG-ZJUUUORDSA-N 302.155 3.716 0 40 DHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)C(C)C)nc1 257329468 XKCFFYFFNNBBRM-MRXNPFEDSA-N 313.401 3.673 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccccc3OC)c(C)nc2c1 358272112 ZNQFURTZERSYMV-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB C[C@H](N[C@@H]1CCO[C@H](C2CC2)C1)[C@@H](C)OCc1ccccc1 585093642 UIDSVGUKZLKINS-SFUIVIKGSA-N 303.446 3.527 0 40 DHAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3F)C2)cc1 506815 NEIQNDZENPMKKY-GOSISDBHSA-N 312.344 3.532 0 40 DHAB Cc1ccc(S(=O)(=O)CC[C@H](O)c2ccc(Cl)cc2)cc1 1404580 FCGYIIUYGHSPRC-INIZCTEOSA-N 324.829 3.546 0 40 DHAB O[C@@]1(Cc2ccccn2)c2ccccc2C[C@H]1c1ccccc1 1730369 VIQVBGUQONMGJF-SFTDATJTSA-N 301.389 3.852 0 40 DHAB CC(=O)[C@H](C)Oc1c(-c2ccco2)oc2cc(C)ccc2c1=O 1910959 JXRJPXUNWALSCF-LBPRGKRZSA-N 312.321 3.718 0 40 DHAB CCCCc1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 1916361 OQZRTXYERPFKHX-UHFFFAOYSA-N 319.430 3.515 0 40 DHAB CCOc1ccccc1NC(=O)[C@H](NC(C)C)c1ccccc1 3414793 LVGGMEWBHPEMRF-GOSISDBHSA-N 312.413 3.763 0 40 DHAB Cc1cccc(C)c1NC(=O)CN1CCSc2ccccc21 7493291 XTOAHSKQHYTWSM-UHFFFAOYSA-N 312.438 3.854 0 40 DHAB CCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(C)o1 7974607 WFDFEFQSPSGCDS-UHFFFAOYSA-N 300.402 3.529 0 40 DHAB CN1CCCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 8178092 FBGSWTQHRQBART-UHFFFAOYSA-N 324.453 3.500 0 40 DHAB Cc1ccc(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)c(F)c1 8924850 QXJGJVWICWMJCN-SFHVURJKSA-N 315.344 3.505 0 40 DHAB C[C@@H](NC(=O)CSc1ccccc1)c1nc2ccccc2[nH]1 9883164 ROWKGRDOYFRLKH-GFCCVEGCSA-N 311.410 3.532 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)CCc1ccc2c(c1)OCO2 10406608 MFIDRIOLKFXGOS-UHFFFAOYSA-N 317.772 3.948 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 11740403 KOCNIRRKDSKTQI-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB c1cnc(-c2cnc(N3CCCCCC3)nc2-c2ccoc2)cn1 12252142 FPQKFBCWPDJFNS-UHFFFAOYSA-N 321.384 3.574 0 40 DHAB Cc1oc2ccc(O)cc2c1C(=O)N(C)[C@H](C)Cc1ccccn1 12325404 MSYBARKLWPFVTL-GFCCVEGCSA-N 324.380 3.545 0 40 DHAB CCOC(=O)c1sc2[nH]c(-c3ccccc3)cc(=O)c2c1C 12555559 UQRGNMBQOYDPAY-UHFFFAOYSA-N 313.378 3.742 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)cc1 13284255 QPZGKNPLRWBUHD-GFCCVEGCSA-N 311.410 3.991 0 40 DHAB COC(=O)c1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1 14630249 CTZCJJXKUDTCTO-UHFFFAOYSA-N 311.259 3.867 0 40 DHAB O=C(O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 15414070 GAUSLVKXUDKOGQ-UHFFFAOYSA-N 300.701 3.755 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCCC1 16445418 PQTGFOHPDIJJPE-IBGZPJMESA-N 324.424 3.779 0 40 DHAB Cc1cccc(OCCNC(=O)c2ccc(Cl)cc2F)c1 16492251 SEUSTMWBJIYXCL-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB CC(=O)O[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CCC[C@@]3(C)CC[C@H]12 17002201 GFPFWODQGPZXMQ-UJMXGEILSA-N 314.425 3.980 0 40 DHAB biogenic Fc1ccccc1Nc1noc2c1CN(Cc1ccncc1)CC2 19350101 KAMJJJVIJIKIPV-UHFFFAOYSA-N 324.359 3.511 0 40 DHAB C[C@H]1CN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C[C@@H](C)O1 20963693 JETKPNKLDQCJMG-GRYCIOLGSA-N 321.808 3.560 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)o1 21188352 YMDQUJHHIRTGPG-CYBMUJFWSA-N 319.426 3.506 0 40 DHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccc1F 22087963 SLNBOQXQPWDKQW-UHFFFAOYSA-N 321.355 3.752 0 40 DHAB Cc1ccnc(NC(=O)Cc2nc(-c3cccs3)oc2C)c1 24364538 FDAGBIMNZQXUMH-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB Cc1ccc(OC[C@@H](O)CN2CCCCC2)c(C(C)(C)C)c1 26781081 VJCMXUCBOXMTLY-INIZCTEOSA-N 305.462 3.518 0 40 DHAB Cc1cc(C)cc(OCCn2c([C@@H](C)O)nc3ccccc32)c1 27792427 FLWWKKHGFWAINF-OAHLLOKOSA-N 310.397 3.785 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)C[C@@H]2C=CCC2)cc1OC 32830858 VZLCIFKCKHQSTB-UONOGXRCSA-N 303.402 3.627 0 40 DHAB O=C(C[C@@H]1C=CCC1)NCc1cccc(OCc2ccccn2)c1 32930607 QQCHUXABOFGVTO-MRXNPFEDSA-N 322.408 3.633 0 40 DHAB Cc1ccc(Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 36393268 LFKJUCWQWXNZFX-ZIAGYGMSSA-N 317.458 3.804 0 40 DHAB CC(C)[C@@H](NC(=O)CN1CCCC[C@H]1C)c1ccc(F)cc1 40020148 OZRVVVJFFFLTPJ-RDTXWAMCSA-N 306.425 3.513 0 40 DHAB Cc1cc(Nc2cccc(OCc3ccccn3)c2)nc(C)n1 40091214 MHQOAVBHGXZPFP-UHFFFAOYSA-N 306.369 3.811 0 40 DHAB COc1cccc(C(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c1 40268322 SKNQGIRBHSLWJW-UHFFFAOYSA-N 309.369 3.947 0 40 DHAB CN(C)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cn1 40540792 MHZUBTGSCDWBDW-AWEZNQCLSA-N 316.430 3.578 0 40 DHAB Cc1cn(CC(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc12 50610288 HHCBELIOMPGSKE-LJQANCHMSA-N 319.408 3.708 0 40 DHAB Cn1cc(C(=O)N2CCC(c3cccc4ccccc34)CC2)cn1 65610217 GHZSYWOWATZJED-UHFFFAOYSA-N 319.408 3.593 0 40 DHAB O=C1N[C@@H](c2nc(-c3ccccc3)cs2)Nc2ccccc21 66738603 PTOWFNHRTPMUFH-HNNXBMFYSA-N 307.378 3.664 0 40 DHAB Cc1cc(C)c(NC(=O)c2cccc(Br)c2)c(N)c1 70462822 OTZGVCLPHHYVKQ-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB CC(C)(C)[C@H]1CCCN(C(=O)c2cnc(N)c(Cl)c2)CC1 71202769 XVPWNLXOYREAGB-LBPRGKRZSA-N 309.841 3.606 0 40 DHAB Cc1cccc(N(C)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 72288136 UVGIXIYQQLTKAU-NWDGAFQWSA-N 300.324 3.722 0 40 DHAB Cc1ncsc1C(=O)Nc1ccc(F)cc1OCC1CC1 72293437 RGEAOYCCYBFACW-UHFFFAOYSA-N 306.362 3.632 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1 72328223 UQQYOXULQYCWAZ-LBPRGKRZSA-N 309.344 3.707 0 40 DHAB Cc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccccc2)cc1 72328944 UKPZLPCADIVGEK-CQSZACIVSA-N 305.381 3.876 0 40 DHAB CC(=O)N1CCC[C@@H]1c1cccc(NCc2ccccc2F)n1 72365804 YVPPVMFKJBLUIO-QGZVFWFLSA-N 313.376 3.516 0 40 DHAB CC(C)(C)[C@H](O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 75157881 PAOIBHIICDNADT-GFCCVEGCSA-N 319.232 3.912 0 40 DHAB CN1CCC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 82336884 XBXBPBIKAVKZHD-OAHLLOKOSA-N 310.397 3.759 0 40 DHAB O=C(CCc1ccccn1)N1CCC(=Cc2ccccc2)CC1 84525635 ITGRKZSYKXTTGZ-UHFFFAOYSA-N 306.409 3.720 0 40 DHAB CC[C@H](c1ccc(F)cc1F)[S@](=O)CC1CCOCC1 95439192 SYKZMCYVMUYRRV-QRWLVFNGSA-N 302.386 3.591 0 40 DHAB Cc1nc(-c2cc(C(=O)N3CCCC3)c3ccccn23)cs1 96154806 DRVQSCGWUQCNDL-UHFFFAOYSA-N 311.410 3.607 0 40 DHAB Fc1ccccc1N1CCC2(CC1)C[C@H](c1cccnc1)CO2 96220309 UANMSQMXOHJKQK-INIZCTEOSA-N 312.388 3.764 0 40 DHAB CN(C)c1ncccc1NC(=O)c1cccc(-c2ccoc2)c1 97022315 KTPRLGQLRUVTKI-UHFFFAOYSA-N 307.353 3.660 0 40 DHAB CC1(C)CC2=Nc3nonc3N[C@@H]([C@H]3CC=CCC3)C2=C(O)C1 102749706 MWHXXHXFNHBNND-HZMBPMFUSA-N 314.389 3.925 0 40 DHAB COc1ccc(C)cc1C[C@@H](Oc1ccc(C)c(C)c1)C(=O)O 225118465 NMGWPMKXJNMKFD-GOSISDBHSA-N 314.381 3.695 0 40 DHAB CCSc1nnc(NC(=S)Nc2ccc(F)cc2)s1 225461503 DWUZMQIYOBJSAQ-UHFFFAOYSA-N 314.436 3.598 0 40 DHAB O=C(O)[C@@H]1C[C@H](C(F)(F)F)CC2(C1)SCCCS2 225757992 SMMPSZKHQIZEAF-SFYZADRCSA-N 300.367 3.616 0 40 DHAB Cc1cccc(NC(=O)c2cc(Cl)cc3c2O[C@@H](C)C3)n1 252487498 HWZABGKZTVZIPA-JTQLQIEISA-N 302.761 3.619 0 40 DHAB Cc1cc(C)cc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1 408708951 NNYJUNZTQHTPLI-UHFFFAOYSA-N 324.424 3.682 0 40 DHAB c1ccc(C[C@H]2COC(c3cccc(-c4ccccn4)n3)=N2)cc1 1988182121 UNRXCCBESBKEFZ-INIZCTEOSA-N 315.376 3.532 0 40 DHAB CCC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 132559 QUIXHLVFZQWNCF-UHFFFAOYSA-N 324.332 3.784 0 40 DHAB O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCCCC1 212200 YJIJWKMUBGQTJC-INIZCTEOSA-N 320.864 3.565 0 40 DHAB CCCCCn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 1892636 SABCKKNDQJLCBQ-UHFFFAOYSA-N 322.430 3.522 0 40 DHAB C[C@@H]1C=C(COC(=O)Nc2ccccc2)ON1c1ccccc1 2028095 QVAXQKCAISITGO-CQSZACIVSA-N 310.353 3.959 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)cc1 3321697 GYLKYOAYRPAKHG-HNNXBMFYSA-N 308.425 3.634 0 40 DHAB CC(=O)OC[C@]12CO[C@H](c3cccnc3)[C@H](C(C)=C[C@H]1C)[C@H]2C 3999236 LANFJOBBEPUSIU-PXHWLCEJSA-N 315.413 3.551 0 40 DHAB CSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 4079474 CJJYPDYDPJDNCU-UHFFFAOYSA-N 301.396 3.666 0 40 DHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)/C=C/c1ccccc1)C2 4887115 FSKCEIFLUVCKHY-MVGRMIATSA-N 312.457 3.612 0 40 DHAB Cc1ccc2cccc(OCC(=O)Nc3cccc(F)c3)c2n1 5198712 SLINMZOPNMAHIN-UHFFFAOYSA-N 310.328 3.700 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1 6814739 WTNVRWQIBJTSDJ-UHFFFAOYSA-N 315.438 3.563 0 40 DHAB CCc1cccc(C)c1NC(=O)c1[nH]c(C)c(C(=O)OC)c1C 7814452 LJAPDICVNSDZAH-UHFFFAOYSA-N 314.385 3.541 0 40 DHAB CC(C)COc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 8612324 GXESBRNWHLSQJS-UHFFFAOYSA-N 314.385 3.841 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 8745810 SHEJZAUIPSNJER-WCBMZHEXSA-N 323.418 3.564 0 40 DHAB COc1ccc(NC(=O)c2ccc(SC)cc2)c(OC)c1 8751351 HPGDVLNAHXVKKR-UHFFFAOYSA-N 303.383 3.678 0 40 DHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(F)cc3)cc2NC1=O 9885406 HWOLGPDSVKFSCQ-SECBINFHSA-N 316.357 3.511 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 10701045 ZCUOUJLGUQWOTH-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB CCC(CC)(CC(=O)Nc1cc(Cl)ccc1F)C(=O)O 11263259 HRTPZJRCMOORHW-UHFFFAOYSA-N 301.745 3.699 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc2ncccc2c1 12143987 FVUGIGVESJLLPW-OXJNMPFZSA-N 316.408 3.595 0 40 DHAB CSc1nc2ccccc2n1CC(=O)c1cc(C)n(C)c1C 12556893 MHLNKPCOWXPLJK-UHFFFAOYSA-N 313.426 3.596 0 40 DHAB c1ccc(-c2cc3c(nc(N4CCCC4)n4ncnc34)s2)cc1 13681968 QRGVBNHYRAIZPK-UHFFFAOYSA-N 321.409 3.606 0 40 DHAB O=C(NCc1ccccn1)c1ccc(Oc2ccc(F)cc2)cc1 16180974 RGBUTUNPKKZOFC-UHFFFAOYSA-N 322.339 3.943 0 40 DHAB CC1(C)C[C@H]2C[C@](C)(CN2C(=S)NCc2ccccc2)C1 16578053 MGDNADWLORGFGA-YJBOKZPZSA-N 302.487 3.962 0 40 DHAB COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cn1 17296600 VPZZYPROHUIAAS-UHFFFAOYSA-N 308.790 3.718 0 40 DHAB O=C(c1ccc2ccccc2n1)[C@@H](O)c1ccc2ccccc2n1 17299677 TXCWGFLXCXNBQM-IBGZPJMESA-N 314.344 3.699 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)cc2)cc1 18131744 DIXBJKCUAOVPGY-SFHVURJKSA-N 313.397 3.975 0 40 DHAB COc1ccccc1NC(=O)NCCSc1ccccc1 18182397 CEFZTFTYJCXBAR-UHFFFAOYSA-N 302.399 3.609 0 40 DHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2C[C@H]2C)n1 19240129 OTODIUSYVOENSR-WQAKAFBOSA-N 306.456 3.569 0 40 DHAB Cc1cc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)c(C)s1 21890011 KCRYMCWFJLWTKX-NSHDSACASA-N 321.467 3.895 0 40 DHAB Cc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)n1 28194782 VYDGVQJZKQZPSF-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1C[C@H]1c1ccccc1 28246304 HEZQQKALHWKOSW-ROUUACIJSA-N 303.365 3.615 0 40 DHAB C[C@H]1Cc2cc(-c3cc(C(=O)O)c4ccccc4n3)ccc2O1 31775909 DUHXYVGXFLZVCF-NSHDSACASA-N 305.333 3.923 0 40 DHAB Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1 32200400 YAKDTRGCSDTVAO-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1cccs1 32204515 MTHCJTTUNNPQQJ-HNNXBMFYSA-N 324.405 3.567 0 40 DHAB Cc1cnc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)s1 32826758 RAINEGPESATZGY-UHFFFAOYSA-N 318.789 3.747 0 40 DHAB COc1ccc(NC(=O)c2csc(NC3CC3)n2)cc1Cl 36360817 GBSJQAYJAPCMSO-UHFFFAOYSA-N 323.805 3.632 0 40 DHAB Cc1cccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)c1C 36635402 YYRXKJUOQZFSMZ-INIZCTEOSA-N 322.408 3.664 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2ccsc2)c1C 40535806 KWCMJLUWYNYPQY-CQSZACIVSA-N 316.426 3.873 0 40 DHAB CCc1nc(NC(=O)c2nc(Cl)ccc2Cl)sc1C 44702300 JHJUJDBPMLBXAS-UHFFFAOYSA-N 316.213 3.968 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)C2CCCCC2)c1 45720523 SGOLEGTXMKPGDP-ZDUSSCGKSA-N 317.433 3.680 0 40 DHAB CCN(C)Cc1cccc(CNc2cc(Cl)nc(C)n2)c1 58179318 CNQSQASUTHXYPX-UHFFFAOYSA-N 304.825 3.502 0 40 DHAB CN(CCc1ccccn1)c1ccc(Br)cc1F 64349799 SLYXITIIUJSSHY-UHFFFAOYSA-N 309.182 3.662 0 40 DHAB CC(=O)Nc1ccc(-c2nccn2CCc2cccc(F)c2)cc1 67880558 MTPQJVMGCPOUJI-UHFFFAOYSA-N 323.371 3.890 0 40 DHAB Cc1cccc(NC2CCN(C(=O)CCC3CCCC3)CC2)n1 69946502 DNNZNGNIPXBRAW-UHFFFAOYSA-N 315.461 3.763 0 40 DHAB CCC[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)OCC 71921902 MSVGAPRLCDMMAG-LBPRGKRZSA-N 306.387 3.561 0 40 DHAB Cc1ccc(-c2csc(NC(=O)c3ocnc3C)n2)cc1C 72310345 AEOWRJYTSINBCU-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB CC1=C[C@@H](CN)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 72320886 HHMVCWYRMXYEAA-ULQDDVLXSA-N 311.473 3.929 0 40 DHAB biogenic,in-vitro CC(C)N1CCC[C@H](Cc2cccc(Br)n2)CC1 72343840 DIUMGBUTROKTHS-ZDUSSCGKSA-N 311.267 3.897 0 40 DHAB COc1ccc(C[S@](=O)[C@H](C)c2ccccc2F)cc1F 78556197 UWPGOQDMEPMPST-WSVYEEACSA-N 310.365 3.983 0 40 DHAB Cc1cc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)c(C)s1 84081756 LRMVBYXGPMEKFY-ZDUSSCGKSA-N 317.414 3.603 0 40 DHAB CC(C)N(C(=O)CN1CCC[C@H]1c1ccncc1)c1ccccc1 89869691 HYVIQWCXHCCSPM-IBGZPJMESA-N 323.440 3.660 0 40 DHAB O=C(NCc1ccccn1)c1cccc(NCc2ccsc2)c1 89883744 MWYTUIYDXMNYCW-UHFFFAOYSA-N 323.421 3.685 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSCc1ccon1 95418062 IBKMRBJLCCXOIU-NSHDSACASA-N 324.833 3.781 0 40 DHAB Cc1ocnc1COc1cccc(NC(=O)OC(C)(C)C)c1 95442474 WMKAOLRPZXIJIZ-UHFFFAOYSA-N 304.346 3.909 0 40 DHAB O=C(Nc1ccc(Br)cc1)C1[C@H]2[C@@H]3CC[C@H](C3)[C@@H]12 100059580 DDMPLNKPXYXIIP-XUEIOPPISA-N 306.203 3.680 0 40 DHAB C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(OC(F)F)c1 109034117 CZNYGZVUIOTWQF-MPXAEWJHSA-N 309.356 3.901 0 40 DHAB CCC[C@@H](C(=O)O)N1c2cc(OC)ccc2C(C)=CC1(C)C 223215793 FBQAMVVDGKJMQW-HNNXBMFYSA-N 303.402 3.950 0 40 DHAB Cc1ccc(C)c(CC(=O)NCCOc2cccc(C)c2C)c1 223943309 JRYVJWULHQNJQD-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB CCOc1ccc(C[C@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225107192 REPFVRXIQSZRAW-SFHVURJKSA-N 314.381 3.777 0 40 DHAB S=C(NCCc1ccccc1)Nc1ccc2sncc2c1 225172482 PTLYMLHITSAVHC-UHFFFAOYSA-N 313.451 3.825 0 40 DHAB CCC[C@H](C)NC(=O)c1snnc1-c1ccc(Cl)cc1 225771686 FSDOPOPYOKTYFV-VIFPVBQESA-N 309.822 3.777 0 40 DHAB COCCC1(NC(=S)Nc2c(F)cccc2F)CCCC1 225860332 SGUJROTYCGYGJZ-UHFFFAOYSA-N 314.401 3.601 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cn1 225889060 MIKQXRSLESVUEV-RDTXWAMCSA-N 320.433 3.794 0 40 DHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251239091 SLWXHCPVXFBNLL-MWDXBVQZSA-N 301.430 3.766 0 40 DHAB CC1(c2nccs2)CCN(C(=O)CCc2cccs2)CC1 257260516 LDFBWRRBZDJEKH-UHFFFAOYSA-N 320.483 3.718 0 40 DHAB COc1cccc(-c2nc(O)c3c(C)c(C)sc3n2)c1OC 408734562 IADORPWMOGJQJP-UHFFFAOYSA-N 316.382 3.698 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O 409013460 ACXLKRZLPBLTRF-FBWGLTFQSA-N 319.382 3.559 0 40 DHAB Cc1ccccc1C(=O)NC[C@H](c1cc2ccccc2o1)N(C)C 575622157 WTTNKUMVJAIICW-QGZVFWFLSA-N 322.408 3.774 0 40 DHAB CCCc1nc(C)c(CN2CCCc3c(C(=O)O)cccc32)o1 581948855 DXHMTONHZUUWLB-UHFFFAOYSA-N 314.385 3.587 0 40 DHAB Cc1cccc(C(=O)N2CCC[C@H](COc3cccc(C)n3)C2)c1 1775969411 QATUXCKWONCPFW-KRWDZBQOSA-N 324.424 3.630 0 40 DHAB Cn1nc(C(C)(C)C)c2cc3c(F)c(F)c(F)c(F)c3nc21 383909 XWAKJCMEIBKIBG-UHFFFAOYSA-N 311.282 3.975 0 40 DHAB O=c1oc2ccccc2n1CSc1nc2ccccc2s1 495751 BRHLUJVLPMNGRC-UHFFFAOYSA-N 314.391 3.954 0 40 DHAB CC(C)CCSc1nc(N)c2cc3c(nc2n1)CCCC3 528412 QBELHJOQQPDYJL-UHFFFAOYSA-N 302.447 3.624 0 40 DHAB CCN(CC)Cc1ccc(NC(=O)COc2ccccc2)cc1 568284 NRDSDJKEOXPHFS-UHFFFAOYSA-N 312.413 3.546 0 40 DHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc([N+](=O)[O-])c1 573369 JJWVCBOFJSUJGH-QPEQYQDCSA-N 300.701 3.741 0 40 DHAB CCC(=O)NCc1nc2ccccc2n1Cc1cc(C)ccc1C 2721267 BZPPPIALIIPYIT-UHFFFAOYSA-N 321.424 3.728 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 2764782 NJXIIRNIYDRDJW-KXBFYZLASA-N 309.409 3.956 0 40 DHAB O=C(CCCc1nc2ccccc2s1)NCc1ccccc1 3480609 AKKCFNWUMPDSLG-UHFFFAOYSA-N 310.422 3.935 0 40 DHAB O=c1sc2ccccc2n1CCOc1ccc(Cl)cc1 4539519 MEMFPRJMEPDPPR-UHFFFAOYSA-N 305.786 3.795 0 40 DHAB Cc1nc(NC(=O)CN2CCCCC2)sc1-c1ccccc1 4677384 DNBSFXNLTUCKCZ-UHFFFAOYSA-N 315.442 3.543 0 40 DHAB Cc1ccccc1-c1ccc(=O)n(Cc2ccc(Cl)cc2)n1 5409897 ARFXPQUMHIFRMN-UHFFFAOYSA-N 310.784 3.920 0 40 DHAB COc1ccc(NC(=O)c2ccc(CSC)cc2)c(OC)c1 5461308 TWVOWMHYPRJLTB-UHFFFAOYSA-N 317.410 3.819 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 5865151 VCRFNCVCOBCVLB-SNVBAGLBSA-N 309.287 3.818 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1C 6316460 LLJMMBBBSLYNGK-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CC(C)c1noc2nc(-c3ccccc3F)cc(C(=O)O)c12 8394166 PNCHGWSFBQBBPV-UHFFFAOYSA-N 300.289 3.851 0 40 DHAB Cc1csc(SCc2cc(=O)oc3cc(O)ccc23)n1 8751596 ZIKLUYMSZGFINQ-UHFFFAOYSA-N 305.380 3.556 0 40 DHAB Cc1ccc(C)c(NC(=O)CSc2nncc3ccccc23)c1 8867324 HBZVUKMPARZUFQ-UHFFFAOYSA-N 323.421 3.977 0 40 DHAB CCCCNC1=NN=C(c2cc(C)n(C3CC3)c2C)CS1 8943857 IBHIMVJSMSRGSJ-UHFFFAOYSA-N 304.463 3.636 0 40 DHAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccccn1 9221255 ZLGBHWPVLRKMGC-UHFFFAOYSA-N 311.772 3.522 0 40 DHAB COc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10327985 SDKGYWPIOXCHOD-UHFFFAOYSA-N 310.397 3.543 0 40 DHAB CCc1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)cc1 12493296 LTCULRWLSLQHHX-UHFFFAOYSA-N 308.381 3.711 0 40 DHAB O=C(Cc1cccs1)Nc1nnc(-c2cccc(Cl)c2)o1 12515118 BZEHEYGJYVIPNW-UHFFFAOYSA-N 319.773 3.633 0 40 DHAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(Cl)c1 13038340 LPIQBFXXSMMTNJ-ZIAGYGMSSA-N 306.837 3.791 0 40 DHAB CCc1cccc(N2Cc3cc(Cl)ccc3OCC2=O)c1 13362929 BLJTXEUTPBSINH-UHFFFAOYSA-N 301.773 3.828 0 40 DHAB CCCCc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14022392 RGYDNROHQSYLBF-UHFFFAOYSA-N 324.380 3.612 0 40 DHAB Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)s1 14171023 PVRMYBFUANGJRQ-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB Cc1csc2nc(-c3cccc(C(F)(F)F)c3)[nH]c(=O)c12 14187769 GZJZJXRZUSTQBV-UHFFFAOYSA-N 310.300 3.979 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@@H](C)[C@@H]1C 14360279 QLYHNZAWWXYRRP-AOIWGVFYSA-N 316.489 3.838 0 40 DHAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc2c(c1)CCCC2 15092293 XFNFCMGMPXRAKQ-CYBMUJFWSA-N 319.408 3.933 0 40 DHAB CC(CNC(=O)c1ccncc1)(c1ccccc1)c1ccccc1 16176670 XFYFZPXMVIUJCV-UHFFFAOYSA-N 316.404 3.818 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 17289091 DDKODXILKUUTQJ-UHFFFAOYSA-N 322.408 3.855 0 40 DHAB Cc1[nH]c2c(-c3ccccc3)cnn2c(=O)c1Cc1ccccc1 18205632 ZEQPODMTCXPISV-UHFFFAOYSA-N 315.376 3.589 0 40 DHAB c1csc(-c2noc([C@H]3CCN(Cc4ccsc4)C3)n2)c1 19344697 KOIGCNRRLSWDRI-LBPRGKRZSA-N 317.439 3.849 0 40 DHAB Nc1nc(-c2ccc(NC(=O)c3ccccc3F)cc2)cs1 20341103 PRDGJKGVUDIRDA-UHFFFAOYSA-N 313.357 3.784 0 40 DHAB O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccncc1 20799251 DGFHZMAZKIFBNF-UHFFFAOYSA-N 313.360 3.507 0 40 DHAB O=C(c1cc(-c2csc(-c3ccco3)n2)c[nH]1)N1CCCC1 25204756 OTVKVFYYZRQHBP-UHFFFAOYSA-N 313.382 3.634 0 40 DHAB CCN(C(=O)c1ccc(OC)cc1)c1nc2ccccc2s1 26906038 GULMVMYFRGJXOL-UHFFFAOYSA-N 312.394 3.972 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1 30844089 UJGQBONSWQAOCV-DNVCBOLYSA-N 309.409 3.859 0 40 DHAB COc1ccc(COC(=O)c2cc3c(s2)CCC3)cc1F 32911121 SDWVLDIBOOSSTG-UHFFFAOYSA-N 306.358 3.742 0 40 DHAB Nc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1 39158055 IMOHCLSKYHVGQC-UHFFFAOYSA-N 324.405 3.796 0 40 DHAB CCc1c(-c2ccc(Br)cc2)nc2scnn12 40963490 WBWNIARHHDMBFR-UHFFFAOYSA-N 308.204 3.783 0 40 DHAB CC(C)(C)c1cc(Br)ccc1OC[C@H]1CCNC1 42770462 ZUQXZXCUQOJKKV-NSHDSACASA-N 312.251 3.735 0 40 DHAB CC(=O)Oc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1 43209753 RSGWXZBUKINPEM-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB Cc1ccc(CN(C(=O)CSc2ccccc2)C2CC2)o1 46282318 QQXHNBFXIGDGMB-UHFFFAOYSA-N 301.411 3.871 0 40 DHAB CC(C)(C)[C@H](NCc1cccc(C(N)=O)c1)c1ccc(F)cc1 53644041 YXEYOGUMGJSKQX-QGZVFWFLSA-N 314.404 3.802 0 40 DHAB Cc1ccc(NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 59369205 AKMVKJGKSXYJAK-UHFFFAOYSA-N 321.380 3.768 0 40 DHAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@H]1c1ccsc1 71851675 GRLJSDNKBZTBKZ-MRXNPFEDSA-N 313.422 3.589 0 40 DHAB Cn1ncc(N[C@H](c2ccc(Cl)cc2)C2CC2)c(Cl)c1=O 73771303 RSHJXMAFNVPVAJ-AWEZNQCLSA-N 324.211 3.650 0 40 DHAB CN(C(=O)c1ccncc1)c1ccc(Oc2ccccn2)cc1 79358309 SWKXEVWTPLWREC-UHFFFAOYSA-N 305.337 3.546 0 40 DHAB CCc1nc2c(s1)[C@@H](N(C)Cc1noc(C(C)C)n1)CCC2 89295789 JFBRBAYHUIHLTJ-LBPRGKRZSA-N 320.462 3.721 0 40 DHAB CCc1noc([C@@H](C)Nc2cccc(N3CCCCC3)c2)n1 95959775 VELJXXUWBHRWGI-CYBMUJFWSA-N 300.406 3.795 0 40 DHAB Cc1nnc(CSCCOc2ccccc2C(F)(F)F)o1 95965646 MEAFGSLDGRPEHU-UHFFFAOYSA-N 318.320 3.709 0 40 DHAB C[C@H](CNc1nc(-c2ccccc2Cl)cs1)[S@](C)=O 96009752 GBALDOHNQQEWMS-AYLIAGHASA-N 314.863 3.642 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 101014795 NJBXUUQCPXNLGW-LBLXLQPISA-N 322.191 3.695 0 40 DHAB S=C(Cc1ccc(C2CCCCC2)cc1)N1CCOCC1 196295534 WGUXGSQYKQLDDV-UHFFFAOYSA-N 303.471 3.936 0 40 DHAB COc1cccc(O[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)O)c1 225080380 NMDJCJINWHTJNO-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 225724701 ABWYKFRZSVSZCD-SFHVURJKSA-N 305.418 3.926 0 40 DHAB CC(C)(C)c1cnc(C2CCN(C(=O)c3ccccc3)CC2)o1 227163842 XVRSCRHPHVFWTN-UHFFFAOYSA-N 312.413 3.992 0 40 DHAB Cc1cc(CC2CCN(C(=O)c3cccs3)CC2)ccn1 257219511 DHAYJVQHECXRQE-UHFFFAOYSA-N 300.427 3.546 0 40 DHAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1 257324341 WOFMXDBBBPOGEL-ZDUSSCGKSA-N 311.410 3.563 0 40 DHAB Cc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1Cl 409198523 BRJNYXOLRABTGK-UHFFFAOYSA-N 300.789 3.603 0 40 DHAB CN(Cc1ccco1)[C@H](C(=O)O)c1ccccc1C(F)(F)F 568281275 FKRASXQOJIQKFC-ZDUSSCGKSA-N 313.275 3.556 0 40 DHAB Cc1cc(C)c(NC(=O)[C@@H]2COc3ccccc3O2)c(Cl)c1 145404 BFJBOFZAPIEZCG-HNNXBMFYSA-N 317.772 3.735 0 40 DHAB CCc1cc(C(=O)c2ccc(Br)cc2)c(N)s1 414587 DKGWZIZXXTUKHX-UHFFFAOYSA-N 310.216 3.886 0 40 DHAB Cc1cccc(C)c1NC(=O)Oc1cc(C(F)(F)F)n(C)n1 1393836 POUFLXXNHIOJJI-UHFFFAOYSA-N 313.279 3.667 0 40 DHAB CCCOc1ccc(/C=C2/SC(=S)N=C2O)cc1OC 2536786 LBMSMTHZJWLOPX-XYOKQWHBSA-N 309.412 3.813 0 40 DHAB O=C(Cc1ccsc1)Nc1ccc(Br)cc1F 3284093 LOZREBNAVLJMHC-UHFFFAOYSA-N 314.179 3.831 0 40 DHAB CSc1ccccc1NC(=O)COC(=O)c1cccc(C)c1 3443118 SMULPQWJWRKCGH-UHFFFAOYSA-N 315.394 3.512 0 40 DHAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 4314907 XJHLSZKLIKNGSK-UHFFFAOYSA-N 319.408 3.891 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)o2)C1=O 4739659 GZTONNSWUXKBOU-BVRAVYJCSA-N 320.414 3.715 0 40 DHAB COc1ccccc1-n1cnnc1SCc1ccccc1F 4895082 DLVUVVQHUQFXSN-UHFFFAOYSA-N 315.373 3.707 0 40 DHAB CCCCN1C(=O)S/C(=C\c2ccc(OC)cc2OC)C1=O 5552383 XZIOZKGKBQKQSN-ZROIWOOFSA-N 321.398 3.540 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)CCCc2cccs2)c1 5609402 UBMYDBOCFYSMAY-UHFFFAOYSA-N 317.410 3.805 0 40 DHAB CCOC(=O)c1cc(-c2ccco2)nn1-c1ccc(C)cc1C 5783311 PNPXMCVWPSEVTQ-UHFFFAOYSA-N 310.353 3.926 0 40 DHAB O=C(Cc1coc2ccc3ccccc3c12)NCc1ccncc1 6623584 LPZHYFVOSFAGHO-UHFFFAOYSA-N 316.360 3.840 0 40 DHAB Cn1ccc(C(=O)Oc2ccc(Nc3ccc(F)cc3)cc2)n1 8306623 MMUBIOXEAPELLL-UHFFFAOYSA-N 311.316 3.522 0 40 DHAB COc1ccccc1NC(=O)/C=C/c1ccc2ccccc2n1 9368297 JKXKPDGZZPJJLP-OUKQBFOZSA-N 304.349 3.895 0 40 DHAB Cc1cc(-n2nc(C)cc2C)n2ncc(-c3ccc(F)cc3)c2n1 9418987 LQXMZXUHRJFVME-UHFFFAOYSA-N 321.359 3.646 0 40 DHAB Cc1ccc(C(=O)CCC(=O)Nc2nc(C)c(C)s2)s1 9497548 HXHLHEGVVZRLND-UHFFFAOYSA-N 308.428 3.731 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503859 LWPNIVAYEVGXKF-HNNXBMFYSA-N 311.429 3.849 0 40 DHAB CCC(=O)Nc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 11436167 UTMPLXFFXJAXKK-UHFFFAOYSA-N 315.398 3.507 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccccc1F 12780195 NJMUBMDKOFYIPT-SNVBAGLBSA-N 307.752 3.979 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1 13094482 SMGFBBNJZVFTPK-RMKNXTFCSA-N 301.729 3.690 0 40 DHAB Cc1cccc(CCCNC(=O)CSCc2ccccc2)c1 13645961 IDWCUWSBEFBWHA-UHFFFAOYSA-N 313.466 3.977 0 40 DHAB Cc1cc(C(=O)CSc2nc(C(C)C)n[nH]2)c(C)n1C1CC1 14110471 ARQDRZLHCNGFDH-UHFFFAOYSA-N 318.446 3.656 0 40 DHAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccco2)CC3=O)cc1 14164228 MQQZZBDNVLUHII-CYBMUJFWSA-N 322.364 3.695 0 40 DHAB CCCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1 14796046 CJGLQLWDPLPDCS-UHFFFAOYSA-N 311.385 3.861 0 40 DHAB Cc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2C)cc1 16311700 KHEIHTKVCQFMNW-UHFFFAOYSA-N 317.352 3.601 0 40 DHAB CC(=O)Nc1ccc(CNCCc2cccc(Cl)c2)cc1 17314475 IBYLYDQGBMRPMH-UHFFFAOYSA-N 302.805 3.631 0 40 DHAB in-vitro COc1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1 18167494 AVYZODVETQNZRF-UHFFFAOYSA-N 312.325 3.592 0 40 DHAB Cc1ccc(NC(=O)c2cccc(N)c2C)c(Br)c1 19405812 NFBZXFFCAKRHEQ-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2ccc(F)cc2)s1 19927616 KIHDROLSTULVNE-ZANVPECISA-N 308.403 3.758 0 40 DHAB Cc1cc(Br)cc(C)c1NC(=O)c1cccc(N)c1 20030710 SEMIGDZOACADSN-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccc1 22087968 QFHGJSVSPRKXOV-UHFFFAOYSA-N 303.365 3.613 0 40 DHAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1ccco1 23732507 GOLVJJBUTQYCIU-NSHDSACASA-N 301.321 3.662 0 40 DHAB O=C(Oc1ccc(Cl)cc1)c1cccnc1N1CCCC1 25686358 BWAFRJVOYJCRSH-UHFFFAOYSA-N 302.761 3.554 0 40 DHAB CCCn1nccc1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28305750 FNRFVLGPVKGXMQ-HNNXBMFYSA-N 322.412 3.575 0 40 DHAB Cc1cccc(OC(=O)CCc2nc(-c3ccsc3)no2)c1 29470890 KVEOHSRJOZEBCV-UHFFFAOYSA-N 314.366 3.645 0 40 DHAB C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)C[C@@H](C)O1 36022439 LKWNBNQTKONFGF-BETUJISGSA-N 301.411 3.665 0 40 DHAB CCOC(=O)c1cc(Br)ccc1N1CCCCC1 39951713 ZLHBBSQVYFJAHX-UHFFFAOYSA-N 312.207 3.616 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)CCc1ccc(-c2ccccc2)o1 45000388 YTUMFCAPJJYNID-UHFFFAOYSA-N 323.396 3.868 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CN(c2cc(Cl)nc(N)n2)C2CC2)o1 58344419 FWOMNXJRWRFNSG-JOYOIKCWSA-N 318.808 3.598 0 40 DHAB O=C(Nc1ccc2ccccc2n1)c1c[nH]nc1-c1ccccc1 58406549 WHVTVXGWHWRJQC-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c(C)c1 59227411 SHZKTFALXWMACX-INIZCTEOSA-N 322.408 3.603 0 40 DHAB COc1ccc([C@@H](C)NC(=O)COc2ccc(C)cc2C)cc1 59351976 AYIYTBIQIRCQBC-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB Cc1cc(C(=O)N2CCC[C@@H](C)CC2)c2ccc(F)cc2n1 65479359 YUSHNJBYYZLEFF-GFCCVEGCSA-N 300.377 3.945 0 40 DHAB O=C(c1cc2ccccc2[nH]1)N(Cc1ccco1)CC(F)(F)F 69638886 BCFZUGWVMAOVHW-UHFFFAOYSA-N 322.286 3.966 0 40 DHAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(Cn2ccnc2)cc1 71997305 BKXPOAVCEODVST-UHFFFAOYSA-N 313.445 3.876 0 40 DHAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1N1CCCC1 72215989 BERSOEWIDDNYKT-GOSISDBHSA-N 321.424 3.659 0 40 DHAB C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nnc(C2CC2)o1 77176910 WZIOGNVJUIRDRT-NSHDSACASA-N 305.809 3.663 0 40 DHAB CCO[C@@H](C)c1nc(CN(C(C)C)C2CCOCC2)cs1 77322860 QDPAUEJDBPJMPP-ZDUSSCGKSA-N 312.479 3.630 0 40 DHAB Cc1ncc(C(=O)OCc2nc(Cl)ccc2Cl)s1 78446149 AGFYMAOHRMLSQV-UHFFFAOYSA-N 303.170 3.510 0 40 DHAB Cc1oc(-c2ccco2)nc1Cn1ccnc1-c1ccccn1 78715380 CSQIVAPWQYJDCF-UHFFFAOYSA-N 306.325 3.550 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1Cl 84183016 SHFNSQHTHHWPEC-CZUORRHYSA-N 321.852 3.596 0 40 DHAB Nc1ccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc1 89262424 KOHZXXHMSLWCQW-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB CC(C)(C)c1cc(N2CCC[C@@H]2C(C)(C)O)nc(C(C)(C)C)n1 95450203 RYCNSLKTSNETIG-CQSZACIVSA-N 319.493 3.811 0 40 DHAB O=S(=O)(c1ccccc1)n1cc(C(F)F)c2ccccc21 95629941 MSUPEOODEBESQD-UHFFFAOYSA-N 307.321 3.816 0 40 DHAB CC(=O)N1CCC2(CCc3ccc(-c4ccncc4)cc32)CC1 96241716 WTXQYTRTRLWQDN-UHFFFAOYSA-N 306.409 3.575 0 40 DHAB CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(Cl)o1 97051380 HYCMULZBWIOLAE-UHFFFAOYSA-N 322.792 3.646 0 40 DHAB C[C@H](NC(=O)c1cc(-c2cccs2)on1)[C@H]1C[C@@H]2CC[C@@H]1C2 101988459 PUSWQNOSDFODDA-UMSGYPCISA-N 316.426 3.958 0 40 DHAB COc1cccc2c(C=O)cn(C(=O)OCc3ccccc3)c12 199813539 VWDDABPNAARMFN-UHFFFAOYSA-N 309.321 3.647 0 40 DHAB O=C(OCc1ccccc1)c1snnc1-c1ccc(F)cc1 223842238 UJWYNKKMJYZGFD-UHFFFAOYSA-N 314.341 3.701 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)c(C)n1 225903704 CQTSKKLIFXKXHB-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(Cc1c(F)cccc1Cl)C2=O 226864101 LGNDLODOTFTMTR-APPDUMDISA-N 323.795 3.790 0 40 DHAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)cn1 257295677 QZKNTNWPAMFMFC-MRXNPFEDSA-N 312.388 3.624 0 40 DHAB O=C(CCC1CCCC1)N1CC(Cc2nccc3cc[nH]c23)C1 257337088 YRHNQOUWZDGACU-UHFFFAOYSA-N 311.429 3.534 0 40 DHAB Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)c(C)c1 260808104 FKXCYNCXQCXTJL-QGZVFWFLSA-N 322.452 3.875 0 40 DHAB Cn1ncc(NC(=O)C(C)(C)c2cccc(Cl)c2)c1Cl 585126415 YKVKCQCTWAPYOU-UHFFFAOYSA-N 312.200 3.643 0 40 DHAB Fc1cccc(F)c1CN1CCC[C@H](COc2ccncc2)C1 1776009261 WXBGPNRPAHFORE-AWEZNQCLSA-N 318.367 3.651 0 40 DHAB CC[C@H]1C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(F)cc1 89822 GXIPECVEQGBITQ-CABCVRRESA-N 304.361 3.969 0 40 DHAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccco1 364642 XHAOXRCWPDCTCA-QCDXTXTGSA-N 309.655 3.556 0 40 DHAB Cc1ccccc1Cc1nn2c(Cc3ccccc3)nnc2s1 385288 CGCJYGQDOUFKQV-UHFFFAOYSA-N 320.421 3.676 0 40 DHAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 412806 JTSWGTCCMGZYPA-UHFFFAOYSA-N 312.413 3.518 0 40 DHAB COc1ccc(CCNC(=N)[C@@H](C)c2ccccc2)cc1OC 502499 HIOYAHWBPJRPHG-AWEZNQCLSA-N 312.413 3.617 0 40 DHAB Cc1cc(C)c2/c(=N/C[C@H](C)O)cc(-c3ccccc3)oc2c1 1892291 VRKRUUVCLPQTQW-OSGFXRFRSA-N 307.393 3.998 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C)cc2)cc1 2638729 HQADLIFHVHIJGC-UHFFFAOYSA-N 311.381 3.995 0 40 DHAB CC[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)c1ccccc1 3216355 DTCXGNNNNVGIRA-INIZCTEOSA-N 315.344 3.501 0 40 DHAB O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccccc1Cl 4201492 IKXCZCJIIWTLGE-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CCN1C(=O)N/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 4702428 NKWQAIYWCVWFNB-UKTHLTGXSA-N 316.744 3.513 0 40 DHAB O=C(Oc1cccc(Cl)c1Cl)c1cn2ccccc2n1 5191495 HVTVKCKXVOXPOR-UHFFFAOYSA-N 307.136 3.860 0 40 DHAB CCn1nc(C)c(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 5658781 MTZPJXLNQQFIBO-UHFFFAOYSA-N 316.449 3.610 0 40 DHAB CC(C)NC(=S)Nc1ccc(OCc2ccccc2)cc1 6327744 RWJVLHJRDZKJBK-UHFFFAOYSA-N 300.427 3.960 0 40 DHAB CCCOc1ccc(-c2csc(NC(=O)CSC)n2)cc1 6589312 QZGLQRHJHAUHST-UHFFFAOYSA-N 322.455 3.900 0 40 DHAB Cn1cc(C(=O)NCCCOC2CCCCC2)c2ccccc21 6989297 WKUJFAUGTGCZKK-UHFFFAOYSA-N 314.429 3.648 0 40 DHAB O=C(Cc1cccc(F)c1)NCc1ccc(Cl)cc1Cl 7264599 OMRSPYDUVAYIAX-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCCC1 7377521 BKBDTSAMMFCMSB-SNVBAGLBSA-N 301.217 3.806 0 40 DHAB COCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 7400045 CKQOTAZECPXAED-UHFFFAOYSA-N 320.186 3.848 0 40 DHAB COc1cc(C(=O)O)cc(Cl)c1OCc1ccccc1F 7604002 UBQCBWVNIYMLNW-UHFFFAOYSA-N 310.708 3.765 0 40 DHAB COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C(C)C 8477686 AGELLWVZDDKUAI-UHFFFAOYSA-N 323.389 3.759 0 40 DHAB C[C@H](Cc1nnc(NC(=O)c2ccco2)s1)c1ccccc1 9095408 GGRLFUPCDHEXMD-LLVKDONJSA-N 313.382 3.730 0 40 DHAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1 9229913 KHYMAAQGPMRMNW-UHFFFAOYSA-N 300.333 3.817 0 40 DHAB C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1 13135706 FGFNQPDJJIIYQZ-GASCZTMLSA-N 311.381 3.728 0 40 DHAB S=C(NCCc1ccccc1)c1ccc(Br)cc1 13547008 PYIMJSOUEQKVIQ-UHFFFAOYSA-N 320.255 3.957 0 40 DHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc[nH]c1=S 14189858 MKTKQGNJCACXJT-UHFFFAOYSA-N 313.209 3.981 0 40 DHAB COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 14790073 YVOBBAVQMWXCDJ-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB COc1ccc([C@H](C)NC(=O)CCc2ccccc2)cc1F 19312099 WEHKROXOMDBZLL-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB O=C(N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccncc1 19373852 JAQORNMJQZBIJX-RDGPPVDQSA-N 306.409 3.784 0 40 DHAB CCC(CC)C(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19500157 MHLGFCGQNQOYGI-INIZCTEOSA-N 312.417 3.571 0 40 DHAB Nc1ccc2oc(Cc3ccc(Br)cc3)nc2c1 19519156 XRVBMMHYFYVGPF-UHFFFAOYSA-N 303.159 3.763 0 40 DHAB CN1CC2=Cc3ccccc3OC23Oc2ccccc2C=C3C1 20477076 AEYQPEUDXAQAFL-UHFFFAOYSA-N 303.361 3.580 0 40 DHAB COc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(N)c1 21510837 HBTQEUPOHVCUME-UHFFFAOYSA-N 322.817 3.662 0 40 DHAB CCCCNc1ncc(-c2ccc(OCC)cc2)n1CCOC 23213138 OZFGDYDQXRGHJW-UHFFFAOYSA-N 317.433 3.807 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 24231684 UIAVODIDGSEKLU-QGPMSJSTSA-N 314.429 3.734 0 40 DHAB Cc1noc(C)c1C(=O)N1CC[C@@H](C)Sc2ccccc21 24584987 VKHOYQIGUPPAPO-SNVBAGLBSA-N 302.399 3.823 0 40 DHAB c1cc2c(cc1-c1csc(NC[C@H]3CCCO3)n1)CCC2 25665844 OZNMUAHVNLZXDN-OAHLLOKOSA-N 300.427 3.890 0 40 DHAB COc1cccc(C(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)c1 32094320 OHLGQMZAAXTPSH-UHFFFAOYSA-N 320.392 3.981 0 40 DHAB O=C(c1ccc(F)cc1F)N1CCC(c2ccccc2)CC1 32368051 UDRUWLXORIDSHE-UHFFFAOYSA-N 301.336 3.985 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccncc1Cl 32731833 HCNRDCKZRHBVHF-UHFFFAOYSA-N 314.694 3.935 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C(C)C)n2cnc3ccccc32)cc1 32932079 DJVJXEJRIKHTNM-LJQANCHMSA-N 321.424 3.858 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc2cccnc12 40025769 VJZLIGMZDIIITF-INIZCTEOSA-N 318.420 3.915 0 40 DHAB CCOc1ncccc1CNC(=O)Nc1cccc(Cl)c1C 40096512 YNMUZAHHIJWJFD-UHFFFAOYSA-N 319.792 3.764 0 40 DHAB O=C(CCCSc1ccccc1)N(C[C@@H]1CCOC1)C1CC1 44941073 KUOLAHZETKSSJU-HNNXBMFYSA-N 319.470 3.586 0 40 DHAB COCCOc1ccc(NC(=O)Nc2ccccc2F)c(C)c1 48354306 IOMNZMVVRILCCM-UHFFFAOYSA-N 318.348 3.803 0 40 DHAB C[C@H](c1ccccc1F)N(Cc1cccc(C(N)=O)c1)C1CC1 52837573 YAPSTWFNPPPALP-CYBMUJFWSA-N 312.388 3.650 0 40 DHAB CCOCCCNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 56730389 BAIXMCKGHSTSJJ-UHFFFAOYSA-N 317.389 3.507 0 40 DHAB CCCCCNC(=O)CSc1nc(C)c(C)n1CC(C)C 57944191 VYLAGLKMPLYNAL-UHFFFAOYSA-N 311.495 3.554 0 40 DHAB CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2F)CC1 67801196 LBMLHFPYKJGHAD-UHFFFAOYSA-N 322.424 3.562 0 40 DHAB CC(C)c1nnc(CN(Cc2cscn2)c2ccccc2)o1 71892954 GXEDXGDXNCUUJA-UHFFFAOYSA-N 314.414 3.856 0 40 DHAB O=C(NCc1ccccc1Cl)c1cn[nH]c1-c1cccs1 72329454 GXXJDYRCMCNXFD-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1cnc2ccccc2c1 72414311 BZZQFCTZJAWYME-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB CCC(=O)N1CC[C@@H](NCc2ccc3ccccc3c2)[C@H](C)C1 78897185 WUUXTDPQBHAPPB-DNVCBOLYSA-N 310.441 3.576 0 40 DHAB CCc1cc(CNC(=O)Nc2cccc([C@@H](C)SC)c2)[nH]n1 79028860 ZBRCDVIRGXYHIG-LLVKDONJSA-N 318.446 3.718 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)NCc1cccc(Cl)c1 79060081 HMDDPAZITYQAPJ-NSHDSACASA-N 306.818 3.532 0 40 DHAB CC(C)[C@@H](O)c1scc(Br)c1Br 85390782 KAMICUHRGPCNJT-SSDOTTSWSA-N 314.042 3.963 0 40 DHAB O=C(c1cccc(F)c1)c1ccccc1CN1CCSCC1 85651655 TWQZSIGLZXYOEQ-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB COc1cc(OC)c([C@@H](C)NCCc2ccccn2)cc1Cl 95419165 IOEGCWWQINLBEV-GFCCVEGCSA-N 320.820 3.646 0 40 DHAB O=C(OCc1ccc(Cl)nc1)c1c[nH]c2ccc(F)cc12 95966987 ZTRPZYQDHXVDNT-UHFFFAOYSA-N 304.708 3.712 0 40 DHAB CSc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1 97037152 FMRNZBCYSIZSBU-UHFFFAOYSA-N 313.470 3.880 0 40 DHAB Fc1cccc(F)c1-c1csc(COCc2ncc[nH]2)n1 97098504 JPPHAWYAJQNRGU-UHFFFAOYSA-N 307.325 3.528 0 40 DHAB COC(=O)/C(=C\c1cnc(C(C)(C)C)s1)c1ccncc1 98012564 JFEHRCXJBVZFNX-LCYFTJDESA-N 302.399 3.549 0 40 DHAB COc1ccc(-n2c(C)c(C)c3c(=N)n(CC(C)C)cnc32)cc1 101406394 JLFDKXPGXHWNFR-UHFFFAOYSA-N 324.428 3.588 0 40 DHAB C[C@@H]1[C@@H](NC(=O)CSc2nc3ccccc3[nH]2)CCC[C@H]1C 102213774 TZFRQNIHXODFHA-AGIUHOORSA-N 317.458 3.596 0 40 DHAB Cc1cccc([C@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)c1 102567666 KEZDCALFHKGLTP-QGZVFWFLSA-N 306.344 3.782 0 40 DHAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1Cl 206756742 OTQFOQCZGLIYNO-FOSCPWQOSA-N 313.825 3.978 0 40 DHAB CCCNC(=O)c1cc(N)ccc1NCCC1=CCCCC1 225456905 SVBFVLTWFOJPCF-UHFFFAOYSA-N 301.434 3.711 0 40 DHAB Cc1ccnc(NC(=S)NCCCSCc2ccco2)c1 225595449 YXQUSHKQLIBSOA-UHFFFAOYSA-N 321.471 3.593 0 40 DHAB CCCOC1(C(=O)Nc2ccc(OCC)nc2C)CCCCC1 225909599 AZXQFWLNQNQJQE-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB CC(C)NC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 227154381 HOLQCPPKQGAZLA-UHFFFAOYSA-N 305.809 3.508 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 252479730 BLQUQSCENCIJSW-SCZZXKLOSA-N 305.271 3.751 0 40 DHAB Cc1ccc(=O)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c1 257312014 UMAOSKPAYSVRCN-UHFFFAOYSA-N 319.360 3.570 0 40 DHAB COc1cc(C)nc(CN[C@@H]2CCc3sc(Cl)cc32)c1 574964549 KRQCLAQLGQRDFC-CYBMUJFWSA-N 308.834 3.891 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](c3cccs3)C2)c1 825164456 RJHXIGJMWCXCEK-CQSZACIVSA-N 321.467 3.543 0 40 DHAB O=C(NCC1(c2ccsc2)CCOCC1)Nc1cccs1 952990270 WXKNGFIXEYLNCV-UHFFFAOYSA-N 322.455 3.680 0 40 DHAB CCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615156179 KJORCIYOHLKRTK-HOTGVXAUSA-N 304.409 3.584 0 40 DHAB O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1 497131 KDDXOJOKTHRKDG-UHFFFAOYSA-N 308.406 3.915 0 40 DHAB Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 819392 RPZMRXPUQJHYAU-UHFFFAOYSA-N 313.382 3.718 0 40 DHAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)C(F)(F)F 2961401 MTYQHCUQBYIICX-UHFFFAOYSA-N 323.299 3.859 0 40 DHAB O=C(COC(=O)c1c(F)cccc1F)c1cccc(Cl)c1 3240583 QWVKRNPAIBHPPN-UHFFFAOYSA-N 310.683 3.658 0 40 DHAB Cc1cc2cc(CNC(=O)c3c(F)cccc3F)ccc2n1C 4061515 FYCLVAKESBLMPD-UHFFFAOYSA-N 314.335 3.695 0 40 DHAB CC[C@H](Sc1ccc(C)cc1)C(=O)Nc1nnc(C)s1 4174596 MRHKOSQUHXQSJO-LBPRGKRZSA-N 307.444 3.664 0 40 DHAB CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1 5179900 YJLBZGYUQPKVLM-UHFFFAOYSA-N 320.392 3.780 0 40 DHAB COc1ccc(C)cc1NC(=O)c1ccc(SC)cc1OC 5701514 ZLQYJTDAGIWSDA-UHFFFAOYSA-N 317.410 3.986 0 40 DHAB Cc1ccc2ncccc2c1NC(=S)NC(=O)c1ccccc1 5897579 QYYRMJQYFOYCRF-UHFFFAOYSA-N 321.405 3.670 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc3ccccc3c2)C1 6008127 ZIFHGHPZOZPZEN-JTDSTZFVSA-N 313.441 3.557 0 40 DHAB CNc1nnc(S[C@@H](C)C(=O)c2cc(C)ccc2C)s1 7102143 DGVLOICABHEYIR-JTQLQIEISA-N 307.444 3.560 0 40 DHAB COc1cc2c3c(c1)c1nnc(S)nc1n3C(C)(C)C[C@H]2C 7449523 AABZORBZLXINKC-MRVPVSSYSA-N 314.414 3.519 0 40 DHAB O=C(c1ccc(-n2cccn2)cc1)N1CC[C@@H]2CCCC[C@H]2C1 8340795 COWOELBGZXKGSO-RDJZCZTQSA-N 309.413 3.525 0 40 DHAB CCCNC(=O)N1CCc2sccc2[C@H]1c1ccccc1 9575881 POJKTCYWMZJFDQ-MRXNPFEDSA-N 300.427 3.815 0 40 DHAB CC(C)n1ncc2c(C(=O)N3CCC3)cc(-c3ccccc3)nc21 9577145 GDSVXZWJQXMXFK-UHFFFAOYSA-N 320.396 3.525 0 40 DHAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1nc2ccccc2[nH]1 12538808 MQCSDZAOISFQDX-LLVKDONJSA-N 313.788 3.636 0 40 DHAB Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 12551853 HYJIKPROCUJWEN-INIZCTEOSA-N 319.408 3.891 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1C 12746420 JVSOGTDNXPCTEM-QGZVFWFLSA-N 324.424 3.681 0 40 DHAB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cccn1 12849831 MKKJAWNBOVAFLR-MRVPVSSYSA-N 317.698 3.755 0 40 DHAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1Cc2ccccc2O1 12910968 VCCYBFMFWLGKIJ-CQSZACIVSA-N 323.270 3.527 0 40 DHAB CCc1sc(C(=O)Nc2cc(C)on2)cc1Br 13326672 JBAKDUVFUNINPP-UHFFFAOYSA-N 315.192 3.622 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 13701168 CGINZYHAJWMASF-UHFFFAOYSA-N 321.380 3.832 0 40 DHAB Fc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1F 13787562 QQWQMEOKBFRAOQ-UHFFFAOYSA-N 308.309 3.502 0 40 DHAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCC2 14246772 UGEANYAMFDLBTM-UHFFFAOYSA-N 319.401 3.530 0 40 DHAB CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 14303497 KQJFGBWZPUBRNN-UHFFFAOYSA-N 321.417 3.770 0 40 DHAB Cc1ccc(-c2nnn(Cc3cccc(C(F)(F)F)c3)n2)cc1 15128525 JCXKLNBJQZCKKU-UHFFFAOYSA-N 318.302 3.716 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1 15519676 VQHJYTYJNYUNNI-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB Clc1ccc(-c2csc(N3CCOCC3)n2)cc1Cl 16939781 BTFCXWCZWYFTAT-UHFFFAOYSA-N 315.225 3.954 0 40 DHAB Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(F)cc2)s1 19927625 KIHDROLSTULVNE-NOZJJQNGSA-N 308.403 3.758 0 40 DHAB Cc1ncc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)n1 19937164 UKJJVXGUIYJNLI-UHFFFAOYSA-N 313.254 3.504 0 40 DHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1C 27580204 SWCKJZKISRGMSM-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB CCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 27662750 JWUQMBFXAGSCQO-SFHVURJKSA-N 302.462 3.828 0 40 DHAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccccc1 32930532 DUYBXCKWIHRCEW-UHFFFAOYSA-N 304.349 3.804 0 40 DHAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccccc2)no1 33147597 WNZOMBWDMMXFFK-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB CC(=O)Nc1ccc(C)c(NC(=O)CCc2cccc(F)c2)c1 36391373 PHXJRGBVROWNLD-UHFFFAOYSA-N 314.360 3.664 0 40 DHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccccc1Cl 40108326 HUDGYLGSJKDWFL-BBRMVZONSA-N 309.837 3.594 0 40 DHAB COc1ccc([C@@H](O)c2ccccc2Br)c(OC)c1 40248060 FEWKHMIHRASCSX-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB CCOC(=O)CCCCCC(=O)c1ccc(CN2CCC2)cc1 43210890 YLCQBJIOARGKPV-UHFFFAOYSA-N 317.429 3.589 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2noc(C(C)(C)C)n2)o1 48302898 FVOMCYOBYSTLAV-YPMHNXCESA-N 303.406 3.716 0 40 DHAB Cc1cc(NC(=O)CSCc2ccc(F)cc2Cl)no1 57991567 YVVLBANBUJSCHW-UHFFFAOYSA-N 314.769 3.647 0 40 DHAB CSc1ccc(Cl)c(C(=O)Nc2nnc(C(C)C)[nH]2)c1 69419053 HHQKJTYUJDETKW-UHFFFAOYSA-N 310.810 3.556 0 40 DHAB Cc1cc(C)cc(C[C@H](CC(=O)Nc2ccccc2)C(=O)O)c1 71405943 NWCKMFLTGGLMFN-MRXNPFEDSA-N 311.381 3.576 0 40 DHAB CCN1C[C@@H](CN(C)c2nc3ccccc3o2)Oc2ccccc21 71794384 VUYASACXKHAWLZ-CQSZACIVSA-N 323.396 3.552 0 40 DHAB Cc1nc2ccccc2nc1N1CCO[C@@H](c2ccccc2)C1 71797886 HMAKMRVHIDPTJD-GOSISDBHSA-N 305.381 3.516 0 40 DHAB Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)cnc1N(C)C 72218657 KTBGJOMISICZLX-GOSISDBHSA-N 323.440 3.823 0 40 DHAB O=C(NC1CCCC1)c1ccnc2c(Br)cccc12 72243409 VDFNUBSBKLGAKW-UHFFFAOYSA-N 319.202 3.670 0 40 DHAB CCCOc1ccc([C@H](C)N[C@H](C)c2nnc(C)o2)cc1OC 72281407 VBJCLMFNRHYJPY-NWDGAFQWSA-N 319.405 3.587 0 40 DHAB COc1cc(CNc2ccc3[nH]ncc3c2)c2c(c1)C[C@@H](C)O2 84718072 WWGATDKFMXMAIR-LLVKDONJSA-N 309.369 3.507 0 40 DHAB C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccncc1Cl 95405212 BQLVTVQLLWJRJA-MEBBXXQBSA-N 306.818 3.504 0 40 DHAB CSc1ccc(CNc2ccn(CCc3ccncc3)n2)cc1 95415573 IMVYATVSUOYJCD-UHFFFAOYSA-N 324.453 3.855 0 40 DHAB c1cc(NCc2cscn2)cc(OCCN2CCCCC2)c1 95429062 RSGQTWFDMIDBQN-UHFFFAOYSA-N 317.458 3.620 0 40 DHAB O=C1C[C@@H](c2cccc(C(F)(F)F)c2)c2ccc(O)cc2N1 96335750 XSWHIGUGLJQECZ-ZDUSSCGKSA-N 307.271 3.885 0 40 DHAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1F 97229630 RACIXPNHACUEFU-AVYPCKFXSA-N 317.857 3.649 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(OC(C)C)cc1 100189406 OIUYRKDEEHHPFT-OXQOHEQNSA-N 323.440 3.834 0 40 DHAB CN(C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)C1CCCCC1 100832271 NYKSCGZFZQRKJK-MMTROXRISA-N 323.521 3.843 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 102356339 QHZIXUIYBQJPMF-KCQAQPDRSA-N 301.386 3.546 0 40 DHAB Cc1c(-c2ccccc2)[n+](=O)c(-c2ccc(F)cc2)c(C)n1O 136553648 QQXKKGKROMCLBT-UHFFFAOYSA-N 311.336 3.730 0 40 DHAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 224168025 JXNWORKXGIWHRL-UHFFFAOYSA-N 323.845 3.640 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1C 224283071 XAAXVLYRVHIXDL-UHFFFAOYSA-N 307.752 3.977 0 40 DHAB COCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OC 224396436 JEUDOBOQKBZZJB-UHFFFAOYSA-N 305.761 3.747 0 40 DHAB COC(=O)[C@@H]1C[C@H](C(F)(F)F)CC2(C1)SCCCS2 225757895 BTMMPHFRAPWXIM-BDAKNGLRSA-N 314.394 3.704 0 40 DHAB O=C(Nc1c(F)cccc1F)c1snnc1-c1cccs1 225788615 RMFYEPPLGCBHLL-UHFFFAOYSA-N 323.349 3.797 0 40 DHAB C[C@@H](O)c1ccc(NC(=O)c2ccccc2Br)cc1 226272938 LMPMVDAUKPODAD-SNVBAGLBSA-N 320.186 3.755 0 40 DHAB COc1ccc(NC(=O)C(C)(C)C)cc1-c1ccc(C(=O)O)o1 226352519 INGFTOXAXMJXLJ-UHFFFAOYSA-N 317.341 3.638 0 40 DHAB O=C(CSc1ccccc1)n1nnc2cccc(Cl)c21 226359640 DTLXVVHGXFQKAC-UHFFFAOYSA-N 303.774 3.517 0 40 DHAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)NC1CCCCC1 253399028 HZADEPRZWVKAAQ-JTQLQIEISA-N 320.414 3.519 0 40 DHAB biogenic,in-vitro Cc1cc(Cl)ccc1NC(=O)c1c[nH]c2ccccc2c1=O 408713240 PGIHMTDIOFQUIZ-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB CCCc1nc(-c2noc([C@H](F)Cc3ccccc3)n2)co1 572920486 CKCCGGZHKPSJPB-GFCCVEGCSA-N 301.321 3.930 0 40 DHAB O=S(=O)(NCc1cccs1)c1c(Cl)cccc1Cl 74766 QPLRKZVNXBOCPK-UHFFFAOYSA-N 322.238 3.533 0 40 DHAB O=C(c1ccc(F)c(F)c1)c1ccccc1CN1CCCC1 2515586 OHWGMDMVHRTKTN-UHFFFAOYSA-N 301.336 3.792 0 40 DHAB COc1cc(NC(=O)c2cc3c(s2)CCCC3)cc(OC)c1 2653352 LIWCHHZHVHKYOS-UHFFFAOYSA-N 317.410 3.896 0 40 DHAB COc1ccc(CC(=O)Oc2ccc(Cl)cc2C(C)=O)cc1 3288567 LPDOJCHXBRZVCJ-UHFFFAOYSA-N 318.756 3.699 0 40 DHAB CCCC(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3349626 XKOZEYDPYQKLMP-UHFFFAOYSA-N 323.698 3.641 0 40 DHAB CCOc1ccc(NC(=O)CSc2ccc(F)cc2)cc1 3492404 YOPHCHOVKVBYFN-UHFFFAOYSA-N 305.374 3.955 0 40 DHAB CC(C)(C)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1 3537773 YMLJPODXVNQLNO-UHFFFAOYSA-N 314.410 3.633 0 40 DHAB Cc1cccc(NC(=O)c2cnc(C(C)(C)C)c(Cl)n2)c1 3851957 TXOYQQIEIDVGSX-UHFFFAOYSA-N 303.793 3.988 0 40 DHAB biogenic Fc1ccc(-c2nnc3sc(/C=C/c4ccco4)nn23)cc1 4664960 GACDZCGOKUFFMK-BQYQJAHWSA-N 312.329 3.755 0 40 DHAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1 4813665 GZCKGJGAXVUCDU-LFIBNONCSA-N 323.373 3.606 0 40 DHAB CCCSc1nc2sc3c(c2c2ncnn12)C[C@H](C)CC3 5561100 DPLKIRRRDBEYHM-SECBINFHSA-N 318.471 3.966 0 40 DHAB C[C@@H]1CCCN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1 5722020 OHQWOUQOOHHSLW-ZLZJIPBDSA-N 311.510 3.701 0 40 DHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 6355914 JMGJDVRKPVEILW-XDNAFOTISA-N 319.489 3.918 0 40 DHAB COc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1 6920163 SVRCWFHQWTZLTE-UHFFFAOYSA-N 306.365 3.667 0 40 DHAB O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)C1CC1 9304943 VQWIYCLIGVRDET-UHFFFAOYSA-N 305.337 3.752 0 40 DHAB O=C(/C=C/c1nc2ccccc2s1)NCCc1cccs1 9690007 HDFAYDPQNVORNX-BQYQJAHWSA-N 314.435 3.730 0 40 DHAB Cc1ccc(C)c(Cn2nc(C)n3c(cc4sccc43)c2=O)c1 12114190 PNRNBLCNWXVQFF-UHFFFAOYSA-N 323.421 3.684 0 40 DHAB O=C(c1ccc2ncccc2c1)N1CCC(c2ccncc2)CC1 12117369 KCAGIEOYFRUSKP-UHFFFAOYSA-N 317.392 3.650 0 40 DHAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)cn1 12540998 BESNHSCGYRVUKP-CYBMUJFWSA-N 313.401 3.653 0 40 DHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCCCC1 12925008 FJNPUZDUOGWWHQ-UHFFFAOYSA-N 305.466 3.537 0 40 DHAB COC(=O)[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1 14092899 HZBIRLQNCBFRKD-DOTOQJQBSA-N 313.422 3.727 0 40 DHAB S=C(NCCSCc1ccccc1)Nc1ccccc1 18162772 YIPKFOGJCXEINM-UHFFFAOYSA-N 302.468 3.906 0 40 DHAB Cc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 20894004 FFIKUVXDDJEHFZ-UHFFFAOYSA-N 318.417 3.581 0 40 DHAB Cc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 22088247 XKUDYTQBVIPMNB-UHFFFAOYSA-N 317.392 3.922 0 40 DHAB C[C@@H](NC(=O)N(C)Cc1ccc2ccccc2c1)[C@@H]1CCCO1 23143733 QLRPKNHFXBLNQH-KDOFPFPSSA-N 312.413 3.549 0 40 DHAB Cc1noc([C@@H](C)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 27043286 KVKCLDKDMDFTAH-SECBINFHSA-N 300.362 3.990 0 40 DHAB O=C(Nc1ccccc1OC(F)(F)F)OCC(F)(F)F 32628861 YEFYKZRZNXFILP-UHFFFAOYSA-N 303.158 3.696 0 40 DHAB in-vitro CC[C@@H](CNC(=O)c1cc2ccccc2s1)N1CCCC1 32654048 RINUDAASZOHTDJ-AWEZNQCLSA-N 302.443 3.506 0 40 DHAB COc1ccccc1CCC(=O)Nc1ccc2ccccc2n1 32731978 JRJUHYSZAJKDNQ-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB CSc1ccccc1NC(=O)c1cccc(NC(C)=O)c1 32958657 NIGGWOXVHSKIOF-UHFFFAOYSA-N 300.383 3.619 0 40 DHAB CC[C@@H](O)[C@@H](O)/C=C\C/C=C\CCCCCCCCC(=O)O 36378899 IQWYIIPDFISFMV-JFONAIQOSA-N 312.450 3.826 0 40 DHAB biogenic,in-vitro Cc1cccc(C)c1NC(=S)NC[C@@H](C)N1CCCC[C@@H]1C 36847521 DUDCZGJOECMPLN-JKSUJKDBSA-N 319.518 3.853 0 40 DHAB COCCN(Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 40001158 WERNXQIMYLJWAW-UHFFFAOYSA-N 321.424 3.521 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)c1cc(N)ccc1N(C)C 40301628 KYNINCCEFZRROZ-UHFFFAOYSA-N 303.793 3.549 0 40 DHAB O=C(c1ccc(Cl)cc1F)N(Cc1ccncc1)C1CC1 42655069 LCMFTXYQULSAMU-UHFFFAOYSA-N 304.752 3.679 0 40 DHAB CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccncc2)s1 43009826 UIKDVFVMEMNWDJ-CQSZACIVSA-N 315.442 3.776 0 40 DHAB O=C(c1cccc(C2OCCO2)c1)c1cccc(C(F)(F)F)c1 43212572 YAJGMPPHTZVOSY-UHFFFAOYSA-N 322.282 3.982 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@@H](Cc1ccccc1)c1ccccc1 46764001 IZMCDNKOLDZEAX-OALUTQOASA-N 309.409 3.656 0 40 DHAB Cn1cc(C(=O)Nc2ccccc2Sc2ccccc2)cn1 54720096 PLUALNJFDNXOBX-UHFFFAOYSA-N 309.394 3.824 0 40 DHAB CC[C@H](C)[C@H](NCc1ccc(Cl)c(Cl)c1)C(=O)OC 57901104 RCORSZWEMPLIFI-ZANVPECISA-N 304.217 3.671 0 40 DHAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(C)cc1C 59351590 JWZCNOUDVYZQMB-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB O=C(NCc1ccccn1)N1CCC[C@H](c2ccccc2)CC1 67358896 XLACBRLMSIGJGJ-KRWDZBQOSA-N 309.413 3.561 0 40 DHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@H]1C[C@H]1c1ccccc1 67515922 GJTOUNVBQQBCPP-RDJZCZTQSA-N 323.440 3.801 0 40 DHAB Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cn[nH]n1 69518980 IJXIODQJKWSSGQ-ZDUSSCGKSA-N 322.368 3.505 0 40 DHAB Cc1ccc(NC(=S)Nc2cccc(C(N)=O)c2)cc1Cl 71761796 VTXYNWDRHVOZDG-UHFFFAOYSA-N 319.817 3.556 0 40 DHAB C[C@H](C1CC1)N(C(=O)c1cnc(-c2ccccc2)nc1)C1CC1 71839150 HPBSLWPOSLMGIJ-CYBMUJFWSA-N 307.397 3.547 0 40 DHAB CCCCC[C@@H](C)NC(=O)CN(C)Cc1cccc(Cl)c1 71862897 PZMLCTIOVSLGEQ-CQSZACIVSA-N 310.869 3.857 0 40 DHAB O=C(NCc1ccco1)Nc1ccccc1N1CCCCCC1 71902152 WRKRZUXDWKADRL-UHFFFAOYSA-N 313.401 3.982 0 40 DHAB Cn1ccc2c(NC(=O)Cn3ccc4ccccc43)cccc21 72324644 ARAPZJGXXGFUPU-UHFFFAOYSA-N 303.365 3.772 0 40 DHAB biogenic O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2cccc(F)c12 75630330 FHQUQRCUGGWIOO-UHFFFAOYSA-N 303.724 3.537 0 40 DHAB Cc1ccc([C@H]2CSCCN2C(=O)Cc2cccs2)o1 78934765 BAEAISCVOFYTAP-CYBMUJFWSA-N 307.440 3.509 0 40 DHAB O=C(NCc1ccccc1N1CCCC1)c1cccc2cc[nH]c12 79689539 RJJOSJSCTQTDFS-UHFFFAOYSA-N 319.408 3.698 0 40 DHAB CCOc1ccc(-c2nc(-c3cccc(F)c3)n[nH]2)cc1OC 85384477 ILCFPDMQYRHQOE-UHFFFAOYSA-N 313.332 3.685 0 40 DHAB OC1CCC(N[C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 90800062 BQCIMKOXTUIYCS-FAFZWHIHSA-N 315.457 3.672 0 40 DHAB CC[C@H]1CCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 95377523 PYISLCGMUKKGEM-INIZCTEOSA-N 310.401 3.940 0 40 DHAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=S)NCc2ccccc2)C1 100984412 MGDNADWLORGFGA-QAPCUYQASA-N 302.487 3.962 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 103051429 ZVIFKIHTQYLPRS-DXWTWGPWSA-N 301.430 3.703 0 40 DHAB Cc1cc(OCc2nnc(C3CCC3)n2C)c2ccccc2n1 192193158 WMPTZMMANRMKBY-UHFFFAOYSA-N 308.385 3.518 0 40 DHAB Cc1cc(C)cc(OCC(=O)n2c(C)c(CO)c3ccccc32)c1 218739375 YVEGOHGXOPUNOH-UHFFFAOYSA-N 323.392 3.778 0 40 DHAB O=C(NCCCN1CCCc2ccccc21)Nc1ccccc1 222628482 GIJAYPUWYUULDS-UHFFFAOYSA-N 309.413 3.651 0 40 DHAB O=C(NCCOc1ccccc1Cl)c1ccc(Cl)cc1 223370025 SDEWDECHBYAUNL-UHFFFAOYSA-N 310.180 3.802 0 40 DHAB CCOc1cc(CNC(=S)Nc2ccccc2)ccc1OC 225769858 JWHRJHQHVIZMGB-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB Cc1ccc(-c2nnsc2C(=O)Nc2ccccc2F)cc1 225773925 ZBBGAVZJXJOZTQ-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O=C(O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 226256423 HJPMLCUWFABFTK-ZZXKWVIFSA-N 311.106 3.946 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)o1 585116684 FPBBWRVUJVZQFD-SKDZVZGDSA-N 322.412 3.743 0 40 DHAB OC[C@@]12CCCC[C@@H]1CN(c1nc3c(F)cc(F)cc3s1)C2 1888870218 FDNODPIBMNIAML-HWPZZCPQSA-N 324.396 3.563 0 40 DHAB CCOc1ccccc1C(=O)NCCc1c(C)[nH]c2ccccc12 141665 XIMRYFKXRPRILH-UHFFFAOYSA-N 322.408 3.848 0 40 DHAB biogenic,in-vitro CCc1ccc(C)c(OC(=O)c2cncc(Br)c2)c1 364181 FKYUYLDMZSZBTO-UHFFFAOYSA-N 320.186 3.934 0 40 DHAB C[C@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 483240 GBBHOHINGZDKIB-LZGFCCKTSA-N 308.219 3.721 0 40 DHAB COc1ccc(NC(=O)c2cccs2)cc1Br 570559 WZKPGCYNUWVLSC-UHFFFAOYSA-N 312.188 3.772 0 40 DHAB O=C(COc1ccccc1Cl)NCc1ccc(Cl)cc1 1750387 KNSSBOLVVXAQKW-UHFFFAOYSA-N 310.180 3.689 0 40 DHAB CC[C@H]1C[C@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CCN(C2)[C@H]13 2029101 GZIPIZQXYGKJCX-UQFOYQTNSA-N 324.468 3.947 0 40 DHAB O=C(NCc1ccco1)c1cc(-c2ccc(Cl)cc2)on1 2465506 WOGSIOPIATXPQR-UHFFFAOYSA-N 302.717 3.518 0 40 DHAB Cc1cc(NC(=O)C2CCC2)n(-c2nc3ccccc3s2)n1 3232033 YOPLLFVABPSYFG-UHFFFAOYSA-N 312.398 3.529 0 40 DHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 3326790 RWTGIHCINVIKHO-SWLSCSKDSA-N 324.380 3.542 0 40 DHAB C[C@H](CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 4028056 XTBMRTNKDDLAMA-NZSAHSFTSA-N 315.457 3.988 0 40 DHAB biogenic O=C1Nc2ccccc2/C1=C\c1cccc(Br)c1 4932835 LYEPMDJQTHPUAP-UKTHLTGXSA-N 300.155 3.942 0 40 DHAB FC1=C(Br)[C@]2(F)[C@@H]3CC[C@@H](O3)[C@@]2(F)C(F)=C1F 5046683 GYYPJAYOWIUSLS-NRFIZSKQSA-N 317.051 3.704 0 40 DHAB CC(=O)Nc1ccccc1OCc1ccccc1Br 5111871 VQVVMSUHTODWGV-UHFFFAOYSA-N 320.186 3.987 0 40 DHAB C[C@H](Sc1nnc2ccccn12)c1nnc(-c2ccccc2)o1 5315788 LWIGUERGTZDGRC-NSHDSACASA-N 323.381 3.633 0 40 DHAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccccc1 5373862 IHYJQELFSACWQN-UHFFFAOYSA-N 320.392 3.628 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1 5675886 RMDVNDYJRZSQHO-RUDMXATFSA-N 307.271 3.764 0 40 DHAB COc1ccccc1NC(=O)CNc1ccc(F)c(Cl)c1 5825079 UFBIFEOBXHYQPP-UHFFFAOYSA-N 308.740 3.538 0 40 DHAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1CCc1ccccn1 6590339 RPWNEXRTCFTJPF-INIZCTEOSA-N 318.829 3.552 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCC2 6654622 VVHJMIHDXGQZSD-UHFFFAOYSA-N 309.365 3.589 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)SC(=S)N(CC)CC)cc1 6881839 PZYZZJMRBADDQV-LBPRGKRZSA-N 324.515 3.936 0 40 DHAB CCCNCc1ccc(OCc2ccccc2F)c(OC)c1 7262365 RCUGZVIDPCYOFL-UHFFFAOYSA-N 303.377 3.913 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1F 7920323 MLBDRRBEAVGKMQ-VQHVLOKHSA-N 313.328 3.689 0 40 DHAB O=C(Nc1nnc(-c2ccccc2F)s1)c1ccc(F)cc1 8743377 WEJPOJYQQMASSL-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB COc1ccc(NC(=O)C[C@@H](C)NCCC2=CCCCC2)cc1 8936015 PWOHVUGDQPMOLP-OAHLLOKOSA-N 316.445 3.892 0 40 DHAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](C(F)(F)F)C1 10286837 KJDTWGGCPPLOIM-GFCCVEGCSA-N 308.303 3.649 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CCc1c(C)nn(C)c1C 10661838 OLUNSPNRLCOADQ-UHFFFAOYSA-N 305.809 3.570 0 40 DHAB CCCCc1nnc2sc(/C=C/c3ccc(OC)cc3)nn12 11278328 MVRRKQDWAOILKG-DHZHZOJOSA-N 314.414 3.707 0 40 DHAB Cc1ccccc1NC(=O)c1cc(Br)ccc1O 11639294 UCPNDZLQOONEKC-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)C1CC1 17178228 DPXDJLWMTGLULK-UHFFFAOYSA-N 320.392 3.628 0 40 DHAB Cc1nc(-c2c[nH]c(C(=O)N3CCc4ccccc43)c2)cs1 21278586 WKQSNLAHXGHDJZ-UHFFFAOYSA-N 309.394 3.650 0 40 DHAB COc1ccc(-c2nc(Cl)n(-c3ccc(F)cc3)n2)cc1 22125415 LIMNVMLNEVWDFB-UHFFFAOYSA-N 303.724 3.735 0 40 DHAB CN(C)C(=O)c1ccc(NCc2c(F)cccc2Cl)cc1 25166759 TZWZXKZTFUHAHV-UHFFFAOYSA-N 306.768 3.793 0 40 DHAB COc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1Cl 27794114 PEEHMKLWSLJORI-UHFFFAOYSA-N 311.794 3.576 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C)cs1 27975863 QGMYUBQMBIWRKV-OAHLLOKOSA-N 316.426 3.736 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 32738307 DXDXNAPNMUTYKY-UONOGXRCSA-N 323.396 3.516 0 40 DHAB Cc1cc(=O)n2nc(Sc3ccc(C(C)C)cc3)sc2n1 32824974 PVCGFXVUVGYJPY-UHFFFAOYSA-N 317.439 3.734 0 40 DHAB CC(C)c1ccc(CSCC(=O)NCc2ccco2)cc1 33047588 SEPTWDSLJGRZLX-UHFFFAOYSA-N 303.427 3.953 0 40 DHAB CN(C)CCN(C)Cc1ccccc1Sc1ccccc1F 33892371 CJURUNISWCKFPK-UHFFFAOYSA-N 318.461 3.970 0 40 DHAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)c1 36635472 RLLMRWHJCSNANJ-MRXNPFEDSA-N 322.408 3.664 0 40 DHAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)cc1 38566772 WCRKLCUBFAMYKR-CQSZACIVSA-N 314.360 3.856 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc2ccccc2n1 40017273 SWOMFLHMXWOIAD-UHFFFAOYSA-N 320.348 3.535 0 40 DHAB Cc1ccccc1NC(=O)CSc1nncc2ccccc12 40489947 XPXVGKDCVIVJIT-UHFFFAOYSA-N 309.394 3.669 0 40 DHAB C[C@@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccncc1 43185830 DBWBNDZYVLWOFM-OCCSQVGLSA-N 301.415 3.751 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)CCOc1ccc(F)cc1 45318731 OAMVIQKERSXTOM-AWEZNQCLSA-N 301.361 3.814 0 40 DHAB Cc1cc(NC(=O)CCN(C)[C@H](C)c2cccc(Cl)c2)no1 51425891 DQFQTHGKCJDFBR-GFCCVEGCSA-N 321.808 3.658 0 40 DHAB Cc1cccc(C)c1N1CCN(Cc2ccc(Cl)nc2)CC1 52518720 VNJFRVCGHPNPOD-UHFFFAOYSA-N 315.848 3.674 0 40 DHAB Cc1ccnn1-c1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1 53082351 MWTYPKNGGUXLIR-LJQANCHMSA-N 317.392 3.768 0 40 DHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)COC1CCCC1 55736751 VLXKQVWIABVTLO-CYBMUJFWSA-N 312.413 3.573 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)N(C)CC2CCCC2)cc1 58422610 JCLUDLZYJGQTHO-UHFFFAOYSA-N 319.405 3.909 0 40 DHAB CCCCN(C(=O)CCc1c(C)nn(C)c1C)c1ccccc1 58475723 SNEZVPVWDMDTQU-UHFFFAOYSA-N 313.445 3.803 0 40 DHAB Cc1ccc(CSCCNC(=O)NC2CCCCC2)cc1 60845121 DJFVLWQFQGJZCB-UHFFFAOYSA-N 306.475 3.860 0 40 DHAB CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 68708946 VEVRPWOVEZKKPT-XJKSGUPXSA-N 320.408 3.873 0 40 DHAB Cc1cnn([C@@H](C)[C@H](C)NCc2cc(-c3ccccc3)no2)c1 69520682 DDRSUZLRZIGMMB-GJZGRUSLSA-N 310.401 3.586 0 40 DHAB Cc1cnn([C@@H](C)[C@@H](C)NCCCc2nc3ccccc3o2)c1 69655247 VAOQJDSUQCONNZ-CABCVRRESA-N 312.417 3.505 0 40 DHAB O=C(OCc1cc(Cl)ccn1)c1csc(-c2ccoc2)n1 72289663 LHHUUKHSWWEYGY-UHFFFAOYSA-N 320.757 3.809 0 40 DHAB O=C(O)C1(Cc2ccccc2-c2cccs2)CCOCC1 72343413 MNZYLPCUYZIDFQ-UHFFFAOYSA-N 302.395 3.839 0 40 DHAB Cc1cc(C)n([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n1 74121585 TUKDRCKTYBKDTN-LBPRGKRZSA-N 300.337 3.607 0 40 DHAB Clc1ccccc1C1(CNCc2ccccn2)CCOCC1 78602423 CGNLNGOUGJNAMI-UHFFFAOYSA-N 316.832 3.573 0 40 DHAB CSc1ccc(N(C)C(=O)CCCc2ccccn2)cc1 95396404 XAGDMUSAWGQWDE-UHFFFAOYSA-N 300.427 3.789 0 40 DHAB Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(-n3cncn3)cc1)CC2 95419441 FTSVKBAMOFXCJD-MGPUTAFESA-N 318.424 3.914 0 40 DHAB C[S@](=O)c1ccc(CNc2cnccc2OC(C)(C)C)cc1 95436196 MWGYWHNNQBPXSS-JOCHJYFZSA-N 318.442 3.608 0 40 DHAB CCOc1cccc(NC2CCN(Cc3ccccc3)CC2)n1 95948893 LASDKEREEVVDLR-UHFFFAOYSA-N 311.429 3.557 0 40 DHAB CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H]2C2CCCC2)s1 96454214 RPRAFKROIPYZMX-JSGCOSHPSA-N 322.474 3.954 0 40 DHAB Cc1n[nH]c(-c2ccc(-c3nc(-c4ccsc4)no3)cc2)n1 96469414 OXEGPFGELUZHOX-UHFFFAOYSA-N 309.354 3.559 0 40 DHAB c1coc(-c2nc(CNc3ccc(-n4ccnn4)cc3)cs2)c1 96482836 NENZGDDKNHIJDE-UHFFFAOYSA-N 323.381 3.596 0 40 DHAB c1ccc(Oc2ccc(CN3CCC(n4cncn4)CC3)o2)cc1 97236365 UCTSGSIQIMKRIW-UHFFFAOYSA-N 324.384 3.501 0 40 DHAB O=c1c2cc(Cl)ccc2nc(S)n1-c1ccc(F)cc1F 100435781 HPPVPBXAAJTMNK-UHFFFAOYSA-N 324.739 3.606 0 40 DHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2ccccc2o1 102400875 IXSIDIMNOWZTKU-FRRDWIJNSA-N 318.442 3.861 0 40 DHAB O=C(NCCc1ccccc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102854155 VDQQOAMVXVTTIM-FDCMFXBMSA-N 317.860 3.923 0 40 DHAB C[C@H](NC(=O)CCCOc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999231 WLHLXJWNOQGCPP-LHHMISFZSA-N 301.430 3.787 0 40 DHAB CN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 107540608 CSMYIWLVWJTCFC-DLBZAZTESA-N 314.816 3.515 0 40 DHAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(OC(F)F)c1 109034115 CZNYGZVUIOTWQF-UHXUCMFUSA-N 309.356 3.901 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1 113954684 PUOYDKIRBRXJSJ-ZDUSSCGKSA-N 317.816 3.986 0 40 DHAB C[C@H](NC(=O)N[C@H](C1CCCC1)C(F)(F)F)c1cccnc1 127974768 DJHZIJJMSLELOZ-GXFFZTMASA-N 315.339 3.563 0 40 DHAB O=C(NCC1CCCCC1)c1ccc(CN2CCCC2)cc1 224095344 UUALOKIVKZMNRY-UHFFFAOYSA-N 300.446 3.593 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC1CCCCC1 224119646 RKEIGWPEWOOXPV-AWEZNQCLSA-N 301.430 3.782 0 40 DHAB Cc1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1Cl 225584614 UYCVTTBXJJVEQN-MRXNPFEDSA-N 323.864 3.666 0 40 DHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12 225895498 DPGNVOCSKINHQG-GOSISDBHSA-N 316.401 3.777 0 40 DHAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)C(C)C 226287472 DUFZTCBEGLXQFW-UHFFFAOYSA-N 308.381 3.750 0 40 DHAB Cc1noc(C)c1-c1cccc(C(=O)NCC2CCCCC2)n1 257242707 IDTMQXVJFQKNKV-UHFFFAOYSA-N 313.401 3.664 0 40 DHAB CC(C)Cc1ncc(-c2nccnc2[C@H]2CCCN(C)C2)s1 257321567 WCEVAGSOBRGBTH-ZDUSSCGKSA-N 316.474 3.608 0 40 DHAB Cc1nc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)co1 585133221 BCQFZIKNGFASFP-UHFFFAOYSA-N 324.384 3.686 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257033 PKUZBSXOGIOMGU-IRXDYDNUSA-N 306.409 3.954 0 40 DHAB CC(C)c1nccn1CC1CN(c2ncccc2C(F)(F)F)C1 2087122868 FYHPCSZEKTXZSJ-UHFFFAOYSA-N 324.350 3.557 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(F)cc1 130785 YUFPUOLBCNOMEX-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1nc2ccccc2s1 339929 WZOQLBONZXGOPJ-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB CCN(CC)c1ccc(NC(=O)COc2ccccc2)c(C)c1 364245 XBXDAJUDKQFYJE-UHFFFAOYSA-N 312.413 3.859 0 40 DHAB Cn1ncc2c(Nc3ccccc3)nc(Nc3ccccc3)nc21 1576953 FWWWCRNPDBSXOM-UHFFFAOYSA-N 316.368 3.851 0 40 DHAB CC[C@H](C(=O)c1ccccc1)c1cccc2c1N(C(C)=O)CC2 1721216 BETPHMROWLUSHW-KRWDZBQOSA-N 307.393 3.972 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 1738324 NVFZNTUOXHQSPO-UHFFFAOYSA-N 302.305 3.646 0 40 DHAB CC(C)(Oc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1)C(=O)O 1846331 ASDCLYXOQCGHNT-HNNXBMFYSA-N 320.772 3.664 0 40 DHAB in-man Cc1ccc(NNC(=N)P(=O)(OC(C)C)OC(C)C)cc1 2270707 TZNZNYJDVSTKBL-UHFFFAOYSA-N 313.338 3.889 0 40 DHAB COCCn1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 2431293 NTHKBEGLLXRDQY-UHFFFAOYSA-N 318.380 3.601 0 40 DHAB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 2618671 XIWYNXYDHTULER-UHFFFAOYSA-N 306.321 3.524 0 40 DHAB O=C(NCc1ccccc1)c1ccccc1C(=O)c1ccccc1 3131897 ACGSXNGFVFYNBD-UHFFFAOYSA-N 315.372 3.848 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(F)cc1 3510807 FVXNVOXGZTXZJT-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1C 4077312 JSOUKOLKALRVRT-UHFFFAOYSA-N 322.408 3.530 0 40 DHAB C/C=C/[C@H]1OC(=O)N(C(=O)c2ccccc2)[C@H]1Cc1ccccc1 4592733 JRNNRRDFNWJDGN-OEQDEIAVSA-N 321.376 3.835 0 40 DHAB Cc1cc(OC[C@H](O)CN(C)C2CCCCC2)ccc1Cl 6008666 GGVNPHJWWXXEJG-OAHLLOKOSA-N 311.853 3.653 0 40 DHAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 7200544 ZRDNPSDUUPCZLR-WBVHZDCISA-N 311.429 3.526 0 40 DHAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1nccs1 7654984 FWBJZCIKHZBNPJ-SNAWJCMRSA-N 324.837 3.609 0 40 DHAB Cc1cccc(N2C[C@@H](C(=O)Oc3c(C)cccc3C)CC2=O)c1 7929072 UGHYAOVHISGHBO-INIZCTEOSA-N 323.392 3.570 0 40 DHAB CN1C(=O)Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc21 8297708 KNXFHTJYUOLFHI-UHFFFAOYSA-N 322.389 3.702 0 40 DHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1ccc(F)cc1 9159934 KSCRUKWSDPSRQE-UHFFFAOYSA-N 321.373 3.819 0 40 DHAB Nc1nc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)n[nH]1 9550193 DMHYVKLHJIQFHS-ZDUSSCGKSA-N 316.817 3.922 0 40 DHAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1 10339811 TWZOCONODCUIJH-LJQANCHMSA-N 322.408 3.665 0 40 DHAB COc1ccc2cc(CNC(=O)NCCC(C)C)ccc2c1 10495652 MIYYQCCSVFNXGE-UHFFFAOYSA-N 300.402 3.694 0 40 DHAB COc1cccc(OC)c1C(=O)NCCC1CCCCCC1 10542457 XLGHOLRTQAAPPR-UHFFFAOYSA-N 305.418 3.794 0 40 DHAB O=C(CCc1cc(Cl)no1)NC1(c2ccccc2)CCCC1 12143052 OTVCLKWHZCCJQL-UHFFFAOYSA-N 318.804 3.846 0 40 DHAB COc1ccc([C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1 12688793 MAQWROAWHKSZEC-SFHVURJKSA-N 322.364 3.511 0 40 DHAB Cc1cccc(-c2nn(CN3CCCCCC3)c(=S)n2C)c1 13073562 LSQLBSTUBLYORN-UHFFFAOYSA-N 316.474 3.760 0 40 DHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccccc2)c1 13795884 UYGJZWQVHWTADB-LBPRGKRZSA-N 314.410 3.521 0 40 DHAB Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1F 16985183 HBGALJPVMDJREN-UHFFFAOYSA-N 313.372 3.821 0 40 DHAB CCCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 17270436 QPTGNYFEMIECSU-UHFFFAOYSA-N 315.808 3.989 0 40 DHAB Cc1ccccc1Cn1cc(NC(=O)/C=C/c2ccccc2)cn1 27920443 MZLBXGXMXPCPQV-VAWYXSNFSA-N 317.392 3.892 0 40 DHAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1cccc(Br)c1 30466448 MOKIMKJGJUFKEU-RYUDHWBXSA-N 308.219 3.983 0 40 DHAB CSc1ccccc1NC(=O)CN(C)CC1CCCCC1 31038445 CWADPYPOGWBTPK-UHFFFAOYSA-N 306.475 3.859 0 40 DHAB Cc1cc(NC(=O)c2cccc(F)c2F)n(C2CCCC2)n1 32610566 URAODRGCSBFWIO-UHFFFAOYSA-N 305.328 3.837 0 40 DHAB CCc1cccc(N2C(=O)/C(=C\c3ccccc3)NC2=S)c1 32722756 QAYTWHYUTGALIK-FOWTUZBSSA-N 308.406 3.511 0 40 DHAB Cc1cc(C(=O)NC2CCCCC2)c(C)n1CC(F)(F)F 32850683 ZXAJIVDFKGOFJV-UHFFFAOYSA-N 302.340 3.730 0 40 DHAB Cc1cc(SCC(=O)O)c2cccc(C(F)(F)F)c2n1 34925916 ODKYBUQMFUUFBS-UHFFFAOYSA-N 301.289 3.739 0 40 DHAB O=C1[C@H](Oc2ccccc2)[C@@H](c2cccnc2)N1c1ccccc1 40156582 NIWSYXZTOCZBKV-RTBURBONSA-N 316.360 3.617 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)N1CCc2ccccc21 41539840 KOQRGNACDMFHGH-UHFFFAOYSA-N 307.393 3.534 0 40 DHAB CN(C)c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 44951575 RAEVOSJIFMMDLE-ZDUSSCGKSA-N 316.430 3.578 0 40 DHAB C[C@H](NC(=O)N[C@H]1CCSc2ccccc21)c1ccccn1 45559978 UORPWVCIQQNJBE-WFASDCNBSA-N 313.426 3.679 0 40 DHAB CCc1ccc2oc(-c3ccc(C)c(-n4cnnc4)c3)nc2c1 45920545 QPXOPNYIADMPMI-UHFFFAOYSA-N 304.353 3.946 0 40 DHAB CCCOc1ccc(CNC(=O)c2cc(F)ccc2F)cc1 46180285 HPJRBECMGJPMTK-UHFFFAOYSA-N 305.324 3.684 0 40 DHAB COC(=O)c1cccc(C(=O)N[C@H](C)c2cc(C)sc2C)c1 48236766 RNIYXNANWGADJV-LLVKDONJSA-N 317.410 3.643 0 40 DHAB COC[C@@H](C)Nc1nc(C2CC2)nc2sc3c(c12)CCCC3 65564721 PGDNQIXFXCKDNB-SNVBAGLBSA-N 317.458 3.894 0 40 DHAB Cc1noc(C)c1[C@@H]1CC(O)=Nc2c1cnn2C1CCCC1 71281861 IGKWWZYZKNFPQN-GFCCVEGCSA-N 300.362 3.727 0 40 DHAB CCc1[nH]c2ccc(CNc3cc(COC)ncn3)cc2c1C 71738821 ZQOJUQSWOJMVMZ-UHFFFAOYSA-N 310.401 3.587 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)C[C@@H](C)n2cccc2)n1 72286823 DWKKCCIXPLXXBS-CABCVRRESA-N 317.458 3.958 0 40 DHAB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cscn1 79000969 VTUGKDRUCPQLMO-UHFFFAOYSA-N 323.421 3.689 0 40 DHAB O=C(Nc1cc(C(F)(F)F)ccc1O)[C@@H]1C[C@@H]1c1cccnc1 81458872 YCSXCYYIRZGKQK-VXGBXAGGSA-N 322.286 3.548 0 40 DHAB CCN(Cc1ccccn1)C(=O)Nc1ccc(SC)c(F)c1 84333001 MTELYTZNDYMRNO-UHFFFAOYSA-N 319.405 3.997 0 40 DHAB Cc1ccc(SCC(F)(F)F)c(NCc2noc(C)n2)c1 86209678 BLNCPUKIEZIHIB-UHFFFAOYSA-N 317.336 3.953 0 40 DHAB CCc1nc(N)sc1-c1nc(-c2ccc(C)c(C)c2)no1 89263126 PEIPXQUKBCMNLX-UHFFFAOYSA-N 300.387 3.622 0 40 DHAB COC[C@H](C)C(=O)Nc1ccc(Br)cc1C(C)C 89876647 XLDYZXLNKKUYQZ-JTQLQIEISA-N 314.223 3.794 0 40 DHAB Cc1nc(S[C@@H](C)C(F)(F)F)n(C[C@@H]2CCCO2)c1C 95427277 ORAPJXHLFRJGJT-QWRGUYRKSA-N 308.369 3.722 0 40 DHAB CC[C@@](C)(NC(=O)c1ccc(Cl)nc1)c1nc(C)cs1 96423338 RLZQDGCOXJIIHZ-CQSZACIVSA-N 309.822 3.555 0 40 DHAB CC[C@H](c1ccccc1)c1nnc(NCc2cscn2)o1 97045533 QRTQCQILUDSYGD-CYBMUJFWSA-N 300.387 3.680 0 40 DHAB Cc1nnc(CN[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)o1 97110970 WTUPZDTZCPOHTK-UWVGGRQHSA-N 313.323 3.679 0 40 DHAB NC(=O)c1cccc(NC(=O)c2sccc2-c2ccccc2)c1 97658254 FDDAHEIZZZHMHI-UHFFFAOYSA-N 322.389 3.766 0 40 DHAB C[C@H](N[C@H](C)C1CCCCC1)C(=O)N[C@H](C)c1ccccc1 108090039 JZUWJAHQMDUHSO-OAGGEKHMSA-N 302.462 3.811 0 40 DHAB CSc1cccc(N(C)C(=O)c2cnc3ccccc3n2)c1 171047803 ZQWVEDPBCGDPMB-UHFFFAOYSA-N 309.394 3.628 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1[C@@H](C)CCC[C@@H]1C 217791584 ZZCSTKNPMXZFKC-HOTGVXAUSA-N 319.445 3.930 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1 224606805 VKLTVFBOVKJDEK-IAGOWNOFSA-N 311.425 3.991 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 224975396 KFSURFVKJPVPPR-INIZCTEOSA-N 311.425 3.900 0 40 DHAB C[C@@H](NC(=O)c1ccc2c(c1)OCC1(CC1)CO2)c1ccccc1 225363569 FVRYQRSBKWSRRT-CQSZACIVSA-N 323.392 3.729 0 40 DHAB CCOc1ccccc1CCCNC(=O)Cc1ccccc1F 225446270 WMNBFHSVESPSGA-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB COC(=O)[C@H](C(C)C)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260619493 NCXCRHORZUETBD-DYVFJYSZSA-N 319.445 3.985 0 40 DHAB CC[C@@H]1CN(Cc2ccc(-c3cccc(F)c3C)o2)C[C@H]1O 535807589 UHXKNNFQGSNQFT-CXAGYDPISA-N 303.377 3.597 0 40 DHAB c1ccc([C@@H]2CCC[C@H]2Nc2nccc(-c3cnccn3)n2)cc1 565756089 JYMGUFIUBOFJBM-JKSUJKDBSA-N 317.396 3.682 0 40 DHAB CCOCC[C@@H]1CCOC12CCN(Cc1ccc(C)cc1)CC2 585104652 KFBFVOVCWWZQQO-LJQANCHMSA-N 317.473 3.793 0 40 DHAB CCOC(=O)CCc1c[nH]c2c(C)ccc(Br)c12 1857793162 WKHOPZPAXLJPTF-UHFFFAOYSA-N 310.191 3.735 0 40 DHAB CN(c1ccccn1)C1CCN(CCCc2ccccc2)CC1 1889138896 FDYGZMFIMNEJNH-UHFFFAOYSA-N 309.457 3.615 0 40 DHAB COC(=O)c1ccc(COc2ccc(Br)cc2)cc1 39329 NBAKTODZCDMEAV-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB Cc1sc2nc(SCc3ccccc3)n(C)c(=O)c2c1C 51922 WCFFURSZJHAZJV-UHFFFAOYSA-N 316.451 3.904 0 40 DHAB Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)no1 68223 NOLOORRSZYHHPE-UHFFFAOYSA-N 317.732 3.852 0 40 DHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1F 387918 ZBWWEFYQWHRYBV-UHFFFAOYSA-N 307.708 3.503 0 40 DHAB COc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1O 818134 KKMYSIQVPNDSRB-IBGZPJMESA-N 321.380 3.854 0 40 DHAB COc1ccc2c(c1)c1ncnc(N3C[C@@H](C)C[C@H](C)C3)c1n2C 2216741 WUWTVBLBTCIWLU-STQMWFEESA-N 324.428 3.612 0 40 DHAB CCCOC(=O)N1[C@@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 2257022 KPOVWBPVLIZDGP-JGVFFNPUSA-N 317.229 3.657 0 40 DHAB COc1ccc(N2C(=O)C(F)(F)[C@H]2c2ccc(F)cc2)cc1 3190151 AUNRFWUNFTVHHV-CQSZACIVSA-N 307.271 3.558 0 40 DHAB Cc1ccsc1C(=O)OCc1nnc(-c2cccs2)o1 3535730 RNWPGMALDIMWRB-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(Cl)cc1 4029241 YIYUGJLYGWSLLU-GOEBONIOSA-N 307.821 3.761 0 40 DHAB biogenic,in-vitro CCCCCC(=O)NC(=S)Nc1nc2ccc(C)cc2s1 4525874 JXFFWAOPPKPTGU-UHFFFAOYSA-N 321.471 3.998 0 40 DHAB CCC[C@H](CC(=O)NCc1cccc(Cl)c1)n1ccnc1 5267237 SZHSEZODDYOTKP-OAHLLOKOSA-N 305.809 3.584 0 40 DHAB C[C@H]1CC[C@@H]([C@](O)(C(=O)c2ccccc2)c2ccccc2)C(=O)C1 5339616 GXTBEGWKZYADOA-KLHJMIIUSA-N 322.404 3.762 0 40 DHAB O=C(CSc1nc2ccccc2nc1S)c1ccccc1 5687878 RGLDRFFCBIXMSM-UHFFFAOYSA-N 312.419 3.894 0 40 DHAB Nc1nc(SCc2cc(Cl)cc(Cl)c2Cl)n[nH]1 6132351 BVFLSZDEGXRAJP-UHFFFAOYSA-N 309.609 3.639 0 40 DHAB Cc1noc(C)c1COC(=O)c1c(-c2ccccc2)noc1C 6279860 UPDMPMYDWRMUNN-UHFFFAOYSA-N 312.325 3.612 0 40 DHAB CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)OC 6357814 WOGRKUFKVJMJFX-IUODEOHRSA-N 306.406 3.519 0 40 DHAB COc1ccccc1NC(=O)CCSCc1ccccc1 7685360 BNGIVDNNJZQQIZ-UHFFFAOYSA-N 301.411 3.957 0 40 DHAB COC(=O)[C@@H](C)Sc1nc2ccccc2n1-c1ccccc1 7706542 HXIBDYGMEIVYNB-GFCCVEGCSA-N 312.394 3.679 0 40 DHAB c1csc(-c2n[nH]c(Sc3ncnc4sccc34)n2)c1 9053981 UPWIEYGJOZDTQA-UHFFFAOYSA-N 317.424 3.689 0 40 DHAB Cc1ccnc(NC(=O)Cc2c(C)nc3ccccc3c2C)c1 9367707 XLQSOOLKUJHFPL-UHFFFAOYSA-N 305.381 3.736 0 40 DHAB Fc1ccc(F)c(-c2nnc3sc(-c4cccs4)nn23)c1 9530608 FZKUEHPVOQLEGO-UHFFFAOYSA-N 320.349 3.860 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1F 9725360 UKPHZHGOWKIUCD-SNVBAGLBSA-N 308.303 3.851 0 40 DHAB O=C(NC1CC1)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 12995047 QYYVIZBRRLVCSZ-INIZCTEOSA-N 300.789 3.772 0 40 DHAB Cc1ccc2cc(-c3noc(C4CCCCC4)n3)c(=O)[nH]c2c1 13119857 AZGOYQXRZVMMOA-UHFFFAOYSA-N 309.369 3.934 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C)sc2C)c1 14021535 JPPKETVNGBZQRO-UHFFFAOYSA-N 303.383 3.712 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccsc2)c1 14140380 HAUTWHGSACVSIY-HNNXBMFYSA-N 317.410 3.743 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)c(C)c1 15393493 DGXWRHLSBUCMSJ-AWEZNQCLSA-N 301.361 3.526 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1c(F)cccc1Cl 15967009 PHJQZNGZKBVCKI-JTQLQIEISA-N 307.752 3.979 0 40 DHAB COc1ccccc1NC(=O)N1CCc2sccc2[C@@H]1C 17743182 FCGLYNICVXEQNT-NSHDSACASA-N 302.399 3.908 0 40 DHAB Cc1nnc(NC(=O)CSc2ccc3ccccc3c2)s1 18228388 JZFLDABTPOHZOM-UHFFFAOYSA-N 315.423 3.731 0 40 DHAB CCc1ccc(-c2nc(NC(=O)[C@@H]3CCCO3)sc2C)cc1 20212583 NEPUOCJSPRZZCZ-AWEZNQCLSA-N 316.426 3.798 0 40 DHAB COc1ccc(C(=O)Nc2ccc(F)cc2Br)cc1 20430085 XNXQPFWOPGOCBA-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB Cc1cc(C)n(CCCNC(=O)C2CCC(C(C)(C)C)CC2)n1 22412593 WPRGEXUXVPDDFY-UHFFFAOYSA-N 319.493 3.859 0 40 DHAB O=C(CCCc1cccs1)Nc1cccc(-c2nnco2)c1 24697333 IQDDQEIMVCQJMY-UHFFFAOYSA-N 313.382 3.760 0 40 DHAB Cc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1 27789158 PZDWONXNIYYYTG-UHFFFAOYSA-N 305.425 3.989 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 32089683 NQCDKHRYRIHQTO-UHFFFAOYSA-N 311.341 3.580 0 40 DHAB COc1cc(C)c(Nc2ncnc3ccsc23)cc1OC 32853423 ZKIBXROCIXZTIC-UHFFFAOYSA-N 301.371 3.761 0 40 DHAB COc1ccc(NC(=O)CC(C)C)cc1OCc1ccncc1 32922912 YGUUYTLBYURPMG-UHFFFAOYSA-N 314.385 3.654 0 40 DHAB Cc1ccc(C(=O)NCc2csc(Br)c2)s1 40090935 NXMZNJIUWAZRSW-UHFFFAOYSA-N 316.245 3.811 0 40 DHAB COc1ccc(OC)c([C@H](O)c2ccccc2Br)c1 40244806 OKWRMOAWYHFPMG-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(N)c(Cl)c(Cl)c1 40295146 UIMKVYLWJAVFAE-DTORHVGOSA-N 301.217 3.979 0 40 DHAB CC(=O)c1cccc(OS(=O)(=O)c2ccc(Cl)c(C)c2)c1 41097106 YERYXZQWPZNLSJ-UHFFFAOYSA-N 324.785 3.619 0 40 DHAB CCOC(=O)c1cn(-c2ccc(CC)cc2)c(=O)c2ccccc12 44167245 ODONDTCRDHRDPN-UHFFFAOYSA-N 321.376 3.730 0 40 DHAB CS[C@H](C)C(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 48226857 HIKANEAPRBBLDM-UONOGXRCSA-N 306.475 3.609 0 40 DHAB COc1ccc(CNCc2ccc(C)cc2C)c(OC)c1OC 48367078 GVRATPYMVJWULL-UHFFFAOYSA-N 315.413 3.619 0 40 DHAB Oc1nc(CN2CCC[C@H]2C2CCCC2)nc2ccsc12 55927934 HHSBSFNPEKTCLI-ZDUSSCGKSA-N 303.431 3.552 0 40 DHAB Cc1nc(-c2cccc(NC(=O)N3CCSCC3)c2)oc1C 56738974 MQQCNVPUVXHFDR-UHFFFAOYSA-N 317.414 3.539 0 40 DHAB Cc1cc(C)cc(N(C)CC(=O)Nc2cc(C(C)(C)C)no2)c1 58393563 WDGXWMRXSXXAOQ-UHFFFAOYSA-N 315.417 3.664 0 40 DHAB Cn1ccs/c1=N\C(=O)c1c[nH]cc1-c1ccc(Cl)s1 60581144 OPRYAWPYUZBYHT-SSZFMOIBSA-N 323.830 3.538 0 40 DHAB Fc1ccc(NCc2nc(C3CC3)no2)cc1C(F)(F)F 65207981 DFRHNFTWRQBCMO-UHFFFAOYSA-N 301.243 3.717 0 40 DHAB CC1(C)CC[C@H](N[C@@H](C(N)=O)c2ccccc2)c2ccccc21 69097124 OKLBIPYPDOARPN-ZWKOTPCHSA-N 308.425 3.615 0 40 DHAB Cc1cnn([C@@H]2CCCN(C(=O)c3sccc3C3CC3)C2)c1 69415576 QTRSXVXFEXXHHI-CQSZACIVSA-N 315.442 3.608 0 40 DHAB Cc1noc(CNc2ccccc2OCCc2ccccc2)n1 69599237 ICJBTSBCNLHJKH-UHFFFAOYSA-N 309.369 3.612 0 40 DHAB O=C(NCCCn1ncc2c(Cl)cccc21)C1CCCCC1 71196096 DYZFHCYUEIPZGC-UHFFFAOYSA-N 319.836 3.776 0 40 DHAB Cc1noc([C@@H](C)[S@@](=O)Cc2ccc(C(C)(C)C)cc2)n1 71888575 HMEAGBAMGLPNEV-WSVYEEACSA-N 306.431 3.685 0 40 DHAB C[C@@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccccc1 72311607 BGXRPPIXKROVQC-ZDUSSCGKSA-N 318.367 3.514 0 40 DHAB Cc1ccnc([C@@]2(C)CCCN2Cc2ccc3cc[nH]c3c2)n1 72388528 YLVCMDUYPFMMHV-LJQANCHMSA-N 306.413 3.778 0 40 DHAB CN(Cc1ccncc1)Cc1c(-c2ccco2)[nH]c2ncccc12 72397101 XPJATPVRIJFDDG-UHFFFAOYSA-N 318.380 3.850 0 40 DHAB O=C(NCC[C@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1 81253595 PYZRAFDAJNNDDD-HNNXBMFYSA-N 323.314 3.559 0 40 DHAB COc1ccc(CNc2c(C)nn(C(C)C)c2C)cc1OC 84008421 XLJLARMVYFFGMH-UHFFFAOYSA-N 303.406 3.710 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCC[C@H](O)c2ccccc2)cc1 85436434 AJLZCMWWJOLKSN-SFHVURJKSA-N 311.425 3.838 0 40 DHAB Fc1cc(Br)cc(NCc2nnsc2Cl)c1 89117482 HLASRJMSAKMJOA-UHFFFAOYSA-N 322.590 3.705 0 40 DHAB Cc1nccn1CCSc1nc2cc(Cl)ccc2n1C 89735735 QKGZOMXJKZFPBE-UHFFFAOYSA-N 306.822 3.524 0 40 DHAB COCCCN(C)CCSc1ccnc2cc(Cl)ccc12 95454772 YOUFRDQSGGHIAE-UHFFFAOYSA-N 324.877 3.949 0 40 DHAB CC(C)c1n[nH]c(NC(=O)c2cccc3c2ccn3C(C)C)n1 95477006 VQWHODRCTXSIJS-UHFFFAOYSA-N 311.389 3.716 0 40 DHAB CCCNC(=O)c1cc(-c2ccn(C(C)C)n2)n2ccccc12 96154709 WCEFDPGDVOJRFN-UHFFFAOYSA-N 310.401 3.524 0 40 DHAB O=C(Nc1ccc(CCO)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 96403190 RCYZBRQNLWOWSR-CHWSQXEVSA-N 315.335 3.529 0 40 DHAB CCc1nc(C[S@](=O)Cc2ccccc2OC(C)C)cs1 96404329 AMZXCCODBDKLLQ-NRFANRHFSA-N 323.483 3.942 0 40 DHAB Cc1cc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)on1 96407406 IPDXWKYRILTJLJ-CYBMUJFWSA-N 322.817 3.567 0 40 DHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2csc(C)n2)o1 96433139 BCOMUKSEIAOLLM-XHDPSFHLSA-N 318.442 3.895 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccc(-c3nnc(C)o3)cc2)c(C)n1 97014479 ZVFIXIARDBDJEF-UHFFFAOYSA-N 322.368 3.618 0 40 DHAB C[C@H](C[C@H](O)c1ccco1)N[C@@H]1CCCNc2ccccc21 192967714 UTOWXQLRNWTZFN-XYPHTWIQSA-N 300.402 3.628 0 40 DHAB Cc1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)c(Cl)c1 216955378 NFFLUNWFUYWPBQ-UHFFFAOYSA-N 313.740 3.990 0 40 DHAB Cc1c(Cl)cnc(NC(=S)NC(C)C)c1Br 223873810 MOFBGLJXWMBBOQ-UHFFFAOYSA-N 322.659 3.501 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224162545 KZEZLWLYVYAXCJ-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCC1CCCCC1 224465467 XGIJUNHNXSJBAF-QGZVFWFLSA-N 305.418 3.549 0 40 DHAB COc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1C(C)C 224635935 CTJZCCQWSNFSSJ-UHFFFAOYSA-N 323.458 3.597 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](Cc2ccc(F)cc2)C(=O)O)c1 225054585 IQRRARPLWONFIY-QGZVFWFLSA-N 302.345 3.826 0 40 DHAB CCn1c(SC(=O)c2ccc(OC)cc2)nc2ccccc21 408691967 ACBSBEKFRJXGLV-UHFFFAOYSA-N 312.394 3.997 0 40 DHAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cnc(O)c2ccccc12 527292630 DAQDBWOEPMPFFQ-KPZWWZAWSA-N 318.376 3.604 0 40 DHAB Cc1cc([C@@H]2CCCN2Cc2cc(C(=O)O)ccc2Cl)on1 566357621 FXTWXMFUJUCPRE-AWEZNQCLSA-N 320.776 3.672 0 40 DHAB CC(C)(C)c1nc2cc(NC(=O)N3CC[C@H]3C(F)F)ccc2o1 585086473 JTDDVFSRXJZQEM-NSHDSACASA-N 323.343 3.997 0 40 DHAB C=CC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 585142133 PMHYCULMQRBHHB-CQSZACIVSA-N 301.777 3.580 0 40 DHAB Nc1c(-c2ccc(Cl)cc2Cl)nnn1-c1ccccc1 1889049275 NMPILMTZMYJXRM-UHFFFAOYSA-N 305.168 3.823 0 40 DHAB CCCc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 148475 UPRGTOAFEUQWSP-UHFFFAOYSA-N 319.430 3.632 0 40 DHAB Cc1cccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c1 190454 MLLVHVJMZPTGNK-UHFFFAOYSA-N 302.333 3.531 0 40 DHAB CC[C@@H](C)NC(=O)c1cc(-c2cccnc2)nc2ccccc12 261129 SUOGZNAGMQJJKZ-CYBMUJFWSA-N 305.381 3.825 0 40 DHAB COc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c1 351477 BQCDUDAVIZODAR-UHFFFAOYSA-N 318.332 3.654 0 40 DHAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1cccs1 415460 KWFWCXRYONAVKU-UHFFFAOYSA-N 320.370 3.912 0 40 DHAB CC(C)N1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C 494666 ZOUWSRNDQYYJLB-MRXNPFEDSA-N 310.825 3.868 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)no2)cc1 815116 KNDRDFFUMNHLRJ-UHFFFAOYSA-N 310.357 3.680 0 40 DHAB C[C@H](C(=O)NC(C)(C)C)n1c(C(F)(F)F)nc2ccccc21 1399295 HSMPVDWSFNSZGA-SECBINFHSA-N 313.323 3.531 0 40 DHAB COc1ccc2c(c1)CCC1=C2C[C@@H]2C(=O)[C@@]1(C)CC[C@]2(C)O 1702651 CZAMTIBNIPMBOZ-HOJAQTOUSA-N 312.409 3.535 0 40 DHAB O=C(OCCCN1CCCC1)C1(c2ccccc2)CCCC1 2397486 QUHQDIBTGMUZLX-UHFFFAOYSA-N 301.430 3.528 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1csc2c1CCCC2 3420015 QBTNFPUBQLNMOT-UHFFFAOYSA-N 301.367 3.608 0 40 DHAB Cc1cccc(C(=O)OCC(=O)NC2CCCCCCC2)c1C 3452173 RGBUTWCOTSBTDK-UHFFFAOYSA-N 317.429 3.689 0 40 DHAB CSc1cccc(NC(=O)COC(=O)c2ccc(C)cc2)c1 3567350 CXZCIFLOIYKJPP-UHFFFAOYSA-N 315.394 3.512 0 40 DHAB O=C(O)[C@@H]1CCCCN1Cc1cccc(Oc2ccccc2)c1 3754720 IOZBPNFDNIPHEU-SFHVURJKSA-N 311.381 3.918 0 40 DHAB C[C@@H](COC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)N1CCCC1 4411193 XMEWHLNQVHUJQI-CADBVGFASA-N 317.473 3.953 0 40 DHAB Cc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)o1 4543380 LACGJSHPVBNHBT-CLAHSXSESA-N 302.399 3.628 0 40 DHAB CCOc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1OC 4723297 BLSUXCODRWGOPA-UHFFFAOYSA-N 321.760 3.705 0 40 DHAB Cc1nc2ccccc2c(=O)n1CCc1c[nH]c2ccc(F)cc12 5275052 RZYHZSVAXVAWEZ-UHFFFAOYSA-N 321.355 3.568 0 40 DHAB Cc1cccc(Oc2ccc(NC(=O)C3=COCCO3)cc2)c1 5632370 FZXWFMRZRAKFBS-UHFFFAOYSA-N 311.337 3.614 0 40 DHAB COc1cc(C)c(NC(=O)c2ccc3ccccc3n2)cc1OC 6259110 UGAKKEQGRLABMK-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB COc1cccc(NC(=O)c2sc(-n3cccc3)nc2C)c1 6806362 UROKHJAVXIFQAV-UHFFFAOYSA-N 313.382 3.503 0 40 DHAB C[C@H](NC(=O)CN1CCC[C@@H](C)C1)c1cccc2ccccc12 7340726 PMKGCAPOHFZFLU-CVEARBPZSA-N 310.441 3.749 0 40 DHAB COc1ccc(Cl)cc1C(=O)OCCOc1ccccc1F 8040212 PTCQPVWCDMQUMQ-UHFFFAOYSA-N 324.735 3.724 0 40 DHAB Cn1ccnc1Sc1ccc(NC(=O)c2cccs2)cc1 8753304 DCVRGOVMGJGODE-UHFFFAOYSA-N 315.423 3.885 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)n2cnc3ccccc32)c1C 9061827 GJTRTRUDXSKAFC-UHFFFAOYSA-N 314.410 3.507 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1cc(F)ccc1F 9071023 VFMIBGJCVBVFLV-UHFFFAOYSA-N 323.343 3.612 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)s1 10132774 FKEPMHAQNBZZFP-VIFPVBQESA-N 322.817 3.851 0 40 DHAB COc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 10893712 SCRBHEJKEWGHRW-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB COc1cccc(C(N)=O)c1OCc1cccc2ccccc12 12876542 SFCUBAXCMDBKRF-UHFFFAOYSA-N 307.349 3.526 0 40 DHAB COc1ccc2cc(CN3C[C@H](C)O[C@H](C)C3)c(Cl)nc2c1 12978589 YPVROUROFZGRLL-TXEJJXNPSA-N 320.820 3.506 0 40 DHAB COC(=O)c1ccc(C)c(NC(=S)Nc2ccc(F)cc2)c1 13793261 OAROSVBFWQTEGF-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2o1 14140470 UZXNCRXUCPHCIJ-TXEJJXNPSA-N 304.415 3.709 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccccc1OC 15966589 OIODHXXMQHNZQJ-YOEHRIQHSA-N 313.397 3.730 0 40 DHAB Cc1cccc2c3c([nH]c12)CCN(C[C@H](O)c1cccs1)C3 19236587 OYRKXBJTODMRPL-INIZCTEOSA-N 312.438 3.630 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N)c1 20193831 MMBACKBKUWMLAN-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB O=C(Cc1cccs1)Nc1ccc(F)cc1Br 20430215 DXRFUQJFMMMFBD-UHFFFAOYSA-N 314.179 3.831 0 40 DHAB Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1 20604800 ADPGDSXGYVHQJU-UHFFFAOYSA-N 312.442 3.992 0 40 DHAB CC1(C)CCc2cc(NS(=O)(=O)c3ccccc3)ccc2O1 24613992 IRXNMXDYVXJNRD-UHFFFAOYSA-N 317.410 3.591 0 40 DHAB COC(=O)c1cc(CN(C)[C@H]2CCCc3ccccc32)oc1C 26228336 HZFHVCJHBLWRFK-SFHVURJKSA-N 313.397 3.884 0 40 DHAB CCOCCn1c(Cc2ccc(OC)cc2)nc2ccccc21 28228147 VMHMFGZSFHJKGF-UHFFFAOYSA-N 310.397 3.672 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1ccc2ccccc2n1 32872009 JXEBKORKRFFDHX-UHFFFAOYSA-N 302.377 3.696 0 40 DHAB O=C1C[C@@H](C(=O)Nc2nc(-c3ccco3)cs2)c2ccccc21 38671307 ZRAYMIPMRQGFOX-GFCCVEGCSA-N 324.361 3.712 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1F 38752869 BOPBOCXGAJKICB-MRXNPFEDSA-N 303.333 3.630 0 40 DHAB COCCN(Cc1ccccc1)C(=O)c1ccc2ccccc2n1 40160481 LGCBZAPJCRMGCK-UHFFFAOYSA-N 320.392 3.524 0 40 DHAB Cc1nnc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)s1 43407376 MKYSZDPOIMEHMQ-GFCCVEGCSA-N 322.821 3.773 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)NC2CCCCCCC2)c1 44840656 FSJVRZZAXZEBRE-AWEZNQCLSA-N 305.418 3.692 0 40 DHAB Cc1cc(N2CCCC2)ccc1NC(=O)OCC(F)(F)F 48312866 PPCLAIDHWHDWLU-UHFFFAOYSA-N 302.296 3.706 0 40 DHAB Cc1ccc(C)n1C1CCN(C(=O)c2ccc[nH]c2=S)CC1 65492992 IOYDLPMXLUPBPE-UHFFFAOYSA-N 315.442 3.640 0 40 DHAB C[C@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@H](C)O1 72243327 WMFFGSSIZIUJOL-KBPBESRZSA-N 313.372 3.742 0 40 DHAB Cc1cc(Br)ncc1NC(=O)C[C@@H](C)n1cccc1 72306570 GDTXVHVUHMJORS-LLVKDONJSA-N 322.206 3.544 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(OC(C)C)cc1 72340965 OIUYRKDEEHHPFT-UZLBHIALSA-N 323.440 3.834 0 40 DHAB CC(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72361759 HHHSKLKCTGEUQJ-OAHLLOKOSA-N 317.776 3.606 0 40 DHAB Cc1ncc(Cl)c(C(=O)N2C[C@@H](C)Sc3ccccc32)n1 84290508 KLOGGQXLDSLBJF-SECBINFHSA-N 319.817 3.579 0 40 DHAB CC(C)CO[C@@H](C)c1noc(CNc2ccc(F)c(F)c2)n1 95412855 ZXTPNASPDXVVDC-JTQLQIEISA-N 311.332 3.694 0 40 DHAB CCCNC(=O)CCCC(=O)N1CCC[C@H](C)c2ccccc21 95939122 SJKWPUQIZADFHP-HNNXBMFYSA-N 316.445 3.613 0 40 DHAB Cc1ccc(CN2CCC3(CCCN3CC3CC3)CC2)s1 96049298 GOLSMGIQDGHKTG-UHFFFAOYSA-N 304.503 3.897 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NCCc2ncc(C)s2)c1 96434549 IUMYQTXGOVJUMU-GFCCVEGCSA-N 319.430 3.523 0 40 DHAB CC(C)C(=O)Nc1cccc(N[C@@H](C)c2cncc(F)c2)c1 96494564 BDPKNBJAIFLYGT-LBPRGKRZSA-N 301.365 3.988 0 40 DHAB C[C@](Cl)(C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96518308 QYBYTKNVYHBVEQ-MRXNPFEDSA-N 322.813 3.536 0 40 DHAB COc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1 222623639 MTGSTTHHVPSHDM-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 224610207 UWNFPJPXJUZFMG-DLBZAZTESA-N 311.425 3.991 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1 225002704 BJOAXORUZNRINQ-GFCCVEGCSA-N 321.779 3.985 0 40 DHAB COc1ccccc1NC(=O)NCCCc1ccc(F)cc1 225768781 PHXOAYXPFHTRDT-UHFFFAOYSA-N 302.349 3.589 0 40 DHAB COc1ccc(NC(=S)NC2(C(C)C)CCCC2)cc1OC 225850027 OCKJVFMQKOBMRV-UHFFFAOYSA-N 322.474 3.959 0 40 DHAB CCCCC[C@](C)(OC)C(=O)Nc1cnc(OCC)c(C)c1 225887033 NPXJXKWOKZTYMH-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1 226275469 KFFHPAGIQUAJCB-UHFFFAOYSA-N 320.742 3.855 0 40 DHAB CCn1nccc1-c1cccc(CC2CCN(C(C)C)CC2)n1 257223025 DVOIZJPBIDUNFE-UHFFFAOYSA-N 312.461 3.628 0 40 DHAB c1ccc2nc(CN3CCC[C@@H](Cc4nccs4)C3)cnc2c1 257255609 KIECIBMXEBLRSQ-AWEZNQCLSA-N 324.453 3.541 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@H]3c3cnccn3)ccc2o1 257323512 WKNZTGMMPINONX-INIZCTEOSA-N 307.353 3.509 0 40 DHAB Cc1cnc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)s1 257331617 XTOSKTBHXYRZRM-MRXNPFEDSA-N 314.454 3.790 0 40 DHAB CC[C@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O 409011291 FYJVSICACYBMPX-YWEFTTLKSA-N 321.398 3.539 0 40 DHAB NCC1(c2cccc(-c3ccc(OC4CC4)cc3)c2)CCOCC1 530248181 HWAKYRYDTCKIKE-UHFFFAOYSA-N 323.436 3.902 0 40 DHAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(F)cc1 1565524665 REVGXUIRSHOVMU-UHFFFAOYSA-N 315.373 3.888 0 40 DHAB CCOC(=O)CCc1c[nH]c2c(F)ccc(Br)c12 1857793138 UESMVFWYAXFCOK-UHFFFAOYSA-N 314.154 3.565 0 40 DHAB OC(COc1ccccc1Cl)COc1ccccc1Cl 1561572 XELWKDNRDKLWSI-UHFFFAOYSA-N 313.180 3.812 0 40 DHAB biogenic CC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 2621177 AODCZOBNODCBTK-UHFFFAOYSA-N 305.736 3.863 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(F)cc2Cl)c1C 3442596 BELLEZWZDDPWSF-UHFFFAOYSA-N 323.751 3.984 0 40 DHAB CCCCOCCCNC(=O)c1ccc(-c2ccccc2)o1 4673498 RDJIFUOOKQAFHK-UHFFFAOYSA-N 301.386 3.883 0 40 DHAB O=C1CCCc2nc(N3CCCCC3)nc(Nc3ccccc3)c21 4736726 DZDTWOAKADGFQB-UHFFFAOYSA-N 322.412 3.730 0 40 DHAB Cc1ccc(-c2cc(NC(=O)COc3ccccc3C)on2)cc1 5482795 OXKJTQCBLWASBU-UHFFFAOYSA-N 322.364 3.976 0 40 DHAB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccco3)S2)cc1 5652406 MVLDDFDXIPLVPG-UVTDQMKNSA-N 314.366 3.570 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Cl)cc1 6316519 QSYZWLBQQDLYRO-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB CN(C)C(=S)SCC(=O)c1ccc(Cl)cc1Cl 6637562 BQXMKPFQRXCGFJ-UHFFFAOYSA-N 308.255 3.756 0 40 DHAB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 6960346 IYWKVPIDJRFTLN-RLFYNMQTSA-N 306.365 3.915 0 40 DHAB COc1ccc(C)cc1COc1ccc(N2CCCC2=O)cc1 7025778 COADSQQCGDCJGX-UHFFFAOYSA-N 311.381 3.709 0 40 DHAB O=C(Cc1cccc(F)c1)OCc1cc(-c2ccccc2)on1 7544240 OIBPFYLXOMDNPS-UHFFFAOYSA-N 311.312 3.767 0 40 DHAB Cc1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1C 7914971 LWAKZHLEVTWGNV-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 7928052 BORLGKQBPMABRH-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CSc1nc(C)c(CCC(=O)Nc2ccccc2C)c(C)n1 8060297 XRTKVNMBUQOWBH-UHFFFAOYSA-N 315.442 3.695 0 40 DHAB CCCc1nnc2sc(Cc3ccc4c(c3)CCCC4)nn12 8392247 QWJFODAQDCNOHF-UHFFFAOYSA-N 312.442 3.608 0 40 DHAB CC(=O)c1cccc(OCCN2CCCC[C@@H]2c2cccnc2)c1 8741369 MXMZVZNVJILHAB-HXUWFJFHSA-N 324.424 3.890 0 40 DHAB biogenic CCSc1nc2nc(-c3ccc4ccccc4c3)cc(O)n2n1 8769087 NLDDQQGEOKCQAN-UHFFFAOYSA-N 322.393 3.762 0 40 DHAB Cc1cccc(CS[C@H](C)C(=O)NCCc2ccccc2)c1 9449911 JQICAQGAGXAFFE-MRXNPFEDSA-N 313.466 3.976 0 40 DHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)on1 9496880 HMFSXKJVANMNFY-MRXNPFEDSA-N 310.353 3.932 0 40 DHAB Cc1ccnc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1 11700765 VNUFMBHXIBYSJY-UHFFFAOYSA-N 314.344 3.854 0 40 DHAB Cc1c(C)n(C[C@H](O)CN2CCCCCC2)c2ccc(F)cc12 12422003 ZJSGOLHUUGGVCI-QGZVFWFLSA-N 318.436 3.634 0 40 DHAB COC(=O)c1ccc(Cn2c(SC)nc3ccccc32)cc1 12532581 PWKOIKGLIFRTEH-UHFFFAOYSA-N 312.394 3.593 0 40 DHAB CC[C@@H](C)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 12629251 LPRSUVFPXXTLMV-LLVKDONJSA-N 309.479 3.622 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)cc1 12914567 FBRBZOGIOVPHEL-OAHLLOKOSA-N 319.451 3.510 0 40 DHAB COc1ccc([C@@H](C)NC(=S)Nc2ccccc2F)cc1 13932636 GPYQGMHTMKSLRR-LLVKDONJSA-N 304.390 3.882 0 40 DHAB CC(C)c1n[nH]c(S[C@H](C)C(=O)c2cccc(Cl)c2)n1 14094210 ZLXMTKAAKYBFOQ-SECBINFHSA-N 309.822 3.945 0 40 DHAB COc1ccc(-c2nnc3sc(/C=C/c4ccco4)nn23)cc1 15082187 VLTMBHIYUMNRDJ-CMDGGOBGSA-N 324.365 3.625 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)CCC2 15326704 ULHWAPUYPCGBQP-MRXNPFEDSA-N 323.436 3.692 0 40 DHAB Oc1nc(NC2CCCCC2)nnc1Cc1ccccc1Cl 18212810 LVSANKNLWBMNSA-UHFFFAOYSA-N 318.808 3.566 0 40 DHAB Cc1sc2ncnc(SCC(=O)O)c2c1-c1ccccc1 19955820 SARSKPZNRWYVRR-UHFFFAOYSA-N 316.407 3.843 0 40 DHAB CCc1ccc(C(=O)[C@@H](C)Sc2nc(C3CC3)n[nH]2)cc1 22239663 QHLWKUAGYIORLP-SNVBAGLBSA-N 301.415 3.608 0 40 DHAB Cc1cc(NC(=O)N(Cc2ccco2)Cc2cccs2)no1 24535754 JINGYADQEPVPNY-UHFFFAOYSA-N 317.370 3.872 0 40 DHAB C[C@@H]1CCCC[C@H]1NC1=NN=C(c2ccc(F)cc2)CS1 24841558 MSAYIKIXUIWWJA-BXUZGUMPSA-N 305.422 3.801 0 40 DHAB CCCC[C@@](O)(CCN1CCCCC1)c1ccc(OC)cc1 27346629 BQKCVFVIYPWROE-LJQANCHMSA-N 305.462 3.949 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C)cn1 27975752 JOIMKZGCEMSVFZ-QGZVFWFLSA-N 310.397 3.675 0 40 DHAB COc1cccc(C(=O)N[C@H](C)c2ccc(SC)cc2)c1 31694558 IYJLIWOQQMCXLC-GFCCVEGCSA-N 301.411 3.908 0 40 DHAB O=C(Cn1ccc2c(Cl)cccc21)Nc1ccc(O)cc1 32087814 KMQJDWLZQHLQEJ-UHFFFAOYSA-N 300.745 3.639 0 40 DHAB C[C@@H](CCOCc1ccccc1)CN1C(=O)c2ccccc2C1=O 36040004 KANPWWMRBFPDHL-HNNXBMFYSA-N 323.392 3.526 0 40 DHAB Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)c(C)c1 40293531 BOADVULWSHAXBQ-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB COc1cccc([C@@H]2CCCN2Cc2nc(C(C)C)no2)c1 42574553 BYRLFGLDSRFHJD-HNNXBMFYSA-N 301.390 3.539 0 40 DHAB CN(C(=O)CN1CCC[C@@H]1c1cccs1)c1ccccc1 48301111 GBTLHNXNADIYKG-OAHLLOKOSA-N 300.427 3.548 0 40 DHAB Cc1ccc(-c2nnc(CN3CCC[C@H]3c3ccc[nH]3)o2)cc1 48355847 RADAGCLNQCVRFV-INIZCTEOSA-N 308.385 3.710 0 40 DHAB Cc1ccc(-c2nc(CCNC(=O)C3CCC3)cs2)cc1 58343377 MDYXTGIHRQKWLO-UHFFFAOYSA-N 300.427 3.577 0 40 DHAB Cc1ccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 59737981 GXLLXQDTVQRSIJ-UHFFFAOYSA-N 317.816 3.960 0 40 DHAB Cc1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c(O)c1 65536135 KZFLFPFWXZUIDT-UHFFFAOYSA-N 317.295 3.767 0 40 DHAB O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1cc[nH]c1 68348924 KFKWXQWVZHMTLW-UHFFFAOYSA-N 317.392 3.830 0 40 DHAB Cc1ccccc1-n1nc(C(=O)N2CCC[C@@H](C)C2)c2c1CCC2 68492298 HEQYMYSXVBGKFT-CQSZACIVSA-N 323.440 3.542 0 40 DHAB C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)Nc1ncccn1 69698377 MGWUAZSJQBZICI-SWLSCSKDSA-N 313.426 3.614 0 40 DHAB Cc1cc(C(=O)NC2CCCC2)c2cnn(C3CCCC3)c2n1 71279793 QTLOSNQLSXJRCC-UHFFFAOYSA-N 312.417 3.527 0 40 DHAB CC1(C)CCC[C@@H]1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 75105492 RNFHVDPZEWFFKE-AWEZNQCLSA-N 323.820 3.810 0 40 DHAB Cc1cc([C@@H](C)NC(=O)NC[C@@H](O)c2ccsc2)c(C)s1 89582385 ALZLOJOWSVQJGQ-QMTHXVAHSA-N 324.471 3.520 0 40 DHAB Cc1oc(-c2ccccc2)nc1Cn1c(=O)oc2ccccc21 95348722 QEGFTZPAUQYPRE-UHFFFAOYSA-N 306.321 3.606 0 40 DHAB Cc1cc(C(=O)N[C@H]2CC[C@@H]2c2ccccc2)c2c(C)noc2n1 95403677 MQPBUZLAUYMENE-ZBFHGGJFSA-N 321.380 3.516 0 40 DHAB CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@H]1O 95466995 PSHGUWGZZOTJNZ-UONOGXRCSA-N 310.825 3.601 0 40 DHAB Cc1cc([C@H](C)NC(=O)Nc2cccc([S@](C)=O)c2)c(C)o1 96410687 FJYZABURJSZSTK-KPWVOAKYSA-N 320.414 3.517 0 40 DHAB Cc1cccc([C@H]2CCCN2c2noc(-c3ccccc3)n2)n1 158042158 SCBZHXOEBBZDAT-MRXNPFEDSA-N 306.369 3.782 0 40 DHAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 195464844 OFOBTUQSDUZIBP-AWEZNQCLSA-N 322.880 3.713 0 40 DHAB C[S@](=O)Cc1cc(NC2CCSCC2)ccc1Cl 195559160 CQURSAOXTBKSTK-SFHVURJKSA-N 303.880 3.526 0 40 DHAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 218971545 RGPRBLMZQVEJJG-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB CCc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 222342162 KMYQSMSZAJOVQP-NJDAHSKKSA-N 310.485 3.579 0 40 DHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1F 223668914 LFUNEOZAGINZHN-UHFFFAOYSA-N 315.388 3.932 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)Cc1ccccc1 223766651 KDJBPWHSIRSAOC-CQSZACIVSA-N 315.388 3.731 0 40 DHAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)OCc1ccccc1 225095772 OFEKSWLZMIEWKM-OAHLLOKOSA-N 324.298 3.918 0 40 DHAB COc1ccc(N2NC(CC(C)C)(CC(C)C)NC2=S)cc1 225349483 IBBCGIVQSNNTNY-UHFFFAOYSA-N 321.490 3.683 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)Cc1cccc(Cl)c1 225867256 AQEFLXQKDVGABB-KRWDZBQOSA-N 322.880 3.653 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c(C)n1 225883183 HYBAJYGXKNBVEO-GOSISDBHSA-N 322.449 3.959 0 40 DHAB Cc1ccc(S(=O)(=O)NC2CCC(F)(F)CC2)cc1Cl 534868829 YMFYDSIZIRRTMJ-UHFFFAOYSA-N 323.792 3.505 0 40 DHAB CC(C)c1nccn1CC1CN(c2nccc3ccccc23)C1 2087145833 ONSMGXHVZIXTIJ-UHFFFAOYSA-N 306.413 3.691 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1 122613 LSYGJIXVAKTIGL-UHFFFAOYSA-N 303.789 3.686 0 40 DHAB O=C(c1ccc(Cl)cc1)c1conc1C(=O)c1cccs1 129198 JJLFFUGIJBWNFQ-UHFFFAOYSA-N 317.753 3.852 0 40 DHAB CC[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 217202 LJXFGFOGKAXHSX-ZDUSSCGKSA-N 305.381 3.825 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4ccccc4Cl)C[C@H]1CC[C@]23C 407370 WIDATBMHYFSJTN-BEMMVCDISA-N 305.805 3.874 0 40 DHAB Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCC2 415528 AGAHDIGCNBCTPK-UHFFFAOYSA-N 322.227 3.813 0 40 DHAB Cc1nc(SCC(=O)NC(C)(C)C)c2c(C)c(C)sc2n1 1340334 BJULLCIKQSTKPR-UHFFFAOYSA-N 323.487 3.623 0 40 DHAB CCn1c(=S)[nH]c2scc(-c3ccc(F)cc3)c2c1=O 3319092 WUMCLARBBAVJIZ-UHFFFAOYSA-N 306.387 3.947 0 40 DHAB Cc1ccc(Nc2nc3nonc3nc2NC(C)(C)C)cc1C 3894100 MDNRZEQQWCOPCO-UHFFFAOYSA-N 312.377 3.584 0 40 DHAB Cc1cccc(CSC2=NCCN2C(=O)c2cccs2)c1 4120242 YISPFFVELYNZTL-UHFFFAOYSA-N 316.451 3.802 0 40 DHAB CSc1nsc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 4520566 FDJXGDQNYSNRNG-UHFFFAOYSA-N 323.487 3.805 0 40 DHAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(C)(C)C 5186715 CBVHWEZVVIIXMK-UHFFFAOYSA-N 314.429 3.764 0 40 DHAB Cc1nc(NC(=O)c2ccc(Br)cc2)sc1C 5378482 UFGGFGVPBVKBSO-UHFFFAOYSA-N 311.204 3.775 0 40 DHAB Cc1ccc(C)c(Cn2nc(-c3ccccc3C)ccc2=O)c1 5409812 QGAFAKJXWLSRAL-UHFFFAOYSA-N 304.393 3.884 0 40 DHAB COc1ccc(C2=CSC3=NC(C)(C)CC(C)=NN23)cc1 5416590 AZPFAEXYTRCYIR-UHFFFAOYSA-N 301.415 3.957 0 40 DHAB CCOC(=O)[C@H](c1ccsc1)P(=O)(OCC)OCC 5833343 YHJVOYLCNBGMIZ-NSHDSACASA-N 306.320 3.618 0 40 DHAB COC(=O)c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1 6638199 PZZJRDVODFDLCF-NYYWCZLTSA-N 316.740 3.745 0 40 DHAB C[C@@]12CCC(=O)O[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 8242441 QTBANSSXVTZHMD-UYVHBQBUSA-N 306.446 3.686 0 40 DHAB Cc1ccccc1CNC(=O)c1sc(-c2ccccn2)nc1C 8367370 WIPSKSMOXZFYBC-UHFFFAOYSA-N 323.421 3.752 0 40 DHAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(F)cc1F 8719011 BYGVUJFUWKGBOL-LLVKDONJSA-N 320.339 3.813 0 40 DHAB COc1cc(C(=O)O)ccc1OCCOc1ccc(Cl)cc1 11896622 LJOPWXBOCGLZLL-UHFFFAOYSA-N 322.744 3.505 0 40 DHAB CCCCOCCCNC(=O)c1oc2ccc(F)cc2c1C 12770147 SWHSUYSKHBSUQD-UHFFFAOYSA-N 307.365 3.817 0 40 DHAB Cc1ccc(O)c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 12805001 CXRYZVCEKNSDGY-UHFFFAOYSA-N 323.314 3.992 0 40 DHAB CC(C)(C)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12975546 AUHBVYVISDJEIC-UHFFFAOYSA-N 320.396 3.817 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](C)N2CCC(C)CC2)cc1Cl 13964722 RBDHCRKIHPBSHU-AWEZNQCLSA-N 323.868 3.890 0 40 DHAB Cc1ccc(-n2cnc(C(=O)Nc3cccc(C(C)C)c3)n2)cc1 19910566 LDMSTXLRPORQPP-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1nc(-c2cccnc2)cs1 22066314 NILOXLYODCSATN-OUCADQQQSA-N 313.426 3.970 0 40 DHAB C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccncc1 22621864 AWPSMADVXPCMQW-CQSZACIVSA-N 307.397 3.763 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H](c2nc3ccccc3o2)C1 27380112 KKUPGGATJAVMQL-JJXSEGSLSA-N 324.424 3.970 0 40 DHAB O=C(CCC1CCCC1)Nc1ccn(Cc2ccc(F)cc2)n1 27915843 ZUARTEZQAKSSMI-UHFFFAOYSA-N 315.392 3.979 0 40 DHAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccco1 28574293 RRVMYYDAZPIVHW-UHFFFAOYSA-N 319.723 3.569 0 40 DHAB O=C(Cc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32103505 FVFUHMGUPJCEJQ-UHFFFAOYSA-N 304.393 3.902 0 40 DHAB O=C(CN1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 35535127 NWUPTQPDCVHOAL-UHFFFAOYSA-N 317.335 3.529 0 40 DHAB CC(=O)N[C@H](C(=O)Oc1ccc(Cl)c2ccccc12)C(C)C 35870915 ZXKZKWLEPGVQJC-INIZCTEOSA-N 319.788 3.559 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cn1 36396792 DKMXJUMQNPAJBD-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB O=C(Nc1ccccc1Cl)c1csc(-n2cccc2)n1 38490403 STGIBEONAUHVIT-UHFFFAOYSA-N 303.774 3.840 0 40 DHAB CC(C)c1nnc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)s1 40144036 JWSPTPFXSNVAEM-IUCAKERBSA-N 321.368 3.969 0 40 DHAB C[C@@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@@H](C)O1 43552851 ASCSJVMFUOMHCF-NXEZZACHSA-N 316.373 3.642 0 40 DHAB CC(C)CC[C@H](C)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 43875126 LHBZWLPDUZKIKB-ZDUSSCGKSA-N 317.433 3.525 0 40 DHAB CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[C@@H]2C(=O)O)CC1 44135619 SWYPSOKKQZJXEP-KGLIPLIRSA-N 311.422 3.525 0 40 DHAB CCCc1noc([C@H](C)Sc2nc(-c3ccccc3)n[nH]2)n1 48325776 ZOVQXSIIVQLHCG-JTQLQIEISA-N 315.402 3.661 0 40 DHAB O=C(CCc1ccc(F)cc1)NCCCOC1CCCCC1 61547227 QFJMZFGMKACNTB-UHFFFAOYSA-N 307.409 3.614 0 40 DHAB Clc1ccc(CN2CCCN3CCC[C@@H]3C2)c2ncccc12 65622706 BUPHKALEWBLTTM-OAHLLOKOSA-N 315.848 3.558 0 40 DHAB O=C1CCCc2cc(Oc3nccc(C(F)(F)F)n3)ccc21 69452426 YGHONYVOEUTFQY-UHFFFAOYSA-N 308.259 3.807 0 40 DHAB C[C@H](CN[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 75572738 RAISYGIMJPZXCH-WIYYLYMNSA-N 308.469 3.697 0 40 DHAB C[C@H](c1cc(F)ccc1F)N(C)Cc1nc(C(C)(C)C)no1 76721224 QUOXGEOQWAGPFC-SNVBAGLBSA-N 309.360 3.838 0 40 DHAB COc1ccc(C(=O)Nc2ccc3nc(C4CC4)[nH]c3c2)cc1 79482165 SCQKSIMXEONANG-UHFFFAOYSA-N 307.353 3.701 0 40 DHAB O=c1[nH]c([C@H]2CSCCS2)nc2sc3ccccc3c12 79927922 ASINOZDPADENDB-SNVBAGLBSA-N 320.464 3.659 0 40 DHAB CN(C(=O)CCC(C)(C)c1ccccc1)c1ncccc1F 95436540 CRWWKXKMTKHRMB-UHFFFAOYSA-N 300.377 3.942 0 40 DHAB C[C@@H](NC(=O)c1csc(Cl)n1)c1ccc(F)c(F)c1 95945642 JEGPCJDZGGGPTI-ZCFIWIBFSA-N 302.733 3.566 0 40 DHAB Cc1cccc([C@@H](NCc2cc(=O)c(O)co2)C(C)(C)C)c1 95985705 FXKRVDRWQUQBPL-QGZVFWFLSA-N 301.386 3.531 0 40 DHAB Cn1ccnc1[C@H](NCC1(c2cccc(Cl)c2)CC1)C1CC1 95986452 CLQMWXQAYUMMHT-MRXNPFEDSA-N 315.848 3.846 0 40 DHAB CO[C@@H](CNC(=O)c1cccc(Cl)c1)c1cccc(F)c1 96388005 QFKWARWUTBQZQP-HNNXBMFYSA-N 307.752 3.597 0 40 DHAB CO[C@@](C)(CNC(=O)/C=C/c1ccoc1)c1cccc(Cl)c1 96392757 ZAFWJNMVZVOTNQ-LXXRFIIISA-N 319.788 3.624 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 101275565 CQOITYWCYKYJLO-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB Cc1cc(C)c(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)c(C)c1 101275570 GIIPNRHPTPSWRA-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB O=C(Nc1cnc(C2CC2)nc1)C1(c2cccc(Cl)c2)CC1 103018499 CZEWYHQWTYQAHX-UHFFFAOYSA-N 313.788 3.678 0 40 DHAB FC(F)(F)c1ccnc(N[C@H]2CCO[C@H](c3ccccc3)C2)n1 185505304 DWTXRYIDNOPGMX-STQMWFEESA-N 323.318 3.828 0 40 DHAB O=C(O)c1ccccc1NC(=S)Nc1cccc(Cl)c1 216930971 PMCFKCWWXOKYBI-UHFFFAOYSA-N 306.774 3.847 0 40 DHAB CC1CCN(C(=O)CSCc2ccc(Cl)cc2F)CC1 224380460 RBQZDYPOOZCIBJ-UHFFFAOYSA-N 315.841 3.971 0 40 DHAB CCCCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl 225378450 YSXVVPMXZSRGCL-UHFFFAOYSA-N 314.838 3.603 0 40 DHAB COc1cccc(NC(=S)NCCCc2cccc(C)c2)c1 225391101 FCJJCXYTJJCLHT-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(OC)c(C)c1 225638599 CEPGKZRUGOJDRY-QGZVFWFLSA-N 313.397 3.893 0 40 DHAB O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(F)c(F)c1 225654245 KIOHNTKUJOWREG-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB Cc1ccc(C)c(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)c1 225744081 YYXNBPOOXZKEPU-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB Cc1noc(C)c1-c1cccc(C(=O)N2Cc3ccccc3C2)n1 257299824 RRSSRXGSCCKTRI-UHFFFAOYSA-N 319.364 3.509 0 40 DHAB Cc1cc(C(=O)NCCc2ccc(-c3ccsc3)s2)no1 575414112 YORMMSIZVSGBNU-UHFFFAOYSA-N 318.423 3.746 0 40 DHAB CCN1CCC[C@@H](CNC2CC(c3cc(F)cc(F)c3)C2)C1 581455350 FSYAUFHJBSKBLC-UQHVZDHRSA-N 308.416 3.532 0 40 DHAB CC(C)CCC(=O)N1CCC(c2ccc3cccnc3n2)CC1 655265393 RXZAMOYFUFBYJK-UHFFFAOYSA-N 311.429 3.772 0 40 DHAB COc1ccc2nccc(C(=O)Nc3nc(C)c(C)s3)c2c1 1889191447 YOTBNGIHAHFFDQ-UHFFFAOYSA-N 313.382 3.569 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)CSc2ncccn2)cc1 42873 VMMQIFUXVIUDNG-GFCCVEGCSA-N 301.415 3.721 0 40 DHAB Oc1cccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)c1 553214 AQTWYKFHUTVPTE-UHFFFAOYSA-N 310.275 3.597 0 40 DHAB Brc1ccc(-c2noc(Cc3cccs3)n2)o1 1421830 VQFOTMFNLRDRGG-UHFFFAOYSA-N 311.160 3.744 0 40 DHAB S=C(c1cccs1)N1CCN(c2ccccc2Cl)CC1 1730956 OXAYIKMICGHJBB-UHFFFAOYSA-N 322.886 3.899 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCc1nc2ccccc2[nH]1 2886615 KRBIMNHTRXGOPD-MDZDMXLPSA-N 311.772 3.546 0 40 DHAB CCCc1nc2ccccc2c(=O)n1-c1ccc(C(C)=O)cc1 3149213 QGPIZMQJZBAQAQ-UHFFFAOYSA-N 306.365 3.541 0 40 DHAB O=C(OCc1ccc(Cl)cc1)c1cc(=O)c2ccccc2o1 3228322 TUBLEFXIROLNJG-UHFFFAOYSA-N 314.724 3.803 0 40 DHAB COc1ccc(-c2nc(NC(=O)C3CCC3)sc2C)cc1 3560627 DHXYLJVULWNBOE-UHFFFAOYSA-N 302.399 3.866 0 40 DHAB O=c1oc2ccccc2cc1-c1nnc(-c2cccc(F)c2)o1 4070108 XXHGFMGNDOUMEU-UHFFFAOYSA-N 308.268 3.649 0 40 DHAB O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1cccc(Cl)c1 4385028 KNAIOJRFSJJQER-NSHDSACASA-N 311.772 3.737 0 40 DHAB O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCC2 5958383 JSGRWMKLNQJRGX-UHFFFAOYSA-N 316.378 3.965 0 40 DHAB Cc1csc(SCc2nnc(-c3ccc(F)cc3)o2)n1 6941452 QWKBGEJMXXLRKN-UHFFFAOYSA-N 307.375 3.933 0 40 DHAB Cc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)s1 7442461 YMLAFFXBVRPWJX-UHFFFAOYSA-N 324.818 3.842 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(F)cc1 7775445 NFCYMVHQCINBSD-LBPRGKRZSA-N 309.344 3.707 0 40 DHAB O=C(COC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1 8288696 SDVPJCSJOMDNPK-UHFFFAOYSA-N 317.344 3.788 0 40 DHAB CC(=O)c1sc(NC(=O)c2ccc(OC(C)C)cc2)nc1C 8300336 UCGCQMPRFICSEH-UHFFFAOYSA-N 318.398 3.694 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)c1ccco1 8726611 BYVFRTRCWLBCRN-AWEZNQCLSA-N 308.381 3.865 0 40 DHAB CC(=O)c1sc(NC(=O)Cc2ccc(C(C)C)cc2)nc1C 10096126 HJIRIGOGRDMATN-UHFFFAOYSA-N 316.426 3.959 0 40 DHAB Cc1cccc(CNC(=O)c2ccccc2Br)c1 10447572 NFEAAWCQATXXFR-UHFFFAOYSA-N 304.187 3.688 0 40 DHAB O=C(Nc1nc2ccccc2s1)N1CCc2sccc2C1 10464026 LPNLGDAIMILLBF-UHFFFAOYSA-N 315.423 3.948 0 40 DHAB Cc1ccccc1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 10540790 JCNNXKCUFBWFRU-UHFFFAOYSA-N 319.408 3.979 0 40 DHAB Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2C(C)C)on1 12186864 HGTUHSIXDQIKRH-GFCCVEGCSA-N 300.406 3.800 0 40 DHAB COc1cc(C)c(NC(=O)C(C)(C)c2ccccc2)cc1OC 12758151 RNFURHKTBZBIPF-UHFFFAOYSA-N 313.397 3.929 0 40 DHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccco2)c1 14258463 QEOMNOZWTHSDSI-SOFGYWHQSA-N 318.760 3.933 0 40 DHAB COc1cc(C(=O)N[C@@H](C)C2CC2)cc(Cl)c1OC(C)C 18207407 YBXWOXKKCHBWRN-JTQLQIEISA-N 311.809 3.664 0 40 DHAB COc1ccc(OC)c([C@@H]2SCC(=O)N2C2CCCCC2)c1 19927457 ZXESXCCZXRFSFW-KRWDZBQOSA-N 321.442 3.611 0 40 DHAB COc1ccc(C(=O)Nc2cccc3ncccc23)c(OC)c1 20726497 FCDFZLTWEGBHAE-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB c1ccc(-n2cc(CNCc3nc4ccccc4s3)cn2)cc1 24082691 KNYBXOFJTDGMEH-UHFFFAOYSA-N 320.421 3.772 0 40 DHAB O=C(NCc1ccc(Br)s1)Nc1ccccc1 24744691 NBCNLZOQXNEPQY-UHFFFAOYSA-N 311.204 3.832 0 40 DHAB Nc1ncccc1C(=O)OCc1ccc(-c2ccccc2)cc1 24755438 ZLBLZQZDAZLXDY-UHFFFAOYSA-N 304.349 3.688 0 40 DHAB CCCn1ccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)n1 28239657 MZTSLTZTTSDNCX-OAHLLOKOSA-N 322.412 3.575 0 40 DHAB Cc1ccc(NC(=O)N2CCC(C(=O)C3CC3)CC2)c(C)c1 32912533 RLFDLCIBRDHFQA-UHFFFAOYSA-N 300.402 3.526 0 40 DHAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)s1 33024229 VMBUALFATHLUNO-CQSZACIVSA-N 318.442 3.607 0 40 DHAB O=C(c1cccnc1Cl)N(Cc1ccc(F)cc1)C1CC1 37977446 MMIOJUAUXCRWQV-UHFFFAOYSA-N 304.752 3.679 0 40 DHAB C[C@H](Nc1ccc(F)cc1)C(=O)N[C@H](C)CCc1ccccc1 40161224 FLXSKXIESSGQLQ-CABCVRRESA-N 314.404 3.764 0 40 DHAB CCCOc1ccc(CNC(=O)Nc2ccccc2OC)cc1 44845627 ZKAXBYPIVSSLMD-UHFFFAOYSA-N 314.385 3.806 0 40 DHAB c1ccc(-c2noc(CN3CCC[C@H]3c3ccsc3)n2)nc1 44975351 YNLUMEFBOWDDEM-AWEZNQCLSA-N 312.398 3.530 0 40 DHAB COc1ccccc1[C@H](C)N(C)C(=O)c1cc(Cl)cn1C 45250005 GYILHUPDKPJXRK-NSHDSACASA-N 306.793 3.520 0 40 DHAB Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 49060265 WDGIGRWIRVNYFI-OAHLLOKOSA-N 319.364 3.566 0 40 DHAB Cc1cccc(OCCCCC(=O)Nc2ccnn2C(C)C)c1 57429918 XQVUJTRHJUKTCU-UHFFFAOYSA-N 315.417 3.960 0 40 DHAB C[C@H](CC[C@@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1 58341157 ZXMYTRSBCJPMFG-CJNGLKHVSA-N 321.848 3.836 0 40 DHAB CSCC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 58412750 SEGQPKIPEMUBDM-UHFFFAOYSA-N 302.443 3.545 0 40 DHAB CCOC(=O)c1cnc2c(C)cc(F)cc2c1N(CC)CC 64874756 PGAVXQWSOBPDLU-UHFFFAOYSA-N 304.365 3.705 0 40 DHAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)c1cccnc1 65593157 PEBXKOYHIVCMFN-CQSZACIVSA-N 322.412 3.767 0 40 DHAB O=C(c1csnn1)N1CCC(c2cccc3ccccc23)CC1 65594917 ASUSAHQJLRLVMD-UHFFFAOYSA-N 323.421 3.711 0 40 DHAB Cc1cccc(N(C)C(=O)c2ccc3c(c2)nc(C)n3C)c1C 69435840 ONBLPAKMJQJNTK-UHFFFAOYSA-N 307.397 3.775 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@H]1c1cccc(F)c1 69751287 ACZJFHCHKAIFIY-LSDHHAIUSA-N 316.401 3.580 0 40 DHAB C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cnn2c1CCCC2 72145707 UTDIOKFKWCFDNT-ZDUSSCGKSA-N 322.412 3.534 0 40 DHAB Cn1cc(/C=C2\SC(=O)N=C2Nc2cccc(Cl)c2)cn1 72401708 KRNNBEULSQECSK-XGICHPGQSA-N 318.789 3.792 0 40 DHAB CC(C)C[C@H](C)OCCC(=O)NCC(C)(C)c1ccccc1 75110789 GJTJIKOJFQTYOT-INIZCTEOSA-N 305.462 3.922 0 40 DHAB CCCNC1=NC(=N)c2c(Cl)nc(-c3ccccc3)c(C)c21 78550130 QAMYBHWZSBLYCS-UHFFFAOYSA-N 312.804 3.796 0 40 DHAB CCCN1CCC(N(C)C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 84755292 BDSXXBHKLXTUBO-SJORKVTESA-N 306.494 3.558 0 40 DHAB Nc1nc2ccc(C(=O)OCc3ccccc3Cl)cc2s1 87848579 JWZWQOLKCAXNSZ-UHFFFAOYSA-N 318.785 3.889 0 40 DHAB CCNc1ncc(C(=O)N2CC=C(c3ccccc3)CC2)s1 97020118 QRGAAKVZSOBLPD-UHFFFAOYSA-N 313.426 3.504 0 40 DHAB COC(=O)c1ccc(Cn2ccnc2-c2cccs2)s1 97037376 HQFDAIMGNMJFRZ-UHFFFAOYSA-N 304.396 3.508 0 40 DHAB CCCCCCN1N=C(C)[C@@H](C(=O)c2ccc(Cl)cc2)C1=O 100491240 ZETUYCPVLHVEOY-HNNXBMFYSA-N 320.820 3.937 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)[C@H]1C[C@H]2CC[C@H]1C2 102837889 JDICAAHWQVLZSF-VPOLOUISSA-N 319.879 3.505 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nccn1Cc1ccccc1 107335097 MYWJWXHKINJYAF-YESZJQIVSA-N 309.413 3.696 0 40 DHAB C[C@H](NC(=O)COc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 108869707 CFAOEUQRNMPLNQ-XDQVBPFNSA-N 307.821 3.660 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 169619659 MSFKJQSFWWCTGC-YIUHCBHRSA-N 313.397 3.662 0 40 DHAB CCOc1cc(C(N)=O)cc(Cl)c1OCc1cccc(F)c1 216836137 OPDXVCWAQOVTTB-UHFFFAOYSA-N 323.751 3.556 0 40 DHAB O=C(NCCOc1cccc2ccccc12)c1ccc(F)cc1 223507886 ZTNDGGWQRGZCQO-UHFFFAOYSA-N 309.340 3.788 0 40 DHAB O=C(NCCOc1ccccc1)C1(c2ccccc2)CCCC1 225104305 CWLPFEYEDXZYSB-UHFFFAOYSA-N 309.409 3.694 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1 225605080 RPMOCRGIIYUWAD-MRXNPFEDSA-N 307.390 3.564 0 40 DHAB Cc1nc2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2n1C 225894529 MFBANTREXJSCHL-CQSZACIVSA-N 321.424 3.633 0 40 DHAB COc1cccc2c1N([C@H](C(=O)O)C(C)C)C(C)(C)C[C@H]2C 260613224 DZRXVEJZEHETKA-DOMZBBRYSA-N 305.418 3.897 0 40 DHAB C[C@@H]1C[C@H]1c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 525713915 SLUCCVYBNVWXMQ-LDYMZIIASA-N 300.358 3.914 0 40 DHAB COc1ccc(-c2ccc(NC(=O)c3ccccc3)c(=O)o2)cc1 526052556 NQVVRHYNOTWQCR-UHFFFAOYSA-N 321.332 3.568 0 40 DHAB CCn1cc(N(CC(C)C)C(=O)c2ccoc2C2CC2)cn1 585125235 LAIIJUMAENHFCA-UHFFFAOYSA-N 301.390 3.676 0 40 DHAB CC[C@@H](C)Oc1ccc(-c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)cc1 680752812 AHTWQZNKSUCAGL-RAEVTNRLSA-N 314.385 3.949 0 40 DHAB O=C(c1c[nH]c2c(F)ccc(Br)c12)C(F)(F)F 725239292 KRAVDHXPDSWGCE-UHFFFAOYSA-N 310.044 3.815 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-n2cccn2)c1 1775969377 NTARSFPDLYFIPL-HDICACEKSA-N 307.397 3.586 0 40 DHAB Clc1cccc(CN2CCC(Oc3nccs3)CC2)c1 2086889146 GTRLOHHYRVEHAM-UHFFFAOYSA-N 308.834 3.840 0 40 DHAB O=C(CCc1ccccc1)Nc1sc2c(c1C(=O)O)CCC2 227466 ONJIWHSZSJRAHC-UHFFFAOYSA-N 315.394 3.506 0 40 DHAB C[C@@H]1CC2(C)C[C@@H](C)C1(COC(=O)NC1CCCCC1)CO2 244417 ZMDXDZFDQRGJIR-JDPPGYRCSA-N 309.450 3.887 0 40 DHAB biogenic COc1ccc(C)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C 583270 QMKKPUZLXMBJRD-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c(C)c1 1472316 SINQWQGSNLHLHG-UHFFFAOYSA-N 315.438 3.901 0 40 DHAB COc1cc(N(C(C)=O)c2ccc(O)cc2)c2ncccc2c1 1717564 ZSLZDZRQUXAUMX-UHFFFAOYSA-N 308.337 3.634 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1CCCC[C@@H]1C 2493223 VTDUMFHAAHMNGU-YJBOKZPZSA-N 314.473 3.802 0 40 DHAB O[C@@](c1ccccc1)(c1ccncc1)C(F)(F)C(F)(F)F 2528693 KPGVGHYFJYBYAV-LBPRGKRZSA-N 303.230 3.515 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN[C@H](C)c1ccccc1 2694370 RKIYHUWPPCZGFT-SJLPKXTDSA-N 313.441 3.901 0 40 DHAB CN(C(=O)/C=C/c1ccc(Br)o1)c1ccccc1 3187871 MYGHTKFGFWZUHW-CSKARUKUSA-N 306.159 3.718 0 40 DHAB O=C(Nc1nncs1)c1cc(-c2ccco2)nc2ccccc12 3244567 JDPQPVGNJIVWFF-UHFFFAOYSA-N 322.349 3.599 0 40 DHAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCCC1 3491083 FRAVPKGKOUNVSD-INIZCTEOSA-N 324.424 3.688 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccccc2C)c2ncccc2c1 4619526 GHOKZEBBOXYXCB-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB COc1ccc(Cl)cc1NCC(=O)Nc1ccc(C)cc1 5414580 JUDMGBSRFDSQKG-UHFFFAOYSA-N 304.777 3.708 0 40 DHAB CC(=O)c1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1 5576011 RKUVNDGIMVLIBC-UHFFFAOYSA-N 307.349 3.909 0 40 DHAB CC1=C[C@@](O)(c2ccc(-c3ccccc3Cl)cc2)OC1=O 5757779 FSAOEXNRJZJMPP-KRWDZBQOSA-N 300.741 3.655 0 40 DHAB COc1cccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)c1 6507753 ACVJAQXBNCFWTG-UHFFFAOYSA-N 321.376 3.902 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 7882135 KFHMEAUNMXFCRG-DOTOQJQBSA-N 322.408 3.543 0 40 DHAB O=C(O)Cc1csc(Nc2ccc(Cl)cc2Cl)n1 8024894 QQQRNOWAYYKBDV-UHFFFAOYSA-N 303.170 3.821 0 40 DHAB O=C(O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21 9219683 QBGQHQHUBGJWIX-UHFFFAOYSA-N 316.360 3.865 0 40 DHAB CC(=O)Nc1ccccc1OCCOc1cccc(Cl)c1 9737661 NLCRIXWCEFRYBY-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)OC)cc1 10331453 FXXOGZBKGZUXIB-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB CCC[C@@H](C)NC(=O)NCc1ccc2cc(OC)ccc2c1 10465619 KGTMKRRXQYEROE-CYBMUJFWSA-N 300.402 3.836 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]([C@H](O)c2ccc(F)cc2)C1 12141941 IERYFFQDBOOVPT-DZGCQCFKSA-N 309.381 3.506 0 40 DHAB CCc1ccc(CN(C)CC(=O)N[C@H](C)c2cccs2)cc1 12866525 FOIJPMNGVORQTP-CQSZACIVSA-N 316.470 3.620 0 40 DHAB CCc1cccc(C)c1NC(=O)NC[C@H](C)N1CCC(C)CC1 13964686 FLMSTFNYUCBBIX-INIZCTEOSA-N 317.477 3.799 0 40 DHAB O=S(=O)(Nc1ccc(F)cc1)c1c(Cl)cccc1Cl 16101082 IJTCORUMSISNED-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB Nc1nc(Nc2ccccc2)nc(-c2cc3ccccc3o2)n1 17027208 VOYMCSOVJRFOEA-UHFFFAOYSA-N 303.325 3.611 0 40 DHAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 20450144 BASXEIJSWCKBNZ-CQSZACIVSA-N 313.397 3.514 0 40 DHAB CCCCCC(=O)NC(=S)Nc1cccc2nc(C)ccc12 21595835 DLLRAAMKHLPTKM-UHFFFAOYSA-N 315.442 3.937 0 40 DHAB O=C(CCC(=O)c1ccccc1)Nc1cccc(-c2ccn[nH]2)c1 24883647 VGZPRXUGMNJDRY-UHFFFAOYSA-N 319.364 3.678 0 40 DHAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1F 24965364 WSWDRIRQTZHOIR-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB Cc1cccc(N(CC(=O)c2ccccc2)C2=NCCS2)c1 26506124 URAHMQPWTLSSRI-UHFFFAOYSA-N 310.422 3.787 0 40 DHAB N=C1S[C@H](c2ccc(F)cc2)CC(=O)N1c1ccccc1 28296496 XBMWSNFITQQPPF-AWEZNQCLSA-N 300.358 3.972 0 40 DHAB Cc1nc2cc(NC(=O)c3ccn(-c4ccccc4)n3)ccc2o1 32804886 NCHCLJJFVNJAOY-UHFFFAOYSA-N 318.336 3.574 0 40 DHAB C[C@H]1CCCCN1CC(=O)N[C@H](C)c1cccc2ccccc12 36422070 JPHNFGDUMGHUFQ-JKSUJKDBSA-N 310.441 3.891 0 40 DHAB CC(C)Cc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2)cc1 40017888 XNARDKRWPUOOMJ-HNNXBMFYSA-N 310.441 3.835 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1 40540597 RTAUSVMMDPXBDS-UHFFFAOYSA-N 313.357 3.577 0 40 DHAB Cc1cccc(CCNC(=O)c2cccc(-n3cccc3)c2)c1 40665239 LLSZZVVONOMCPD-UHFFFAOYSA-N 304.393 3.758 0 40 DHAB CC(C)Oc1ccc(CNC(=O)c2cc(Cl)ccc2F)cn1 48344431 JRAXJRAMKSQBKP-UHFFFAOYSA-N 322.767 3.591 0 40 DHAB CCOc1ccc2cc(C(=O)N[C@@H](C)c3ccc(C)o3)[nH]c2c1 48366851 VXXJXIHYZHSZQA-LBPRGKRZSA-N 312.369 3.959 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccsc2)N1c1ccncc1 48368433 NJUIRXZVOOCAFH-INIZCTEOSA-N 307.378 3.914 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccccc1OC)n2C 49728957 WTRSCZFCJUMANN-UHFFFAOYSA-N 324.380 3.838 0 40 DHAB CC(C)(C)CC(=O)Nc1nc(CN2CCCCCC2)cs1 54828058 DRKNEICFHZKDGH-UHFFFAOYSA-N 309.479 3.894 0 40 DHAB C[C@@H](c1ccco1)N(C(=O)Cc1noc2ccccc12)C1CC1 56184369 MSVAFWMYQXVDFT-LBPRGKRZSA-N 310.353 3.716 0 40 DHAB C[C@@H](c1nccs1)N(C)C(=O)CCc1c[nH]c2ccccc12 67881108 ZDXFFOBRVZAAFP-LBPRGKRZSA-N 313.426 3.777 0 40 DHAB CC(C)c1nn(C)c(Cl)c1CNCc1ccc([C@H](C)O)cc1 71825317 ZVDVMBHQKWOMRL-LBPRGKRZSA-N 321.852 3.540 0 40 DHAB Cc1cccc(CNC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 72286243 HNPATLBIHINLLR-MRXNPFEDSA-N 306.450 3.634 0 40 DHAB O=C(CCc1ccccn1)N1CC[C@H]1c1ccc(Cl)cc1 78878649 QEMQVGRILCXUSV-INIZCTEOSA-N 300.789 3.641 0 40 DHAB CC[C@@H](NC(=O)N(C)C(C)C)c1ccccc1OC(F)F 86365598 DPQMFKQXZJEOOL-GFCCVEGCSA-N 300.349 3.789 0 40 DHAB COc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)c2ccccc12 95968452 RXBGKKFICYEPCW-UONOGXRCSA-N 309.413 3.994 0 40 DHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Oc1cccc3cccnc13)CC2=O 100936200 MBFAJMXGNCZOKK-PMACEKPBSA-N 323.392 3.926 0 40 DHAB CCc1cc(NC(=O)c2cnc(-c3ccccc3)s2)nc(C)n1 174204480 OVJHADLGAJRASP-UHFFFAOYSA-N 324.409 3.723 0 40 DHAB Cc1nc(C(=O)N2CCS[C@H](c3cccs3)CC2)cs1 219464109 GQRMHTGAHFMJQC-ZDUSSCGKSA-N 324.496 3.833 0 40 DHAB COc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225102897 HABWQXWNTNAMNE-IBGZPJMESA-N 322.360 3.923 0 40 DHAB C[C@H](NC(=O)c1ccc2c(c1)OCC1(CC1)CO2)c1ccccc1 225363597 FVRYQRSBKWSRRT-AWEZNQCLSA-N 323.392 3.729 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1 225595060 HDVPBNBEGLOOKS-OAHLLOKOSA-N 307.390 3.564 0 40 DHAB COC(=O)c1cccc(NC(=O)Cc2ccc(C)cc2C)c1C 225671814 XQHZCBBQISTCTH-UHFFFAOYSA-N 311.381 3.580 0 40 DHAB Cc1cc(C)cc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)c1 225744214 KQWBLJIAPQLIHR-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cccc(F)c1 225793236 DRVPQXAZGUNTGE-UHFFFAOYSA-N 321.355 3.767 0 40 DHAB CCOc1ccc(NC(=O)C(C)(C)OCC)c2ccccc12 225815867 RVAKBTIRYOXNAN-UHFFFAOYSA-N 301.386 3.992 0 40 DHAB c1ccc(-n2ccc(CNCc3ccc4occc4c3)n2)cc1 352765471 NNVWYLFFJVJTHD-UHFFFAOYSA-N 303.365 3.908 0 40 DHAB CN(Cc1csc(-c2ccccc2)n1)C[C@@H]1CCCCO1 535830354 SVQPFZSOPIOVNJ-INIZCTEOSA-N 302.443 3.811 0 40 DHAB CS(C)(=O)=Nc1cccc(NC(=O)c2ccoc2C2CC2)c1 585090947 CTFWHLNURRJDBN-UHFFFAOYSA-N 318.398 3.768 0 40 DHAB CCOC(=O)c1cc(Br)c2c(Cl)cccc2n1 685937295 MRULCKRINVUSNC-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB Cc1noc(C)c1C(=O)Nc1nc2ccc(Cl)cc2s1 155925 FEKIERSZUXSGNB-UHFFFAOYSA-N 307.762 3.807 0 40 DHAB O=C(c1ccco1)c1nnn(-c2ccccc2)c1-c1ccccc1 194527 IXPVQSFWOGIXIO-UHFFFAOYSA-N 315.332 3.758 0 40 DHAB CCCn1c(C(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 862241 AIKNHGZDDGEJJS-UHFFFAOYSA-N 324.380 3.695 0 40 DHAB Clc1ccc2c(NCc3ccc4c(c3)OCO4)ncnc2c1 1405687 QKTINADOZXCJNN-UHFFFAOYSA-N 313.744 3.624 0 40 DHAB CCCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 1804713 XWRUGPLHDYSYPX-UHFFFAOYSA-N 301.781 3.681 0 40 DHAB COc1cc2c(cc1OC)/C(=C/c1ccccc1C)C(=O)OC2 2158897 UCWCUQFXVIXLPE-PXNMLYILSA-N 310.349 3.610 0 40 DHAB biogenic CC1(C)C[C@](CCN)(c2cccc(C(F)(F)F)c2)CCO1 2416163 CFLWWOUJHSGOBX-OAHLLOKOSA-N 301.352 3.881 0 40 DHAB Brc1ccc(CSc2nnc3ccccn23)cc1 3294961 SQOVZGRTONBMIQ-UHFFFAOYSA-N 320.215 3.784 0 40 DHAB O=C(COc1ccc(Cl)cc1Br)c1ccc[nH]1 5048538 ZHRPVXAWHUYNLA-UHFFFAOYSA-N 314.566 3.692 0 40 DHAB CC(C)c1ccc(CSc2nnc(-c3ccco3)n2N)cc1 5336034 BHIPBFCILVXBMX-UHFFFAOYSA-N 314.414 3.668 0 40 DHAB C[C@]12CCCC[C@]13NC(=O)c1ccccc1CN3c1ccccc12 5394114 GSSNBIWIBKOZMJ-NHCUHLMSSA-N 318.420 3.978 0 40 DHAB COC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 5403937 DPKOSNASTCJVAV-UHFFFAOYSA-N 309.365 3.604 0 40 DHAB O=C(Nc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 5483810 GBCZLNPARMUTMF-UHFFFAOYSA-N 309.152 3.571 0 40 DHAB CCCc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 5597725 JVPFIAXHARQKJK-UHFFFAOYSA-N 323.845 3.771 0 40 DHAB CCc1ccc(C(=O)[C@H](C)Sc2nnc3ccccn23)cc1 6114974 PAZLMIJJSGZLDH-LBPRGKRZSA-N 311.410 3.655 0 40 DHAB CCCCOc1ccc(NS(=O)(=O)c2ccccc2)cc1 6264455 AFYFCVUFZHEICK-UHFFFAOYSA-N 305.399 3.666 0 40 DHAB Cc1ccccc1C1=NCC(=O)Nc2sc3c(c21)CCCC3 6557041 XRSPFANIPWOHER-UHFFFAOYSA-N 310.422 3.725 0 40 DHAB NC(=S)c1cccc(OCCOc2cccc3ccccc23)c1 6576472 VFEFJYZYCBQNSK-UHFFFAOYSA-N 323.417 3.932 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6741891 WIGFLPLDFXLMGI-CLWVCHIJSA-N 315.413 3.804 0 40 DHAB Cc1cc(C2=NN=C(N[C@@H]3CCCC[C@H]3C)SC2)c(C)n1C 8327603 GGQLAEFRGGZPEF-IAQYHMDHSA-N 318.490 3.617 0 40 DHAB Cc1ccc(-c2cc(NC(=O)COc3cccc(C)c3)on2)cc1 8869069 WJLRSMWCRANXCF-UHFFFAOYSA-N 322.364 3.976 0 40 DHAB COc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 8942239 ZIQOEUCPTVZRKG-HNNXBMFYSA-N 317.385 3.801 0 40 DHAB Cc1ccc(OCCC(=O)Nc2ccc3oc(C)nc3c2)cc1 9154032 FKAIWJNMVONFCE-UHFFFAOYSA-N 310.353 3.852 0 40 DHAB Cn1cc(/C=C2/CC(=O)N(c3ccccc3)C2=O)c2ccccc21 9344362 KOCWZHPFBOSCJQ-KAMYIIQDSA-N 316.360 3.525 0 40 DHAB C[C@@H](NC(=O)CSc1nc2ccccc2s1)c1ccco1 9496073 ZJSLICPIKRZCTQ-SNVBAGLBSA-N 318.423 3.859 0 40 DHAB CCOC(=O)c1oc2cc(NC(=O)C(C)(C)C)ccc2c1C 9659885 ZBFMLIBFTDJROH-UHFFFAOYSA-N 303.358 3.903 0 40 DHAB biogenic CC(C)c1ccc(CN(C)C(=O)Nn2cnc3ccccc32)cc1 10403053 VNASFOUSZWAKFR-UHFFFAOYSA-N 322.412 3.955 0 40 DHAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCCC1 12759822 CQJMEKCYOCCDIL-UHFFFAOYSA-N 313.784 3.807 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=S)[nH]c2ccccc21 13534370 MEQYQCQGGGIXEB-GFCCVEGCSA-N 323.421 3.677 0 40 DHAB Clc1ccc(CNc2nc(-c3ccco3)n[nH]2)c(Cl)c1 13844101 PCHSBZZASHEDOY-UHFFFAOYSA-N 309.156 3.984 0 40 DHAB Cc1cccc(OCCC(=O)Nc2cccc3cccnc23)c1 14517841 XZGHRRZVACQYKL-UHFFFAOYSA-N 306.365 3.951 0 40 DHAB CCCCc1nc2sc3c(=O)[nH]cnc3c2c2c1CCCC2 18068999 OECIBPGDHJKIBN-UHFFFAOYSA-N 313.426 3.754 0 40 DHAB COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2)c1 19566015 BBTRJBRIOVGVLB-QKLQHJQFSA-N 324.424 3.522 0 40 DHAB COc1ccccc1[C@@H]1S[C@@H](C)C(=O)N1c1ncc(C)s1 19927588 JBPMMIZVSMMQRM-HZMBPMFUSA-N 320.439 3.627 0 40 DHAB O=C1CCCN1c1ccc(NC(=S)Nc2ccccc2)cc1 20034750 QWBROEINSCVQFG-UHFFFAOYSA-N 311.410 3.622 0 40 DHAB Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 27604827 BTJBMZFQQBHNOP-MRXNPFEDSA-N 314.454 3.623 0 40 DHAB Cc1nc(CSc2nc(CCC3CCCC3)n[nH]2)cs1 29621360 IMZPLICLVQGKIZ-UHFFFAOYSA-N 308.476 3.985 0 40 DHAB O=C(NCCCN1CCc2ccccc21)c1cc2ccccc2o1 31253941 YJOOTZAJYQWFEY-UHFFFAOYSA-N 320.392 3.615 0 40 DHAB O=C(/C=C/c1cccs1)Nc1cccc(Cn2cccn2)c1 31968816 GSLVKTLHCCCHEU-BQYQJAHWSA-N 309.394 3.645 0 40 DHAB COP(=O)(OC)[C@H](/C=C(\Cl)c1ccccc1)N(C)C 33376626 BYTZWWDLTWSOGT-KXXVWKPMSA-N 303.726 3.640 0 40 DHAB CCN(CC)[C@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 40007697 LMFVHFTYVVTBIC-FUHWJXTLSA-N 300.446 3.542 0 40 DHAB O=C(CSCc1ccc(Cl)cc1)NCCc1ccco1 43950407 DGLWJLUUMMGDOG-UHFFFAOYSA-N 309.818 3.525 0 40 DHAB Fc1cc(Br)ccc1OCCNC1CCCCC1 53586216 CBXQJIDDEVZJRZ-UHFFFAOYSA-N 316.214 3.889 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)N2CCCCCC2)cc1 58467519 ZHVHAEVKVDYWHA-UHFFFAOYSA-N 317.477 3.614 0 40 DHAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N(C)C 59875436 NVEWSIAMGOTFFT-LBPRGKRZSA-N 322.758 3.884 0 40 DHAB O=C(CSCc1coc(-c2cccs2)n1)NCC1CCC1 66586061 AABGWYKPATWBSJ-UHFFFAOYSA-N 322.455 3.553 0 40 DHAB Cc1csc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 69809252 SBYRXMPYKVSKEK-UHFFFAOYSA-N 314.454 3.790 0 40 DHAB Cc1noc(C)c1CC(=O)Nc1cc(C2CCCCCC2)[nH]n1 71914432 DYPZOKBMIUFVGD-UHFFFAOYSA-N 316.405 3.634 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)COC2CCCCC2)n1 72232431 YKPLJXZMQBFJOU-OAHLLOKOSA-N 322.474 3.854 0 40 DHAB O=C(NCc1cccs1)N1CCC(c2ccsc2)CC1 75157173 WMGLGDVUEXCOIL-UHFFFAOYSA-N 306.456 3.899 0 40 DHAB C[C@@H](NC(=O)Nc1cccc2ccccc12)C(C)(C)CN(C)C 76091970 DRVUPNGLKNKVHG-CQSZACIVSA-N 313.445 3.938 0 40 DHAB C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1csc(C2CC2)n1 79036762 YCESGDLYRPXDKG-QMMMGPOBSA-N 322.817 3.871 0 40 DHAB CCn1nc(C(C)C)cc1C(=O)Nc1cc(C)nc(C(C)C)n1 83836793 NMAUMXMBZKIKFB-UHFFFAOYSA-N 315.421 3.501 0 40 DHAB CCCS(=O)(=O)c1ccc(Br)c2ccccc12 85391734 XUUNNCBRCCGVQY-UHFFFAOYSA-N 313.216 3.786 0 40 DHAB O=C1C[C@@H](CNc2ncccc2C(F)(F)F)c2ccccc2N1 89857727 MZLTUARZPDBOLO-JTQLQIEISA-N 321.302 3.638 0 40 DHAB CCc1sc([C@H](C)NC(=O)[C@H](C)C2CCOCC2)cc1C 95440055 OYGPIQPSILSWJL-OLZOCXBDSA-N 309.475 3.859 0 40 DHAB C[C@@H](Nc1ncnc2ccc(Br)cc12)c1ccon1 95460507 LMFDVXZAWPIXOB-MRVPVSSYSA-N 319.162 3.553 0 40 DHAB Cc1cc2nc(NS(=O)(=O)c3ccccc3)sc2cc1C 95471448 DREVICHTFQCCQX-UHFFFAOYSA-N 318.423 3.714 0 40 DHAB Cc1c(C(=O)NCC2([C@H](O)C(C)C)CC2)oc2c(C)cccc12 95987119 ZCQIVCYRVQVYRI-QGZVFWFLSA-N 315.413 3.577 0 40 DHAB CC[C@](CNC(=O)c1cc(C)oc1C)(OC)c1ccccc1 96123689 YHOARQZBGUWZHQ-GOSISDBHSA-N 301.386 3.578 0 40 DHAB CCn1nc(C)c2nc(C)nc(Nc3cc(C)ccc3OC)c21 96193145 CMOQVMWQHSCENA-UHFFFAOYSA-N 311.389 3.524 0 40 DHAB CC[C@@H]([C@@H](N)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96524937 JNBSFQJXABHEKT-ROUUACIJSA-N 317.454 3.567 0 40 DHAB CC[C@@H](Cc1cccs1)N[C@@H](C(=O)OC)c1ccccc1 97143564 SIKGULZRAPRYIX-GOEBONIOSA-N 303.427 3.573 0 40 DHAB CCc1cccc(N2C(=O)/C(=C/c3ccccc3)NC2=S)c1 105556944 QAYTWHYUTGALIK-VBKFSLOCSA-N 308.406 3.511 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1cccc(C(F)(F)F)c1 106303756 ZXNKMFYOWWPVSM-UHFFFAOYSA-N 320.314 3.660 0 40 DHAB CC(C)CCN[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 164192415 LLEKJEMHARAULF-GVDBMIGSSA-N 311.853 3.637 0 40 DHAB O=C(O)c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1Cl 179234266 PKNYQCOXKBFBEK-UHFFFAOYSA-N 317.719 3.802 0 40 DHAB CCC1(CC)Oc2ccc(NC(=O)c3ncoc3C)cc2O1 188820204 HLTJDIODYPCOTC-UHFFFAOYSA-N 302.330 3.523 0 40 DHAB Fc1cc(Cl)ccc1CNCc1cccc(-c2nnc[nH]2)c1 195572374 XLFIIJAYEPVVSD-UHFFFAOYSA-N 316.767 3.554 0 40 DHAB COc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1C 223113500 TWQWVTJSHIUEPI-UHFFFAOYSA-N 313.397 3.721 0 40 DHAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(C)(C)C)cn1 223882516 COVUSXZCYGGYJO-GFCCVEGCSA-N 306.479 3.545 0 40 DHAB COc1cccc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)O)c1 225077660 NTAFYURTIRYXNQ-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2nnc(SC(C)C)s2)c1 225272963 YGDDISGGRRFOKW-UHFFFAOYSA-N 307.444 3.908 0 40 DHAB S=C(NCCCc1ccccc1Cl)Nc1ccncc1 225542555 ISNFZDCEQKPVKP-UHFFFAOYSA-N 305.834 3.654 0 40 DHAB COc1c(C)cc(NC(=O)C2(OC)CCCCCC2)cc1C 225632175 FQTCQCFQMHDKJF-UHFFFAOYSA-N 305.418 3.990 0 40 DHAB Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c(C)c1 226036332 DIPJHTQDWWTHRK-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1cc(NC(=O)c2ccc(F)cc2)cc(Br)c1O 226242903 FFWFCJRYOQOJET-UHFFFAOYSA-N 324.149 3.855 0 40 DHAB CCCN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409241211 SCKFURVYPJZOJS-NTEUORMPSA-N 300.383 3.923 0 40 DHAB C[C@H](NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1cscn1 528044705 JUCRXHSPASJBNL-TVQRCGJNSA-N 321.833 3.844 0 40 DHAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N1C[C@@H]2CCC[C@@H]21 531623603 TXOTUKDLLXPXEU-YOEHRIQHSA-N 322.412 3.766 0 40 DHAB COC(=O)c1cc(Br)c(C)c(C)c1Br 1554770936 PQZIMVBIXJTZEI-UHFFFAOYSA-N 321.996 3.615 0 40 DHAB Fc1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 221834 JCBBNHRCHPMKOX-STQMWFEESA-N 300.362 3.625 0 40 DHAB COc1ccc(OC(=O)c2ccc(Br)cc2)cc1 362887 XMNSZHBDFFBMBT-UHFFFAOYSA-N 307.143 3.677 0 40 DHAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 1934300 XWTZHSVPDNVVQT-UHFFFAOYSA-N 311.381 3.780 0 40 DHAB COc1ccc2nc(NC(=O)Cc3ccccc3F)sc2c1 3343670 SUCVIYACDUBKRP-UHFFFAOYSA-N 316.357 3.625 0 40 DHAB S=c1n(CN2CCCCC2)nc2c(Cl)cc(Cl)cn12 3369010 ILQOWQCNOCLZHH-UHFFFAOYSA-N 317.245 3.615 0 40 DHAB Cc1ccc(NC(=O)NCCOc2ccccc2F)cc1Cl 3434509 PAFDIVSXWGFBBF-UHFFFAOYSA-N 322.767 3.988 0 40 DHAB CCc1ccc(C(=O)CSc2nncn2-c2ccccc2)cc1 3452666 SVERCZCCDFNXQG-UHFFFAOYSA-N 323.421 3.805 0 40 DHAB CC(C)(C)C(=O)Nc1nnc(SCc2ccccc2)s1 4086570 GLZGNPWFSOBPBS-UHFFFAOYSA-N 307.444 3.815 0 40 DHAB O=c1oc2ccccc2n1CCCOc1ccccc1Cl 4511516 HJOLIVJOXQTKMM-UHFFFAOYSA-N 303.745 3.717 0 40 DHAB O=C(CCSc1nc(-c2ccccc2)cs1)N1CCCC1 4668937 NZARPOGJCVQHQE-UHFFFAOYSA-N 318.467 3.915 0 40 DHAB Cc1cc(Nc2cc(F)ccc2C)nc(-n2nc(C)cc2C)n1 4942008 XHRJTZIBKUXQID-UHFFFAOYSA-N 311.364 3.779 0 40 DHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc3ccccc3n2)c1 5079608 XNEPSOFIQRERDC-UHFFFAOYSA-N 319.360 3.891 0 40 DHAB Cc1ccc(Cn2ccc(O)c(Cc3ccccc3)c2=O)cc1 6009288 VIKDFSQMMLHWEP-UHFFFAOYSA-N 305.377 3.501 0 40 DHAB CCCn1c(NC(=O)c2cccc(N(C)C)c2)nc2ccccc21 6153917 ITZVAFZXCVRHHM-UHFFFAOYSA-N 322.412 3.765 0 40 DHAB COc1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1 6236582 ZMMDRJWLSMVEEW-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB O=C(Cc1csc(-c2ccccc2)n1)NC1CCCCC1 6337511 JMVQBUQSQILGRB-UHFFFAOYSA-N 300.427 3.802 0 40 DHAB Cc1ccc2nc(CSc3nncn3-c3ccccc3)cn2c1 7677551 DBLHAFFWKMUFAN-UHFFFAOYSA-N 321.409 3.516 0 40 DHAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 10110580 RCNYJHVOTBCSIV-OAHLLOKOSA-N 315.388 3.650 0 40 DHAB CCOc1ccc2nc(SCc3nccn3C(F)F)[nH]c2c1 12529800 HTJWUQPEQQAIHC-UHFFFAOYSA-N 324.356 3.846 0 40 DHAB Cc1sc2nc(CNc3ccccc3Cl)[nH]c(=O)c2c1C 13362344 RCHFTBUUFFCFML-UHFFFAOYSA-N 319.817 3.867 0 40 DHAB FC(F)(F)c1ccccc1NC(=S)NCc1ccncc1 13838708 UHMIUQUOHNHCAG-UHFFFAOYSA-N 311.332 3.587 0 40 DHAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCCCCCC1 14915725 FFCBIOARBWRECM-AWEZNQCLSA-N 308.853 3.611 0 40 DHAB c1ccc([C@H]2CCN[C@@H]3CCCCN(Cc4cccnc4)[C@@H]32)cc1 19373932 IPIVRNNOFVDKTP-NJDAHSKKSA-N 321.468 3.582 0 40 DHAB C[C@@H]1CCC[C@H](N2CCN(CCCc3ccccc3)CC2)C1 19900101 KOXWBYMAFNJUMY-QUCCMNQESA-N 300.490 3.816 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20137427 MVAYUWIETJCVND-UHFFFAOYSA-N 307.349 4.000 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1Cl 20139337 VWGBOYAGWRJPEA-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB CCCOc1cccc(C(=O)Nc2cc(C(=O)O)ccc2C)c1 20141464 DSGJMQNDDWXOQA-UHFFFAOYSA-N 313.353 3.734 0 40 DHAB CCOc1ccc(CC(=O)Nc2ccc3scnc3c2)cc1 21000957 SMKHIFKNAVYMSB-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB CCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 27662748 JWUQMBFXAGSCQO-GOSISDBHSA-N 302.462 3.828 0 40 DHAB Cc1cccc(Cn2ccc(NC(=O)c3cc(C)oc3C)n2)c1 27916347 XQINQDCYCCZGEL-UHFFFAOYSA-N 309.369 3.702 0 40 DHAB CC1CCN(CCCNC(=O)c2cc3ccccc3s2)CC1 28068772 JPHKLEADWYZKAO-UHFFFAOYSA-N 316.470 3.753 0 40 DHAB Cc1cc([C@H](C)NC(=O)Cc2noc3ccccc23)c(C)s1 31951288 DYKDIWHPUOTCIR-NSHDSACASA-N 314.410 3.926 0 40 DHAB C[C@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 32817852 SADVHINUYLUVNW-QGZVFWFLSA-N 318.420 3.940 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)NCCSc1ccccc1 38753398 ZSOHSOOJLGOMAU-HNNXBMFYSA-N 315.438 3.671 0 40 DHAB COC(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127134 KOQUNGVCBLAVMZ-UHFFFAOYSA-N 301.729 3.864 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)c1cc2c(s1)CCC2 43745366 VEDZMZIIQQZZRS-UHFFFAOYSA-N 313.422 3.838 0 40 DHAB CC(C)CC[C@]1(CCN2CCOCC2)CCO[C@@H](C(C)C)C1 49762648 WJJUOFFEYGAKBZ-MOPGFXCFSA-N 311.510 3.966 0 40 DHAB Cc1cc(CNC(=O)/C=C/c2cccc(-c3ccccc3)c2)on1 50353748 JNRLFYNCOABCGX-ZHACJKMWSA-N 318.376 3.980 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 55672342 CEJXCMPSQXFUTB-QMMMGPOBSA-N 312.291 3.801 0 40 DHAB COc1ccc([C@@H](C)NC(=O)COc2cccc(C)c2C)cc1 59351906 DCACWLPBHVHIMO-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2cccc(C)c2C)ccc1F 66489567 YXWDIOQOQNEQIX-UHFFFAOYSA-N 316.332 3.873 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@H]1c1ccco1 67022690 ZAGYOMZDWBISDL-GHMZBOCLSA-N 311.366 3.540 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 68960420 WKGGYQWMLYZYRC-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB CC1CCC(OC2CCN(C(=O)Nc3cccnc3)CC2)CC1 69808435 JUXVTMGUYCZZDK-UHFFFAOYSA-N 317.433 3.673 0 40 DHAB CC(C)c1cc(C(=O)Nc2cccc(Oc3ncccn3)c2)on1 70773486 VGNWAKAOHHBDLT-UHFFFAOYSA-N 324.340 3.633 0 40 DHAB CC(C)c1nnc(CN2CCC[C@H]2c2cccc(N(C)C)c2)o1 75838424 CMDOFRFEGYTUNT-INIZCTEOSA-N 314.433 3.596 0 40 DHAB Cc1nc(-c2cccc(NCc3csc(C4CC4)n3)c2)no1 89718511 XHYXZICZZAFPRW-UHFFFAOYSA-N 312.398 3.991 0 40 DHAB O=C(Cc1c[nH]c2ncccc12)N1CCCCC[C@@H]1c1ccco1 89800284 GNNIKHGLBFRXQA-MRXNPFEDSA-N 323.396 3.842 0 40 DHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC(F)(F)F 89913738 WDOOGDFXMCGACG-MRVPVSSYSA-N 317.336 3.561 0 40 DHAB CCc1nn(C)cc1CN[C@H]1CC(C)(C)Cc2oc(C)cc21 92372009 DXXOHGXOWTZMLG-INIZCTEOSA-N 301.434 3.687 0 40 DHAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccc(O)cc1 97165199 HRWZGQJQDMECTP-OAHLLOKOSA-N 322.320 3.570 0 40 DHAB COc1cccc2cc(C(=O)NCCCc3ccccc3)oc12 97254589 RULVWSBAYWATKL-UHFFFAOYSA-N 309.365 3.804 0 40 DHAB COc1ccc(/C=C/Nc2cc3c(cc2C(C)=O)OCO3)cc1 100354040 HVCVSIBWQLCPIP-BQYQJAHWSA-N 311.337 3.709 0 40 DHAB CCCCOc1ccc(CNC[C@H]2CCCO2)cc1OCC 119591584 ICJVBZVIZNJFMA-MRXNPFEDSA-N 307.434 3.533 0 40 DHAB CCO[C@H](C)c1nc(CN[C@H]2CC(C)(C)OC2(C)C)cs1 119894655 YPXWPPSSTROEPO-YPMHNXCESA-N 312.479 3.676 0 40 DHAB OCCOc1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 129486841 XCRHKACKZSNBDG-YPMHNXCESA-N 303.324 3.591 0 40 DHAB CCOc1ccc(C(C)=O)cc1CO[C@@H]1CCCc2c[nH]nc21 190166751 LPHPKHTVMVSZMZ-QGZVFWFLSA-N 314.385 3.605 0 40 DHAB Cc1cc(-c2ccccc2)n2nc(C)c(Br)c2n1 215880795 RLYZPMXPHHJKPP-UHFFFAOYSA-N 302.175 3.776 0 40 DHAB CCCOc1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1 216958285 CPTXKNOPNSVVKD-UHFFFAOYSA-N 323.348 3.817 0 40 DHAB CCc1ccc(OCCNC(=O)c2cccc(Cl)c2)cc1 223371329 QNBHBFGAMDTAAV-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB O=C(O)c1ccccc1-c1ccc(CN2CCCCCC2=O)cc1 257268657 MMPHSQRWYLFXPE-UHFFFAOYSA-N 323.392 3.954 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCn2nc(C3CC3)cc2C1 390831737 UKYUVBKBKHUBJU-UHFFFAOYSA-N 323.421 3.631 0 40 DHAB F[C@@]1(c2cccc(Cl)c2)CCN(c2ncnc3[nH]ccc23)C1 509524128 DFCQPOMDTVBVKM-INIZCTEOSA-N 316.767 3.686 0 40 DHAB O=S(=O)(Nc1ccccc1-c1ncco1)C1=CCCCC1 585136633 NRTZGRGYJQWDLX-UHFFFAOYSA-N 304.371 3.541 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1ccc2c3c(cccc13)CC2 342012 AVXDOTOLMKEJQS-UHFFFAOYSA-N 312.438 3.798 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)c1cccnc1Cl 1850104 CBCLLTGDSVTDTI-UHFFFAOYSA-N 307.737 3.736 0 40 DHAB COc1cccc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc12 4502609 KILBJVJIQNKPQL-UHFFFAOYSA-N 320.348 3.962 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 4667019 WZPVLISDYINILH-UHFFFAOYSA-N 307.390 3.924 0 40 DHAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)NC(C)(C)C)cc1 4854522 JTNZRIYAGXLBIT-KRWDZBQOSA-N 311.429 3.710 0 40 DHAB C[C@@H]1CCc2nc(NC(=O)Cc3ccccc3F)sc2C1 6995151 YKLWRSOMLVENQU-SNVBAGLBSA-N 304.390 3.588 0 40 DHAB CC(=O)c1cccc(NC(=O)CSCc2ccc(F)cc2)c1 7146524 ZFFJGNTYWHVFHY-UHFFFAOYSA-N 317.385 3.900 0 40 DHAB CSc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 7745797 VCYVSKHKOHMWRU-UHFFFAOYSA-N 307.440 3.826 0 40 DHAB CCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 7770755 QXHVDHBYCDLGFE-UHFFFAOYSA-N 309.365 3.534 0 40 DHAB COc1cc(NC(=O)c2ccc(CSC)cc2)cc(OC)c1 7786087 ZHGZYZRSSANYQL-UHFFFAOYSA-N 317.410 3.819 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)Cc1cccs1 8244065 ZTTJSVGZWXMMPM-UHFFFAOYSA-N 302.424 3.559 0 40 DHAB CC(C)Oc1ccc(C(=O)NCCSCc2ccco2)cc1 8498946 GEQGSQWIJACUCU-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(Cl)cc2)c1C 8986306 PBBWRHLMJMPFPM-UHFFFAOYSA-N 318.804 3.760 0 40 DHAB O=C1/C(=C/c2ccccc2Cl)NC(=S)N1C1CCCCC1 9188246 IMXKJVGMDXKBSI-UVTDQMKNSA-N 320.845 3.730 0 40 DHAB C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)c1c[nH]c2ccccc12 9336794 DHPPIIDFYCDVJF-SECBINFHSA-N 316.744 3.578 0 40 DHAB Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1 10132745 APJLRXVUICPZHQ-LLVKDONJSA-N 319.836 3.500 0 40 DHAB CC1=C(C(=S)Nc2ccccc2)[C@@H](c2ccccc2)NC(=O)N1 10272195 PGQRHNXZEOIQIP-MRXNPFEDSA-N 323.421 3.754 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1F 11636872 IBTOUBMUJDJRTL-MRXNPFEDSA-N 303.333 3.630 0 40 DHAB CSCc1csc(NC(=O)Cc2ccc(Cl)cc2)n1 12230176 BXGVETNMSAZNDE-UHFFFAOYSA-N 312.847 3.841 0 40 DHAB Cc1ncc(CNC2(c3ccc(Cl)cc3Cl)CC2)cn1 12361948 KOLAIUXNGJDAKN-UHFFFAOYSA-N 308.212 3.871 0 40 DHAB Cc1nnc(NC(=O)c2ccsc2-n2c(C)ccc2C)s1 12567084 QBLPQAWLGMYRHA-UHFFFAOYSA-N 318.427 3.568 0 40 DHAB Fc1cccc(F)c1C1=NN=C(NCc2ccccc2)SC1 12823149 DQVULLOFDWITQZ-UHFFFAOYSA-N 317.364 3.562 0 40 DHAB COc1ccccc1[C@@H]1C[C@H](c2ccc(F)cc2)Nc2ncnn21 13127539 NHQDZHCDOHTKCQ-CVEARBPZSA-N 324.359 3.572 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)cc1 13495469 IURXLHJVURHKBG-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB CC(C)c1nnc2sc(-c3ccc(Cl)nc3Cl)nn12 13692889 SJIKNKQOWISJOO-UHFFFAOYSA-N 314.201 3.678 0 40 DHAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(Cl)nn1 15021727 YUGWLPWVAXTKRX-CQSZACIVSA-N 317.776 3.604 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1Cc2ccccc2O1 15580579 WZLUCGMVYUTMIF-CQSZACIVSA-N 307.271 3.648 0 40 DHAB Cc1cccc2cc3c(nc12)N(C(=O)COc1ccccc1)CC3 15842028 PGDANTVOTXZOSX-UHFFFAOYSA-N 318.376 3.511 0 40 DHAB CCSc1nc(SC)nc2sc3c(c12)CCN(C)C3 20394051 MNNOFWLPMVDLBZ-UHFFFAOYSA-N 311.501 3.513 0 40 DHAB COc1cccc(OC)c1C(=O)N[C@@H]1CCCc2ccccc21 20459384 ODWJGMLBLKIOBR-OAHLLOKOSA-N 311.381 3.511 0 40 DHAB O=C(NC1CC1)c1ccc(CN2CCCc3ccccc32)cc1 20483466 JZFJMEDSSYLWHG-UHFFFAOYSA-N 306.409 3.532 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C)ccc2C)c1 24040247 PGUWLKJLILNPDK-UHFFFAOYSA-N 317.772 3.996 0 40 DHAB CC[C@H](C)C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28305944 VLKPSEAQWQCRTR-JTQLQIEISA-N 309.772 3.709 0 40 DHAB CN(CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCc2ccccc21 29483169 WWRKUHFXODCYFX-QGZVFWFLSA-N 314.816 3.898 0 40 DHAB Cn1ccnc1[C@H](NCc1ccccc1F)c1ccc(F)cc1 30644472 XHBUUXKIUVTYCU-QGZVFWFLSA-N 313.351 3.578 0 40 DHAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)no1 32922762 YEZHKJAPODIYIK-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB O=C(CCOc1ccccc1F)Nc1cccc2cnccc12 32980054 WWJBTHQQUISPCA-UHFFFAOYSA-N 310.328 3.782 0 40 DHAB NC[C@H](CCO[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 34625813 SGVWGQRMFAWWKV-WFASDCNBSA-N 318.244 3.969 0 40 DHAB Cc1nn(C)cc1-c1cc(C(F)F)nc(N2CCCCCC2)n1 36618663 UOAZSSYDLALDBK-UHFFFAOYSA-N 321.375 3.504 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 36635510 CQOITYWCYKYJLO-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB O=C(Cc1cccc2cccnc12)NCC1(c2ccccc2)CC1 40047011 GNZGADDTRKDCBP-UHFFFAOYSA-N 316.404 3.625 0 40 DHAB C[C@H](c1nc2ccccc2s1)N(C)Cc1nnsc1Cl 40466280 OFAKUWBKLVASEQ-MRVPVSSYSA-N 324.862 3.994 0 40 DHAB O=C(NCc1ccco1)Nc1ccc(F)cc1Br 48452868 LLRIASQKCRJBQU-UHFFFAOYSA-N 313.126 3.503 0 40 DHAB Cc1ccc(NC(=S)NCCCOC2CCCC2)c(C)c1 57815706 ZYMTUORHSRHVIS-UHFFFAOYSA-N 306.475 3.939 0 40 DHAB CC[C@H](c1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 58264781 BYOJSBDOYHGNOB-QGZVFWFLSA-N 307.397 3.506 0 40 DHAB O=C(C1=Cc2ccccc2OC1)N1CCCc2ccc(F)cc21 58368789 SNPRHPKIABEUSL-UHFFFAOYSA-N 309.340 3.581 0 40 DHAB CCOc1ccc(NC(=O)N2CCCC2)c(C(F)(F)F)c1 64564183 ZMBWTGNQVKMJDI-UHFFFAOYSA-N 302.296 3.732 0 40 DHAB COc1ccccc1C(=O)NCCCO[C@H](C)c1ccccc1 71838269 GBICIKICXGALAL-OAHLLOKOSA-N 313.397 3.593 0 40 DHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)cn1 72232447 KJHRCVSVXHIUHC-AWEZNQCLSA-N 301.415 3.522 0 40 DHAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)CCC(=O)N2C)cc1 72239411 QQWRVHGCQRAGPU-HKUYNNGSSA-N 322.408 3.543 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)sc1C 72297471 KPPXFJQYPNTDOB-GJZGRUSLSA-N 304.459 3.822 0 40 DHAB CCn1ncc2c1CCC[C@H]2NCc1ccc(OC)c(Cl)c1 72298496 WANCGBNQFXOJNV-OAHLLOKOSA-N 319.836 3.732 0 40 DHAB Clc1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)nc1 78658626 QRVZSOADMGKNGU-AWEZNQCLSA-N 316.788 3.848 0 40 DHAB Cc1ncsc1C(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F 84065585 SYEJSVQTEMKSFH-LBPRGKRZSA-N 314.332 3.827 0 40 DHAB Cc1nc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cs1 84290996 NARBDNNZSXHPIJ-GFCCVEGCSA-N 312.442 3.796 0 40 DHAB COCc1c(Cl)cccc1NC(=O)CSc1ccncc1 89420300 OAXWRYPJRXTKCB-UHFFFAOYSA-N 322.817 3.612 0 40 DHAB Cc1cc(C(=O)CSc2nncs2)c(Cl)cc1F 89570417 RNTNGFWRVPNNOT-UHFFFAOYSA-N 302.783 3.614 0 40 DHAB CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2CCOC2)c(C)c1 89942337 JWRSQZPRBAKZEO-STQMWFEESA-N 308.447 3.796 0 40 DHAB CS[C@H](C)CN[C@@H](C)c1ccc(F)c(Br)c1 90726015 OEXZSQPHTPQBBX-BDAKNGLRSA-N 306.244 3.990 0 40 DHAB C[C@@H](Cc1ccsc1)N(C)Cc1ccc([S@](C)=O)cc1 93705847 QXRXJSRWRGQYQC-RNODOKPDSA-N 307.484 3.549 0 40 DHAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cccc2cc[nH]c12 95430461 MYVLRLRPYZTIFH-ZDUSSCGKSA-N 308.381 3.577 0 40 DHAB Cc1nc(C(C)C)c(-c2nn3c(C(C)C)nnc3s2)s1 95475079 SILFKEMMOLRKLU-UHFFFAOYSA-N 307.448 3.865 0 40 DHAB CCOC(=O)[C@@H]1c2ccc(F)cc2CCN1c1ccc(F)cc1 95743871 BWJONAFBICQYPE-KRWDZBQOSA-N 317.335 3.632 0 40 DHAB CCS[C@H]1CC[C@H](N(C)C[C@H](O)c2ccc(Cl)cc2)C1 95983581 YFYKQIQQWSWSKV-JYJNAYRXSA-N 313.894 3.979 0 40 DHAB c1ccc(CN2CCC[C@@]3(CCCN3Cc3cccnc3)C2)cc1 96214658 PAGPTAITAJIMDN-OAQYLSRUSA-N 321.468 3.712 0 40 DHAB COc1ccc(C(C)=O)cc1CC(=O)O[C@H]1CCC[C@H](C)C1 98071020 BDTVYZAXILILRO-LRDDRELGSA-N 304.386 3.562 0 40 DHAB COc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1 100530356 NGRFJSDLZJUVAK-UHFFFAOYSA-N 324.361 3.803 0 40 DHAB COc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(C)cc23)c1 100891109 LRUQNFKASIRQIR-APWZRJJASA-N 324.380 3.773 0 40 DHAB CCOc1ccc(C(=O)CCN2CC[C@H]3CC[C@@H](C3)C2)cc1 104069631 OUMMMKBAYVZVQE-CVEARBPZSA-N 301.430 3.780 0 40 DHAB CCn1cc(N[C@H]2CCc3cc(Br)ccc3C2)cn1 104366136 WQIGOYCSMSGGTP-AWEZNQCLSA-N 320.234 3.635 0 40 DHAB CC1=CCC[C@H](C)[C@@H]1CNC1CCN(C(=O)CC(C)C)CC1 191096353 QJYXBDCTBAXQDV-FUHWJXTLSA-N 306.494 3.606 0 40 DHAB Cc1ccc(C)c(CC(=O)NCCOc2cc(C)ccc2C)c1 224022721 HEOOMKJNFMYLKL-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB CCCCCNC(=O)c1ccc(OCC)c(COC(C)C)c1 224720755 NPEFHLWWBDVBBH-UHFFFAOYSA-N 307.434 3.930 0 40 DHAB COc1cccc([C@@H](O)c2ccc3c(c2)OCC(C)(C)CO3)c1 225357019 NOROUHZBORNQLP-GOSISDBHSA-N 314.381 3.574 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2)c1C 225458348 KDCPCVRIKDKZMZ-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB Cc1cncc([C@H]2CCCN2C(=O)c2cc3ccccc3s2)n1 257202726 ANBSQHULRGGSTG-OAHLLOKOSA-N 323.421 3.977 0 40 DHAB CCc1ccc(CC(=O)NCCCN2CCCC[C@H]2CC)cc1 260772887 XFSUCQKPMOKPSZ-LJQANCHMSA-N 316.489 3.562 0 40 DHAB CCn1cnc2c(NCc3ccc(Cl)cc3Cl)ncnc21 520307142 ZQZZJQXNADXTIT-UHFFFAOYSA-N 322.199 3.765 0 40 DHAB Cc1cc(CO)c(OCc2ccccc2)cc1Br 642814616 NBAPUVLWDNQVGB-UHFFFAOYSA-N 307.187 3.829 0 40 DHAB FC(F)(F)COc1ccnc2c(Br)cccc12 685937876 YEVXZNFICKFXIX-UHFFFAOYSA-N 306.081 3.938 0 40 DHAB CC1(C)CC(NC(=O)c2scc3c2CCCC3)CC(C)(C)N1 140798 DJSDRXGYOIQOJG-UHFFFAOYSA-N 320.502 3.666 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(F)c2)c(C)c1 183412 CBPNHFNFJDOCHC-UHFFFAOYSA-N 311.353 3.691 0 40 DHAB Cc1sc(N)c(C(=O)c2ccc(Br)cc2)c1C 411219 YDGAMYOKINBSJC-UHFFFAOYSA-N 310.216 3.941 0 40 DHAB O=C(O)c1cccc(CSc2nnc(-c3ccccc3)o2)c1 574215 RREYBSIZLLOJKO-UHFFFAOYSA-N 312.350 3.727 0 40 DHAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 1702474 UQCDPZIXWSDDRU-UHFFFAOYSA-N 309.196 3.993 0 40 DHAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccs1 2721935 GVAUKJXBORNELK-UHFFFAOYSA-N 314.366 3.658 0 40 DHAB O=C(NCc1cccs1)c1ccc(OC(F)(F)F)cc1 3372594 RLHJTZSZYCYGNW-UHFFFAOYSA-N 301.289 3.577 0 40 DHAB CSc1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1 3433562 FNVFENJUIDHOKG-UHFFFAOYSA-N 300.383 3.619 0 40 DHAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1cccs1 3525012 XHXFKYWYUGOGLY-UHFFFAOYSA-N 311.406 3.842 0 40 DHAB COC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc23)C1 5510719 JJNYLKRTIPSBCU-GOSISDBHSA-N 319.364 3.648 0 40 DHAB CC(C)CCNc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 7844012 HFBCCTYEKIPTOJ-UHFFFAOYSA-N 317.414 3.599 0 40 DHAB Cc1n[nH]c(C)c1CC(=O)Nc1ccc(-c2ccccc2)cc1 8185369 FDSIQBFSNYGEAV-UHFFFAOYSA-N 305.381 3.875 0 40 DHAB Cc1ccc([C@H](NC(=O)c2ccccn2)c2ccccc2)cc1 9049865 QPSXIYOLWSPKLA-LJQANCHMSA-N 302.377 3.909 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(C)c(F)c2)cc1 9155166 XUKYYFCTQZPIAV-GFCCVEGCSA-N 314.360 3.776 0 40 DHAB CC(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2C)c1 9314586 BGCPTZVGNVVEBR-UHFFFAOYSA-N 302.761 3.859 0 40 DHAB COc1ccc(C)cc1NC(=O)CN(C)[C@H](C)c1ccccc1 9387753 VXGVWCWVJNWLHN-OAHLLOKOSA-N 312.413 3.635 0 40 DHAB N=c1c2ccccc2nc(S)n1CCc1c[nH]c2ccccc12 9418405 ZSZZNJRKOHIGPQ-UHFFFAOYSA-N 320.421 3.528 0 40 DHAB N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cccc(F)c1 16399167 KSCNZWYNQPYFHA-UHFFFAOYSA-N 316.719 3.957 0 40 DHAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCc4ccccc4C3)c2c1 20744465 NTTHKKPISQKWFX-IBGZPJMESA-N 320.392 3.660 0 40 DHAB Cc1[nH]c(SC[C@H]2CCCCO2)nc1Cc1ccccc1 21329496 NKEGVWIMJPEXSJ-OAHLLOKOSA-N 302.443 3.970 0 40 DHAB C[C@@H](NC(=O)NCc1ccc(Cl)cc1Cl)c1ccncc1 26187597 RNRNNMGEDPFBFG-SNVBAGLBSA-N 324.211 3.949 0 40 DHAB c1ccc(-c2nc(NC[C@@H]3CCCO3)nc3ccccc23)cc1 26757279 JUIAATAHUVKSFX-HNNXBMFYSA-N 305.381 3.888 0 40 DHAB CSc1ccc(C)c(C(=O)N2CCn3c2nc2ccccc23)c1 30662044 OIAUNURXHOXWKW-UHFFFAOYSA-N 323.421 3.727 0 40 DHAB Cc1ccc(CN(C)C(=O)c2ccc(CN3CCCC3)cc2)cc1 30847932 ILACWXOZYPBVRU-UHFFFAOYSA-N 322.452 3.863 0 40 DHAB Cc1ccccc1NC(=O)c1ccc(Br)c(N)c1 32200392 KDMOYIFXSSRHJC-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB O=C(Nc1nncs1)c1ccc(-c2ccccc2F)s1 32816418 PYVSENGEPJCHKO-UHFFFAOYSA-N 305.359 3.658 0 40 DHAB CCc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1 32930917 BRZBPIWGAJUSRR-UHFFFAOYSA-N 305.381 3.616 0 40 DHAB Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)o2)c1 33782121 UKHBRMUWAQZMAK-UHFFFAOYSA-N 305.403 3.541 0 40 DHAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1 34929503 OBHGLEDGKAWUTM-HNNXBMFYSA-N 318.417 3.617 0 40 DHAB O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc(F)c1 36365921 QTVHEROFWQFVLG-UHFFFAOYSA-N 323.249 3.973 0 40 DHAB CCCN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O 40160494 FWMVPSZYTXDQFO-UHFFFAOYSA-N 321.376 3.845 0 40 DHAB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cc[n+]([O-])cc2)cc1 46674956 XUYDLILOOJABGS-SFHVURJKSA-N 324.424 3.595 0 40 DHAB COCCCCNC(=O)Nc1ccccc1OC1CCCC1 47600575 HEUVHYKPTDWSON-UHFFFAOYSA-N 306.406 3.556 0 40 DHAB CCCN(CC1CC1)C(=O)c1ccc(OC)c(OC(F)F)c1 47862002 OPRMQRNVSMDHGU-UHFFFAOYSA-N 313.344 3.559 0 40 DHAB CCCOc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1 51784974 SFPBNUODMHVPBK-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB Cc1ccc(CSCC(=O)NCCc2ccc(F)cc2)cc1 58098619 RKSHSAZCEJIQJQ-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 67511890 YYYILMOGIMNMDU-DLBZAZTESA-N 318.376 3.936 0 40 DHAB OC1=Nc2ccsc2[C@H](c2ccc3c(c2)OCO3)SC1 71281533 AIBUDOXMQZOGAR-ZDUSSCGKSA-N 305.380 3.901 0 40 DHAB CCc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)s1 74293212 HTBXJWSLCBPAQU-HNNXBMFYSA-N 301.411 3.524 0 40 DHAB CCOCCOc1c(Cl)cccc1NCc1nccn1CC 75107690 FENSDLFICNSDJN-UHFFFAOYSA-N 323.824 3.584 0 40 DHAB CN(Cc1ccccc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 83864234 WGGFNTFYQNIIHQ-FQEVSTJZSA-N 322.452 3.872 0 40 DHAB CN(Cc1cscn1)C(=O)c1ccc2ccc(Cl)cc2n1 84086581 DWAXURPZQLAIKU-UHFFFAOYSA-N 317.801 3.617 0 40 DHAB CC(C)c1nc(CC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cs1 84630976 AECJDWVJCAUESS-LSDHHAIUSA-N 318.417 3.620 0 40 DHAB CCN(CCC(F)(F)F)C(=O)c1oc2c(c1C)C(=O)CCC2 84774726 PBHLQIKOYSPKFZ-UHFFFAOYSA-N 317.307 3.522 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCCCCCC3)c12 89567411 KSRQLFQFDYTXMC-UHFFFAOYSA-N 313.401 3.815 0 40 DHAB C[C@@H](NC1C[C@@H]2CCC[C@H](C1)N2C)c1cc(F)c(F)c(F)c1 95968640 JYNUQIGSNKDOBC-NDNKKMJESA-N 312.379 3.770 0 40 DHAB CO[C@@H](CNC(=O)c1cc2ccccc2o1)c1cccc(F)c1 96388021 VOMOXXFQYDBDOO-KRWDZBQOSA-N 313.328 3.689 0 40 DHAB CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1cccc(F)c1 96388862 YTQSQGNNOJOFKL-CQSZACIVSA-N 324.302 3.613 0 40 DHAB CC[C@](C)(NC(=O)c1ccccc1)c1nc(C)c(C(C)=O)s1 96459116 QNSKVDVLASJIQJ-KRWDZBQOSA-N 316.426 3.709 0 40 DHAB COc1ccc(O[C@@H](Cc2cccc(Cl)c2C)C(=O)O)cc1 225071520 XANOGVNWJLRVAU-INIZCTEOSA-N 320.772 3.732 0 40 DHAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/C=C/c1ccco1 409088292 WPUZREFIXQXWJL-FICCRWLQSA-N 316.426 3.568 0 40 DHAB CC[C@@H](C(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 575358884 WMPKJTWARARDJX-LJQANCHMSA-N 309.409 3.900 0 40 DHAB O=C(CSC[C@@H]1CCCCO1)Nc1nsc2ccccc12 585125288 MPTVCRRMORTKLG-NSHDSACASA-N 322.455 3.537 0 40 DHAB CC(C)(C)OC(=O)NCCc1ccc(OCC(F)(F)F)cc1 585656359 ZLJGXLWREKZZNB-UHFFFAOYSA-N 319.323 3.695 0 40 DHAB Cc1ccc(C)c(CSC2=NN3CCCC(=O)N=C3S2)c1 425831 RLSIWSNVQJUNKR-UHFFFAOYSA-N 319.455 3.533 0 40 DHAB CCN(CC)C(=S)SCCSC(=S)N(CC)CC 1732690 UARYQTLLIJOADW-UHFFFAOYSA-N 324.606 3.706 0 40 DHAB Fc1ccc([C@@H]2C[C@@H](C(F)(F)Cl)n3nccc3N2)cc1 2766621 NRRGYTCDQCVTCU-QWRGUYRKSA-N 301.699 3.952 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)NC1CCCCC1 3328781 NJBUYYXFZJPOGS-UHFFFAOYSA-N 320.780 3.844 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1F 3385481 BXHFYIBGDUUGJM-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB COc1ccc(CCC(=O)Nc2cccc(SC)c2)cc1 3548741 DDYHHGRDWDETNM-UHFFFAOYSA-N 301.411 3.988 0 40 DHAB Cc1ccc(-n2nc3c(c2NC(=O)C2CC2)CSC3)cc1C 4224449 IZNHBXRUBBSMKK-UHFFFAOYSA-N 313.426 3.584 0 40 DHAB COc1nc2c(C)cccc2cc1-c1noc(-c2ccncc2)n1 4295376 AZNMSZGGYDFELM-UHFFFAOYSA-N 318.336 3.664 0 40 DHAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)c1ccccc1C(=O)O 4537816 JQPMUVLMMAFMKZ-LIXBPZJASA-N 302.370 3.756 0 40 DHAB in-vitro Cc1occc1-c1nnc2sc(CCCc3ccccc3)nn12 4938986 MRFWVGGICODKQF-UHFFFAOYSA-N 324.409 3.930 0 40 DHAB COc1ccc([C@H](CCC(C)C)CCN2C(=O)CCC2=O)cc1 5500322 OIVGETYHRFSPPW-MRXNPFEDSA-N 317.429 3.754 0 40 DHAB CCn1nnc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21 6652896 IAKUIPWIRCREIF-UHFFFAOYSA-N 314.776 3.665 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 7218016 BIUOFYISKNTURG-SNVBAGLBSA-N 313.781 3.519 0 40 DHAB COCCNC(=S)N[C@H](C)c1ccc(-c2ccccc2)cc1 7981213 BSENMYGAAXIFTP-CQSZACIVSA-N 314.454 3.525 0 40 DHAB O=c1[nH]c2c(s1)[C@@H](c1ccco1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 7991277 PGOHYRVPWXTGJJ-HINXJTCJSA-N 305.424 3.682 0 40 DHAB O=C(Nc1nccs1)c1occc1COc1ccccc1 8734245 OKKSLVIZIXAMRU-UHFFFAOYSA-N 300.339 3.567 0 40 DHAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1nc2ccccc2[nH]1 9378189 UUNYKKUIUSZNDV-JTQLQIEISA-N 322.393 3.664 0 40 DHAB CSc1ccccc1C(=O)NCCOc1ccc(C)cc1C 9888448 IKPJJISVYGYSJF-UHFFFAOYSA-N 315.438 3.834 0 40 DHAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ncn1 12016749 VRFIYKBJUVJKTD-JTQLQIEISA-N 307.806 3.558 0 40 DHAB Cc1cc([C@@H]2CCCCCN2C(=O)c2cccc(F)c2)on1 12133851 KWUJEXISQOLWHX-HNNXBMFYSA-N 302.349 3.880 0 40 DHAB O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12221911 VENRGQBLEHEOOB-QGZVFWFLSA-N 323.371 3.608 0 40 DHAB Cc1nc(S[C@H](C)C(=O)NC(C)C)n(C2CCCC2)c1C 12630026 MAZCANRWVOWSJK-CYBMUJFWSA-N 309.479 3.620 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H]2CCSc3ccccc32)cc1 12891607 XOPMXDSYTJKIDO-MRXNPFEDSA-N 313.422 3.727 0 40 DHAB CN(CC(=O)N(C)c1ccccc1)Cc1ccc2ccccc2c1 12916179 XKVJBKZKHYFBEJ-UHFFFAOYSA-N 318.420 3.935 0 40 DHAB O=C(CNc1cc(F)cc(F)c1)N1CCC[C@@H]1c1cccs1 14017885 ZMYYQSYMNHABNC-CQSZACIVSA-N 322.380 3.802 0 40 DHAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(F)c1 15629845 XJFPEURTIWQOFR-UHFFFAOYSA-N 309.344 3.583 0 40 DHAB O=S(=O)(NCc1cccs1)c1ccc(Cl)cc1Cl 16780660 WMLNOTKEACHRQC-UHFFFAOYSA-N 322.238 3.533 0 40 DHAB Cc1nc2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc2[nH]1 16975575 YSFFTOFTCQBCTH-UHFFFAOYSA-N 322.151 3.938 0 40 DHAB CCOc1cccc(CNC(=O)CCCOc2ccccc2)c1 20451605 SXJGBMJPFQGZTC-UHFFFAOYSA-N 313.397 3.561 0 40 DHAB O=C(COc1ccc2ccccc2c1)NCCc1ccccc1F 23149613 OLQAIMQFEQUOQF-UHFFFAOYSA-N 323.367 3.717 0 40 DHAB COc1cccc2c1N(C(=O)[C@@]1(C)CC1(Cl)Cl)CCC2 32827417 RAFRQNBTJQVADX-CQSZACIVSA-N 314.212 3.558 0 40 DHAB O=C(Cn1ccc2ccccc21)Nc1nc(-c2ccco2)cs1 38488812 NTJATHDHXBDNSG-UHFFFAOYSA-N 323.377 3.997 0 40 DHAB COC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 38490459 XXNAFEXUDREZLK-UHFFFAOYSA-N 323.436 3.846 0 40 DHAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2F)cc1 38849267 CUKMHCMOEZDBTK-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB COc1ncccc1NC(=O)N(C)[C@@H](C)c1ccc(C)s1 47549194 KGJGTDUGAWBDQW-NSHDSACASA-N 305.403 3.685 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 48273966 DUAXXSFURMFPNA-IRXDYDNUSA-N 310.441 3.933 0 40 DHAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)COc1ccccc1 48364176 SVXVFIFCYQNFAB-OAHLLOKOSA-N 313.397 3.730 0 40 DHAB COc1cccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)n[nH]2)c1 51315574 RKNIWKCXUHHVNW-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1 51354271 WPSBMRCBSIEDOI-UHFFFAOYSA-N 314.341 3.516 0 40 DHAB CCCc1nc(NC2CCCCC2)c2c(n1)c(C)nn2CC 57355837 FPQGALKKXPUBAS-UHFFFAOYSA-N 301.438 3.852 0 40 DHAB Cc1cc(Cl)ccc1S(=O)(=O)N(C(C)C)C1CCCC1 58415106 CEJNSWCGNGKJSD-UHFFFAOYSA-N 315.866 3.990 0 40 DHAB Cc1cc(NC(=O)COc2c(C)cccc2C)nc(C(C)C)n1 63441007 LJBKBGPDFXITGZ-UHFFFAOYSA-N 313.401 3.543 0 40 DHAB CC1(C(=O)NCC(c2ccccc2)c2ccccc2)CCOCC1 65595998 GDGLAVOSIMNQMX-UHFFFAOYSA-N 323.436 3.751 0 40 DHAB O=C(Nc1ccc2oc(=O)ccc2c1)N1CCCCCCC1 65751730 KXVQMUQHASOHES-UHFFFAOYSA-N 300.358 3.591 0 40 DHAB O=C(Oc1ccc(Cl)cc1C(=O)O)c1ccccc1Cl 66143362 ALFJMBLJVLSXAS-UHFFFAOYSA-N 311.120 3.911 0 40 DHAB CN(C(=O)CSc1nc2cc(Cl)ccc2s1)C1CC1 66408802 AACRORZNZRZERF-UHFFFAOYSA-N 312.847 3.663 0 40 DHAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccnn1C(C)C 69532680 DGUXSFTUXBFVBV-UHFFFAOYSA-N 306.435 3.779 0 40 DHAB CC[C@@H](C)[C@H](C)NC(=O)Cc1nc(-c2ccsc2)oc1C 71862877 IVHBKWBGKOECSX-MNOVXSKESA-N 306.431 3.805 0 40 DHAB Cc1nnc([C@H](C)Nc2ccc(CCN3CCCCC3)cc2)o1 71902554 SZEQQESBCVGQLX-AWEZNQCLSA-N 314.433 3.580 0 40 DHAB CC(C)[C@@H](Sc1cccs1)C(=O)NCc1cccnc1 71909992 NCBJQNGPEVITEP-CQSZACIVSA-N 306.456 3.576 0 40 DHAB Cc1ccc(SC[C@H]2CSc3c4ncnc-4ncn32)cc1 72414673 VDGUIMHGKNIOQI-NSHDSACASA-N 314.439 3.525 0 40 DHAB CCCNc1nnc(SCc2ncc(C)c(OC)c2C)s1 78709158 WZGKUAIKXWOLDN-UHFFFAOYSA-N 324.475 3.673 0 40 DHAB O=C(Cc1coc(-c2ccccc2)n1)N[C@@H]1CCCc2occc21 84564700 RURWNFCCNFRRHO-MRXNPFEDSA-N 322.364 3.671 0 40 DHAB C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCCc1ccccc1F 95455499 OEFKDZZTXCQPOH-UONOGXRCSA-N 324.440 3.650 0 40 DHAB CC(C)Cc1sc(Cl)nc1C(=O)Nc1nccs1 96231124 XHDDORGMIBJNCA-UHFFFAOYSA-N 301.824 3.704 0 40 DHAB CS[C@@H]1CCC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 96409381 NJBUSDVSTCTTFU-NXEZZACHSA-N 301.814 3.883 0 40 DHAB CSCc1cccc(NC(=O)N[C@H](C)C2CCOCC2)c1C 97016032 XDJQMSXXOJPWDC-CYBMUJFWSA-N 322.474 3.795 0 40 DHAB C=Cc1c(Br)cccc1I 97436588 PWZNTAUGVILSEL-UHFFFAOYSA-N 308.944 3.697 0 40 DHAB COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 123014003 KYDNIBIRNWKBDY-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2ccccc2C1 216244447 VWTYOGDHIYAJLX-SFHVURJKSA-N 313.372 3.568 0 40 DHAB C[C@H](NC(=O)c1ccc2c(c1)nc(Cl)n2C)c1ccccc1 222543134 UIHQNQJUCSBDRZ-NSHDSACASA-N 313.788 3.718 0 40 DHAB O=C(NCc1ccc(Oc2nccs2)cc1)[C@H]1CC=CCC1 225647286 AOYXMSFRTLCLQZ-AWEZNQCLSA-N 314.410 3.908 0 40 DHAB O=C(NCc1ccc(-c2ccco2)nc1)c1ccc(F)c(F)c1 225751087 IVROCTJMDCDNDD-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB COc1cccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)c1 408531556 UUSBJSZXACMXIV-UHFFFAOYSA-N 320.348 3.680 0 40 DHAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccccc1 409373693 ZBKZKCYXUFPDHL-UHFFFAOYSA-N 318.376 3.873 0 40 DHAB CC(C)c1nc2ccc(NC(=O)CCCn3cccc3)cc2[nH]1 524735514 HCJJXFUXYJBIAT-UHFFFAOYSA-N 310.401 3.907 0 40 DHAB Cc1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 63533 TXKMCJWWZWGZPK-UHFFFAOYSA-N 304.802 3.775 0 40 DHAB CCOC(=O)c1cn(-c2ccc(OC)cc2)nc1-c1ccccc1 348013 FEQKIRHNTBGQKW-UHFFFAOYSA-N 322.364 3.725 0 40 DHAB CC(C)Oc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 557652 GQNIQGOXJUSACQ-UHFFFAOYSA-N 323.348 3.833 0 40 DHAB Cc1cc(C)c2c(CC(=O)NCCc3ccccc3)coc2c1 1105715 LRSDKYVUJVPCKD-UHFFFAOYSA-N 307.393 3.951 0 40 DHAB COC(=O)c1cccc(F)c1C(=O)c1cccc2ccccc12 1689990 ZYMDKJPWADVWPM-UHFFFAOYSA-N 308.308 3.997 0 40 DHAB CCN(CC)CCCNC(=O)C(c1ccccc1)c1ccccc1 1848463 KYNMLOIKAXXFMV-UHFFFAOYSA-N 324.468 3.667 0 40 DHAB COc1ccccc1NC(=O)COc1ccc2ccccc2c1 2051895 DAGQVWSESBLJTA-UHFFFAOYSA-N 307.349 3.866 0 40 DHAB CC[C@H](C)NC(=O)COc1ccc(OCc2ccccc2)cc1 2632632 UHLKIOAAPJUVTI-HNNXBMFYSA-N 313.397 3.559 0 40 DHAB CCC[C@H](C)NC[C@H](O)COc1ccc(OC)cc1C(C)(C)C 3434371 VHMWXAMSFWEUEL-GJZGRUSLSA-N 323.477 3.511 0 40 DHAB Cc1ccc(C)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 3571397 BFPXEKQBNJUGPJ-UHFFFAOYSA-N 307.349 3.824 0 40 DHAB CCOc1ccc(OCCC(=O)Nc2cc(F)ccc2F)cc1 3611416 NIGHETWAPVOSKK-UHFFFAOYSA-N 321.323 3.771 0 40 DHAB CCCCNCC[C@]1(c2ccccc2)C(=O)Oc2ccccc21 4683397 AODFLRSUTRNJRQ-HXUWFJFHSA-N 309.409 3.672 0 40 DHAB C[C@H](CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 4901634 QAFLOFGHKVZAQQ-MRXNPFEDSA-N 324.424 3.656 0 40 DHAB Cc1cc(NC(=O)Oc2ccccc2)ccc1N1CCCC1=O 5440149 SEBRJTBKOMSDEJ-UHFFFAOYSA-N 310.353 3.733 0 40 DHAB c1ccc2c(c1)Cc1c-2n[nH]c1-c1[nH]nc2c1Cc1ccccc1-2 5479252 TZMGBRFFKIAYEK-UHFFFAOYSA-N 310.360 3.942 0 40 DHAB CCN(CC)C[C@@H](OC(=O)c1ccc(N)cc1)c1ccccc1 5840076 PEBXPUDNDKRUQN-GOSISDBHSA-N 312.413 3.509 0 40 DHAB Cc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)s1 6727380 ZNMGWIUOIBKCTG-ZDUSSCGKSA-N 319.455 3.535 0 40 DHAB Cc1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)s1 7192499 AMSUZKDKTWHCRJ-VIFPVBQESA-N 304.440 3.699 0 40 DHAB O=C(NC1CC1)c1cn(Cc2ccccc2)nc1-c1cccs1 8077205 UKAKHTBSDARPRL-UHFFFAOYSA-N 323.421 3.552 0 40 DHAB Cc1cccn2cc(CSc3ncnc4sccc34)nc12 8425353 RSGKDIGTDGQGPP-UHFFFAOYSA-N 312.423 3.940 0 40 DHAB O=C(c1ccccc1)c1ccc(OCC(=O)c2ccc[nH]2)cc1 8943082 LYMMTUBSHWAVEC-UHFFFAOYSA-N 305.333 3.507 0 40 DHAB COC(=O)c1cccc(NC(=O)Cc2ccc(C)c(C)c2)c1C 10009811 FDSAUWFUFLKCHW-UHFFFAOYSA-N 311.381 3.580 0 40 DHAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 12674143 SUJAQCINCVJIIU-FZKQIMNGSA-N 312.388 3.894 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC1=NN=C(c2ccc(F)c(F)c2)CS1 12797610 ZXNLMFGPQIXCCO-YGRLFVJLSA-N 323.412 3.940 0 40 DHAB O=c1[nH]c(Cc2cccs2)nc2c(Cl)cc(Cl)cc12 12880092 UZEZUBVUULRLES-UHFFFAOYSA-N 311.193 3.882 0 40 DHAB COc1ccccc1OCCC(=O)Nc1cccc2ncccc12 12934045 BLBRRLXRUHWDKE-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB Cn1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 13003699 UVDPPZOBWSYUNK-QGZVFWFLSA-N 323.421 3.892 0 40 DHAB CC(C)n1nccc1C(=O)NC1(c2ccccc2F)CCCC1 13996073 XAXRLVQXAOCVMX-UHFFFAOYSA-N 315.392 3.802 0 40 DHAB COc1cccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1 14239511 FRNHBVATBBVMBT-UHFFFAOYSA-N 324.361 3.920 0 40 DHAB Cc1cc(F)ccc1NC(=S)Nc1ccc2c(c1)OCCO2 17450709 SXGOJIXMDAQFGW-UHFFFAOYSA-N 318.373 3.714 0 40 DHAB COc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 20538188 KAJOFBBOIPKFNT-NSHDSACASA-N 318.348 3.726 0 40 DHAB O=C(CSc1ccccc1)NCCOc1ccc(Cl)cc1 22655700 FYYSZDXKGGHBOR-UHFFFAOYSA-N 321.829 3.627 0 40 DHAB CN(C)c1ccc(CCCNC(=O)/C=C/c2cccs2)cc1 36395179 ZZWUBDGQUATMQD-VAWYXSNFSA-N 314.454 3.576 0 40 DHAB Cc1cc(N2CCc3ccccc3C2)ncc1Br 42783507 XWZZHOFOLNZRTH-UHFFFAOYSA-N 303.203 3.715 0 40 DHAB Cc1cc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)n(C)n1 43432494 JAXRNKIRSHZHOY-OAHLLOKOSA-N 318.446 3.843 0 40 DHAB COc1cccc(NC(=O)CCOc2ccc(Cl)cc2)c1 46572362 RRKCKUPJAIRFGH-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB CCOCCCCNC(=O)Nc1ccc(N2CCCCC2)cc1 58213609 MAPQLYUEWXYOJG-UHFFFAOYSA-N 319.449 3.615 0 40 DHAB Cc1cccc(NS(=O)(=O)Cc2ccccc2Cl)c1C 59291683 WBVXSIXHSKQVCO-UHFFFAOYSA-N 309.818 3.899 0 40 DHAB C[C@H](Oc1ccc(C(=O)NCc2ccoc2)cn1)c1ccccc1 65552758 AZUZOCWEXICYAI-AWEZNQCLSA-N 322.364 3.745 0 40 DHAB COc1cc(NC(=S)Nc2ccc(F)c(C)c2)cc(OC)c1 71326116 OMTQQAXTXIJBLC-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CN(CC(C)(C)O)C(=O)Nc1ccc2c(c1)oc1ccccc12 83557707 QOEIGTLBKLTQOL-UHFFFAOYSA-N 312.369 3.821 0 40 DHAB Cc1nc(N2CCCC2)ccc1NC(=O)C1(c2ccccc2)CC1 84028789 VPPIQRXUNYFDOY-UHFFFAOYSA-N 321.424 3.661 0 40 DHAB COC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccc(C)o1 84195179 UQJLSKRVHKUNGC-IUODEOHRSA-N 320.389 3.546 0 40 DHAB CCOc1ccc(-c2nc(-c3ccccc3C)n[nH]2)cc1OC 85384410 MWMAPPPHQPQEHV-UHFFFAOYSA-N 309.369 3.854 0 40 DHAB CC(C)c1cc(CNC(=O)N(C2CC2)[C@H](C)c2ccco2)on1 86398887 LPYHWDOGJVBUKD-GFCCVEGCSA-N 317.389 3.826 0 40 DHAB COc1ccc([C@H](NC(=O)Nc2nc(C)c(C)o2)C2CC2)cc1 89558623 LKOCQWXSSWKOTM-OAHLLOKOSA-N 315.373 3.573 0 40 DHAB C/C=C/CCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 89729785 UCHKJMPOTZRYGG-NNTXTVRGSA-N 308.853 3.633 0 40 DHAB O=C(NCc1ccccn1)[C@H]1C[C@@H]1c1cccc2ccccc12 89873202 MJZPHCHYUDKFQM-MOPGFXCFSA-N 302.377 3.655 0 40 DHAB CCC(=O)N1CC[C@H](NCc2ccc3ccccc3c2)[C@@H](CC)C1 89949002 MYISRYVKJWFWIP-PXNSSMCTSA-N 324.468 3.967 0 40 DHAB CC(C)n1cc(C(=O)NCCc2nccs2)c2ccccc21 95477928 CZUICNLMAPGMFP-UHFFFAOYSA-N 313.426 3.651 0 40 DHAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cnn(C)c2)o1 97114773 KRKRCIQEZCQMBO-SWLSCSKDSA-N 316.405 3.581 0 40 DHAB COc1ccc(F)cc1-c1nc2c([nH]1)c(C)nn2CC(C)C 102575338 SRTCAXZSCSGMAE-UHFFFAOYSA-N 302.353 3.539 0 40 DHAB CC(C)c1noc([C@@H](C)N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1 106831227 LLEYMRLMNXMNQX-FMKPAKJESA-N 315.417 3.716 0 40 DHAB Nc1nnc(-c2ccc(OCc3ccc(Cl)cc3)cc2)o1 216808214 PZMCHQTUHYVTEI-UHFFFAOYSA-N 301.733 3.551 0 40 DHAB O=C(O)c1cc(Cl)c(OCc2ccc(Cl)cc2)cc1O 216933786 SVFKVJAXQAHGRU-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB CCCOc1ccc(C(=O)NCCSc2ccccc2)cc1 218980233 QWGZEMQHWDJMHV-UHFFFAOYSA-N 315.438 3.998 0 40 DHAB Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2)cc1C 223444685 OHISKMJCELQIOC-INIZCTEOSA-N 317.454 3.792 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c(C)c1 224606526 JHTUKECZZFREQT-HNNXBMFYSA-N 315.388 3.569 0 40 DHAB Cc1ccc(N2NC(CC(C)C)(CC(C)C)NC2=S)cc1 225349661 JMIAYSRXTXDDTJ-UHFFFAOYSA-N 305.491 3.983 0 40 DHAB CCc1cc(N)ccc1NC(=O)c1ccc(Br)cc1 226318060 KFVJDPHLZHEDKK-UHFFFAOYSA-N 319.202 3.846 0 40 DHAB S=C(NCCCc1ccccc1)N1CCc2ccccc2C1 242804059 FFPAQRRPCVNXDN-UHFFFAOYSA-N 310.466 3.552 0 40 DHAB CCCn1nccc1-c1ccc(C[C@H]2CCN(C(C)C)C2)cn1 257267051 MFTGGDYXLHGJHC-QGZVFWFLSA-N 312.461 3.628 0 40 DHAB Fc1ccc2c(C3CCN(C[C@H]4CCCOC4)CC3)noc2c1 352029935 YGXBIBNDJDFJLI-CYBMUJFWSA-N 318.392 3.573 0 40 DHAB CC(C)(CNC(=O)NCc1ccc(F)cc1)c1ccsc1 1565520309 MPEVTNYXDNUSIE-UHFFFAOYSA-N 306.406 3.664 0 40 DHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1ccsc1 1775967941 GQHWTVVDDUNWFA-LBPRGKRZSA-N 319.407 3.533 0 40 DHAB COc1cc(SC)ccc1C(=O)N1CCc2ccccc2C1 30863 ORZIOOIMOACKMZ-UHFFFAOYSA-N 313.422 3.616 0 40 DHAB COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 191698 RUXPKYQZKBBXBF-UHFFFAOYSA-N 303.317 3.649 0 40 DHAB COc1ccc(OC)c(NC(=O)c2cccc(OC(F)F)c2)c1 374227 KMGFXDIOHIQPAZ-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB COC(=O)c1cc2ccccc2n1Cc1cnc(Cl)s1 1394830 YOOFAXUULNZLPD-UHFFFAOYSA-N 306.774 3.586 0 40 DHAB Cc1cc(C)n(CCOc2ncc(C(F)(F)F)cc2Cl)n1 1400274 ZJQKVXSKUSXXFQ-UHFFFAOYSA-N 319.714 3.646 0 40 DHAB Cc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)c(C)cc2C)o1 2631478 RHQMVVVICCASRV-BQYQJAHWSA-N 312.365 3.953 0 40 DHAB CC(=O)c1ccc(NC(=S)Nc2cccnc2Cl)cc1 3257758 WXUCMZKJOLOXES-UHFFFAOYSA-N 305.790 3.747 0 40 DHAB COc1ccc2oc(C(=O)NCc3ccccc3F)c(C)c2c1 3284192 GKBYCJOYTMNLRY-UHFFFAOYSA-N 313.328 3.819 0 40 DHAB Cc1noc(C)c1CSCc1nnc(-c2ccc(F)cc2)o1 3417883 JCAFCQQITXKWHR-UHFFFAOYSA-N 319.361 3.914 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 3446470 ALGRLSRCSGWQFA-UHFFFAOYSA-N 311.234 3.698 0 40 DHAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc2ncsc2c1 4276204 XXMCGSGFWQYPIE-UHFFFAOYSA-N 322.349 3.599 0 40 DHAB O=c1[nH]c(Cc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 4649951 RSIGZQTUNHWNOD-UHFFFAOYSA-N 316.813 3.718 0 40 DHAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccccc1Cl 5120599 BISZAKSDMWXECZ-CYBMUJFWSA-N 323.845 3.640 0 40 DHAB CCc1cc(O)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 5575947 AUACNWVJARNGKD-UHFFFAOYSA-N 307.275 3.683 0 40 DHAB O=C(Nc1ccccc1)Nc1ccc2c(c1)N1CCN=C1S2 5616846 PPGAGNMHPJPVJX-UHFFFAOYSA-N 310.382 3.612 0 40 DHAB CCCC[C@@H](CC)CNC(=O)c1ccc(Br)o1 6042942 HJMGFBAUQFTYAP-SNVBAGLBSA-N 302.212 3.988 0 40 DHAB CCN1C(=O)S/C(=C\c2c(C)n(C)c3ccccc23)C1=O 6325680 VTPUMIHTOLZYNT-ZROIWOOFSA-N 300.383 3.543 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CSc2ccccc2F)cc1 6596541 IUCFBABPIUAAKW-UHFFFAOYSA-N 318.373 3.515 0 40 DHAB CC(C)(CO)NCc1ccc(OCc2ccccc2Cl)cc1 6883155 LJTGYIIEUHJGIZ-UHFFFAOYSA-N 319.832 3.780 0 40 DHAB CCOC(=O)c1cccc(NC(=O)CCc2ccccc2F)c1 8097825 ZCKFPSJZKKYLEV-UHFFFAOYSA-N 315.344 3.574 0 40 DHAB CSc1ccc(OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 8750038 MALAOOIOPZHIPU-UHFFFAOYSA-N 317.410 3.818 0 40 DHAB Cc1ccccc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 8944604 NOLSRLBLKVDUEN-HNNXBMFYSA-N 311.381 3.805 0 40 DHAB COc1ccccc1-c1nc2c3ccccc3nc(SC)n2n1 9486045 POJYGTAUSZUQFH-UHFFFAOYSA-N 322.393 3.675 0 40 DHAB O=C(N[C@H]1CCSc2ccccc21)c1n[nH]c2ccccc12 9671527 YHNWJCQWWCMPHH-ZDUSSCGKSA-N 309.394 3.530 0 40 DHAB C[C@@H](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 9750151 TYKWCGYIVVOSCG-AWEZNQCLSA-N 322.408 3.711 0 40 DHAB Cc1cccnc1NC(=O)c1ccc(CN2CCCCC2)cc1 12543234 LFEGELZTUGUPBA-UHFFFAOYSA-N 309.413 3.628 0 40 DHAB Cc1cnc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cn1 12915678 OAVLHJVHJVXEKW-SNVBAGLBSA-N 324.211 3.925 0 40 DHAB CC(=O)Nc1ccc(SCc2ccc3c(c2)OCO3)cc1 14171919 MCYDFRZWEXLQAB-UHFFFAOYSA-N 301.367 3.666 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1ccccc1 14396740 JLITXOQCNGONIM-SFHVURJKSA-N 313.397 3.511 0 40 DHAB COc1ccc2scc(N3C[C@@H](C)C[C@@H](C)C3)c(=O)c2c1 15390597 DLVHUKMWIIOQNP-TXEJJXNPSA-N 303.427 3.752 0 40 DHAB Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C)c(C)c1C 19942938 PQXKVRSCOITFNO-TXEJJXNPSA-N 309.475 3.587 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1OC 20050359 BVGBGQCLSDXWNO-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB Nc1ccc2nc(Cc3ccc(Br)cc3)oc2c1 20423964 RCFBYPYFMUVABV-UHFFFAOYSA-N 303.159 3.763 0 40 DHAB Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 20897316 LIPAOLLLXHMOMR-LBPRGKRZSA-N 316.426 3.594 0 40 DHAB O=C(NCc1ccccc1)c1cccnc1Nc1cccc(F)c1 22071975 CWSPSFXIIOKFTN-UHFFFAOYSA-N 321.355 3.894 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2Cc2c(C)noc2C)c1 27279702 BSDKFRWJDHOBIW-QGZVFWFLSA-N 316.401 3.646 0 40 DHAB CN(CC(=O)Nc1c(F)cccc1F)[C@@H]1CCc2ccccc21 29482681 OHUXKEXGIWPBNG-MRXNPFEDSA-N 316.351 3.523 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(-c3ccc(O)cc3)cc2)o1 32748516 XGDFYPYARDWEFD-UHFFFAOYSA-N 307.349 3.891 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 32776611 KWKIEVJCPHNAJT-HNNXBMFYSA-N 317.410 3.867 0 40 DHAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)no1 33145344 JQDFLFUCPRWMTN-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB CCc1ccc([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1 36623442 JOHHGBUJFGOKJJ-ZDUSSCGKSA-N 313.397 3.757 0 40 DHAB Cc1cc(C)cc(NC(=O)c2ccc(N3CCOC3=O)cc2)c1 40092947 YQKOASXKZZQWMM-UHFFFAOYSA-N 310.353 3.512 0 40 DHAB O=C(CCOc1ccc(F)c(Cl)c1)NCc1cccs1 40106466 WFULUUJJYZNCNL-UHFFFAOYSA-N 313.781 3.626 0 40 DHAB CSCc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)o1 40157409 JPPXVHLMMUQXLH-JTQLQIEISA-N 315.398 3.510 0 40 DHAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(F)cc1F 48204730 QWCNAXNLTQYXKL-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB C[C@@H]1CC[C@@H](C)N1Cc1cnc2c(-c3ccccc3)cnn2c1 67850268 UDUJPTLWWKRZGR-HUUCEWRRSA-N 306.413 3.769 0 40 DHAB CC[C@H](NC(=O)c1cnc(C(C)(C)C)s1)c1ccncc1 72295354 YFIZRFQWXNVEQW-LBPRGKRZSA-N 303.431 3.717 0 40 DHAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nc2ccccc2o1 75132277 DJFNFNUHIMNNOS-HNNXBMFYSA-N 310.401 3.515 0 40 DHAB C[C@@H](NC(=O)[C@@H]1CSCCS1)c1ccc(F)c(Cl)c1 75572782 NINDWQKLVGJXTF-PELKAZGASA-N 319.854 3.505 0 40 DHAB CCc1cc(C)n(Cc2ccc(Br)cc2)c1C(=O)O 78405480 XVYPMDAFYVVTAI-UHFFFAOYSA-N 322.202 3.868 0 40 DHAB Cc1ccc(CNCc2ccc(CO)o2)c(OC2CCCC2)c1 88754629 KJTQKVUPXODCHJ-UHFFFAOYSA-N 315.413 3.692 0 40 DHAB CN(C)C[C@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 95396812 FBIQGFFGJXSQOW-MRXNPFEDSA-N 324.424 3.503 0 40 DHAB Cc1ccc(CNC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)s1 95436848 CBQLUSDHTJVQMO-LBPRGKRZSA-N 318.442 3.535 0 40 DHAB c1ccc(CN(Cc2cc[nH]n2)c2cnc3ccccc3n2)cc1 95443182 LPTDMNQWJAMTCK-UHFFFAOYSA-N 315.380 3.560 0 40 DHAB COc1cc(OC)cc(C(=O)CC2(CC(=O)O)CCCCC2)c1 95634216 BBDPUDNQQUSTPU-UHFFFAOYSA-N 320.385 3.702 0 40 DHAB C[C@@H]1CCOCCN1C(=O)Nc1ccc(OC2CCCC2)cc1 95984731 QXSKZDRKDKLCCL-CQSZACIVSA-N 318.417 3.651 0 40 DHAB CC[C@@H](c1ccccc1)c1nnc(NCc2c(C)noc2C)o1 95992352 GFABBNHHCLSZMQ-AWEZNQCLSA-N 312.373 3.828 0 40 DHAB CCOC(=O)N(C)c1ccc(NCc2cccc3cn[nH]c23)cc1 96482754 ZKQOENNNXZRVRP-UHFFFAOYSA-N 324.384 3.768 0 40 DHAB C[C@H](N[C@@H](C)c1nc(-c2cccs2)no1)c1ccncc1 97370699 YOOJAUVNNRCMJE-QWRGUYRKSA-N 300.387 3.605 0 40 DHAB CCC(C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 100087428 ADOUYSBKSXTAMH-UHFFFAOYSA-N 312.365 3.796 0 40 DHAB CN[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C(C)C)CC1 100178463 UZBZYGMPXCBOKP-CALCHBBNSA-N 304.434 3.564 0 40 DHAB CC[C@@H](NC(=O)c1ccc(OC)c(C)c1)c1ccc(OC)cc1 149118938 UQVOHSLSCUUZBC-QGZVFWFLSA-N 313.397 3.893 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)cc2Cl)c1 191144381 NKWGKDXHZQWAMQ-UHFFFAOYSA-N 317.772 3.996 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)NCCSC1CCCCC1 216237152 DHYWSBZTMSTBLR-OAHLLOKOSA-N 321.486 3.944 0 40 DHAB Cc1ccccc1OCCNC(=O)[C@H](C)Sc1ccccc1 223409740 NAPYICPVXSXQPJ-HNNXBMFYSA-N 315.438 3.671 0 40 DHAB CCC[C@H](C)NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225382620 GDYCGAJCFJNFAN-VIFPVBQESA-N 314.838 3.602 0 40 DHAB CCOc1ccc(NC(=O)CCc2ccc(OC)c(C)c2)cc1 225741339 MBMUBPQIVHTMAW-UHFFFAOYSA-N 313.397 3.974 0 40 DHAB NC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226236012 ADIAWYDETOPRPN-UHFFFAOYSA-N 306.152 3.636 0 40 DHAB CCOc1ccc(NC(=O)c2cccc(OC(C)C)c2)c(N)c1 226349354 ZCPRQDDOVZSSRW-UHFFFAOYSA-N 314.385 3.707 0 40 DHAB C[C@]1(c2nc(-c3ccc4nccnc4c3)no2)C[C@H]2CC[C@H]1C2 528128616 NXCIHCXVNFNEDG-FNFWKMNBSA-N 306.369 3.758 0 40 DHAB Cc1nc2cc(NC(=O)c3ccc(F)c(C)n3)ccc2s1 1889201666 VOQWYXNZTFDMEV-UHFFFAOYSA-N 301.346 3.700 0 40 DHAB Cc1nnc2n1-c1cc(F)ccc1[C@H](c1ccc(F)cc1)CC2 347715 RPSFTORJNMCMSR-HNNXBMFYSA-N 311.335 3.932 0 40 DHAB CC(=O)C(C(C)=O)C(c1ccc(F)cc1)c1ccc(F)cc1 378243 GSMAHVKFQMHTGN-UHFFFAOYSA-N 302.320 3.891 0 40 DHAB CCc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)cc1 527129 YWICXDCTIYFNJX-SJORKVTESA-N 319.412 3.569 0 40 DHAB COc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c(OC)c1 817660 ZCJVPZOCWMEFCK-LJQANCHMSA-N 321.380 3.848 0 40 DHAB CSc1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 2627558 CDWLPDFTPUZBOL-UHFFFAOYSA-N 307.440 3.826 0 40 DHAB COc1ccc(OC(=O)c2cccc(Br)c2)cc1 2837541 RMTHHXJKKBKLSC-UHFFFAOYSA-N 307.143 3.677 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(OC)c(OC)c2)cc1 3255293 UMRVZJJTPPRPFC-UHFFFAOYSA-N 318.398 3.521 0 40 DHAB Cc1ccc(NC(=O)CCc2nc3ccccc3s2)c(O)c1 3374788 NFSCEMOTSHOUBF-UHFFFAOYSA-N 312.394 3.882 0 40 DHAB Cc1cccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1 3513945 SAGWQDYIZXAXCH-UHFFFAOYSA-N 308.333 3.767 0 40 DHAB Cc1ccc(C)c(SCC(=O)OCC(=O)c2cccs2)c1 3515771 KUVLCPPREUIVJR-UHFFFAOYSA-N 320.435 3.883 0 40 DHAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C)cc1 4084563 ZNOLUZGIEMZHPC-UHFFFAOYSA-N 323.392 3.681 0 40 DHAB biogenic O=C(C1CCCCC1)N1CCN=C1SCc1ccccc1F 4120499 IFTHZQYUULBSQU-UHFFFAOYSA-N 320.433 3.837 0 40 DHAB CCOC(=O)Nc1nc2ccc(Br)cc2s1 4144980 KCAFKDWDQKJQDD-UHFFFAOYSA-N 301.165 3.627 0 40 DHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1)C2 4857057 BKPJKUIMKNLOFF-ALOPSCKCSA-N 317.502 3.769 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccs1 4925826 IABIYTOOSMENMY-HZSPNIEDSA-N 324.442 3.909 0 40 DHAB Cc1cc(COC(=O)Cc2ccc(-c3ccccc3)cc2)no1 5281101 OEFHXKZJDNKFNY-UHFFFAOYSA-N 307.349 3.936 0 40 DHAB CCOc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)cc1 5962338 HEPVVPUNSAKITO-LBPRGKRZSA-N 300.354 3.974 0 40 DHAB O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 6152885 UCLJVRAOEFYRIE-UHFFFAOYSA-N 305.333 3.863 0 40 DHAB CCc1cccc2c(C(=O)CSc3nncs3)c[nH]c12 6653998 KXBNWMFLPPDGNQ-UHFFFAOYSA-N 303.412 3.557 0 40 DHAB CCN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 6951780 ITBWKUYSODVFRH-UKTHLTGXSA-N 316.744 3.513 0 40 DHAB O=C(OCc1c(F)cccc1Cl)c1cnc2ccccc2n1 7191759 KTAUOLGADJXZGV-UHFFFAOYSA-N 316.719 3.779 0 40 DHAB COc1ccc(C)cc1NC(=O)CSCc1cccs1 7475094 SRTNOAPVOQQTKZ-UHFFFAOYSA-N 307.440 3.937 0 40 DHAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccs1 7779931 JQZPYSDEVXHYFT-UHFFFAOYSA-N 320.757 3.809 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1C 7915303 FWHSGDQEIWMLTN-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB O=S(=O)(Nc1cccc2ncccc12)c1ccc(Cl)s1 7988242 WPUVLJNYKQIDRV-UHFFFAOYSA-N 324.814 3.751 0 40 DHAB CC(C)[C@@H](C)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 8734170 KBCQIGVKIHOUJW-LLVKDONJSA-N 322.405 3.734 0 40 DHAB CCOC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 9135001 GIKYXNRYCZYLPC-UHFFFAOYSA-N 312.325 3.921 0 40 DHAB COc1ccc(NC(=O)/C=C/Sc2ccccc2)c(OC)c1 9912071 KXGNPPLEUKOKEP-ZHACJKMWSA-N 315.394 3.948 0 40 DHAB Cc1cccc(NC(=O)c2cc(F)ccc2Br)n1 12522478 JLJUFRIZZNHGPR-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB Cn1c(-c2cc(C(=O)c3ccccc3O)c[nH]2)nc2ccccc21 12559266 QVLRSOLYEJWEHS-UHFFFAOYSA-N 317.348 3.505 0 40 DHAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 12998580 PWORCUSKUOKUOB-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 13795789 AQQOLGJPANSSRH-UHFFFAOYSA-N 320.801 3.936 0 40 DHAB Cc1ccc(C)c2[nH]c(=O)c(CNCc3ccccc3F)cc12 13998580 QQOWIPAALKEGAH-UHFFFAOYSA-N 310.372 3.574 0 40 DHAB COc1cc(CCC(=O)Nc2cc(C)ccc2F)cc(OC)c1 15603170 PYXLNYFBYHCSSR-UHFFFAOYSA-N 317.360 3.723 0 40 DHAB CCCC[C@]1(C)N=C(O)c2c(C)sc(C(=O)OCC)c2N1 17113149 ZWQSKLZHURAMLP-HNNXBMFYSA-N 310.419 3.870 0 40 DHAB CCc1ccc2c(C)nc(NC3=NC(C)(C)CC(C)=N3)nc2c1 19831564 NGFXXIKLZLDQGL-UHFFFAOYSA-N 309.417 3.912 0 40 DHAB CC(C)c1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1 19910437 UZGYGEIAQQWGHB-UHFFFAOYSA-N 306.369 3.643 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)cc1N 20344370 UHYMCRUJNDNRJS-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1ccc(C)c(CC(=O)NCc2cccc(OC(C)C)c2)c1 20457833 OJHTZZKTCGMPOL-UHFFFAOYSA-N 311.425 3.950 0 40 DHAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 22131748 NKVSDERFEKKPSQ-OAHLLOKOSA-N 300.427 3.791 0 40 DHAB C[C@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccncc1 25380244 LRSVZCSCFISLDF-AWEZNQCLSA-N 319.364 3.760 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cn1 26859819 HIXFANBWSXSQIY-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB CCOc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1 27917741 VFVLXSWYEVBJNN-UHFFFAOYSA-N 307.353 3.523 0 40 DHAB Cc1ccc(C(=O)c2csc3nc(=O)sc-3c2)cc1C 32598189 QRUGINFFUUKMPH-UHFFFAOYSA-N 301.392 3.517 0 40 DHAB COc1cccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)c1OC 32983401 PKJBAPRZRLJVAM-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB CC(C)c1noc(CCC(=O)Nc2cccc(Cl)c2F)n1 33155735 OOGDCBALWOEVEO-UHFFFAOYSA-N 311.744 3.557 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 36655889 HDWDFQCOCPBEAT-NUJGCVRESA-N 319.489 3.702 0 40 DHAB O=C(NC1CCCCC1)c1ccc(N2CCCCCC2)nc1 40071921 WGMHKRQLOUFPGI-UHFFFAOYSA-N 301.434 3.525 0 40 DHAB COc1ccc(C)cc1[C@H](O)c1ccc(Br)cc1 40263927 HECOKVWXLLDORV-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB O=C(NCc1cccc(Oc2ccc(F)cc2)c1)c1cccnc1 42382889 PCEQBKYFGYKIHG-UHFFFAOYSA-N 322.339 3.943 0 40 DHAB O=C(Nc1ccnn1Cc1cccc2ccccc12)c1ccco1 44566657 VBWJLXHQOONXHL-UHFFFAOYSA-N 317.348 3.930 0 40 DHAB O=C(Nc1ccnn1Cc1cccc2ccccc12)C1CCC1 44566729 DFVMSIUOEUTZPE-UHFFFAOYSA-N 305.381 3.823 0 40 DHAB CC(C)c1nn(C)c(Cl)c1CN[C@H]1CCOc2ccccc21 48686551 LHRPRCYVPGYTGI-AWEZNQCLSA-N 319.836 3.810 0 40 DHAB CCN(CC)CCCC(=O)NCC1(c2ccccc2)CCCC1 51330960 ZASQGHJCLRZSOY-UHFFFAOYSA-N 316.489 3.737 0 40 DHAB C[C@H](COc1ccccc1)NC(=O)c1ccc(Cl)cc1F 55732781 OFYRTQDDLHIVIV-LLVKDONJSA-N 307.752 3.676 0 40 DHAB Cc1cc(C(=O)N2CCC[C@H]2C2CCCC2)nn1C(C)(C)C 56035312 MXZVCYCWFFGOEJ-INIZCTEOSA-N 303.450 3.741 0 40 DHAB Cc1cc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)on1 64230349 IRPIZYKJTYAIDN-OAHLLOKOSA-N 319.792 3.683 0 40 DHAB CC(C)(C)c1ncc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1 64324650 WKAZUWJXXSDLQJ-UHFFFAOYSA-N 313.445 3.929 0 40 DHAB CN(C)[C@H](CNC(=O)c1sccc1C1CC1)c1cccs1 65474863 HUINDHJFQBQSBO-CYBMUJFWSA-N 320.483 3.720 0 40 DHAB CC(=O)c1c(C)nc(C)nc1SCc1ncc(C(C)C)o1 79091539 JSLIUZJAZHWGKM-UHFFFAOYSA-N 305.403 3.700 0 40 DHAB COc1cc(C)c(CN[C@H](C)c2csc(C)n2)cc1OC 83455807 MRYCDBVAKPNQNL-LLVKDONJSA-N 306.431 3.628 0 40 DHAB CC(C)c1ccc(CN(C2CC2)S(=O)(=O)CC2CCC2)cc1 89893397 UALHTSPXRRILJR-UHFFFAOYSA-N 321.486 3.904 0 40 DHAB Cc1occc1C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 95418205 IPLGWZSFLSGKSH-GOEBONIOSA-N 317.385 3.690 0 40 DHAB Cc1nccn1-c1ccc(CN[C@@H]2CCCc3sccc32)cn1 95420607 GXBZOERRARGRIN-MRXNPFEDSA-N 324.453 3.804 0 40 DHAB CC(C)(CNCc1ccccc1Cn1cccn1)c1ccccc1 95460047 QQRNHODJTPGPKZ-UHFFFAOYSA-N 319.452 3.999 0 40 DHAB CCc1ccccc1N[C@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 95915163 GNOKBWPIEYQXKX-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB CO[C@H](CNC(=O)Nc1ccccc1F)c1ccc(C)s1 96104874 KNIYHFWLBMNKQT-CYBMUJFWSA-N 308.378 3.705 0 40 DHAB CC[C@H](NC(=O)CCCn1ccnc1C)c1ccc(F)cc1F 96414561 WHDJSIYQSLJKRR-INIZCTEOSA-N 321.371 3.517 0 40 DHAB CC1(C)CCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)C1 96433982 LVUXGFQIVYZSLN-MRXNPFEDSA-N 318.417 3.508 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3ccccc13)[C@H]1C=C[C@H]2CC1 100171850 ATEILRMMIZTFGE-USJZOSNVSA-N 303.361 3.541 0 40 DHAB C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 108981048 BODPWXQMNACCCN-ILXVDBEPSA-N 324.424 3.825 0 40 DHAB CC(C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 224826092 VYPYFSFZIQSLQY-UHFFFAOYSA-N 306.258 3.999 0 40 DHAB OCC[C@@H](CN[C@H](c1ccccn1)C1CCC1)c1ccccc1 585135025 UQAMHDPQYCDLLA-ICSRJNTNSA-N 310.441 3.679 0 40 DHAB CCN(CC)c1ccc(NC(=O)COc2ccccc2C)cc1 143454 PSWDCMAYJORNPR-UHFFFAOYSA-N 312.413 3.859 0 40 DHAB Cc1ccc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 212876 XVNNKHSGNCZNIR-IBGZPJMESA-N 314.473 3.610 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1 362429 OAFGWEXHSIXWRR-LLVKDONJSA-N 320.186 3.855 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)cc1 405693 ZTVNQCYDGPRVLJ-UHFFFAOYSA-N 311.406 3.973 0 40 DHAB Cc1ccc(CSC2=CS(=O)(=O)c3ccccc3N2)cc1 1406157 GLZSVRIOJAUTED-UHFFFAOYSA-N 317.435 3.927 0 40 DHAB C[C@@H](CN(C)C)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698655 YIVFNVSKOBCLBC-HNAYVOBHSA-N 317.860 3.968 0 40 DHAB O=C(Oc1ccccc1C(=O)O)c1ccc(Cl)c(Cl)c1 1847239 RITIMAMXLDUTFE-UHFFFAOYSA-N 311.120 3.911 0 40 DHAB COc1ccc(CNC(=O)CSCc2ccccc2C)cc1 3601233 VHAYKXOJWMZGCB-UHFFFAOYSA-N 315.438 3.553 0 40 DHAB CCCC[C@@H](CC)CNC(=O)c1cc2ccccc2c(=O)o1 3634361 UFMKOVATKIVMRP-CYBMUJFWSA-N 301.386 3.739 0 40 DHAB O=C1c2cccc3cccc(c23)C(=O)N1CCc1ccccc1 4304430 ZFDSPMWGSWVSQU-UHFFFAOYSA-N 301.345 3.679 0 40 DHAB CCOC(=O)/C=C/C(=O)Nc1ccc(Oc2ccccc2)cc1 4676516 WCOOKVUVKCSIDK-OUKQBFOZSA-N 311.337 3.537 0 40 DHAB COc1ccc(CC(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 5528162 LYERCXIKQAAZPX-CYBMUJFWSA-N 313.372 3.745 0 40 DHAB CN(C(=O)NC(=S)c1cccnc1)c1ccc2ccccc2c1 6624671 CRMZCTMGVFFTEO-UHFFFAOYSA-N 321.405 3.756 0 40 DHAB Cc1c(C)n(Cc2ccco2)c2ncn(-c3ccccc3)c(=N)c12 6672189 DILBDUYPJFNGDB-UHFFFAOYSA-N 318.380 3.565 0 40 DHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(F)c(F)c2)c(C)c1 7053337 QGOUDJFFQPJUOR-UHFFFAOYSA-N 311.353 3.691 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2Cl)cc1C 7305117 RGRLUOXCFRADPZ-ZDUSSCGKSA-N 323.845 3.996 0 40 DHAB Cc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)c(C)c1 8097385 JWSQSWMMBSHGNY-UHFFFAOYSA-N 306.409 3.986 0 40 DHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1F 9169603 UZVZYOLEJGJGCW-UHFFFAOYSA-N 323.283 3.874 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 12170235 HDWDFQCOCPBEAT-JFIYKMOQSA-N 319.489 3.702 0 40 DHAB C[C@@H](CN1CCC(c2n[nH]c3ncccc23)CC1)c1ccccc1 12220712 CVHUWIGFPOQGFU-HNNXBMFYSA-N 320.440 3.941 0 40 DHAB Cc1cc(C)cc(C(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 12769366 FAYVUDQXMBUVJA-CQSZACIVSA-N 308.381 3.681 0 40 DHAB CC(C)n1ncc2cc(C(=O)N(C)C3CCCCCC3)cnc21 12807485 COVXZGBAIDFDKQ-UHFFFAOYSA-N 314.433 3.807 0 40 DHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(C)cc2)cc1 12929951 FYXNGRGXBSGQLA-LJQANCHMSA-N 324.424 3.779 0 40 DHAB COc1ccc(-c2cc(-c3cc(F)ccc3O)n[nH]2)cc1OC 13127500 ZSHCFIVVHFVOHS-UHFFFAOYSA-N 314.316 3.606 0 40 DHAB C[C@@H](NC(=O)c1ccccc1NC(=O)C1CC1)c1ccccc1 13999614 ZNWMWHJCZWQSHC-CYBMUJFWSA-N 308.381 3.526 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2cccc3ccccc23)C1 14202088 HFXCITHPWPIGGI-SOLBZPMBSA-N 313.441 3.557 0 40 DHAB CCOc1ccc2nc(NC(=O)C[C@@H]3C=CCC3)sc2c1 20011269 ATRKCMFPZPLXTO-LLVKDONJSA-N 302.399 3.990 0 40 DHAB CCC[C@@H](C)NC(=O)CCc1ccc(OCC)c(OCC)c1 20456750 CYSOUHACNFAPHB-CQSZACIVSA-N 307.434 3.721 0 40 DHAB Cc1ccc2oc(C(=O)NCCC3=CCCCC3)cc(=O)c2c1 22979720 IUKXFWUMJNNTDS-UHFFFAOYSA-N 311.381 3.722 0 40 DHAB CC[C@@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc(Cl)cc1 25553112 SDWPQJDIGRLAPJ-XJKSGUPXSA-N 308.853 3.782 0 40 DHAB Cc1sc(N)c(C(=O)c2cccc(Br)c2)c1C 27309554 YXCQFDPIBUYDTI-UHFFFAOYSA-N 310.216 3.941 0 40 DHAB CCn1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc2ccccc21 27923498 CPXXGNZCEDRJPC-CABCVRRESA-N 305.381 3.798 0 40 DHAB COc1ccc2c(c1)[C@@H](C)N1C(=O)c3cc(Cl)ccc3[C@H]1O2 35324788 KDBATVNHYJHSPM-VVVCHXIZSA-N 315.756 3.957 0 40 DHAB CC(C)NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 36360428 LSWCLNDVCHVJNJ-UHFFFAOYSA-N 322.408 3.745 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1ccccc1 38753790 BDQUPWRNFZQQTO-QGZVFWFLSA-N 303.427 3.566 0 40 DHAB Cc1cccc(C)c1NC(=O)c1ccc(Cn2ccnc2)cc1 38833498 WIVIBWJOJIYFSJ-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CCCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38858871 PPUGDHNYFHLAAI-MRXNPFEDSA-N 322.880 3.858 0 40 DHAB CCOc1ccccc1NC(=O)NCc1ccc(F)c(C)c1 40098750 CUEHPHGVGVTQOY-UHFFFAOYSA-N 302.349 3.855 0 40 DHAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 40114255 IZYUAQODKVCJMI-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB Cc1ccc(OCCNC(=O)Nc2ccc(F)c(F)c2F)cc1 43232282 QOKUBCASILWNMO-UHFFFAOYSA-N 324.302 3.613 0 40 DHAB C[C@H](NCC(=O)N(C)Cc1ccco1)c1ccc2ccccc2c1 49581181 WZIIWJXIRRIQAP-HNNXBMFYSA-N 322.408 3.742 0 40 DHAB Cc1ccc2oc(C(=O)Nc3ccnn3[C@@H](C)C3CC3)cc2n1 69902675 QKRHZNVMMVSGEV-NSHDSACASA-N 310.357 3.556 0 40 DHAB CC(C)c1cccc(NC(=O)N[C@H]2CCC[C@@H]2n2ccnc2)c1 75092583 ISZWEHJFPYQBLI-IRXDYDNUSA-N 312.417 3.922 0 40 DHAB C[C@@H]1CCN(C(=O)CSc2ccncc2)[C@H](c2ccco2)C1 75389741 PYFVLGCBPHEFAH-HIFRSBDPSA-N 316.426 3.767 0 40 DHAB C[C@@H](NCc1ccc(Cl)nc1)c1cccc(-n2ccnc2)c1 83473202 GFHAKBYEDWSNAN-CYBMUJFWSA-N 312.804 3.772 0 40 DHAB O=C(C[C@@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccco1 84578915 CVAYIXFWHQDWSX-HOCLYGCPSA-N 311.381 3.900 0 40 DHAB CC1(C)[C@@H](OC(=O)c2nccc3ccccc23)[C@H]2CCCO[C@H]21 84668207 KSPSFWLBFAAXQS-UAGQMJEPSA-N 311.381 3.595 0 40 DHAB C[C@@H](NC1CCC(CN(C)C)CC1)c1cc(F)c(F)c(F)c1 90707459 FNAJUVXNDJVBHJ-LKSINWNRSA-N 314.395 3.875 0 40 DHAB CCOC(=O)c1cc(Cl)nc2cc(Br)ccc12 91297274 RQPPQLYGLLRMFC-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB Cc1ccc([C@@H](O)CN[C@H](c2ccccc2)c2ccccn2)cc1 95405112 AVBKAYDJQCFQQT-LEWJYISDSA-N 318.420 3.803 0 40 DHAB COc1ccc2c(c1)[C@H](NCc1ccc(O)c(F)c1)CCCO2 95422885 QCSBOGZHVZDIJQ-MRXNPFEDSA-N 317.360 3.543 0 40 DHAB C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ncncc1Cl 95427936 GCBPSWZRRPSZDC-MBNYWOFBSA-N 315.804 3.537 0 40 DHAB COCC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccco1 95468450 PDWCCMNYYZTNKZ-MRXNPFEDSA-N 317.385 3.574 0 40 DHAB CC(C)(C)Oc1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 95633967 XRZXKSQWHZDNIE-HUUCEWRRSA-N 304.386 3.938 0 40 DHAB Cc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)o1 95962156 RVWXTDCUYLINNX-CQSZACIVSA-N 301.411 3.842 0 40 DHAB C[C@H](CNC(=O)N(C)C[C@@H](C)c1nccs1)c1cccs1 96009953 LVGXIDFNMZOWIS-VXGBXAGGSA-N 323.487 3.753 0 40 DHAB Cc1ccccc1NC(=O)NCC[C@@H](O)c1cc2ccccc2o1 96097310 HJBILUBRTVUDIK-MRXNPFEDSA-N 324.380 3.986 0 40 DHAB Cn1cc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)cn1 96183832 UWLLEYIHUNHLPU-UHFFFAOYSA-N 317.732 3.711 0 40 DHAB CNC(=O)c1cccc(CN[C@@H](CC(C)C)c2cccs2)c1 96476716 NXMRMTIACGTHAT-INIZCTEOSA-N 316.470 3.985 0 40 DHAB C[C@H]1Cc2cc(CN3[C@@H]4CC[C@@H]3c3cccnc3C4)ccc2O1 100198491 AYJQRXUMHWDPRA-URKNILKWSA-N 306.409 3.667 0 40 DHAB CC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100743060 LANFJOBBEPUSIU-CUDZTTRCSA-N 315.413 3.551 0 40 DHAB biogenic CCc1ccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 131762183 VRSCSRWFRQGRQO-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1 216274978 GPHWOOYZVHQWCO-JSGCOSHPSA-N 313.850 3.506 0 40 DHAB Nc1nnc(-c2ccc(OCc3ccc(F)cc3)c(Cl)c2)o1 216816148 JMMRAQOMTWBNLK-UHFFFAOYSA-N 319.723 3.690 0 40 DHAB COc1ccccc1C(=O)Nc1nnc(SCC(C)C)s1 224723374 URYICFJQAHUWIN-UHFFFAOYSA-N 323.443 3.547 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 257256491 KLRZXNHLSCZDAQ-INIZCTEOSA-N 306.413 3.646 0 40 DHAB Cc1cncc([C@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1 257312271 UNDJFGKIMXUGLW-QGZVFWFLSA-N 321.380 3.817 0 40 DHAB Cc1ccccc1C1CC(N[C@H](Cc2ccccc2)C(=O)O)C1 263411597 LOUSIVUXEPXCRD-FAFZWHIHSA-N 309.409 3.527 0 40 DHAB COc1ccc2c(c1)[C@@H](NCc1ccccc1CO)CCS2 390833626 KNFJKLXBVSTLKU-KRWDZBQOSA-N 315.438 3.514 0 40 DHAB O=C(O)[C@H]1CCCCc2c1[nH]c1ccc(Br)cc21 575319671 VMDSCLATYQTGKP-JTQLQIEISA-N 308.175 3.825 0 40 DHAB CC(C)OCCCNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 585092935 VBDIFWQNDRAXIO-OAQYLSRUSA-N 324.368 3.839 0 40 DHAB C[C@H]1CCc2c(sc3c2c(=O)nc2n3Cc3ccccc3-2)C1 1565525005 VVIDBABQGVTCAB-JTQLQIEISA-N 308.406 3.612 0 40 DHAB Cc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1 36019 MPHNFTCUDMPWLY-UHFFFAOYSA-N 311.406 3.627 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1 45006 FQPBMLQDWYMZMD-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1nnc(C(C)C)s1 199443 LYPLHHRZSFVCLK-UHFFFAOYSA-N 311.794 3.576 0 40 DHAB CN(C)C(=S)SCCOc1ccc(Cl)cc1Cl 1615383 GQZMXCQTCJZLDT-UHFFFAOYSA-N 310.271 3.952 0 40 DHAB CC(C)C[C@@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 2525418 QKKDLYIXBVOROA-SFHVURJKSA-N 318.461 3.766 0 40 DHAB COc1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1 3128594 KDEOIZFBJGSWFC-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)COc1cccc(C)c1 3261682 XAPLZBZTOBMYKK-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB O=C(COc1ccc(Cl)cc1)NCc1ccccc1Cl 3514985 NFQSABWZMJHSIH-UHFFFAOYSA-N 310.180 3.689 0 40 DHAB CC[C@H](C(=O)Nc1c(C(N)=O)oc2ccccc12)c1ccccc1 4851999 XBJCOCKYOOSSCJ-ZDUSSCGKSA-N 322.364 3.664 0 40 DHAB CCOc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 6811235 YQPRFQNVJNPZMC-UHFFFAOYSA-N 323.348 3.752 0 40 DHAB COc1ccccc1CSc1nnc(-c2ccoc2C)o1 7195457 HQJRVDNHVRXDIR-UHFFFAOYSA-N 302.355 3.939 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC 7654356 IHGNKVFMGJPOMJ-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(F)c1 7944892 YTUQQIBFPVNJMX-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB Cc1ccc(OCCNC(=O)CSc2ccc(C)cc2)cc1 8237453 OJTJXEKYLZREIG-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 9467714 QWUMWIPWGCSAET-LLVKDONJSA-N 313.788 3.636 0 40 DHAB Cc1ccc(CNC(=O)NCCCOC2CCCCC2)cc1 10083728 BXORDSWKUXGYOH-UHFFFAOYSA-N 304.434 3.534 0 40 DHAB Cc1ccc(CCCNC(=O)COc2ccc(C)c(C)c2)cc1 10110584 PWTZVPFFBIYOSM-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C 11614183 UCLXUJJPGZHFOC-HNNXBMFYSA-N 315.438 3.752 0 40 DHAB O=C(O)c1ccc(OCCc2ccccc2)c(Br)c1 11897141 NQXZQUXYPKGUKA-UHFFFAOYSA-N 321.170 3.769 0 40 DHAB CCc1ccc2[nH]c(=O)c(CNc3ccc(OC)cc3)cc2c1 12144308 YXHALSBLUNMBJP-UHFFFAOYSA-N 308.381 3.711 0 40 DHAB CC(C)c1nnc2sc(COc3ccccc3Cl)nn12 13566114 ZEKOICPLOYRQPB-UHFFFAOYSA-N 308.794 3.542 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)CSc1ccc(C)cc1 15402812 ODZZOKDYEVRLJP-AWEZNQCLSA-N 315.438 3.973 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1F 17155980 ARRXEGTUQGPADB-ZDUSSCGKSA-N 301.361 3.585 0 40 DHAB Cc1ccc2cc3c(nc2c1)OCCN(Cc1ccccc1)C3 19234311 YNRWMAYSHOGBPW-UHFFFAOYSA-N 304.393 3.938 0 40 DHAB CCOC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 19472068 TUWHVGLVCKAJJO-UHFFFAOYSA-N 322.158 3.813 0 40 DHAB Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2ccc(F)cc2)s1 19927622 KIHDROLSTULVNE-TVQRCGJNSA-N 308.403 3.758 0 40 DHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(F)cc1 20035475 NKCDNZHLLSFOEU-QGZVFWFLSA-N 315.388 3.916 0 40 DHAB CCCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 22523564 ZWEXQFNAZVIPNQ-UHFFFAOYSA-N 308.425 3.779 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)cc1 22523599 HZNWJCTVULMTLV-MRXNPFEDSA-N 303.333 3.630 0 40 DHAB COCc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 25334895 YLYSMRTVDUCUHY-UHFFFAOYSA-N 305.761 3.504 0 40 DHAB CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 27578769 YDMUBYHKLBRAIP-UHFFFAOYSA-N 306.409 3.804 0 40 DHAB Cc1csc(NC(=O)c2csc(-c3ccc(C)o3)n2)n1 31228179 XLZSYLXCOANOEF-UHFFFAOYSA-N 305.384 3.729 0 40 DHAB C[C@@H]1CN(C(=O)/C=C/c2cccc(Cl)c2Cl)[C@H](C)CO1 36395331 KPDZZCIWAPVQEJ-AFPRHGJPSA-N 314.212 3.642 0 40 DHAB CNC(=O)c1ccc(OCCCOc2ccc(Cl)cc2)cc1 42114439 BHYSJPRBYTTYIZ-UHFFFAOYSA-N 319.788 3.548 0 40 DHAB CSc1nccn1-c1ccc(C(=O)Nc2ncccc2C)cc1 48227210 IVWDRALBFWBPLL-UHFFFAOYSA-N 324.409 3.550 0 40 DHAB COC(=O)N(C)c1ccc(NC(=O)N2CCCCCCC2)cc1 56790061 FJBNYIMSCGRWOT-UHFFFAOYSA-N 319.405 3.687 0 40 DHAB CCN(CC)CCCNC(=O)c1cc2cc(Cl)ccc2o1 65499616 OMWTYXUCJDAODX-UHFFFAOYSA-N 308.809 3.548 0 40 DHAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1nccs1 65565315 HOOFKUOCIGEMPZ-MRVPVSSYSA-N 316.304 3.533 0 40 DHAB Cc1nnc(CN(CCc2ccccc2)CCc2ccccc2)o1 66862459 PLZUGEMZJKSOGW-UHFFFAOYSA-N 321.424 3.665 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2cccc(F)c2C)cc1 71325994 NDDYTCXVRJIQEU-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CC(C)c1nccn1[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 71870852 CPMBBYFRJYUIEL-CVEARBPZSA-N 301.434 3.526 0 40 DHAB CN(C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72212693 PEYLDLBHBFDURK-QGZVFWFLSA-N 309.413 3.515 0 40 DHAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1nc2ccccc2o1 72276555 OQARQUUWXYPXPO-LBPRGKRZSA-N 316.792 3.865 0 40 DHAB CCc1csc([C@@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 72282244 JWIHOHGXRPXIBV-SNVBAGLBSA-N 323.849 3.707 0 40 DHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1 72414168 HTUUUUHCFLJVRF-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB O=C(Nc1ncccc1O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 73407353 XINAGVMBRPGMPT-WDEREUQCSA-N 322.286 3.548 0 40 DHAB C[C@H](CNC(=O)Nc1ccc(SC(F)F)cc1)C[C@@H](C)O 77658117 ZVBSKTJSCMOLMD-VHSXEESVSA-N 318.389 3.530 0 40 DHAB O=C(NC1(c2nccs2)CCCC1)c1cccc2[nH]ccc12 81755428 LSWFBLLDTQJLPI-UHFFFAOYSA-N 311.410 3.824 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)c1cc(F)cc2[nH]cnc12 95365140 WAEVNDYNWIUSEP-VIFPVBQESA-N 303.362 3.597 0 40 DHAB CNC(=O)c1cccc(CN[C@H](C)c2ccc(F)cc2Cl)c1 95420961 BNFWUTGUCCVWOL-LLVKDONJSA-N 320.795 3.690 0 40 DHAB Cc1ccccc1[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 95837060 GOXPNHIQWSDRCN-MRXNPFEDSA-N 305.418 3.676 0 40 DHAB c1cc(CN2CCC3(CC2)C[C@@H](OCC2CCC2)CO3)cs1 96106951 IIEBPPNCHOMCPM-QGZVFWFLSA-N 321.486 3.688 0 40 DHAB Cc1cccc(NC(=O)c2ccnn2-c2ccc3ccccn23)c1 96266951 ZYQGKOPKVTTWPV-UHFFFAOYSA-N 316.364 3.686 0 40 DHAB Cc1nnc(CS[C@@H](C)c2ccc(OC(F)F)cc2)o1 96467845 SVPKANZEWNOYIT-QMMMGPOBSA-N 300.330 3.974 0 40 DHAB COc1cc(F)cc(NC(=O)NC[C@H](C)c2nc(C)cs2)c1 97113391 OIJVFABYAVLGNU-VIFPVBQESA-N 323.393 3.524 0 40 DHAB S=C(N[C@H]1CCCc2ccccc21)N[C@H]1C[C@@H]2CC[C@@H]1C2 100999060 FPTCJJAESGOLQE-IRWJRLHMSA-N 300.471 3.717 0 40 DHAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc(C)c1C 102196731 KVXCVEZZNMQOBZ-UPJWGTAASA-N 321.442 3.916 0 40 DHAB CCCCOc1ccc(CNC[C@@H]2CCCO2)cc1OCC 119591447 ICJVBZVIZNJFMA-INIZCTEOSA-N 307.434 3.533 0 40 DHAB CCc1cccc(Oc2ccc(NC(=O)C3=CCOCC3)cn2)c1 192742274 OKHCBQAYOWWKAM-UHFFFAOYSA-N 324.380 3.722 0 40 DHAB Cc1cccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1 195783767 LLEWQOIOFBJPFD-OQLLNIDSSA-N 312.756 3.746 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NCCSC1CCCC1 222786875 IFYIXRFARNRGSP-INIZCTEOSA-N 307.459 3.636 0 40 DHAB COc1ccc(-c2nnsc2C(=O)OC2CCCCC2)cc1 223836307 GINVUTSTMRAQGU-UHFFFAOYSA-N 318.398 3.703 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2ccc(F)cc2)cc1C 225190785 CZFKYZDJWLKGKW-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C 226275748 XRBNEHKOTPENKL-LBPRGKRZSA-N 314.351 3.899 0 40 DHAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccc2cccnc12 226785672 OEJDKVCNPMDTTD-QGZVFWFLSA-N 321.405 3.994 0 40 DHAB O=C(c1cccc2cccnc12)N1CCC[C@@H](c2nccs2)C1 257233615 GPZPCXKQPLCTRI-CQSZACIVSA-N 323.421 3.711 0 40 DHAB Cc1cc(-c2nc(C)cs2)nc([C@H]2CCCN(C(C)C)C2)n1 257332367 XWZARYMOXQQPLU-AWEZNQCLSA-N 316.474 3.805 0 40 DHAB COc1ccc(N(C)C(=O)c2ccc3sc(C)nc3c2)cc1 408978598 NBAIJXYFYCDKAK-UHFFFAOYSA-N 312.394 3.890 0 40 DHAB CCCN(CCN1CCCC1)C(=O)c1cc2cccc(F)c2o1 585082350 HHVRKAVVNMQOQQ-UHFFFAOYSA-N 318.392 3.520 0 40 DHAB CCOC(=O)c1cnc2c(C)cccc2c1NCc1cccnc1 85168 VWVFLPFLAWAVQV-UHFFFAOYSA-N 321.380 3.727 0 40 DHAB O=C(Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)c1ccco1 151691 OIDMQNRSBLCFIW-UHFFFAOYSA-N 322.272 3.865 0 40 DHAB CC1(C)CCCC2=C1C[C@H]1C(=O)NN(c3ccccc3)C(=O)[C@H]1C2 171947 SEEZGBPPAWHPMP-CVEARBPZSA-N 324.424 3.597 0 40 DHAB biogenic Cc1ccccc1N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl 364545 JADOTYCCXSLZGS-GFCCVEGCSA-N 323.651 3.875 0 40 DHAB Cc1ccc(-c2nnc3sc(Cc4ccc(F)cc4)nn23)cc1 384987 DJEVOCJREJTSLC-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB COc1cccc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)c1 3386159 IDMZMCJIJIJDQE-IBGZPJMESA-N 324.424 3.907 0 40 DHAB CCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1cccc(C)c1 4163187 RZYRTGDMCVTAOO-UHFFFAOYSA-N 306.365 3.712 0 40 DHAB CCc1nnc(NC(=O)c2csc3c2CC[C@H](C)C3)s1 4186508 XOBODSXIUJMSFJ-QMMMGPOBSA-N 307.444 3.539 0 40 DHAB O=c1[nH]c2ccccc2nc1/C=C\n1c(=S)[nH]c2ccccc21 5724423 DETTWLLIHVOHGS-KTKRTIGZSA-N 320.377 3.563 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)Cn1c(C)nc2ccccc21 7454218 UZQUMJLFEAPCNN-UHFFFAOYSA-N 313.788 3.945 0 40 DHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 7987984 KEJUMTOOVQJLKZ-CQSZACIVSA-N 319.719 3.719 0 40 DHAB Cc1ccc(CNC(=O)[C@@H](C)Sc2ncccc2Cl)cc1 8747711 JWXWEYXOOOPEFG-GFCCVEGCSA-N 320.845 3.840 0 40 DHAB Cc1ccc(CSc2nc(CC(=O)NC(C)C)cs2)cc1 8936127 HUHCUORYSMTZMV-UHFFFAOYSA-N 320.483 3.811 0 40 DHAB COc1ccc([C@H]2CCCCCN2CC(=O)c2ccc[nH]2)cc1 8939397 UBSXDIIKTZPUDR-GOSISDBHSA-N 312.413 3.823 0 40 DHAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 9155789 WJFVPKFXAVQEDH-LLVKDONJSA-N 312.394 3.680 0 40 DHAB Fc1ccc2[nH]c3nc(SCCc4ccccc4)nnc3c2c1 9341091 MPSVXZWEZXSDHG-UHFFFAOYSA-N 324.384 3.980 0 40 DHAB CC(=O)Nc1ccc(SCc2c(F)cccc2Cl)nn1 11738792 BBDCMKDAEGOTKZ-UHFFFAOYSA-N 311.769 3.520 0 40 DHAB COc1cc2nc(Cl)nc(NC3CCCC3)c2cc1OC 11756097 HHXQRKYQHJYWHP-UHFFFAOYSA-N 307.781 3.655 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 13938481 NTCVVYXGVGNZDA-UHFFFAOYSA-N 309.475 3.985 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1cccc2ncccc12 14157843 VSNJAAQGDXFKLS-UHFFFAOYSA-N 315.376 3.689 0 40 DHAB COc1ccc2cc3c(nc2c1)N(C(=O)c1cccc(C)c1)CC3 15842115 HGEBYBFZFGTVHA-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB Nc1ccc(NC(=O)COc2ccccc2Cl)c(Cl)c1 20344512 BDWGQRQSWVZVDS-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB O=C(Nc1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc2c1=O 23118803 UZVVRJXAYBZDLA-UHFFFAOYSA-N 316.719 3.573 0 40 DHAB CN(C)Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 23898910 IGEFFQORHFSRFL-UHFFFAOYSA-N 312.457 3.903 0 40 DHAB O=C(CCc1ccsc1)N[C@H](c1ccccc1)c1ccccn1 24649932 ZLZQCAHVYOGRHH-LJQANCHMSA-N 322.433 3.982 0 40 DHAB COc1cccc(-n2c(CNc3ccccc3)n[nH]c2=S)c1 26439431 ROICSKBNXCGNGJ-UHFFFAOYSA-N 312.398 3.551 0 40 DHAB CC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)nc1C 27740549 SIWCVUUYLPTFOT-UHFFFAOYSA-N 314.366 3.961 0 40 DHAB CC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(F)cc2)CCCC1 32743643 NZKMWVQURFSQTR-UHFFFAOYSA-N 320.408 3.629 0 40 DHAB O=C(CCCc1ccccc1)Nc1ccccc1-n1cccn1 40133816 GOMCSMUEMDNJIB-UHFFFAOYSA-N 305.381 3.834 0 40 DHAB CN(Cc1ccccc1)C(=O)COc1cccc(C(F)(F)F)c1 41103634 UZMUNPAVYFWNMI-UHFFFAOYSA-N 323.314 3.743 0 40 DHAB O=C(Cc1cccc(-c2nc3ccccc3o2)c1)N1CCCC1 41127613 BEFJLUQKUWJKSR-UHFFFAOYSA-N 306.365 3.660 0 40 DHAB Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)no1 41894326 ISNUNCPNPMVBEO-HZMBPMFUSA-N 300.358 3.504 0 40 DHAB COc1ccc2nc(C(=O)N(C)Cc3cccs3)ccc2c1 44893191 XIOAORUXEAAAAN-UHFFFAOYSA-N 312.394 3.577 0 40 DHAB COc1ccc(CNc2ncnc3c2oc2ccccc23)cc1 46341111 ADYNSSWTSQVHOL-UHFFFAOYSA-N 305.337 3.997 0 40 DHAB Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2ccccc2C)cc1 48374097 HKEXSRJQMGAAOF-SJORKVTESA-N 310.441 3.659 0 40 DHAB CC(C)Oc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1 49544398 NBYDVYIXEQKNBJ-HNNXBMFYSA-N 317.414 3.632 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)c1nc(C2CC2)no1 55151701 WBMBJHIJBGKMNB-LBPRGKRZSA-N 323.400 3.923 0 40 DHAB COc1cccc(CCCNC(=O)Cc2ccccc2Cl)c1 66436675 LUCGDEGLXOQUGM-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB OC[C@H](c1ccc(OCc2ccccc2)cc1)N1CCCCC1 70453343 JZABXBFHQGMQOR-HXUWFJFHSA-N 311.425 3.785 0 40 DHAB Cc1nc2ccccc2c(Cl)c1I 72207256 RAXQMBUWHAGUBH-UHFFFAOYSA-N 303.530 3.801 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2)cn1 72214661 FUONWCFLGWFPBC-CQSZACIVSA-N 305.422 3.658 0 40 DHAB O=C(CC[C@H]1CCCCO1)N1CCCC[C@@H]1c1nccs1 72285838 QRXDUODKDWRXSJ-ZIAGYGMSSA-N 308.447 3.546 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1Cl 84183011 SHFNSQHTHHWPEC-XJKSGUPXSA-N 321.852 3.596 0 40 DHAB CCN(Cc1ccccn1)C(=O)Nc1cccc(N(C)CC)c1 84320830 XRPPCFOLNQFXGR-UHFFFAOYSA-N 312.417 3.592 0 40 DHAB CN(C)c1ncc(C(F)(F)F)cc1-c1ccc(C(=O)O)cc1 95082159 XABTWHXOLLVAKE-UHFFFAOYSA-N 310.275 3.532 0 40 DHAB CCCC(=O)Nc1cccc(NCc2nccn2C(C)C)c1 95411964 AZXAACGMAMBQMF-UHFFFAOYSA-N 300.406 3.815 0 40 DHAB COCc1cc(CN[C@@H](C)c2ccc(OC)c(F)c2)ccc1F 95422705 AHKPRDRNVIIADE-LBPRGKRZSA-N 321.367 3.971 0 40 DHAB CC[C@@H](c1ccc(F)cc1F)[S@@](=O)CC1CCOCC1 95439189 SYKZMCYVMUYRRV-MGPUTAFESA-N 302.386 3.591 0 40 DHAB C[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 95988669 DUGRLGVSAQDDHK-NTZNESFSSA-N 315.335 3.698 0 40 DHAB Cc1cc([C@@H](C)NC(=O)Nc2cccc([S@@](C)=O)c2)c(C)o1 96410688 FJYZABURJSZSTK-XFNZEKPQSA-N 320.414 3.517 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 103051431 ZVIFKIHTQYLPRS-HBPKQKSZSA-N 301.430 3.703 0 40 DHAB N[C@@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O 113264413 VVJSFKRZWZKXLP-FQEVSTJZSA-N 317.388 3.975 0 40 DHAB Cc1c(Br)ccc(NC(=O)N2CCCC2)c1F 194220372 KBLSRDWRZWUONH-UHFFFAOYSA-N 301.159 3.524 0 40 DHAB COc1ccc(C[C@H](Sc2ccc(C)cc2)C(=O)O)cc1 225102994 JBVXVHLPTHCZLJ-INIZCTEOSA-N 302.395 3.792 0 40 DHAB Cc1ccnc(NC(=S)NCc2ccc(OC(C)C)cc2)c1 225448175 ROPNZGUPIWQLTM-UHFFFAOYSA-N 315.442 3.664 0 40 DHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 225492715 UREZVRWBERFQRE-HNNXBMFYSA-N 313.397 3.509 0 40 DHAB Cc1cccnc1NC(=S)NCCCc1ccc(Cl)cc1 225545532 BOAVKAPDFJCMMV-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB c1cncc(-c2ccc3c([C@@H]4CCCN4CC4CC4)ncn3c2)c1 306144876 ZREWWLONGKQZMM-SFHVURJKSA-N 318.424 3.943 0 40 DHAB CCN1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O 409097326 NJFHQGGIOCLKLN-XNTDXEJSSA-N 313.378 3.905 0 40 DHAB Cc1ccc(F)cc1NC(=O)[C@H](C)Cn1ncc2ccccc21 551095032 CCGZYCFYKBMZBE-CYBMUJFWSA-N 311.360 3.759 0 40 DHAB CCc1nc(CN(C)[C@@H](C(=O)O)c2cccc(Cl)c2)cs1 574816494 MEVIIENCPBILPW-CQSZACIVSA-N 324.833 3.617 0 40 DHAB O=C(Nc1ccc(N2CCCC2)cc1)C1(Nc2ccccc2)CC1 585131143 MUZOZSVIXOKQII-UHFFFAOYSA-N 321.424 3.870 0 40 DHAB OCc1cc(C(F)(F)F)nc2c(Br)cccc12 685937417 PCQOFQQQHZQNKF-UHFFFAOYSA-N 306.081 3.508 0 40 DHAB Cc1nc(C)c(C(=O)N2CC3(CC(c4ccccc4)C3)C2)s1 1889139487 XLFZUPDQCLGRKH-UHFFFAOYSA-N 312.438 3.780 0 40 DHAB CCSc1nnc2c3c4c(sc3nc(C)n12)C[C@H](C)CC4 413749 NQBUPOZKGGAJEX-MRVPVSSYSA-N 318.471 3.884 0 40 DHAB Cc1cccc(-c2nnc3sc(COc4ccccc4)nn23)c1 532962 VYAJQEYSUPSPNI-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccnc1 2080204 CYOMYVFGBGMWGK-UHFFFAOYSA-N 304.777 3.841 0 40 DHAB CSCC[C@H](N)c1nc2ccccc2n1Cc1ccccc1 3267779 JOVPURHSOZNSAD-HNNXBMFYSA-N 311.454 3.838 0 40 DHAB in-vitro O=c1c2oc3ccccc3c2ncn1Cc1ccc(Cl)cc1 3908581 SNKOLDOQVAJLFS-UHFFFAOYSA-N 310.740 3.844 0 40 DHAB CCCCc1nnn(-c2nc(C)c3c(n2)CCC3)c1CCCC 4072992 BMUOKTZASBGOQM-UHFFFAOYSA-N 313.449 3.540 0 40 DHAB CC[C@H](C)n1cc(/C=C2\NC(=O)N(CC)C2=O)c2ccccc21 4749748 CTDQRVCFKGOLRR-GQVHDAKQSA-N 311.385 3.525 0 40 DHAB Cc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)c(C)c1 4894855 RGERJUCVNZXDKS-UHFFFAOYSA-N 323.421 3.859 0 40 DHAB CC[C@H]1CC[C@@H]2[C@H](CC[C@@]3(N(C)C)CC[C@@H](OC)[C@@H](OC)[C@H]23)C1 5339248 JGYKCSORDIHDBG-BDBHOTGSSA-N 323.521 3.963 0 40 DHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCC1CCCC1 5617279 HBMYAAFBFYCYMQ-CYBMUJFWSA-N 319.401 3.536 0 40 DHAB CCSc1nnc([C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 6934369 GJWKEFORDURVQH-VHSXEESVSA-N 315.439 3.794 0 40 DHAB CC(=O)Nc1ccc(SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 7028476 LCXNGBIYIWJTPI-CHWSQXEVSA-N 320.458 3.527 0 40 DHAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(C(C)=O)s1 7117363 KURZTHOKGVLQQY-UHFFFAOYSA-N 317.410 3.540 0 40 DHAB c1ccc(-n2cnnc2SCc2nc3ccccc3o2)cc1 8427862 MITOEESVQZVFJX-UHFFFAOYSA-N 308.366 3.701 0 40 DHAB COC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccccc21 9059635 HXJZFAMIDXBUII-UHFFFAOYSA-N 300.745 3.530 0 40 DHAB COc1cc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)ccc1C 9919282 DHFGEVFDJBWLBN-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB c1cc(-c2noc(CN3CCC[C@H]4CCCC[C@@H]43)n2)cs1 12739583 LUWLQDIYACZGME-OCCSQVGLSA-N 303.431 3.953 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)NCCc2cccs2)c1C 12892351 VFHUVZSWRCSKSY-UHFFFAOYSA-N 323.483 3.503 0 40 DHAB CCOC(=O)c1ccccc1NC(=S)Nc1ccc(C)cc1 13812288 LOTGHWDWNKTLQZ-UHFFFAOYSA-N 314.410 3.981 0 40 DHAB COc1ccc2nc(CC(=N)c3ccc(N(C)C)cc3)ccc2c1 16968478 QSTRBAPWUYQORA-UHFFFAOYSA-N 319.408 3.920 0 40 DHAB COc1cccc(CN(C)C(=O)c2ccc3ncsc3c2)c1 21333451 YATMOKMYLIUPDI-UHFFFAOYSA-N 312.394 3.577 0 40 DHAB Cc1ccc(-c2csc(S[C@H]3CCCCNC3=O)n2)cc1 22241410 OCULZESTANZCDZ-AWEZNQCLSA-N 318.467 3.879 0 40 DHAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1C 23043144 WTKHZSIZIZTLPH-UHFFFAOYSA-N 315.438 3.657 0 40 DHAB CCCCCc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1 23079492 GCNWVDAPAWPAMZ-QGZVFWFLSA-N 304.434 3.519 0 40 DHAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H](c2nc3ccccc3o2)C1 24693543 VVNYVSATMBJDKE-CABCVRRESA-N 310.397 3.890 0 40 DHAB COc1c(N)cc(-c2nc3ccccc3o2)cc1Br 26509109 RUXSTDSAWPRMPU-UHFFFAOYSA-N 319.158 3.848 0 40 DHAB O=C(c1cc(Br)c[nH]1)N(Cc1ccccc1)C1CC1 31069754 SWBJSFQJRWKJSQ-UHFFFAOYSA-N 319.202 3.582 0 40 DHAB COC(=O)c1ccc(CN2CCCSc3ccccc32)cc1 32751466 CFSCHASHNRSSQF-UHFFFAOYSA-N 313.422 3.976 0 40 DHAB O=c1cc(Sc2ccc(F)cc2)nc2ccc(Cl)cn12 32837503 LGWISOTUGDPJOQ-UHFFFAOYSA-N 306.749 3.638 0 40 DHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@]1(C)CC1(Cl)Cl 32931246 REZQBCQQVAOHRP-TVQRCGJNSA-N 320.647 3.971 0 40 DHAB CSc1ccccc1C(=O)NCCO[C@H]1CCCC[C@@H]1C 32931259 USHQAAZWYSHCKN-ZFWWWQNUSA-N 307.459 3.734 0 40 DHAB C#CCOc1ccc(/C=C2\SC(=S)N=C2O)cc1Cl 33612517 PHTCMWUZZARTDE-XFFZJAGNSA-N 309.799 3.681 0 40 DHAB COc1ccc(-c2csc(C3CCNCC3)n2)cc1Cl 36179630 UCDDVSJFPGIXCZ-UHFFFAOYSA-N 308.834 3.939 0 40 DHAB COc1ccccc1-c1nc(CSc2nccn2C)cs1 39586329 OASYJCDUSVUYCG-UHFFFAOYSA-N 317.439 3.845 0 40 DHAB CCC(C)(C)c1ccc(O[C@@H]2CCNC2)c(Br)c1 42775274 OMFPRYSCVHTWBP-GFCCVEGCSA-N 312.251 3.877 0 40 DHAB COc1ccccc1NC(=O)NCc1ccc(SC)cc1 44845635 DLOOOUZONMPVCS-UHFFFAOYSA-N 302.399 3.739 0 40 DHAB O=C(CCCOc1ccccc1)Nc1ccc(-c2nnco2)cc1 47298848 INSOWXDKODBQDI-UHFFFAOYSA-N 323.352 3.534 0 40 DHAB Cc1nc(CN(Cc2ccncc2)Cc2ccc(C)s2)c[nH]1 55118876 DGSSMGOWVSAVJK-UHFFFAOYSA-N 312.442 3.685 0 40 DHAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)CC2CC2)s1 55519647 DHDHYCGSIOLANH-UHFFFAOYSA-N 318.417 3.669 0 40 DHAB C[C@H](Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)N1CCCC1 58404723 FONNFZFDVMXSSI-LBPRGKRZSA-N 315.417 3.548 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(-c3sccc3C)c2)c(=O)[nH]1 65613626 LERMFQQICCAHHD-UHFFFAOYSA-N 324.405 3.973 0 40 DHAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 72214453 LCHWPDLITQNXHN-CQSZACIVSA-N 305.422 3.610 0 40 DHAB O=C(CCc1ccccc1F)N(Cc1ccco1)c1ccccn1 72281267 WYWMLOMADXTQDY-UHFFFAOYSA-N 324.355 3.980 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ncccc3C)cc2F)n1 78989414 QROMCYSOHVMLJE-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB COc1cc(C)ccc1OCC(=O)N(C)c1ccc(C)cc1C 79160733 MNHKBCKEVNKWPM-UHFFFAOYSA-N 313.397 3.662 0 40 DHAB Cc1ccnc(SC2CCN(C(=O)OC(C)(C)C)CC2)c1 79440819 YVYSGZUDHQFZCQ-UHFFFAOYSA-N 308.447 3.882 0 40 DHAB COC(=O)c1cc(-c2ccccc2)cc(Br)c1O 80943385 NVEYPUXDUGVYHA-UHFFFAOYSA-N 307.143 3.608 0 40 DHAB C[C@H](NCc1ccc(Cl)nc1)c1cccc(-n2ccnc2)c1 83473198 GFHAKBYEDWSNAN-ZDUSSCGKSA-N 312.804 3.772 0 40 DHAB CCOCc1ccc(NC(=O)N2CCSC(C)(C)C2)cc1 83575039 MSCUKOZAHMVBBM-UHFFFAOYSA-N 308.447 3.582 0 40 DHAB CN(Cc1ccccc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 83864235 WGGFNTFYQNIIHQ-HXUWFJFHSA-N 322.452 3.872 0 40 DHAB COc1ccc(C(=O)[C@@H](C)Sc2ccc(Cl)nn2)cc1 84139396 NOKBRCVEZYFCBL-SECBINFHSA-N 308.790 3.502 0 40 DHAB C[C@H](CNC(=O)[C@H]1CC=CCC1)c1nc2ccccc2s1 84638299 DNRBXPNUZGKPFZ-OLZOCXBDSA-N 300.427 3.872 0 40 DHAB CCCC[S@](=O)Cc1ccc(OC)c(Br)c1 95410039 MIZMNEXMJXSGER-MRXNPFEDSA-N 305.237 3.507 0 40 DHAB Cc1ccc(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c(C)c1 95915157 IIAKMXRXYISTGM-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB COc1ccc2cc(C(=O)Nc3ccccc3O)c(C)nc2c1 95946781 LCBXHVOLAONCHC-UHFFFAOYSA-N 308.337 3.510 0 40 DHAB O=C(Cc1c[nH]c2ccc(Cl)cc12)NCC1CCSCC1 96416472 AZHRWKNYCQHAAL-UHFFFAOYSA-N 322.861 3.623 0 40 DHAB CCOc1cccc([C@H]2CC(c3cccs3)=NN2C(C)=O)c1 97105892 YBXMZQZBESCRIV-MRXNPFEDSA-N 314.410 3.844 0 40 DHAB CSc1ccccc1C(=O)NCCSCc1ccco1 138681577 RDKXLMBFYYONQH-UHFFFAOYSA-N 307.440 3.665 0 40 DHAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 222729072 RBMYRFAGWQWMGI-GOSISDBHSA-N 322.408 3.695 0 40 DHAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 224917475 ZQSYHIJHTVXGGI-UHFFFAOYSA-N 321.417 3.966 0 40 DHAB CC1(C)COc2ccc(C(=O)Nc3ccccc3F)cc2OC1 225359393 JKDPPJHIJUDLIC-UHFFFAOYSA-N 315.344 3.875 0 40 DHAB CCc1ccc(Nc2ccc(N)cc2C(=O)N2CCCC2)cc1 225467071 NGGCIRJMJOKWGM-UHFFFAOYSA-N 309.413 3.811 0 40 DHAB O=C(c1cc2ccccc2o1)N1CCC(Oc2ccncc2)CC1 252505978 VUJUSGBGZRWCOZ-UHFFFAOYSA-N 322.364 3.511 0 40 DHAB Cc1c[nH]c([C@H]2COCCN2Cc2cc3ccccc3s2)n1 257230334 GBTZSNHMBZNPIV-OAHLLOKOSA-N 313.426 3.506 0 40 DHAB FC(F)(F)c1cccc(CN2CCC[C@H]2c2cnccn2)c1 257311683 UKPRTRRWMZZQJM-HNNXBMFYSA-N 307.319 3.833 0 40 DHAB COc1ccc(-c2ccnc(N[C@H]3C[C@H](C)O[C@H](C)C3)n2)cc1 569556291 MVAGWSKXOLMDPA-AGGWBTHJSA-N 313.401 3.520 0 40 DHAB O=C(Cc1cccc2ccccc12)NC[C@H]1COc2ccccc21 576260547 JQEZALSDOQKXDH-KRWDZBQOSA-N 317.388 3.675 0 40 DHAB C[C@@H]1c2cccn2CCN1CCCOc1ccc(Cl)cc1 589177835 ZMGNSEZTPNFXQZ-CQSZACIVSA-N 304.821 3.987 0 40 DHAB CCOC(=O)c1cc(-c2cc(C(F)(F)F)ncc2Cl)on1 1857794156 ZBOFQRLVUULMJC-UHFFFAOYSA-N 320.654 3.586 0 40 DHAB CCc1ccc2nc(N3CC(Cn4ccnc4C)C3)sc2c1 1889186500 WNHABISJBOOTRE-UHFFFAOYSA-N 312.442 3.500 0 40 DHAB COc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1Cl 45206 MBRZVMOFLGEMNP-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB COc1ccc(CSc2nc3ccccc3[nH]2)cc1OC 202643 RERPZAQPUSQOAI-UHFFFAOYSA-N 300.383 3.872 0 40 DHAB O=C(C[C@@H](c1ccccc1)c1ccccc1O)N1CCCCC1 521581 ALVVMUBVGMUFLS-SFHVURJKSA-N 309.409 3.927 0 40 DHAB O=C(NC1CCCCC1)c1cccnc1NCc1ccccc1 1340570 DLUXXNKIOXSMIF-UHFFFAOYSA-N 309.413 3.756 0 40 DHAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)NC1CCCCC1)C2 1369836 LRLKVCCHWYVSDI-IRXDYDNUSA-N 323.550 3.579 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc2C1 1480336 JMDGIHMTKLBRCZ-ZDUSSCGKSA-N 315.800 3.692 0 40 DHAB CCOP(=O)(NNc1cccc(C(F)(F)F)c1)OCC 1995064 IAKIHZLWXOSEHH-UHFFFAOYSA-N 312.228 3.803 0 40 DHAB Cc1c(C(=O)OCC(=O)c2cccs2)oc2ccccc12 4463013 OCUYUSJDJQIXID-UHFFFAOYSA-N 300.335 3.842 0 40 DHAB CSc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 4517479 RFQLEUIWLRPBLO-UHFFFAOYSA-N 304.440 3.996 0 40 DHAB Cc1ccc(S(=O)(=O)CC(=O)c2ccc(Cl)cc2)cc1C 5031736 ANCHXQRBAYAEDT-UHFFFAOYSA-N 322.813 3.613 0 40 DHAB Cc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 5337298 NBJXNDQGKGZVFR-JNCYCUAHSA-N 318.420 3.632 0 40 DHAB CC(C)c1ccc(OCC(=O)NCCc2ccc(F)cc2)cc1 5476454 OUVYUNXNBVUTIU-UHFFFAOYSA-N 315.388 3.687 0 40 DHAB CCOc1cc(C=O)cc(Br)c1O[C@@H](C)CC 5656379 VDOZVUKUDSMKGO-VIFPVBQESA-N 301.180 3.838 0 40 DHAB Cc1ccc(NNC(=S)NCc2ccccc2)cc1Cl 6543457 YCUFNIYROZSXDV-UHFFFAOYSA-N 305.834 3.640 0 40 DHAB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccccc3)C2=O)s1 6621452 CNFNQQMSLUOUGS-FCQJRVMHSA-N 315.423 3.518 0 40 DHAB CCCc1cc(C(=O)Nc2ccc3c(c2)OCO3)sc1C 6947333 QMKPGVBTNMCTEJ-UHFFFAOYSA-N 303.383 3.990 0 40 DHAB C[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 7878382 ODFSFKFTSTZOOC-KBPBESRZSA-N 314.454 3.545 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(F)cc1Cl 8514973 IZSJODJTRYKHRZ-UHFFFAOYSA-N 319.763 3.985 0 40 DHAB O=C1CC[C@@H]2c3[nH]c4ccccc4c3[C@@H](c3ccccc3)CN12 8749660 LPTQRJZQGNFWNT-NVXWUHKLSA-N 302.377 3.977 0 40 DHAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 9317915 FRNDBIIQQIVOTA-OAHLLOKOSA-N 319.364 3.566 0 40 DHAB CN(Cc1ccccc1)C(=O)c1ccc(CN2CCCC2)cc1 10337502 AWZAMUFOUDDJMG-UHFFFAOYSA-N 308.425 3.555 0 40 DHAB Cc1ccc(OCC(=O)N(C)c2ccccc2)c2c1[C@@H](C)CC2=O 11052229 XNDGJPUDYWVWNU-AWEZNQCLSA-N 323.392 3.727 0 40 DHAB CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccc(OC)cc1 11556257 WWZGEQXVUJOBTM-QGZVFWFLSA-N 314.385 3.977 0 40 DHAB CN(C)[C@H](CNC(=O)c1cccc2ccccc12)c1ccsc1 13011248 UFVFIDXISALNKF-GOSISDBHSA-N 324.449 3.934 0 40 DHAB O=C(O)c1cccnc1SCc1ccc(Br)cc1 13188370 CXLHGQGBIGZCPK-UHFFFAOYSA-N 324.199 3.835 0 40 DHAB CCCCC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 13494934 QLAQSYZJKRUKND-SNVBAGLBSA-N 307.781 3.757 0 40 DHAB CC(=O)NCc1ccc(-c2csc(-c3cccs3)n2)o1 14159484 FYBVHKWJYMDINU-UHFFFAOYSA-N 304.396 3.768 0 40 DHAB Cc1sc2ncnc(Sc3nnc(C)n3C3CC3)c2c1C 14159903 VTXXKVJAFKWLEA-UHFFFAOYSA-N 317.443 3.694 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nnnc3N2)cc1C 15866365 VDIXLHZTZDCXCL-IRXDYDNUSA-N 323.375 3.575 0 40 DHAB Cc1cc2c(cc1Cl)C=CC1(CCN(C(=O)C3CC3)CC1)O2 19125737 YYKCURFIIJEYCB-UHFFFAOYSA-N 317.816 3.825 0 40 DHAB CCc1cc2c(=O)n(Cc3ccc(F)cc3Cl)cnc2s1 19356409 MQPUOALKOWZAEW-UHFFFAOYSA-N 322.792 3.861 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccco1)c1cccc(Br)c1 20030329 SMTYYYXMDMYMMQ-AEZGRPFRSA-N 320.186 3.933 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc(Br)cc1N 20520927 WSMBNEOWQTWMSM-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(C(F)(F)F)c2)SC1 20715423 KTUBNADSJKRVLT-LLVKDONJSA-N 313.304 3.853 0 40 DHAB O=C(CCn1ccc2ccccc21)N1CCc2sccc2C1 22285501 PEAUUYIWVYLTNY-UHFFFAOYSA-N 310.422 3.678 0 40 DHAB Cc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)o1 22402354 YLCBHEAELFOEDM-UHFFFAOYSA-N 304.396 3.954 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 23488639 BDHHGHNPQNFLPH-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1F 24096938 MVDIFYRMSMIOPC-UHFFFAOYSA-N 319.767 3.727 0 40 DHAB CC(=O)N1CCCN(Cc2sc3ccccc3c2Cl)CC1 27565529 YZUGQTLMBONINJ-UHFFFAOYSA-N 322.861 3.609 0 40 DHAB O=C(NC1CCCCC1)N1CC[C@H](c2nc3ccccc3o2)C1 35442848 JWRFUMWHSNKRHX-ZDUSSCGKSA-N 313.401 3.659 0 40 DHAB biogenic,in-vitro CCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(CC)cccc21 39198757 YJAXAFPOOSEKDP-GOSISDBHSA-N 301.386 3.773 0 40 DHAB in-vitro C[C@H](NC(=O)N[C@H](C)CCc1ccco1)c1cccc(F)c1 40067890 VROKXFAUNDPBGI-OLZOCXBDSA-N 304.365 3.800 0 40 DHAB COc1cccc2c(Nc3cccc(C(=O)O)c3)cc(C)nc12 41495462 IQRUZJJSQACELV-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB Cc1cc(C)cc(NC(=O)Cn2c(=O)c(C)cc3ccccc32)c1 44804507 DYWOMWDVBHLWNX-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CCC[C@H](C(F)(F)F)C1 44966755 DXLJJSQHSRSJSF-IUCAKERBSA-N 319.352 3.723 0 40 DHAB Cc1c(C(=O)OCCn2cccn2)oc2c1ccc1ccccc12 48311553 APFKODCREVRRFE-UHFFFAOYSA-N 320.348 3.948 0 40 DHAB Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 49060266 WDGIGRWIRVNYFI-HNNXBMFYSA-N 319.364 3.566 0 40 DHAB Cc1ccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)c(O)c1 52549299 XLWVWDSNYBPBHF-UHFFFAOYSA-N 313.382 3.713 0 40 DHAB O=C(NCCCc1ccccc1)NCCc1c[nH]c2ccccc12 54025727 XNAFVSPCYYDFTE-UHFFFAOYSA-N 321.424 3.642 0 40 DHAB C[C@@H]1CCC[C@@](O)(CNC(=O)Nc2cccc3ccccc23)C1 65566561 AQRGVGSAODSYOV-KUHUBIRLSA-N 312.413 3.903 0 40 DHAB CCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc(C(C)(C)C)s1 66739321 XARYYUCNUHBCJD-ZDUSSCGKSA-N 321.490 3.594 0 40 DHAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1cccs1 71282858 ZFXUBINCFXSODV-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB CN[C@@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72207676 LPJBZPQJQRTGFC-CVEARBPZSA-N 304.434 3.737 0 40 DHAB Cc1ccc(OCC(=O)N2CCCC[C@H]2c2nccs2)cc1 72272100 COAUNEVVHCAPGX-HNNXBMFYSA-N 316.426 3.584 0 40 DHAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](Cc2nccs2)C1 72384943 CNHOQAVPKZUQOU-LBPRGKRZSA-N 320.845 3.891 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N(Cc1nccn1C(F)F)C1CC1 76368971 JIOSXHAYTZXQQE-XQQFMLRXSA-N 323.387 3.596 0 40 DHAB COc1ccc(CN(C)c2nnc(C(C)(C)C)s2)cc1F 79109304 WTPDIALIYDTIBT-UHFFFAOYSA-N 309.410 3.620 0 40 DHAB Cc1ccc([C@H]2C[C@H]2C(=O)N2CCC(OCC(C)C)CC2)s1 84205330 RVDZNEUFOFMVHU-JKSUJKDBSA-N 321.486 3.824 0 40 DHAB CC(C)(C)OC(=O)[C@@H](N)Cc1cn(C(C)(C)C)c2ccccc12 85345425 IEHDUIWFVDMTSJ-HNNXBMFYSA-N 316.445 3.608 0 40 DHAB C[C@H](OC(=O)c1ncoc1[C@H]1CCCO1)c1ccc(F)c(F)c1 95449802 UXWPXZLFAYCCJP-TVQRCGJNSA-N 323.295 3.722 0 40 DHAB O=C(Nc1nccs1)c1ccc(Oc2cccc(F)c2)o1 96183935 KJQVBDVSHVFYJB-UHFFFAOYSA-N 304.302 3.920 0 40 DHAB C[C@@H](NC(=O)Nc1cccnc1)c1ncc(-c2ccccc2)o1 96417595 APXKSNVKUGZQIM-GFCCVEGCSA-N 308.341 3.619 0 40 DHAB Cc1cnn(Cc2ncc(-c3ccccc3Br)o2)c1 96428968 NUOLFPPNYDGCKA-UHFFFAOYSA-N 318.174 3.657 0 40 DHAB O=C(NCc1ccc(-c2cccnc2)cc1)[C@H]1CC1(Cl)Cl 96433311 UWNSVOMMPHYERD-CQSZACIVSA-N 321.207 3.559 0 40 DHAB COc1ccc(-c2nc(CNc3cccc(C(C)=O)c3)no2)cc1 96450103 ZQCYJCOVPDXPES-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 100831819 RSMCDIGUYNLUPN-ACDHPSKBSA-N 323.521 3.842 0 40 DHAB Cc1cccc(N[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 101275568 NXPWBMLRGFMEKW-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F 113950924 RWUDDLCJOWFPRU-OAHLLOKOSA-N 309.287 3.900 0 40 DHAB CN(c1ccccc1F)S(=O)(=O)c1ccc2ccccc2c1 119950289 RYWUCQAHGPTADM-UHFFFAOYSA-N 315.369 3.804 0 40 DHAB CC(C)n1cc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)cn1 191305430 JTDWWVINHXMTMA-LLVKDONJSA-N 320.462 3.709 0 40 DHAB Oc1cccc(NC2CCN(Cc3cccc(F)c3)CC2)c1 195576030 JUOQTEFLAGHTAG-UHFFFAOYSA-N 300.377 3.608 0 40 DHAB Cc1ccc(-c2ccc(/C=C\C(N)=O)o2)c(Br)c1 208754353 ZMQOODDVWKLSLN-DAXSKMNVSA-N 306.159 3.516 0 40 DHAB COC(=O)[C@@H]1CCC12CN(C(c1ccccc1)c1ccccc1)C2 218288583 XTPVLXNBYBAZAF-SFHVURJKSA-N 321.420 3.661 0 40 DHAB Cc1cccc(CCCNC(=O)Cc2cccc(Cl)c2)c1 222568287 CZTBNHKQRJXEKQ-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB CCc1ccc(CCC(=O)NCCSC2CCCC2)cc1 223111214 DSFHMRUKZXNTDB-UHFFFAOYSA-N 305.487 3.974 0 40 DHAB CCCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCCC1 225655734 CZLBCJTZUMBJMB-UHFFFAOYSA-N 305.418 3.990 0 40 DHAB CN(C)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N 226265538 ZJDAFASKTSKHQL-UHFFFAOYSA-N 311.429 3.885 0 40 DHAB C[C@H](O)c1cccc(NC(=O)c2ccccc2Br)c1 226274204 FCTAPBLJWJOSTQ-JTQLQIEISA-N 320.186 3.755 0 40 DHAB Cc1ccccc1C(C)(C)C(=O)N[C@@H](C)c1ccncc1F 513392990 AWMWUMLCPYZDMT-ZDUSSCGKSA-N 300.377 3.684 0 40 DHAB O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1cc2cc(F)ccc2[nH]1 584906721 BDEVKIDFPGPQJC-XJKSGUPXSA-N 312.319 3.732 0 40 DHAB O=C1N[C@H](SCc2ccc(Cl)cc2)Nc2ccccc21 28512 WWESANGQEBTABK-OAHLLOKOSA-N 304.802 3.712 0 40 DHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CC 52967 JFFMGMFKUZPAGD-UHFFFAOYSA-N 303.383 3.940 0 40 DHAB Cc1cc2c(c(=O)o1)SC(=C(C(F)(F)F)C(F)(F)F)O2 99051 RFOLBXYIUDLAFB-UHFFFAOYSA-N 318.194 3.769 0 40 DHAB Cc1cc(C)c(Cn2nc(C(C)(C)C)cc2C(=O)O)c(C)c1 128356 NJFBQPMGXYRKFX-UHFFFAOYSA-N 300.402 3.852 0 40 DHAB Cc1cccc(C)c1NC(=O)N[C@H]1CCN(C2CCCCC2)C1 353313 RVGMBJVDJFDQQR-INIZCTEOSA-N 315.461 3.832 0 40 DHAB CCc1nc2sc3c(c2c2nnc(SC)n12)CC[C@@H](C)C3 413751 CCBYFYYIYGCHTR-MRVPVSSYSA-N 318.471 3.748 0 40 DHAB c1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1 537692 XSDPCCRMXOGBLD-UHFFFAOYSA-N 314.414 3.813 0 40 DHAB O=C(COc1ccc2ccccc2c1)Nc1cccnc1Cl 832469 HXINCKKVYZZTLW-UHFFFAOYSA-N 312.756 3.906 0 40 DHAB CCOP(=O)(OCC)[C@H]1[C@H](C)N1C(=O)Nc1ccccc1 1655555 KDAFSJFRCHBLIE-BWGCTNMISA-N 312.306 3.515 0 40 DHAB COc1ccc2c(Cc3cc(Cl)ccc3O)cncc2c1O 1719365 IJYCYZBKWNLYDG-UHFFFAOYSA-N 315.756 3.899 0 40 DHAB biogenic COc1ccc(Cl)cc1NC(=O)COc1ccc(C)cc1 2051791 QESTUMHTNZVBEL-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3F)cc2)n1 3236265 QTTNBMDAOKQOAW-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB CC[C@@H]1CCCCN1C(=O)CSc1ncnc2ccccc12 3288398 DUIFENAIIDYVTL-CYBMUJFWSA-N 315.442 3.513 0 40 DHAB O=C(NC[C@@H]1COC2(CCCCC2)O1)Nc1ccc(Cl)cc1 4941239 WWZGWTFIFVKEIM-CQSZACIVSA-N 324.808 3.537 0 40 DHAB CC(C)(CNC(=S)Nc1ccccc1)NCc1ccccc1 5187929 OAEWRDIZGLSJAH-UHFFFAOYSA-N 313.470 3.541 0 40 DHAB Cc1cccc(OCCOC(=O)c2cc(Cl)ccc2O)c1 5746281 QHWISXUBVFMOHE-UHFFFAOYSA-N 306.745 3.590 0 40 DHAB Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc[nH]3)o2)c1 5794716 QPQDIBSVEHPXSL-UHFFFAOYSA-N 313.382 3.657 0 40 DHAB O=C1N[C@H](CCSc2ccc(Cl)cc2)Oc2ccccc21 6243244 MLXIIRIVRPWCBN-HNNXBMFYSA-N 319.813 3.971 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1CCCCCCC1 6357307 DTJAMNXLRWGEOR-HNNXBMFYSA-N 324.465 3.615 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)c1 6363682 ZHGBDVPQDXABAK-RBUKOAKNSA-N 313.397 3.613 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C 6455162 FXMYFPOBYHRDNB-BBWFWOEESA-N 305.462 3.813 0 40 DHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1F 6729176 MBOTUTYQGSSGGS-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB O=C(Nc1nonc1-c1ccc(Cl)cc1)c1ccccc1F 6747720 IKSHDUGSNDWCSY-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1cccs1 7420886 SFCSDKYJSQITIB-LLVKDONJSA-N 308.834 3.861 0 40 DHAB COc1ccc(C(=O)c2oc3ccccc3c2N)cc1Cl 8493080 NBBZCUOZAKQXGE-UHFFFAOYSA-N 301.729 3.908 0 40 DHAB COc1cccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)c1 9111033 ZVFKYCKYPDNLBH-UHFFFAOYSA-N 312.325 3.597 0 40 DHAB CC(=O)c1ccccc1OCCSc1nc2ccccc2[nH]1 12548118 LQVRQQFGBZYGOG-UHFFFAOYSA-N 312.394 3.937 0 40 DHAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cnccn1 12767120 NKMHIKLHFIPERO-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(O)cc1O 12801279 XBUHLYYYOGHYNE-UHFFFAOYSA-N 313.136 3.762 0 40 DHAB CCN(CC)C/C=C/[C@H]1CCCN1C(=O)OCc1ccccc1 12858692 ADHKCODGMUMRPH-HCWHUNCVSA-N 316.445 3.686 0 40 DHAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cccs2)cc1 12904632 GYBCNCONPPRHPF-WCQYABFASA-N 317.410 3.595 0 40 DHAB Cc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 13131316 QUCFOWADJYAOPP-IAGOWNOFSA-N 319.412 3.623 0 40 DHAB Cn1cc(/C=C2\N=C(c3ccccc3F)OC2=O)c2ccccc21 13731760 WWVAPDSGNZQELE-YBEGLDIGSA-N 320.323 3.662 0 40 DHAB CCCCCC1=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)C1 13897423 QWTUCVIXRRHBPM-CYBMUJFWSA-N 324.343 3.814 0 40 DHAB CN(C)CCCN(Cc1ccc2ccccc2n1)Cc1ccco1 13992874 JHNWQLHVCRSQKN-UHFFFAOYSA-N 323.440 3.782 0 40 DHAB CCCNC(=O)c1ccccc1NC(=S)Nc1ccccc1 14009802 UIRSLVLDVNEOMT-UHFFFAOYSA-N 313.426 3.635 0 40 DHAB CCc1ccc(C(=O)[C@H](C)Sc2nc(C(C)C)n[nH]2)cc1 14162242 XUENLTPORFDNHV-NSHDSACASA-N 303.431 3.854 0 40 DHAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(F)cc2)ccc1Cl 15361034 XNVTYDAJUPLUME-GFCCVEGCSA-N 321.779 3.871 0 40 DHAB Cc1c(-c2cccs2)nn2c(O)cc(-c3ccncc3)nc12 19557612 IBLIAJJUVQDBTR-UHFFFAOYSA-N 308.366 3.534 0 40 DHAB CSc1cccc(NC(=O)c2noc3c2CCCCC3)c1 20275325 FLZCNTAYVHNJET-UHFFFAOYSA-N 302.399 3.918 0 40 DHAB CCc1n[nH]c(Sc2ncc(C(F)(F)F)cc2Cl)n1 22530205 NSAAIBLPBPLEHG-UHFFFAOYSA-N 308.716 3.586 0 40 DHAB Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c(C)o1 32581712 YCFKTMSNIVCEDR-UHFFFAOYSA-N 307.733 3.573 0 40 DHAB CC(=O)c1ccc(C(=O)N(C)Cc2ccc(C)cc2C)s1 32781061 XMBKIERHHUYPMR-UHFFFAOYSA-N 301.411 3.840 0 40 DHAB c1ccc(OCc2nc3ccccc3n2CC2CCNCC2)cc1 36657663 YJECNQYLYIAXBG-UHFFFAOYSA-N 321.424 3.615 0 40 DHAB C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@]2(O)CC#N 39414729 AZFLJNIPTRTECV-MUGJNUQGSA-N 311.425 3.837 0 40 DHAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(Br)o1 44289048 UDHSYCVROKZWBF-UHFFFAOYSA-N 302.212 3.987 0 40 DHAB Cc1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1 51236414 UKRFUCHKELDFMA-UHFFFAOYSA-N 310.313 3.814 0 40 DHAB CCc1ccc(CCC(=O)NCCOc2cccc(C)c2)cc1 60612513 YYYGJPBSMNYUKF-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB CCCN(CCc1ccccn1)C(=O)CCC(=O)c1ccccc1 61436156 SXKFQMIXSXZZRK-UHFFFAOYSA-N 324.424 3.526 0 40 DHAB CC(C)(C)n1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 68292252 RZLSQUSBKCYRSZ-NEPJUHHUSA-N 317.355 3.945 0 40 DHAB CN(CCC(c1ccccc1)c1ccccc1)C[C@H]1CCC(=O)O1 68605943 VEQVCDZYARPSOU-LJQANCHMSA-N 323.436 3.846 0 40 DHAB Clc1cncc(N2CCC(c3nc4ccccc4o3)CC2)n1 68658470 MZKZQPMUEGBMIK-UHFFFAOYSA-N 314.776 3.655 0 40 DHAB Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(C)no2)c1 69876352 DKNGGBQOFRGXQB-UHFFFAOYSA-N 321.380 3.529 0 40 DHAB Cc1ccc(-c2nc(CN[C@H](C)[C@H](C)n3cccn3)cs2)o1 69921825 OGXNPVGQKCTXQJ-OLZOCXBDSA-N 316.430 3.647 0 40 DHAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3cnn(C)c3)co2)cc1 71799296 CTTKIBUPRMRZRI-SFHVURJKSA-N 322.412 3.721 0 40 DHAB CC(=O)N1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 72214233 JCAYQMBDJBIIGP-SFHVURJKSA-N 309.413 3.923 0 40 DHAB CC(C)C[C@@H](CCO)CNC(=O)c1cc2c(s1)CC[C@H](C)C2 72311635 OLUBUXGZBCSTMM-UONOGXRCSA-N 323.502 3.647 0 40 DHAB COc1ccc2ccccc2c1CNc1ccn(CC(F)F)n1 83970460 ZEXNENIGYGYJRL-UHFFFAOYSA-N 317.339 3.922 0 40 DHAB Cc1cccc([C@H]2CCCN2Cc2c(C)nc3sccn23)n1 93445059 UESQHNWSSWSOSS-OAHLLOKOSA-N 312.442 3.745 0 40 DHAB C[C@]1(c2cccs2)C[C@H]1CNC(=O)c1ccncc1Cl 95405213 BQLVTVQLLWJRJA-BONVTDFDSA-N 306.818 3.504 0 40 DHAB c1cncc(-c2cccc(CN(Cc3ncc[nH]3)C3CC3)c2)c1 95981740 BXHVPGTVEDGWSF-UHFFFAOYSA-N 304.397 3.636 0 40 DHAB O=C(CCn1ccc2ccccc21)NCc1ccnc(C2CC2)c1 96008104 RCXVTUUWJWDPIT-UHFFFAOYSA-N 319.408 3.620 0 40 DHAB CCCCOCCN(CCOCCCC)CCOCCCC 96180960 MKIXXGAFSXWETQ-UHFFFAOYSA-N 317.514 3.739 0 40 DHAB O=C(Nc1cccc2cn[nH]c12)c1scnc1C1CCCC1 97376294 OZZBAKASNJCMCH-UHFFFAOYSA-N 312.398 3.929 0 40 DHAB Cc1cccc2s/c(=N/C(=O)c3cccc(Cl)c3)n(C)c12 100878761 KLEZJZJPYCOJOF-FBMGVBCBSA-N 316.813 3.943 0 40 DHAB CC(=O)Oc1c2c(c(OC(C)=O)c3c1[C@H]1C=C[C@H]3C1)[C@@H]1C=C[C@@H]2C1 100930721 LPIARUDKPDDZRQ-KPWCQOOUSA-N 322.360 3.819 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 113959669 DQFNOADMHNNLAW-CABCVRRESA-N 313.397 3.648 0 40 DHAB CC(C)Cc1ccc([C@H](C)C(=O)NCCc2ccccn2)cc1 134572357 MCUGSCBSXZBFJN-INIZCTEOSA-N 310.441 3.743 0 40 DHAB COc1ccc(CCC(=O)N2CCCc3ccccc32)cc1C 223299515 RKWJZBMIYBPDOW-UHFFFAOYSA-N 309.409 3.916 0 40 DHAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccccc1 224359343 CHEYRIYUFZKVCM-UHFFFAOYSA-N 311.381 3.557 0 40 DHAB CCOC(=O)c1cc(NC(=S)NC(C)(C)C)ccc1Cl 225275041 XQNWVEJWTARZKT-UHFFFAOYSA-N 314.838 3.602 0 40 DHAB Cc1ccc(CSCCNC(=S)Nc2cccnc2)cc1 225294770 MYXPSUWEOLIXSW-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225611120 SAPRNJIRHVKXJE-CYBMUJFWSA-N 321.417 3.736 0 40 DHAB CO[C@@H](CNC(=O)c1ccccc1C)c1ccc(Cl)s1 225700074 AHQNSNSLSQVGHQ-LBPRGKRZSA-N 309.818 3.827 0 40 DHAB COc1ccc(CCC(=O)N2c3ccccc3C[C@@H]2C)cc1C 225724215 JEQKTKCQDIIYIK-HNNXBMFYSA-N 309.409 3.914 0 40 DHAB CCCNC(=O)NCCSCc1ccc(Cl)c(Cl)c1 225772062 LNOYNDMBKLBMFL-UHFFFAOYSA-N 321.273 3.936 0 40 DHAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(F)cc2)cc1 225773978 HJWULXMNMYNHBA-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1cccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)c1 226254311 GOGCBXHXJQZCCX-UHFFFAOYSA-N 309.413 3.820 0 40 DHAB O=C(O)c1ccc(COc2ccc3ccccc3c2CO)cc1 321753596 QWRPMJPWYYBJMO-UHFFFAOYSA-N 308.333 3.609 0 40 DHAB O=C(O)c1cc(C2CC2)nc2ccc(F)c(Br)c12 1857793896 RHQLLESKWWFBBI-UHFFFAOYSA-N 310.122 3.712 0 40 DHAB Brc1cc(-c2ccccc2)nc(Br)n1 2362801437 FNXYCTUXLKADEG-UHFFFAOYSA-N 313.980 3.669 0 40 DHAB Cc1cccc(N2C(=O)c3ccc(Br)cc3C2=O)c1 55182 XUGPMRSPFSHQPL-UHFFFAOYSA-N 316.154 3.558 0 40 DHAB CC(=O)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 195526 RTDTYCJFNIHWOS-UHFFFAOYSA-N 320.757 3.528 0 40 DHAB Cc1ccc(C)c(OCCCn2c(CO)nc3ccccc32)c1 1926872 XHQRSTMNBCSWKU-UHFFFAOYSA-N 310.397 3.615 0 40 DHAB CC(C)OP(=O)(OC(C)C)[C@@H](O)c1ccc(N(C)C)cc1 2278650 XQDRDULEIIKPRS-OAHLLOKOSA-N 315.350 3.787 0 40 DHAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1 2713242 NHZPPKPYDYKFGS-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB O=C(CNc1ccc(Cl)cc1)c1cc2ccccc2oc1=O 3214614 UBEUDISLWFIKKI-UHFFFAOYSA-N 313.740 3.741 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 3528648 ZSSKEGGTKAKKKK-UHFFFAOYSA-N 320.414 3.710 0 40 DHAB CCN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O 5552334 OVLFZFDXCCPZPF-YFHOEESVSA-N 312.188 3.505 0 40 DHAB O=c1oc2ccccc2cc1C1=NN[C@H](c2ccc(Cl)cc2)C1 5704898 WQDVHGGYPJKNJT-HNNXBMFYSA-N 324.767 3.885 0 40 DHAB CCc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5877916 WBHSWNUCHUQZOA-UHFFFAOYSA-N 313.441 3.713 0 40 DHAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(Cl)c[nH]1 9337127 AUBZRDKUFJCXSS-UHFFFAOYSA-N 320.776 3.587 0 40 DHAB COc1ccc2cc(CNC(=O)c3ccccc3F)ccc2c1 9872343 XKLTZOOGRFEBFL-UHFFFAOYSA-N 309.340 3.918 0 40 DHAB COc1cccc(CN(Cc2ccco2)Cc2[nH]cnc2C)c1 12116755 SVHFSBRROISVMT-UHFFFAOYSA-N 311.385 3.522 0 40 DHAB CCN(c1ccc(NC(=O)c2cn3ccccc3n2)cc1)C(C)C 12550854 XQMJSRPFKCFRLT-UHFFFAOYSA-N 322.412 3.821 0 40 DHAB COc1ccc2nc(NC(=O)c3cc(C)ccc3O)sc2c1 12819298 KFVWKKANCPEUFB-UHFFFAOYSA-N 314.366 3.571 0 40 DHAB COc1ccc(NC(=O)c2sccc2C)cc1OC(F)F 12855600 AKYVPYXZSMKJRI-UHFFFAOYSA-N 313.325 3.919 0 40 DHAB COc1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1 14239471 MIELBIUDIDUCLK-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB C[C@H](c1ccccc1)N(C)CC(=O)Nc1cc(F)ccc1F 14247838 ZQOUZWKWEFGRBC-GFCCVEGCSA-N 304.340 3.596 0 40 DHAB O=C(O)c1cc(-c2cnc3ccccc3n2)nc2ccccc12 16525396 AKIQQMSMSMAYIQ-UHFFFAOYSA-N 301.305 3.543 0 40 DHAB Clc1ccc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 19361712 IMWQSUXPHZJAIV-JZXOWHBKSA-N 304.865 3.646 0 40 DHAB O=C(N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1cccnc1 19373851 VAILTAFIIXZDQZ-XWSJACJDSA-N 306.409 3.784 0 40 DHAB Cc1cc(OCC(=O)Nc2cc(N)ccc2F)cc(C)c1Cl 19736543 UIXPLPIUYXENER-UHFFFAOYSA-N 322.767 3.696 0 40 DHAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)C(F)(F)F 20137031 AASDGLSVPPKYHW-UHFFFAOYSA-N 319.666 3.593 0 40 DHAB COc1cc(-c2cc(=O)c3cc(Cl)ccc3o2)ccc1O 20272902 WCRURCNZVJLRAD-UHFFFAOYSA-N 302.713 3.828 0 40 DHAB Brc1ccc2c(c1)CN(Cc1ccccc1)CO2 20437099 FURVLZKWBDTECA-UHFFFAOYSA-N 304.187 3.801 0 40 DHAB CCc1cccc(CC)c1NC(=O)c1c[nH]c2ccccc2c1=O 22233983 MKFJVLOWTYFESB-UHFFFAOYSA-N 320.392 3.905 0 40 DHAB CC(=O)Nc1ccc(SCc2noc(C(C)(C)C)n2)cc1 28011785 JDWWOOBZQVVDQJ-UHFFFAOYSA-N 305.403 3.618 0 40 DHAB O=C(COc1cccc2cccnc12)Nc1ccc(F)cc1F 28047725 MFPNJAUGKLMHJL-UHFFFAOYSA-N 314.291 3.531 0 40 DHAB Cc1ccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c(F)c1 29478327 RIWFWODKPBARFO-UHFFFAOYSA-N 317.408 3.785 0 40 DHAB COc1cccc(Oc2cc(-c3cccc(C(=O)O)c3)ncn2)c1 32918494 DITRJXRNOGGQDG-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CNC1CCCCC1)C2 35075057 BLSUEDKUVBIVGS-WOGUSJMUSA-N 323.521 3.891 0 40 DHAB OCc1c(-c2ccc(Cl)cc2Cl)nc2ccc(F)cn12 36244596 UXXDXTVYNTZUAC-UHFFFAOYSA-N 311.143 3.940 0 40 DHAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccccc1 36392032 LINNGUAOBZFSIZ-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CCc1cccc2c(-c3csc(CC(=O)OC)n3)c[nH]c12 40071793 JACAUNLTHWGGJM-UHFFFAOYSA-N 300.383 3.569 0 40 DHAB Cc1cc(C)cc(NC(=O)CCCc2nc(C(C)C)no2)c1 40515682 ZITSUQNINCQONT-UHFFFAOYSA-N 301.390 3.771 0 40 DHAB N[C@@H](CC(=O)O)c1ccc(-c2cc(Cl)ccc2Cl)o1 44216767 DEDMBDKHYZMPEV-JTQLQIEISA-N 300.141 3.728 0 40 DHAB Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(N)c1 70462907 SRWSBCSMJOFEHU-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 72386317 HLSPDTTXCAIIFW-ZDUSSCGKSA-N 311.376 3.597 0 40 DHAB CCOC(COc1ccc(Cl)cc1Br)OCC 79934770 VOBYSIYPAMPXSQ-UHFFFAOYSA-N 323.614 3.880 0 40 DHAB CN(C[C@H]1CCCO1)C(=S)Nc1ccc2ccccc2c1 83859188 VUEMCOKOSDDMHN-MRXNPFEDSA-N 300.427 3.647 0 40 DHAB O=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc(F)cc1 85472004 XLMIUZGERCIENP-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB CC(C)Cn1ccnc(S[C@@H](C)c2ccccc2F)c1=O 94151986 ZDRYLZZMCURMAN-LBPRGKRZSA-N 306.406 3.892 0 40 DHAB CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1cccc(OC)c1 95116602 PKSDGAPCVHDDPY-INIZCTEOSA-N 314.410 3.844 0 40 DHAB Fc1cccc(CN[C@@H](CN2CCCC2)c2ccccc2)c1F 95393944 YKDOEWJJJWBHKR-SFHVURJKSA-N 316.395 3.892 0 40 DHAB CN(CCc1ccccc1O)C(=O)Cc1ccc2c(c1)CCCC2 96010917 OQMOISSFBFCSBC-UHFFFAOYSA-N 323.436 3.515 0 40 DHAB C[C@@H](NC(=O)c1ccc(Br)o1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100625674 OSTCUPUZPHLOBB-DBIOUOCHSA-N 312.207 3.597 0 40 DHAB CC(C)(C(=O)Nc1nc2c(s1)C(=O)CCC2)c1ccccc1 102153620 FVGJZXUHIPWDAM-UHFFFAOYSA-N 314.410 3.578 0 40 DHAB Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 138381796 LTMJUKDTJBCEMN-PBHICJAKSA-N 307.459 3.584 0 40 DHAB Cc1ncsc1C(=O)N(CC(F)F)c1ccc(F)cc1 193856746 PKMLENRGIBTONI-UHFFFAOYSA-N 300.305 3.503 0 40 DHAB COc1ccc(C[C@@H](Sc2ccc(C)cc2)C(=O)O)cc1 225102952 JBVXVHLPTHCZLJ-MRXNPFEDSA-N 302.395 3.792 0 40 DHAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1ccccc1)C2 225487870 TYIPPDUNQRDOQU-SFHVURJKSA-N 322.408 3.726 0 40 DHAB biogenic,in-vitro CC[C@@H](C)OCc1nn(CC(F)(F)F)cc1Br 408716291 LBUIBYIPNKRDJF-SSDOTTSWSA-N 315.133 3.523 0 40 DHAB C[C@@H]1CN(C(=S)Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 79439 BYHXGPOWQFEEGT-NXEZZACHSA-N 318.364 3.511 0 40 DHAB O=C(O)/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1 261316 WRSQBHLTGLFCSJ-RUDMXATFSA-N 301.729 3.690 0 40 DHAB C[C@@H]1CCCN(C(=O)C2CCN(CC3CCCCC3)CC2)C1 317622 HDYKKIADXMYIEQ-MRXNPFEDSA-N 306.494 3.537 0 40 DHAB Cc1ccc2cc(C)c(SCC(=O)N3CCCCC3)nc2c1 421034 ABRDEXPSPJMBAN-UHFFFAOYSA-N 314.454 3.956 0 40 DHAB CCN(CC)CCC(C(=O)O)(c1ccccc1)c1ccccc1 1675360 ICDQPJSXTLJZIC-UHFFFAOYSA-N 311.425 3.789 0 40 DHAB CCCC[C@@H](CC)C(=O)Nc1ccc(O)c(C(=O)OCC)c1 2069864 HKCLCNVFWSPBIL-GFCCVEGCSA-N 307.390 3.724 0 40 DHAB CCCCOCCCNc1ncnc2c1[nH]c1ccc(F)cc12 2449096 IPODKBXNCFVOGL-UHFFFAOYSA-N 316.380 3.869 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1c(C)cccc1C 3102877 QKUHVSGNJXVPRD-OAHLLOKOSA-N 304.434 3.575 0 40 DHAB O=C(CCCOC(=O)c1cc2ccccc2[nH]1)c1ccccc1 3429945 JSHCQNQUVOGVRE-UHFFFAOYSA-N 307.349 3.988 0 40 DHAB Cc1cc2nnc(SC[C@@H]3CCCCO3)n2c2ccccc12 3495886 ALARRBJOTZMJSS-ZDUSSCGKSA-N 313.426 3.852 0 40 DHAB O=c1[nH]c2c(s1)[C@H]1c3ccccc3O[C@H]3CCC[C@@H](S2)[C@H]31 4484433 RPODNVZRIFIAQZ-RNJOBUHISA-N 317.435 3.604 0 40 DHAB COc1cccc(-c2cnc(NCc3ccccc3OC)n2C)c1 4678394 ZZFIUNPVMMPDRY-UHFFFAOYSA-N 323.396 3.716 0 40 DHAB Cc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)cc1 4894852 ZFLIWQHKZFILLJ-UHFFFAOYSA-N 309.394 3.551 0 40 DHAB C[C@@H]1CCCCN1c1ncnc2ccc(Br)cc12 5662497 MIKOVYSCZQXXGS-SNVBAGLBSA-N 306.207 3.771 0 40 DHAB Cc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1C 6205623 YGXZPKZOSHMBNB-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB CNc1nnc(SCc2cc(-c3ccccc3)on2)s1 7383006 IWWQXHHNKWKSEZ-UHFFFAOYSA-N 304.400 3.527 0 40 DHAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c(F)cccc12 7754495 USXPNQLOFDLRFI-UHFFFAOYSA-N 313.284 3.861 0 40 DHAB O=C(CN1CCCCCC1)Nc1ccc(Cl)c(Cl)c1 7781914 VOHCQPCUSBWGCQ-UHFFFAOYSA-N 301.217 3.808 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCCC[C@H]2C)cc1C 8140645 WSWJKDQFBXBMOZ-RHSMWYFYSA-N 301.430 3.961 0 40 DHAB CC(C)C(=O)Nc1cccc(C(=O)N2c3ccccc3C[C@H]2C)c1 9196866 CWGZLCMQLVQWNY-CQSZACIVSA-N 322.408 3.873 0 40 DHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccccn1 12679855 LJDUYIVQGAYFGW-INIZCTEOSA-N 312.369 3.802 0 40 DHAB Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C 14291437 NNWIOLSWUMGMOO-UHFFFAOYSA-N 309.818 3.899 0 40 DHAB Fc1cc2c(c(CN3CCC[C@@H]4CCCC[C@@H]43)c1)OCOC2 16047104 FWDWJYVLLCCLDI-GUYCJALGSA-N 305.393 3.847 0 40 DHAB CCc1nn2c(=O)c(CC)c(C)[nH]c2c1-c1ccc(Cl)cc1 17879103 ZCNIWKIVZPMTIZ-UHFFFAOYSA-N 315.804 3.776 0 40 DHAB CSc1ccc(CN(C)C(=O)c2ccc3[nH]cnc3c2)cc1 17972240 MVBPPGQNQILWMJ-UHFFFAOYSA-N 311.410 3.557 0 40 DHAB CCN(C(=O)c1ccc(F)cc1)[C@@H]1CN(C)C2(CCCCC2)C1 19695606 GSBYHCYWDRLEBU-KRWDZBQOSA-N 318.436 3.695 0 40 DHAB C1C2CC3CC1CC(C2)C3N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 19771305 DGBCPCJXUAXBRF-SOCZNNFPSA-N 314.517 3.617 0 40 DHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(C)cc1 20137491 XDFOHTBQLXFFDH-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB O=C(O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 20159995 IIBNHXPKQLRVQH-ZZXKWVIFSA-N 311.106 3.946 0 40 DHAB CCN(CC)CCCNc1ccc(-c2ccc(Cl)cc2)nn1 20739341 WEDNFSNSMVZSHT-UHFFFAOYSA-N 318.852 3.941 0 40 DHAB O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(Cl)c1 22152608 IBSVTXVNXHJDSO-UHFFFAOYSA-N 309.967 3.846 0 40 DHAB Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 23384066 KEBDAEJFGHPFBW-IBGZPJMESA-N 309.409 3.581 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C)cs1 27975865 QGMYUBQMBIWRKV-HNNXBMFYSA-N 316.426 3.736 0 40 DHAB C[C@@H]1CCc2nc(NC(=O)C(Cl)(Cl)Cl)sc2C1 28225668 SSYLPOTYBJTECD-RXMQYKEDSA-N 313.637 3.577 0 40 DHAB Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCc2sccc2C1 29810153 PRNQCJPYXGTKRZ-GFCCVEGCSA-N 318.417 3.581 0 40 DHAB Cn1ccnc1[C@@H](NCc1ccccc1F)c1ccc(F)cc1 30644470 XHBUUXKIUVTYCU-KRWDZBQOSA-N 313.351 3.578 0 40 DHAB CCN(CC)Cc1ccc(C(=O)Nc2ccccc2OC)cc1 30715713 DNQIIQIIZORKLQ-UHFFFAOYSA-N 312.413 3.789 0 40 DHAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1F 32983386 FJJYWIGNFNBREC-LLVKDONJSA-N 305.374 3.728 0 40 DHAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccccc3F)on2)o1 40087365 VVYMGFFMZPZEDP-UHFFFAOYSA-N 314.316 3.654 0 40 DHAB c1ccc(C[C@H]2CCCN2Cc2nc(-c3ccco3)no2)cc1 44088509 RQKNZQRLWLKFDZ-OAHLLOKOSA-N 309.369 3.537 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NC(C(C)C)C(C)C 44847013 SLIGNICACRVKKW-INIZCTEOSA-N 307.434 3.649 0 40 DHAB Cc1cc([C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)on1 44943969 KMDUWWAHZGLZGN-HNNXBMFYSA-N 309.369 3.975 0 40 DHAB CCc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 45382889 NCPXRGQMDJBQLV-ZDUSSCGKSA-N 313.397 3.757 0 40 DHAB Cc1ccc(CNC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 48064241 PENJOMHVSLYCFR-UHFFFAOYSA-N 323.400 3.642 0 40 DHAB c1ccc(Cc2nnc([C@H]3CCN(C4CCCCC4)C3)o2)cc1 49169818 BHUJNVNGMNCNMN-INIZCTEOSA-N 311.429 3.782 0 40 DHAB biogenic,in-vitro O=C(Nc1cc[nH]n1)c1csc(-c2ccc(Cl)s2)n1 49449425 IRNKMAMMXLOSDG-UHFFFAOYSA-N 310.791 3.500 0 40 DHAB Fc1ccccc1-c1nnc(SC[C@H]2CCCO2)n1C1CC1 58110625 BGEQOVYEJVODPP-GFCCVEGCSA-N 319.405 3.690 0 40 DHAB O=C1c2cccc3cccc(c23)N1C[C@@H](O)c1ccc(F)cc1 58264312 UACUTLDPPAHFEY-QGZVFWFLSA-N 307.324 3.673 0 40 DHAB COc1cc(Cl)ccc1C(=O)Nc1c(C)cnn1CC1CC1 65607260 ODCXUSAIGJQUDG-UHFFFAOYSA-N 319.792 3.516 0 40 DHAB CCOc1cccc([C@H](C)NC(=O)N(C)Cc2ccco2)c1 68843338 NMGKCJUHQAHRTR-ZDUSSCGKSA-N 302.374 3.581 0 40 DHAB C[C@@H](c1cccnc1)N(C)C(=O)NCCCc1cccc(F)c1 69148002 HVRDLSQRPZNVIK-AWEZNQCLSA-N 315.392 3.556 0 40 DHAB CC(C)(C)c1cc(NC(=O)c2ccc(-c3cnco3)cc2)no1 69539157 ULUXUDVLBZOABI-UHFFFAOYSA-N 311.341 3.879 0 40 DHAB COc1ccccc1CC(=O)N(C)[C@@H](C)c1sc(C)nc1C 71883173 XDXHCGQLJOBFNQ-LBPRGKRZSA-N 318.442 3.531 0 40 DHAB Cc1nn(C)c(C)c1CN[C@H]1CCSc2c(F)cccc21 73052027 ASFIILPESQKESB-HNNXBMFYSA-N 305.422 3.503 0 40 DHAB Cc1ccc(S[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 79440770 AMOUEFZHKUELOS-CYBMUJFWSA-N 308.447 3.882 0 40 DHAB COc1ccc(/C=C/c2nc3cc(Cl)ccc3[nH]c2=O)cc1 85389801 OBQZOZNSFRLQAY-XBXARRHUSA-N 312.756 3.756 0 40 DHAB CCC(=O)N1CCC(N[C@@H](c2ccccc2)C2CCC2)CC1 89941627 HQAFOAAGOYZGMF-IBGZPJMESA-N 300.446 3.518 0 40 DHAB CSCc1cccc(NC(=O)N(C)c2c(C)noc2C)c1 95414256 QWVDZDDGMVIOPE-UHFFFAOYSA-N 305.403 3.823 0 40 DHAB Cc1csc(NC(=O)c2nc(Cl)sc2C(C)C)n1 95473517 AAIOGVJSNUSWND-UHFFFAOYSA-N 301.824 3.937 0 40 DHAB C[C@H](NC[C@]1(C)CCCS1)c1cccc(N2CCOC2=O)c1 95969314 DXRGLGVREAZBFF-GUYCJALGSA-N 320.458 3.580 0 40 DHAB Cc1c(O)cccc1C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 95979036 WGFINHDFYIKBFC-ZMZPIMSZSA-N 313.372 3.893 0 40 DHAB Cc1cccc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)c1 96192601 RGZGUYPENFDPNX-UHFFFAOYSA-N 324.428 3.761 0 40 DHAB Cc1ccc(F)cc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 96416780 XORUDATYFCESNZ-MRXNPFEDSA-N 315.344 3.554 0 40 DHAB Fc1ccc(C2CC(N[C@H]3CCO[C@]4(CCSC4)C3)C2)cc1 97084851 XNCHQZOMGUYQMN-ZLGJRNTRSA-N 321.461 3.716 0 40 DHAB c1ccc2c(CN3CCO[C@@H](c4nccs4)C3)csc2c1 97200035 KIFOHADGZUWJFU-CQSZACIVSA-N 316.451 3.931 0 40 DHAB O=C(Nc1ccc2c(c1)NCCC2)c1coc(Br)c1 97228966 PXIUXWKQZLSDQW-UHFFFAOYSA-N 321.174 3.653 0 40 DHAB Cc1cccc(-c2nn3c(O)cc(-c4cccnc4)nc3c2C)c1 100219759 CGWXHVGLKIYWMW-UHFFFAOYSA-N 316.364 3.781 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102595282 DTMAZMKJRNMIRQ-IWSXDTNSSA-N 301.430 3.703 0 40 DHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCC12CC3CC(CC(C3)C1)C2 102701901 OCFMPECODOLVCP-IDHTWPPDSA-N 313.441 3.544 0 40 DHAB Cc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 102859671 BBYQKTMXYKRMRJ-MRXNPFEDSA-N 308.385 3.894 0 40 DHAB Cc1cc(Cl)ccc1NC(=S)NC(=O)c1ccccc1 143348253 OYQLSPSUQCHJJU-UHFFFAOYSA-N 304.802 3.775 0 40 DHAB Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1C(=O)O 164609387 KZMQKDNOJSLTAI-UHFFFAOYSA-N 302.277 3.912 0 40 DHAB Cc1ccc(C)c(Nc2ccc(N)cc2C(=O)N2CCCC2)c1 225465176 NVOIUWAFPANSMU-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB CCc1ncnc(Sc2nnc(-c3ccccc3C)o2)c1F 301918805 JXMUSNOWKYLYKC-UHFFFAOYSA-N 316.361 3.688 0 40 DHAB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1C1CCCC1 408772164 DQDNHORMGNITEQ-NTEUORMPSA-N 304.415 3.886 0 40 DHAB CCCCN1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 585100011 CGYBBJOIBKFKNH-HXUWFJFHSA-N 314.473 3.834 0 40 DHAB COc1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1O 817700 AIJLQRQWYKZVFT-SFHVURJKSA-N 307.353 3.545 0 40 DHAB CCCOC(=O)Nc1ccc(I)cc1C 1800734 SFBSPXRDSGXLGV-UHFFFAOYSA-N 319.142 3.558 0 40 DHAB Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)no1 2091856 WUEWYHHVNVVYGQ-UHFFFAOYSA-N 308.765 3.743 0 40 DHAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 2499092 PCMCKCSSYOAPJI-LLVKDONJSA-N 317.410 3.864 0 40 DHAB CC(C)n1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 2601783 IXWWHCUTTCNQGH-UHFFFAOYSA-N 301.434 3.712 0 40 DHAB CC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 4340109 CBMXVXGRPYDGDE-UHFFFAOYSA-N 308.333 3.736 0 40 DHAB biogenic COc1ccc2[nH]c(C(=O)N3CCc4ccccc43)c(C)c2c1 5348663 YKMKXUMGTOSYLT-UHFFFAOYSA-N 306.365 3.688 0 40 DHAB COc1ccc([C@](C)(O)c2cnc(C)n2Cc2ccccc2)cc1 5504233 KQLHVDIVHQSWPS-FQEVSTJZSA-N 322.408 3.504 0 40 DHAB C[C@@H](Sc1nnc2ccccn12)C(=O)c1ccc2c(c1)CCC2 6114796 XVJJJPZHNASPSI-GFCCVEGCSA-N 323.421 3.582 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2c[nH]c3ccccc23)cc1 6115060 SZOJCWCCUFMRRW-CYBMUJFWSA-N 322.364 3.660 0 40 DHAB O=C(CSc1nnc(Nc2ccccc2)s1)c1ccc[nH]1 6257971 GGLUDWQVXLCDLG-UHFFFAOYSA-N 316.411 3.585 0 40 DHAB CC(C)/N=C1\S/C(=C/C=C/c2ccco2)C(=O)N1C(C)C 6324815 QNCVNWPWBWBLRY-ISBVQPHPSA-N 304.415 3.925 0 40 DHAB Fc1ccc(Cc2nn3c(-c4ccccc4)nnc3s2)cc1 6344846 LSOVXNRTGJNKMD-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB CCOc1ccccc1OCCC(=O)Nc1ccc(OC)cc1 6618618 WXFAGYQREFOGKY-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB CC[C@@H](C)NC[C@H](O)COc1cc(C)c(Cl)cc1C(C)C 7015563 SLEVKNBKEAGVQC-KGLIPLIRSA-N 313.869 3.900 0 40 DHAB CC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1 8163002 PXFOOFMRYKVUTO-QGZVFWFLSA-N 321.376 3.983 0 40 DHAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccco1 8359972 LOOYRSZLGMZRTI-JTQLQIEISA-N 313.275 3.555 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(OC(F)F)cc1 8490114 UUPXPBHWCJEXFC-FMUZQAFBSA-N 309.356 3.996 0 40 DHAB Cc1c(C(=O)COC(=O)c2ccco2)sc2ccccc12 8526359 QLYODHPANFGBGY-UHFFFAOYSA-N 300.335 3.842 0 40 DHAB Cc1cccc(NC(=O)CSc2nc3ccccc3n2C)c1 8808206 JKZQLCZKDRJDBQ-UHFFFAOYSA-N 311.410 3.613 0 40 DHAB CCc1ccccc1NC(=S)NC(=O)c1cccc(F)c1 9064037 UIFYKFOWHPNTOS-UHFFFAOYSA-N 302.374 3.515 0 40 DHAB O=C(NCCc1ccco1)c1cc(C2CC2)nc2ccccc12 9377830 INEAGZVJBKAECX-UHFFFAOYSA-N 306.365 3.678 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2ncsc2c1 9503957 JMVWFJVUEWPQJC-UHFFFAOYSA-N 321.405 3.750 0 40 DHAB Cc1c(C(=O)NC2CCCCC2)oc2c1[C@H](O)CC(C)(C)C2 9575898 WJZHAIDAQUQDGY-CYBMUJFWSA-N 305.418 3.656 0 40 DHAB O=C(NCCc1cccc(Cl)c1)N1CCc2ccccc2C1 9868258 UGHNIMACWWXMSH-UHFFFAOYSA-N 314.816 3.650 0 40 DHAB O=C(Nc1ccncc1)c1cc2c(s1)-c1ccccc1OC2 12534310 XUYQEISXCWWTND-UHFFFAOYSA-N 308.362 3.955 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1Cl 12681402 IFTJUOWBPAEPAB-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB O=c1[nH]c(CSc2ccc3c(c2)CCC3)nc2ccsc12 12774734 OSLQNRADXPLGEN-UHFFFAOYSA-N 314.435 3.766 0 40 DHAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N[C@H](C)c1cccs1 12907266 BQNAAVKGLGICED-OLZOCXBDSA-N 320.433 3.757 0 40 DHAB CC(C)c1ccc(OCC(=O)N[C@H]2CCc3ccccc32)cc1 13015685 WYXQZOJHXOOGCJ-IBGZPJMESA-N 309.409 3.993 0 40 DHAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1 14796041 RDQWPPBOOURFNG-UHFFFAOYSA-N 310.397 3.777 0 40 DHAB COc1ccc(-c2cc(C(=O)Oc3ccccc3C)no2)cc1 15833085 UVPZQYZTCOOHOA-UHFFFAOYSA-N 309.321 3.878 0 40 DHAB CCCc1sc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CC 16680337 JSIIRKYNYLUOTO-UHFFFAOYSA-N 316.426 3.614 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCc2ccccc2C1 20492554 ONPZBKIZCCBVKH-LJQANCHMSA-N 309.409 3.737 0 40 DHAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cccc(Cl)c1 22134355 ADZMRBMGHFSHDK-INIZCTEOSA-N 321.829 3.770 0 40 DHAB CNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 23028343 YAFIQYNZXZINHA-UHFFFAOYSA-N 314.435 3.948 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N(C2CC2)[C@@H](C)C2CC2)c1C 30337029 PNTLRIILNFYJBE-HNNXBMFYSA-N 321.486 3.872 0 40 DHAB Cc1ccsc1CN(C)C(=O)c1ccc(-n2cccn2)cc1 32721340 YFOPRXPPWMIWSG-UHFFFAOYSA-N 311.410 3.514 0 40 DHAB CC(C)c1ccccc1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 32904793 YBXVWNQTNRRDLF-OAHLLOKOSA-N 324.424 3.957 0 40 DHAB CCn1c(C)nnc1SCc1nc(-c2ccccc2)oc1C 33130641 IPFXHIDAVRIMPM-UHFFFAOYSA-N 314.414 3.862 0 40 DHAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)c1ccc[nH]1 35355457 NLWLGFODQDNBTP-IBGZPJMESA-N 322.433 3.907 0 40 DHAB Cc1ccc(SCC(=O)Nc2nnc(C(C)C)o2)c(C)c1 36832364 CIWSAWXBFYUZLE-UHFFFAOYSA-N 305.403 3.541 0 40 DHAB OCCn1c(COc2cccc3ccccc23)nc2ccccc21 40389146 VKAXQEIHGRMQMW-UHFFFAOYSA-N 318.376 3.761 0 40 DHAB CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 40525408 DKVGVDHRSXMJGM-UHFFFAOYSA-N 317.776 3.620 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1cccc(OC(F)F)c1 44442608 KGWCOGCTJYEDQJ-UHFFFAOYSA-N 318.279 3.610 0 40 DHAB Cc1cc(CNC(=O)CC(c2ccccc2)c2ccccc2)no1 48985337 GQTKTEMDPSJGGU-UHFFFAOYSA-N 320.392 3.821 0 40 DHAB O=C(NC1CC1)c1ccc(NCc2ccccc2F)cc1Cl 55873132 KOVNCHDTDXUKOR-UHFFFAOYSA-N 318.779 3.983 0 40 DHAB CC[C@H](c1ccc(Cl)cc1)N1CCC(CNC(C)=O)CC1 57862081 LHLLPNSIRHWJSK-QGZVFWFLSA-N 308.853 3.639 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 58201461 GBXYMGGFPPXWKM-UHFFFAOYSA-N 321.380 3.779 0 40 DHAB Cc1nn(C)c2c1[C@@H](c1ccc3ncccc3c1)SCC(O)=N2 61718296 AYNIFBNNULUBJI-MRXNPFEDSA-N 324.409 3.701 0 40 DHAB Cc1nc(-c2ccc(OC(=O)CC(C3CC3)C3CC3)cc2)no1 65042249 XZJAPVKLJMSDAZ-UHFFFAOYSA-N 312.369 3.777 0 40 DHAB C/C=C/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 69421215 QCEIWIDGTSLZKT-RYNWYESTSA-N 309.413 3.852 0 40 DHAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)C1CCCC1 69772204 RSVUMTNMUXMTFZ-CQSZACIVSA-N 307.365 3.512 0 40 DHAB Cc1ccc(C)c(CC(=O)Nc2ccccc2-c2nc(C)n[nH]2)c1 69816308 VJESDLXMRPPDIH-UHFFFAOYSA-N 320.396 3.578 0 40 DHAB CCc1nc(CSc2nc(-c3ccccc3F)n[nH]2)cs1 71794619 CJNIPIIWRRENKA-UHFFFAOYSA-N 320.418 3.922 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1 71902851 KDFHCNZHOAJJDT-CJNGLKHVSA-N 318.417 3.569 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccn(-c4ccccc4)n3)cc2o1 73914805 VUUPEERSBCDYAE-UHFFFAOYSA-N 318.336 3.574 0 40 DHAB CCN(Cc1c(F)cccc1F)C(=O)c1scnc1C1CC1 89790861 OWPSZRUWQUCODS-UHFFFAOYSA-N 322.380 3.961 0 40 DHAB CC(C)c1csc(NC(=O)c2ccnc(OC3CCC3)c2)n1 89893535 NQIRLAFDSQSQLE-UHFFFAOYSA-N 317.414 3.845 0 40 DHAB Cc1cc2c(NC[C@H]3CC(=O)Nc4ccccc43)ncnc2s1 90106308 IPTWFOLYWHHCTR-LLVKDONJSA-N 324.409 3.538 0 40 DHAB Fc1cccc(CNCCSC(F)(F)C(F)(F)F)c1 95918309 IQBBNFZRKQAPDY-UHFFFAOYSA-N 303.271 3.804 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccn(-c2ccc3ccccn23)n1 96038023 ONNJPKWDLBJQOA-UHFFFAOYSA-N 320.327 3.516 0 40 DHAB COC[C@@H]1COCCC12CCN(Cc1ccccc1Cl)CC2 96106326 DUJXOAQVUZSHNP-MRXNPFEDSA-N 323.864 3.605 0 40 DHAB CSc1nsc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)n1 96475966 OFYSVYZRJWMACB-QMMMGPOBSA-N 324.431 3.611 0 40 DHAB COC(=O)Nc1cccc(N[C@@H](C)c2cnn(C(C)C)c2)c1 97037484 KSHUVABAPWIEOH-LBPRGKRZSA-N 302.378 3.815 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(C)c(C)c1 101348322 IJXFQCYNUDFFPF-KRWDZBQOSA-N 306.365 3.525 0 40 DHAB O=C1CCc2cc(NC(=O)N3CCCCCCC3)c(F)cc2N1 120626666 VPBLRZBDZGHELG-UHFFFAOYSA-N 319.380 3.508 0 40 DHAB CC1(C)C[C@H](NC(=O)Cc2ccccc2F)c2ccccc2O1 121595621 MXZQREGQTRRJSX-INIZCTEOSA-N 313.372 3.787 0 40 DHAB CCCO[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111154 ULGFSFKJYLXFJM-QGZVFWFLSA-N 300.354 3.901 0 40 DHAB Cc1ccc(CCC(=O)NCCCN(C)c2ccccc2)cc1C 225133559 GPCNUXJMBRABSW-UHFFFAOYSA-N 324.468 3.879 0 40 DHAB O=C(Nc1ccc(F)cc1)c1snnc1-c1cccs1 225788077 GEFYQFCLPMWGGO-UHFFFAOYSA-N 305.359 3.658 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c(C)n1 225894062 ZUZMJDORPKDTRS-GOSISDBHSA-N 322.449 3.959 0 40 DHAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cn1 225899925 CFXVBFSXKUWWLO-RDTXWAMCSA-N 320.433 3.794 0 40 DHAB CC1(C)CC(=O)[C@@H]2C(c3ccc(Cl)c(Cl)c3)=NN[C@@H]2C1 228978770 IHOACUOGBCJMIG-DGCLKSJQSA-N 311.212 3.675 0 40 DHAB C[C@H]1CN(C(=O)c2ccnc(C3CC3)c2)c2ccccc2N=C1O 329263338 BPPWGTOMPNTVRZ-LBPRGKRZSA-N 321.380 3.844 0 40 DHAB COc1ccc(OC)c(C(=S)NCc2ccc(Cl)cc2)c1 408573873 PKVNVYHYPFLSND-UHFFFAOYSA-N 321.829 3.823 0 40 DHAB COc1ccc(Nc2nc3cc(CCC(=O)O)ccc3o2)cc1 584907121 FGGYSUCNEMMERS-UHFFFAOYSA-N 312.325 3.597 0 40 DHAB Cc1nc2ccc(Cl)nn2c1C(=O)c1ccc(Cl)cc1 152987 XQHKFAHWEJLFKI-UHFFFAOYSA-N 306.152 3.576 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 282818 MADHBRSPSDIBAY-UHFFFAOYSA-N 305.399 3.619 0 40 DHAB O=S(=O)(NCc1ccc(Cl)cc1Cl)c1cccs1 378899 QBBUOJIPMSQENA-UHFFFAOYSA-N 322.238 3.533 0 40 DHAB Cc1cc(C)c2c([C@H]3Oc4ccccc4[C@@H]3O)cc(=O)oc2c1C 490059 LWUSYRIVKKUHAD-AZUAARDMSA-N 322.360 3.885 0 40 DHAB biogenic CCC(C)(C)NC[C@@H](O)COc1cc(Cl)ccc1Cl 2646002 TWACBRNGJPHJQR-LLVKDONJSA-N 306.233 3.511 0 40 DHAB CC(C)C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 3234101 JGKVRNJFLXBUBN-UHFFFAOYSA-N 324.591 3.785 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)c1c(F)cccc1Cl 3278969 DQBJIIXDCHFQFE-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB CCCNc1ncnc2c1cnn2-c1cc(Cl)ccc1C 4354749 LQZFADNHRWQASD-UHFFFAOYSA-N 301.781 3.599 0 40 DHAB O=C(O)c1ccccc1NCc1ccc(Br)cc1 5590714 XZMCYKMSQBKPGT-UHFFFAOYSA-N 306.159 3.759 0 40 DHAB Nc1c(-c2nc3cc(Cl)ccc3o2)cnn1-c1ccccc1 5604621 BWRFOEQLXKTRGY-UHFFFAOYSA-N 310.744 3.916 0 40 DHAB CC[C@H](C(=O)Nc1ccc(N(C)C(C)=O)cc1)c1ccccc1 5663667 UYUMYVFDJJDBHM-SFHVURJKSA-N 310.397 3.802 0 40 DHAB CC1(C)CC(=O)OC/C=C/C[C@@H](Cc2ccccc2)C(=O)C1 5734426 OGKONHYBENQTGO-MOEXGYKKSA-N 300.398 3.724 0 40 DHAB COc1ccc(NC(=O)c2ccc(F)cc2Cl)c(OC)c1 6288973 YPZAGHAZAGUYCU-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 6880656 IUNMEJTVZRKJBZ-GJZGRUSLSA-N 301.386 3.590 0 40 DHAB CSc1ccc(Cl)c(C(=O)N[C@@H](C)c2ccncc2)c1 7183992 HTPDUOCOTMBPPO-JTQLQIEISA-N 306.818 3.948 0 40 DHAB C[C@H](NC(=O)CN1C[C@H](C)C[C@@H](C)C1)c1cc2ccccc2o1 7444949 GOERPSNRBVKGSI-KFWWJZLASA-N 314.429 3.588 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NCCC1=CCCCC1 8041776 KLGASZMPIZGPJL-MRXNPFEDSA-N 305.393 3.990 0 40 DHAB Cc1ccc(OCC(=O)NCCSc2ccccc2)cc1C 8361060 PHDLUXISCBIHND-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB Cc1ccnc(-n2c(SC(C)C)nc3ccccc3c2=O)c1 9368773 DJIYHLYCIBRPQF-UHFFFAOYSA-N 311.410 3.590 0 40 DHAB O=C(Nc1nccs1)c1ccc(-n2cnc3ccccc32)cc1 9914027 VDOYGKOPLADMTD-UHFFFAOYSA-N 320.377 3.734 0 40 DHAB Cc1ccc(Cn2c(CO)cnc2SCCC(C)C)cc1 10336194 WTGHRVWWDOEHIT-UHFFFAOYSA-N 304.459 3.870 0 40 DHAB Cc1cccc(C)c1OCCCn1c(C=O)nc2ccccc21 11735043 OBANWHRXKPYAHQ-UHFFFAOYSA-N 308.381 3.935 0 40 DHAB COc1ccc2cnc([C@H]3CCCN(C(=O)C4CC4)C3)cc2c1C 12187835 JNEZHAUMPLRTGD-INIZCTEOSA-N 324.424 3.668 0 40 DHAB CCCOc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1 14380489 WKRFTVLYRAMPCG-UHFFFAOYSA-N 319.430 3.778 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)s1 15797242 YXVOQZQAVWDTEK-BDAKNGLRSA-N 302.237 3.819 0 40 DHAB CCOC(=O)c1sc(-c2nc3ccccc3nc2C)nc1C 16683057 SXPNWQHFRGDGGE-UHFFFAOYSA-N 313.382 3.547 0 40 DHAB O=C(O)COc1ccc(/C=C\c2ccnc3ccccc23)cc1 17024314 OGWRIWKRKUQRKV-YVMONPNESA-N 305.333 3.869 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(N)ccc2F)c1 19736579 QFEJSJOHGJZSMY-UHFFFAOYSA-N 316.376 3.857 0 40 DHAB CCOc1ccccc1NC(=O)c1noc2c1CCCCC2 20190249 VTNXTVGDHGVRBU-UHFFFAOYSA-N 300.358 3.595 0 40 DHAB CCCCC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 25346117 QFTIQHNYYZGRTG-NEPJUHHUSA-N 320.458 3.818 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCCC3)cn2)C1(C)C 25665959 NIUADVHLGSHPRS-WBVHZDCISA-N 313.445 3.859 0 40 DHAB CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 27525890 SXXSXXICJDGGTO-INIZCTEOSA-N 324.409 3.692 0 40 DHAB Fc1ccccc1Cn1c(CN2CCCC2)nc2ccccc21 27789163 DLTBBWMWTYMCGF-UHFFFAOYSA-N 309.388 3.820 0 40 DHAB O=C([C@H]1CC=CCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 27999018 YELPYFKINZKYTJ-HNNXBMFYSA-N 309.413 3.625 0 40 DHAB CCOCc1ccccc1CNC(=O)c1ccccc1OCC 30179473 KZYGGSWMPBENLT-UHFFFAOYSA-N 313.397 3.552 0 40 DHAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cccc(Br)c1 30466451 MOKIMKJGJUFKEU-VXGBXAGGSA-N 308.219 3.983 0 40 DHAB Cc1ccc(CN[C@H](c2ccc(F)cc2)c2nccn2C)cc1 30644425 FHHJTBGPCKJRBM-GOSISDBHSA-N 309.388 3.747 0 40 DHAB COc1ccc(CNC(=O)N[C@H](C)c2cc(C)sc2C)cc1 31662768 OOXYPJRJLXJIRL-GFCCVEGCSA-N 318.442 3.934 0 40 DHAB c1ccc(CN(Cc2ccccc2)c2ncnc3[nH]ncc23)cc1 31809161 DKRNZTUEOICGLP-UHFFFAOYSA-N 315.380 3.560 0 40 DHAB O=C(Nc1ncccc1O)c1ccc(-c2ccc(F)cc2)s1 32721949 DAIWYVLHHYASEO-UHFFFAOYSA-N 314.341 3.907 0 40 DHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccsc1 40112246 QQXFLTWQHQMOKM-UHFFFAOYSA-N 300.383 3.657 0 40 DHAB O=C(c1cccs1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 40817605 QZKQXVHZIUUIAN-GFCCVEGCSA-N 311.410 3.644 0 40 DHAB CCC[C@H](C)NC(=O)CN(C)Cc1csc2ccccc12 46089533 GUOMTOGQOZAPKK-ZDUSSCGKSA-N 304.459 3.638 0 40 DHAB O=C(NCCc1cccs1)Nc1cccc(OC(F)F)c1 47906897 BZGYOJAFLVVWRM-UHFFFAOYSA-N 312.341 3.714 0 40 DHAB Nc1ccc(Br)cc1-c1nc(-c2cccs2)no1 50208584 LPQZRGQXQLUANP-UHFFFAOYSA-N 322.187 3.810 0 40 DHAB Cc1nc(-c2ccccc2)n(CN(Cc2cccs2)C2CC2)n1 58192585 IOKWEIIPYUECQL-UHFFFAOYSA-N 324.453 3.937 0 40 DHAB CC1(C)CC(NC(=O)NC2CCCCCCC2)CC(C)(C)N1 58724585 WXZVPUXGSHTMSW-UHFFFAOYSA-N 309.498 3.708 0 40 DHAB C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)c2cc(Cl)ccc2S1 60129463 NYDGYWVTDGJIQH-GHMZBOCLSA-N 311.834 3.594 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)CN(CC(F)F)C1CC1 69844381 LSAHIRAPSYSZSB-UHFFFAOYSA-N 310.388 3.786 0 40 DHAB CCCN(CC1CC1)C(=O)Nc1cccc(NC(=O)OC)c1 69845280 XKKUDUIVGROKJN-UHFFFAOYSA-N 305.378 3.519 0 40 DHAB CC(C)[C@H](NC(=O)N1CCCCCCC1)c1nc(C2CC2)no1 69874356 FGZJOLMPFQRECE-AWEZNQCLSA-N 320.437 3.620 0 40 DHAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2ccsc2)C1 69947125 VTGLAPMDVOEJEY-CQSZACIVSA-N 303.431 3.545 0 40 DHAB C[C@@H](CC(=O)N1CCCC[C@H]1c1nccs1)n1cccc1 72286830 HXGLKXALJVOSOO-KBPBESRZSA-N 303.431 3.650 0 40 DHAB CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C(=O)OC)s1 84721676 FXHYPQJUDALXKX-RYUDHWBXSA-N 309.431 3.576 0 40 DHAB C[C@H](N[C@H](C)CCn1cccn1)c1cccc(Br)c1 95996211 KAOMJMHNIJXKMG-OLZOCXBDSA-N 322.250 3.775 0 40 DHAB COc1cc(C=O)ccc1OCCSCc1ccc(F)cc1 96191227 KFWMEJIQWYHQRG-UHFFFAOYSA-N 320.385 3.959 0 40 DHAB CC(C)c1nnc(NCc2cn(C)nc2C2CCCCC2)o1 97371631 AIYMMOPFIUNBHL-UHFFFAOYSA-N 303.410 3.586 0 40 DHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100100483 RCEYFYWIRNYBBS-GZOSKZMVSA-N 309.409 3.912 0 40 DHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccccc1Cl)n2C 100812026 QTIXPAGPIYRLQD-FBMGVBCBSA-N 316.813 3.943 0 40 DHAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCC[C@@H](c2nc3ccccc3o2)C1 102798803 KKUPGGATJAVMQL-KLHDSHLOSA-N 324.424 3.970 0 40 DHAB C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1C2)c1cccc(N2CCCC2)c1 110676236 ZXEIJCGFVAMMDI-VKJFTORMSA-N 313.445 3.542 0 40 DHAB CCO[C@@H](C)c1nc(CN[C@@H]2CC(C)(C)OC2(C)C)cs1 119894167 YPXWPPSSTROEPO-WCQYABFASA-N 312.479 3.676 0 40 DHAB CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)nc1C 162253112 YLMGLEPOBCOGPS-OAHLLOKOSA-N 305.422 3.511 0 40 DHAB CSC[C@@H](C)C(=O)N(Cc1ccsc1)c1cccnc1 193516605 KNVWLFIFAUQPIQ-GFCCVEGCSA-N 306.456 3.675 0 40 DHAB O=C(O)CCc1ccc(-c2ccc(Br)cc2F)o1 216923431 GNTJWSGAUIFHMJ-UHFFFAOYSA-N 313.122 3.865 0 40 DHAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@H]1CN1CCCC[C@@H]1C 221933697 BMQMLQFXJOOBME-LRDDRELGSA-N 319.836 3.553 0 40 DHAB CCCCOCc1cc(C(=O)NCc2ccco2)ccc1OC 224434824 UYNQLXOVRFFZTN-UHFFFAOYSA-N 317.385 3.535 0 40 DHAB CCC[C@H](C)NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 225915779 CUNVRQBTNBMTQB-LBPRGKRZSA-N 312.417 3.755 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 257319929 VUQMZXGDKGEOTR-LLVKDONJSA-N 310.323 3.516 0 40 DHAB C/C(O)=C1\C[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 390822405 TUGDEWADZKLGJL-OEVSHUNASA-N 322.408 3.649 0 40 DHAB CCCOc1ccccc1/C=C1/SC(=O)N(CCC)C1=O 408604472 USODYPDYVYQRBC-SDNWHVSQSA-N 305.399 3.922 0 40 DHAB Cc1ccc(S(=O)(=O)c2c(C=O)ccc3ccccc23)cc1 514279724 BQUUIWUAVFMOGA-UHFFFAOYSA-N 310.374 3.794 0 40 DHAB O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)[C@H]1CC=CCC1 521396234 ACONGWBHKICUPJ-AWEZNQCLSA-N 318.442 3.875 0 40 DHAB Cc1[nH]nc2ncc(CNc3cccc4c3OC(C)(C)C4)cc12 530545926 JXRXRMXEUCVJSD-UHFFFAOYSA-N 308.385 3.592 0 40 DHAB O=C(c1c[nH]c2cc(F)cc(Br)c12)C(F)(F)F 725239493 RFRHQEJQCWIQSA-UHFFFAOYSA-N 310.044 3.815 0 40 DHAB Brc1ccc2c(c1)C[C@H](NCc1ccccc1)CO2 1565505281 JUSSVOVSURWKOO-HNNXBMFYSA-N 318.214 3.542 0 40 DHAB CC1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 213242 KFXWGQJUNCRDBO-UHFFFAOYSA-N 311.307 3.992 0 40 DHAB COC(=O)c1ccccc1C[C@@H]1Cc2c(C)ccc(C)c2C1=O 1647032 UFCRTEPYKAXNSP-OAHLLOKOSA-N 308.377 3.688 0 40 DHAB COc1cccc(CNC(=O)COc2ccc3ccccc3c2)c1 2651230 RDNVMQWIBYDQNP-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB CCCCN(CCCC)C[C@H](O)COCc1ccccc1F 3179332 AFAUZGYXRCPVAX-KRWDZBQOSA-N 311.441 3.605 0 40 DHAB Cc1ccc(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)cc1C 3230936 OJRMWMYRKTZEMZ-AWEZNQCLSA-N 315.196 3.613 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ccccc32)c1C 3241842 GLNJGYWLQSBXPA-UHFFFAOYSA-N 315.438 3.672 0 40 DHAB COc1cc(/C=C2/N=C(C)OC2=O)ccc1OCc1ccccc1 4713239 PBBVBMYCGMUEEW-MHWRWJLKSA-N 323.348 3.590 0 40 DHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc2ccccc2c1 5529258 NXCMPCZBKQUWRK-BXWFABGCSA-N 313.441 3.842 0 40 DHAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1 5562973 HIOXLUGWIDJUKI-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccccc2[nH]1 6083014 OOHBJJNYKJCSTH-UHFFFAOYSA-N 319.286 3.763 0 40 DHAB CSc1ccccc1NS(=O)(=O)c1ccccc1Cl 6623191 YZGHQOWRHAZTSD-UHFFFAOYSA-N 313.831 3.863 0 40 DHAB CCN(CC)Cc1c(C)nc2c(OC)ccc(Cl)c2c1O 8717811 KECRVXQFMDCLHM-UHFFFAOYSA-N 308.809 3.753 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1C[C@@H](C)C[C@H](C)C1 8731462 XBDRCLGZZUMWCI-HOTGVXAUSA-N 319.445 3.645 0 40 DHAB COc1ccc(OC)c(NC(=O)Cn2c(C)cc3ccccc32)c1 9114308 IAGAGWOKJHCMCK-UHFFFAOYSA-N 324.380 3.606 0 40 DHAB Cc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)o2)cc1C 9586916 WSQZYHRJZXHDES-UHFFFAOYSA-N 313.382 3.657 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccs1 11139639 KCKZLRNGWKNFKM-UHFFFAOYSA-N 320.801 3.781 0 40 DHAB Cc1cc(C)c(C)c(OC[C@@H](O)CSc2ccccn2)c1 11692563 RRROHPPIJUZQPG-OAHLLOKOSA-N 303.427 3.539 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccco1 12750750 YAGAAZTXBLUWLR-GOSISDBHSA-N 317.348 3.675 0 40 DHAB COC(=O)c1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1 12979783 QJSKJTZXTXWORC-SFHVURJKSA-N 323.392 3.623 0 40 DHAB Cc1cccc(-n2ncc(C(=O)NCc3ccccc3F)c2C)c1 13018644 HHBPAEIOHIKCTI-UHFFFAOYSA-N 323.371 3.558 0 40 DHAB CCOc1ccc2nc(NC(=O)c3occc3C)sc2c1 14095851 ANLDEANFIFLXAI-UHFFFAOYSA-N 302.355 3.849 0 40 DHAB C[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccc(F)c(F)c1 15321653 LKSFKLGIWIOFNC-BKQLOGFTSA-N 321.367 3.537 0 40 DHAB Fc1ccc(C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 17206767 JDXSYVXVIBPKBV-UHFFFAOYSA-N 311.355 3.715 0 40 DHAB O=C(NCc1cccnc1)[C@@H](Cc1ccccc1)c1ccccc1 20510177 SWGKWCZKBHEHEE-FQEVSTJZSA-N 316.404 3.724 0 40 DHAB Clc1cccc(CNC[C@@H]2COc3ccccc3O2)c1Cl 21803539 ZWZBTDIUNCIXCZ-GFCCVEGCSA-N 324.207 3.923 0 40 DHAB CC(=O)Nc1c(O)cc2c3c(cccc13)C(=O)c1ccccc1-2 22636371 IQCJKAFVYZAUNK-UHFFFAOYSA-N 303.317 3.715 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1ccccc1 30997185 AAYNYAUIWJSSLP-UHFFFAOYSA-N 307.393 3.937 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C 32585501 XWZYAGVSWZXMTG-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 35312875 ZNSKVKACXPEACF-QGZVFWFLSA-N 323.396 3.630 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c(C)c1 36392997 SWBUWUZTOJBUDH-UHFFFAOYSA-N 305.381 3.670 0 40 DHAB Cc1ncsc1C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 40107459 UKGORCVFUDSUIF-QMTHXVAHSA-N 316.426 3.973 0 40 DHAB Oc1ccc(C2CCN(c3cnc4ccccc4n3)CC2)cc1 41873405 ZBHOWPHSXHGQHZ-UHFFFAOYSA-N 305.381 3.719 0 40 DHAB CCCCn1nc(C)c(C(=O)N[C@@H](C)Cc2ccco2)c1Cl 44913590 LUDYSCIMXLWMMU-NSHDSACASA-N 323.824 3.599 0 40 DHAB Cc1cc(CSCCC(=O)Nc2ccc(Cl)cc2)on1 48675232 XJMQWUCYNLWCFX-UHFFFAOYSA-N 310.806 3.898 0 40 DHAB CN(CC(=O)c1ccc(Br)cc1)Cc1ccccc1 57497499 XWDRWLHFLKDMST-UHFFFAOYSA-N 318.214 3.764 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2)cc1C(C)C 59233460 WHSBTIFERGJYBQ-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB CCOc1cccc([C@@H](C)NC(=O)N(C)Cc2ccco2)c1 63323861 NMGKCJUHQAHRTR-CYBMUJFWSA-N 302.374 3.581 0 40 DHAB Cc1cc(C)cc(N[C@H](C)C(=O)NCCc2cccs2)c1 70817549 KGEBWLXXBCJMIS-CQSZACIVSA-N 302.443 3.524 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1c1cccs1 71830421 XUXVCHBNCHVYSV-GFCCVEGCSA-N 324.833 3.994 0 40 DHAB CCC[C@H](C)N(C(=O)CC)c1nc(C)c(C(=O)OCC)s1 71914629 ZKWOLZNCYVIMDD-JTQLQIEISA-N 312.435 3.560 0 40 DHAB CCOc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72211875 KXXVOEMUMSCGLI-KRWDZBQOSA-N 310.397 3.848 0 40 DHAB Nc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2N)o1 73634470 CGFYBHMVFWBJAE-UHFFFAOYSA-N 321.167 3.875 0 40 DHAB Cc1ccnc(-c2ccc(NC(=O)NCc3cccs3)cc2)n1 75140017 YTAVRZXCCDXXCJ-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB C(=C\c1nc(CCn2cnc3ccccc32)no1)\c1ccccc1 76555343 HZTBFKKAFVOUDV-KHPPLWFESA-N 316.364 3.832 0 40 DHAB Cc1cnc([C@H](C)NC(=O)Nc2cccc3[nH]ccc23)s1 78538717 CKCSYENPBICMEI-JTQLQIEISA-N 300.387 3.816 0 40 DHAB COC(=O)CCC(=O)c1ccc(OCc2ccccc2)cc1C 82721972 PEZNMSKBZSLYQL-UHFFFAOYSA-N 312.365 3.710 0 40 DHAB CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccoc1C)CCC2 89295749 DOXQJVPZZQXFJU-ZDUSSCGKSA-N 304.415 3.757 0 40 DHAB Cc1ncccc1CN1CCC(OCc2ccc(F)cc2)CC1 95999436 KVQATGNPTTUDIG-UHFFFAOYSA-N 314.404 3.710 0 40 DHAB C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)[C@@H]1c1ccccc1 97099372 PAMWJHBAVDXRAD-WBMJQRKESA-N 308.385 3.579 0 40 DHAB COc1cccc(C=O)c1OCCCCN1CCCC[C@H]1C 217792686 IHSUEFLVDRNMMB-OAHLLOKOSA-N 305.418 3.541 0 40 DHAB COc1cccc(CCCNC(=O)Cc2ccc(C)c(C)c2)c1 218804777 LHCQMKBBUICQKN-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB CC(=O)[C@@]1(C)C[C@@H](c2ccccc2)N(C(=O)OC(C)(C)C)C1 218904459 FCSMQVPZMFVSGL-YJBOKZPZSA-N 303.402 3.964 0 40 DHAB biogenic COc1ccc(Cl)cc1C[C@@H](Oc1ccccc1C)C(=O)O 225119693 SQXOWVPWFIWDOZ-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CC(=O)c1cccc(NC(=O)c2conc2-c2ccccc2)c1 225871724 YYCBFGJSGKFPIQ-UHFFFAOYSA-N 306.321 3.797 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(C)c1 226284809 RTDJCWVHJYEEOK-UHFFFAOYSA-N 314.351 3.901 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc2ccccc2c1 226324228 KFNHSSHMGDEZFG-UHFFFAOYSA-N 305.381 3.740 0 40 DHAB COc1ccc(C(F)(F)F)cc1C(=O)COc1ccccc1 575242740 FZHMSSKHGAPWOU-UHFFFAOYSA-N 310.271 3.976 0 40 DHAB CC1(C)COC2(OC1)C(=O)Nc1c2cc2ccccc2c1Cl 725328015 HPPOAOYNHAFELQ-UHFFFAOYSA-N 317.772 3.671 0 40 DHAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1C 168827 OLQHLCXWFPBFDX-UHFFFAOYSA-N 310.397 3.729 0 40 DHAB Cc1ccc(C[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 277699 FJFAARYSCCJBPB-KRWDZBQOSA-N 307.393 3.734 0 40 DHAB Cc1cccc(-n2ncc3c(NCc4ccccc4)ncnc32)c1 552524 CWFXOHOYOFDPNY-UHFFFAOYSA-N 315.380 3.736 0 40 DHAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccn1 800775 BROSZMJOGNUDAM-UHFFFAOYSA-N 322.364 3.724 0 40 DHAB COc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1O 818133 KKMYSIQVPNDSRB-LJQANCHMSA-N 321.380 3.854 0 40 DHAB Cc1ccc(Nc2nc(C(=O)N3CCCCC3)cs2)cc1 819396 SLKJPZDRRBXMNW-UHFFFAOYSA-N 301.415 3.821 0 40 DHAB O=C1[C@H](O)[C@@H](c2ccccc2)c2ccccc2N1c1ccccc1 1564174 IKSHEFTYHQNATA-VQTJNVASSA-N 315.372 3.858 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3)on2)cc1 2794452 JNRKOWOIKFAGBL-ZDUSSCGKSA-N 322.364 3.841 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2Br)cc1 3040150 WVTLNOAWPGZGHD-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB CCOC(=O)c1nc(NCc2ccccc2C)c2ccccc2n1 4106936 MQMPLJKWYNPTJP-UHFFFAOYSA-N 321.380 3.727 0 40 DHAB COCc1nc2ccccc2n1CCCOc1ccccc1C 4386207 XNXLDXDRVHMHFS-UHFFFAOYSA-N 310.397 3.960 0 40 DHAB Cc1cccc(OCc2nnc3sc(-c4ccccc4)nn23)c1 5032328 LFSDRUDGGKSEFV-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB O=C(c1ccco1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 5245594 NVCLCTYDEXSGHH-UHFFFAOYSA-N 300.745 3.613 0 40 DHAB Cc1ccc(-c2c(C)sc3ncn4c(S)nnc4c23)cc1 5601177 CIEOONGGSSMLCV-UHFFFAOYSA-N 312.423 3.912 0 40 DHAB Cc1sc(NC(=O)c2ccc(C(C)C)cc2)c(C(N)=O)c1C 6254896 SULMVOKHOYGZHY-UHFFFAOYSA-N 316.426 3.840 0 40 DHAB CCOc1cc(CN[C@@H](C)CC)cc(Br)c1OC 8326629 ULJLAMUPEUJAKX-JTQLQIEISA-N 316.239 3.745 0 40 DHAB Cc1ccccc1OCC(=O)Nc1nnc(C2CCCC2)s1 8770136 CRMBMFIHQSMSEA-UHFFFAOYSA-N 317.414 3.522 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)c1c(F)cccc1F 8936919 FMNBXPGXJCBMBT-UHFFFAOYSA-N 318.348 3.847 0 40 DHAB C[C@@H]1CN(c2nc(-c3ccccc3)c3ccccc3n2)C[C@@H](C)O1 9260854 NZEJGHVOBBJWMQ-HUUCEWRRSA-N 319.408 3.910 0 40 DHAB CN(C)Cc1ccccc1CNC(=O)c1cc2ccccc2s1 9917352 NRSQDWWYUUEFNV-UHFFFAOYSA-N 324.449 3.893 0 40 DHAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 10110823 XPMKATUQSPBEAX-OAHLLOKOSA-N 315.388 3.650 0 40 DHAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1 12918556 IJASMYOJFIBLMP-CYBMUJFWSA-N 315.394 3.815 0 40 DHAB C=C1c2cc3c(cc2N=C(S)N1Cc1ccccc1)OCO3 13636104 TYWJRVSGRQNHTN-UHFFFAOYSA-N 310.378 3.819 0 40 DHAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2)c(OC)c1 13790317 NXVHMTVPBHOJCV-LBPRGKRZSA-N 316.426 3.751 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1Cc1nc(-c2cccnc2Cl)no1 13992538 PNQYUOZSVJQINS-GHMZBOCLSA-N 306.797 3.548 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2F)c(Cl)c1 20459133 OPCPWQXMCPNLFS-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB C[C@H]1CN(Cc2c(-c3ccccc3)nc3ccccn23)C[C@@H](C)O1 22240596 JBHOFYDBNXGZBK-IYBDPMFKSA-N 321.424 3.611 0 40 DHAB Cc1ccc(CN(CCN2CCCC2)Cc2ccc(C)o2)o1 22579083 AUSUMZBOHCXCNA-UHFFFAOYSA-N 302.418 3.587 0 40 DHAB COc1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)cc1F 23796859 LHZVTRNBTPESGL-UHFFFAOYSA-N 312.344 3.588 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2ccco2)N2CCCCC2)cc1 27581745 UVGKCTGQNQDXEZ-QGZVFWFLSA-N 312.413 3.545 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1cc(C(C)(C)C)on1 27925195 PGIFAOKLPJSZAB-UHFFFAOYSA-N 308.765 3.886 0 40 DHAB CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(F)c(F)c2)s1 27926473 QTMPEEFLTVORCO-UHFFFAOYSA-N 324.352 3.501 0 40 DHAB COC(=O)c1c(COCc2ccc(C)cc2C)cccc1OC 28540949 ULIVSMQQJQQHAL-UHFFFAOYSA-N 314.381 3.815 0 40 DHAB O=C1CCCN1CCc1nc(-c2cc3ccccc3o2)cs1 30447755 TWSHQQUALPBMAB-UHFFFAOYSA-N 312.394 3.721 0 40 DHAB c1nc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cs1 32836194 MUGFYRILTUEZJB-UHFFFAOYSA-N 316.426 3.817 0 40 DHAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(F)c1 35503412 HXRVIJFATVRBPZ-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB CC(C)Oc1cccc([C@@H](C)NC(=O)CCc2ccco2)c1 36392713 BUFMSOMBFKXHHL-CQSZACIVSA-N 301.386 3.877 0 40 DHAB CC(C)[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1cccs1 37031195 FHQXRTLBKQJZHF-WMLDXEAASA-N 302.443 3.652 0 40 DHAB CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 40714543 RHLWMKPQZKEITH-NSHDSACASA-N 305.403 3.622 0 40 DHAB CCc1cc(N)cc(C)c1NC(=O)COc1cccc(C)c1C 45890180 NTZKBRWKHSVJBD-UHFFFAOYSA-N 312.413 3.774 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)s1 47375229 MGRYJQINSDFBGA-UHFFFAOYSA-N 317.414 3.839 0 40 DHAB CC(C)Sc1ccc(C(=O)NCC(C)(C)CN(C)C)cc1 48184992 RXVLJIYGLXDPKE-UHFFFAOYSA-N 308.491 3.505 0 40 DHAB O=c1ccc(-c2ccccc2)nn1Cc1nc2ccccc2s1 48367560 NGMCUYKPXRNYHD-UHFFFAOYSA-N 319.389 3.568 0 40 DHAB Cc1csc(SCc2csc(-c3ncccn3)n2)n1 48597045 JMLWNJNESKRCDX-UHFFFAOYSA-N 306.441 3.657 0 40 DHAB O=C(CNc1ccc(OC(F)F)cc1)NC1CCCCCC1 58081269 LSWARUZTSUMEJA-UHFFFAOYSA-N 312.360 3.539 0 40 DHAB CSc1ccc(Cl)c(C(=O)N[C@@H](C)c2cnn(C)c2C)c1 58244983 XKRIJMSMHDJOHU-VIFPVBQESA-N 323.849 3.595 0 40 DHAB C[C@@H](Sc1ccc(O)cc1)C(=O)N1CCc2sccc2C1 58264160 ILIQCXCECDPOOS-LLVKDONJSA-N 319.451 3.519 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)C[C@H](C)CCc1ccccc1 58405148 GJSDUVSYGMAZNF-AEFFLSMTSA-N 303.446 3.530 0 40 DHAB O=C(c1csc(CCc2ccccc2)n1)N1CCCCC1 69632000 DWGDGDPNEXQQMC-UHFFFAOYSA-N 300.427 3.554 0 40 DHAB C[C@@H](S[C@H]1CCCc2ccccc21)C(=O)Nc1ncccn1 69698382 MGWUAZSJQBZICI-DOMZBBRYSA-N 313.426 3.614 0 40 DHAB CC(C)c1nc(/C=C/c2ccc(O)c(Cl)c2)ncc1C(=O)O 69927744 JKEVNMKCSCSGBI-GQCTYLIASA-N 318.760 3.828 0 40 DHAB CC(C)Oc1ccc(Cl)cc1-c1noc(C2CCNCC2)n1 72209127 NYLOKVXBBJPXLA-UHFFFAOYSA-N 321.808 3.644 0 40 DHAB CC(C)[C@H]1CN(C(=O)CCc2cscn2)c2ccccc2N1 75092697 AVLKAZGAOBWRRW-OAHLLOKOSA-N 315.442 3.559 0 40 DHAB Cc1cc(C)n2cc(CN(Cc3cccs3)C3CC3)nc2n1 78339694 GPEIXOGFEAIINP-UHFFFAOYSA-N 312.442 3.572 0 40 DHAB Cc1cc([C@H](C)NC(=O)NC[C@@H](O)c2ccsc2)c(C)s1 89582389 ALZLOJOWSVQJGQ-IINYFYTJSA-N 324.471 3.520 0 40 DHAB O=C(Nc1ccc(NCc2cc[nH]n2)cc1Cl)c1ccco1 89794361 XTBFEWAXAWJRPF-UHFFFAOYSA-N 316.748 3.521 0 40 DHAB Nc1c(Cl)cc(C(F)(F)F)cc1I 95627768 GCTGNIQJWWFHGZ-UHFFFAOYSA-N 321.467 3.546 0 40 DHAB Cc1ccc(CN2CC3(CCN(Cc4ccsc4)C3)C2)s1 96046485 CGQMNQWHHLCTTQ-UHFFFAOYSA-N 318.511 3.826 0 40 DHAB Cc1ccc(CN2CCCn3cnc(COC(C)C)c3C2)s1 96059048 GWDYTRNEIKQRRC-UHFFFAOYSA-N 319.474 3.584 0 40 DHAB Cc1ncsc1CNc1nnc(Cc2ccccc2F)s1 96495401 DBJWWMHVTURJQS-UHFFFAOYSA-N 320.418 3.645 0 40 DHAB Cc1nnc(CCC[S@](=O)c2cc(C(C)(C)C)ccc2C)o1 97144265 QSWIZAHEUGSBFD-JOCHJYFZSA-N 320.458 3.724 0 40 DHAB COc1ccccc1Oc1ccc(N[C@H]2C[C@@H](C)OC2=O)cc1 97212474 GMFHTNNRDDZBPX-DOMZBBRYSA-N 313.353 3.603 0 40 DHAB CC(=O)Nc1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1F 104200283 OMBHAKGZRGVKNN-AVGNSLFASA-N 304.365 3.549 0 40 DHAB CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H](C)c2cccnc2)C1 107585901 RSZCZIPBVWMZRJ-VNQPRFMTSA-N 321.490 3.848 0 40 DHAB Brc1ccc(CN[C@H](c2nccs2)C2CC2)o1 191207378 GYRPBINOUIZLPQ-NSHDSACASA-N 313.220 3.740 0 40 DHAB Cc1nc2ccccn2c1-c1nnc(Cc2ccc(Cl)cc2)o1 216616004 PSKRWLKIMZTUSC-UHFFFAOYSA-N 324.771 3.937 0 40 DHAB Cc1ccc(N2CCC(C(=O)NCCc3ccccc3)CC2)cc1 219848223 NWGLMRLICHYOCV-UHFFFAOYSA-N 322.452 3.570 0 40 DHAB Cc1ccc(CC(=O)NCCOc2cccc(C)c2C)cc1C 223936019 ZSPFHYUHQNXGHG-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB Cc1ccc(CNC(=S)Nc2ccc(Cl)c(C)n2)cc1 223942152 URCFEKGKTIXWNZ-UHFFFAOYSA-N 305.834 3.838 0 40 DHAB COc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)cc1C 224255832 IKRPQCVBVGYBAP-HNNXBMFYSA-N 313.397 3.509 0 40 DHAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@H](N)c1ccccc1 225443926 SDJLWMHAPFDCMV-PXAZEXFGSA-N 318.367 3.574 0 40 DHAB CCCCCNC(=O)c1snnc1-c1ccc(Cl)cc1 225771608 DBHPLDXOMUKGDJ-UHFFFAOYSA-N 309.822 3.779 0 40 DHAB CC(C)C1(NC(=S)Nc2ccc3c(c2)OCO3)CCCC1 225852167 KSEKBIPGNJYWPJ-UHFFFAOYSA-N 306.431 3.671 0 40 DHAB CCc1nc(Nc2ccc(C(C)=O)cc2)c2c(n1)c(C)nn2CC 226688217 KHDZJAHVMNLQPS-UHFFFAOYSA-N 323.400 3.663 0 40 DHAB COC(=O)CCCCC(=O)c1c(OC)ccc2ccccc12 575358600 VIWOCMINMUBVTD-UHFFFAOYSA-N 300.354 3.765 0 40 DHAB CC[C@H](C)N1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 585109337 KILBOWZHDDSQGH-XDKFSHSGSA-N 314.473 3.718 0 40 DHAB O=C(O)CCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 237506 VKIFEHDHQIOGCZ-UHFFFAOYSA-N 324.336 3.688 0 40 DHAB O=C(Oc1ccc2oc(=O)sc2c1)c1ccc(Cl)cc1 328303 WXOQPBLOLOOBOL-UHFFFAOYSA-N 306.726 3.727 0 40 DHAB O=c1[nH]c(-c2cccnc2)nc2scc(-c3ccccc3)c12 388015 STGJUIBJYIWWPZ-UHFFFAOYSA-N 305.362 3.714 0 40 DHAB O=C(Nc1ncnc2sc3c(c12)CCC3)c1ccc(F)cc1 552504 PKFLRNXQJRDIPM-UHFFFAOYSA-N 313.357 3.571 0 40 DHAB CCC(CC)c1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 804742 BQPJAXHCEJWOHP-NSHDSACASA-N 319.430 3.848 0 40 DHAB Cc1cccc(-c2nnnn2-c2cccc(C(F)(F)F)c2)c1 1386038 QVNLZTXEKLDJTM-UHFFFAOYSA-N 304.275 3.657 0 40 DHAB CN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1CCCCC1 1475516 DLYJEEDHDSBGEA-SFHVURJKSA-N 319.489 3.988 0 40 DHAB O=C(Nc1ccc(CCO)cc1)C1(c2ccccc2)CCCC1 2512695 ZYZLYPDKPWIQJK-UHFFFAOYSA-N 309.409 3.672 0 40 DHAB Cc1ccc(-n2nnc(C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 2713195 VMSUQHKGOQAPFU-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1 2886944 KXGFKZAULCGMQN-AWNIVKPZSA-N 324.380 3.696 0 40 DHAB O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccco2)on1 3908403 PYUICRYYHYDBRO-UHFFFAOYSA-N 304.689 3.546 0 40 DHAB O=C(CCSc1ccccc1)Nc1ccc2c(c1)OCO2 4815716 IBZXQEWOKJCBID-UHFFFAOYSA-N 301.367 3.536 0 40 DHAB Cc1ccc(C)c(CSCC(=O)NCc2cccs2)c1 5120067 SOWYDDIFKJDJQJ-UHFFFAOYSA-N 305.468 3.915 0 40 DHAB COC(=O)c1cc2c(c3c1C[C@@H](Cc1ccccc1)C3=O)CCC2 5538127 BGIWYCNHIMSKGG-OAHLLOKOSA-N 320.388 3.560 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccccc2)N1CC(F)(F)F 7113191 PZQDJPAVJWBCIT-CQSZACIVSA-N 306.287 3.815 0 40 DHAB Cc1ccc(C(=O)OCc2cc(-c3ccccc3)on2)c(O)c1 7485147 WBQXTDVNUUDKPJ-UHFFFAOYSA-N 309.321 3.713 0 40 DHAB CSCc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 7705479 DADUGZFZOWEBIG-MRXNPFEDSA-N 313.422 3.803 0 40 DHAB CCCOc1cc(Nc2ccc(NC(=O)CC)cc2)nc(C)n1 12225505 VSBOHAWAAWLEMM-UHFFFAOYSA-N 314.389 3.666 0 40 DHAB Cc1ccc(-c2nnc([C@@H](C)Nc3ccc4c(c3)OCO4)o2)cc1 12534086 QMEDABHFBYYKQN-GFCCVEGCSA-N 323.352 3.947 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccccc2)[nH]n1 12604072 LHXNPZMYVALJRD-CQSZACIVSA-N 305.381 3.876 0 40 DHAB Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C 12749059 ZJBUZLXIRQDZGS-QGZVFWFLSA-N 316.832 3.681 0 40 DHAB Cc1ccc(CNC(=O)N[C@@H](C)CCc2ccc(O)cc2)cc1 12866192 SHUVPTADPUTKHN-HNNXBMFYSA-N 312.413 3.521 0 40 DHAB Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 16685060 LTICJNMBNYTNKW-CABCVRRESA-N 321.424 3.952 0 40 DHAB Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2[nH]1 18203058 RVTISVISHHZZTH-UHFFFAOYSA-N 322.393 3.502 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NC1CCCCCC1 20110624 YSLVZCBWDXTDDB-KRWDZBQOSA-N 305.418 3.692 0 40 DHAB CSc1ncccc1C(=O)N[C@@H]1CCSc2ccccc21 21898932 MLSAHVFATBNVAP-CYBMUJFWSA-N 316.451 3.770 0 40 DHAB CC(=O)[C@H](C)OC(=O)c1c2c(nc3ccc(C)cc13)CCCC2 22156236 RQPUPLBALBXMIY-ZDUSSCGKSA-N 311.381 3.556 0 40 DHAB CN(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1)c1cccs1 23105514 IJENMLOGUNJOJA-ZDUSSCGKSA-N 323.849 3.826 0 40 DHAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)C1CCC1 28225075 MLRIOMSNRHBVOM-UHFFFAOYSA-N 324.211 3.977 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1 28242819 NMOTZSBYKSFFOT-UHFFFAOYSA-N 307.353 3.728 0 40 DHAB Cc1nnc(NC(=O)Nc2cccc(Cl)c2Cl)s1 32611066 JGLSTWZIYZJHBX-UHFFFAOYSA-N 303.174 3.797 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 32817486 WEQBMCKBOHDFAR-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB COc1ccc([C@H](O)c2ccccc2Br)c(OC)c1 40248059 FEWKHMIHRASCSX-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB CCCC[C@H](CC)CNC(=O)CCc1ccc(OC)c(OC)c1 40994837 HNVRJWGZFDKOHL-HNNXBMFYSA-N 321.461 3.969 0 40 DHAB CN(C)C(=O)c1ccc(OCc2cc(F)cc3cccnc23)cc1 42113918 GPCYMZYCDRPVDI-UHFFFAOYSA-N 324.355 3.655 0 40 DHAB CCc1cccc(C)c1NC(=O)N(C)Cc1c(C)noc1C 43155899 HYBGAUAECGXOTM-UHFFFAOYSA-N 301.390 3.826 0 40 DHAB CC(C)COc1ccc(NC(=O)C[C@@H]2CCCO2)cc1Cl 47088302 FWCKDYLTXPZKLM-ZDUSSCGKSA-N 311.809 3.882 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)o1 48055622 DIRZZAFVWMMRFE-XHDPSFHLSA-N 313.401 3.828 0 40 DHAB CCCc1nc(NC(=O)c2cccnc2S)sc1CC 48749019 PUOJOCKUOMGDOG-UHFFFAOYSA-N 307.444 3.594 0 40 DHAB CCOc1cccc(CNC(=O)CCc2ccccc2Cl)c1 57670192 LTIYECWEPCJYOW-UHFFFAOYSA-N 317.816 3.988 0 40 DHAB Oc1cccc(C2=NN(c3ncccn3)[C@H](c3ccsc3)C2)c1 58226851 CBSVDZYUFDRNRL-INIZCTEOSA-N 322.393 3.599 0 40 DHAB Cc1ccc(CN(C(=O)NCc2ccncc2)C(C)C)s1 69623053 HAOWEJVOQWEHGA-UHFFFAOYSA-N 303.431 3.572 0 40 DHAB COc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1F 72331700 FNEFSRUJLCOEQG-UHFFFAOYSA-N 311.715 3.557 0 40 DHAB c1ccc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 72389969 BAHMSNANCGOBEL-KRWDZBQOSA-N 320.396 3.511 0 40 DHAB Cc1cnccc1-c1cc(NCc2ccncc2)nc2[nH]ccc12 72435976 QXDZDYXUSQKPBA-UHFFFAOYSA-N 315.380 3.940 0 40 DHAB CC(C)c1nc([C@@H]2CCCN2C(=O)CC2=CCCCC2)no1 76044341 CVQVLMDQZUIYQC-AWEZNQCLSA-N 303.406 3.747 0 40 DHAB CC(C)[C@H](c1ccccc1)N1CCC(N2CCO[C@@H](C)C2)CC1 84715132 ZADZANFZYYXYBD-FXAWDEMLSA-N 316.489 3.569 0 40 DHAB CCn1c(C)cc(C(=O)N(c2nc(C)cs2)C2CC2)c1C 95413020 PEOMRYPXFXPYMR-UHFFFAOYSA-N 303.431 3.699 0 40 DHAB COc1ccc(OCCN(C)Cc2csc(C3CC3)n2)cc1 95442930 AWFUPSKXFWTERN-UHFFFAOYSA-N 318.442 3.540 0 40 DHAB CC(C)[C@@H](NC(=O)N(C)C[C@@H]1CCOC1)c1ccc(Cl)cc1 95963999 WEXDZBRWGNMWNT-XJKSGUPXSA-N 324.852 3.715 0 40 DHAB O[C@H]1CCCC[C@H]1Oc1ccc(NC2CCSCC2)cc1 95964699 XPZSHSSXYMNETI-DLBZAZTESA-N 307.459 3.676 0 40 DHAB COc1cccc2cc([C@H](C)NC[C@@](C)(O)c3ccco3)oc12 95987952 YJFMIKGXJIVNPK-KPZWWZAWSA-N 315.369 3.593 0 40 DHAB CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1 96103346 ABSKTKWHYYZMMT-ZDUSSCGKSA-N 310.806 3.911 0 40 DHAB C[C@H](OCCCN[C@H]1CCCc2c1cnn2C)c1ccccc1 96476442 QHTXLTLCMSNBFM-YJBOKZPZSA-N 313.445 3.555 0 40 DHAB CS[C@@H]1CC[C@H](NC2CCN(Cc3ccccc3)CC2)C1 96478661 HQJSCWFTKZSBSR-ZWKOTPCHSA-N 304.503 3.525 0 40 DHAB Cc1nccn1-c1cncc(N2CC[C@@H](C)C[C@@H]2c2ccco2)n1 96494545 OKPOGFFMQALOOF-UKRRQHHQSA-N 323.400 3.541 0 40 DHAB O=C(Cc1cccs1)N1CCS[C@H](c2ccco2)CC1 207007987 PQPGLUVSLNETEH-AWEZNQCLSA-N 307.440 3.590 0 40 DHAB CC(C)O[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140420 FEVBOJRKVOBXOP-QGZVFWFLSA-N 300.354 3.900 0 40 DHAB O=C(Cc1ccccc1F)NCCSCc1ccccc1F 225446484 KXKPZJLFEGEMMJ-UHFFFAOYSA-N 321.392 3.557 0 40 DHAB COc1ccc([C@H](C)NC(=O)CCc2ccccc2F)cc1 225791566 XHKWAQIGGFPZRH-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3Cl)O[C@@H]2C1 242463881 DPFJHPUYYLYPEL-CZUORRHYSA-N 309.793 3.575 0 40 DHAB O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)n1ccnc1 408734089 IIWBFLOYWKZGQL-MRXNPFEDSA-N 311.772 3.765 0 40 DHAB CCOc1ccc(CC(=O)N2CC[C@@H](c3ccsc3)C2)cc1 669639921 MYIYCAGQDRIMRH-OAHLLOKOSA-N 315.438 3.705 0 40 DHAB OCc1cc(C(F)(F)F)nc2cc(Br)ccc12 685936916 FLOFUYBLFWOCKF-UHFFFAOYSA-N 306.081 3.508 0 40 DHAB COc1ccccc1OCC(=O)Nc1cccc(Cl)c1C 38410 XDMKKOQLWZNGPH-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB Cc1cccc(NC(=O)O[C@@H]2CCN3Cc4ccccc4N=C23)c1 487694 ZMTGIYJAMVPNPD-QGZVFWFLSA-N 321.380 3.862 0 40 DHAB biogenic CC[C@@H](CO)Nc1nnc(-c2ccc(C)cc2)c2ccccc12 1093166 ZCEQWRUQGXLKGR-HNNXBMFYSA-N 307.397 3.788 0 40 DHAB CC1CCN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 1227958 GOJANQILHWLMMS-NCXUSEDFSA-N 311.510 3.557 0 40 DHAB Nc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccccc1 1273723 MDGNZOONDVSAIM-UHFFFAOYSA-N 313.357 3.839 0 40 DHAB Cc1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1 1386037 QXKWCPPUYQOMPS-UHFFFAOYSA-N 305.168 3.945 0 40 DHAB O=C(O)CSc1nc2cc(Cl)c(Cl)c(Cl)c2[nH]1 1596748 OGFSVBKMGZSWFK-UHFFFAOYSA-N 311.577 3.700 0 40 DHAB O[C@H](c1ccc(Br)cc1)C(Cl)(Cl)Cl 1609565 AXNMHLKVDSMYSA-SSDOTTSWSA-N 304.398 3.853 0 40 DHAB CCCCOc1cccc(NC(=O)CSc2ccccn2)c1 3151485 LZUSHEZPEFGYHC-UHFFFAOYSA-N 316.426 3.991 0 40 DHAB CCC(C(=O)Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F 3189084 NEKQHANGUJTXNN-UHFFFAOYSA-N 314.229 3.850 0 40 DHAB biogenic Cc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 3436510 PKFRBIAJTLCNQB-UHFFFAOYSA-N 312.350 3.555 0 40 DHAB Oc1ccc(-c2nc3cnccn3c2Nc2ccccc2)cc1 3896492 QFMWCGGNGVZIPK-UHFFFAOYSA-N 302.337 3.846 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 4592806 XPZDBBLKGGQCOM-OZVVPTBGSA-N 310.180 3.529 0 40 DHAB NC1=N[C@@H](c2ccccc2Cl)N2C(=N1)Sc1ccccc12 4747290 SAWOCHQAEXFKHE-CYBMUJFWSA-N 314.801 3.635 0 40 DHAB CCCCN1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O 5867809 PHCUUYKESRBDDO-GXDHUFHOSA-N 321.398 3.540 0 40 DHAB COc1ccc(Nc2cc(NCc3ccccc3)ncn2)cc1 6793196 BTANYDYRJKQBCP-UHFFFAOYSA-N 306.369 3.841 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1F 7755661 HTRQLFHNHSZEAI-NSHDSACASA-N 307.752 3.563 0 40 DHAB CC(C)CNC(=O)[C@@H](C)N(C)Cc1ccc(Cl)c(Cl)c1 8532239 UZIKDZLVYJVKHS-LLVKDONJSA-N 317.260 3.586 0 40 DHAB Cc1cccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)c1 8613180 QDXUQNAIKYASTJ-IBGZPJMESA-N 314.473 3.866 0 40 DHAB Cc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCCC1 8613182 YZBKGMQNIOICHR-SFHVURJKSA-N 314.473 3.866 0 40 DHAB CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C1 8628554 RIBZRKBTHDVGFL-QGZVFWFLSA-N 314.410 3.507 0 40 DHAB CC(=O)Nc1cccc(C(=O)N[C@@H](c2cccs2)C(C)C)c1 9952763 TUXOTYDUTXFNGW-MRXNPFEDSA-N 316.426 3.834 0 40 DHAB CCc1ccc(CCC(=O)NCCCN2CCCCCC2)cc1 10111275 GTQGCNASPNYLII-UHFFFAOYSA-N 316.489 3.564 0 40 DHAB CN(Cc1ccc(F)cc1F)C(=O)c1cccc2cccnc12 12819521 DVQJJWWUTYENAV-UHFFFAOYSA-N 312.319 3.785 0 40 DHAB Cc1nn(C)c2ncc(NC(=O)c3cc4ccccc4s3)cc12 12858755 DBSJHLDIQXYZNF-UHFFFAOYSA-N 322.393 3.744 0 40 DHAB CCOc1ccccc1NC(=S)NCc1ccc(OC)cc1 13814953 TZBSQVMUYZYLGH-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)oc2c(Cl)cccc12 14171253 QQEHFIFWNCDRGE-UWVGGRQHSA-N 307.777 3.644 0 40 DHAB CCCCNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 21874503 RRBGLUVOWGNWDM-UHFFFAOYSA-N 305.809 3.672 0 40 DHAB COc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1Cl 22149645 BLEKOFCLYNIGFA-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CCCN(Cc1ccccc1)C(=O)c1cc(Br)c[nH]1 24325530 ITJZUMSEROSFBQ-UHFFFAOYSA-N 321.218 3.830 0 40 DHAB Cc1ccc(-c2nc(CCNC(=O)CC(C)C)cs2)cc1 28288406 WCDQWQSPGIXIAM-UHFFFAOYSA-N 302.443 3.823 0 40 DHAB CC(C)N(C)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 31087289 OZICBSQLPNRVCF-UHFFFAOYSA-N 318.248 3.845 0 40 DHAB C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1 32768513 DTPMELNOXZAAEU-MEDUHNTESA-N 301.773 3.521 0 40 DHAB O=C(NCc1cccs1)c1ccc(CSC(F)F)o1 32770833 NOSVWBRRLNNYQP-UHFFFAOYSA-N 303.355 3.727 0 40 DHAB Cc1cccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)c1C 40095298 JJLOYWYDGLTALI-MRXNPFEDSA-N 318.804 3.812 0 40 DHAB O=C(CCC1CCCCC1)NC[C@@H](c1ccco1)N1CCCC1 40160850 XALISLPCKDERLD-KRWDZBQOSA-N 318.461 3.893 0 40 DHAB CCCCN(C)C(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 48065953 HEYMJWWXUFUGLU-FMIVXFBMSA-N 304.390 3.527 0 40 DHAB CCCC(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 55680212 AFIROFRZKBQFJW-UHFFFAOYSA-N 300.402 3.683 0 40 DHAB COCCCCN(Cc1ccccc1)C(=O)Nc1nccs1 58016801 NIVHUNSQIBCJDQ-UHFFFAOYSA-N 319.430 3.604 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2)c1 58160074 DTMCRDYHTUVPJB-ZIAGYGMSSA-N 310.397 3.567 0 40 DHAB CC[C@@H]1Oc2ccc(OCc3cccc(F)c3)cc2NC1=O 61997483 HNYNNXFMJHSELS-HNNXBMFYSA-N 301.317 3.514 0 40 DHAB COc1ccc(C2(C(=O)NCc3ccccn3)CCCCC2)cc1 65711988 UFRHPKGAIPQJGD-UHFFFAOYSA-N 324.424 3.609 0 40 DHAB CN1CCN(c2ncccc2C(F)(F)F)Cc2ccccc21 68917885 XLFFOYSIQNPJQT-UHFFFAOYSA-N 307.319 3.557 0 40 DHAB Cc1ccc(N2CCN(C(=O)c3ccc(C)s3)CC2)c(C)c1 72331324 UFRFWCUBWIKTNJ-UHFFFAOYSA-N 314.454 3.636 0 40 DHAB CCCOc1ccccc1OCc1nccn1CC(F)(F)F 76695137 BEZQPZDOBXCUNP-UHFFFAOYSA-N 314.307 3.813 0 40 DHAB Cc1ccc2c(I)c(F)cc(C)c2n1 85399670 RYMHPJREFUZXJC-UHFFFAOYSA-N 301.102 3.595 0 40 DHAB Nc1ncc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)s1 89263061 HFKBMLOYWNVANL-UHFFFAOYSA-N 313.169 3.749 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)N[C@H](C)C2CCCCC2)cc1 95404427 KBXOZDKGSSXJRM-ZIAGYGMSSA-N 304.434 3.581 0 40 DHAB CCCNC(=O)CCCC(=O)N1CCC[C@@H](C)c2ccccc21 95939123 SJKWPUQIZADFHP-OAHLLOKOSA-N 316.445 3.613 0 40 DHAB CC(C)C[C@@H](NC[C@](C)(O)c1ccsc1)c1ccccn1 95968341 KBCQHUNGCXEDIW-SJORKVTESA-N 304.459 3.728 0 40 DHAB CCNCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C 95971528 BQJFOGIYGGMQMJ-ZWKOTPCHSA-N 308.425 3.847 0 40 DHAB COc1cccc([C@@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)c1 100990307 PWIQATKTNCPRGM-SFHVURJKSA-N 318.380 3.651 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc(-c3ccco3)on1)C2 107329526 CQLXCMFCGMURHQ-GYOIFBIXSA-N 314.385 3.879 0 40 DHAB Cc1cc2occ(Br)c(=O)c2cc1Br 169797318 HPPSECLVVRFWGL-UHFFFAOYSA-N 317.964 3.626 0 40 DHAB Cc1ncsc1C(=O)N1C[C@H](C)Oc2c(Cl)cccc21 189835719 GHFHSEUMRUHMMA-QMMMGPOBSA-N 308.790 3.533 0 40 DHAB Cc1ccc(CC(=O)N[C@@H](C)COc2ccccc2C)cc1C 218808338 RZCWAKVGJCOEOE-KRWDZBQOSA-N 311.425 3.738 0 40 DHAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 218971515 RGPRBLMZQVEJJG-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB CCOc1ccc(C(=O)N2CCc3ccccc32)cc1Cl 224134191 HLSTYPLQHQVIRH-UHFFFAOYSA-N 301.773 3.942 0 40 DHAB CCCOCc1cc(C(=O)NCCC(C)C)ccc1OCC 224710124 ZGIOVKUTOWNBIA-UHFFFAOYSA-N 307.434 3.788 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1Cl 225360302 FVBCTJIQQPFJCI-UHFFFAOYSA-N 303.789 3.977 0 40 DHAB Cc1ccc2oc(=O)c(C(=O)N[C@H](C)c3ccccc3)cc2c1 226036217 IUERWHMPPMKVQR-CYBMUJFWSA-N 307.349 3.592 0 40 DHAB CCCCNC(=O)N1CCC(c2ncc(C(C)(C)C)o2)CC1 227163767 DNZYNBMZQGWKRA-UHFFFAOYSA-N 307.438 3.661 0 40 DHAB CC[C@H](OC[C@H](O)CN[C@H](C)c1ccccc1)c1ccccc1 248261139 QPXDBTYBCYZQBM-AHRSYUTCSA-N 313.441 3.866 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1 257336677 YPNPFJCWULVWOL-INIZCTEOSA-N 315.392 3.544 0 40 DHAB O=C(c1cc(Br)cs1)C(F)(F)Br 306642875 VCQOFXHCEVHLNG-UHFFFAOYSA-N 319.952 3.681 0 40 DHAB CCc1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)on1 409412820 MHSGUBMFDOXCLV-XYVMCAHJSA-N 310.397 3.549 0 40 DHAB CCCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1 117542 QKNIIGURSARFDB-UHFFFAOYSA-N 321.424 3.543 0 40 DHAB Fc1ccc2[nH]cc(-c3nnnn3-c3ccc(Cl)cc3)c2c1 340638 DFOMALJFGHOKEY-UHFFFAOYSA-N 313.723 3.603 0 40 DHAB Cc1cc2ccccc2c[n+]1CC[n+]1cc2ccccc2cc1C 1665868 CYZINKWGJGRAKP-UHFFFAOYSA-N 314.432 3.885 0 40 DHAB O=C(OCCN1CCCC1)[C@H](c1ccccc1)[C@H]1C=CCCC1 1712584 WBSQBCKCXJYLSQ-RBUKOAKNSA-N 313.441 3.766 0 40 DHAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C)cc1 2402407 QGXQGCZUCZDMRD-KRWDZBQOSA-N 319.360 3.667 0 40 DHAB COc1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)ccc1OC(F)F 2793277 JPPLANROKQDBRB-PHIMTYICSA-N 313.344 3.700 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(Cl)cc2Cl)C1 3100473 SAYTUDPIINRNJW-GHMZBOCLSA-N 316.228 3.877 0 40 DHAB O=C(CCSc1ccccc1)OCC(=O)c1ccccc1F 3262486 IWMXPKJLZPJGHT-UHFFFAOYSA-N 318.369 3.734 0 40 DHAB COc1cc(OC)c(C(=O)Nc2cc(C)ccc2C)cc1OC 3479019 DMUZUDNMMFMWMZ-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C 3581415 PWYHSYNRUYQWNP-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2Cl)c1C 3587615 ZAUQHMUIYBQHQQ-UHFFFAOYSA-N 305.761 3.749 0 40 DHAB C[C@H](Cc1ccccc1)n1cnc2c([nH]c3ccc(F)cc32)c1=O 4065555 LJVNNKIKRDBZBZ-GFCCVEGCSA-N 321.355 3.821 0 40 DHAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1cccc(C)c1 4086228 DHRNXCCIQKBIGF-UHFFFAOYSA-N 323.392 3.681 0 40 DHAB biogenic C[C@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)N1CCCC1 5696608 GWNUICPJXVTDAU-LLVKDONJSA-N 300.324 3.518 0 40 DHAB CC1=C[C@](O)(c2ccc(-c3ccccc3Cl)cc2)OC1=O 5757737 FSAOEXNRJZJMPP-QGZVFWFLSA-N 300.741 3.655 0 40 DHAB CCCCC(=O)Nc1cnc(NC(=O)c2ccccc2)cc1C 5978005 PGEYMLFVUCSWAS-UHFFFAOYSA-N 311.385 3.771 0 40 DHAB CCCOc1ccc(-c2csc(N3CCCC3=O)n2)cc1 6431420 LBPVSRUYHPNRGC-UHFFFAOYSA-N 302.399 3.726 0 40 DHAB CC(C)c1nc(SCCC(=O)O)c2cc(Cl)ccc2n1 6828918 DIHJEDYGRHRZPA-UHFFFAOYSA-N 310.806 3.973 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCc3ccccc32)c1C 7115155 CHYYIJIZLIXDLG-AWEZNQCLSA-N 324.424 3.858 0 40 DHAB CCn1c(SCc2nc3ccccc3o2)nnc1C1CC1 7618655 AZQIYTZDDSVYNI-UHFFFAOYSA-N 300.387 3.609 0 40 DHAB COc1cccc(-c2noc(COc3ccc4c(c3)CCC4)n2)c1 7737727 AXWMXQNIKLQLSX-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB Cc1cccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C)CC2=O)c1 7929073 NBYIASKLTULOKT-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB Cc1ccccc1-c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 8225695 YBVQBAJGJZRJEX-UHFFFAOYSA-N 310.378 3.590 0 40 DHAB CSCc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 8237509 IXVILLRYHUITLC-UHFFFAOYSA-N 315.438 3.667 0 40 DHAB Cc1cc(C(F)(F)F)c2c(NCc3cccs3)n[nH]c2n1 12115906 IWOPIWZKSHPXHG-UHFFFAOYSA-N 312.320 3.959 0 40 DHAB O=C(Cc1ccccc1F)Nc1ccccc1OC(F)(F)F 14679364 YVKFMYDSLBCYJB-UHFFFAOYSA-N 313.250 3.906 0 40 DHAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C)c(C)c1C 16780152 PRSMANWZTXJYNC-INIZCTEOSA-N 317.454 3.960 0 40 DHAB CC(=O)Nc1ccc(CNCCSc2ccccc2)cc1 17318386 XVHNJTKMHNUZPP-UHFFFAOYSA-N 300.427 3.527 0 40 DHAB O=C(CCc1ccccc1F)NC12CC3CC(CC(C3)C1)C2 19159948 YWGQYOSGCLRQIF-UHFFFAOYSA-N 301.405 3.843 0 40 DHAB O=C(NCCc1csc(-c2ccncc2)n1)Nc1ccccc1 19942531 DLROWZPHWANHDE-UHFFFAOYSA-N 324.409 3.569 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20137544 FXZBRKPWEFNGAM-UHFFFAOYSA-N 303.745 3.853 0 40 DHAB CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20459143 BDDOJOKXFFAFFA-UHFFFAOYSA-N 308.425 3.779 0 40 DHAB Cc1ccc(-c2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 20799304 VFUSCVMIPZLGJO-INIZCTEOSA-N 320.392 3.551 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 21831366 QNYDDHPJFWVKSV-UHFFFAOYSA-N 310.353 3.716 0 40 DHAB O=C(c1ccc2c(c1)OCCCO2)N1CC[C@H]2CCCC[C@H]2C1 21905373 BMVZUOJQJXRIFF-ZBFHGGJFSA-N 315.413 3.500 0 40 DHAB O=C(Cn1ccc2cc(Cl)ccc21)Nc1ccc(O)cc1 32101693 JMGRTNKCKNVPRL-UHFFFAOYSA-N 300.745 3.639 0 40 DHAB COc1ccc(COC(=N)C(Cl)(Cl)Cl)cc1OC 35063437 OGXPSAUIWRKNQB-UHFFFAOYSA-N 312.580 3.568 0 40 DHAB CN(CCOc1ccc(F)cc1)C(=O)CCCc1cccs1 40001075 WMJFHFXQTHDOEU-UHFFFAOYSA-N 321.417 3.747 0 40 DHAB CCOc1ccc([C@H](O)c2cccc(Br)c2)cc1 40244582 RLWCDAYMVRGYBZ-HNNXBMFYSA-N 307.187 3.930 0 40 DHAB Cc1ccc(NC(=O)CCCc2nc(C(C)C)no2)c(C)c1 40515642 QUYDMETYXXEBLO-UHFFFAOYSA-N 301.390 3.771 0 40 DHAB COc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 44508943 GJJKQCKVONHGAU-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB COc1ccccc1CN(C)C(=O)CCCOc1ccccc1 44884122 CXYUSOSZOGSUBD-UHFFFAOYSA-N 313.397 3.513 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)SCc2cccc(Cl)c2)no1 49048670 NUBRXCRAQTUEGF-SNVBAGLBSA-N 310.806 3.897 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccccc1 58151851 MDQVMYNJNDVBHW-UHFFFAOYSA-N 305.425 3.838 0 40 DHAB COc1ccc2c(c1)CCN2C(=O)Nc1cccc2cccnc12 58513283 IZXOAEWCTQWCET-UHFFFAOYSA-N 319.364 3.838 0 40 DHAB CCCN(Cc1ccccc1)CN1C(=O)C[C@H]1c1ccccc1 59578487 WNKXEDOSWQXVID-IBGZPJMESA-N 308.425 3.830 0 40 DHAB COc1cccc(-c2nn3c(-c4ccsc4)nnc3s2)c1 66088301 COTAXDXZSAZIGT-UHFFFAOYSA-N 314.395 3.590 0 40 DHAB CCn1c(CSc2nnc(C)s2)nc2cc(F)ccc21 66256289 KOPQUSKYKDHBIX-UHFFFAOYSA-N 308.407 3.648 0 40 DHAB CCc1ncc(C(=O)N2CCCCC[C@@H]2c2ccncc2)s1 71830951 DKLUEUOBJYEEQZ-CQSZACIVSA-N 315.442 3.858 0 40 DHAB COC(=O)C[C@H](C)S[C@@H](C)c1nc(-c2cccs2)no1 79358953 HEAKVWDNEVQMPN-IUCAKERBSA-N 312.416 3.544 0 40 DHAB O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(NC2CC2)nc1 95369293 DVLGDBSVMVQJDY-HNNXBMFYSA-N 321.424 3.506 0 40 DHAB O=[S@](Cc1csc(-c2ccccc2)n1)Cc1nccs1 95431223 GWGYMVYXWMDIFL-FQEVSTJZSA-N 320.464 3.716 0 40 DHAB CCSc1ccc(NCc2ccc([S@@](C)=O)cc2)cn1 96483183 CDPJRZCIIUPFON-FQEVSTJZSA-N 306.456 3.543 0 40 DHAB Fc1cc(F)c(NCc2nnc(-c3cccs3)o2)cc1F 96500473 PAKGYFKGBNGOQM-UHFFFAOYSA-N 311.288 3.828 0 40 DHAB Cc1nc(C[S@](=O)Cc2ccc(F)cc2Cl)oc1C 97083584 KWQFLCHJWMWPRM-IBGZPJMESA-N 301.770 3.533 0 40 DHAB CO[C@H](C)[C@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 97104848 IZGPDUXVUCOTSN-LSDHHAIUSA-N 321.461 3.683 0 40 DHAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccccc1 102680419 VGVPAIMZXLCLBI-RNIPGJKVSA-N 319.404 3.869 0 40 DHAB CC[C@]1(C)CN(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)CCO1 190245948 PDXOXUHQBXEEHK-MRXNPFEDSA-N 324.808 3.575 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccccc2C)c(Cl)c1 192324337 IHSUHRDAYPZDJL-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB Cc1ccn2c(-c3nnc(-c4ccccc4C)o3)c(C)nc2c1 216601496 MHZLIXIDOQXEQD-UHFFFAOYSA-N 304.353 3.977 0 40 DHAB CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1 225593666 WOIYRANNPQVAPA-SNVBAGLBSA-N 314.223 3.976 0 40 DHAB Cc1occc1C(=O)N1c2ccc(Br)cc2C[C@H]1C 225868418 FSAPNQHWDBIALG-SECBINFHSA-N 320.186 3.942 0 40 DHAB CC(C)c1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)cc1 515737874 SAZCDKBYQUSNFK-SFHVURJKSA-N 315.438 3.946 0 40 DHAB CN(C)c1cccc(C(=O)NCc2ccc(-c3ccco3)o2)c1 575609464 VPQBUROMOBTLNL-UHFFFAOYSA-N 310.353 3.536 0 40 DHAB CC[C@@H](C)N1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 585109338 KILBOWZHDDSQGH-XFKAJCMBSA-N 314.473 3.718 0 40 DHAB Cc1cccc(O[C@@H]2CCC[C@H](N(C)C3CCCCC3)[C@H]2O)c1 1615153039 JISIFXPMMZQRFD-XUVXKRRUSA-N 317.473 3.920 0 40 DHAB Cc1ccc(NC(=O)N(C)CCc2ccccn2)cc1Cl 155199 LWIYPGWGRPCKFC-UHFFFAOYSA-N 303.793 3.750 0 40 DHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc(Cl)cc1 1934058 OZPBCISCEHSKMR-IZZDOVSWSA-N 315.756 3.535 0 40 DHAB COc1cccc(-c2cc(C(F)(F)F)nc(N3CCCC3)n2)c1 2458852 VDSUTYXCQOAVPV-UHFFFAOYSA-N 323.318 3.771 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1cc(F)c(F)c(F)c1F 3459631 BPFDFWRXLWGDQR-UHFFFAOYSA-N 311.234 3.698 0 40 DHAB O=C(NCCc1cccc(F)c1)Nc1cccc2cnccc12 3817399 WPIIYASKBNQAEY-UHFFFAOYSA-N 309.344 3.738 0 40 DHAB O=C(C[C@H](Cc1ccccc1)c1ccco1)NCc1ccco1 5068291 JBQKYEOQIDGEDG-INIZCTEOSA-N 309.365 3.905 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Br)cn2)sc1C 6275841 WEXQTNGZEYDILW-UHFFFAOYSA-N 311.204 3.775 0 40 DHAB Cc1cnc(C(=O)Oc2ccc3oc4ccccc4c3c2)cn1 6305100 YFJPGORVVMSLBB-UHFFFAOYSA-N 304.305 3.904 0 40 DHAB CC[C@@H](OC[C@@H](O)CN(C)C1CCCCC1)c1ccccc1 6356110 ZYEJBRMTHITMNI-RBUKOAKNSA-N 305.462 3.780 0 40 DHAB O=C(Nc1ccc(F)cc1Cl)c1ccc(-n2cccn2)cc1 6654635 JWIMJEYQWOBOIE-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB Cc1ccc2c(COC(=O)c3cccs3)cc(=O)oc2c1C 6790626 IHBQZSQUPCXLBJ-UHFFFAOYSA-N 314.362 3.828 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccccc1F 6978513 BNNRBVPIIBFSRC-SFHVURJKSA-N 306.340 3.740 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7640826 WNSBWIQUKLAVPR-MDWZMJQESA-N 320.392 3.774 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1OC 7973364 GVMNWOHUMHZOJD-UHFFFAOYSA-N 307.296 3.624 0 40 DHAB O=S(=O)(Nc1ccc(-c2nccs2)cc1)c1cccs1 7985453 KDADEHPPSROHEZ-UHFFFAOYSA-N 322.436 3.672 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2[nH]1 12586631 UDHCDCIVGAOLDY-LBPRGKRZSA-N 323.421 3.633 0 40 DHAB COc1ccccc1/N=c1\scc(C)n1Cc1cccnc1 12827003 FZEQAUPNLJQOMV-ZPHPHTNESA-N 311.410 3.542 0 40 DHAB O=C(COc1ccc(F)cc1)Nc1ccccc1C(F)(F)F 14738014 WQROTHSLWJBNKJ-UHFFFAOYSA-N 313.250 3.862 0 40 DHAB CCc1cccc(C)c1NC(=O)Cc1cnn(-c2ccccc2)c1 14898375 SJOGFAIKUWYOJY-UHFFFAOYSA-N 319.408 3.924 0 40 DHAB c1ccc(CCSc2nnc3c(n2)[nH]c2ccccc23)cc1 18043046 DOSGTBDQBGEWHT-UHFFFAOYSA-N 306.394 3.841 0 40 DHAB COc1ccc([C@@H](C)NC(=O)CSCc2ccccc2)cc1 20040488 NZRQCADFEGYQSP-CQSZACIVSA-N 315.438 3.806 0 40 DHAB CC(C)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 20549647 QINSVRMMPBYANP-UHFFFAOYSA-N 315.244 3.596 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCCCCC1 21897504 VFZVQJRJDCTJPT-UHFFFAOYSA-N 315.392 3.644 0 40 DHAB CCc1cccc(C)c1NC(=O)c1c[nH]c2ccccc2c1=O 22233897 NOTRQGAPPYUOGA-UHFFFAOYSA-N 306.365 3.651 0 40 DHAB COCc1cccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 23548347 IAGPSHFHVFKVGZ-LLVKDONJSA-N 305.324 3.602 0 40 DHAB CCOC(=O)c1ccc(Oc2ncnc3ccsc23)cc1 24717111 FRYHHRIXYKNUTR-UHFFFAOYSA-N 300.339 3.660 0 40 DHAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)N1CCc2ccccc21 25051362 YJTNCSGBUSMQPP-GOSISDBHSA-N 324.399 3.552 0 40 DHAB O=C(NCc1ccc(Br)s1)c1ccsc1 25473396 XJXLPEQEDJABHO-UHFFFAOYSA-N 302.218 3.502 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2cc(C)on2)c1 27190929 IJLBPQHYASMRAM-CYBMUJFWSA-N 304.415 3.860 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 27794929 DXKCTJMPJHFWFV-GFCCVEGCSA-N 314.385 3.839 0 40 DHAB CCCOc1ccccc1NC(=O)NCc1ccccc1OC 31023650 ONSWVQIZMZBHDG-UHFFFAOYSA-N 314.385 3.806 0 40 DHAB Cc1ccc(C(=O)CSc2nc(C3CCCC3)n[nH]2)s1 31796772 VTZHMPDBSDTRMW-UHFFFAOYSA-N 307.444 3.807 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2cc(Cl)cn2C)cc1 31914430 SOLKYQIXUPSVGB-UHFFFAOYSA-N 305.809 3.777 0 40 DHAB C[C@@H](OC(=O)c1cncc(Br)c1)c1ccccc1 32766808 IEMRJBTZZLPCJB-SNVBAGLBSA-N 306.159 3.762 0 40 DHAB Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2c(C)noc2n1 36354197 DLYXENAHXNAZNV-UHFFFAOYSA-N 306.325 3.573 0 40 DHAB CC(C)COCCCNC(=O)c1cc(F)c(Cl)cc1Cl 39984344 IFSCDCMHCRJMCK-UHFFFAOYSA-N 322.207 3.925 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)cc1OC 40487955 NERYXMVZVCBGIF-ZBFHGGJFSA-N 315.413 3.724 0 40 DHAB COc1ccc(CN(C)C(=O)CCSc2ccccc2)cc1 44818935 DTYPKBQDMFLZPE-UHFFFAOYSA-N 315.438 3.836 0 40 DHAB CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(C)s2)cc1 54313196 UKJKFLPSFWAVIB-UHFFFAOYSA-N 318.398 3.902 0 40 DHAB Cc1ccoc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 56096889 CTISPHVSQMQVLT-UHFFFAOYSA-N 318.336 3.550 0 40 DHAB Ic1ccccc1/C=N/Nc1ccccc1 57582561 LIYBUNPFPKUXMF-XNTDXEJSSA-N 322.149 3.737 0 40 DHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 58704474 HJIOSXWAKZZASJ-UHFFFAOYSA-N 303.427 3.514 0 40 DHAB Cc1noc(C)c1CSc1nnc(Cc2cccc(F)c2)o1 67754779 CFZSMXLMDRUOBG-UHFFFAOYSA-N 319.361 3.697 0 40 DHAB Cc1nnc([C@H](C)Sc2nnc(-c3ccccc3Cl)o2)o1 69581592 CTJGLKBMUINLOZ-ZETCQYMHSA-N 322.777 3.935 0 40 DHAB O=C(CCN1CC[C@@H](c2ccccc2)C1)Nc1ccc(F)cc1 69593483 WVYPCPOGFCBYFR-MRXNPFEDSA-N 312.388 3.644 0 40 DHAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)n1 71870877 OSVGDHMGSQEKCZ-MRXNPFEDSA-N 323.396 3.723 0 40 DHAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)O)c2)n1 71873574 PXBFAUCFXIHYNJ-UHFFFAOYSA-N 310.275 3.532 0 40 DHAB CNc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72212531 AZPOFURFFQIBQF-INIZCTEOSA-N 311.385 3.597 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1 72214720 JRUCYEWMXXAJRB-AWEZNQCLSA-N 305.422 3.658 0 40 DHAB CCSc1ccc([C@@H](C)NC(=O)NCc2ccncc2)cc1 72271053 WPISSYLZLFVGNI-CYBMUJFWSA-N 315.442 3.754 0 40 DHAB Cc1csc([C@H]2CCCN(C(=O)C[C@H](C)n3cccc3)C2)n1 72298756 IPXAQKWQTFAIEB-GJZGRUSLSA-N 317.458 3.610 0 40 DHAB C[C@@H](Sc1cc(-n2ccnc2)ncn1)c1ccccc1F 77214127 CEZTWSXBPJOCHU-LLVKDONJSA-N 300.362 3.655 0 40 DHAB Cc1noc(C)c1CN1CC[C@@H](OCCCc2ccccc2)C1 79502653 WARUNTAAGKKNGY-GOSISDBHSA-N 314.429 3.515 0 40 DHAB CCc1nnc(CNc2ccc(Cl)c(Br)c2)o1 88535247 NVPMZFMUKPXCOP-UHFFFAOYSA-N 316.586 3.660 0 40 DHAB Cc1ccc([C@H](C)NCCCC(=O)N2Cc3ccccc3C2)o1 89596799 MVPSJEULUWTIDZ-HNNXBMFYSA-N 312.413 3.561 0 40 DHAB COc1ccc([C@H](O)CN[C@H](c2cccs2)C2CC2)cc1 95353000 CJOLNLGSLHEWGN-WBVHZDCISA-N 303.427 3.531 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)C2CCCCC2)cc1 95404426 KBXOZDKGSSXJRM-UONOGXRCSA-N 304.434 3.581 0 40 DHAB C[C@H]1CSc2ccccc2[C@@H]1NC1CCN(C2CC2)CC1 95427075 ZHTRDQRXRWNSCC-SCLBCKFNSA-N 302.487 3.686 0 40 DHAB C[C@H](Cc1cccs1)N(C)C(=O)Cc1ccc(O)cc1Cl 95971284 VVXMIHUYOJACPI-LLVKDONJSA-N 323.845 3.739 0 40 DHAB Brc1cccc(C2(NCC3=CCCOC3)CCC2)c1 95971803 LJPXXMKOKRLNGO-UHFFFAOYSA-N 322.246 3.765 0 40 DHAB Cc1nccn1Cc1ccc(Br)c2cccnc12 96009512 YBMFVXICAKWHSZ-UHFFFAOYSA-N 302.175 3.551 0 40 DHAB Fc1cccc(N2CCC3(CC2)C[C@H](c2cccnc2)CO3)c1 96220312 LOLVSPQIBADOEN-INIZCTEOSA-N 312.388 3.764 0 40 DHAB C[C@H](Nc1ccccc1OCc1cscn1)C1CCOCC1 97045936 QHBMJTZBBMQXIE-ZDUSSCGKSA-N 318.442 3.949 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1coc(-c2cccs2)n1 104812469 WOFYTWUBKSEZSG-AVGNSLFASA-N 316.426 3.846 0 40 DHAB CCOc1ccc(C)cc1NC(=O)c1cc(N)ccc1Cl 216877484 VEVYWBZZSKSLQR-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 224065342 ISKUIHDCNJSWDB-GFCCVEGCSA-N 310.328 3.972 0 40 DHAB CC[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1)C(=O)O 224976234 JWMVZFJOCGRJSU-GFCCVEGCSA-N 319.430 3.725 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2F)cc1 225002744 BJOAXORUZNRINQ-LBPRGKRZSA-N 321.779 3.985 0 40 DHAB CCCOc1ccc(NC(=O)C(C)(C)Br)cc1C 225595330 MMKSJNMDXDTXPC-UHFFFAOYSA-N 314.223 3.896 0 40 DHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225816069 KMCNUIZGXJFOQV-AWEZNQCLSA-N 319.323 3.858 0 40 DHAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc2ccccc12 226211719 ATEILRMMIZTFGE-DTTOXWODSA-N 303.361 3.541 0 40 DHAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1ccccc1 408533372 QQVGDCOMFIFRBG-VAWYXSNFSA-N 301.349 3.796 0 40 DHAB Cc1cccc(C)c1NC(=O)N1CCN(C)C[C@@H]1c1ccccc1 582320591 IABPUPWATXOPNE-GOSISDBHSA-N 323.440 3.824 0 40 DHAB Ic1ccc(-c2ncc3ccccn23)cc1 189734 FWCIGPWZNMURSP-UHFFFAOYSA-N 320.133 3.606 0 40 DHAB Cc1ccc(C2=NC[C@@H](O)Cn3c2c(C)c2cc(C)ccc23)cc1 487424 YYFUCYXTGMMDKT-QGZVFWFLSA-N 318.420 3.778 0 40 DHAB biogenic Cc1cc2oc(-c3ccc4c(c3)OCCO4)c(O)c(=O)c2cc1C 518801 PGWGPYWVEYUYFU-UHFFFAOYSA-N 324.332 3.554 0 40 DHAB biogenic Fc1ccc([C@H]2N(c3ccccc3)C(=S)N3CCCN23)cc1 552421 UYEWESFPTVLZDS-MRXNPFEDSA-N 313.401 3.552 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2cccc3ncccc23)c1 556479 CRBSUTCPFHWPFS-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB CCN(CC)C(=O)CSCc1ccc(Br)cc1 582892 SCGMZNFCUGZMNI-UHFFFAOYSA-N 316.264 3.551 0 40 DHAB CN(C)CCCN1CCC2(CCC[C@@H](C(F)(F)F)C2)CC1 1680246 BJDREZAXPCVNLF-CQSZACIVSA-N 306.416 3.773 0 40 DHAB Cc1ccc(-c2nc(NCCCN(C)C)c3ccccc3n2)cc1 1775400 IQTMTVMZPBOYLY-UHFFFAOYSA-N 320.440 3.969 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1CC 3085383 UKKYSAYHOSKACI-AWEZNQCLSA-N 304.434 3.520 0 40 DHAB CC(C)(C)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 3320272 QTLCNTLZCAFICU-UHFFFAOYSA-N 319.408 3.994 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)CCOc1cccc(C)c1 3417634 KYQVKIWVDRQVOC-HNNXBMFYSA-N 313.397 3.650 0 40 DHAB Cc1cc(Oc2ccc(-c3ccccc3)cc2)n2ncnc2n1 3438569 SFCILXFYNXFIJV-UHFFFAOYSA-N 302.337 3.892 0 40 DHAB Cc1ccc(C)c(CN2C(=O)NC3(CCCCCCC3)C2=O)c1 3545616 LRUATQXXNALUGY-UHFFFAOYSA-N 314.429 3.838 0 40 DHAB CCc1ccccc1NC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062600 YPWXJDXZGZHIFH-UHFFFAOYSA-N 320.392 3.871 0 40 DHAB CSc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)S[C@@H](C)C2 4108135 KJXODPDOVUZZIB-NSHDSACASA-N 318.467 3.608 0 40 DHAB CS(=O)(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4957348 WFRBIVSKHGXLNM-UHFFFAOYSA-N 305.443 3.526 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 5160737 MSRUOXBBGPWHEG-UHFFFAOYSA-N 320.348 3.756 0 40 DHAB CC(C)=CCCC1=CC[C@H]2C(=O)NN(c3ccccc3)C(=O)[C@@H]2C1 5495210 XMGHGZFUAASIJW-QZTJIDSGSA-N 324.424 3.763 0 40 DHAB biogenic O=c1cc2c(nn1Cc1ccccc1Cl)-c1ccccc1CC2 6243042 VAMNWBLTRFSJJP-UHFFFAOYSA-N 322.795 3.711 0 40 DHAB C[C@H](CNC(=O)CCC1CCCC1)NC(=O)CCC1CCCC1 6252705 WPWNEKPCNHDZKY-OAHLLOKOSA-N 322.493 3.548 0 40 DHAB O=C(Nc1nncs1)c1sc2cccc(F)c2c1Cl 6861925 PIFYEIQWZRETBA-UHFFFAOYSA-N 313.766 3.798 0 40 DHAB CCOc1ccc(NC(=O)CCc2ccc(F)cc2)cc1OC 7274044 RSBKGCGYNKYGCS-UHFFFAOYSA-N 317.360 3.804 0 40 DHAB COc1ccc(Cl)cc1C(=O)OCc1nc2ccccc2o1 8278261 CEYXLVIFEMDHDB-UHFFFAOYSA-N 317.728 3.847 0 40 DHAB CCc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1OC 8715002 JVKQHCFQSCUZDV-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB CC(=O)c1ccc2nc(C)c(CN3CCCC[C@@H]3C)c(O)c2c1 8717275 JYBZIMSMLYVLOK-LBPRGKRZSA-N 312.413 3.826 0 40 DHAB Cc1ccc2oc(C(=O)Nc3nc4ccccc4s3)cc2n1 8798739 QPQZAGAIYDYOSQ-UHFFFAOYSA-N 309.350 3.998 0 40 DHAB CCC(=O)N1CCc2ccc(NC(=O)C3CCCCC3)cc2C1 9035292 GATJBFDFHVMJRM-UHFFFAOYSA-N 314.429 3.500 0 40 DHAB CC[C@@H](C)C(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 12088186 MZPINWSYPQZCEI-CQSZACIVSA-N 319.408 3.937 0 40 DHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1CC1 12850803 RPQNAEUOYGSLBJ-UHFFFAOYSA-N 308.740 3.582 0 40 DHAB O=C(Cc1csc(-c2ccco2)n1)NCC1CCCCC1 12874704 BWCZUDSYSZZACF-UHFFFAOYSA-N 304.415 3.642 0 40 DHAB CC(C)NC(=O)c1ccccc1NC(=S)Nc1ccccc1 14009107 WQDWDDQIEFICSE-UHFFFAOYSA-N 313.426 3.634 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)c1ccc2ncsc2c1 14093942 RYAGWWZDIQXUJL-UHFFFAOYSA-N 300.358 3.708 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccccc1 14400501 PCNSIUJOINYLQR-CYBMUJFWSA-N 319.401 3.502 0 40 DHAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1ccc(Cl)cc1 14983119 YIYUGJLYGWSLLU-ZBFHGGJFSA-N 307.821 3.761 0 40 DHAB biogenic COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 18085237 UKJMETMZDXSJDW-SNVBAGLBSA-N 302.399 3.529 0 40 DHAB CC(C)(C)CC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19082638 QDBYFPDDQBFMKO-HNNXBMFYSA-N 312.417 3.571 0 40 DHAB O=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1O 19986587 POJPGFQJAKWRDB-UHFFFAOYSA-N 310.180 3.672 0 40 DHAB CC(C)OC(=O)c1ccc2nc(NC(=O)C(C)(C)C)sc2c1 20411778 HPKOICOXJFGIEE-UHFFFAOYSA-N 320.414 3.846 0 40 DHAB CN(C)C1(CNc2ncnc3sccc23)CCCCCC1 21791057 VZRHGUHGQFBCTI-UHFFFAOYSA-N 304.463 3.758 0 40 DHAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)c1nc(C(C)(C)C)no1 23949417 BRGYVBMDLXBGKY-QMMMGPOBSA-N 323.780 3.521 0 40 DHAB O=C(COc1cc(Cl)ccc1Cl)NC(C1CC1)C1CC1 24830592 KZTVLLJWLJADRO-UHFFFAOYSA-N 314.212 3.677 0 40 DHAB Cc1ccc(/C=C/C(=O)N(CCO)c2ccccc2)cc1Cl 32802473 RLSZDBJCQMQSFK-MDZDMXLPSA-N 315.800 3.687 0 40 DHAB CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 32916573 ONFROECMOQDUCK-JTQLQIEISA-N 319.829 3.677 0 40 DHAB COc1ccccc1CNC(=O)c1c[nH]cc1-c1ccccc1 32926706 OHCDFYSRNFWOQO-UHFFFAOYSA-N 306.365 3.620 0 40 DHAB CCCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38858874 PPUGDHNYFHLAAI-INIZCTEOSA-N 322.880 3.858 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCCc3cc(C)ccc32)c1C 40159957 DDVPWRTVVUHGPX-UHFFFAOYSA-N 310.397 3.736 0 40 DHAB O=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1Br 43879076 IZQLUQUCUBIXLN-VHSXEESVSA-N 311.175 3.523 0 40 DHAB CC(C)NC(=O)Nc1ccc(CNCc2ccccc2F)cc1 48784772 BDVGHSIMUQIEKN-UHFFFAOYSA-N 315.392 3.645 0 40 DHAB Cc1ccc(CN2CC(c3nc(-c4cccs4)no3)C2)s1 49484419 GFDSDIQKGOVBEH-UHFFFAOYSA-N 317.439 3.767 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)c2cccs2)cc1 52169302 YWNFCPCMXVEKFL-UHFFFAOYSA-N 302.443 3.520 0 40 DHAB CCOc1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 55767465 YAIRMRZVYBWCKP-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB Cn1cnn(CN(Cc2ccccc2)Cc2ccccc2)c1=S 57401088 MJVSDHDZXXMTHO-UHFFFAOYSA-N 324.453 3.611 0 40 DHAB Cc1noc([C@H](C)NC(=O)c2sc3cccc(F)c3c2C)n1 64316081 UESSAZRFNQNKOU-QMMMGPOBSA-N 319.361 3.531 0 40 DHAB O=C(Nc1cccc(-c2nccs2)c1)[C@H]1Cc2ccccc2O1 64833686 WIXGUANZMHXIEJ-MRXNPFEDSA-N 322.389 3.752 0 40 DHAB CCN(Cc1csc(N(C)C(C)=O)n1)c1cc(C)ccc1C 65607884 NCTJTIXTDZGXMW-UHFFFAOYSA-N 317.458 3.769 0 40 DHAB CN[C@H](c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72207695 PXDBZPAFECMRLS-HZPDHXFCSA-N 304.434 3.594 0 40 DHAB Cc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1 72238555 OBFHFGCGAWHURR-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB CCn1ncc2c1CCC[C@H]2NCc1csc(C(C)C)n1 72298462 CLMWUQDHCYYBLP-CQSZACIVSA-N 304.463 3.650 0 40 DHAB Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(C2CCNCC2)n1 72363371 YGAFLVOCIVKXFZ-UHFFFAOYSA-N 321.346 3.938 0 40 DHAB CCCn1cc(NC(=O)Nc2cccc([C@H](C)OC)c2)cn1 72943747 JAGXJOQHBLGDTE-LBPRGKRZSA-N 302.378 3.645 0 40 DHAB C[C@@H](OC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2n1C 76093118 HVYHMUBURGLRFL-CQSZACIVSA-N 320.392 3.909 0 40 DHAB C[C@@H]1C[C@@H](NC(=O)C[C@H]2C=CCC2)CCN1Cc1ccccc1 79559274 QHNCYMBLWJRIRF-AOIWGVFYSA-N 312.457 3.512 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC(C(C)C)CC1 80593400 KVBQHFUITNAQBY-UHFFFAOYSA-N 306.454 3.981 0 40 DHAB Clc1cccc(C2(c3nc([C@@H]4CCOC4)no3)CCC2)c1 84367504 RTJJRZJAUXBIPT-LLVKDONJSA-N 304.777 3.697 0 40 DHAB Cc1nc(-c2cccs2)sc1CNC(=O)c1ccccn1 85555959 WKVUSROTZMROOY-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB Cc1ccc2oc(CN[C@H](C)c3nnc4n3CCCC4)cc2c1 89657569 HVIMAAPXWBLEDG-CYBMUJFWSA-N 310.401 3.520 0 40 DHAB Cc1noc(C)c1CNc1cnn(Cc2ccc(Cl)cc2)c1 90200207 WGDGIODKDZUIJL-UHFFFAOYSA-N 316.792 3.802 0 40 DHAB FC(F)Oc1ccc(Br)cc1Br 95215702 BGYPGHZJFUWWGQ-UHFFFAOYSA-N 301.912 3.813 0 40 DHAB COc1cc(C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1OC 95916180 KUWWOVNAJGRIFH-UHFFFAOYSA-N 324.735 3.736 0 40 DHAB Fc1ccc([C@H](Cn2ccnc2)NCc2ccsc2)cc1 96013569 PFRQRRKBTIMSBZ-INIZCTEOSA-N 301.390 3.615 0 40 DHAB Cc1ccc(CN[C@@H](C)c2cn(C)nc2C)c(Br)c1 96483926 RHXYAKJPUJKZKP-NSHDSACASA-N 322.250 3.650 0 40 DHAB CCn1cc(CNc2cccc(COCC(F)(F)F)c2)cn1 97020074 SKMDHKHUMUYQLA-UHFFFAOYSA-N 313.323 3.594 0 40 DHAB COc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C(C)C)cc1 107568696 OQXMLSFAKKQALR-PLYYQAHHSA-N 301.430 3.945 0 40 DHAB c1ccc([C@H]2OCCC[C@H]2c2nc(-c3ccncc3)no2)cc1 193199360 BUMJUSRMOPUOEP-HZPDHXFCSA-N 307.353 3.767 0 40 DHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1 219055046 BSXWVXPDKWDDMZ-CQSZACIVSA-N 317.816 3.856 0 40 DHAB CCOC(=O)c1cc(NC(=O)NC2CCCCC2)ccc1Cl 225755935 DPWZTPFUVFCPQX-UHFFFAOYSA-N 324.808 3.971 0 40 DHAB Fc1cc(F)cc(CN2CCC[C@@H]2c2cccc3nccn23)c1 257229787 FZMBBQLIDXEKTB-MRXNPFEDSA-N 313.351 3.950 0 40 DHAB Cc1cc(CC[C@@H]2CCCN2Cc2scnc2C)ccn1 257233991 GRPNZYDVAANDHC-INIZCTEOSA-N 301.459 3.752 0 40 DHAB CNc1cc([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)ccn1 257301085 RWXYKNKIJMFFLZ-AWEZNQCLSA-N 315.442 3.513 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)nc1)c1ccc(Cl)s1 390830017 IDSHAOBBDNBOIW-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB C[C@]1(C(=O)Nc2nnc(-c3ccccc3)s2)C[C@H]2C=C[C@H]1C2 408710500 WYAYOZZLUWTYPN-BNLOLNQZSA-N 311.410 3.746 0 40 DHAB Cc1cc(CNC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)no1 516719088 OUHCYGOPEVIXTL-OAHLLOKOSA-N 319.792 3.683 0 40 DHAB O=C(Cc1ccc(F)cc1)N1CCc2sc(Cl)cc2C1 519404919 VNRVWNYOGXSGOO-UHFFFAOYSA-N 309.793 3.668 0 40 DHAB O=C(NCc1ccc(Oc2ccccc2)cc1)c1cc(F)c[nH]1 550404117 COSYWQUXCHMAFV-UHFFFAOYSA-N 310.328 3.876 0 40 DHAB CCOC1(CSc2nnc(-c3cccs3)n2C)CCC1 585119014 MQUBVIJNCQHXJX-UHFFFAOYSA-N 309.460 3.595 0 40 DHAB O=C(Nc1cccs1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148839 JDAPELLZTNOGFV-CQSZACIVSA-N 314.410 3.704 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4ccc(Cl)cc4)C[C@H]1CC[C@]23C 407373 SDMJHDVEKJYDPV-BEMMVCDISA-N 305.805 3.874 0 40 DHAB CCN(C(=O)C1CCC1)c1nnc(-c2ccccc2C)s1 1345272 JCMBQXXJYPLZSB-UHFFFAOYSA-N 301.415 3.667 0 40 DHAB CC(C)(C)c1ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c1 1587288 UYFQIQRKQOOFRS-UHFFFAOYSA-N 315.257 3.879 0 40 DHAB Cc1ccc(-n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1 2009670 YRWWUTIFTAESJM-UHFFFAOYSA-N 310.422 3.943 0 40 DHAB CCOC(=O)Cc1c(Cl)cc(C(F)(F)F)c(F)c1F 2509677 NJFDIRUPBNGWKY-UHFFFAOYSA-N 302.626 3.743 0 40 DHAB CCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 2601780 UJAXELBVRBMSIK-UHFFFAOYSA-N 301.434 3.541 0 40 DHAB O=C(COc1ccc(Br)cc1)OCc1ccccc1 3242785 YNHZVFLDSNGHOK-UHFFFAOYSA-N 321.170 3.571 0 40 DHAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3cccs3)n2)c1 4998328 JHTVLYFHDFWSDQ-NSHDSACASA-N 313.382 3.598 0 40 DHAB COc1ccc(CCNC(=O)Nc2c[nH]c3ccccc23)cc1 5299900 JDNZNCRAQMZHPM-UHFFFAOYSA-N 309.369 3.541 0 40 DHAB Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 6558958 HCZVFQMOMAATRN-UHFFFAOYSA-N 303.789 3.709 0 40 DHAB CCCCC[C@H](C)NC[C@H](O)COCc1ccccc1Cl 6940262 LFWAWRNAGYWOIA-HOCLYGCPSA-N 313.869 3.776 0 40 DHAB Cc1nc(S[C@H](C)C(=O)NC2CC2)n(C2CCCCC2)c1C 6973370 MBMBHLBWEARARX-CYBMUJFWSA-N 321.490 3.764 0 40 DHAB Cc1c(C(=O)NCc2ccccn2)oc2c(Cl)cccc12 8190831 NNXHMWGOPFIRRV-UHFFFAOYSA-N 300.745 3.720 0 40 DHAB Cc1ccccc1-c1noc([C@@H]2CC(=O)N(c3ccccc3)C2)n1 9317897 FLUFKTJEDGYDAU-CQSZACIVSA-N 319.364 3.566 0 40 DHAB O=c1[nH]c2ccc(-c3csc(-c4cccc(F)c4)n3)cc2[nH]1 9453380 AEWFLNXWRUCNTQ-UHFFFAOYSA-N 311.341 3.786 0 40 DHAB CC[C@@H](C)c1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 9513355 HMPIGKWSMYOTHM-FZKQIMNGSA-N 324.432 3.842 0 40 DHAB Cc1cnc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)s1 10556094 GOUZKTSLFMEFTO-UHFFFAOYSA-N 312.398 3.506 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1cc(-c2ccccc2)[nH]n1 11750460 RSBRJEWZQFBXBC-UHFFFAOYSA-N 317.392 3.538 0 40 DHAB O=C(NC1(C(=O)O)CCCCC1)c1c(Cl)cccc1Cl 12357198 JRXUWCQVSGKRIJ-UHFFFAOYSA-N 316.184 3.511 0 40 DHAB CCCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 12539517 QPLZXEUKUIEFFG-UHFFFAOYSA-N 311.385 3.750 0 40 DHAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CCC1 12768158 SLXJZDAPCRORDT-UHFFFAOYSA-N 316.304 3.934 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 12784167 LRQRAQOUPKTIII-INIZCTEOSA-N 319.408 3.980 0 40 DHAB Cc1nc(N)nc2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 15424331 CADRVUXEUFGSJB-CYBMUJFWSA-N 309.413 3.577 0 40 DHAB C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 18208062 PCQGCTZCZUSYQM-LLVKDONJSA-N 304.390 3.562 0 40 DHAB Cc1cccnc1-c1cc(O)n2nc(-c3cccs3)c(C)c2n1 19237879 NVHIDZBWGVAUGX-UHFFFAOYSA-N 322.393 3.842 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)c1ccccc1 21555414 JYZSMXVMFPNYIP-UHFFFAOYSA-N 323.371 3.905 0 40 DHAB CCC[C@H](C)NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 22512977 RLOTWPNJUFZWDQ-CVEARBPZSA-N 302.462 3.837 0 40 DHAB C[C@H](NC(=O)NC1CCCC1)c1ccc(Br)cc1 30981125 JPOYGAAVJXSOIG-JTQLQIEISA-N 311.223 3.752 0 40 DHAB CC(=O)Nc1nc(-c2ccc(C(C)C)cc2)c(CC(=O)O)s1 31976095 XHXMUKNRWGVXMS-UHFFFAOYSA-N 318.398 3.519 0 40 DHAB COc1ccccc1-c1csc(NC(=O)C2CCCC2)n1 40089400 XQVGHFQURVEAAT-UHFFFAOYSA-N 302.399 3.947 0 40 DHAB CCN(Cc1cccc(F)c1)C(=O)Nc1nnc(C(C)C)s1 40104053 DMJMDKFMGYASRT-UHFFFAOYSA-N 322.409 3.855 0 40 DHAB CC(C)Oc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 40122338 DUCRNFRDRTXNBQ-CYBMUJFWSA-N 302.201 3.996 0 40 DHAB Clc1cccc(OCc2n[nH]c(-c3ccncc3)n2)c1Cl 40169619 XSCUQQHXWJGWID-UHFFFAOYSA-N 321.167 3.753 0 40 DHAB CNCc1cccc(Br)c1OCc1ccccc1 42303353 ZSRPHJKOZZVWGX-UHFFFAOYSA-N 306.203 3.748 0 40 DHAB in-vitro CCOC(=O)c1cc2cc(NC(=O)[C@H]3C[C@H]3C)ccc2s1 46445971 MZUSERNFBIVZTK-SKDRFNHKSA-N 303.383 3.673 0 40 DHAB O=C(Cc1noc2ccccc12)NCC1(c2ccccc2)CCC1 48236793 KIAKXPPOBVQNNY-UHFFFAOYSA-N 320.392 3.608 0 40 DHAB O=C(Cc1n[nH]c2ccccc12)N1CCC[C@@H]1c1ccsc1 50580144 LMYGEVZVOJSKBY-MRXNPFEDSA-N 311.410 3.531 0 40 DHAB CCc1ccc(CN(Cc2cccnc2)C(=O)NC2CC2)cc1 53733492 JONAPADUJIWFML-UHFFFAOYSA-N 309.413 3.518 0 40 DHAB CCc1cc2c(CN[C@H](C)c3ccccc3)cc(=O)oc2cc1O 57886704 WGCRXLOGKOQKTC-CYBMUJFWSA-N 323.392 3.912 0 40 DHAB Cc1cc(C)cc(C(=O)NCc2nc(-c3ccncc3)cs2)c1 58244830 HEMOSIZRYRWMBK-UHFFFAOYSA-N 323.421 3.752 0 40 DHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C)n1 58326625 ZRGMFNLXEBFBHC-SJLPKXTDSA-N 309.413 3.583 0 40 DHAB Cc1c([C@H](C)Nc2cn[nH]c(=O)c2Cl)oc2ccc(F)cc12 58404306 RSCCMNUFKPLPCK-QMMMGPOBSA-N 321.739 3.790 0 40 DHAB Cc1ccc(-c2nsc(NC(=O)c3cnc(C)s3)n2)s1 66412720 AFYZOTGGOIWYOH-UHFFFAOYSA-N 322.440 3.592 0 40 DHAB c1ccc([C@H](NCc2nnc(-c3ccco3)o2)C2CCC2)cc1 69705867 FNXHKQUPWXEKGW-KRWDZBQOSA-N 309.369 3.961 0 40 DHAB Cc1ccc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)cc1C 71830034 BXLOOBZDIWMOIC-GOSISDBHSA-N 312.413 3.814 0 40 DHAB C[C@@H](NCc1csc(C2CCCC2)n1)[C@@H](C)n1cccn1 71882056 DQNWDYFYRREUEE-CHWSQXEVSA-N 304.463 3.737 0 40 DHAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc2ccccc2o1 75129987 TWNZGHSZRHMCPD-OAHLLOKOSA-N 323.396 3.760 0 40 DHAB COc1ccc(-n2c(C)nnc2SCc2ccccc2)cc1 75331410 NHZYZHOJYWRURB-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB CCOc1nc(N[C@H](C)c2ccccc2)ncc1Br 79092056 ALSRJCOCUQTWML-SNVBAGLBSA-N 322.206 3.811 0 40 DHAB c1ccc(-c2cc(CNc3ccc(-n4cncn4)cc3)on2)cc1 79311334 QRUFLHSSPJHROQ-UHFFFAOYSA-N 317.352 3.534 0 40 DHAB CN(C(=O)Cc1ccccc1O)[C@H](c1ccc(F)cc1)C1CC1 83843904 GEFIVXZFMQODEC-IBGZPJMESA-N 313.372 3.684 0 40 DHAB Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1ccccn1 84013699 RLSVKBMTQAMQRN-UHFFFAOYSA-N 312.348 3.667 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89969152 ZZAUZUMEHNMNJA-BEVDRBHNSA-N 323.436 3.828 0 40 DHAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(Oc2cccnc2)c(F)c1 96422436 FVPQTRHDRYPKQQ-HUBLWGQQSA-N 314.360 3.846 0 40 DHAB CCS(=O)(=O)c1cc[nH]c1-c1ccc(Cl)cc1Cl 96532721 QZCDSGODNDMUKQ-UHFFFAOYSA-N 304.198 3.782 0 40 DHAB COc1ccc([C@@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 101125823 RJYHUHMMBLCXKJ-BYUHPEARSA-N 302.414 3.594 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc(C)cc2Cl)cc1 225000265 WCEKGYSOVYICCP-UHFFFAOYSA-N 303.789 3.929 0 40 DHAB Cc1cc(CC[C@H]2CCCN2C(=O)Cc2ccsc2)ccn1 257235385 GXPPFWOYOWOQRL-QGZVFWFLSA-N 314.454 3.618 0 40 DHAB Nc1ccc(Nc2ccccc2OC(F)(F)F)c(C(=O)O)c1 315142812 WZYRFSFRKXYWTP-UHFFFAOYSA-N 312.247 3.609 0 40 DHAB CC(C)[C@H]1N(C(=O)Nc2cnn(C(C)(C)C)c2)CC12CCC2 562411542 KIFVOGBOUFACFA-CQSZACIVSA-N 304.438 3.681 0 40 DHAB CCCc1nnc(SCc2cnc(-c3ccccc3)o2)o1 585138082 MWPZEVWQNXDWOK-UHFFFAOYSA-N 301.371 3.969 0 40 DHAB COc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)c1OC 1775973936 RMVLVWTTWPIZLI-GJZGRUSLSA-N 313.397 3.561 0 40 DHAB COc1cccc(CN2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)c1 2055751041 BHKACZQMNAFTFH-ACRUOGEOSA-N 322.452 3.527 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc(C)c1F 140447 IPPBUBSQJNKNJG-UHFFFAOYSA-N 315.316 3.522 0 40 DHAB CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 243163 VQFZBWDEAGLVRL-UHFFFAOYSA-N 318.170 3.639 0 40 DHAB OCCN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 2049801 RHNKSODMKAMSHB-AWEZNQCLSA-N 305.830 3.670 0 40 DHAB COc1cccc2cc(-c3cc(=O)oc4ccc(O)cc34)oc12 2126768 WBQSJHIMMDIZDF-UHFFFAOYSA-N 308.289 3.920 0 40 DHAB biogenic O=C(O)/C=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 3316921 SBVOFXWCULDIMN-QLCVYAKKSA-N 314.181 3.656 0 40 DHAB Cc1c(C)n(C[C@@H](O)CN[C@H]2CCCC[C@@H]2C)c2ccccc12 4177784 GDDCYANZONIPGV-FNHZYXHNSA-N 314.473 3.787 0 40 DHAB CC[C@@H](C)NC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 4680433 VPKUVLLRZBDQEJ-MRXNPFEDSA-N 316.489 3.937 0 40 DHAB O=C(O)CSc1nc(/C=C/c2ccccc2)nc2ccccc12 5012935 IOQXHBHTYSQRBY-ZHACJKMWSA-N 322.389 3.977 0 40 DHAB Cc1ccc(C(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccccc23)cc1 5400013 VVEKGHBNLQCSDL-AWEZNQCLSA-N 321.376 3.833 0 40 DHAB C[C@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 6008028 SVAGUECYRSHNGL-LBPRGKRZSA-N 316.426 3.771 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)NC(C)(C)C 6588816 SEQDZOCCHJWOOU-ZHACJKMWSA-N 315.392 3.556 0 40 DHAB O=C1CSC2=NC3=C(CCC3)[C@@H](c3ccccc3Cl)N12 6829348 UTURNGUORNQGLU-CQSZACIVSA-N 304.802 3.764 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccsc2)N1CC(F)(F)F 7113369 BWYDSHZOKYJWON-LBPRGKRZSA-N 312.316 3.877 0 40 DHAB Cc1cc(CSc2nnc(Nc3ccccc3)s2)no1 7371982 DHYZJVNONRGIAU-UHFFFAOYSA-N 304.400 3.870 0 40 DHAB O=C(OCc1csc(-c2ccsc2)n1)c1ccc(O)cc1 7548509 ONBPFMKDTNKADR-UHFFFAOYSA-N 317.391 3.934 0 40 DHAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1 7583990 PUVOZFHMNAMHCI-NSHDSACASA-N 304.390 3.882 0 40 DHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1Cl 7878285 PDMJPEYUJYSBGH-LLVKDONJSA-N 320.845 3.959 0 40 DHAB Cc1cc(NC(=O)CSC2=Nc3ccccc3CS2)no1 7978167 WYSFWYBSYZCHIM-UHFFFAOYSA-N 319.411 3.589 0 40 DHAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccncc1 8428217 YOXGPEMHGQGNQV-LLVKDONJSA-N 308.303 3.520 0 40 DHAB CCc1n[nH]c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1 8734036 QUOWYRVAQCONQK-LKBWSCCASA-N 319.474 3.633 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 9607045 IXDRHWBELOBXRC-UHFFFAOYSA-N 309.321 3.846 0 40 DHAB CN(C)[C@H](CNC(=O)Nc1cccc2ccccc12)c1ccco1 11004390 AOLDNGLXZVCIGD-QGZVFWFLSA-N 323.396 3.857 0 40 DHAB CCc1c(C)nn(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1C 12138166 HYKGGUWVAKMBNC-HNNXBMFYSA-N 300.402 3.787 0 40 DHAB O=c1[nH]c2ccc(-c3csc(-c4ccsc4)n3)cc2o1 14167276 RKBOFSMTUVRGPS-UHFFFAOYSA-N 300.364 3.973 0 40 DHAB Cc1ccc(CC(=O)NCc2ccc(OC(C)C)cc2)cc1C 20491009 ILKOHCJVERPDBB-UHFFFAOYSA-N 311.425 3.950 0 40 DHAB COc1ccc(Cl)c2sc(NCc3cccnc3)nc12 26423888 BNBBWUMBSGNFLW-UHFFFAOYSA-N 305.790 3.965 0 40 DHAB COc1cccc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1OC 32716602 MSANAUHGEBQFEO-IJEWVQPXSA-N 319.445 3.577 0 40 DHAB Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)c2ccc(F)cc2n1 32815545 GUJSUOQKRWYGTL-UHFFFAOYSA-N 320.327 3.811 0 40 DHAB CC(C)c1noc2ncc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc12 33100819 KFLMAZSDZSWOAN-OCCSQVGLSA-N 315.417 3.997 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C 44841611 NLQWHZQTLBEBOB-NSHDSACASA-N 315.866 3.755 0 40 DHAB Clc1cc(-c2nn3cnnc3s2)cc(Cl)c1Cl 45920141 ODUWQZZTCNTIIE-UHFFFAOYSA-N 305.577 3.813 0 40 DHAB CC(=O)Nc1ccc(Cl)c(NC(=O)NC2CCCCC2)c1 55339785 PZSRQIWTVLDKEI-UHFFFAOYSA-N 309.797 3.753 0 40 DHAB Cc1noc(CN[C@H](c2ccccc2)c2cccc(Cl)c2)n1 58264522 VHUDFQCTFXUTOT-QGZVFWFLSA-N 313.788 3.911 0 40 DHAB CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 58341684 LPJFMUHRXHVPBO-GOSISDBHSA-N 316.489 3.938 0 40 DHAB CC[C@H](NC(=O)N1CCc2cc(OC)ccc21)c1cccs1 60550869 YWKNPZSVQVZTTJ-AWEZNQCLSA-N 316.426 3.980 0 40 DHAB CC(C)(C)c1noc(CN(Cc2ccco2)Cc2ccco2)n1 65587657 BYCPMWHEJYMSRF-UHFFFAOYSA-N 315.373 3.756 0 40 DHAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1c(F)cccc1F 65729515 VLUUNKBZTUQECV-UHFFFAOYSA-N 317.270 3.542 0 40 DHAB COc1cccc(OC)c1[C@@H]1CCCN1C(=O)c1ccccc1 72221427 RKSLUNPJJWUUMI-HNNXBMFYSA-N 311.381 3.681 0 40 DHAB O=C(NC[C@H]1CCCO1)c1ccc(Oc2cccc(Cl)c2)o1 72264834 PLCALQNQOKVYKK-CYBMUJFWSA-N 321.760 3.634 0 40 DHAB COc1ccc(C)cc1C(=O)NC[C@@H](c1cccnc1)C(C)C 75107308 CFARNYQIQHYBHP-QGZVFWFLSA-N 312.413 3.568 0 40 DHAB O=C(Nc1nncs1)C1(Sc2ccccc2)CCCC1 78610974 SZSRMOMULVUAEV-UHFFFAOYSA-N 305.428 3.582 0 40 DHAB CC(C)(C)c1csc(Cn2ccc(=O)c3sccc32)n1 89725250 GANSJYDGXIOZIK-UHFFFAOYSA-N 304.440 3.865 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2N[C@@H]1CCN2CCC[C@@H]2C1 89857752 OTWPDRCIRATEGQ-NUJGCVRESA-N 312.457 3.649 0 40 DHAB Cn1ccc2c(NC(=O)c3csc(-n4cccc4)n3)cccc21 95474058 NDRAPFZYDKPFMY-UHFFFAOYSA-N 322.393 3.678 0 40 DHAB CC(C)(C)Oc1ccc(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 95633973 YMVQPYIMCZAIHK-CABCVRRESA-N 302.370 3.714 0 40 DHAB CC(C)C[C@H](NC[C@](C)(O)c1ccsc1)c1ccccn1 95968340 KBCQHUNGCXEDIW-IRXDYDNUSA-N 304.459 3.728 0 40 DHAB NC(=S)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 96026287 CGCVAMBIXGZYRC-UHFFFAOYSA-N 300.814 3.977 0 40 DHAB O=C1CCCCN1CSc1nnc(CCC2CCCCC2)o1 97080605 CCWKZIUHCNMERT-UHFFFAOYSA-N 323.462 3.645 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100538014 XPZDBBLKGGQCOM-QQXRRDQMSA-N 310.180 3.529 0 40 DHAB CNC(=O)c1cc(C)ccc1NCc1coc(-c2ccccc2)n1 159584123 OCLUJDLBJDWAJZ-UHFFFAOYSA-N 321.380 3.622 0 40 DHAB CCOc1ccc(C(=O)n2c(C)c(CO)c3ccccc32)cc1 216957718 OBAZRBINOCCXAS-UHFFFAOYSA-N 309.365 3.529 0 40 DHAB CCOc1cccc(CNC(=O)c2ccc(OC)c(Cl)c2)c1 222559208 FDYNWRDCADMAHU-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB Cc1cc(Cl)cnc1NC(=S)NCCCc1ccccc1 223962056 ZKFFYLWLOMGPCU-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB CNC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224225395 JDBQLHNXOUIXFA-UHFFFAOYSA-N 313.397 3.757 0 40 DHAB CCOc1ccc(-c2cnc(CCC(=O)N[C@@H](C)CC)o2)cc1 224854978 BKKBKINVCPGJOD-ZDUSSCGKSA-N 316.401 3.588 0 40 DHAB COc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1Cl 225122338 IRKMVSUKBPUVLY-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB O=C(O)[C@@H](Cc1ccccc1Oc1ccccc1)N1CCCC1 225152271 QMNIQOCJGWKUJM-QGZVFWFLSA-N 311.381 3.570 0 40 DHAB O=C(O)[C@H](Cc1ccccc1Oc1ccccc1)N1CCCC1 225152311 QMNIQOCJGWKUJM-KRWDZBQOSA-N 311.381 3.570 0 40 DHAB CC1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 245253816 GOJANQILHWLMMS-CADBVGFASA-N 311.510 3.557 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC(c2cnccn2)CC1 257340448 ZGEQKIAEGXUZGG-UHFFFAOYSA-N 323.421 3.711 0 40 DHAB Cc1cccc(CN(C)C(=O)NCC2(c3ccccn3)CCC2)c1 554305309 KRQHFLORXXGYSX-UHFFFAOYSA-N 323.440 3.653 0 40 DHAB c1ccc(-c2cc(CN3CC[C@H](c4cccnc4)C3)no2)cc1 571080252 QRQILBAEQWONBR-KRWDZBQOSA-N 305.381 3.726 0 40 DHAB CO[C@@H](CNC(=O)c1cc(C)oc1C)c1cc2ccccc2o1 575415627 JDIWSBBVMZPHLW-KRWDZBQOSA-N 313.353 3.760 0 40 DHAB CCS[C@H]1CCCCN(C(=O)c2ncoc2C(C)(C)C)C1 585089619 LIGZRKGRISHSDW-LBPRGKRZSA-N 310.463 3.720 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@]12O[C@H]2c1ccc(Cl)cc1 152921 MYNCDMBDBDYXHG-RDJZCZTQSA-N 312.756 3.573 0 40 DHAB COc1ccc2nc(SC(=O)c3ccccc3)nc(C)c2c1 198992 CPBBNSZJGREQOL-UHFFFAOYSA-N 310.378 3.879 0 40 DHAB Fc1ccc(Cc2nn3c(Cc4ccccc4)nnc3s2)cc1 385285 WFXHJMYJOMPKID-UHFFFAOYSA-N 324.384 3.507 0 40 DHAB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1C 418118 QUMPBKYNONSAID-UHFFFAOYSA-N 314.366 3.921 0 40 DHAB Brc1cccc([C@H]2CC(c3ccccc3)=NN2)c1 568152 FFAIPLOSAXUGER-OAHLLOKOSA-N 301.187 3.888 0 40 DHAB O=C1c2ccccc2C(=O)N1OCc1ccc(Cl)c(Cl)c1 1401812 MFHSFGWIMQQPTJ-UHFFFAOYSA-N 322.147 3.721 0 40 DHAB C[C@H](COc1ccccc1Cl)OC(=O)Cc1ccccc1 1583802 GJHDKNPMGVUYHC-CYBMUJFWSA-N 304.773 3.893 0 40 DHAB O=C(c1ccc(CN2CCSCC2)cc1)C1CCCCC1 2514819 FNYRLOFGBBVSAO-UHFFFAOYSA-N 303.471 3.998 0 40 DHAB Cc1ccccc1CN(C)CC(=O)N[C@H]1CCCc2ccccc21 3423772 RDLOHYCJUWIJSN-FQEVSTJZSA-N 322.452 3.621 0 40 DHAB COc1cc2c(cc1NC(=O)c1cnccn1)oc1ccccc12 3444452 KIGLLXWVFLAXCC-UHFFFAOYSA-N 319.320 3.637 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]2CCCC[C@@H]21 4713251 QRNACKXLZPQDKE-DOMZBBRYSA-N 313.850 3.683 0 40 DHAB COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C(=O)C[C@@H]12 5004454 MABBDZWYIBJBFO-NZSAHSFTSA-N 316.397 3.519 0 40 DHAB O=C(COc1cccc2cccnc12)Nc1ccc2c(c1)CCC2 6128091 WLOMYEBRTVYFKC-UHFFFAOYSA-N 318.376 3.741 0 40 DHAB CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 6541700 BMNGQKNNFGTYKR-UHFFFAOYSA-N 317.772 3.950 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(F)cc2)c(C)c1 7248963 CPKCQMPUNZTEPY-UHFFFAOYSA-N 321.417 3.572 0 40 DHAB Cc1c(Cl)cccc1NC(=S)N(C)CCc1ccccn1 7528789 BSYPKXVYCFZLFP-UHFFFAOYSA-N 319.861 3.915 0 40 DHAB O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1cccs1 8071222 OWDTXOGTLHIJNX-UHFFFAOYSA-N 314.288 3.501 0 40 DHAB CNCc1cc(Br)ccc1OCc1ccc(F)cc1 8377354 GADXMNPBMHTWLL-UHFFFAOYSA-N 324.193 3.887 0 40 DHAB Cc1noc(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 8428801 AYPWQEQMNGKWHS-UHFFFAOYSA-N 312.291 3.882 0 40 DHAB OC1=Nc2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(O)c2)C1 8991327 JWCRJMSVGSXMEY-AWEZNQCLSA-N 305.337 3.906 0 40 DHAB CCCCc1nnc2sc(-c3ccc(OCC)cc3)nn12 11278019 FHVNRVYCNPOOKN-UHFFFAOYSA-N 302.403 3.594 0 40 DHAB Cc1nc2cc(NS(=O)(=O)c3ccccc3Cl)ccc2o1 12535923 VHUCGHHCKKCYNY-UHFFFAOYSA-N 322.773 3.590 0 40 DHAB CC(C)Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 12608599 IPUMLJXXWOFDNZ-UHFFFAOYSA-N 314.389 3.969 0 40 DHAB CC(C)(C)Nc1nnc(SCc2cccc(C(=O)O)c2)s1 12789252 JGKADQIMNIXJEI-UHFFFAOYSA-N 323.443 3.739 0 40 DHAB Cc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 12797103 UUBVAUQIGPZTPC-UHFFFAOYSA-N 317.392 3.922 0 40 DHAB Cc1ccc(CNC(=O)/C=C/c2ccc3ccccc3n2)cc1 13140961 AWRXELWCKWRKFU-OUKQBFOZSA-N 302.377 3.873 0 40 DHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1C 13647362 ZCUQVCUKNKLZAX-OUKQBFOZSA-N 309.365 3.824 0 40 DHAB COc1ccccc1[C@@H](CC(=O)NCc1cccnc1)C(C)C 13730764 DFSAQZSDXXMGCR-KRWDZBQOSA-N 312.413 3.536 0 40 DHAB CCCCCC1=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)C1 13897421 QWTUCVIXRRHBPM-ZDUSSCGKSA-N 324.343 3.814 0 40 DHAB CCCCC(=O)Nc1ccc(I)cc1F 14258261 VHBKFYOFSWQOEE-UHFFFAOYSA-N 321.133 3.559 0 40 DHAB COc1ccccc1C(=O)N1CCc2cc3cccc(C)c3nc21 15842012 QKLQEWCHRQAVNA-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB Cn1c(Cc2cccs2)nnc1SCc1ccccc1F 17055028 UGKJSNXLNXMLRR-UHFFFAOYSA-N 319.430 3.899 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1F 18014018 IFGUGMMEFMKGIM-CYBMUJFWSA-N 301.361 3.942 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(OC(C)C)cc2)cc1 18074940 GHUVGNIAAXAHNU-UHFFFAOYSA-N 313.397 3.591 0 40 DHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H]2C[C@H]2C)n1 19240127 OTODIUSYVOENSR-ICCXJUOJSA-N 306.456 3.569 0 40 DHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccsc1 22537639 NYMBTZLFWUODCZ-UHFFFAOYSA-N 310.758 3.625 0 40 DHAB c1cc(Cn2cccn2)cc(Nc2ncnc3ccsc23)c1 25503319 SOUSWTJSVDTBOP-UHFFFAOYSA-N 307.382 3.680 0 40 DHAB CCn1nc(C)c2c(C(=O)Nc3cccc(C)c3C)cc(C)nc21 28243909 GOWUFMXCULPTAJ-UHFFFAOYSA-N 322.412 3.937 0 40 DHAB CN(CC(=O)Nc1cccc(Cl)c1)[C@H]1CCc2ccccc21 29482969 UKXXAOVUAKNERU-KRWDZBQOSA-N 314.816 3.898 0 40 DHAB COc1ccc2nc([C@H]3CCN(Cc4ccc(C)cc4)C3)[nH]c2c1 35446794 VZNVEPRUQCMHSW-INIZCTEOSA-N 321.424 3.869 0 40 DHAB biogenic,in-vitro CC(C)(C)c1nnc([C@H]2CCN(Cc3c[nH]c4ccccc34)C2)o1 49170636 LGYDSJYUQMRIOM-ZDUSSCGKSA-N 324.428 3.838 0 40 DHAB biogenic,in-vitro C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1 49890890 VMKZHGTVMCCPBU-CYBMUJFWSA-N 303.789 3.766 0 40 DHAB O=C(NCc1csc2ccccc12)c1n[nH]c2ccccc12 57837817 BCAIYFXTHPUVPC-UHFFFAOYSA-N 307.378 3.708 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1Cc1ccccc1Cl 65184386 MPDDPWUPDVPRNW-UHFFFAOYSA-N 322.191 3.915 0 40 DHAB CCCNC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 70038995 MAAYBVKDAZCJJD-WPUWVODUSA-N 320.436 3.993 0 40 DHAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCC1CC1 71795988 KWFVAACREABEGX-UHFFFAOYSA-N 304.242 3.753 0 40 DHAB Fc1ccccc1NCc1cc(-c2ccccc2)cn2nnnc12 72392307 FTHFWHPSUGPDNB-UHFFFAOYSA-N 319.343 3.543 0 40 DHAB C[C@H](NCc1ccccc1F)c1noc(Cc2ccccc2)n1 80345920 AJFADADWVLTKTQ-ZDUSSCGKSA-N 311.360 3.650 0 40 DHAB CC[C@@H](N[C@H](C)c1ccc(OC)cc1F)c1c(C)nn(C)c1C 95968717 MGTYKPHEBLNZGX-PIGZYNQJSA-N 319.424 3.987 0 40 DHAB CC(C)[C@@H](C)S(=O)(=O)[C@@H](C)c1ncc(-c2ccccc2)o1 97014833 DALJSHVCECEJGJ-OLZOCXBDSA-N 307.415 3.862 0 40 DHAB O=C(c1occc1-c1ccc(F)cc1)N1CCc2cnccc21 97098004 BQXXFSJCVFONEV-UHFFFAOYSA-N 308.312 3.684 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 113954816 WRMMKKLGHXNWQL-YLFCFFPRSA-N 301.430 3.684 0 40 DHAB Brc1nc(-c2ccccc2)oc1Br 136854053 OSPFUGIIHNUXQY-UHFFFAOYSA-N 302.953 3.867 0 40 DHAB CCC(=O)N(C)c1ccccc1C(=O)N(C)[C@H](C)c1ccccc1 193027316 UQHVQLOMAKRFQK-OAHLLOKOSA-N 324.424 3.893 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NC(C(C)C)C(C)C)cc1 216372203 OMYKATLXPKREQY-CYBMUJFWSA-N 309.475 3.973 0 40 DHAB CCCNC(=O)c1ccc(Nc2ccccc2OCC)c(N)c1 225431109 APWNTQKRMJBMMI-UHFFFAOYSA-N 313.401 3.551 0 40 DHAB Cc1ccccc1NC(=O)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225679621 ADMLJIZIEKXRLO-HNNXBMFYSA-N 324.380 3.745 0 40 DHAB CCOc1ccccc1NC(=S)NC1(CCOC)CCCC1 225847980 MVNMLNKIVWVYLJ-UHFFFAOYSA-N 322.474 3.721 0 40 DHAB CCCCOc1ncc(NC(=O)[C@@](C)(CCC)OC)cc1C 225884409 ASJLXDDSENGRII-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB O=C(CCCn1cc(-c2ccccc2)cn1)Nc1ccccc1 227165229 JOURDTIBTQJAQZ-UHFFFAOYSA-N 305.381 3.969 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 257344342 ZWTWHLBKUUWMAD-KRWDZBQOSA-N 306.413 3.646 0 40 DHAB COc1cccc(C(=S)NCc2ccc(Cl)cc2)c1OC 408576183 VPMUGQSIRQUWLS-UHFFFAOYSA-N 321.829 3.823 0 40 DHAB CCc1cccc2c(C=O)cn(CC(=O)N(C)c3ccccc3)c12 409196688 XZTBJJUREZIMOW-UHFFFAOYSA-N 320.392 3.679 0 40 DHAB C[C@@H](NCc1ccc2ncccc2c1)c1cn2ccccc2n1 514681804 AHLUIQJWMPDFDJ-CQSZACIVSA-N 302.381 3.733 0 40 DHAB O=C(Oc1ccc2ccc(=O)oc2c1)c1cc2ccccc2o1 28948 QCSCJNUGOXJJSR-UHFFFAOYSA-N 306.273 3.758 0 40 DHAB CSc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 571897 DUEYARXWLOTLRS-UHFFFAOYSA-N 307.440 3.826 0 40 DHAB CN1C(=O)/C(=C\c2ccc(Br)cc2)c2ccccc21 575064 NQKLYDSSGXCLDH-UVTDQMKNSA-N 314.182 3.966 0 40 DHAB COc1cc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)ccc1O 818119 UULFMCFEJJAVBH-LJQANCHMSA-N 321.380 3.854 0 40 DHAB Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)s1 2639478 BPMTXYNLYBDIHY-SNVBAGLBSA-N 310.806 3.819 0 40 DHAB COc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)cc1 3128554 ZKGVQHCNBPZYLC-UHFFFAOYSA-N 313.744 3.993 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 3343718 PBFOLXGMIDNFMC-JTQLQIEISA-N 307.752 3.979 0 40 DHAB CSc1ccccc1C(=O)Nc1nc2c(s1)CCCC2 3346610 OVYWJYLSQKCMLA-UHFFFAOYSA-N 304.440 3.996 0 40 DHAB CSc1ccccc1NC(=O)COC(=O)c1ccccc1C 3487397 OBHPQUWCAXVRCM-UHFFFAOYSA-N 315.394 3.512 0 40 DHAB Cc1ccc(C)c(NC(=O)CSc2ccccc2C(=O)O)c1 4217595 XLTXTBMYMWXWRG-UHFFFAOYSA-N 315.394 3.732 0 40 DHAB COC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc(C)c1C 4628424 UHVVEARQIVVNGF-QJPTWQEYSA-N 307.415 3.526 0 40 DHAB CC(C)C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 4694491 GSJBILDUFGGDEH-UHFFFAOYSA-N 322.408 3.874 0 40 DHAB COc1cccc(O[C@@H](C)CNC(=N)Cc2cccc(C)c2)c1 5782247 JRYTUFKIORWTNI-HNNXBMFYSA-N 312.413 3.580 0 40 DHAB in-man Cc1ccc(SCCOC(=O)c2n[nH]c3ccccc23)cc1 6619109 ISMUVLVSDYYGND-UHFFFAOYSA-N 312.394 3.820 0 40 DHAB Cc1ccc2onc(CC(=O)Nc3ccc(Cl)cc3)c2c1 6839431 MGRBNRLEMXPXRA-UHFFFAOYSA-N 300.745 3.971 0 40 DHAB O=C(Nc1ccccc1Br)c1c(F)cccc1F 6863793 UQJVZAKVKZRKMF-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CCN(C(=O)[C@H](C)Sc1nc(C)cs1)c1ccccc1 7007707 QWLQWYBOAXJOGG-LBPRGKRZSA-N 306.456 3.985 0 40 DHAB CN(C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 8061576 UNWPLJIQEXWQAQ-UHFFFAOYSA-N 322.408 3.520 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccccn2)c1 9155032 CECLEMHDHLFGPN-HNNXBMFYSA-N 312.413 3.770 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1c(F)cccc1F 9694993 JSEOKCOLOBCRLY-UHFFFAOYSA-N 317.744 3.560 0 40 DHAB Cc1cc(NC(=O)C2CCCCC2)ccc1N1CCCC1=O 10220923 QBDDDGNOMVRYCB-UHFFFAOYSA-N 300.402 3.641 0 40 DHAB CCCN(CCC)C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 10383804 XNOVPCDBVNCATK-NRFBVMONSA-N 323.521 3.702 0 40 DHAB CSc1ccc(C(=O)CCC(=O)Nc2ncc(C)s2)cc1 10627685 NKDNFIQMSPOFPX-UHFFFAOYSA-N 320.439 3.775 0 40 DHAB COc1ccc(-c2cc3ncnc(-n4ccnc4)c3s2)cc1 12530394 QWEURDFLFWPEAP-UHFFFAOYSA-N 308.366 3.553 0 40 DHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC=O)CC[C@@H]12 12659413 YFIVNBTYXVUCHU-RGJFDMQWSA-N 319.489 3.505 0 40 DHAB Cc1cccc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 12871350 JQCXVMCVOCPLAH-CYBMUJFWSA-N 312.369 3.649 0 40 DHAB COc1ccc(/C=C/c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 13638662 IFKRIEGMEQAODE-FMIVXFBMSA-N 304.349 3.616 0 40 DHAB CCN(CC)C(=O)CCC(=O)N(c1ccccc1)c1ccccc1 13898423 LADSADDQZGETAE-UHFFFAOYSA-N 324.424 4.000 0 40 DHAB O=C1O[C@H](Nc2nc3ccc(F)cc3s2)c2ccccc21 13999647 SLZHZAZTFRWLOI-ZDUSSCGKSA-N 300.314 3.717 0 40 DHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)[C@@H]1CC=CCC1 14728803 XYONMMQSWQMIJG-CQSZACIVSA-N 322.412 3.525 0 40 DHAB C[C@H]1C[C@@H](C)CN(Cc2nc(-c3cccc(Cl)c3)no2)C1 16335340 RKTAVHHFLGLJFQ-TXEJJXNPSA-N 305.809 3.868 0 40 DHAB CC/C(NCCC(C)C)=C1\N=C(c2ccc(Cl)cc2)OC1=O 20032636 QLCCIFBBEUJHJD-CCEZHUSRSA-N 320.820 3.901 0 40 DHAB CCOc1ccccc1C(=O)N(Cc1ccco1)c1ccccn1 21524361 ZIHCGLMZVYLAEA-UHFFFAOYSA-N 322.364 3.920 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)C)on2)cc1 21791135 PHFOPUJYCIWBAL-MRXNPFEDSA-N 314.385 3.784 0 40 DHAB CN(C)c1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1 23001821 IUQAUKQMVLNGCS-UHFFFAOYSA-N 316.832 3.769 0 40 DHAB CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 27205718 LJHWMEFOWPATJQ-WOJBJXKFSA-N 323.436 3.855 0 40 DHAB Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 30644423 FHHJTBGPCKJRBM-SFHVURJKSA-N 309.388 3.747 0 40 DHAB Cc1cc(NCCc2ccc(Cl)cc2Cl)n2ncnc2c1 35047935 XXIHIVBRAZLLDG-UHFFFAOYSA-N 321.211 3.999 0 40 DHAB CC(C)(C)c1nc(CSc2nc(-c3cccs3)n[nH]2)no1 36735344 SYKPRXLJQCYWTK-UHFFFAOYSA-N 321.431 3.506 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@H](c1ccccc1)C1CCCCC1 40108828 ZUNVXFBTAWXAJD-PKOBYXMFSA-N 301.430 3.993 0 40 DHAB Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1F 41091288 BFHLGYOUKUEIMU-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@@H](C)O1 43552848 ASCSJVMFUOMHCF-AOOOYVTPSA-N 316.373 3.642 0 40 DHAB Cc1ccc(-c2nc3cnccn3c2NCc2ccco2)s1 57721468 BWNGISVMGWSOFG-UHFFFAOYSA-N 310.382 3.971 0 40 DHAB CCCCN(C)CC(=O)Nc1ccc(N(CC)C(C)C)cc1 57832543 LCUCPUIWRGCEQB-UHFFFAOYSA-N 305.466 3.592 0 40 DHAB Cc1noc(C)c1NC(=O)Cc1csc(-c2ccccc2)n1 58004989 OXROZHAOYQAAQJ-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB CSc1nnc(CN2CCC[C@H]2CCc2ccccc2)s1 68322600 CCTUSPHDFQGYBF-AWEZNQCLSA-N 319.499 3.857 0 40 DHAB CCOc1cccc([C@@H](C)NC(=O)Cc2csc(CC)n2)c1 68747919 UTIDUPXEGYVOCS-GFCCVEGCSA-N 318.442 3.524 0 40 DHAB C[C@@H](Oc1ccc(-c2nnco2)cc1)c1nc(C(C)(C)C)no1 71913925 CUVDIGGJCNBFMF-SNVBAGLBSA-N 314.345 3.557 0 40 DHAB CC(C)Oc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72211967 FGKXWMHYDFGLQA-QGZVFWFLSA-N 310.397 3.846 0 40 DHAB CC(=O)N1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216677 RVWVUXUWPOLEOI-KRWDZBQOSA-N 301.434 3.536 0 40 DHAB O=C(c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 72225763 QALZQEJOGYANQA-UHFFFAOYSA-N 314.388 3.875 0 40 DHAB CC(C)[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1 72230449 LKUXLVWLDUUYHF-QGZVFWFLSA-N 309.475 3.883 0 40 DHAB CC(C)c1csc([C@H]2CCCN(C(=O)C3=COCCC3)C2)n1 72297264 AKDSMUBQWQQNPQ-ZDUSSCGKSA-N 320.458 3.667 0 40 DHAB CCSc1ccccc1C(=O)NCC[C@@H](O)c1cccs1 77113853 PLBNWKFBVCVURY-CYBMUJFWSA-N 321.467 3.714 0 40 DHAB O=C(NC1CCCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 78265123 BJKDKWWZKSEZAD-INIZCTEOSA-N 312.417 3.742 0 40 DHAB O=C(C[C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccco1 84578909 CVAYIXFWHQDWSX-GOEBONIOSA-N 311.381 3.900 0 40 DHAB O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCCC1 95394827 TVPDRBWLHJFDAH-UHFFFAOYSA-N 302.761 3.763 0 40 DHAB Cc1cccc([C@H](C)CNC2CCN(Cc3ccccn3)CC2)c1 96478275 NPRGCBSJLCDDIZ-GOSISDBHSA-N 323.484 3.748 0 40 DHAB COc1ccc2oc(CNc3cc(CN(C)C)ccn3)cc2c1 97045297 JVTXUBIPDAEXFK-UHFFFAOYSA-N 311.385 3.510 0 40 DHAB O=C(c1c[nH]nc1C1CCCCC1)N1CCc2ccccc2C1 97370385 MZROUXONDFHMTC-UHFFFAOYSA-N 309.413 3.656 0 40 DHAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1 101275515 UIGIQHJEYUMYOP-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB C[C@@H]1C[C@@H](N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)CCO1 108489462 AOYHLFHFBYGRBL-KKZNHRDASA-N 303.233 3.794 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 113959665 DQFNOADMHNNLAW-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccncc1 223910112 OMQUBXHZYWZJAA-UHFFFAOYSA-N 309.394 3.828 0 40 DHAB COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)cc1C 224255776 IKRPQCVBVGYBAP-OAHLLOKOSA-N 313.397 3.509 0 40 DHAB CC[C@H](NC(=O)COc1ccccc1)c1ccc(OC)c(C)c1 225254809 UHZVMKGGKPOWKR-KRWDZBQOSA-N 313.397 3.650 0 40 DHAB CCOc1ccccc1Nc1ccc(C(=O)OC(C)C)cc1N 225430993 ZYWOKXOVDDMVHD-UHFFFAOYSA-N 314.385 3.976 0 40 DHAB CCOc1ccc(CNC(=O)NC2CCCCC2)cc1OCC 225756266 LZILGZPZPCZGDW-UHFFFAOYSA-N 320.433 3.616 0 40 DHAB CCCOC1(C(=O)Nc2ccc(OC)nc2C)CCC(C)CC1 225912314 KMTCTRMCXYPTFY-UHFFFAOYSA-N 320.433 3.713 0 40 DHAB O=C(CCc1cccs1)N1CCC[C@@H](Cc2cccnc2)C1 257301821 SABHYYIHAZCJIZ-INIZCTEOSA-N 314.454 3.557 0 40 DHAB CC(C)N1CCC[C@@H](c2nccnc2-c2cnn(C(C)C)c2)C1 257333881 YDMRWYPDLRTTQK-OAHLLOKOSA-N 313.449 3.509 0 40 DHAB CCOc1ccc(O[C@@H](C)c2nnc([C@@H]3CCCCO3)o2)cc1 521393798 DZPSQJSRHSFCNA-WFASDCNBSA-N 318.373 3.850 0 40 DHAB Cc1nc(CNc2cnn(-c3ccc(Cl)cc3)c2C)[nH]c1C 565243026 VHYOFQIXPCGMDK-UHFFFAOYSA-N 315.808 3.786 0 40 DHAB O=C1CC[C@H](C(=O)Nc2c(F)cc(F)cc2Cl)n2cccc21 575603193 NYLPDPHGMHUSOX-GFCCVEGCSA-N 324.714 3.576 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1c(C)cccc1C 551745 ALPBAZZVIRWSTE-QGZVFWFLSA-N 313.353 3.602 0 40 DHAB Cc1ccc(C(=O)[C@H](C)Sc2nnc3ccccn23)cc1C 2637881 GGPJSYIIDHAOJB-ZDUSSCGKSA-N 311.410 3.710 0 40 DHAB Cc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 3200126 PPQAERYAIZOXFF-UHFFFAOYSA-N 323.436 3.855 0 40 DHAB Cc1ccc(F)cc1NC(=O)COC(=O)c1cccc(Cl)c1 3385480 SALSLUVQXSMVTC-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCc3ccccc32)cc1 3419785 LXWYLFGKUJXXOB-CQSZACIVSA-N 322.408 3.669 0 40 DHAB Cc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)N(C)C 3431527 GELVCFJPDRVBIG-UHFFFAOYSA-N 313.785 3.689 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 3479955 KADCOKJXBGMPCS-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB CNC(=S)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 3765657 PALXKTBPCHKKQT-BBRMVZONSA-N 315.486 3.700 0 40 DHAB Cc1cc2nc(SCC(=O)Nc3ccccc3)[nH]c2cc1C 5006733 BSVMTCQXAOPGIG-UHFFFAOYSA-N 311.410 3.911 0 40 DHAB Cc1ccccc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 6396418 KUPXCMBCAKNOQL-UHFFFAOYSA-N 306.365 3.709 0 40 DHAB COc1ccc(C(=O)Cn2c(Cl)nc3ccccc32)cc1 7453651 MOHGSMMTQPPBRA-UHFFFAOYSA-N 300.745 3.581 0 40 DHAB COc1cccc(NC(=S)NCCSCc2ccco2)c1 7582904 DIUIQVFOKCSOOI-UHFFFAOYSA-N 322.455 3.508 0 40 DHAB Fc1cccc(CCNc2ncnc3sc4c(c23)CCC4)c1 7903999 LOHFMLYOXIITCI-UHFFFAOYSA-N 313.401 3.974 0 40 DHAB Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 7929067 QZEFAYIJOXWLAO-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB Cc1cc(=O)oc2cc(OCc3nc4ccccc4o3)ccc12 8006661 KNBHPSUIBKAJFR-UHFFFAOYSA-N 307.305 3.822 0 40 DHAB Cc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1C 8587484 CKHQQOMJKAXFRA-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB Cc1csc(CNc2ncnc3sc4c(c23)CCCC4)n1 9315311 LGCARMPSPZVIQJ-UHFFFAOYSA-N 316.455 3.947 0 40 DHAB CC(C)[C@@H](CC(=O)N(C)[C@H]1CCOC(C)(C)C1)c1ccco1 9547320 WVZVDSQHFZNLSC-LSDHHAIUSA-N 307.434 3.825 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 10405416 LHBGXWHBEJUJEA-UHFFFAOYSA-N 303.745 3.640 0 40 DHAB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)on1 12422413 NJFZCVBMHXDRBG-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB c1ccc2c(CCNCc3ccc(-n4ccnc4)cc3)c[nH]c2c1 12540294 QPYCRFYXOIHNLB-UHFFFAOYSA-N 316.408 3.686 0 40 DHAB Cn1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)n1 14171817 BPQGXAPOWXYVMD-UHFFFAOYSA-N 301.733 3.586 0 40 DHAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14258507 CVFUAKYASCVHGC-BJMVGYQFSA-N 321.380 3.632 0 40 DHAB Cc1ccc(OC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 14466280 KQMLHMDFNDUHDH-UHFFFAOYSA-N 322.364 3.505 0 40 DHAB CCOc1ccc(NC(=O)COc2cccc3cccnc23)cc1 14737480 GWFIYPDDLSSAOP-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB CC[C@@H](C)n1cc(/C=C2/NC(=O)N(CC)C2=O)c2ccccc21 15013924 CTDQRVCFKGOLRR-JXCQQFQQSA-N 311.385 3.525 0 40 DHAB CCN(CC(=O)NCc1cccs1)Cc1cccc(Cl)c1 15295337 HQXBZFZANKQEFV-UHFFFAOYSA-N 322.861 3.540 0 40 DHAB CCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1 18135055 JJWIKSNDYLETNK-GOSISDBHSA-N 310.397 3.916 0 40 DHAB Cc1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19287290 GPJVPSKSFOPVDH-YRPNKDGESA-N 307.441 3.847 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2CC)cc1 21596422 VQKCZDCJPBGREH-UHFFFAOYSA-N 312.438 3.938 0 40 DHAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(C)c(F)c2)c1 24581426 OWVFVTRGJNSRDV-UHFFFAOYSA-N 324.359 3.665 0 40 DHAB O=C(CCn1cnc2ccccc21)Nc1cccc2c1CCCC2 30013423 PMQIGGGVSMTKCH-UHFFFAOYSA-N 319.408 3.944 0 40 DHAB CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 30854513 RSKUVWFJOMPFKE-SOGBHIHOSA-N 309.365 3.696 0 40 DHAB CC(=O)c1cccc(NC(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 32610332 RKTHQXOKQFJOKM-UHFFFAOYSA-N 320.352 3.923 0 40 DHAB Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)c(C)n1C1CC1 32738191 XEULOADRJCVPPS-QGZVFWFLSA-N 310.397 3.693 0 40 DHAB C[C@H](NC(=O)CN1CCCC[C@@H]1C)c1cccc2ccccc12 32753293 JPHNFGDUMGHUFQ-HOTGVXAUSA-N 310.441 3.891 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccccc2C(C)(C)C)C1 37530375 VMQLBGCPIVMCQJ-BBWFWOEESA-N 319.489 3.702 0 40 DHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)C1CCCC1 40108477 GUIBWHVFUUWALD-LLVKDONJSA-N 310.235 3.687 0 40 DHAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCCCC3)cc12 40159820 JGFYASFLJZCZQW-UHFFFAOYSA-N 305.447 3.688 0 40 DHAB Cc1ncc(CN(C)C(=O)Nc2cccc3c2CCCC3)s1 48231559 VBRXJCDBLCPMEE-UHFFFAOYSA-N 315.442 3.994 0 40 DHAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)o1 57771207 JEXAHIGXZWQUOQ-SFHVURJKSA-N 319.364 3.750 0 40 DHAB COc1ccc(C(=O)COc2ccc(F)cc2Cl)c(OC)c1 58014376 HDFOCFWWJFRHGF-UHFFFAOYSA-N 324.735 3.758 0 40 DHAB Cc1cccc2c1ccn2CC(=O)Nc1nc2c(s1)CCC2 61717843 MMHWYRIEGFLUJC-UHFFFAOYSA-N 311.410 3.534 0 40 DHAB COc1cc(Cl)cc2c1OCC(=O)N(C1CCC(C)CC1)C2 65184546 FGVUBTJCALCCBV-UHFFFAOYSA-N 323.820 3.648 0 40 DHAB CCNc1nnc(S[C@H]2CCCc3ccccc3C2=O)s1 67428883 KCEKXTPGRZTUBQ-LBPRGKRZSA-N 319.455 3.650 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N1[C@@H](C)CCC[C@@H]1C 69462955 QBYOFEGYUAFKIR-RYUDHWBXSA-N 302.374 3.575 0 40 DHAB COc1ccccc1-c1noc(-c2ccc3c(c2)nc(C)n3C)n1 69512064 GNRSISNCMJDUII-UHFFFAOYSA-N 320.352 3.607 0 40 DHAB c1ccc([C@@H](NCc2nnc(-c3ccco3)o2)C2CCC2)cc1 69705870 FNXHKQUPWXEKGW-QGZVFWFLSA-N 309.369 3.961 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N(C)c1ccccc1F 69848391 WYCIHSULJYONJX-UHFFFAOYSA-N 314.316 3.588 0 40 DHAB CCCCc1noc([C@@H](C)Oc2ccc(NC(=O)OC)cc2)n1 70040456 LKPGWOXRAZMQQU-LLVKDONJSA-N 319.361 3.731 0 40 DHAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc2[nH]ccc2c1 72221716 KESDCVFUWGGGBL-UHFFFAOYSA-N 302.374 3.656 0 40 DHAB C[C@@H](Oc1ccccc1C(N)=O)c1ncc(-c2ccccc2)o1 72311180 KFXWGTYQCWWACO-GFCCVEGCSA-N 308.337 3.581 0 40 DHAB Cc1ccccc1OCC(=O)N1CCC(c2ccsc2)CC1 75157117 HXAYESRDVRPGFD-UHFFFAOYSA-N 315.438 3.842 0 40 DHAB O=C(Nc1ccccc1F)[C@H]1CCCCN1Cc1ccccc1 95402657 IIZGMIBVNHPBFI-GOSISDBHSA-N 312.388 3.819 0 40 DHAB COc1ccc(CCCNC(=O)c2ccc3c(c2)CCCC3)cc1 96727046 SGMBDEJCGGITFE-UHFFFAOYSA-N 323.436 3.937 0 40 DHAB CC[C@@H](c1ccc(F)cc1F)[S@@](=O)Cc1nccn1CC 97013126 UCXHXUMXYDAAPF-LHSJRXKWSA-N 312.385 3.581 0 40 DHAB CC(C)CC[C@@H]1CCC[C@H]1N[C@H](C(N)=O)c1ccc(F)cc1 97105407 SNCPXSYICPIVIM-XKQJLSEDSA-N 306.425 3.547 0 40 DHAB Cc1cc(S[C@@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)nc(S)n1 100928227 FQMQIQCRUPFDGN-UAKXVISKSA-N 308.472 3.560 0 40 DHAB CCN(CC)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 110438843 YXGIYZNFXJHREK-UHFFFAOYSA-N 312.204 3.768 0 40 DHAB CCCNC(=S)Nc1ccc(Nc2cccc(C)c2)nc1 223872589 CLAWXNJCSSAFSU-UHFFFAOYSA-N 300.431 3.830 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1 224943306 CLCDOTIJTKYTHH-HNNXBMFYSA-N 309.409 3.649 0 40 DHAB CCOc1c(C)cc(NC(=O)[C@](C)(OCC)C2CC2)cc1C 225725205 NBSJZCZCSJHRDW-GOSISDBHSA-N 305.418 3.846 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c(C)n1 225883205 HYBAJYGXKNBVEO-SFHVURJKSA-N 322.449 3.959 0 40 DHAB CC(=O)N[C@@H]1C[C@H](c2cccc3ncccc23)O[C@@H]2CCCC[C@@H]12 257200731 AERBWHUIHWFLHL-MTFMMBMASA-N 324.424 3.760 0 40 DHAB Cc1csc(-c2cc([C@H]3CCCN(C(C)C)C3)nc(C)n2)n1 257232383 GKRGUGMRNJSHRG-AWEZNQCLSA-N 316.474 3.805 0 40 DHAB Cc1cn(C)c([C@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)n1 257319989 VUWUAFHPXNHSBB-ZDUSSCGKSA-N 307.800 3.511 0 40 DHAB Cc1ncsc1C(=O)N1CCCC[C@H](c2ccccc2)C1 390829458 YZQDKONKLVWQEP-HNNXBMFYSA-N 300.427 3.861 0 40 DHAB CCN(CC)c1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1 408736997 FYZBEKGZIKZGOU-JXAWBTAJSA-N 320.392 3.877 0 40 DHAB C[C@H](N[C@H]1COCC[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 1547139786 SRTUKJZRWWXNMC-ZSYONZMPSA-N 323.436 3.571 0 40 DHAB COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 68220 MYKFPRWPSCFBKB-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB COC(=O)c1oc2ccc(Br)cc2c1-n1cccc1 375937 NFGRNADOIZUJGR-UHFFFAOYSA-N 320.142 3.773 0 40 DHAB CCSc1nnc(-c2cccnc2)n1-c1ccccc1F 2664988 VYTRHJALBXOFBQ-UHFFFAOYSA-N 300.362 3.580 0 40 DHAB Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c(C)o1 3464494 OKVRXVPCDPIIEM-UHFFFAOYSA-N 321.760 3.654 0 40 DHAB Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1C 4723239 JUBJMYBYCRZZAN-UHFFFAOYSA-N 308.425 3.690 0 40 DHAB O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)C1CCCC1 5083907 LCPXFWFOUDGLDR-UHFFFAOYSA-N 313.426 3.785 0 40 DHAB Cc1cc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)no1 5498281 WWCRTWDWUHPNIJ-UHFFFAOYSA-N 321.336 3.635 0 40 DHAB O=C(Cn1cnc2ccccc21)Nc1cccc(Cl)c1Cl 5635595 HVWYOGIMTPWTRA-UHFFFAOYSA-N 320.179 3.982 0 40 DHAB COc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 5680645 VMHQWMBSRZMQPE-UHFFFAOYSA-N 301.411 3.566 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccccc2)cc1 5818272 VBFMSGYZSBTLLJ-GOSISDBHSA-N 303.365 3.776 0 40 DHAB O[C@@H](CO[C@H]1CCCc2ccccc21)CN1CCCCCCC1 6583806 RDVNDTFDPTYHQY-QUCCMNQESA-N 317.473 3.708 0 40 DHAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CCCCC2)c1=S 6985600 BVUTXLBHEGOJEG-UHFFFAOYSA-N 322.865 3.715 0 40 DHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 7056381 OCSXKDKWNHLWIO-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CCCc1nnc(S/C(=C\c2ccccc2Cl)C(=O)O)[nH]1 7342230 ULOVPTUHKRLWHH-FLIBITNWSA-N 323.805 3.628 0 40 DHAB COc1ccc(OC)c([C@@H](C)Nc2ncnc3sccc23)c1 7470544 NPWFBSSDYWJPBL-SNVBAGLBSA-N 315.398 3.882 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2OC)cc1 7790467 RDKOWZPEMKPXKL-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccco1 8718421 YQUZNTYCYPSOGV-UHFFFAOYSA-N 303.321 3.871 0 40 DHAB CCc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 10785448 OWGNIHPRSNADQT-UHFFFAOYSA-N 319.408 3.707 0 40 DHAB CCCc1cc(O)nc(SCc2cccc3cccnc23)n1 11220306 DAHYPBHRDSBXAG-UHFFFAOYSA-N 311.410 3.975 0 40 DHAB Cc1nc(-c2cccs2)c(CC(=O)NCc2ccco2)s1 11905897 CSHMEKSQNWMPLP-UHFFFAOYSA-N 318.423 3.632 0 40 DHAB Cc1nc2c(c(C)nn2-c2ccc(F)cc2)c(C(=O)O)c1Cl 12396241 WUHLZIPBRIHJET-UHFFFAOYSA-N 319.723 3.528 0 40 DHAB O=C(N[C@H](c1ccccc1)C1CC1)c1cnn(-c2ccccc2)c1 12899258 RIZPSGRVZLHSGU-LJQANCHMSA-N 317.392 3.753 0 40 DHAB O=C1O[C@@H](Nc2nc3ccc(F)cc3s2)c2ccccc21 13999643 SLZHZAZTFRWLOI-CYBMUJFWSA-N 300.314 3.717 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 15526240 WGTURIDQGLHMMZ-UHFFFAOYSA-N 312.388 3.997 0 40 DHAB O=C(Nc1ccccc1Br)c1cc(F)cc(F)c1 16027412 XWLYVBSSLOQDHU-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1N 19394415 MZFORDHZBATXAT-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB COc1cc(CNc2ccccc2)cc(Br)c1O 19879229 XDQPLNYPAPRGCR-UHFFFAOYSA-N 308.175 3.775 0 40 DHAB Clc1cc2c(c(CN3CCc4sccc4C3)c1)OCOC2 22549639 UIYXDXHDBYOSPD-UHFFFAOYSA-N 321.829 3.826 0 40 DHAB CC(=O)c1cccc(NC(=O)CSCc2ccccc2F)c1 24064830 ZCORSEBMDFXVOZ-UHFFFAOYSA-N 317.385 3.900 0 40 DHAB COc1ccc(NC(=O)/C=C/c2ccco2)cc1OC(F)F 25062457 OWOANKCLJOCZMS-FNORWQNLSA-N 309.268 3.542 0 40 DHAB Cc1nc(-c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)co1 29955076 XVIBWIWKISLFRT-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB CCc1nc2ccc(C(=O)N(C)Cc3ccco3)cc2nc1CC 30921699 MNQHAGULPACTED-UHFFFAOYSA-N 323.396 3.620 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C 32585559 HOULJABGVVOJIC-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB Cc1ccc(SCC(=O)N(Cc2cccnc2)C2CC2)cc1 48341006 FMSRDIRFRACQAN-UHFFFAOYSA-N 312.438 3.673 0 40 DHAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(OC2CCCC2)cc1 49546167 NZCHMCLOVHSTSY-HNNXBMFYSA-N 311.385 3.865 0 40 DHAB CCOc1ccc([C@H]2C=C(c3ccccc3)NC(=S)N2)cc1 51329816 JFEYCLYTWSZWON-QGZVFWFLSA-N 310.422 3.645 0 40 DHAB CS[C@H](C)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 53547388 LZSGBQMBZVGJMT-GFCCVEGCSA-N 315.442 3.576 0 40 DHAB CCCC(=O)Nc1cc(N2CCC(C)CC2)c(N)cc1Cl 57326735 BISXGRQHYIDFFZ-UHFFFAOYSA-N 309.841 3.897 0 40 DHAB COC(=O)c1ccc(-c2ccc(OC)cc2Br)o1 57353744 XJROIXSTEQNJKG-UHFFFAOYSA-N 311.131 3.504 0 40 DHAB Cc1ccc(C)c(NC(=O)CNC2(c3ccccc3)CCC2)c1 58145387 HZNOSCZXKASXOR-UHFFFAOYSA-N 308.425 3.911 0 40 DHAB CC(C)NC(=O)c1sc(-n2cccc2)nc1-c1ccccc1 61720887 UNZRHKIZCNTODW-UHFFFAOYSA-N 311.410 3.739 0 40 DHAB CC(C)(C)c1nc(CCNc2ccc(Br)cc2)n[nH]1 62719173 ZIWSNDDLXIDYMM-UHFFFAOYSA-N 323.238 3.519 0 40 DHAB CCn1nc(C)c(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1C 65626948 BMKQMCBRXBIHLW-NSHDSACASA-N 311.385 3.757 0 40 DHAB CC(C)OCCOCc1cccc(NC(=O)NCC2CCC2)c1 68557812 RXGSQLOIQFVANZ-UHFFFAOYSA-N 320.433 3.550 0 40 DHAB CCC[C@@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 69670224 IAUJYJZCZLNYLC-CQSZACIVSA-N 308.491 3.513 0 40 DHAB O[C@@H](CN1CC[C@H](c2ccccc2)C1)c1ccccc1Cl 69737986 XXXVGSWKBKQDCE-YJBOKZPZSA-N 301.817 3.863 0 40 DHAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2c(C)noc2C)S1 71287591 XPUZHVKAOBOOPX-LBPRGKRZSA-N 306.391 3.661 0 40 DHAB CS(=O)(=O)c1ccccc1SCc1cccc(F)c1F 71910989 MKVBGPMVAJTQGY-UHFFFAOYSA-N 314.378 3.661 0 40 DHAB CC(C)c1ocnc1C(=O)N1CCCC[C@@H]1c1nccs1 72298572 LVYBQGOHGMCBMI-LLVKDONJSA-N 305.403 3.622 0 40 DHAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CC2(O)CCCC2)o1 74194636 VJCRHAZHDMMQTH-ZBFHGGJFSA-N 319.445 3.837 0 40 DHAB C[C@@H](NC(=O)c1ccncc1F)c1ccc(-c2ccncc2)cc1 74296472 GHAMUGFFXALRHY-CYBMUJFWSA-N 321.355 3.774 0 40 DHAB Cc1sc2ncnc(SCCCn3ccnc3C)c2c1C 84065540 PNUAXIKEVFLYQT-UHFFFAOYSA-N 318.471 3.995 0 40 DHAB O=C(NCC1CC1)Nc1ccc(N2CCc3ccccc32)cc1 84582052 GEABQIHLFGAOGZ-UHFFFAOYSA-N 307.397 3.912 0 40 DHAB CC(C)c1csc(NC(=O)C[C@H]2OCCc3ccsc32)n1 89893533 XDTAHLRERIMBEW-GFCCVEGCSA-N 322.455 3.971 0 40 DHAB O=C(Cc1cccnc1)Oc1ccc2oc3c(c2c1)CCCC3 95394655 LQVXJTJYVATTRW-UHFFFAOYSA-N 307.349 3.855 0 40 DHAB O[C@@H](C[C@H]1CCCCCN1Cc1ccccn1)c1ccco1 95413230 RALQCDQKKYIZEJ-SJORKVTESA-N 300.402 3.543 0 40 DHAB Cc1nc(C(C)C)c(-c2nn3c(C4CC4)nnc3s2)s1 95477075 VTINPAKKJKDMSW-UHFFFAOYSA-N 305.432 3.619 0 40 DHAB Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccncc3)on2)cc1 95955499 ODBYWHAPMANADH-CQSZACIVSA-N 321.380 3.878 0 40 DHAB COc1ccc2oc([C@H](C)N[C@H](C)c3nnc(C)o3)c(C)c2c1 97112133 WNFWQFFAZCZHGY-WDEREUQCSA-N 315.373 3.853 0 40 DHAB Cc1ccccc1C(=O)/N=c1\sc2cc(F)cc(F)c2n1C 100909404 GEECHDXKHWPLJT-MNDPQUGUSA-N 318.348 3.568 0 40 DHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222903262 RQDFZZKVXRITIR-HZPDHXFCSA-N 315.442 3.612 0 40 DHAB Cc1ccc(Cn2c(CC(=O)O)nc3cc(Cl)ccc32)cc1 225295380 YTDLVGJKMUUIPW-UHFFFAOYSA-N 314.772 3.674 0 40 DHAB CCOc1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1 225431045 AHQKXSLPHQZOJM-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB CCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1OC 226352367 YMUXDTAKRWRSRZ-UHFFFAOYSA-N 317.341 3.782 0 40 DHAB CC1(c2nccs2)CCN(C(=O)CCc2ccccc2)CC1 257328504 XFWYXGYKZMRIPI-UHFFFAOYSA-N 314.454 3.656 0 40 DHAB CCC1=N/C(=C\c2c(C)nn(-c3ccc(C)c(C)c3)c2C)C(=O)O1 408998933 JLMRONKOSQFAHH-YVLHZVERSA-N 323.396 3.812 0 40 DHAB O=C(N[C@H](c1cccs1)C1CCOCC1)OCC(F)(F)F 1775967744 BOHXBHNJMNHSKQ-NSHDSACASA-N 323.336 3.504 0 40 DHAB Cc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1 62528 IWFWBYKOSXITDL-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB COc1ccc(Sc2ccccc2CN(C)C)cc1OC 346752 WIWAVSPKHCRIKC-UHFFFAOYSA-N 303.427 3.917 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc2cccnc12 364654 RGLJMCUNALCMBT-AWEZNQCLSA-N 306.365 3.949 0 40 DHAB CC(C)N1C(=O)N(c2ccc(Cl)cc2)[C@@](C)(O)CC1(C)C 494794 PCPQLMSPFDUHGV-INIZCTEOSA-N 310.825 3.868 0 40 DHAB CC(C)(C)c1ccc(CN2C3=NC(=O)CN3c3ccccc32)cc1 536363 QWWZQJNSOFNGEP-UHFFFAOYSA-N 319.408 3.707 0 40 DHAB Clc1ccc(Cn2nnc(-c3cccs3)n2)c(Cl)c1 1428998 VDDSJDFXNVRDHX-UHFFFAOYSA-N 311.197 3.757 0 40 DHAB CCOc1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)cc1 1497951 NVYRRZPUHOPAHO-UHFFFAOYSA-N 323.441 3.936 0 40 DHAB COc1ccc([C@@](O)(c2ccccc2)[C@@H](O)c2ccccc2)cc1 1570023 NGUAZYIANFFYIS-SFTDATJTSA-N 320.388 3.665 0 40 DHAB C[C@@H](CN1CCCC1)[C@@](O)(Cc1ccccc1)c1ccccc1 1726851 HAHXIOSXBVTRRT-RXVVDRJESA-N 309.453 3.849 0 40 DHAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 3217060 KTAKDTQPERJTQL-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)N[C@@H]1CCCc2ccccc21 3435617 HBSVOHVGFJOOHT-HXUWFJFHSA-N 321.420 3.748 0 40 DHAB O=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)CCC2 3605871 DFPSOMQQNKAJKY-UHFFFAOYSA-N 319.763 3.985 0 40 DHAB CCn1c2ccccc2c2cc(NC(=O)c3cnccn3)ccc21 4128194 GOVKCCJCNZNHNO-UHFFFAOYSA-N 316.364 3.857 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)s2)c1 5609677 RTUPTUXNTKGMLS-UHFFFAOYSA-N 309.774 3.749 0 40 DHAB Cc1ccc(-c2c(C)[n+]([O-])c(-c3c[nH]c4ccccc34)n2O)cc1 5617864 OQKOYPYBSMITBA-UHFFFAOYSA-N 319.364 3.791 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1ccccc1N1CCCCC1 6563278 XPIJGRNGWOUBFM-UHFFFAOYSA-N 319.474 3.536 0 40 DHAB O=C(CCc1ccccc1)OC/C=C/COC(=O)c1ccccc1 6574973 UTAQTHGOLHFTKG-BQYQJAHWSA-N 324.376 3.576 0 40 DHAB COc1cccc(C2=NN=C(Nc3ccc(C)cc3)SC2)c1 6654304 FWGHXTJWDZWHOZ-UHFFFAOYSA-N 311.410 3.923 0 40 DHAB C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 7703199 BPTGDYIHCHWTNX-ZDUSSCGKSA-N 307.459 3.811 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2ccccc2n1 8718969 XPKDFBLNWSMRHG-CYBMUJFWSA-N 306.365 3.734 0 40 DHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(F)cc1F 8719010 BYGVUJFUWKGBOL-NSHDSACASA-N 320.339 3.813 0 40 DHAB O=C(Cc1cccc(F)c1)NCC12CC3CC(CC(C3)C1)C2 9497932 JWVKFPRIQQFCAJ-UHFFFAOYSA-N 301.405 3.701 0 40 DHAB COc1ccc(CSc2nc(N)c3ccsc3n2)cc1F 9833702 ISZORCNGWDYFRH-UHFFFAOYSA-N 321.402 3.714 0 40 DHAB CC1CCN([C@H](C)CNC(=O)Nc2cccc(Cl)c2)CC1 12223540 IHOSEXFZLLQUKJ-CYBMUJFWSA-N 309.841 3.582 0 40 DHAB Cc1nc(S[C@@H](C)C(=O)NC(C)C)n(C2CCCC2)c1C 12630029 MAZCANRWVOWSJK-ZDUSSCGKSA-N 309.479 3.620 0 40 DHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ncccc1O 12644988 OFSHYICGYYHBSI-UHFFFAOYSA-N 304.349 3.635 0 40 DHAB Cc1ccc(CN(C)Cc2nc(O)c3sccc3n2)c(C)c1 12684412 QAFRPENRKPLEGF-UHFFFAOYSA-N 313.426 3.646 0 40 DHAB C[C@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)c1ccccc1 12868713 ONSWYFXLDRWKGH-VIFPVBQESA-N 324.163 3.817 0 40 DHAB COc1ccc(/C=C(\Cl)c2nc3ccccc3[nH]c2=O)cc1 12892914 OYYDQVOGGYPRPT-RAXLEYEMSA-N 312.756 3.669 0 40 DHAB COCCNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 12978903 YYVHFLNTHREIFG-UHFFFAOYSA-N 314.168 3.630 0 40 DHAB CCC(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 13944203 LWPSOUPAXWQVGE-UHFFFAOYSA-N 316.788 3.619 0 40 DHAB Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(C)c(C)c1C 16780073 OLBITISXENOUQD-BDJLRTHQSA-N 309.475 3.777 0 40 DHAB Cn1ccc([C@H]2CCCCCN2Cc2ccc(F)c(F)c2)n1 19291066 AUJMVCBYNSJNGP-QGZVFWFLSA-N 305.372 3.816 0 40 DHAB Cn1c(=N)n(CCCOc2ccccc2Cl)c2ccccc21 19901281 LROBBINJPVBSEJ-UHFFFAOYSA-N 315.804 3.582 0 40 DHAB Cc1nc(-c2cc(C)n(CC(=O)N[C@H](C)C(C)C)c2C)cs1 22758470 XFZZPRODCVAHHW-GFCCVEGCSA-N 319.474 3.698 0 40 DHAB O=C(NCCc1ccccc1)c1csc(Nc2ccccc2)n1 23136778 GYXCKSBYQRDDDI-UHFFFAOYSA-N 323.421 3.859 0 40 DHAB COc1cccc(CC(=O)N(C)[C@H]2CCCc3ccccc32)c1 23152202 IRUCQTRMFLGUFX-IBGZPJMESA-N 309.409 3.774 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)CCc1ccco1 32779681 ZYTSQETYIWBJEI-GJZGRUSLSA-N 300.402 3.970 0 40 DHAB Cc1cccc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)c1C 36392872 OSSOOKFGRJVCBS-UHFFFAOYSA-N 303.450 3.734 0 40 DHAB CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN(C2)[C@@H]13 38321990 UCIDWKVIQZIKEK-CFDPKNGZSA-N 310.441 3.937 0 40 DHAB biogenic Cc1c(C(=O)N[C@@H](C)c2cccc(F)c2)oc2c1C(=O)CCC2 40130083 UVRPOILXXJTJPI-NSHDSACASA-N 315.344 3.737 0 40 DHAB Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)on1 41893742 KIURYTYOCAKGRX-QMTHXVAHSA-N 300.358 3.504 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@H](Cc1ccccc1)c1ccccc1 46764002 IZMCDNKOLDZEAX-RBUKOAKNSA-N 309.409 3.656 0 40 DHAB C[C@@H](NC(=O)N(C)Cc1csc2ccccc12)[C@@H]1CCCO1 46972505 XIRMQQDNZPPQPG-DOMZBBRYSA-N 318.442 3.610 0 40 DHAB O=C(C[C@@H]1C=CCC1)NCc1cccnc1OCc1ccccc1 48326293 OJXZHHLRFKRWIA-MRXNPFEDSA-N 322.408 3.633 0 40 DHAB Cc1ncsc1C(=O)N1CCCCC[C@H]1c1cccn1C 60500517 FDXNTNRQATZLDE-AWEZNQCLSA-N 303.431 3.548 0 40 DHAB CCOc1cc(C(=O)OC)ccc1OCc1ccccc1F 62170256 JWQKHOCCEIERFA-UHFFFAOYSA-N 304.317 3.590 0 40 DHAB Cc1oc(-c2ccco2)nc1Cn1nccc1-c1ccncc1 68777400 NNIJBJPNIBJUFJ-UHFFFAOYSA-N 306.325 3.550 0 40 DHAB CC(C)c1ccc(CN(C)S(=O)(=O)c2cccs2)cc1 69079536 DRJPICZKQGSJQP-UHFFFAOYSA-N 309.456 3.692 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)c2cccc3c2ccn3C)c1 69493624 VGZNIUGOLMVMPR-UHFFFAOYSA-N 321.380 3.779 0 40 DHAB CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 69871310 WDPRXEOEQCESBJ-CVEARBPZSA-N 301.434 3.526 0 40 DHAB COC[C@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1 70667710 ZWOVLVZZYPDICD-AWEZNQCLSA-N 315.438 3.744 0 40 DHAB Cc1[nH]c(=S)ccc1C(=O)CCCCNC(=O)OC(C)(C)C 72218420 NDBYEWLHZQMZCE-UHFFFAOYSA-N 324.446 3.930 0 40 DHAB CNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c(C)n1 72219136 VBNBIFZHOUVEMM-KRWDZBQOSA-N 309.413 3.799 0 40 DHAB C[C@H](c1ccncc1)N(C)C(=O)N[C@H](Cc1ccccc1)C1CC1 76988330 MUOOOORKZRJDPL-DNVCBOLYSA-N 323.440 3.805 0 40 DHAB Cc1ccccc1-c1noc(SCc2c(C)noc2C)n1 79071420 XIIZARJFWXDMAI-UHFFFAOYSA-N 301.371 3.942 0 40 DHAB O=C(CCc1ccc2c(c1)CCO2)Nc1cccc2ncccc12 79494661 VEQRNVGVHCNXNZ-UHFFFAOYSA-N 318.376 3.741 0 40 DHAB Cc1csc(CCCNCc2cc(F)cc3cccnc23)n1 89705519 SVKKNEHYTDCZBB-UHFFFAOYSA-N 315.417 3.861 0 40 DHAB CC(=O)Nc1ccccc1-c1cc(C(F)(F)F)cnc1N(C)C 91695505 KYWOCSKAPHSCKP-UHFFFAOYSA-N 323.318 3.792 0 40 DHAB CC(C)Cn1ncc(C(=O)Nc2cccc3cn[nH]c23)c1C1CC1 92168273 QEYXMGYQLDDQMM-UHFFFAOYSA-N 323.400 3.545 0 40 DHAB CC(C)C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccccn1 95420064 BQTNLPVZWJHXBP-IBGZPJMESA-N 324.472 3.954 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccnc2ccccc12)c1cccnc1 96410013 RNVGJOFGSOIFKQ-MYSGNRETSA-N 303.365 3.520 0 40 DHAB CCO[C@H](C)c1nc(-c2ccc(CNC(C)=O)s2)cs1 96433578 QKBWMOAMZQAANW-SECBINFHSA-N 310.444 3.605 0 40 DHAB CC(=O)Nc1cccc(NCc2ncc(C(C)(C)C)o2)c1C 96450114 UOMNJSPITUILFO-UHFFFAOYSA-N 301.390 3.851 0 40 DHAB Cc1occc1-c1nnc(NCc2coc(-c3ccccc3)n2)o1 97114423 ZPJLLEDVIJJBFD-UHFFFAOYSA-N 322.324 3.905 0 40 DHAB CCN(CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C1CCCC1 97491330 STPFUIXKHMGDDT-ZDUSSCGKSA-N 324.415 3.749 0 40 DHAB CCn1nccc1CNC(=O)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 102149294 RWQYPJQWVQFXQZ-MJGSYPLASA-N 315.461 3.516 0 40 DHAB Cc1ccn2cc(C(=O)N3CCC[C@@H]3c3ccccc3)nc2c1 198751726 PLOWKZWTARRWFW-QGZVFWFLSA-N 305.381 3.620 0 40 DHAB CC[C@H](NC(=O)Cc1cccs1)c1ccc(OC)c(C)c1 223131850 VQYOAYSSSXEMIO-HNNXBMFYSA-N 303.427 3.875 0 40 DHAB CC(C)Oc1ccc(CNC(=O)Cc2ccccc2Cl)cc1 225437345 YBRKIOGJEGILNO-UHFFFAOYSA-N 317.816 3.986 0 40 DHAB C[C@@H]1CC[C@@H]1COc1cccc(I)c1 242648747 RFVHRHWKAUGMAG-NXEZZACHSA-N 302.155 3.716 0 40 DHAB COc1ccc(NC(=O)c2cc(Cl)cc3c2O[C@@H](C)C3)cc1 252502995 UWTWTPGHWRWICU-JTQLQIEISA-N 317.772 3.924 0 40 DHAB Cc1ncsc1C(=O)NCc1ccnc(-c2cccs2)c1 252509853 YWZLLUVDIYSKPJ-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)Cc1ccc(F)cc1 253472072 IOOPPHPUICAJOH-ZDUSSCGKSA-N 311.356 3.862 0 40 DHAB CC1(c2ncc(Cl)s2)CCN(Cc2nccs2)CC1 257256826 KNBCMECARZYQSF-UHFFFAOYSA-N 313.879 3.807 0 40 DHAB O=C(NCCc1ccccc1)NCc1ccc(-c2ccoc2)o1 575609756 GHHHLLZHZAHVOK-UHFFFAOYSA-N 310.353 3.582 0 40 DHAB Cc1ccc(C)n1-n1cnc2sc(-c3ccccc3)cc2c1=O 90232 QBJMILOEJHLDCC-UHFFFAOYSA-N 321.405 3.855 0 40 DHAB CC[n+]1c(/C=C/N(C(C)=O)c2ccccc2)oc2ccccc21 294903 NQTXPVKTJIZKTC-UHFFFAOYSA-N 307.373 3.764 0 40 DHAB Clc1ccc([C@@H]2C[C@@H](c3ccco3)n3ncnc3N2)cc1 350189 AWEXLJNOLIENAV-STQMWFEESA-N 300.749 3.671 0 40 DHAB Cc1cc2ccccc2n1CCNC(=O)c1ccc(F)c(F)c1 427917 JUNLFOFCRPINIR-UHFFFAOYSA-N 314.335 3.658 0 40 DHAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O)cc1 453254 VKOYKKRRVGLIMR-VAWYXSNFSA-N 304.349 3.946 0 40 DHAB c1ccc(CSC2=NCCN2CCOc2ccccc2)cc1 535105 GJKGWWKBBXASCV-UHFFFAOYSA-N 312.438 3.670 0 40 DHAB Cc1cccc(OC[C@H](O)Cn2c(C(C)C)nc3ccccc32)c1 787268 PLWIRRGNHDOSSH-MRXNPFEDSA-N 324.424 3.908 0 40 DHAB O=C(CCN1CCCC1)Nc1ccc(Oc2ccccc2)cc1 1443353 ZSSQXEPOHGKHFG-UHFFFAOYSA-N 310.397 3.903 0 40 DHAB c1ccc(CN2CC[C@@H](CNc3ncnc4ccccc34)C2)cc1 2048049 UDUVTWVITKQZKA-KRWDZBQOSA-N 318.424 3.564 0 40 DHAB in-vitro O=C1C=CC(=O)N1c1ccccc1Sc1ccc(Cl)cc1 3273936 ZPVQRBCEYPFUQE-UHFFFAOYSA-N 315.781 3.921 0 40 DHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC2CCCC2)c1 3316560 XYXFEGRJXUVKNM-UHFFFAOYSA-N 303.402 3.756 0 40 DHAB CC(C)(C)c1csc(NC(=O)c2ccc3nccnc3c2)n1 3359763 OIUCYBOEOOSATB-UHFFFAOYSA-N 312.398 3.636 0 40 DHAB O=C(O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 3749247 MGKKCIYYJMVVMC-MRXNPFEDSA-N 311.381 3.776 0 40 DHAB O=C(Nc1nccs1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 4831886 YGMASENZXLIZPO-UWVGGRQHSA-N 313.209 3.669 0 40 DHAB O=C(NCc1c(F)cccc1F)Nc1c[nH]c2ccccc12 5299908 LDRYCGLZXOOVLB-UHFFFAOYSA-N 301.296 3.768 0 40 DHAB C[C@H](CCc1ccco1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1 5346137 XEZRCBCPAGXHMF-GFCCVEGCSA-N 314.360 3.993 0 40 DHAB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 5730485 IPBGAVIKMXQJCH-UHFFFAOYSA-N 309.394 3.755 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(F)cc1 6789743 MYQYNLINDTVMJE-UHFFFAOYSA-N 300.358 3.708 0 40 DHAB COc1ccc([C@H](NC(=O)Cc2ccccc2F)C(C)C)cc1 7923061 XDBYIBJVWUCZOK-LJQANCHMSA-N 315.388 3.890 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccccc1 9050234 NJGJDAVXLLVZCE-UHFFFAOYSA-N 321.380 3.507 0 40 DHAB Cc1ccc(NC(=O)C2CCCCC2)cc1N1CCCC1=O 10220927 KZVXIUWZHGJWFT-UHFFFAOYSA-N 300.402 3.641 0 40 DHAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccno1 10253817 VSRINQFQDCRYBG-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccco1 10421398 XYUAQXLJXZUTNJ-UHFFFAOYSA-N 322.368 3.517 0 40 DHAB COc1ccc(OC)c(N[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1 12517175 PRTXSTZMHLZDKA-LBPRGKRZSA-N 324.380 3.868 0 40 DHAB Cc1cc(CNC(=O)NCc2ccc(Cl)cc2)ccc1F 12568569 INWRREMMDLNVRO-UHFFFAOYSA-N 306.768 3.787 0 40 DHAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 13000929 JXVCLIDYGZOXPZ-AWEZNQCLSA-N 309.365 3.997 0 40 DHAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cccs1 14002658 PJHLOZQPFNYNMU-UHFFFAOYSA-N 310.831 3.837 0 40 DHAB CCc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 15011301 NUQWJTHYNBYSLL-VBKFSLOCSA-N 314.454 3.639 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccccc2SC)cc1 15306095 FXTGMUKSXOJNDB-UHFFFAOYSA-N 301.411 3.988 0 40 DHAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc2ccccc2n1 16173436 CTGMQUCWJNAVIZ-UHFFFAOYSA-N 324.355 3.525 0 40 DHAB Cc1ccc(-c2csc(=S)n2CC(=O)NC2CC2)cc1 17123233 COPPDAQUHGZEMI-UHFFFAOYSA-N 304.440 3.533 0 40 DHAB Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 19735984 LNTQWBXCQVHZRL-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 20495804 NFGWUPPKWUAVHD-DYVFJYSZSA-N 301.361 3.861 0 40 DHAB CC(C)Oc1cccc([C@@H]2SCC(O)=Nc3n[nH]cc32)c1 20729797 UPGJTBFMHAGKTK-AWEZNQCLSA-N 303.387 3.621 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(OC)cc2)cc1 21320074 FJPGFTYMCSSDHB-CQSZACIVSA-N 313.397 3.514 0 40 DHAB O=C(c1ccc2c(c1)OCCCO2)N1CC[C@@H]2CCCC[C@@H]2C1 21905367 BMVZUOJQJXRIFF-GOEBONIOSA-N 315.413 3.500 0 40 DHAB CCOc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1 22480058 IAISJMXDHAGXND-UHFFFAOYSA-N 313.397 3.511 0 40 DHAB CN(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1 23055362 GWNDFYRHPJLLMM-UHFFFAOYSA-N 306.365 3.937 0 40 DHAB CC(C)c1cc(NC(=O)CN2c3ccccc3CC[C@H]2C)on1 23199988 MQKZWIVEWRVJAR-CYBMUJFWSA-N 313.401 3.578 0 40 DHAB S=c1sc(NC2CCCCC2)nn1CN1CCCCC1 28705081 VVBSPBBPDIKOEE-UHFFFAOYSA-N 312.508 3.862 0 40 DHAB O=C(Cc1cccc2ccccc12)N1CCCc2ncccc21 32899764 VBWMVEDSWHEERU-UHFFFAOYSA-N 302.377 3.757 0 40 DHAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1c1ccncc1 32907477 LZADFOPMAIDKEJ-INIZCTEOSA-N 318.779 3.780 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 39897740 GNLYVPZLCABJRH-UHFFFAOYSA-N 309.365 3.604 0 40 DHAB CCCCC[C@H](C)NC(=O)c1sc(-c2ncccn2)nc1C 40146502 DLWXEWBQSHFGDM-NSHDSACASA-N 318.446 3.607 0 40 DHAB CC(=O)Oc1ccccc1C(=O)c1cccc(Br)c1 43209760 SUEBNPWXWZISEX-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1nccs1 43644186 ZWCJVYVZPFXUSY-UHFFFAOYSA-N 315.320 3.826 0 40 DHAB NC(=O)/C=C\c1ccccc1OCc1c(F)cccc1Cl 44260295 RXTNEIWEHLFXCO-HJWRWDBZSA-N 305.736 3.557 0 40 DHAB COCCn1cc(C(=O)Nc2cccc(F)c2)c2ccccc21 57419065 YUIZEACQMIJILZ-UHFFFAOYSA-N 312.344 3.679 0 40 DHAB Cc1ccc(NC(=O)NCCNc2ccc3ccccc3n2)cc1 58033831 BACFYFFBWNDZSV-UHFFFAOYSA-N 320.396 3.777 0 40 DHAB Cc1cccc(C[S@@](=O)CCCOc2ccc(F)cc2)c1 58158361 WKRHDTBDRIEQCU-OAQYLSRUSA-N 306.402 3.852 0 40 DHAB C[C@@H](c1ccncc1)N(C)C(=O)c1csc(-c2ccco2)n1 58299992 BMSVMIBTLCGEEZ-NSHDSACASA-N 313.382 3.631 0 40 DHAB CCN(CC(=O)Nc1c(C)nn(C(C)C)c1C)c1ccccc1 58324014 UZPGBKOVZUYVTQ-UHFFFAOYSA-N 314.433 3.546 0 40 DHAB CC(C)n1nnnc1SCCOc1cccc2ccccc12 64927416 OIYYHAMBBMCWHY-UHFFFAOYSA-N 314.414 3.578 0 40 DHAB CCn1c(C)cc(C(=O)N2CCC[C@H](c3nccs3)C2)c1C 67047594 QSRYKQZQLVUCCC-AWEZNQCLSA-N 317.458 3.601 0 40 DHAB CSCCc1ccc(NC(=O)N[C@H](C)c2ccncc2)cc1 69685595 AGSVINLSVVOXDO-CYBMUJFWSA-N 315.442 3.870 0 40 DHAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1C1CCCCC1 71823310 RSBBAXXCBTUQQU-SFHVURJKSA-N 324.424 3.713 0 40 DHAB CCn1ncc2c1CCC[C@@H]2NCc1csc(C(C)C)n1 72298463 CLMWUQDHCYYBLP-AWEZNQCLSA-N 304.463 3.650 0 40 DHAB CC(C)CN1CCC(c2csc(Nc3ncccn3)n2)CC1 72363459 BQHQNISGBYGOPR-UHFFFAOYSA-N 317.462 3.512 0 40 DHAB C[C@@H]1CCN(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)C1 75582032 XYHLIQAFSPWQTE-NNNHXZLVSA-N 316.401 3.831 0 40 DHAB O=C(NCC1(c2c(F)cccc2F)CCCC1)c1cscn1 78483141 PFQGFHYPHCFUPX-UHFFFAOYSA-N 322.380 3.663 0 40 DHAB CC1CC(COc2ccccc2I)C1 85390801 RYQSWNHYARXAMH-UHFFFAOYSA-N 302.155 3.716 0 40 DHAB CCn1cc(CN[C@@H](c2ccccc2)c2cccc(F)c2)cn1 89306021 DIAUPULITWRVOP-IBGZPJMESA-N 309.388 3.921 0 40 DHAB c1ccc2c(c1)SCCC[C@@H]2NC1CCN(C2CC2)CC1 89857774 TYGHMEATAXXEOX-KRWDZBQOSA-N 302.487 3.830 0 40 DHAB CCc1nn(C)cc1CN[C@@H]1CC(C)(C)Cc2oc(C)cc21 92372007 DXXOHGXOWTZMLG-MRXNPFEDSA-N 301.434 3.687 0 40 DHAB C[C@H](NCCCn1ccnc1)c1nc(-c2ccccc2)cs1 95419104 UVEPHHNWSUNNCS-AWEZNQCLSA-N 312.442 3.748 0 40 DHAB C[C@H](NC[C@H]1CCC[C@H](O)C1)c1ccc(Br)s1 95968411 NBNASDKABFTIJP-DCAQKATOSA-N 318.280 3.712 0 40 DHAB CC[C@](CNC(=O)c1c(F)cccc1F)(OC)c1ccccc1 96123695 RKKYALPNKLVVIK-GOSISDBHSA-N 319.351 3.647 0 40 DHAB CC(C)n1ccc(-c2cc(C(=O)NCC3CC3)c3ccccn23)n1 96154710 ZEOCUVNEQDZARM-UHFFFAOYSA-N 322.412 3.524 0 40 DHAB Cc1nnc([C@H]2CCCN2C(=O)c2cc(C)c(C)cc2Cl)o1 97237095 LBWBHZZBTOCVHP-CQSZACIVSA-N 319.792 3.626 0 40 DHAB C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccncc1 97370662 YJZFAKQIUVOWFZ-LLVKDONJSA-N 315.323 3.866 0 40 DHAB Cc1ccc(C)c([C@@H](C)NC(=O)N2CCC3(CCOCC3)C2)c1 98014379 ZZMVGPNRCAZYJO-MRXNPFEDSA-N 316.445 3.577 0 40 DHAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(Cl)c1 100357964 USODXQCOJVBWAY-IRXDYDNUSA-N 315.800 3.640 0 40 DHAB S=C(N[C@@H]1CCCc2ccccc21)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100999059 FPTCJJAESGOLQE-ODVANORSSA-N 300.471 3.717 0 40 DHAB CCc1ccc(CC(=O)NCCOc2ccc(C)c(C)c2)cc1 225178514 PENXKGAUONPTAD-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB Cc1cccc(CSCCNC(=S)Nc2cccnc2)c1 225339518 GYESFAQTDANYPM-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB CCCO[C@](C)(C(=O)Nc1cc(C)c(OC)c(C)c1)C1CC1 225673929 ZTBJCCRBVAYZHX-SFHVURJKSA-N 305.418 3.846 0 40 DHAB O=C(NC1CCCCC1)c1cc2cccc(Cl)c2oc1=O 226038859 YRUPTOCBBCDZSE-UHFFFAOYSA-N 305.761 3.509 0 40 DHAB Cc1c(N)cccc1-c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 226301840 VQWBTYJTAKOHCJ-STQMWFEESA-N 312.413 3.955 0 40 DHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251242146 TWZNQAAHFWEOAF-GVAFMPQTSA-N 307.821 3.802 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=S)Oc1ccc2nccnc2c1 408735761 WSDMFEXFBXWEGD-GFCCVEGCSA-N 321.405 3.745 0 40 DHAB Brc1nnc(-c2ccccc2)c(-c2ccccc2)n1 1776011407 MGKLLSLKEZCXKO-UHFFFAOYSA-N 312.170 3.968 0 40 DHAB Cc1cc(Cl)cc2sc(N3CC(Cn4ccnc4)C3)nc12 1889179248 WIXALVLRPXSVRN-UHFFFAOYSA-N 318.833 3.591 0 40 DHAB O=C1O[C@H](Nc2ccccc2Br)c2ccccc21 91691 DPXRSEJWDQURIF-ZDUSSCGKSA-N 304.143 3.730 0 40 DHAB COc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 133714 LZWGLLRPFVJIRO-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB Cc1cc(NCc2ccccc2)cc(=O)n1Cc1ccccc1 339694 YZKBIPNXNSXQKV-UHFFFAOYSA-N 304.393 3.817 0 40 DHAB Cc1cccc(C)c1NC(=O)Cn1cc(C=O)c2ccccc21 578808 VEGCSPAUOSUYPY-UHFFFAOYSA-N 306.365 3.709 0 40 DHAB CC(=O)c1sc(NC(=O)/C=C/c2ccccc2Cl)nc1C 998924 OKGVVBGJCTZTIU-BQYQJAHWSA-N 320.801 3.959 0 40 DHAB CC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)c(Cl)cc1-2 1638375 SATQFYPEVFKHAD-UHFFFAOYSA-N 314.772 3.828 0 40 DHAB CCOC(=O)CSc1ccc2ccccc2[n+]1-c1ccccc1 1703114 KRBRETQFHGXQDM-UHFFFAOYSA-N 324.425 3.772 0 40 DHAB CC(C)CCCCCCOc1ccc([C@H]2NC(=O)NC2=O)cc1 2295627 FXOMRFUMFFCVGS-MRXNPFEDSA-N 318.417 3.552 0 40 DHAB Cn1cnnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 2618458 XNYLPEHDARLIIN-MRXNPFEDSA-N 309.394 3.531 0 40 DHAB CCc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCC3)cc1 2966304 WUVKJHSMAYGDQB-NRFANRHFSA-N 321.444 3.509 0 40 DHAB C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2)[C@@H]1C 4614793 LPMPPYTYFNJDFX-JMSVASOKSA-N 324.262 3.933 0 40 DHAB aggregator CO[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]32)C1 5029504 JSKPSAAKLUVICH-STBDEUKGSA-N 317.473 3.833 0 40 DHAB CN1CCC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C 5029545 BSKUDKXKAISNDJ-LFAQGZIKSA-N 301.474 3.914 0 40 DHAB O[C@@H]1C[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 5065215 AIQYEQPOBADLFA-VSKRKVRLSA-N 314.384 3.969 0 40 DHAB C[C@H](Sc1nc2ccccc2o1)c1nc2ccccc2c(=O)[nH]1 5629031 KCSSNBOYAJPHQI-JTQLQIEISA-N 323.377 3.918 0 40 DHAB Cc1cc(S[C@@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)nc(S)n1 6281445 FQMQIQCRUPFDGN-BCQZVRRWSA-N 308.472 3.560 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 6314257 OMKRWOZIQSXSIG-CQSZACIVSA-N 321.417 3.790 0 40 DHAB Cc1cnc(NC(=O)COc2ccc(C(C)C)c(C)c2)s1 7800678 VGBLKMZNXYFKFX-UHFFFAOYSA-N 304.415 3.901 0 40 DHAB Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 8613175 MALGFTRNKLZGHH-LJQANCHMSA-N 314.473 3.866 0 40 DHAB CC(C)CCOCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 8772997 UYQAOACITRHOIH-NSHDSACASA-N 320.458 3.672 0 40 DHAB aggregator Cc1csc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)n1 9337744 OZKMQSXLAHLNFC-UHFFFAOYSA-N 316.386 3.672 0 40 DHAB CCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1 9569117 XWHNGSCBPNFDDF-UHFFFAOYSA-N 316.796 3.582 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)cc1 10026565 NDPDRKBEQKHLET-CYBMUJFWSA-N 307.349 3.905 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1cccc(OC[C@@H]2CCCO2)c1 10296493 UDOBILUJBOEQDA-CVTTXWKISA-N 323.392 3.896 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 11202584 BAGWEDAXJVZPDB-SFHVURJKSA-N 308.381 3.526 0 40 DHAB COc1ccccc1-c1nc2cnccn2c1NCc1ccco1 12113784 TWTWRGKFYGEQAF-UHFFFAOYSA-N 320.352 3.610 0 40 DHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc2[nH]cnc2c1 12398200 NTQAUVSUFBBKFO-UHFFFAOYSA-N 323.440 3.851 0 40 DHAB Cc1cc(N(Cc2ccc(C(C)C)cc2)C2CC2)n2ncnc2n1 12953143 NEPVHRFSAQQGIP-UHFFFAOYSA-N 321.428 3.725 0 40 DHAB CC(C)Cc1nnc2sc(-c3ccc4ccccc4n3)nn12 13725736 FCFWVGVDVRPAFK-UHFFFAOYSA-N 309.398 3.600 0 40 DHAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(Cl)c1 14184423 QWPYNWXAUNGHOJ-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 15028432 USMZHYIGIRFLCC-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB CC(=O)c1nnc2c(-c3cccc4ccccc34)c(C)nn2c1C 17053774 UCURNAFLDXTGSF-UHFFFAOYSA-N 316.364 3.764 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1c(F)cccc1F 20459183 BGEYOINTAYYYRQ-HNNXBMFYSA-N 321.323 3.770 0 40 DHAB CC(C)CC[C@H](CCN1CCOCC1)c1ccc2c(c1)OCO2 20519458 SHROANCCKWVCHN-MRXNPFEDSA-N 319.445 3.657 0 40 DHAB CCC(=O)c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 23743125 VNQXKFDVCYNZLA-UHFFFAOYSA-N 324.785 3.700 0 40 DHAB CSc1ccc(CSCC(=O)NCc2ccco2)cc1 24072847 NVTURLDGEXRFDY-UHFFFAOYSA-N 307.440 3.551 0 40 DHAB C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1cccn1 24750668 SGYCLVDOFTUYRY-AWEZNQCLSA-N 307.353 3.875 0 40 DHAB C[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccccn1 25406110 VEXMZZBCLDJDLU-JTQLQIEISA-N 308.353 3.887 0 40 DHAB C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 27901446 SJQYTODHNILQKC-HZMBPMFUSA-N 316.228 3.610 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Nc2cc(F)cc(F)c2)c(C)c1 28790943 LDLDSUBGPFITJT-UHFFFAOYSA-N 311.353 3.691 0 40 DHAB O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1ccc[nH]1 37501613 YBAOZGBOJWHUTH-CQSZACIVSA-N 319.202 3.755 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)cc1OC 40487956 NERYXMVZVCBGIF-GDBMZVCRSA-N 315.413 3.724 0 40 DHAB O=C(O)C1(Nc2cccc(OC(F)(F)F)c2)CCCCC1 41758472 QYTRYVMMDJCQFW-UHFFFAOYSA-N 303.280 3.785 0 40 DHAB C[C@H]1CCCN(CCCCNC(=O)c2cc3ccccc3o2)C1 46991012 HYJNRLKNNHFHOL-HNNXBMFYSA-N 314.429 3.675 0 40 DHAB Cc1nc(CCNC(=O)N2CC[C@H](C)c3ccccc32)cs1 48273659 KLAXLXHQIZIZIH-LBPRGKRZSA-N 315.442 3.717 0 40 DHAB CCN(CC)CCC[C@H](C)NC(=O)[C@H](C)Sc1ccccc1 48333591 XEXRANFHEIQQDO-HOTGVXAUSA-N 322.518 3.794 0 40 DHAB CCOc1ccc([C@@H]2C=C(c3ccccc3)NC(=S)N2)cc1 51329814 JFEYCLYTWSZWON-KRWDZBQOSA-N 310.422 3.645 0 40 DHAB CSc1ccccc1C(=O)N[C@@H](C)COc1ccccc1C 55693480 NHSGUGZZOXFIKX-AWEZNQCLSA-N 315.438 3.914 0 40 DHAB 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CCCn1c(SCC(=O)c2ccc(F)cc2)nnc1C(C)C 410487 WQRZEEYSCZGGRD-UHFFFAOYSA-N 321.421 3.926 0 40 DHAB Cc1cccc(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCCCC2=O)c1 1731610 LDNHSKULSWUSNY-NQIIRXRSSA-N 322.404 3.825 0 40 DHAB CCOC(=O)CCCCC(=O)c1cc(F)c(F)c(F)c1F 2580528 BXSVISQWJUQXOK-UHFFFAOYSA-N 306.255 3.549 0 40 DHAB CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)C(C)(C)C 4255667 AXKMZANHFOJKST-KRWDZBQOSA-N 318.461 3.766 0 40 DHAB CCOc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCO1 5019778 XVGXLEKSUXPQER-LBPRGKRZSA-N 304.217 3.661 0 40 DHAB CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5374006 APLNNEHORUAIBJ-UHFFFAOYSA-N 314.410 3.690 0 40 DHAB Sc1nc(-c2ccccc2)n(-c2nc3ccccc3s2)n1 6230954 KETQPASNKLPSJJ-UHFFFAOYSA-N 310.407 3.833 0 40 DHAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2ccco2)CC3=O)cc1 6760795 UZELTOJWAYWVOZ-CQSZACIVSA-N 306.365 3.995 0 40 DHAB Cc1ccc(CSCc2cc(=O)n3c(C)csc3n2)cc1 6949150 STRIWLAFBLLRPR-UHFFFAOYSA-N 316.451 3.806 0 40 DHAB CCOc1ccc(/N=C/c2ccc(OCC)c(C(=O)O)c2)cc1 6962483 ADPSRTXVFBGAOU-XDHOZWIPSA-N 313.353 3.933 0 40 DHAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1F 7350571 IFWYNBBMQSELKB-UHFFFAOYSA-N 304.346 3.672 0 40 DHAB CCC(=O)c1ccc(OCc2nc(-c3cccs3)no2)cc1 7420107 XMALBXBYMZACFK-UHFFFAOYSA-N 314.366 3.970 0 40 DHAB Fc1ccccc1OCCSc1nc(-c2ccccc2)n[nH]1 7471865 NNBRAMBHPHTWAA-UHFFFAOYSA-N 315.373 3.782 0 40 DHAB Cc1c(C(=O)Oc2ccc3c(c2)OCO3)oc2ccc(F)cc12 8210238 JWJBOWHXCDNQOB-UHFFFAOYSA-N 314.268 3.828 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)no1 8747000 WSNQQCQNYUCGMC-LLVKDONJSA-N 313.382 3.651 0 40 DHAB CCC(C)(C)OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 9764274 IXYUNDAZYDSULU-LJQANCHMSA-N 319.489 3.507 0 40 DHAB CCn1c(NC(=O)c2cc(F)ccc2F)nc2ccccc21 10651797 AIXHIYKMPBUMJO-UHFFFAOYSA-N 301.296 3.587 0 40 DHAB COc1ccccc1CC(=O)OCc1nc2ccccc2s1 12910478 URQBEYWCEVKBTO-UHFFFAOYSA-N 313.378 3.591 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 13016970 ZOSHTBGCFMCDRD-ZMSDIMECSA-N 301.430 3.899 0 40 DHAB CCOc1cc2c(cc1NC(=O)C[C@@H]1C=CCC1)O[C@H](C)C2 13022860 WQUSJJGPZRPMTD-CHWSQXEVSA-N 301.386 3.704 0 40 DHAB Cc1csc(NC(=O)CCn2ccc3ccc(F)cc32)n1 13684092 BAJAPMZSDUNNSZ-UHFFFAOYSA-N 303.362 3.574 0 40 DHAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)C1CCCC1 13695404 UDYUASZERGOVAF-UHFFFAOYSA-N 324.380 3.611 0 40 DHAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1O[C@H](C)CC 13843897 LPQQVNKVHYOADV-AHEVQNHNSA-N 321.398 3.587 0 40 DHAB CCc1noc(C)c1C(=O)Nc1nc2ccc(F)cc2s1 14021993 JMZYSVCBMQRXRW-UHFFFAOYSA-N 305.334 3.547 0 40 DHAB CC(=O)NCc1ccc(-c2csc(-c3ccsc3)n2)o1 14167067 OHYMKGCYIWKCRM-UHFFFAOYSA-N 304.396 3.768 0 40 DHAB COc1ccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 15670737 LLOJNFWFCIHOKD-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB O=c1[nH]c2ccccc2n1CCCSc1ccc(F)cc1F 17836532 MZYOGKHHRSRFMM-UHFFFAOYSA-N 320.364 3.790 0 40 DHAB COc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1 19926879 NIZBKIAHTHMFFG-INIZCTEOSA-N 303.358 3.613 0 40 DHAB O=C(O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 19943863 AOXAYONETOKCQO-UHFFFAOYSA-N 317.142 3.691 0 40 DHAB C[C@H](SCc1ccccc1)C(=O)N1CCc2ccccc2C1 20238717 SAPSAAHTRLHVKR-HNNXBMFYSA-N 311.450 3.893 0 40 DHAB CCOCCCNC(=O)c1ccccc1Nc1ccc(F)cc1 21900004 CVHGRXAYGZPTHK-UHFFFAOYSA-N 316.376 3.726 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(-c3nnco3)c2)C1(C)C 24738314 VCUCYYPTQIBKRM-HUUCEWRRSA-N 311.385 3.914 0 40 DHAB C[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969554 SCVRRLWAOFZKSJ-CYBMUJFWSA-N 317.820 3.599 0 40 DHAB CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 29568777 PFMDTYCVXOWAIV-OAHLLOKOSA-N 318.417 3.587 0 40 DHAB CCN(Cc1nc(O)c2oc3ccccc3c2n1)Cc1ccco1 30275181 APVUMBZKBDBGBC-UHFFFAOYSA-N 323.352 3.697 0 40 DHAB Cc1ccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)nc1 31215438 HRYMFYDNTQOFLW-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB Cc1cnc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1 31806232 VHWBFTPFRUUUQW-HNNXBMFYSA-N 301.415 3.508 0 40 DHAB O=C(NCc1ccc(CN2CCc3ccccc32)cc1)C1CCC1 31819668 ZRHCCEIAQNUXNA-UHFFFAOYSA-N 320.436 3.666 0 40 DHAB Cc1cc(N2CCN(Cc3ccccc3C)CC2)nc(C(C)C)n1 32717206 ORCCDNVTAZCNJS-UHFFFAOYSA-N 324.472 3.539 0 40 DHAB C[C@H](Cc1ccccc1Cl)NC(=O)c1cc(F)ccc1F 32930651 SVLBZRZBWHXYAM-SNVBAGLBSA-N 309.743 3.979 0 40 DHAB O=C1C[C@H](C(=O)Nc2cccc(OC(F)F)c2)c2ccccc21 38488481 PUBLPMVPJNFSHR-AWEZNQCLSA-N 317.291 3.597 0 40 DHAB Cc1nc(NC(=O)CCOc2ccc(Cl)cc2)sc1C 40130482 WBRJAHSHOBVJTL-UHFFFAOYSA-N 310.806 3.821 0 40 DHAB O=C(c1ccc(SCc2ccccc2F)nc1)N1CCCC1 42760738 LYZBIQOJVFGOQC-UHFFFAOYSA-N 316.401 3.749 0 40 DHAB COc1ccc(F)cc1[C@H](C)NCc1ccc(NC(C)=O)cc1 42797187 DBIXKTGONVDXBB-LBPRGKRZSA-N 316.376 3.644 0 40 DHAB CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[C@H]2C(=O)O)CC1 44135622 SWYPSOKKQZJXEP-UONOGXRCSA-N 311.422 3.525 0 40 DHAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1ccncc1 44935215 ADSMVZMFCTWPJT-CQSZACIVSA-N 315.442 3.947 0 40 DHAB CN(Cc1ccc(C(N)=O)cc1)Cc1csc2ccccc12 46089688 XFNKZRXDKYDIDC-UHFFFAOYSA-N 310.422 3.632 0 40 DHAB Cc1cc([C@@H](C)NC(=O)c2cnc3onc(C)c3c2)c(C)s1 46362873 XRBFDBJVNDBQJA-SECBINFHSA-N 315.398 3.701 0 40 DHAB COc1ncccc1NC(=O)CCCc1c[nH]c2ccccc12 47554199 WMQKMRFCOZNSIK-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB CC(C)Oc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1 61665840 MGEKOMVCDQTWCG-UHFFFAOYSA-N 304.777 3.962 0 40 DHAB CCCCS(=O)(=O)NCc1cccc(Oc2ccccc2)c1 64945121 GCPHGEOXNYQVQM-UHFFFAOYSA-N 319.426 3.698 0 40 DHAB CCCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 65565678 JCRLRCIDRVHGJK-UHFFFAOYSA-N 316.380 3.549 0 40 DHAB Fc1ccc(F)c(-c2nn3c(-c4ccsc4)nnc3s2)c1 66088292 RGUVCQUXIJDHEP-UHFFFAOYSA-N 320.349 3.860 0 40 DHAB Cc1ccc2nc(SCC(=O)O)nc(-c3ccccc3)c2c1 72265552 LPJHMTMPKFAKLN-UHFFFAOYSA-N 310.378 3.782 0 40 DHAB Cn1c(S[C@@H]2CCc3ccc(F)cc32)nnc1-c1ccco1 72312856 YLBUNEYFQYPYSX-CQSZACIVSA-N 315.373 3.994 0 40 DHAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccccc2F)C1 72405806 IHWCYJOZZMKHHK-CYBMUJFWSA-N 311.316 3.787 0 40 DHAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CC2(O)CCCC2)o1 74194640 VJCRHAZHDMMQTH-HOCLYGCPSA-N 319.445 3.837 0 40 DHAB CCS[C@@H]1CCCCN(C(=O)c2scnc2Cl)C1 78987410 ACNOWAOFFRPQFL-SECBINFHSA-N 304.868 3.544 0 40 DHAB Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3cccs3)nc12 79053182 IWDPCBFQZWROMG-YUNKPMOVSA-N 304.440 3.714 0 40 DHAB COc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1OC 87493257 IUAAHGUGVCQZAT-UHFFFAOYSA-N 310.271 3.954 0 40 DHAB C[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(F)c1Cl 95427624 AHYSREPSBVGORM-SNVBAGLBSA-N 307.752 3.546 0 40 DHAB Cc1cnc(Cn2nc(C)nc2-c2ccc3ccccc3c2)cn1 95956630 ZHCBEQJMKDUUQX-UHFFFAOYSA-N 315.380 3.553 0 40 DHAB COc1ccc(NC(C)=O)cc1N[C@@H](C)Cc1ccsc1 95990446 OGAYZDRRNPRVIH-NSHDSACASA-N 304.415 3.758 0 40 DHAB CN(C)c1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)nc1 96013118 DNERJNGCIXSDGJ-INIZCTEOSA-N 316.449 3.724 0 40 DHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2c(C)noc2C)o1 96433151 BSURQAHRYSNBPC-MEDUHNTESA-N 316.401 3.735 0 40 DHAB c1csc(-c2nccn2Cc2csc([C@H]3CCCO3)n2)c1 97037337 NPSMEUOSEGZRSC-GFCCVEGCSA-N 317.439 3.968 0 40 DHAB C[C@H](NC(=O)N[C@@H]1CCCc2sccc21)c1cccnc1 97161937 MZSCKRXXMQLMEF-SMDDNHRTSA-N 301.415 3.581 0 40 DHAB O=C(CN(C1=NCCS1)c1ccccc1)c1ccc(F)cc1 98027845 ODHRTZMEAHYQRA-UHFFFAOYSA-N 314.385 3.618 0 40 DHAB Cc1c(C)n(Cc2ccccc2)c2ncn(CC(C)C)c(=N)c12 101418130 UGDJPZRKEQCHPU-UHFFFAOYSA-N 308.429 3.638 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1nccn1C(F)F)C1CC1 110568042 JIOSXHAYTZXQQE-AVGNSLFASA-N 323.387 3.596 0 40 DHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(F)cc2)S1 222558719 JVBNWAJNBJPUEQ-XZJROXQQSA-N 313.401 3.810 0 40 DHAB CCCCNC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 225211633 UALPAGZGRHSPCL-UHFFFAOYSA-N 322.455 3.774 0 40 DHAB O=C(NCc1ccccc1)c1ccc2sc(Cl)nc2c1 225976573 ROKIUFTXLJLOLY-UHFFFAOYSA-N 302.786 3.880 0 40 DHAB CCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257238946 HNFKPXWXILWENX-AWEZNQCLSA-N 316.376 3.521 0 40 DHAB CCc1ccc2c(C3CN(C(=O)[C@]4(C)CC=CCC4)C3)ncn2c1 1565544591 MPYXGVGPPCREGP-HXUWFJFHSA-N 323.440 3.569 0 40 DHAB CC(C)N1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 2037834640 YCPLQWZWZHVEDU-LNLFQRSKSA-N 300.446 3.659 0 40 DHAB CCSc1nnc2c3c4c(sc3nc(C)n12)C[C@@H](C)CC4 413748 NQBUPOZKGGAJEX-QMMMGPOBSA-N 318.471 3.884 0 40 DHAB COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 1268556 KVGCMFVSQHUHPH-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB CN1CCC2(CC1)O[C@@H](c1ccccc1)[C@H](c1ccccc1)O2 1577616 VDZYAJURYXVGDG-OALUTQOASA-N 309.409 3.938 0 40 DHAB CC(C)C[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl 2065841 LWKXKKGXUQZNQO-JTQLQIEISA-N 304.217 3.923 0 40 DHAB CC(C)C[C@H](N)c1nnc(SC/C=C/c2ccccc2)o1 2371769 IYZQYHXUMJKJRM-MRZGDXHCSA-N 303.431 3.921 0 40 DHAB O[C@@H](CNC1CCCC1)Cn1c2ccccc2c2ccccc21 2836911 UIWHEXAVANZGHK-INIZCTEOSA-N 308.425 3.688 0 40 DHAB O=C1[C@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 4015834 IXKILPKLNITMJR-MHORFTMASA-N 307.393 3.703 0 40 DHAB COC(=O)c1oc2c(c1C)C(=O)C[C@H](c1cccc(Cl)c1)C2 5301927 QXMYRMCSVGMGBC-NSHDSACASA-N 318.756 3.941 0 40 DHAB CC(=O)N1CCCc2cc(NC(=O)c3ccccc3C)ccc21 5373554 RZUMFUXJCVRSBM-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C 5440716 LGDPKVOFTPGXTM-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB CCCSc1nc2ccccc2c(=O)n1-c1cccc(C)n1 5972677 LTGPBAMMYXGHTA-UHFFFAOYSA-N 311.410 3.591 0 40 DHAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-n2cccc2)c1 7359727 CKFPTSOKKRKTSH-UHFFFAOYSA-N 320.348 3.501 0 40 DHAB CCc1nnc2c(N(C)c3cccc(C)c3)nc3ccccc3n12 7504183 HDTQPXMACMRYGZ-UHFFFAOYSA-N 317.396 3.916 0 40 DHAB Cc1nc(-c2ccc(CNC(=O)c3ccccn3)s2)cs1 7820482 DMRDJNRLUFWCON-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12 7991051 GZJVMBVSBUDQHP-UHFFFAOYSA-N 302.717 3.638 0 40 DHAB CCOc1ccccc1OCCCOc1ccc(C(=O)O)cc1 8750322 DAKUQYXKGULQMH-UHFFFAOYSA-N 316.353 3.631 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CCCc2cccs2)c1 9314603 FUXZQOTTXZSDOG-UHFFFAOYSA-N 302.399 3.668 0 40 DHAB COc1ccccc1C(=O)Nc1ccccc1OC(F)(F)F 9456412 CARFLFDADHSVSJ-UHFFFAOYSA-N 311.259 3.846 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 12019887 DILGUXPGXBNXJS-UHFFFAOYSA-N 313.353 3.640 0 40 DHAB Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 12111549 RFAGRYHWEHOVIJ-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)C)cc1 12600204 PQBJBZOSCNISFK-UHFFFAOYSA-N 322.408 3.864 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 12902141 MKOYFHPBNVLVKW-FQEVSTJZSA-N 322.452 3.598 0 40 DHAB Cc1cccc2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12 12946014 QRJBNDMHHDKDAB-UHFFFAOYSA-N 322.295 3.958 0 40 DHAB CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1 13674625 YEIFXXKCFOZZDN-CQSZACIVSA-N 315.438 3.882 0 40 DHAB Cc1nc(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)cs1 14776889 OWMICRCYZBRFAX-VOTSOKGWSA-N 324.808 3.916 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCc2ccccc2C1=O 19083206 YOSCDMNSILJRMJ-HOTGVXAUSA-N 315.413 3.831 0 40 DHAB O=C(N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1ccncc1 19373855 JAQORNMJQZBIJX-XWSJACJDSA-N 306.409 3.784 0 40 DHAB Cc1cc(N)ccc1NC(=O)c1cccc(Br)c1 19512957 PNOUZUHDZYLWKI-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CCCn1cc(-c2cncn2CCCc2ccccc2OC)cn1 19719501 VAQLWMUUDRVMLZ-UHFFFAOYSA-N 324.428 3.798 0 40 DHAB Cc1c(N)cccc1NC(=O)COc1ccccc1C(C)(C)C 19736343 LOTRTDWBVDDWSF-UHFFFAOYSA-N 312.413 3.892 0 40 DHAB CN(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 19881202 NKXHYNHIDIWHPT-UHFFFAOYSA-N 319.202 3.767 0 40 DHAB COC(=O)[C@@H](C)c1ccc(-c2ccc(OC(C)=O)cc2)c(F)c1 22046971 PPSZEZRRJWMPME-NSHDSACASA-N 316.328 3.695 0 40 DHAB in-vitro CCC[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 22461827 RRGCHPIPEDIMGO-AWEZNQCLSA-N 307.397 3.944 0 40 DHAB CCN(CC)[C@H](CNC(=O)c1ccco1)c1ccccc1Cl 22681718 BYIHECRWRVEIPD-OAHLLOKOSA-N 320.820 3.746 0 40 DHAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1 22958024 AAUYQVBYNCKNKI-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB O=S(=O)(NCCCCc1ccccc1)c1cccc(Cl)c1 24759853 ZVMNDNXDKMEEJI-UHFFFAOYSA-N 323.845 3.641 0 40 DHAB Cc1cc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)c(C)s1 24968478 MLRRLDHIWABQCQ-LBPRGKRZSA-N 308.428 3.606 0 40 DHAB O=C(COc1ccccc1)NC1CCC(c2ccccc2)CC1 25097651 QNZROICVKHWMML-UHFFFAOYSA-N 309.409 3.908 0 40 DHAB Cc1noc2ncc(C(=O)NC[C@H](c3ccccc3)C(C)C)cc12 27632266 HPFGUAFIMJXBEI-KRWDZBQOSA-N 323.396 3.701 0 40 DHAB Cc1cccc(CN[C@H](c2cccc(F)c2)c2nccn2C)c1 30645414 SMEMXWBOYFKXAQ-GOSISDBHSA-N 309.388 3.747 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)N(C)CCOc1cccc(Cl)c1 32863325 ATTBTYYOSHUGCQ-BBRMVZONSA-N 324.852 3.939 0 40 DHAB CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C)noc2n1 36621649 COGJHEPZPCVJRN-LLVKDONJSA-N 309.369 3.585 0 40 DHAB O=C(C[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1cccs1 44939633 VBMOGSUTQFQNIY-YOEHRIQHSA-N 301.411 3.523 0 40 DHAB Cc1cccc(COc2cccc(C(=O)Nc3cc(C)n[nH]3)c2)c1 47555267 OQORSBYYXPVIOS-UHFFFAOYSA-N 321.380 3.858 0 40 DHAB O=C(NCc1ccoc1)Nc1ccccc1OC1CCCC1 47600742 KSLHMAHPWSMJBZ-UHFFFAOYSA-N 300.358 3.923 0 40 DHAB CSc1nccn1-c1ccc(C(=O)Nc2cccc(C)n2)cc1 48227577 SBSZDVAVBLZDSL-UHFFFAOYSA-N 324.409 3.550 0 40 DHAB COCCOc1c(Cl)cccc1NC(=O)C[C@H]1C=CCC1 58313397 JYSKUZGKHNSOAL-LBPRGKRZSA-N 309.793 3.660 0 40 DHAB O=C1N[C@H](c2nc(-c3ccccc3)cs2)Nc2ccccc21 66738601 PTOWFNHRTPMUFH-OAHLLOKOSA-N 307.378 3.664 0 40 DHAB O=C(c1cc(-c2csc(-c3ccoc3)n2)c[nH]1)N1CCCC1 69629607 AXPYLJVFTBLVSV-UHFFFAOYSA-N 313.382 3.634 0 40 DHAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)c(F)c1 71283309 ABRVKPCBTZNCPP-LBPRGKRZSA-N 303.337 3.735 0 40 DHAB COc1ccc2cc(C(=O)Nc3cc(C)cc(C)c3)c(=N)oc2c1 71328567 JWWIUENKJWONMW-UHFFFAOYSA-N 322.364 3.790 0 40 DHAB O=C(O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 71978968 MWXCWRZVUVDGSI-OAHLLOKOSA-N 300.745 3.732 0 40 DHAB COc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)c(OC)c1 72016122 PTUVNQSESVQXSX-UHFFFAOYSA-N 314.341 3.550 0 40 DHAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1nc2ccccc2o1 72276556 OQARQUUWXYPXPO-GFCCVEGCSA-N 316.792 3.865 0 40 DHAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C3CCCCC3)C2)n[nH]1 84110219 CSBFEQSMTYBOKA-BRWVUGGUSA-N 315.461 3.641 0 40 DHAB COc1ccc(NC(C)=O)cc1NCCSc1ccccc1 95464732 DAOUQXXMSYPDSY-UHFFFAOYSA-N 316.426 3.858 0 40 DHAB COc1ccccc1[S@](=O)Cc1coc(-c2ccccc2)n1 95953343 JIBWFJORYZRTLR-QFIPXVFZSA-N 313.378 3.658 0 40 DHAB CC(C)c1nc([C@H](C)NC(=O)CSC(C)(C)C)cs1 96406182 MTWWIFFIQCPHKR-JTQLQIEISA-N 300.493 3.975 0 40 DHAB Fc1ccc([C@@H](Nc2ncncc2Br)C2CC2)cc1 97016674 GQCYWXKLPIGUSB-ZDUSSCGKSA-N 322.181 3.941 0 40 DHAB CC(=O)Nc1ccc(CNc2nnc(C3CCCCC3)o2)cc1 97045392 GKSNDFPJMRAUEO-UHFFFAOYSA-N 314.389 3.688 0 40 DHAB Cc1ccc(NCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1F 102368977 CABRSQSWWDDZIZ-BEFAXECRSA-N 318.436 3.973 0 40 DHAB O=C(COc1ccccc1)N(Cc1ccsc1)c1cccnc1 171353963 YFXVXRHESNYFED-UHFFFAOYSA-N 324.405 3.755 0 40 DHAB Cc1ccn2c(-c3nnc(-c4ccc(F)cc4)o3)c(C)nc2c1 216604635 YDMOVGJRLMNZRG-UHFFFAOYSA-N 308.316 3.807 0 40 DHAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccccc2)cc1 219480433 QUDMPAUGEOLNFL-HNNXBMFYSA-N 315.438 3.671 0 40 DHAB COc1ccc(C(=O)NC(C)C)cc1COc1ccc(C)cc1 224118417 LEOYUNYJXMZRPK-UHFFFAOYSA-N 313.397 3.721 0 40 DHAB CCO[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132414 IABGSXRFUXBSED-HNNXBMFYSA-N 302.395 3.870 0 40 DHAB O=C(NC1CCCCCC1)c1cc2cc(Cl)ccc2oc1=O 226041118 HZFUDSYBHOWVFE-UHFFFAOYSA-N 319.788 3.899 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)n2)cc1 257173873 ZSDLVIGBWPYXDJ-GJZGRUSLSA-N 324.424 3.615 0 40 DHAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1F 383069 BKUYBACBXMHXIA-CQSZACIVSA-N 301.361 3.503 0 40 DHAB CC(C)C(=O)OCC(C)(C)[C@H]1OCC(C)(C)[C@H](C(C)C)O1 1600791 BKUWIJQGNMWGAU-ZFWWWQNUSA-N 300.439 3.636 0 40 DHAB COc1ccc(OC(=O)Nc2ccc(OC)cc2Cl)cc1 1738519 BZITXIJTOFXTCV-UHFFFAOYSA-N 307.733 3.968 0 40 DHAB COc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 2838864 ROTNBSQJGGTOEF-UHFFFAOYSA-N 310.353 3.757 0 40 DHAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1O 3154167 JVCNKTSZPNWHSB-UHFFFAOYSA-N 316.407 3.733 0 40 DHAB CCCC(=O)N(C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4223341 ZUMFIWUQQJZSBH-UHFFFAOYSA-N 319.474 3.769 0 40 DHAB O=C(Nc1nnc(-c2ccncc2)o1)c1ccc2ccccc2c1 4265073 ZXZRLLLGMUSORB-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB CCCCOCCCNC(=O)c1ccc(-c2ccco2)cc1 4575987 XLHFMAQUERPURV-UHFFFAOYSA-N 301.386 3.883 0 40 DHAB O=C([C@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCCC1 4746206 NDBPMLBDIHPRNW-IBGZPJMESA-N 322.452 3.674 0 40 DHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 5126754 NOMXWIQTJPYTJX-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB S=C(NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 5127276 JHZHUMLAFLBVTC-UHFFFAOYSA-N 300.471 3.620 0 40 DHAB CC(=O)Nc1ccc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 7028474 LCXNGBIYIWJTPI-STQMWFEESA-N 320.458 3.527 0 40 DHAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cccnc1Cl 7360381 UMXIZIIXKFQQKD-LBPRGKRZSA-N 315.804 3.515 0 40 DHAB Cc1cccc(N2C[C@H](C(=O)Oc3c(C)cccc3C)CC2=O)c1 7929071 UGHYAOVHISGHBO-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 8087826 RCHJJSHACLNHAK-INIZCTEOSA-N 322.408 3.549 0 40 DHAB Cc1nc2ccc(NC(=O)CCc3c(C)noc3C)cc2s1 9156117 KDLOMCAWAXPMRK-UHFFFAOYSA-N 315.398 3.781 0 40 DHAB Cc1nc2c3ccccc3nc(SCCc3ccccc3)n2n1 9486792 YLCZKMYKTCYLLO-UHFFFAOYSA-N 320.421 3.921 0 40 DHAB Cc1cc(CSc2nc(C3CC3)n(-c3ccccc3)n2)on1 9609691 PHFPRXJLUBNWGB-UHFFFAOYSA-N 312.398 3.733 0 40 DHAB CCC(CC)NC(=O)N(CC)[C@H](C)C(=O)Nc1ccc(C)cc1 9885565 BGYKAUREOXJEGW-CQSZACIVSA-N 319.449 3.542 0 40 DHAB COc1ccc(CNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 9909044 YZIQOIZYJLIHKT-SUMWQHHRSA-N 313.397 3.661 0 40 DHAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1C 12592687 RYNRRMXPKPJIFI-LBPRGKRZSA-N 303.793 3.791 0 40 DHAB CC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 12732997 FVFPJZDSHTWGRG-GFCCVEGCSA-N 316.426 3.581 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)O)ccc1C 13169949 DRRIUEGVNYKGKK-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB COc1ccc(NC(=S)Nc2cc(C)ccc2F)c(OC)c1 13840278 RSQGOCZDENGXTL-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCCC2)o1 15860156 QJPNITKGWNAZOL-QGZVFWFLSA-N 312.413 3.545 0 40 DHAB Cc1ccc(NC[C@@H](CC(=O)O)c2nc3ccccc3[nH]2)cc1C 17052872 JMVWGAXQZNKQGR-CQSZACIVSA-N 323.396 3.850 0 40 DHAB Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccccc1Cl 19736104 MMRBYEJQNRXZEU-NSHDSACASA-N 304.777 3.637 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736478 AJULWDWAAUAJSU-LLVKDONJSA-N 304.777 3.637 0 40 DHAB Cc1cc(C)cc(NC(=S)NC(=O)c2cccc(F)c2)c1 21596226 ISRZZDLXCXKIEM-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB C[C@H]1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1 28790910 KQOIQLBYMBXQMC-QMMMGPOBSA-N 307.806 3.569 0 40 DHAB Cc1csc(CNC(=O)c2cc(C3CC3)nc3ccccc23)n1 29246116 JRFLEDVCSYFDAK-UHFFFAOYSA-N 323.421 3.807 0 40 DHAB COc1ccc2c(CNc3ccc(C(C)=O)cc3)cc(=O)oc2c1 29398635 KWYPWTAXDRNIIR-UHFFFAOYSA-N 323.348 3.616 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 32502449 GFNJWMRYCZPUCQ-SFHVURJKSA-N 324.424 3.607 0 40 DHAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccccn2)cc1 32905405 JSDOJWJGVIGPKC-UHFFFAOYSA-N 316.360 3.873 0 40 DHAB COc1ccc(OCCCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 33028624 QVPVCBSHKWQBRW-RVKKMQEKSA-N 319.445 3.795 0 40 DHAB COc1ccc(OCCCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 36350806 QVPVCBSHKWQBRW-HDMKZQKVSA-N 319.445 3.795 0 40 DHAB O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccn1 40156296 DNAXSIKBFFNOTF-UHFFFAOYSA-N 318.380 3.534 0 40 DHAB Cc1noc(C)c1CN1CCn2cccc2[C@H]1c1ccccc1 40504753 UDRDZMQLDMOLFF-LJQANCHMSA-N 307.397 3.698 0 40 DHAB COc1ccc2oc(C)c(C(=O)NCCc3cccs3)c2c1 41156380 XMYJHVHZCGUGBW-UHFFFAOYSA-N 315.394 3.784 0 40 DHAB Cc1cc([C@@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)on1 52010259 BNGGLLHEJSDTGP-GJZGRUSLSA-N 306.793 3.507 0 40 DHAB Cc1nc(CN(Cc2ccccc2C(F)(F)F)C2CC2)no1 52046194 AWCYSFHFKXMDHH-UHFFFAOYSA-N 311.307 3.561 0 40 DHAB Cc1cc(NC(=O)N[C@H](C)c2ccccc2Br)no1 53248295 JDBOAVKDXVAQPS-SECBINFHSA-N 324.178 3.628 0 40 DHAB CC(C)(C)n1cc(C(=O)N2CCC[C@H]2c2ccsc2)cn1 53271237 HBAIBEHLKVNEAF-AWEZNQCLSA-N 303.431 3.677 0 40 DHAB CC(=O)c1ccc(N2CCN(Cc3ccccc3C)CC2)cc1 55031437 LOTVQQJTPPCZRL-UHFFFAOYSA-N 308.425 3.520 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1 55590399 ZQLWKZNZLCOPBB-UHFFFAOYSA-N 305.399 3.583 0 40 DHAB CCc1nc(COc2ccc(NC(=O)C3CC3)cc2)cs1 58054057 DIGPMUISBBIMEJ-UHFFFAOYSA-N 302.399 3.633 0 40 DHAB COc1ccc2cc(CNCc3ccccc3CO)ccc2c1 58165867 YKZGWNKCQCVZMQ-UHFFFAOYSA-N 307.393 3.631 0 40 DHAB COc1ccccc1NC(=O)NCc1cc(-c2ccccc2)on1 58171374 OMRWDPHHQFXOQG-UHFFFAOYSA-N 323.352 3.672 0 40 DHAB COc1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 65553494 OGDRVNUUYGJSEK-HNNXBMFYSA-N 324.424 3.673 0 40 DHAB COc1c(CNCc2ccc([C@H]3C[C@@H]3C)o2)c(C(C)C)nn1C 69418562 TYFIMEVQDVXJFN-JSGCOSHPSA-N 317.433 3.558 0 40 DHAB CC[C@@H](OC)C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 71839127 RVJFSNHRQCPEGV-ZIAGYGMSSA-N 318.442 3.775 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72211660 YVZMTBVFIYBOCC-INIZCTEOSA-N 312.369 3.564 0 40 DHAB O=C(O)c1[nH]nc(-c2ccc(F)cc2)c1Cc1cccs1 72220440 RERLHMRGKAXUHD-UHFFFAOYSA-N 302.330 3.566 0 40 DHAB COc1ccc(-c2nc(CSc3cnccn3)cs2)cc1 74790895 BWUIHZCRSLOQQM-UHFFFAOYSA-N 315.423 3.901 0 40 DHAB Cc1nn(-c2ccccc2)c2c1[C@@H]1c3ccccc3OC[C@H]1CO2 75149073 YTTQVUATZFHJTL-LIRRHRJNSA-N 318.376 3.714 0 40 DHAB CC(C)n1ncc2ccc(NC(=O)CCCc3ccccn3)cc21 78549384 SJGBSGPSYCYILD-UHFFFAOYSA-N 322.412 3.974 0 40 DHAB CC(C)[C@H](N)C(=O)N(Cc1cccc(Cl)c1Cl)C(C)C 79421039 GSOVXDQQHZCTFD-AWEZNQCLSA-N 317.260 3.714 0 40 DHAB CCC[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1 80343784 YMVGSAHCPGFRPV-BBWFWOEESA-N 317.429 3.578 0 40 DHAB CCN1CCC(n2nccc2NCc2ccccc2Cl)CC1 84789065 VALFFVDHBSHGFV-UHFFFAOYSA-N 318.852 3.805 0 40 DHAB Cc1c(NC(=O)NCc2ccon2)cccc1OC1CCCC1 95406286 FWAROWMEOAPZBK-UHFFFAOYSA-N 315.373 3.626 0 40 DHAB CCc1noc(C)c1C(=O)N1CCC(=Cc2ccccc2)CC1 95408085 OTKOHPYBJTXBGY-UHFFFAOYSA-N 310.397 3.865 0 40 DHAB Cc1csc(CNc2cccc(NC(=O)c3ccoc3)c2)n1 95428905 IVQYBDJAZYKQFF-UHFFFAOYSA-N 313.382 3.909 0 40 DHAB COC(=O)CC1(NC[C@H]2C[C@@H]2c2ccccc2)CCCCC1 95453402 ZNWCPXSYALLPKP-IAGOWNOFSA-N 301.430 3.646 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)CSC[C@@H](C)c1ccccc1 95993974 CQWPEEQIRWZELM-LLVKDONJSA-N 303.431 3.502 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccncc1)[C@H]1C[C@H]1c1ccco1 107318011 QNNIAOYVBCOICF-ZIFCJYIRSA-N 318.376 3.684 0 40 DHAB CCc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1 223370162 PZUBTSVAFLFKOU-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB S=C(NCCCSC1CCCCC1)Nc1cccnc1 225592220 QRWHXWKAZMZJFU-UHFFFAOYSA-N 309.504 3.824 0 40 DHAB O=C(c1cc2cc(F)ccc2s1)N1CC[C@@H](OCC2CC2)C1 390831969 WISRBODDFSJDTP-CQSZACIVSA-N 319.401 3.682 0 40 DHAB CCCCCN1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O 409203335 WLZPYKXYPBLDJU-UVTDQMKNSA-N 321.398 3.627 0 40 DHAB O=C(c1cnc2c(cnn2C2CCCCC2)c1)c1ccccc1O 521402308 WOUOIHIAIOQRLK-UHFFFAOYSA-N 321.380 3.873 0 40 DHAB Cc1cc(CN(C)Cc2cnn(C)c2C)ccc1C(F)(F)F 576368407 PYZYLWAQJJIOLZ-UHFFFAOYSA-N 311.351 3.688 0 40 DHAB Clc1cccn2ncc(-c3cccc([C@@H]4CCCNC4)n3)c12 2037843334 BPMCQEGBDVRQCJ-GFCCVEGCSA-N 312.804 3.517 0 40 DHAB CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(C)cc1 214021 GFSDVLJBDFJXPP-UHFFFAOYSA-N 321.405 3.897 0 40 DHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(F)cc2F)c1 505898 GYYOPZRYHNADRA-UHFFFAOYSA-N 320.364 3.708 0 40 DHAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1 510380 XCCCTOGIKJDXPX-UHFFFAOYSA-N 322.408 3.955 0 40 DHAB CCOC(=O)c1c(C)[nH]c(NC(=O)OCc2ccccc2)c1C 568523 XGBGPDMAPMSTDE-UHFFFAOYSA-N 316.357 3.557 0 40 DHAB CCN1C(=O)S/C(=C\c2cccc(OC)c2OC(C)C)C1=O 981256 WGPBNVVQTVKUER-LCYFTJDESA-N 321.398 3.539 0 40 DHAB Cc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)c1 1343041 PVDPSJWZLMLPRD-KRWDZBQOSA-N 323.396 3.630 0 40 DHAB CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC 2218737 SDQKDGIXTOSJJL-UHFFFAOYSA-N 311.341 3.596 0 40 DHAB CCCCn1c(CCCNC(=O)CCC)nc2ccccc21 2601786 WMLPIOGMRPSJHI-UHFFFAOYSA-N 301.434 3.685 0 40 DHAB Cc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1 2780001 CDKCBZPDTTYUAR-UHFFFAOYSA-N 324.207 3.997 0 40 DHAB CC(C)c1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 3560438 CEKRXBPBNSTDCW-UHFFFAOYSA-N 324.424 3.899 0 40 DHAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(F)cc1 3598445 SAHUXGCWPDWHDA-SOFGYWHQSA-N 310.122 3.833 0 40 DHAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl 4667100 AEXPCUOCUOTZML-BXKDBHETSA-N 322.257 3.850 0 40 DHAB COc1cc2ccccc2cc1C(=O)OCc1c(C)noc1C 4836152 CTZYZRSCJZATKA-UHFFFAOYSA-N 311.337 3.810 0 40 DHAB C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1 4937219 UKJAJJXEDFGOGV-LBPRGKRZSA-N 323.323 3.802 0 40 DHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC=CC[C@H]1C(=O)O 6328639 NYNHZOFZAMITQY-NWDGAFQWSA-N 314.168 3.599 0 40 DHAB Cc1cccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)c1 6811339 OIOZPPRZLCRCBM-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB CCN1C(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 6953661 DJBOHUKIIHBBHL-GXDHUFHOSA-N 324.336 3.511 0 40 DHAB Cc1ccccc1CSc1nnnn1-c1cccc(C)c1C 7686128 DPSOPYHEDNBDDT-UHFFFAOYSA-N 310.426 3.880 0 40 DHAB COc1cc(CCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1 7953180 YUBYKUGFTDWOCA-UHFFFAOYSA-N 321.323 3.553 0 40 DHAB COc1ccccc1-c1cnn2c(C(F)(F)F)cc(C)nc12 8569774 TUMQAYZUABBDGA-UHFFFAOYSA-N 307.275 3.732 0 40 DHAB COCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 12137986 JGHPVFQISJBBIY-UHFFFAOYSA-N 319.788 3.546 0 40 DHAB Cc1ccc(F)cc1NC(=O)CC1(C(=O)O)CCCCCC1 13252661 GHVNUZPUBBZRGR-UHFFFAOYSA-N 307.365 3.888 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1Cl 14396653 CINKSXXUFURHQC-NSHDSACASA-N 307.752 3.563 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)CCc1ccccc1 14738036 GRPPYYGNSDPPFX-CABCVRRESA-N 315.388 3.731 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1cccc2ncccc12 14791816 NZTQZYQCXQEPBB-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)CSc1ccccc1 15471274 JXEVYZDSLLVISB-ZDUSSCGKSA-N 301.411 3.665 0 40 DHAB O=C(c1ccccn1)N1CCC[C@H](c2nc3ccccc3s2)C1 15697180 IHXIKDJKBURUAU-ZDUSSCGKSA-N 323.421 3.711 0 40 DHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 16091676 ZTNXYCFIAJDMAX-UWVGGRQHSA-N 322.257 3.660 0 40 DHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1 20481867 KKGMPMDWHONGBB-HNNXBMFYSA-N 303.789 3.814 0 40 DHAB Cc1ccc(Cc2cnc(NC(=O)c3ccc(C)nc3)s2)cc1 23761742 KESOSRQGDUUPDQ-UHFFFAOYSA-N 323.421 3.998 0 40 DHAB CCOc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1 27581233 WWXNBBVMPKTFBX-UHFFFAOYSA-N 322.364 3.670 0 40 DHAB O=C(NC1CC1)c1sc(-c2ccco2)nc1-c1ccccc1 29564190 YYLOPINNLXSJPH-UHFFFAOYSA-N 310.378 3.962 0 40 DHAB CCCc1nc(CSc2nc(N)c3ccsc3n2)cs1 32777245 HJBXORRDZVXRSS-UHFFFAOYSA-N 322.484 3.975 0 40 DHAB C[C@@H](NC(=O)c1cccc(F)c1)c1cccc(OC(F)F)c1 32930426 CYIGFWIQPVQRCW-SNVBAGLBSA-N 309.287 3.918 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)c1cc(Br)c[nH]1 35221843 ZRZCHOHSXJMGFE-UHFFFAOYSA-N 321.218 3.828 0 40 DHAB Cc1cc(Cl)c2cc(I)ccc2n1 37413009 JBHDVNCTTSXFAX-UHFFFAOYSA-N 303.530 3.801 0 40 DHAB O=C(NCCCOCc1ccco1)C12CC3CC(CC(C3)C1)C2 40030661 BKQCLHMXIBVNSA-UHFFFAOYSA-N 317.429 3.519 0 40 DHAB COc1cccc(CNC(=O)NC2(c3ccccc3)CCC2)c1 40150022 QHPHGGCSXCYQHI-UHFFFAOYSA-N 310.397 3.574 0 40 DHAB CCCCN(CC)C(=O)Nc1cccc(Cn2ccnc2)c1 40527034 SQFJIKPKSUZLBJ-UHFFFAOYSA-N 300.406 3.585 0 40 DHAB O=C(O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1 41566703 VRAUXWIMMTZZBI-UHFFFAOYSA-N 313.744 3.625 0 40 DHAB OC[C@H](CNc1nc2ccccc2s1)Cc1ccc(F)cc1 42103459 KTPOXBBLDIYHNH-ZDUSSCGKSA-N 316.401 3.699 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(F)cc2)cc1 45825010 YLCIWFQDYOEKAV-AWEZNQCLSA-N 301.361 3.560 0 40 DHAB CCOCCCC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 48226862 OMFSKVKMJHKNNL-MRXNPFEDSA-N 318.461 3.674 0 40 DHAB CCCOc1ccc([C@@H](C)NC(=O)C2CCCC2)cc1OC 48324418 YQFUDMUCTFPZOY-CYBMUJFWSA-N 305.418 3.851 0 40 DHAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1)C3 55393829 LMCXTRGYBNZPHY-UHFFFAOYSA-N 321.376 3.708 0 40 DHAB CC(=O)c1c(C)cc(C)c(CNc2cccc(C(N)=O)c2C)c1C 55839328 BIOYYTGRZLSDQI-UHFFFAOYSA-N 324.424 3.834 0 40 DHAB Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)on1 58430219 CCPLIYWQNBOIAD-UHFFFAOYSA-N 321.380 3.529 0 40 DHAB O=c1[nH]c2ccc(-c3csc(CCc4ccccc4)n3)cc2[nH]1 60511096 XYYQPSZWIPJLHJ-UHFFFAOYSA-N 321.405 3.765 0 40 DHAB CC(=O)N1CCC[C@H](c2cnc(-c3ccc(Cl)cc3)cn2)C1 72360766 GXGKMIQDZPKSPH-AWEZNQCLSA-N 315.804 3.523 0 40 DHAB C[C@H](CNC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 78517728 LWPWQHFIJXQNOL-OAHLLOKOSA-N 318.461 3.779 0 40 DHAB CN(C)CN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 85406298 RTTFCVNTFPKFHC-GXDHUFHOSA-N 318.442 3.540 0 40 DHAB CCN(C(=O)c1ccc(F)c(Br)c1)c1ccncc1 95403574 YYAMNHUTUYUIJD-UHFFFAOYSA-N 323.165 3.650 0 40 DHAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C1CCOCC1 95964672 VUYDDPCJCOROBQ-GLQYFDAESA-N 308.805 3.802 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@@H](c2ccn[nH]2)C1 96024831 VMJNKVWVRPSLCE-CYBMUJFWSA-N 311.410 3.644 0 40 DHAB O=c1oc(CCc2ccco2)nc2sc3c(c12)CCCC3 96305943 JZDRJILVRMSZPO-UHFFFAOYSA-N 301.367 3.507 0 40 DHAB CCOc1cc(NC(=O)N(C)Cc2nccs2)ccc1C 96445959 DSYAVGJBZKUVOP-UHFFFAOYSA-N 305.403 3.514 0 40 DHAB COc1ccc(C(=O)NCc2cccc3ccccc23)cc1F 97160504 KNEUOIUMVHRSDI-UHFFFAOYSA-N 309.340 3.918 0 40 DHAB Cc1cc(C)nc(N(C)Cc2cc(Br)cs2)n1 97476286 FQZGLJDKUIKIHD-UHFFFAOYSA-N 312.236 3.554 0 40 DHAB Cc1ccc(C2=C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 102046575 FERRGGSRHKDACM-KRWDZBQOSA-N 306.344 3.782 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102306323 DTMAZMKJRNMIRQ-HBPKQKSZSA-N 301.430 3.703 0 40 DHAB C[C@H](C(=O)Nc1cc([C@H]2C[C@H]2C)n[nH]1)c1ccc(Cl)s1 176145052 KVVVCNFOLGHXHI-VGMNWLOBSA-N 309.822 3.990 0 40 DHAB OCCc1ccc(OCc2cccc(Br)c2)cc1 178975556 SHRHXEGYHSRIAU-UHFFFAOYSA-N 307.187 3.563 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2)c(C)c1 219527709 KBDSKSMAAWLWGU-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)Cc2ccc(C)c(C)c2)c1 224084488 QBGCTWVOMWMIHN-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB CCOc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 225106915 YOLBEZVSOPMOLF-INIZCTEOSA-N 320.772 3.813 0 40 DHAB CC[C@@H](CNC(=S)Nc1ccc(C)cn1)Cc1ccccc1 225633771 HPRCRNBKHQADFZ-OAHLLOKOSA-N 313.470 3.945 0 40 DHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)nc1C 225886780 BDACXARLYLSADL-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB CCc1cnccc1NC(=O)C1(c2ccc(C)cc2)CCOCC1 265164947 COVRYPRMDAGZKF-UHFFFAOYSA-N 324.424 3.639 0 40 DHAB O[C@@](CNc1nc2ccccc2o1)(c1cccs1)C1CC1 1775970279 ABWSSUJTMKRXEI-MRXNPFEDSA-N 300.383 3.599 0 40 DHAB Cc1cnc(C(=O)N2CCC(Cc3ccccc3)CC2)c(F)c1 1889148892 RBEDXQLZRFTESX-UHFFFAOYSA-N 312.388 3.624 0 40 DHAB CCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1 367067 ZHFKLOCCVMGQQM-UHFFFAOYSA-N 324.833 3.850 0 40 DHAB Cc1ccc(C)c([C@H]2CC(c3cc4ccccc4oc3=O)=NN2)c1 1101793 WWIKTEYXOLBIJN-QGZVFWFLSA-N 318.376 3.849 0 40 DHAB CC(=O)OCCCC[C@@H]1CO[C@@H](c2ccc(C(C)C)cc2)O1 1681895 DDLOGTGEIHACKY-QZTJIDSGSA-N 306.402 3.957 0 40 DHAB COc1ccc(C(=O)c2ccccc2CN2CCCCC2)cc1 2515493 WMYSBEOHMMQEOE-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB COc1ccc(C(=O)COC(=O)c2ccc(F)cc2Cl)cc1 3228152 ORNNZMQFZLAKLP-UHFFFAOYSA-N 322.719 3.527 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)c1cc2c(s1)CCCC2 3552675 ATQUHPWRRBUFCF-UHFFFAOYSA-N 305.428 3.608 0 40 DHAB COC(=O)c1ccccc1NC(=O)N(c1ccccc1)C(C)C 4105544 GIBCFNIQNCSFGO-UHFFFAOYSA-N 312.369 3.920 0 40 DHAB Cc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)o1 4543385 LACGJSHPVBNHBT-RMLUDKJBSA-N 302.399 3.628 0 40 DHAB CC1(C)Cc2c(sc3nc(-c4ccccc4)[nH]c(=O)c23)CO1 5129330 JGPQIYWXYWSUHW-UHFFFAOYSA-N 312.394 3.503 0 40 DHAB CCc1cccc(C)c1NC(=O)Cc1ccc2c(c1)OCCO2 6152436 VUJGLRRSJHFSQZ-UHFFFAOYSA-N 311.381 3.510 0 40 DHAB O=C(Nc1ccc(Br)cc1Cl)c1ccncc1 6260071 IFMVJUFLHZSHBP-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB COc1ccc([C@@H](NC(=O)c2ccncc2)c2ccccc2)cc1 6881880 ARODZGWPNRBUSD-IBGZPJMESA-N 318.376 3.610 0 40 DHAB N#C/C(=C/c1cccn1-c1ccc(F)cc1)C(=O)NC1CCCC1 6971171 NMDUUBYWBQFPIG-OWBHPGMISA-N 323.371 3.582 0 40 DHAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1 7909189 KJUZGUMUYUWTCV-CQSZACIVSA-N 321.380 3.547 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2c(C)cc(C)cc2C)c1 8314379 FBNALCPYAWPKAP-UHFFFAOYSA-N 311.381 3.959 0 40 DHAB COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3[nH]2)o1 8580791 CQJLREVXQVSCCB-UHFFFAOYSA-N 322.773 3.888 0 40 DHAB O=C(NCc1cccc(C(F)(F)F)c1)c1n[nH]c2ccccc12 8746626 KREMHNYFCZDMMN-UHFFFAOYSA-N 319.286 3.512 0 40 DHAB CCc1cccc(C)c1NC(=O)CN(C)Cc1sccc1C 9722297 MNPCAXZKPZIUCR-UHFFFAOYSA-N 316.470 3.998 0 40 DHAB O=C(NCCc1cccc(F)c1)c1ccc(-n2cccc2)cc1 9920377 RGRJIPDJTYFCGV-UHFFFAOYSA-N 308.356 3.589 0 40 DHAB COc1ccc(OC[C@@H](C)NC(=O)c2cccc(Cl)c2)cc1 10542498 RYIUBADEZWPSDO-GFCCVEGCSA-N 319.788 3.546 0 40 DHAB CCC(=O)N1CCc2cc(-c3cn4cc(C)ccc4n3)ccc21 12088185 BRACEYHVXRWQPW-UHFFFAOYSA-N 305.381 3.609 0 40 DHAB CCOC(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1Cl 20452884 TVBBNMIKUWJQCJ-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)nc2Cl)n1 22125560 REUHUPOLUFJGPX-UHFFFAOYSA-N 320.183 3.648 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)cc2F)cc1 22285376 CXLXHSGJLXGOST-QGZVFWFLSA-N 317.335 3.951 0 40 DHAB COC(=O)c1ccc(C(=O)Nc2c(C)cccc2C(C)C)nc1 22960158 MZKAHXUXUBUIHR-UHFFFAOYSA-N 312.369 3.552 0 40 DHAB CCc1cc(C(=O)Nc2ccc(CN(C)C)cc2)sc1C 23898784 IAOGDFOOHZQCGK-UHFFFAOYSA-N 302.443 3.933 0 40 DHAB COc1cccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)c1 24831842 AJZNWSIJVDNBLZ-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccco1 26517848 GWANGVWXOQOBMA-UHFFFAOYSA-N 313.184 3.928 0 40 DHAB Cc1ccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)nc1 27970791 NLLZBQDZKGCSTN-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB C[C@H](NC(=O)CC(C)(C)CC(=O)O)c1cc2ccccc2o1 29010818 MOCXJJCXYXBKIE-NSHDSACASA-N 303.358 3.501 0 40 DHAB CN(Cc1ccc(-n2cccn2)cc1)[C@H]1CCc2ccccc21 29488888 AGFZHTISROCYEO-FQEVSTJZSA-N 303.409 3.992 0 40 DHAB Cn1cc(/C=C/C(=O)N[C@H](c2cccs2)C2CCCC2)cn1 31804695 YTZNYRCTZZVEFT-IJDCCNJMSA-N 315.442 3.543 0 40 DHAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 32623864 QMUHHADFEJIZBY-UHFFFAOYSA-N 323.352 3.761 0 40 DHAB CSc1ncccc1C(=O)NCCSCc1ccsc1 32823463 ICJXPXTXPNJUKL-UHFFFAOYSA-N 324.496 3.528 0 40 DHAB CN(Cn1c(=O)oc2ccccc21)[C@@H]1CCCc2ccccc21 32899417 FNMMJDOTOZJGBJ-MRXNPFEDSA-N 308.381 3.561 0 40 DHAB O=C(NCCc1cccc(F)c1)Nc1cccc(OC(F)F)c1 35929917 OOQREOBZRSVDTQ-UHFFFAOYSA-N 324.302 3.791 0 40 DHAB Cc1ccc(CN(C)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)o1 42765144 JFBVVNGUMANWTD-UHFFFAOYSA-N 315.417 3.689 0 40 DHAB O=C(NCC1CC1)c1cc(C2CC2)nc2onc(-c3ccco3)c12 47076349 JRUBAHNFNVMZIP-UHFFFAOYSA-N 323.352 3.500 0 40 DHAB CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 48278675 LALXFUJYHGDEKH-KDOFPFPSSA-N 319.470 3.862 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979480 XENPZQQZPKIHNP-KOLCDFICSA-N 318.760 3.780 0 40 DHAB Cc1ccc(-c2nc(C(=O)Nc3ccc4cn[nH]c4c3)cs2)o1 58146244 RQDBNQRMZWLKKI-UHFFFAOYSA-N 324.365 3.840 0 40 DHAB CC[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(C)C 58413672 XFZYHRSJOVCTRV-ZDUSSCGKSA-N 311.809 3.666 0 40 DHAB CSc1ccccc1NC(=O)N[C@@H](C)c1c(C)nn(C)c1C 65607359 MMTQZKUDIBJTBG-JTQLQIEISA-N 318.446 3.642 0 40 DHAB COc1cccc2cc(C(=O)Nc3cccc(C)c3C)c(=N)oc12 67190172 CGXDAUDMZANZRM-UHFFFAOYSA-N 322.364 3.790 0 40 DHAB COc1ccc(OC)c(NC(=S)Nc2ccc(F)c(C)c2)c1 71326115 LKIMCKBSDCKSNR-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CC[C@H](NC(=O)N[C@H](C)Cc1ccsc1)c1nc(C)cs1 71856655 BXGRULKQFIGNLN-MFKMUULPSA-N 323.487 3.895 0 40 DHAB COCCn1ccc2c(NC(=O)c3ccccc3OC)cccc21 72405616 CCJQMTJWGYKULW-UHFFFAOYSA-N 324.380 3.549 0 40 DHAB CC1CCC(N(Cc2nnc(C(C)C)o2)C[C@H]2CCCO2)CC1 75833969 PVRSNCAYVDGYDQ-UYSNPLJNSA-N 321.465 3.753 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C(N)=O)cc2)o1 76120596 WJDJWQUPNWNYDY-GUYCJALGSA-N 312.413 3.660 0 40 DHAB CC[C@@H](C(=O)Nc1ccc2c3c(cccc13)CC2)N(CC)CC 84718767 TVIOEDGEZWCMPA-SFHVURJKSA-N 310.441 3.997 0 40 DHAB Cc1ccc(C(=O)c2ccc(CN3CCSCC3)cc2)cc1 85651223 IHGCJZZOIOYLLY-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB CCN(CC)[C@H](CNCc1cc[nH]c1)c1ccccc1Cl 86249470 VMWVFAPAQJFRJJ-QGZVFWFLSA-N 305.853 3.841 0 40 DHAB CC[C@@H](NCc1cc[nH]c1)[C@@H](O)c1ccc(C(F)(F)F)cc1 86254346 KWSDZVXVSHIWKR-CABCVRRESA-N 312.335 3.635 0 40 DHAB O=C(Nc1ccccc1-c1nc[nH]n1)c1cc2c(s1)CCCC2 89821225 OMJRZGNDFWIURS-UHFFFAOYSA-N 324.409 3.664 0 40 DHAB CC(C)Sc1ccccc1NCC(=O)NCc1ccco1 89891054 ZGVJXDYIODGTHK-UHFFFAOYSA-N 304.415 3.508 0 40 DHAB Cc1ncsc1CNc1cccc(OCCN2CCCC2)c1 95971944 QKCVZVMOOWLUTH-UHFFFAOYSA-N 317.458 3.538 0 40 DHAB C[C@@H](c1ccncc1)N(C)Cc1cnc(-c2ccccn2)s1 97113677 XBCICHWAMKGLKI-ZDUSSCGKSA-N 310.426 3.793 0 40 DHAB CC(C)OC[C@H](O)CN(C)Cc1ccc(-c2ccccc2)cc1 97287385 XAIWLTBHSBMGBQ-HXUWFJFHSA-N 313.441 3.571 0 40 DHAB Fc1ccc2ncnc(NCCc3cccc4cccnc34)c2c1 97497528 SFTOEVFKVWQQOF-UHFFFAOYSA-N 318.355 3.972 0 40 DHAB Cc1cc(NC(=O)c2ncoc2C)ccc1Oc1ccncc1 193697457 BKYMNYUSLRUFEK-UHFFFAOYSA-N 309.325 3.731 0 40 DHAB CCc1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 224981197 UAOOCMZQXUSZDP-UHFFFAOYSA-N 321.467 3.796 0 40 DHAB COc1cccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)c1 225100247 KDDWEIBXFCIUTG-IBGZPJMESA-N 322.360 3.923 0 40 DHAB CCN(CC)[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225147716 VOUBYLYKHNNFJH-SFHVURJKSA-N 313.397 3.816 0 40 DHAB O=C(CCc1ccccc1F)NCc1ccc(-c2ccco2)nc1 238921024 TWNOZMADFLQDSN-UHFFFAOYSA-N 324.355 3.730 0 40 DHAB C[C@@H]1CCCCN1CCC1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1 245339140 QTXNORNKKJSXIR-YSHGAJCASA-N 318.505 3.536 0 40 DHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)[C@H](C)Oc1ccccc1 253472901 QKKCRGQOTNFQMX-GJZGRUSLSA-N 323.392 3.948 0 40 DHAB CCOC(=O)Nc1ccc2c3c(c(=O)oc2c1)-c1ccccc1C3 255190561 XZRZGEUPYLYWNI-UHFFFAOYSA-N 321.332 3.933 0 40 DHAB COc1cccc(OC)c1-c1c(Cl)nnc2ccccc12 514251912 MTGCOLLDXASIIF-UHFFFAOYSA-N 300.745 3.967 0 40 DHAB COc1cc(Br)ccc1C(=O)OCc1ccccc1 748603061 JONNAPFLIQYNIW-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB Cc1ccc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2 2362801495 JBBVGOSPTUSDSF-UHFFFAOYSA-N 315.413 3.751 0 40 DHAB CCOC(=O)c1sc(NC(=O)c2ccc(C)s2)cc1C 3234368 SLHLEJHAEOTZLY-UHFFFAOYSA-N 309.412 3.855 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 3607920 VYQDWQOSDCHTGL-UHFFFAOYSA-N 317.772 3.950 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCC[C@H](C)C1 4011542 FMTHLQDBSCILBQ-MTHXSQLBSA-N 311.510 3.557 0 40 DHAB CSc1nnc(NC(=O)c2cccc3ccccc23)s1 4086646 ILMPUZLMSTWWOT-UHFFFAOYSA-N 301.396 3.666 0 40 DHAB CCCn1cnc2cc(NC(=O)COc3ccc(C)cc3)ccc21 4941529 DWPJVJJBKWFLJM-UHFFFAOYSA-N 323.396 3.772 0 40 DHAB Cc1ccc2[nH]c(=O)c(COC(=O)c3ccccc3C)cc2c1 5164644 WAGXDAOCBPQIMO-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB CCCC(=O)Nc1ccc(Br)cc1Br 5456574 MYWKZYCXRHRCNO-UHFFFAOYSA-N 321.012 3.950 0 40 DHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)n1cccn1 6200445 IZBXTDSIRKTMGN-UHFFFAOYSA-N 322.151 3.842 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)c(Cl)c1 8113512 GZLHQFUBZIHDRK-ZDUSSCGKSA-N 301.773 3.838 0 40 DHAB Cc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cccc23)cc1 8702051 FOQHFJRYTNGQCA-UHFFFAOYSA-N 309.760 3.772 0 40 DHAB CN(Cc1cccnc1)c1nc(C(F)(F)F)nc2ccccc12 9604807 NQQSHZBBTGEYQF-UHFFFAOYSA-N 318.302 3.680 0 40 DHAB Cc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1Cl 10508219 WZYYYCHHIPBBMG-UHFFFAOYSA-N 305.809 3.570 0 40 DHAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(F)cc1 10893704 IWQMHKKDOIXLSQ-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB C[C@@H](NC(=O)NCCc1ccccc1)c1ccc(Cl)cc1 12740217 CCCDBTFYNYKDBF-CYBMUJFWSA-N 302.805 3.943 0 40 DHAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3cccs3)cnc21 14184195 VRXJQGLTSJNFIQ-NSHDSACASA-N 314.414 3.565 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1c(C)cccc1C 17970300 JQMBFZRITBFMGT-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB CCCOc1ccc(O[C@H](CC)C(=O)Nc2cc(C)on2)cc1 21842121 PIDSBCVDBUYBEX-OAHLLOKOSA-N 318.373 3.568 0 40 DHAB O=C(CSCCOc1ccccc1)Nc1cccc(F)c1 22613787 LAIWPWJOVWXAOU-UHFFFAOYSA-N 305.374 3.576 0 40 DHAB CCc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)sc1C 25420091 QDOFSSPEUQCFDL-MRXNPFEDSA-N 316.470 3.652 0 40 DHAB C[C@@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccco1 25597958 UGRKTVCNRDMOHD-SNVBAGLBSA-N 312.291 3.588 0 40 DHAB CCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)s1 27794639 CYYZOHQAXKTHEN-GFCCVEGCSA-N 319.430 3.513 0 40 DHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccn(C2CCCC2)n1 28246795 QQFKILNSAXLVRO-UHFFFAOYSA-N 321.384 3.641 0 40 DHAB CNc1nnc(SCc2csc(-c3ccc(C)o3)n2)s1 32328871 MRUPMLAUZGJGLP-UHFFFAOYSA-N 324.456 3.897 0 40 DHAB CCn1cc(CN(C)C(=O)Nc2cccc3ccccc23)cn1 32611097 AAWQFWLZIBEBGJ-UHFFFAOYSA-N 308.385 3.720 0 40 DHAB CCN(C(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1C 32753821 SWAGNZJPHMLVGP-UHFFFAOYSA-N 319.408 3.907 0 40 DHAB CCOc1ccc(CN(CC)C(=O)[C@H]2CC=CCC2)cc1OC 39976001 DHSHIJJBFPCBID-INIZCTEOSA-N 317.429 3.799 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)CNc1cc(F)ccc1F 40007968 UXJLRFAWMGKMGS-LBPRGKRZSA-N 304.340 3.563 0 40 DHAB CCCc1nc(CN2CCN(c3cccc(C)c3)CC2)cs1 40050137 PWJZPWJYNKACNK-UHFFFAOYSA-N 315.486 3.726 0 40 DHAB CCCCCCOc1ccc(OS(=O)(=O)CCC)cc1 45929254 NUOXNGRTEHDXHK-UHFFFAOYSA-N 300.420 3.764 0 40 DHAB Clc1ccc(-c2nnc([C@H]3CCN(CC4CC4)C3)o2)cc1 49169458 PQOJYCMEZSRCNE-ZDUSSCGKSA-N 303.793 3.589 0 40 DHAB biogenic,in-vitro Cc1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1C 49335999 FXGQSZPFFZSKLT-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB O=C(Nc1cccc(CNCc2cccs2)c1)c1ccncc1 55171679 QHPUOQBAVAEBIC-UHFFFAOYSA-N 323.421 3.685 0 40 DHAB COC1CCN(C(=O)c2oc3c(C)ccc(C)c3c2C)CC1 56390439 HMHHSDCBGAMPEM-UHFFFAOYSA-N 301.386 3.609 0 40 DHAB S=c1[nH]ccn2nc(-c3ccc(Br)cc3)cc12 57352180 RQQAKRCAAWOLSH-UHFFFAOYSA-N 306.188 3.821 0 40 DHAB C[C@H](N[C@@H](C)c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C 58169741 FUQHGKVGEAGGGG-PMPSAXMXSA-N 308.425 3.704 0 40 DHAB Cc1noc([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)[nH]2)n1 65537956 DIFACXBJAISUJD-JTQLQIEISA-N 320.352 3.504 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)c1cnn(-c2ccccc2)c1 68260329 CSNPPUSAGWUSCU-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB Cc1ccccc1C(=O)N(Cc1cccnc1)Cc1ccco1 69350917 GGFAVFVYINWHKP-UHFFFAOYSA-N 306.365 3.826 0 40 DHAB CCOc1cc2c(cc1NCc1c(C)noc1C)O[C@@H](C)C2 71857522 HSQFTOOFRZXYNZ-JTQLQIEISA-N 302.374 3.626 0 40 DHAB Cc1ccc2oc(C(=O)NCC[C@@H](O)C(C)(C)C)c(C)c2c1 72243162 JBUWSSCPFVXPIX-OAHLLOKOSA-N 303.402 3.577 0 40 DHAB Clc1ccccc1C1(c2nnc(C3CC3)o2)CCOCC1 72273525 LLIHQYSOSJPNAV-UHFFFAOYSA-N 304.777 3.697 0 40 DHAB CCOc1cc(CNC(=O)c2ccc(Cl)cc2)ccc1OC 72331446 XFFYYSWIIRSYBF-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB c1ccc(-c2ccc(CNc3nnnn3-c3ccccc3)o2)cc1 75119510 XELUSMZTRYYKFN-UHFFFAOYSA-N 317.352 3.534 0 40 DHAB C[C@@](O)(CNC(=O)c1ccccc1-c1ccccc1)c1ccco1 81835263 QXUYHMRFDPEBRS-HXUWFJFHSA-N 321.376 3.584 0 40 DHAB Cc1ccc([C@H](C)NC(=O)NC(C)(C)c2nccs2)cc1F 88785847 YGZBCAMLQWCLOK-NSHDSACASA-N 321.421 3.886 0 40 DHAB CN(c1ccccc1NC(=O)Cc1cccnc1)C1CCCC1 89365583 KYGVSXDOEHFKCW-UHFFFAOYSA-N 309.413 3.642 0 40 DHAB C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(F)c1 89895101 IWRPQVUZQDEKRC-ZWNOBZJWSA-N 308.378 3.521 0 40 DHAB CCCOc1cc(F)ccc1NC(=O)CSc1ccncc1 89960267 NXSPTEBUNGKLID-UHFFFAOYSA-N 320.389 3.740 0 40 DHAB Cc1cc(C)cc([C@H](N[C@@H](C)c2cnn(C)c2)c2cccnc2)c1 95422184 TZBXRSCTSFHMFZ-OXJNMPFZSA-N 320.440 3.872 0 40 DHAB O=C(Cc1ccccc1Cl)N[C@H](CCCO)c1ccccc1 95426695 FKXMGPQTFAJUBO-QGZVFWFLSA-N 317.816 3.513 0 40 DHAB C[S@@](=O)c1ccc(NCc2cccc3cccnc23)cc1F 95429304 ZISYPUBDAWMDSS-QFIPXVFZSA-N 314.385 3.723 0 40 DHAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1cccs1 96104053 LUAQTQJAZKNQPP-UHFFFAOYSA-N 315.442 3.867 0 40 DHAB COc1ccc(C)cc1NC(=O)CCn1ncc2ccc(C)cc21 96181004 AXGXVXFERLNDHH-UHFFFAOYSA-N 323.396 3.691 0 40 DHAB O=C(Cc1cccs1)NCc1cccc(Oc2ccccn2)c1 96382396 UBPHNMVBKDKVGY-UHFFFAOYSA-N 324.405 3.794 0 40 DHAB Cc1nc(C(=O)O[C@H](C)c2ccccn2)c(-c2ccccc2)o1 97376606 SMTFJVKDCGNOJW-GFCCVEGCSA-N 308.337 3.963 0 40 DHAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C1 100292232 GMKLHNRYWLFCTM-STQMWFEESA-N 309.287 3.551 0 40 DHAB CCCCN(CCCC)C(=O)/C=C/C(=O)Nc1ccccc1 147731467 FSHQDFFFMSEFPJ-OUKQBFOZSA-N 302.418 3.610 0 40 DHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 222858158 IHBOCHJAKMDBAL-KGLIPLIRSA-N 303.456 3.526 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 223857821 GHFWGPHHAQCNCS-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB COc1ccccc1O[C@H](Cc1cccc2ccccc12)C(=O)O 225048841 DGOSVBBJKQVVKS-LJQANCHMSA-N 322.360 3.923 0 40 DHAB COc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225102268 WLZKYAIEOUGWDA-SFHVURJKSA-N 314.381 3.893 0 40 DHAB Cc1cccc(NC(=O)c2snnc2-c2ccc(F)cc2)c1 225777774 JPELNJGIDUCOAC-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1ccc(NC(=O)c2cc(Cl)cc3c2O[C@H](C)C3)nc1 252509246 YHXAABRIBKBTAC-SNVBAGLBSA-N 302.761 3.619 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc3sc(C(=O)O)cc3c2)o1 539603237 DXODXYICWBHNEW-UHFFFAOYSA-N 315.350 3.682 0 40 DHAB CC(C)C(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@@H]2CCC[C@@H]12 1848354346 CPQIILLNKQCDCX-INDMIFKZSA-N 315.457 3.718 0 40 DHAB Fc1ccc2[nH]c3nc(SCc4ccccc4)nnc3c2c1 422470 LXRBYFLBHABFHZ-UHFFFAOYSA-N 310.357 3.938 0 40 DHAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(O)cc1 527490 RITVSMBRIJDLQT-AWEZNQCLSA-N 302.370 3.536 0 40 DHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1 1934128 GRCLNLOEJPTROL-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB COc1ccc(CN(C)C(=S)Nc2ccccc2C)cc1 3328131 YBFXQXXNTBYKMU-UHFFFAOYSA-N 300.427 3.832 0 40 DHAB CC[C@@H](C)NC(=O)CSc1cc(C)c2cccc(C)c2n1 3381804 CPUUQWBKGCGMQS-CYBMUJFWSA-N 302.443 3.858 0 40 DHAB Cc1ccc2c(CSc3nncs3)cc(=O)oc2c1C 3413174 OXBHREOPBPCUNF-UHFFFAOYSA-N 304.396 3.554 0 40 DHAB CCOCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 4510358 FPEXRYIJEXONAL-UHFFFAOYSA-N 319.430 3.624 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 5439803 WDKPPLKMEPQGLY-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1cccs1 7420884 SFCSDKYJSQITIB-NSHDSACASA-N 308.834 3.861 0 40 DHAB O=C(NCCc1ccccc1F)c1cccc(C(F)(F)F)c1 7538929 BAXFZUFYUDUNPO-UHFFFAOYSA-N 311.278 3.817 0 40 DHAB Cc1ccc(-n2nnnc2SC/C=C/c2ccccc2)cc1 7736253 WKDJPVKTAHLHBV-VMPITWQZSA-N 308.410 3.776 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSC(C)(C)C 8041230 VRHKNWPBYVKHBX-OAHLLOKOSA-N 309.475 3.800 0 40 DHAB O=C(NOCc1ccccc1)c1cc(C2CC2)nc2ccccc12 8096978 GRDOGACRZSNGAB-UHFFFAOYSA-N 318.376 3.974 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)C2CCCC2)cc1OCC 8294695 APVBEOCZRXBQTN-ZDUSSCGKSA-N 305.418 3.851 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 8745808 SHEJZAUIPSNJER-WPRPVWTQSA-N 323.418 3.564 0 40 DHAB C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc2c(c1)OCO2 10203829 JCPVSVLLMHREGQ-SNVBAGLBSA-N 316.382 3.628 0 40 DHAB CCCCc1nnc2sc(Cc3ccc(Cl)cc3)nn12 11278081 YAAVVFMOFBRLGY-UHFFFAOYSA-N 306.822 3.773 0 40 DHAB Cc1ccc(CNC(=O)N[C@H](C)CCc2ccc(O)cc2)cc1 12866201 SHUVPTADPUTKHN-OAHLLOKOSA-N 312.413 3.521 0 40 DHAB CC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc12 13479680 FJWMGEOEGQZUKG-OKILXGFUSA-N 312.413 3.633 0 40 DHAB CCOc1ccc2cc(CNc3ccc(F)cc3)c(=O)[nH]c2c1 13561315 HYIQQXVOPJQNEJ-UHFFFAOYSA-N 312.344 3.678 0 40 DHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCCCCC2)cc1 16870821 UXELKHCLSATUAD-CYBMUJFWSA-N 320.458 3.528 0 40 DHAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2cc(N)ccc2F)cc1 19736633 CIIDOMZFWAGHKH-LBPRGKRZSA-N 316.376 3.937 0 40 DHAB O=C1N[C@@H](c2ccc3c4c(cccc24)CC3)Nc2ccccc21 20244064 VTKSBEWQVOHRQK-IBGZPJMESA-N 300.361 3.793 0 40 DHAB CCCCCSc1nc(N)c2c3c(sc2n1)CN(C)CC3 20442782 QUOKQJMLCLBVCB-UHFFFAOYSA-N 322.503 3.544 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2ccc(C)c(Cl)c2)c1 20447821 HSXPAMNDJGCTKD-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB CN(C)CCNCc1ccccc1OCc1ccccc1Cl 22075023 HFSYJWZTIXDUBB-UHFFFAOYSA-N 318.848 3.570 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)c2cccs2)cc1OC 23435121 GJMRXQAARVTENY-GFCCVEGCSA-N 319.426 3.575 0 40 DHAB O=C(Nc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1F 25064602 QJQGAKHNUFVZBR-UHFFFAOYSA-N 319.767 3.727 0 40 DHAB O[C@H](c1ccccc1)C1CCN(c2ncnc3ccccc23)CC1 25454418 HJLSTUARVXVAPQ-LJQANCHMSA-N 319.408 3.580 0 40 DHAB CC(C)c1n[nH]c(S[C@H](C)c2nc(-c3cccs3)no2)n1 26036268 BQCIPUAXNMXOIJ-MRVPVSSYSA-N 321.431 3.893 0 40 DHAB Cc1c(C(=O)O[C@H](C)C(C)(C)CN(C)C)oc2ccccc12 26959671 YTBPQPCZBJLLQO-CYBMUJFWSA-N 303.402 3.874 0 40 DHAB CS[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 32484164 QBUZLVMVXNNFEW-VXGBXAGGSA-N 320.483 3.754 0 40 DHAB Cc1ccc(C(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 32818343 NZDKNAUVVSKDLS-KBPBESRZSA-N 315.335 3.615 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@@H]1C 44848773 LOYOFANNNWETAC-SCLBCKFNSA-N 313.372 3.961 0 40 DHAB CCOc1c(Cl)cccc1NC(=O)c1cnn(C(C)(C)C)c1 53347086 CAHJNBXAJROMKL-UHFFFAOYSA-N 321.808 3.943 0 40 DHAB Cc1nn(C)c2sc(C(=O)N3c4ccccc4C[C@H]3C)cc12 54562791 NXBKZVZXCFCYIU-SNVBAGLBSA-N 311.410 3.535 0 40 DHAB CN(Cc1ccc2ccccc2c1)C(=O)NCc1cccc(O)c1 57182001 UQPPKOAHENETDB-UHFFFAOYSA-N 320.392 3.887 0 40 DHAB Cc1ccc(F)cc1NC(=O)c1cc2c(cc1C)OCCCO2 65315039 VOFAFGRDJNAKTJ-UHFFFAOYSA-N 315.344 3.856 0 40 DHAB CC(C)CCN(C)[C@H](C)C(=O)Nc1ccccc1OC(F)F 65587553 GNRSVNMQZLFVKU-GFCCVEGCSA-N 314.376 3.593 0 40 DHAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)NC(C)C)C2(C)C)no1 67889854 GCEIOBPFFIPUKL-CJNGLKHVSA-N 321.465 3.682 0 40 DHAB biogenic,in-vitro CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2cccnc2)c1 71910811 PPHHIEIIJBQUNI-QGZVFWFLSA-N 310.401 3.517 0 40 DHAB CCN(C(=O)C1CCC1)c1ccc(NC(=O)C2CCC2)cc1 75140492 MWBATQIRXZJOEB-UHFFFAOYSA-N 300.402 3.578 0 40 DHAB CCc1noc([C@@H](C)SCc2cc(C(C)=O)ccc2OC)n1 76322500 CPMHROGPACYDCJ-LLVKDONJSA-N 320.414 3.838 0 40 DHAB CC(C)c1nc([C@@H](C)NC(=O)c2cnn(C(C)(C)C)c2)cs1 79310802 DIQLNFFAZWMQDB-LLVKDONJSA-N 320.462 3.709 0 40 DHAB Cc1cnc(C(C)(C)NC(=O)NCc2sccc2C)s1 80101804 XZQTVDXUOHQGDD-UHFFFAOYSA-N 309.460 3.556 0 40 DHAB CCOc1ccc(Cl)c(C(=O)N(CC(F)(F)F)C(C)C)n1 89991057 JFUYKRUDGMFPAE-UHFFFAOYSA-N 324.730 3.547 0 40 DHAB CC(C)[C@@H](NC(=O)[C@H]1CSc2ccccc21)c1ccncc1 95398501 DITYBNIWMMRVOK-DOTOQJQBSA-N 312.438 3.784 0 40 DHAB C[S@@](=O)Cc1cccc(NCc2cnc(C(C)(C)C)s2)c1 95429157 QYOYXIVNMDQWHF-NRFANRHFSA-N 322.499 3.931 0 40 DHAB CC[C@H](NCC1CCN(Cc2nc(C)c(C)o2)CC1)C(C)C 95967919 IJUKCVZXSYRRCW-KRWDZBQOSA-N 307.482 3.528 0 40 DHAB C[C@@H]1CCN(C(=O)[C@@H]2CC2(Cl)Cl)[C@H](c2ccco2)C1 96441242 ZRSZAQWZFHIODT-VWYCJHECSA-N 302.201 3.773 0 40 DHAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1C 96621731 LJMPJCHGFHHMOU-UHFFFAOYSA-N 311.381 3.646 0 40 DHAB COc1cccc2[nH]cc(CC(=O)Nc3c(C)cc(C)nc3C)c12 97049253 ZBVRGLHLQNYHES-UHFFFAOYSA-N 323.396 3.678 0 40 DHAB Cc1cccc(-n2c(S)nc3cc(Cl)ccc3c2=O)c1C 100456276 JEYOKZYQJOHZAA-UHFFFAOYSA-N 316.813 3.945 0 40 DHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103075268 ONTIKEHAUCIUQA-JXFSHQFZSA-N 307.821 3.660 0 40 DHAB O=C(NCc1csc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106062898 LCTBMZAWJAITRU-INTQDDNPSA-N 314.248 3.563 0 40 DHAB C[C@@H](NC(=O)N1CCc2sccc2C1)[C@H]1C[C@H]2CC[C@H]1C2 107489855 KYFDDXGFCCDMRN-UKTARXLSSA-N 304.459 3.641 0 40 DHAB Cc1cnc(COc2cc(Br)cc(F)c2F)o1 195446363 GSWMUDYGFGTSQX-UHFFFAOYSA-N 304.090 3.603 0 40 DHAB Cc1cc2cc(C(=O)N3CCC[C@H](Cc4ccn[nH]4)C3)ccc2o1 257227542 FPURDWNPEJGKMT-CQSZACIVSA-N 323.396 3.559 0 40 DHAB CSc1cccc(NC(=S)NC(=O)c2cccc(C)c2)c1 408596627 SHKCZIVDDPHCQP-UHFFFAOYSA-N 316.451 3.844 0 40 DHAB C[C@@H](CSCC1(CO)COC1)c1ccc(C(F)(F)F)cc1 554525794 FTQRMJZRWVTWBQ-NSHDSACASA-N 320.376 3.551 0 40 DHAB CC[C@@H](C(=O)NCc1nccnc1-c1ccoc1)c1ccccc1 575620542 OEAYIUZFYAGMDO-MRXNPFEDSA-N 321.380 3.547 0 40 DHAB FC1(F)[C@@H]2CCCO[C@@]21c1noc(-c2ccccc2Cl)n1 585120532 UBSHOIGGPREJQP-ZWNOBZJWSA-N 312.703 3.661 0 40 DHAB CC(C)(C)OC(=O)Cc1nc(Cl)nc2cc(Cl)ccc12 888084576 AGTWEGVUKDHVFR-UHFFFAOYSA-N 313.184 3.821 0 40 DHAB FC(F)(F)C1(c2ncc(Cl)cc2Br)N=N1 1504244764 GJTAJXHNNSAZKY-UHFFFAOYSA-N 300.465 3.678 0 40 DHAB Cc1ccc(-n2c(C(F)(F)F)nc3ccccc3c2=O)cc1 130236 CPHIPVWDLPJGNO-UHFFFAOYSA-N 304.271 3.713 0 40 DHAB Cc1cc(C)nc(S[C@H](C)C(=O)Nc2c(C)cccc2C)n1 411791 WGCDVVKBMZJFSU-CQSZACIVSA-N 315.442 3.830 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 1000676 GJTXHDUEOUMJOG-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB CC[C@@H](C)N(CC)CCNc1cc(OC)cc2cccnc12 1656137 REHJMUQQXLLGHV-CQSZACIVSA-N 301.434 3.776 0 40 DHAB Oc1cccc(-c2nc(S)c3c(n2)Oc2ccccc2C3)c1 2692355 VMANWEYOKMGRNY-UHFFFAOYSA-N 308.362 3.834 0 40 DHAB O=C(O)/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1 3121331 AOKFFGOKHVPVBT-CMDGGOBGSA-N 301.729 3.690 0 40 DHAB CC(C)(C)c1ccc(C(=S)NCCCn2ccnc2)cc1 3348977 JHPQKTXPBXNIHW-UHFFFAOYSA-N 301.459 3.536 0 40 DHAB Cc1ccc(NC(=O)CSc2ccccc2N)cc1Cl 4171196 CZUNLVRVRWNDFQ-UHFFFAOYSA-N 306.818 3.961 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(O)c1 5076845 ZXNFQUVMRKSHEI-LBPRGKRZSA-N 323.348 3.610 0 40 DHAB Cc1ccc(-c2nnc([C@@H](c3ccccc3)n3ccnc3)o2)cc1 5530132 VIIPWUUMTOEXTC-QGZVFWFLSA-N 316.364 3.879 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 5717111 QHAIQCNLUNYGIX-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCCCCC1 5816262 FXLRYHUHMILIGX-UHFFFAOYSA-N 322.257 3.948 0 40 DHAB CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](CC)C2 6122276 DPVQPASCOHKAPY-JTQLQIEISA-N 322.474 3.737 0 40 DHAB O=S(=O)(Nc1cccc(F)c1)c1ccc2c(c1)CCCC2 6315893 HUZXDTXVSXOMFF-UHFFFAOYSA-N 305.374 3.505 0 40 DHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2)cc1C 6635018 AYRWVDPDBFQUDC-LBPRGKRZSA-N 317.772 3.780 0 40 DHAB CCCCN1C(=O)S[C@H](Cc2ccc(SC)cc2)C1=O 6647745 OMHVBPLSYRWPGG-CYBMUJFWSA-N 309.456 3.815 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1cncn1-c1ccccc1 6657454 XTMVZDJKNAQAGP-GOSISDBHSA-N 317.392 3.680 0 40 DHAB Fc1ccc(NC(=S)NCCCOC2CCCCC2)cc1 7011002 PUGFQOUZLMHOLC-UHFFFAOYSA-N 310.438 3.852 0 40 DHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 7790379 ZSHCQCPXYQCGFX-LLVKDONJSA-N 305.374 3.954 0 40 DHAB Cc1cc(C)c(NS(=O)(=O)c2cc(F)ccc2F)c(C)c1 8104869 QUSQDVQJGIPBRG-UHFFFAOYSA-N 311.353 3.691 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(OC)c1 8492995 KDZQMMVHJXSKAJ-HNNXBMFYSA-N 303.333 3.630 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)NCC2(c3ccccc3)CCC2)c1C 8728794 VBAHZUPYSAIMBY-UHFFFAOYSA-N 324.424 3.686 0 40 DHAB C[C@@H](Sc1ccccc1)C(=O)NCCCN1CCCCCC1 10111105 VYSSMTQDDWBPLK-MRXNPFEDSA-N 320.502 3.550 0 40 DHAB O=C(NCCC1=CCCCC1)c1c[nH]nc1-c1ccc(F)cc1 12507543 FBABNGDSEZQRKS-UHFFFAOYSA-N 313.376 3.836 0 40 DHAB COc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1 13207931 OKBYFSXSUDAQFL-UHFFFAOYSA-N 306.365 3.596 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(F)cc2C)cc1OC 13937314 MAUKHYVCXYXFIC-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB COc1ccc(-c2cc(CN3CCc4ccccc4C3)on2)cc1 14067309 VWHILKNPCLYNFO-UHFFFAOYSA-N 320.392 3.909 0 40 DHAB CCCN1CN(Cc2ccccc2)Cn2c1nc1ccccc12 14608198 ZKCJSDIPZBNSJD-UHFFFAOYSA-N 306.413 3.684 0 40 DHAB Cc1ccc(CN(C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)o1 15296531 JMEXYGMTQYOCIP-MRXNPFEDSA-N 314.429 3.514 0 40 DHAB Cc1cc(O[C@H](C)C(=O)NCCc2ccccc2)ccc1Cl 15360994 CBUUGMSPIDGBHN-CQSZACIVSA-N 317.816 3.775 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1N1CCCC1=O 15614671 HZLQPFAUNHQSQC-FMIVXFBMSA-N 324.355 3.604 0 40 DHAB CCc1ccc(NC(=O)Nc2ccsc2C(=O)OC)cc1 15934329 PISFGKBDZWQQFD-UHFFFAOYSA-N 304.371 3.741 0 40 DHAB CN(C)C(=O)Sc1ccc(NC(=O)c2ccccc2)cc1 18194538 GGHPWOYFGXMAJO-UHFFFAOYSA-N 300.383 3.713 0 40 DHAB Nc1cc(Br)ccc1N1CCc2ccccc2C1 19510180 CKXADHMXUGFFCQ-UHFFFAOYSA-N 303.203 3.594 0 40 DHAB O=C1OC(c2ccccc2)=N/C1=C\c1c(O)ccc2ccccc12 22001497 ROBNYAKIJZGSBC-ATVHPVEESA-N 315.328 3.890 0 40 DHAB CC[C@@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1 22380913 ITZQTUHSNSZSCW-OAHLLOKOSA-N 303.793 3.686 0 40 DHAB Cc1cccc(OCCNC(=O)[C@H](C)Sc2ccccc2)c1 22500231 ZRUWHNBEVXOPLU-HNNXBMFYSA-N 315.438 3.671 0 40 DHAB Cc1ccccc1CNC(=O)CSCc1ccc(F)cc1 22517926 ZCZSKEBKMRJMOR-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB Cc1ccccc1C(=O)NCC1CCN(Cc2ccccc2)CC1 23127984 UFAIMQQWQNTHSV-UHFFFAOYSA-N 322.452 3.637 0 40 DHAB Clc1snnc1CSc1nccn1-c1ccccc1 25966161 ALJIBGNTLHNVJV-UHFFFAOYSA-N 308.819 3.670 0 40 DHAB CCCNc1nc(Nc2cc(C)ccc2C)c2cnn(C)c2n1 27666410 YUYFAVWBPHVFIR-UHFFFAOYSA-N 310.405 3.546 0 40 DHAB O=C(CCc1ccccc1)N[C@H](CN1CCCC1)c1ccccc1 29177340 ZQQUWHWNASOVKL-HXUWFJFHSA-N 322.452 3.573 0 40 DHAB CCC1(CC)NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 32859567 JZSPXUHNBFLJNH-UHFFFAOYSA-N 315.200 3.604 0 40 DHAB O=C(NC1CC1)c1cc2occc2n1Cc1ccc(Cl)cc1 36358121 UFBDZQFSXGEDRR-UHFFFAOYSA-N 314.772 3.828 0 40 DHAB CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1cccc(Cl)c1 39985856 FYBLVRSLZPRTJS-KRWDZBQOSA-N 316.832 3.601 0 40 DHAB Cc1ccsc1C(=O)Nc1ccccc1C(=O)N1CCCC1 39995444 MQTFKERUCFIRIH-UHFFFAOYSA-N 314.410 3.545 0 40 DHAB Cc1ccc(C)c(CC(=O)NCc2ccc(OC(C)C)cc2)c1 44847035 QXRVEZOILUIUHE-UHFFFAOYSA-N 311.425 3.950 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(C)nc1 46871783 JJWNZRVNDQHWMD-OAHLLOKOSA-N 315.442 3.671 0 40 DHAB CCC(CC)(CC(=O)Nc1cccc(OC(F)F)c1)C(=O)O 48383475 XUIKLOLCOAWNDU-UHFFFAOYSA-N 315.316 3.508 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)c1occc1-c1ccccc1 49574655 RLZQCDDTQYDLEM-UHFFFAOYSA-N 317.348 3.753 0 40 DHAB O=C(NCCCNc1ccccc1)Nc1cccc(Cl)c1 58244819 OZIGWOYUGCNVOX-UHFFFAOYSA-N 303.793 3.964 0 40 DHAB CCCOCc1ccccc1CNc1cc(Cl)nc(C)n1 60372296 AOJINDRIDLFEBU-UHFFFAOYSA-N 305.809 3.977 0 40 DHAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCC3)c12 60490492 BWCFFWLOODYTBR-UHFFFAOYSA-N 313.401 3.535 0 40 DHAB O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1ccco1 71195731 WDENAQXBPWOZML-INIZCTEOSA-N 319.364 3.544 0 40 DHAB CCOc1ccc(S(=O)(=O)NCC(C)C)cc1[C@@H](C)CC 72414544 IRKKZCBISHKFIH-ZDUSSCGKSA-N 313.463 3.533 0 40 DHAB Fc1ccc2c(NCc3ccc(-n4ccnc4)nc3)ccnc2c1 75611365 QNHSHFMDGRQZSK-UHFFFAOYSA-N 319.343 3.567 0 40 DHAB CS[C@H]1CCC[C@H](NC(=O)CNc2ccccc2Cl)C1 76016959 WBUDKMAMECZSHU-RYUDHWBXSA-N 312.866 3.542 0 40 DHAB CN(C)C(=O)c1csc(-c2csc(-c3ccoc3)n2)c1 78552229 FNQSHLNHUWWNQZ-UHFFFAOYSA-N 304.396 3.833 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 80344719 MALKJZNCFVSTNE-JKSUJKDBSA-N 323.392 3.817 0 40 DHAB Oc1cccc(CNCc2csc(CCc3ccccc3)n2)c1 83476629 RYOKFHHWKRGZFC-UHFFFAOYSA-N 324.449 3.924 0 40 DHAB O=C(c1cc(C2CC2)on1)N1CCCCC[C@@H]1c1ccco1 89794505 SYOYNXMEOSKQAS-CQSZACIVSA-N 300.358 3.903 0 40 DHAB CC(C)OCc1cccc(NC(=O)NCC(C)(C)CCCO)c1 95459130 UNNLNCUTWCMWLU-UHFFFAOYSA-N 322.449 3.532 0 40 DHAB CC(C)n1cc([C@@H](C)NCCc2cccc3cccnc23)cn1 96476558 KUVZDDSMBYYDRT-OAHLLOKOSA-N 308.429 3.906 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@]2(CO2)c2cc(Cl)ccc2C1 96510470 JONIRCORZDXQEX-INIZCTEOSA-N 309.793 3.706 0 40 DHAB O=C(O)[C@H]1CC[C@H](C(=O)c2ccccc2C(F)(F)F)CC1 100590174 ASWJFVBNTORNNT-AOOOYVTPSA-N 300.276 3.779 0 40 DHAB CC1(C)O[C@@]2(C)CC[C@H]1[C@@H]1[C@@H]2N1C(=O)Nc1cccc(Cl)c1 101152106 MZELXWCWVZYPER-GWRPWJGUSA-N 320.820 3.902 0 40 DHAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(Cl)cc1 165016991 DXLNRKKWYAZVGE-UHFFFAOYSA-N 313.740 3.990 0 40 DHAB O=C(O)c1ccc(Cl)c(NC(=S)NCc2ccccc2)c1 216927911 XLOPYDHROXLFDP-UHFFFAOYSA-N 320.801 3.525 0 40 DHAB C[C@@H](NC(=O)c1ccc2c(c1)nc(Cl)n2C)c1ccccc1 222543064 UIHQNQJUCSBDRZ-LLVKDONJSA-N 313.788 3.718 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NC(C)(C)Cc1ccccc1 222788046 WSERVUAYTBVNPW-GOSISDBHSA-N 311.425 3.982 0 40 DHAB CC[C@@H](C(=O)OC)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223200733 WNLXXISROXROMF-WFASDCNBSA-N 305.418 3.739 0 40 DHAB CCOc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)cc1 225431634 WWGKMQUMLUQFIH-UHFFFAOYSA-N 313.401 3.549 0 40 DHAB O=Cc1cn(Cc2nnc(-c3ccccc3)o2)c2ccccc12 408602058 ABMQSEQTSIWMEH-UHFFFAOYSA-N 303.321 3.552 0 40 DHAB Cc1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cs1 1533951455 DXESONGZEKHTQT-UHFFFAOYSA-N 323.421 3.983 0 40 DHAB O=C1NC(=O)/C(=C\c2ccccc2OCc2ccccc2)S1 975266 CAHCXHIKGCIUCO-XNTDXEJSSA-N 311.362 3.590 0 40 DHAB CC(C)(C)CC(=O)Nc1cc(Cl)ccc1N1CCOCC1 3426947 RQKFPJFAAYOBPL-UHFFFAOYSA-N 310.825 3.551 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1C 3443452 QYASKLOFDHLIAJ-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB CC1(C)CCCC2=C1C[C@@H]1C(=O)N(c3ccccc3)NC(=O)[C@H]1C2 4675063 CTYPHZKNPXLIOK-HOTGVXAUSA-N 324.424 3.597 0 40 DHAB CC[C@@H](C(=O)Nc1c(C(N)=O)oc2ccccc12)c1ccccc1 4852000 XBJCOCKYOOSSCJ-CYBMUJFWSA-N 322.364 3.664 0 40 DHAB CC(C)[C@H](NC(=O)c1cccc(F)c1)c1nc2ccccc2[nH]1 5261939 IPPXORMFQWPFPQ-INIZCTEOSA-N 311.360 3.829 0 40 DHAB CC(C)C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5380736 WYQUJLDVMSYASM-LLVKDONJSA-N 319.188 3.614 0 40 DHAB CN(C(=S)Nc1ccccc1)c1cc(N2CCCC2)ccn1 5599797 BOXHITRBBNABNK-UHFFFAOYSA-N 312.442 3.515 0 40 DHAB COc1cc(OC)c(NC(=O)Cc2ccccc2F)cc1Cl 5617141 IPHLQMIQABHSPF-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 6763946 UOOMWHUDSFEZAL-SECBINFHSA-N 308.230 3.557 0 40 DHAB CCc1cccc2c(-c3csc(NCCOC)n3)c[nH]c12 6946081 DBCHIJGLXLMNRL-UHFFFAOYSA-N 301.415 3.912 0 40 DHAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@@H]1CC1(Cl)Cl 7804543 ZRDYCVRKCKZQNN-UYIBLKNYSA-N 302.245 3.513 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 8157246 AGCOAHGGNWGKBU-INIZCTEOSA-N 313.401 3.547 0 40 DHAB CCOc1ccccc1C(=O)Nc1nonc1-c1ccc(C)cc1 8915643 ROVWBPAEHNBVJW-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB Cc1[nH]c(=S)sc1CC(=O)N[C@@H](C)CCc1ccccc1 9363886 XOLRALSSFURDLY-NSHDSACASA-N 320.483 3.794 0 40 DHAB CCCSc1nc2ccccc2c2nc(-c3ccncc3)nn12 9420933 FQLANFZZMFFJIB-UHFFFAOYSA-N 321.409 3.842 0 40 DHAB O=C(/C=C/c1cccs1)N1CCc2[nH]c3ccccc3c2C1 9899928 ABTANHDHNBRWDZ-BQYQJAHWSA-N 308.406 3.828 0 40 DHAB biogenic O=C(Nc1ccc(F)cc1)c1c[nH]c(=S)n1-c1ccccc1 11594533 CNWZMDHVFKKBJG-UHFFFAOYSA-N 313.357 3.926 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1/C=C/C1=CCN(C)CC1 12143034 YMOJNDNHENSGAV-MDZDMXLPSA-N 307.441 3.823 0 40 DHAB CCc1[nH]c2ccc(C(=O)NCCC[C@@H]3CCOC3)cc2c1C 12204047 KZVRCPWURUZFCK-CQSZACIVSA-N 314.429 3.585 0 40 DHAB C=COCCCNc1ncc(-c2ccco2)c(-c2ccco2)n1 12253449 ZVRINNPOXDKREF-UHFFFAOYSA-N 311.341 3.959 0 40 DHAB Cc1cccc(CSCc2nc3ccsc3c(=O)[nH]2)c1 12576837 DBNRQOIBBIPXFI-UHFFFAOYSA-N 302.424 3.726 0 40 DHAB CC(=O)Nc1ccc(CN2c3ccccc3N3CCC[C@H]32)cc1 13117012 FVJOEHDQZKIHQS-LJQANCHMSA-N 307.397 3.592 0 40 DHAB Cc1cc(C)c(NC(=O)CC2(C(=O)O)CCCC2)c(Cl)c1 13467031 DNKFRKVXMZRAGL-UHFFFAOYSA-N 309.793 3.930 0 40 DHAB COc1ccccc1NC(=S)NCc1cccc(Cl)c1 13577441 NLSOOWHOTKXHLB-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccccc1Cl 13596443 JRAQDIJVAZWBOR-GFCCVEGCSA-N 321.829 3.621 0 40 DHAB CC(C)Cn1nccc1NC(=O)c1cccc(Br)c1 14139839 IQYFFGWEAQLLFV-UHFFFAOYSA-N 322.206 3.554 0 40 DHAB Cc1ccc(NC(=O)COc2cccc3ccc(C)nc23)cc1 14358692 PABXJXMUFKTJSA-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB Cc1ccc(Nc2nnc(Cc3ccccc3)c(O)n2)cc1C 16806880 STMFZSXZFPUWBQ-UHFFFAOYSA-N 306.369 3.528 0 40 DHAB CC(C)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17113027 VNGPPQDNLRLVAR-UHFFFAOYSA-N 322.408 3.874 0 40 DHAB Cn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cccc(F)c21 17149375 AIGDRYZFBWOQFY-FVZMSGPBSA-N 312.369 3.520 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C 18109323 PTDPADUGRFJAEV-CQSZACIVSA-N 311.381 3.566 0 40 DHAB Cc1nn(C)cc1CN1CCC[C@H](c2cc3ccccc3cn2)C1 19583826 DJSIWXHDFNKWOY-SFHVURJKSA-N 320.440 3.656 0 40 DHAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1cccnc1 21790157 HBSNPLKWYBQDBV-UHFFFAOYSA-N 319.389 3.568 0 40 DHAB CCCCc1ccc(NC(=O)c2cc(=O)c(OCC)co2)cc1 23136923 CNEQLWSCMIVIHY-UHFFFAOYSA-N 315.369 3.633 0 40 DHAB C[C@H](NC(=O)C1CCOCC1)c1cc(F)c(Cl)cc1Cl 23272128 BUSBVYCIKMNNSE-QMMMGPOBSA-N 320.191 3.736 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 24050582 MOZBGDPFRIZRLX-ZDUSSCGKSA-N 311.410 3.767 0 40 DHAB O=C(Nc1ccccc1O)c1cccnc1Oc1ccccc1 24926339 UPHGORZXFQRXPF-UHFFFAOYSA-N 306.321 3.832 0 40 DHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(Cl)cn1 24934440 PIFWFMNBERVUBX-UHFFFAOYSA-N 319.773 3.633 0 40 DHAB COc1ccccc1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 25238392 PQBDELZQYBDSAY-QWRGUYRKSA-N 316.323 3.938 0 40 DHAB CCCCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 25346120 QFTIQHNYYZGRTG-RYUDHWBXSA-N 320.458 3.818 0 40 DHAB COc1cc(C=O)ccc1OCc1ncc(-c2ccccc2)o1 28126781 LXTREQANLNCKPB-UHFFFAOYSA-N 309.321 3.742 0 40 DHAB CCC[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 33028943 IHXACGYPPGLOPZ-WOJBJXKFSA-N 324.468 3.989 0 40 DHAB Cc1ccc(CN(C)C(=O)CCCc2nc3ccccc3[nH]2)cc1 36396220 HAFAFDFIHNHRPN-UHFFFAOYSA-N 321.424 3.853 0 40 DHAB O=C(c1cc(Br)c[nH]1)N1CCC[C@H]1c1ccccc1 37497499 OOMKQURILNXYCH-AWEZNQCLSA-N 319.202 3.755 0 40 DHAB C[C@@H]1C[C@@H](OC[C@H](O)CN(C)C2CCCCC2)CC(C)(C)C1 37530291 SVDPJYRFEFQLLO-KBAYOESNSA-N 311.510 3.843 0 40 DHAB CCOCCCCNC(=O)Nc1cccc(Cl)c1Cl 47335256 AUTQFYALLVCCSL-UHFFFAOYSA-N 305.205 3.932 0 40 DHAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccsc1 48345701 XALCCZKEAXXACW-UHFFFAOYSA-N 315.316 3.619 0 40 DHAB COc1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1 49168845 QYRRGIQSGBJWFB-HNNXBMFYSA-N 308.381 3.826 0 40 DHAB biogenic,in-vitro Cc1cc(NC(=O)Nc2cccc(OCc3cccnc3)c2)no1 57991254 ZOEMPDGZDNXSPI-UHFFFAOYSA-N 324.340 3.601 0 40 DHAB Cc1cc(C(=O)N(CCN(C)C)c2ccccc2)c(C)s1 58298071 ZHWFAMLZPHOFOH-UHFFFAOYSA-N 302.443 3.573 0 40 DHAB [O-][n+]1ccccc1SCc1ccccc1Oc1cccnc1 63436549 AAKDAAPHCKKXBS-UHFFFAOYSA-N 310.378 3.800 0 40 DHAB CCCNC(=O)[C@H](C)SCc1ccc(Br)cc1 65553430 OOOUMUABKFSLKO-JTQLQIEISA-N 316.264 3.597 0 40 DHAB Cc1nnc(SC[C@H]2CCCCO2)n1CCc1cccs1 67757909 ZZJBLCAQWWDQBJ-CYBMUJFWSA-N 323.487 3.552 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@]2(C)CC2(Cl)Cl)s1 71883165 QEELLKWSCAVASG-QPUJVOFHSA-N 321.273 3.863 0 40 DHAB CC(C)c1nnc(CN2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)o1 71893637 RDLASEBARFDUEJ-KEYYUXOJSA-N 315.417 3.544 0 40 DHAB CCC(C)(C)NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 79011845 INMZHBRSIGGSCL-UHFFFAOYSA-N 321.421 3.613 0 40 DHAB CC(C)[C@H](N)C(=O)N(Cc1cc(Cl)ccc1Cl)C(C)C 79420399 ZXZFTCLYQXPIKU-AWEZNQCLSA-N 317.260 3.714 0 40 DHAB Cc1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 82336935 GKJHZNFASXUEFC-UHFFFAOYSA-N 315.682 3.710 0 40 DHAB COC(=O)c1csc(NC(=O)N(C)[C@@H](C)c2cccs2)c1 89910136 LCMYDPXBCXYJAA-VIFPVBQESA-N 324.427 3.821 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](OC(F)(F)C(F)(F)F)C1 91252504 OQJXYYJGNCOMGF-MRVPVSSYSA-N 319.270 3.558 0 40 DHAB O=C(NCC1(Sc2ccccc2)CCOCC1)C1CCCC1 96118997 YIGRMCYKMXZSCL-UHFFFAOYSA-N 319.470 3.634 0 40 DHAB OCc1ccccc1CNCc1ccc(Cl)c2cccnc12 96473022 SCTYDBRTNUIRNQ-UHFFFAOYSA-N 312.800 3.670 0 40 DHAB CS[C@H]1CC[C@H](NC2CCN(Cc3ccccc3)CC2)C1 96478663 HQJSCWFTKZSBSR-ROUUACIJSA-N 304.503 3.525 0 40 DHAB COc1cccc([C@H](C)N(Cc2ccncc2)c2cnn(C)c2)c1 97020561 YZPCMEAFHIMCDS-HNNXBMFYSA-N 322.412 3.592 0 40 DHAB COc1ccc(-c2nnc([C@@H](C)N3CCC[C@H](C)C3)o2)cc1 108976468 KNYRMWUXLFGZMI-QWHCGFSZSA-N 301.390 3.538 0 40 DHAB CSCc1ccccc1NC(=O)NCC1(SC)CCC1 193967422 WVLGYWQRDNHODO-UHFFFAOYSA-N 310.488 3.957 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 216256626 KXACRYAAIBLLHZ-GJZGRUSLSA-N 309.409 3.994 0 40 DHAB COC(=O)c1ccc(-c2nc3cc(OC)cc(Cl)c3[nH]2)cc1 216920315 BBCWDCZNYVOPLY-UHFFFAOYSA-N 316.744 3.679 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2cccc(C)c2C)cc1 223926574 TVBRKCWRRDOJSV-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccccc1 224151061 HDCDOZKLJKJJNR-DLBZAZTESA-N 321.405 3.852 0 40 DHAB CCOC(=O)c1ccc(N[C@@H](C)CCc2ccccc2)c(N)c1 225448668 VZHSIOCLSOTKQJ-AWEZNQCLSA-N 312.413 3.879 0 40 DHAB CC[C@H](NC(=S)Nc1ncccc1OC)c1ccccc1 225482778 NPJQWAYHZLUOIL-ZDUSSCGKSA-N 301.415 3.528 0 40 DHAB O=C(Nc1ccccc1F)c1snnc1-c1cccs1 225788018 GNPZAWUAARISME-UHFFFAOYSA-N 305.359 3.658 0 40 DHAB CC(C)c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 226358631 DEQYUZMXSGLDJV-UHFFFAOYSA-N 313.353 3.526 0 40 DHAB C[C@H](c1cccc2ccccc12)N(C)C(=O)C1CCC(O)CC1 252494482 NXBZEIFMWJMDJI-ODIFPOPNSA-N 311.425 3.910 0 40 DHAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCC[C@@]31C2 257296011 RAVHOPMXZQXHGA-RKVZRBGQSA-N 307.478 3.769 0 40 DHAB CC(C)N1CCC[C@H](c2nccnc2-c2cnn(C(C)C)c2)C1 257333880 YDMRWYPDLRTTQK-HNNXBMFYSA-N 313.449 3.509 0 40 DHAB Cc1cccc(-c2nc(CO[C@H]3CCCC[C@H]3C)no2)c1O 333111033 XOOQNRKCQDLWGW-RISCZKNCSA-N 302.374 3.846 0 40 DHAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1O 409109678 JFNXYJZDVBDKEL-PTNGSMBKSA-N 309.365 3.698 0 40 DHAB O=C(Nc1cccc(CSC2CCCC2)c1)c1cncnc1 546896793 PPMFSXFQGMGDEP-UHFFFAOYSA-N 313.426 3.905 0 40 DHAB C[C@H](NCc1ccc2c(n1)CCC2)c1cccc(-n2cccn2)c1 581988829 SEFGVKPODVXFCL-HNNXBMFYSA-N 318.424 3.607 0 40 DHAB O[C@@H]1[C@@H](NC2CCCCC2)CCC[C@H]1Oc1ccc(Cl)cc1 585289191 NQOVALZGGHKWJW-RCCFBDPRSA-N 323.864 3.923 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H](CF)C1 1333557893 VRYWUDUJKMRSCB-ZDUSSCGKSA-N 318.417 3.940 0 40 DHAB CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)o1 115581 PHKHHVJRFPMLMR-UHFFFAOYSA-N 307.777 3.994 0 40 DHAB Cc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1 340675 KFTIFERYJUDUNI-UHFFFAOYSA-N 303.369 3.736 0 40 DHAB COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3CC[C@@H]12 404260 BSKWXDWRTACMCC-NZSAHSFTSA-N 302.414 3.879 0 40 DHAB CCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 530511 FOPSPFYYHOSVTB-OAHLLOKOSA-N 319.408 3.885 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1cccc2ncccc12 556392 FBGVELKOIMVNRL-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB O=C(CCc1ccccc1)NCc1ccc(-n2cccc2)cc1 1426647 SWWJBRBZXFURDF-UHFFFAOYSA-N 304.393 3.726 0 40 DHAB Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(C)c1 2966154 KUSUFICDGNHDNE-OAQYLSRUSA-N 321.444 3.564 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)c1ccccc1 3240223 BTFLAHXYWOQJOF-DHZHZOJOSA-N 300.741 3.779 0 40 DHAB CCCCCC[C@H]1NC[C@@H](C(=O)O)c2c1[nH]c1ccccc21 5418370 OSWZLRKYNFSNQM-UKRRQHHQSA-N 300.402 3.951 0 40 DHAB Cc1cnc(C(=O)Nc2ccccc2Cc2ccccc2)cn1 7344867 ZNBCSACUCPPVRB-UHFFFAOYSA-N 303.365 3.628 0 40 DHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCCCCC1 7378078 JXGUJQUKWXPMIE-LBPRGKRZSA-N 310.825 3.552 0 40 DHAB N=c1oc2cc(O)ccc2cc1C(=O)Nc1ccccc1Cl 8575363 ICJOYNVGGQILDQ-UHFFFAOYSA-N 314.728 3.524 0 40 DHAB CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 9453974 JLHGZHLCEMSQKG-UHFFFAOYSA-N 315.344 3.824 0 40 DHAB Cc1cc(C)cc(-n2ncc3c(N4CCC[C@H](C)C4)ncnc32)c1 9627412 NZUXOOCZCZKXSR-ZDUSSCGKSA-N 321.428 3.669 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1F 9950871 QLXMMFHDTMOPBW-UHFFFAOYSA-N 316.763 3.933 0 40 DHAB Cc1nc(-c2ccccc2)ccc1C(=O)NOCc1ccccc1 10319364 POUZBLRKSJDROP-UHFFFAOYSA-N 318.376 3.919 0 40 DHAB Cc1cc(S[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)ncn1 12016782 SZQQQWAFTYYUFZ-LLVKDONJSA-N 321.833 3.866 0 40 DHAB COc1ccc(CNC(=O)CCc2ccc(C)c(Cl)c2)cc1 12607340 XXOAKVKUAZAZJO-UHFFFAOYSA-N 317.816 3.906 0 40 DHAB Cc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CCS2 13072735 LJLSUWZNTJJVFJ-UHFFFAOYSA-N 312.394 3.682 0 40 DHAB O=c1cc(C(F)(F)F)nc(SC/C=C/c2ccccc2)[nH]1 13115372 SBMCBRKGJURNFX-QPJJXVBHSA-N 312.316 3.594 0 40 DHAB CCc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(N)nn32)cc1 13132137 LZSJKABBTONJNC-DLBZAZTESA-N 319.412 3.569 0 40 DHAB COc1c(F)c(F)c(C(=O)Nc2ccccc2C)c(F)c1F 14258123 MDZLQNASBNDQSG-UHFFFAOYSA-N 313.250 3.812 0 40 DHAB Cc1cnc(NC(=O)Cc2nc(-c3ccccc3)oc2C)s1 14899219 WMLCHGFHZLUPIS-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB COc1ccc2nccc(/C=C\CC3CCN(C(C)=O)CC3)c2c1 16980345 DYMIQUNBIDKGRA-HYXAFXHYSA-N 324.424 3.905 0 40 DHAB COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)cc1 19927611 YUPYSKJNNWAEPR-IINYFYTJSA-N 320.439 3.627 0 40 DHAB Cc1cccc(N(Cc2ccccc2)C(=O)c2cnccn2)c1 23042012 AMWCGERRRUMVOD-UHFFFAOYSA-N 303.365 3.632 0 40 DHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc[nH]c1=S 24861311 FNPCVVSJXDFZMM-UHFFFAOYSA-N 313.426 3.905 0 40 DHAB CCCC[C@H](CC)C(=O)Nc1cccc(N2CCOC2=O)c1 24985371 HRMYYAOXXZQWLG-ZDUSSCGKSA-N 304.390 3.798 0 40 DHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]1c1ccncc1 27276198 LVTYVHSTVQRKGA-LJQANCHMSA-N 317.392 3.850 0 40 DHAB CCn1cc(Cl)c(C(=O)N[C@H](C)c2ccc(C)cc2C)n1 28237464 KAEAKMFDTXYMIH-GFCCVEGCSA-N 305.809 3.664 0 40 DHAB C[C@H](NC(=O)Nc1ccccc1)c1ccc(-n2ccnc2)cc1 29617173 AXRSHRDNCWMYBG-AWEZNQCLSA-N 306.369 3.755 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1[C@H](C)CCC[C@H]1C 31864595 VGRDSRLAQFIYAV-VXGBXAGGSA-N 315.442 3.917 0 40 DHAB O=C(CCN1CCc2ccccc21)Nc1cccc(Cl)c1 40024983 OIQGTUGPEHUETA-UHFFFAOYSA-N 300.789 3.731 0 40 DHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 41091267 SQDSAKZVYWSXEM-UHFFFAOYSA-N 307.390 3.860 0 40 DHAB O=C(NCc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 45201424 SHQQXGDFQHRGJS-UHFFFAOYSA-N 319.360 3.541 0 40 DHAB Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)no1 58354627 WDEDKKZXFLPQTL-UHFFFAOYSA-N 303.705 3.544 0 40 DHAB CC(=O)Nc1cc(NC(=O)N(C)CC2CCCC2)ccc1Cl 58433799 DODWRSIECKDXOZ-UHFFFAOYSA-N 323.824 3.952 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1C 59351403 QYUVYUOIISYBPH-RZIFZGNASA-N 323.392 3.923 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1cccc(OC)c1 64893285 VSPJPUAWNBIDHX-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB CC(C)c1noc([C@H](C)Oc2ccc3c(c2)CCCC3=O)n1 69492395 AEDIEYYPJPYMEN-NSHDSACASA-N 300.358 3.852 0 40 DHAB CN(Cc1c(Cl)nc2sccn12)C(=O)C1(C)CCCC1 71889640 KWRYYABQLWBIHY-UHFFFAOYSA-N 311.838 3.588 0 40 DHAB COC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 72099912 UOAMTYUOGHOHIR-UHFFFAOYSA-N 324.735 3.853 0 40 DHAB CCOc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2occc12 72240133 WXICOQBEYFEUDZ-BETUJISGSA-N 301.386 3.950 0 40 DHAB CCOC(=O)Nc1cccc(NC(=O)N[C@H]2CCC[C@@H]2C)c1C 72274147 MOYUQQWPLMILIM-AAEUAGOBSA-N 319.405 3.874 0 40 DHAB CC(=O)N1CCC[C@H](c2cccc(Cc3cccc(C)c3)n2)C1 72357567 DAQBOHPHUWRBKI-SFHVURJKSA-N 308.425 3.707 0 40 DHAB NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 75138359 MWGMWCLCXFGFPQ-UHFFFAOYSA-N 315.226 3.522 0 40 DHAB O=C(NCc1ccc2ccccc2n1)c1ccnc2ccccc12 79019278 PMJGKCINEFUBBG-UHFFFAOYSA-N 313.360 3.713 0 40 DHAB O=C(c1ccccc1Oc1cccnc1)N1C[C@H]2CCC[C@H]2C1 84497893 NXOAGNMAFQOJMA-GASCZTMLSA-N 308.381 3.746 0 40 DHAB CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C(=O)OC)s1 84721675 FXHYPQJUDALXKX-NEPJUHHUSA-N 309.431 3.576 0 40 DHAB Cc1cccnc1CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 93171273 NSPPGCDOICFBQB-QGZVFWFLSA-N 320.795 3.756 0 40 DHAB Fc1cccc(-c2nc(CN3CCC[C@H]3c3ncc[nH]3)co2)c1 95459759 SEABHXFLSMAIJM-HNNXBMFYSA-N 312.348 3.541 0 40 DHAB CO[C@H](C)c1nc(Cn2ccc(-c3ccsc3)n2)cs1 95963272 TYSXDXNOTIJGJL-SNVBAGLBSA-N 305.428 3.824 0 40 DHAB CC1(C)CCN(S(=O)(=O)c2ccc(F)cc2)c2ccccc21 96100834 MPSIKSGPOXVQJD-UHFFFAOYSA-N 319.401 3.702 0 40 DHAB O=C(c1cc2ccccc2o1)N(C[C@@H]1CCCO1)c1ccncc1 114181019 QIOAQCMLEVXCAQ-INIZCTEOSA-N 322.364 3.654 0 40 DHAB CC[C@H](C)CCOC(=O)c1snnc1-c1ccc(OC)cc1 223837401 KTVZIJMKWIMZJX-NSHDSACASA-N 320.414 3.807 0 40 DHAB Cc1cccc(C[C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 257321690 WCTSSKJECYVJGF-OAHLLOKOSA-N 312.388 3.624 0 40 DHAB CO[C@@H]1C[C@@H]2C[C@@H](Nc3ccc(NC(C)=O)c(Cl)c3)C[C@@H]2C1 521395472 MKPIRFBXDZSDRA-AIXYUVMFSA-N 322.836 3.914 0 40 DHAB CC[C@@H](C(=O)Nc1nc(C(C)(C)C)co1)c1c(C)noc1C 565723694 CAYHWEDYHLDWMT-LLVKDONJSA-N 305.378 3.709 0 40 DHAB COc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 24337 VMRXNONNIMTJQP-UHFFFAOYSA-N 313.378 3.649 0 40 DHAB CCOc1ccc2sc(SCC(=O)NC(C)(C)C)nc2c1 208657 UYZJMQJAHKLVCA-UHFFFAOYSA-N 324.471 3.702 0 40 DHAB Cc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3[C@@H]1C[C@H]2C 377037 FWIJUQKNNLLVQY-ABAIWWIYSA-N 307.349 3.902 0 40 DHAB biogenic Cc1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1C 568782 VCVFXLNYZQJKGU-UHFFFAOYSA-N 313.441 3.623 0 40 DHAB CN(C)[C@@H]1CCC[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 1301879 KWBLUDBBNZTNOA-MOPGFXCFSA-N 323.436 3.844 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)CCc3ccccc3)c2c1 2331388 VAMNZXNDWBMUEU-UHFFFAOYSA-N 306.409 3.768 0 40 DHAB C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 3327948 QLHKKYNMTQXZDQ-LBPRGKRZSA-N 322.330 3.822 0 40 DHAB Cc1cc(C)c(NS(=O)(=O)c2cccs2)c(Cl)c1 3447354 YURKKAFSNVCNHM-UHFFFAOYSA-N 301.820 3.819 0 40 DHAB C[C@H]1C[C@H](NC(=O)C(=O)c2c[nH]c3ccccc23)CC(C)(C)C1 4163120 WZWPIRFFPJNBMH-STQMWFEESA-N 312.413 3.682 0 40 DHAB Cc1ccc(C)c(CSc2nc(=O)[nH]c3c2CCCC3)c1 4317110 QMMNIIQVSONZFB-UHFFFAOYSA-N 300.427 3.558 0 40 DHAB COc1ccc2ccccc2c1[S@@](=O)NCc1cccs1 4407610 JDAQFORFFLDKHA-NRFANRHFSA-N 317.435 3.722 0 40 DHAB COc1cccc(-c2nc3c(c(SC)n2)COC(C)(C)C3)c1 5246256 GESWYLFETQEAFA-UHFFFAOYSA-N 316.426 3.725 0 40 DHAB Cc1cccc(-c2nnc3sc(/C=C/c4ccco4)nn23)c1 5345901 YVNSCTSAAVKFAQ-BQYQJAHWSA-N 308.366 3.925 0 40 DHAB C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N1CCCC1 5662424 HYXVWFAQGNRRNG-NSHDSACASA-N 300.324 3.518 0 40 DHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C)c1 5954108 PGNMIEYFWDJISZ-LBPRGKRZSA-N 301.839 3.602 0 40 DHAB CC(C)c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 6050102 BCEWCQXIWFXXLR-UHFFFAOYSA-N 311.794 3.577 0 40 DHAB CCN(CC)CCNC(=S)Nc1ccc(Cl)cc1Cl 6462787 ODCZEBHZTBBNDL-UHFFFAOYSA-N 320.289 3.622 0 40 DHAB CCSc1nc2sc(CC)cc2c(=O)n1Cc1ccco1 7007543 MLWSMQHCBVRLKO-UHFFFAOYSA-N 320.439 3.774 0 40 DHAB Cc1cccc(OCCC(=O)Nc2cccc3ncccc23)c1 7787343 AWOVZMZWXQEWLB-UHFFFAOYSA-N 306.365 3.951 0 40 DHAB O=C(c1ccncc1)N1CCC(c2nc3ccccc3s2)CC1 8086309 AHIZLISWLIUCQF-UHFFFAOYSA-N 323.421 3.711 0 40 DHAB Cc1cc(C2=NN=C(N[C@H]3CCCC[C@@H]3C)SC2)c(C)n1C 8327602 GGQLAEFRGGZPEF-NHYWBVRUSA-N 318.490 3.617 0 40 DHAB OCc1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 9741044 LDVZLFSOTKVBEF-UHFFFAOYSA-N 319.286 3.885 0 40 DHAB Cc1cc2c(nc1C)sc1c(SCCN(C)C)ncnc12 12389810 SWSMSCXLQUMUME-UHFFFAOYSA-N 318.471 3.510 0 40 DHAB CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12486888 XNMOSXDRAVXOCH-UHFFFAOYSA-N 323.421 3.582 0 40 DHAB COC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 12601642 BGFZZKNPHAEANJ-UHFFFAOYSA-N 312.394 3.599 0 40 DHAB CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1 13838398 VTNNMVYLMVDTCG-VAMGGRTRSA-N 323.436 3.846 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCOc2ccccc21 14108604 MJVWTPWMBPIOLQ-SFHVURJKSA-N 320.392 3.741 0 40 DHAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1 15188329 MKGWJQNHGBRGPB-HNENSFHCSA-N 310.422 3.750 0 40 DHAB Fc1ccc(COc2cccc(CNC[C@@H]3CCCO3)c2)cc1 16399571 VMRITMKYJJENJI-IBGZPJMESA-N 315.388 3.673 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 17112887 MXMAXUHPFBFBNO-UHFFFAOYSA-N 308.381 3.731 0 40 DHAB CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 20064273 PLRXLSVMCUTUCU-HXUWFJFHSA-N 322.452 3.525 0 40 DHAB COc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20141649 BABVSPINMYAECV-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccc1 20456351 SDIQJAPWFPGPJG-QGZVFWFLSA-N 317.816 3.856 0 40 DHAB O=c1c(-c2nc(-c3ccccc3Cl)no2)c[nH]c2ccccc12 20732806 IWHKZJQFUHNIOW-UHFFFAOYSA-N 323.739 3.899 0 40 DHAB O=C(CCOc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 23114097 IYWKMYITHYPKQE-SFHVURJKSA-N 313.372 3.788 0 40 DHAB C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 23192159 HQXXYKZUNQURMY-LLVKDONJSA-N 303.793 3.745 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ncc(C)s1 27975874 LKZHLVJDPNUQKJ-OAHLLOKOSA-N 316.426 3.736 0 40 DHAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)C1CCC1 28574402 XDPYDFIIFBKTOA-UHFFFAOYSA-N 323.318 3.689 0 40 DHAB COc1ccc(-c2nc3ccc(Cl)cn3c2CN(C)C)cc1 31933211 GBXDMFBGTUZLNQ-UHFFFAOYSA-N 315.804 3.725 0 40 DHAB C1=Nn2c(nnc2-c2ccccc2)SC(c2ccccc2)=C1 35287215 ZJDZESDIUMDXNN-UHFFFAOYSA-N 304.378 3.926 0 40 DHAB COc1cccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1 40074770 UYWJAHZBHNDOID-UHFFFAOYSA-N 306.365 3.667 0 40 DHAB O=C(/C=C/c1ccco1)Nc1ccc(Oc2cnccn2)cc1 40529501 IYXXQLYPLNYQCZ-BQYQJAHWSA-N 307.309 3.514 0 40 DHAB O=C(c1ccc(C(F)(F)F)cc1)c1cccc(C2OCCO2)c1 43212574 ZOGNYISBTHYRRB-UHFFFAOYSA-N 322.282 3.982 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(=O)C2CC2)c1 44103343 UEDRZWHMLQNGIU-WBMJQRKESA-N 315.417 3.735 0 40 DHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccccc1 44884921 IXFPBHMSPBDNMN-LJQANCHMSA-N 311.425 3.820 0 40 DHAB O=C(Nc1nncs1)N1CCC[C@@H]1c1cccc(Cl)c1 47321175 HCSCGQVHBYVCKY-LLVKDONJSA-N 308.794 3.561 0 40 DHAB Cc1cccc(-c2ncc(C(=O)O)c(Nc3ccccc3)n2)c1 49469623 MYYJKXZEHOPVMD-UHFFFAOYSA-N 305.337 3.894 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Nc2cc(F)ccc2F)c1 51354417 REAVNEKGKOCDTH-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C)cc1Cl 58160611 VZRHZZJQPVOEMN-INIZCTEOSA-N 302.805 3.890 0 40 DHAB Cc1ccc(C)c(CS[C@H](C)C(=O)Nc2cc(C)on2)c1 58357716 GCKHSYHNYKODLO-CYBMUJFWSA-N 304.415 3.860 0 40 DHAB C(=C/c1ccccc1)\CN1CCN(CCc2cccs2)CC1 67458883 MWNYNQFMFUEBOU-XBXARRHUSA-N 312.482 3.622 0 40 DHAB O=c1[nH]c(CSc2ccc(O)cc2)nc2c1oc1ccccc12 69742322 GMALAZPTMHQQJA-UHFFFAOYSA-N 324.361 3.667 0 40 DHAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1)C1CC1 72215395 INBLUKWKLVJCOR-OAHLLOKOSA-N 317.433 3.800 0 40 DHAB Cc1cn[nH]c1C1(C)CCN(C(=O)c2ccc(Cl)cc2)CC1 72388932 VDIRWEZZAZMABK-UHFFFAOYSA-N 317.820 3.565 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1 72414230 VSILXCHFLKNLHZ-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB C[C@H](CNC(=O)N(C)[C@H](C)c1ccncc1)Cc1cccs1 76088243 BEEKKKVSADWIBL-UONOGXRCSA-N 317.458 3.724 0 40 DHAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCc2cscn2)cc1 76996366 DNHCLYRTCLDGSS-IRXDYDNUSA-N 314.454 3.729 0 40 DHAB CS(=O)(=O)Cc1nc(-c2ccc3ccccc3c2)cs1 78869094 OLAWSPJYEJKUBD-UHFFFAOYSA-N 303.408 3.508 0 40 DHAB CC(C)n1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc21 85877036 ZMTIXDJHOQJAHF-CQSZACIVSA-N 314.429 3.910 0 40 DHAB biogenic O=C(O)CCc1nc2cccc(Cl)c2n1Cc1ccccc1 95095684 NFILWNDYSOSGHL-UHFFFAOYSA-N 314.772 3.755 0 40 DHAB COc1cccc2c1CC[C@@H]2N[C@@H](C)c1cccc(NC(C)=O)c1 95419637 ASNMCXODCAGPAH-DJJJIMSYSA-N 324.424 3.992 0 40 DHAB C[C@@H](NC[C@]1(O)CCSC1)c1ccc(SC(F)F)cc1 95423579 NMHVTMVTORETAE-QMTHXVAHSA-N 319.442 3.520 0 40 DHAB C[C@@H](CSc1nncn1C1CC1)C(=O)c1ccc(F)c(F)c1 96006599 HSKVHSYXUZYWNO-VIFPVBQESA-N 323.368 3.502 0 40 DHAB COc1ccc(C(=O)N(CCc2cccs2)C2CC2)cc1F 96120307 RVABTPLZISDWLK-UHFFFAOYSA-N 319.401 3.743 0 40 DHAB COc1cc(C=O)ccc1OCCSCc1cccc(F)c1 96191228 FEMGFGANAIPGOF-UHFFFAOYSA-N 320.385 3.959 0 40 DHAB CCN(Cc1ccoc1)C(=O)N[C@H](C)c1c(F)cccc1OC 96440871 HLGRKPUUKZRYRE-GFCCVEGCSA-N 320.364 3.720 0 40 DHAB CC(C)Cn1ccnc1CN[C@H]1CSCCc2ccccc21 96478399 VWKPJFGBBDOWPG-KRWDZBQOSA-N 315.486 3.659 0 40 DHAB CN(C)CN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 96580759 RTTFCVNTFPKFHC-UVTDQMKNSA-N 318.442 3.540 0 40 DHAB Cc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1F 96659487 SEDWIUDGJXPELM-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 100625693 FARHPXZIPDYPBO-NHIYQJMISA-N 321.848 3.968 0 40 DHAB CCOC(=O)N1CCC(COc2nc3ccccc3s2)CC1 206600115 HSLNHVBHWQNGJM-UHFFFAOYSA-N 320.414 3.544 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccco1 206863028 SPWFWDPMRQEOJW-JCVNQNCUSA-N 317.410 3.519 0 40 DHAB O=C([C@@H]1CC=CCC1)N(Cc1cccs1)C1CCOCC1 207962038 YDTYCEBLJHNFPX-CQSZACIVSA-N 305.443 3.612 0 40 DHAB COc1ccc(C(N)=O)cc1COc1cccc2ccccc12 224297649 JMTPMTKKBJULAP-UHFFFAOYSA-N 307.349 3.526 0 40 DHAB COc1ccccc1O[C@H](Cc1ccc(C)c(Cl)c1)C(=O)O 225080326 WSGMMWHBWDRVEA-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB Cc1ccccc1[C@H](NC(=O)c1cccnc1)c1ccccc1 225429554 LCGZDTQXCDFOKC-LJQANCHMSA-N 302.377 3.909 0 40 DHAB COc1cccc(NC(=O)Nc2nnc(SC(C)C)s2)c1 225764991 KVWJDABRSJONLT-UHFFFAOYSA-N 324.431 3.691 0 40 DHAB O=C(NCc1ccc(-c2cccnc2)nc1)c1ccccc1Cl 225765124 JCLNQESHYDRYKX-UHFFFAOYSA-N 323.783 3.727 0 40 DHAB CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)c(C)n1 225898518 BQRTVQSURCWMCX-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB COc1ccc(-c2cnn3c(O)c(-c4ccccc4)cnc23)cc1 253496342 HGLSBAADGYTEMK-UHFFFAOYSA-N 317.348 3.778 0 40 DHAB CC(=O)N[C@@]1(C)C[C@H](c2ccccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257242802 IEEPCJHBLBSPIW-RWULDMNWSA-N 319.420 3.987 0 40 DHAB Oc1cc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cc(C2CC2)n1 329474012 BMEGONFNJBUJKR-SECBINFHSA-N 307.300 3.617 0 40 DHAB CCn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2ccccc21 408713278 RGGQBFWADLICSC-UHFFFAOYSA-N 306.365 3.582 0 40 DHAB COc1cc(Cl)ccc1C(=O)NC1CCC(F)(F)CC1 536437385 BGNIAIDZKAPXNT-UHFFFAOYSA-N 303.736 3.656 0 40 DHAB O=C(c1cncc(O)c1)N1CCCCC[C@@H]1/C=C/c1ccccc1 547763763 GJOCOEVZNMLIRA-DOJUMQAQSA-N 322.408 3.885 0 40 DHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)[C@@H]1CC=CCC1 1775968496 OTBWHCAFUZAWKU-OCCSQVGLSA-N 317.410 3.514 0 40 DHAB NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1F 195602 MNDFVVBPJOXJHJ-SILNSSARSA-N 316.719 3.557 0 40 DHAB O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCCCC1 386111 XSEBPPOMVWKWBX-UHFFFAOYSA-N 324.833 3.976 0 40 DHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1Cl)C2 1369947 ATKYDDIDOPWHDX-HUUCEWRRSA-N 320.864 3.865 0 40 DHAB O=C(O)c1ccccc1C(=O)c1cc2c3c(cccc3c1)CC2 1595994 JKCYRYBTKTXYNQ-UHFFFAOYSA-N 302.329 3.868 0 40 DHAB O=C(O)[C@@]1(Br)CC1(c1ccccc1)c1ccccc1 1709884 GFNVDJMPIQWZRP-INIZCTEOSA-N 317.182 3.595 0 40 DHAB O=C(CCC(=O)c1cccs1)NCCc1ccc(Cl)cc1 2637159 XWESVVIVXAWNST-UHFFFAOYSA-N 321.829 3.723 0 40 DHAB CC(C)(C)CC(C)(C)NC(=S)NC(=O)c1ccc(F)cc1 3203320 BIIDNQCKVKEUKC-UHFFFAOYSA-N 310.438 3.645 0 40 DHAB CCOc1ccc([C@H](CN)c2c[nH]c3ccccc23)cc1OC 4207204 QUPDYGZDDZXIRU-HNNXBMFYSA-N 310.397 3.666 0 40 DHAB CC(C)C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 4681394 PPXGYJDEMYJKAV-AWEZNQCLSA-N 310.397 3.772 0 40 DHAB Cc1ccc(N2C(=O)S[C@@H](Nc3ccccc3F)C2=O)cc1 5234437 SLKCMBFQUWWHOZ-CQSZACIVSA-N 316.357 3.772 0 40 DHAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccccc1F 5399940 BVGARBPFUSFAPF-UHFFFAOYSA-N 317.389 3.605 0 40 DHAB COc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c1 5611396 XXHYSKINOIYAPL-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB CCCCC[C@@H](O)CCc1nnc(S)n1C1CCCCC1 5866270 CPBPFVDCXYNQLQ-CQSZACIVSA-N 311.495 3.946 0 40 DHAB CC(C)(C)c1ccc([C@@H]2N=C(N)Nc3nc4ccccc4n32)cc1 5976797 ZEZSVLQRBBDXBN-MRXNPFEDSA-N 319.412 3.621 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)OCCO2 6215373 QNQNCZGSPIOICI-UHFFFAOYSA-N 303.745 3.672 0 40 DHAB Cc1cccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)n1 6968574 QUEGRFQMNRRHRD-FOWTUZBSSA-N 324.405 3.669 0 40 DHAB O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Cl)cc1 8215019 SYHKXLCBFXXVMR-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CC(=O)c1csc(NC(=O)/C=C/c2cc3ccccc3o2)n1 9954663 JAIKAXIDBZFMHE-VOTSOKGWSA-N 312.350 3.744 0 40 DHAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2N1 12794292 DODCRNVJKYZGLM-ZDUSSCGKSA-N 318.735 3.544 0 40 DHAB Cc1ccc(C)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 12849910 QGNLOMKADSIEIJ-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@H](C)c2cccs2)cc1 12904631 GYBCNCONPPRHPF-DGCLKSJQSA-N 317.410 3.595 0 40 DHAB COc1cccc(OC)c1C(=O)N[C@H](C)c1cc(C)ccc1C 13671949 FDIXOMBTGGTSRJ-CQSZACIVSA-N 313.397 3.812 0 40 DHAB C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC 13783395 WWYNJERNGUHSAO-ZUHHCLADSA-N 312.453 3.883 0 40 DHAB in-man Fc1ccc(N2CCN(CC3(c4ccccc4)CC3)CC2)cc1 13992493 MTVIWHPITOZRLD-UHFFFAOYSA-N 310.416 3.680 0 40 DHAB COc1ccc(CC(=O)N2CCCSc3ccccc32)cc1 14252048 VMTWVEILOJVNAN-UHFFFAOYSA-N 313.422 3.767 0 40 DHAB COc1ccccc1OCC(=O)N[C@H](C)c1cc(C)ccc1C 14573752 NBHAHXTWMKZXHE-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB COc1ccc(CNC(=S)Nc2cccc3cnccc23)cc1 16212738 MXOQGSALHODUTD-UHFFFAOYSA-N 323.421 3.730 0 40 DHAB Nc1cc(Cl)ccc1NC(=O)c1ccc(Br)o1 20344307 FYVDAJAATAKHAM-UHFFFAOYSA-N 315.554 3.530 0 40 DHAB O=C1CN(C(=O)c2cc3ccccc3s2)c2ccccc2N1 22064517 SBKGLJSZELAQKU-UHFFFAOYSA-N 308.362 3.500 0 40 DHAB Cc1ccsc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 31070173 ZPUBNFGBTZNYCL-UHFFFAOYSA-N 316.426 3.837 0 40 DHAB Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1Br 32609538 ZXOQNXCKVLZNAI-UHFFFAOYSA-N 306.081 3.618 0 40 DHAB Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1c(F)cccc1F 32797297 DEURSTBIDMEZMR-LLVKDONJSA-N 324.396 3.794 0 40 DHAB CONC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 32848459 FJEGKPOZQWGHLH-UHFFFAOYSA-N 310.378 3.768 0 40 DHAB Nc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1 32869546 DRRHUVZMKRXOSD-UHFFFAOYSA-N 307.378 3.554 0 40 DHAB O=C(NC1CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1 35481167 MGONONAQRNAKDQ-UHFFFAOYSA-N 303.793 3.588 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(Cl)c1 37978847 PDANDQUIVMIMEP-GFCCVEGCSA-N 306.818 3.946 0 40 DHAB CC(C)NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C 40068782 VWWMOOSUYOPDGU-UHFFFAOYSA-N 305.809 3.787 0 40 DHAB CC[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1OC 40090472 GUDQAZIUAJYLIJ-FZMZJTMJSA-N 316.228 3.846 0 40 DHAB Cc1nc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)no1 40548798 GDLINHZMNHDFLF-UHFFFAOYSA-N 314.292 3.565 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 44966753 DXLJJSQHSRSJSF-RKDXNWHRSA-N 319.352 3.723 0 40 DHAB CCc1ccc2oc(-c3cc(-n4cnnc4)cc(C)c3O)nc2c1 45920601 VKFLPSVQLLTKMX-UHFFFAOYSA-N 320.352 3.652 0 40 DHAB CC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 48219220 LOVQQQIHTWBPLK-NSHDSACASA-N 303.337 3.933 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N(C1CC1)[C@H](C)c1ccccn1 57513697 SZYNFVKSHCISFP-CVEARBPZSA-N 324.424 3.739 0 40 DHAB O=c1cc(CSc2ccccc2F)nc2ccc(Cl)cn12 58245611 FIGALVZKBRJROV-UHFFFAOYSA-N 320.776 3.779 0 40 DHAB O=C(CCn1ccc2ccccc21)N1CCC(n2cccc2)CC1 60450471 BZYICZVWGIWZAJ-UHFFFAOYSA-N 321.424 3.697 0 40 DHAB CC[C@H](C(=O)N[C@@H](C)Cc1ccccc1C)c1c(C)noc1C 65608470 HXRYVWALFLLKCE-GUYCJALGSA-N 314.429 3.841 0 40 DHAB O=C([C@H]1C[C@@H]1c1ccccc1Br)N1CCCCC1 69416815 NZTSFBQGQSVEHI-OLZOCXBDSA-N 308.219 3.565 0 40 DHAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccncc1 69569597 NECDPLPMVIBUNO-SNVBAGLBSA-N 300.362 3.859 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 72214232 JCAYQMBDJBIIGP-GOSISDBHSA-N 309.413 3.923 0 40 DHAB Cc1nc(Cl)ccc1C(=O)CCCNC(=O)OC(C)(C)C 72217884 WIKRMGQCVZLJFQ-UHFFFAOYSA-N 312.797 3.531 0 40 DHAB Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1 72227492 NLNQEDWLVOPSES-HUUCEWRRSA-N 321.207 3.717 0 40 DHAB Cc1ccc(-c2nc(NC3CC3)ncc2-c2cnccn2)s1 72340289 NQXGZIKNUJLIKH-UHFFFAOYSA-N 309.398 3.545 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccc(F)cc2)C1 89212732 OMPXSJRMAWRCRP-HNNXBMFYSA-N 322.424 3.562 0 40 DHAB C[C@H](N[C@H](C)CCn1cncn1)c1cc2cc(Cl)ccc2o1 90034594 HLDUSLIEUJBYKV-NEPJUHHUSA-N 318.808 3.807 0 40 DHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2CCc1ccc(C)nc1 91244411 GOCKVWBQSRYQFB-PZJWPPBQSA-N 321.468 3.549 0 40 DHAB CC[C@H](NC(=O)N[C@@H](C)C[C@H](O)c1ccco1)c1cccs1 95413404 PBKFRDHRUKVECT-AVGNSLFASA-N 322.430 3.604 0 40 DHAB Cc1cccc(CN(Cc2cccnc2)Cc2cccc(C)n2)n1 95432255 RFFKVHYKCOUZDB-UHFFFAOYSA-N 318.424 3.691 0 40 DHAB CN(C)c1ccccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 95458443 BYVNJGQKMDIVQO-DLBZAZTESA-N 313.372 3.739 0 40 DHAB O=C(Nc1ccnc(Cl)c1F)c1c(F)cccc1Cl 96029302 DDSXRUDLQQTJDK-UHFFFAOYSA-N 303.095 3.919 0 40 DHAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccsc3)cc2)C1 96122420 WBLFOWFIALDSIN-MRXNPFEDSA-N 316.426 3.616 0 40 DHAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1)C2 100424096 LSVPLDATEPZGPS-IRXDYDNUSA-N 301.434 3.604 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCC(=O)c1c[nH]c2ccccc12 102244587 UDWSHUCYAMNLOT-MELADBBJSA-N 311.381 3.720 0 40 DHAB CC(C)C(=O)N1CC[C@H](N[C@H](C)c2cc(F)ccc2F)[C@@H](C)C1 107058499 AESHEFFZZCIMHS-AHIWAGSCSA-N 324.415 3.508 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N(CC(F)F)c1cccc(Cl)c1 107587751 YTGVVNMRSNJUSL-FRRDWIJNSA-N 315.747 3.506 0 40 DHAB C[C@H](CC(F)(F)F)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 158013669 OWVVFDKUZXHOPO-GHMZBOCLSA-N 322.321 3.722 0 40 DHAB CCCc1ccc(OCCNC(=O)CCc2ccccc2)cc1 223446981 JXAQXBJGZALNAB-UHFFFAOYSA-N 311.425 3.767 0 40 DHAB CCCCNC(=O)c1ccc(OC)c(COc2ccccc2)c1 224082851 AQZJVVULQGPIBK-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB Cc1cccnc1NC(=S)NCCSCc1ccccc1 225291672 PPXYILXJAQFWEZ-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB Cc1cc(C)c2c(c1)CCN(C(=O)CCCC1CCOCC1)C2 225588893 COIKYBDNAPCMHN-UHFFFAOYSA-N 315.457 3.785 0 40 DHAB c1ccc2oc(N3CCC[C@@H](COc4ccncc4)C3)nc2c1 1888885394 CUURSVKAXDRCSI-CQSZACIVSA-N 309.369 3.518 0 40 DHAB CCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21 1889047321 REWLWEZSJLLVMF-UHFFFAOYSA-N 309.340 3.700 0 40 DHAB CCOc1ccc(/C=C/C(=O)NC2CCCCC2)cc1OCC 147552 OIPVYXUVMGKTIV-ACCUITESSA-N 317.429 3.946 0 40 DHAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C(F)(F)F 292574 UIOIOZZJQLABMW-UHFFFAOYSA-N 306.243 3.996 0 40 DHAB CC1(C)C(=O)[C@@]2(C(=O)Nc3nc4ccccc4s3)CC[C@@H]1C2 352929 INCBDDCWMAINBV-BMLIUANNSA-N 314.410 3.630 0 40 DHAB CN(C)c1ccc([C@H]2OCC[C@]3(CCOC(C)(C)C3)O2)cc1 517746 RNXCDKJGMRCTGF-FUHWJXTLSA-N 305.418 3.516 0 40 DHAB biogenic CC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@@H]2[C@@H]1c1ccco1 530176 GUESWBIUECWPCJ-CSMYWGQOSA-N 301.317 3.604 0 40 DHAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2F)c(C)c1 570475 XGQRPDOUNXTKDM-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB c1ccc([C@@H]2O[n+]3ccccc3S[C@@H]2c2ccccc2)cc1 1264346 RRRKGNGJOTYDIV-RBUKOAKNSA-N 306.410 3.991 0 40 DHAB Cc1cc(C)c(NC2=NCC(=O)N2c2ccccc2F)c(C)c1 1360521 AAHNDDLEXWDANS-UHFFFAOYSA-N 311.360 3.566 0 40 DHAB O=C1c2ccccc2C2(CCCC2)C(=O)N1Cc1ccccc1 1387691 PZYRZALEFWHDTJ-UHFFFAOYSA-N 305.377 3.681 0 40 DHAB CCCCN(CCCC)CCCN1C(=O)c2ccccc2C1=O 1621831 LHKZGDKIESLRQO-UHFFFAOYSA-N 316.445 3.575 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)OCCc2ccc3c(c2)OCO3)C1(C)C 1711310 XBCLVCWFHKVHDH-PBHICJAKSA-N 316.397 3.739 0 40 DHAB CCOC(=O)c1ccc(C(=O)CCc2ccc(OC)cc2)cc1 2516552 ZOORBOIIDLVOSQ-UHFFFAOYSA-N 312.365 3.687 0 40 DHAB CC(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 2638469 JSGOASARCSOGQN-UHFFFAOYSA-N 305.736 3.863 0 40 DHAB CC[C@H]1CCCCN1CC(=O)c1cccc(Br)c1 3306544 TYXFDSRSRHYHDQ-AWEZNQCLSA-N 310.235 3.896 0 40 DHAB O=C(Nc1cccc(Br)c1)c1ccc(F)cc1F 3430664 ODNJEZMMSBKYLU-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB C[C@H](C(=O)NCC1CCCCC1)N(C)Cc1ccc(Cl)cc1 3453923 PECMYVLJPLAFKN-CQSZACIVSA-N 322.880 3.857 0 40 DHAB COCCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12 4138636 DBFVXZXSGFSLBI-UHFFFAOYSA-N 316.430 3.573 0 40 DHAB C[C@@H](NC(=O)C1(c2cccs2)CCOCC1)c1ccccc1 4478968 KPPPAVKGKVTTFN-CQSZACIVSA-N 315.438 3.674 0 40 DHAB Cc1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1 4675453 NLIIRGGILWHWOY-UHFFFAOYSA-N 312.188 3.508 0 40 DHAB Cc1cnc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cn1 4861398 BOQBBPBYLULDEL-UHFFFAOYSA-N 303.321 3.937 0 40 DHAB CCc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1OC 5243853 SVQPGTCGNNCORG-UHFFFAOYSA-N 321.380 3.696 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)n[nH]2)c(O)c1 5343771 IAVJUKPOWBUUND-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB CC(C)=CCCC1=CC[C@@H]2C(=O)NN(c3ccccc3)C(=O)[C@H]2C1 5495215 XMGHGZFUAASIJW-ROUUACIJSA-N 324.424 3.763 0 40 DHAB biogenic CC(C)OCCCNC(=O)CSCc1ccc(Cl)cc1 6344978 HLZGADWYLULFAC-UHFFFAOYSA-N 315.866 3.505 0 40 DHAB CCc1ccc2oc(C(=O)Nc3ccccc3F)cc(=O)c2c1 6811276 MHMMVXWAWGQWGW-UHFFFAOYSA-N 311.312 3.747 0 40 DHAB CCOc1ccccc1NC(=O)CN1Cc2cc(C)c(C)cc2C1 7066350 DMFKHKHMHDPYGZ-UHFFFAOYSA-N 324.424 3.656 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2F)c(C)c1 7217490 LBXNHXCUEXFEBI-UHFFFAOYSA-N 321.417 3.572 0 40 DHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCCCCC1 7461195 KUQXYAWWHIMSTH-UHFFFAOYSA-N 319.493 3.928 0 40 DHAB CNCc1cc(Br)ccc1OCc1ccccc1 8377366 GMLCKISGTKLTTI-UHFFFAOYSA-N 306.203 3.748 0 40 DHAB CCc1ccc(CCC(=O)N(C)Cc2ccc(OC)cc2)cc1 10335302 UVVOPFRISWPPTD-UHFFFAOYSA-N 311.425 3.849 0 40 DHAB Cc1[nH]c2ccc(C(=O)NCCCOc3ccccc3)cc2c1C 11085711 UNVACRJEGRJLPS-UHFFFAOYSA-N 322.408 3.984 0 40 DHAB O=C(Nc1nccs1)c1cc(-c2ccc(Cl)cc2)on1 11916130 XOFFFZXJVSLMFY-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB CN(C)[C@@H](CNC(=O)c1cccc2ccccc12)c1ccsc1 13011246 UFVFIDXISALNKF-SFHVURJKSA-N 324.449 3.934 0 40 DHAB CN(CC(=O)Nc1cccc(F)c1)Cc1cccc(Cl)c1 13038321 OSKLJVFGELKTPD-UHFFFAOYSA-N 306.768 3.550 0 40 DHAB CCn1c(=O)n(CCOc2ccccc2Cl)c2ccccc21 14145565 CEMRJPZZLQIZTH-UHFFFAOYSA-N 316.788 3.555 0 40 DHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(F)c1 15199056 QYTVTVNOTHPBEX-CQSZACIVSA-N 305.349 3.932 0 40 DHAB C[C@H](NCc1ccc(Cl)cc1Cl)c1nnc2ccccn12 15593731 QMWUXQMRHTYTKJ-JTQLQIEISA-N 321.211 3.887 0 40 DHAB Cc1nc(CNC(=O)c2oc3ccc(F)cc3c2C)cs1 15832314 HUDGERILFCPRPM-UHFFFAOYSA-N 304.346 3.575 0 40 DHAB Cc1cc2nc(NC(=O)c3ccc(F)cc3F)[nH]c2cc1C 16284167 DIFLIYFYXTXOPO-UHFFFAOYSA-N 301.296 3.710 0 40 DHAB COc1c(C)cccc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20143028 NPLCDMDLUYDSPF-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1Cl 21473675 IOZLNZNWBCDMQO-SNVBAGLBSA-N 313.781 3.519 0 40 DHAB Cc1nc2ccccc2n1C(=O)COc1ccc(Cl)cc1 27025842 QQPHTQFMCSCNRY-UHFFFAOYSA-N 300.745 3.717 0 40 DHAB CC[C@@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1ccc(C)cc1 28236271 LEHBBXGQHDLNPW-LLVKDONJSA-N 311.307 3.618 0 40 DHAB CCc1cc(C(=O)NCCOc2ccc(F)cc2)sc1C 30132523 OWCFLHIDYQCFNO-UHFFFAOYSA-N 307.390 3.567 0 40 DHAB CC[C@H](NC(=O)NCc1ccccc1OC)c1ccc(C)cc1 30989248 ZFNWMXZLEBOWLJ-KRWDZBQOSA-N 312.413 3.954 0 40 DHAB C[C@@H](NC(=O)CCC1CCCCC1)c1ccc2c(c1)OCO2 32609809 SEPQUETXERVFHJ-CYBMUJFWSA-N 303.402 3.953 0 40 DHAB CCOc1ccccc1C(=O)N1CCCc2cc(OC)ccc21 32848572 UDTJPBHFEOZLFB-UHFFFAOYSA-N 311.381 3.687 0 40 DHAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCC(=O)CC1 38277888 LCEPXCFIENMIGB-UHFFFAOYSA-N 313.394 3.670 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)s1 40510912 FKSCEVSFHMOUMG-UHFFFAOYSA-N 317.414 3.839 0 40 DHAB Cc1cc(Br)c2oc(-c3cc(N)cc(N)c3)nc2c1 40542269 OKQSIQWQBNZIIB-UHFFFAOYSA-N 318.174 3.730 0 40 DHAB C[C@@H](c1ccccn1)N(C(=O)[C@@H](C)OCc1ccccc1)C1CC1 57513689 SZYNFVKSHCISFP-JKSUJKDBSA-N 324.424 3.739 0 40 DHAB O=C(c1ccc(O)c(Cl)c1)N1CCC(OC2CCCC2)CC1 58245401 QEDIOMGTLRCTMZ-UHFFFAOYSA-N 323.820 3.609 0 40 DHAB CC[C@@H](C)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl 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CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC/C=C/c1ccccc1 84736230 KHGINXKUQOGREB-AXJDHONKSA-N 314.473 3.573 0 40 DHAB O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cccnc1 89793946 BAXDAVROMZMLMW-UHFFFAOYSA-N 322.242 3.599 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)C2=C(Cl)CCC2)c1 89904584 XXBNEULWIVVBHS-JTQLQIEISA-N 309.793 3.558 0 40 DHAB COc1cccc(C2=NN(C(C)=O)[C@H](c3ccccc3F)C2)c1 89930422 PCVMBADLTQDTRG-SFHVURJKSA-N 312.344 3.532 0 40 DHAB Cc1csc([C@@H]2CN(C/C=C/c3ccc(F)cc3)CCO2)n1 92790152 ZGAXHCMTLLCFAV-KZSQQDEKSA-N 318.417 3.677 0 40 DHAB C[C@H](NCC1(N[C@H](C)c2ccccc2)CCCC1)c1cnccn1 95422915 GCYSLJZYIUAWLE-SJORKVTESA-N 324.472 3.791 0 40 DHAB c1ccc(-c2cc3c(ncn4nc(-c5ccncc5)nc34)o2)cc1 96194523 REQMGUJZISIYEW-UHFFFAOYSA-N 313.320 3.600 0 40 DHAB Cc1ccccc1CN(C)C(=O)CNc1ccc(Cl)cc1F 98073714 AELUTTHZKMPLAW-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB CCc1ccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)cc1 101275761 AKWOWYIYFBVPPU-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB FC(F)(F)c1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1 185505266 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COc1nc(C(F)(F)F)ccc1-c1ccc(N2CCC2=O)cc1 585120669 SEACJRPPIKHRFB-UHFFFAOYSA-N 322.286 3.513 0 40 DHAB O=Cc1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 685936171 ISZMORBMRFZBLL-UHFFFAOYSA-N 322.208 3.782 0 40 DHAB CO[C@@H](CNc1ncnc2ccsc12)c1ccc(C)s1 1775972758 UUTJZDFHNVPOTH-NSHDSACASA-N 305.428 3.861 0 40 DHAB Cc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2C)c1 267206 ZUCGGPHNDYTOGX-UHFFFAOYSA-N 304.777 3.678 0 40 DHAB O=C(COC(=O)c1ccc2ccccc2c1O)c1ccccc1 563637 PNKZMOIPNUTZON-UHFFFAOYSA-N 306.317 3.585 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)N[C@@H](C)c1ccccc1 574348 UHJMQYQUPGNOKC-FNDVETGQSA-N 311.381 3.594 0 40 DHAB COc1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1OC 817661 KTVUXLSOCLVKKY-IBGZPJMESA-N 321.380 3.848 0 40 DHAB c1ccc(COc2ccc(Nc3ncnc4[nH]cnc34)cc2)cc1 2719596 IMKUYUJIUZMNDS-UHFFFAOYSA-N 317.352 3.676 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(CC)cc1 5420894 CAXVQNOBHXKQRA-OAHLLOKOSA-N 304.434 3.520 0 40 DHAB O=C(CCc1cccs1)Nc1nc(-c2ccccn2)cs1 6822604 QMQZGSQYGZFZKI-UHFFFAOYSA-N 315.423 3.838 0 40 DHAB Cc1ccc(-c2nnc([C@@H](C)Sc3cccc[n+]3[O-])o2)cc1 6988597 NXWWXNXMYLWJTK-GFCCVEGCSA-N 313.382 3.532 0 40 DHAB Cc1cc(C)cc(-c2nnc(SCc3cc(C)on3)o2)c1 7743943 MDCZQGOJTCGNCM-UHFFFAOYSA-N 301.371 3.942 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c1 8041791 MDAQWBGYNUTDDQ-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB Cc1cc(SCC(=O)Nc2ccc(O)cc2)nc2ccccc12 8707364 DASQASSVXBDLDA-UHFFFAOYSA-N 324.405 3.980 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1 10429203 SNFSHKKORFOQIK-UHFFFAOYSA-N 324.424 3.921 0 40 DHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1cccc(Cl)c1 10449988 YDTQXFCCLVMRNI-GFCCVEGCSA-N 321.829 3.621 0 40 DHAB CC[C@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1ccc(F)cc1 12147319 JAEDTKMWOSDEKB-HNNXBMFYSA-N 311.360 3.892 0 40 DHAB COC(=O)c1c(C)[nH]c(-c2csc(N3CCCCC3)n2)c1C 12793093 QAWBAVKVZZAIDU-UHFFFAOYSA-N 319.430 3.532 0 40 DHAB Cc1cc(C)cc(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 12974965 OMHIJNRPZSZKBH-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB O=C(CN1CCCc2ccccc21)Nc1ccc(Cl)cc1 13055896 WMBSVFUYCPSYGP-UHFFFAOYSA-N 300.789 3.731 0 40 DHAB CC(C)COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 13095134 RKNDIRUIANOLPU-UHFFFAOYSA-N 313.353 3.672 0 40 DHAB Cn1ccc([C@H]2CCCCCN2Cc2cccc(F)c2F)n1 19291088 VPZGHQDUYTVNQV-MRXNPFEDSA-N 305.372 3.816 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1N 20195030 SKBASAYYSOZYME-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Clc1cccc(Cl)c1Cn1cnc2c(Cl)ncnc21 20429039 OODRAFIESPIMIC-UHFFFAOYSA-N 313.575 3.835 0 40 DHAB O=C(c1ccc2c(c1)OCCCO2)N1CC[C@H]2CCCC[C@@H]2C1 21905369 BMVZUOJQJXRIFF-GDBMZVCRSA-N 315.413 3.500 0 40 DHAB Cc1ccc(CC(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1 25056351 QVQXPHRJDXJCKB-UHFFFAOYSA-N 318.756 3.663 0 40 DHAB O=C(Nc1nncs1)c1ccc(-c2cccs2)cc1F 30568204 ZCSBNASNERMHHB-UHFFFAOYSA-N 305.359 3.658 0 40 DHAB CCCCCNC(=O)Nc1ccc(Br)cc1F 32862276 WGVMTTDTWGEYCC-UHFFFAOYSA-N 303.175 3.900 0 40 DHAB COc1ccc2nc(C(=O)OCc3ccccc3C)ccc2c1 32868702 HPSWIPOQPRQNDK-UHFFFAOYSA-N 307.349 3.909 0 40 DHAB O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(Cl)s1 32925629 UXOBDKYILVGWDY-UHFFFAOYSA-N 317.801 3.517 0 40 DHAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 38833212 NFAMFWNPWBXNNM-SFHVURJKSA-N 308.425 3.846 0 40 DHAB CCN(C(=O)CNc1ccccc1OC(F)F)c1ccccc1 40160624 VZYFBTDFPRIAOW-UHFFFAOYSA-N 320.339 3.753 0 40 DHAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(F)cc1 47375239 ZMYDZQRCCSNNHA-UHFFFAOYSA-N 315.348 3.608 0 40 DHAB C[C@@H]1C[C@H]1C(=O)N1CCc2sccc2[C@@H]1c1cccs1 48303221 FNKHBEFLHCLJSK-IXPVHAAZSA-N 303.452 3.940 0 40 DHAB C[C@H](NC(=O)CCc1ccccc1O)c1ccc(F)c(Cl)c1 55744096 HMTBIYZOKROOMV-NSHDSACASA-N 321.779 3.995 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979483 XENPZQQZPKIHNP-GXSJLCMTSA-N 318.760 3.780 0 40 DHAB Cc1cc(Br)ccc1-c1ccc(/C=C/C(N)=O)o1 57353768 UHRWDIOPEUISND-QPJJXVBHSA-N 306.159 3.516 0 40 DHAB Cc1nc2ccc(NC(=O)CCc3c(C)noc3Cl)cc2o1 58415286 QDIKZBCTROIMAF-UHFFFAOYSA-N 319.748 3.657 0 40 DHAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(C)c3C)CC2=O)c1 59227303 IUJBJBYTXYDQND-INIZCTEOSA-N 322.408 3.603 0 40 DHAB O=C(c1ccoc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 69514521 VEWWTWLJMLFTFT-OAHLLOKOSA-N 323.352 3.697 0 40 DHAB Cc1nccn1CCCC(=O)N[C@H](c1ccccc1)C1CCC1 69896851 LRPXLILKAVFUBB-LJQANCHMSA-N 311.429 3.629 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)N1CCC(c2cccs2)CC1 75157026 OARPLJZLXMZHCR-AWEZNQCLSA-N 315.438 3.922 0 40 DHAB COCCn1cc(C(=O)Nc2ccc(C)cc2O)c2ccccc21 84146173 PTOGDPVBENFPFH-UHFFFAOYSA-N 324.380 3.554 0 40 DHAB Fc1ccc(NCc2ccncc2)c(OCC(F)(F)F)c1 89793416 PHKKPTXTBVFQJS-UHFFFAOYSA-N 300.255 3.774 0 40 DHAB CCOCCC1(CNC(=O)Nc2ccc(C(C)=O)cc2)CCC1 89986801 JGQLAKRQBQDWAU-UHFFFAOYSA-N 318.417 3.608 0 40 DHAB Cc1nc(C(=O)Nc2ccncc2)c(Cc2ccccc2)s1 95480446 BZZSSSRBRHKIAM-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB CSc1ccc([C@H](O)CNC(=O)Nc2ccccc2C)cc1 96103293 FOMARDZAGYTOHX-MRXNPFEDSA-N 316.426 3.572 0 40 DHAB CC(C)=CC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 96412632 RFXFZSVHIGKUME-KRWDZBQOSA-N 307.821 3.578 0 40 DHAB O=C(O)c1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1 96765590 AXVMJJKUPVFLIU-GHXNOFRVSA-N 314.337 3.896 0 40 DHAB Cc1nc(CSCc2nnc(C3CC3)n2C2CC2)sc1C 97370284 WNWVIBQLAPUCLI-UHFFFAOYSA-N 320.487 3.997 0 40 DHAB CC[C@@H](C)NC(=O)CSCc1cccc(Br)c1 187734361 ZHWZMCMEIAUTPL-SNVBAGLBSA-N 316.264 3.597 0 40 DHAB COC1(CN[C@H](C)c2cc3ccccc3s2)CCOCC1 188255832 IXSSHDSROZIPTC-CYBMUJFWSA-N 305.443 3.748 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 225177295 BHFKLQLDGPCQOB-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB COc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cn1 225539025 UQDXEBALIJIEBN-CYBMUJFWSA-N 315.442 3.755 0 40 DHAB COc1ccc(CCCNC(=S)Nc2ccc(C)cc2)cc1 225555442 INLIZZXOAYPYKM-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB Cc1ncc(-c2nccnc2C[C@@H]2CCCN(C(C)C)C2)s1 257238446 HLABWDQUBHDMAY-AWEZNQCLSA-N 316.474 3.571 0 40 DHAB CCc1ccccc1C(=O)[C@@H](Br)CBr 382675205 NGWQFTDIUHWXHQ-JTQLQIEISA-N 320.024 3.590 0 40 DHAB Cc1ccc(CNc2ccc(N3CCCC3=O)cn2)c(Cl)c1 516871014 VLHPAWAVIFFDSL-UHFFFAOYSA-N 315.804 3.782 0 40 DHAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](CF)C1 881591118 HLNLKMJZMSYKKZ-LBPRGKRZSA-N 304.390 3.632 0 40 DHAB Cc1cc(C)n(-c2nccnc2Oc2ccc(Cl)cc2)n1 1888897815 AKPLFCAPFNIJBC-UHFFFAOYSA-N 300.749 3.725 0 40 DHAB Cc1cccc(N2C(=O)S[C@@H](N(C)c3ccccc3)C2=O)c1 1318034 VZMAOWOENWXHHE-MRXNPFEDSA-N 312.394 3.657 0 40 DHAB NC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 1400034 YUZFGWALNYDIAL-UHFFFAOYSA-N 316.666 3.645 0 40 DHAB CC1(C)Cc2c(nc3ccccc3c2C(N)=O)-c2ccccc21 1578740 DTWWNJZPAIKLKO-UHFFFAOYSA-N 302.377 3.834 0 40 DHAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1cccc(Cl)c1 4029229 RCCAMDAESPSZNB-ZBFHGGJFSA-N 307.821 3.761 0 40 DHAB biogenic COC(=O)c1ccsc1NC(=O)CSc1ccc(C)cc1 4496481 FTUXJKMBTMNCCD-UHFFFAOYSA-N 321.423 3.574 0 40 DHAB COCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 5207867 GTBLNPOTERFUCI-FMIVXFBMSA-N 308.381 3.862 0 40 DHAB Cc1ccc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)c(O)c1 5225713 RHIVDLJIQBTXFN-GFCCVEGCSA-N 323.348 3.610 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc2c(c1)N1CCN=C1S2 5615553 DLYRTWIIXISCAZ-UHFFFAOYSA-N 309.394 3.529 0 40 DHAB O=C(CSCc1ccc(F)cc1)Nc1c(F)cccc1F 7146581 PDUFOADVPYVRKX-UHFFFAOYSA-N 311.328 3.976 0 40 DHAB Cc1cccc(Nc2nc3ccccc3c3nnc(C)n23)c1C 7500039 YDOUUILCFIXHFT-UHFFFAOYSA-N 303.369 3.946 0 40 DHAB CCOc1cc(C)c(S(=O)(=O)N[C@@H](C)CC)cc1C(C)C 7616246 HPVXJKYNNZVMCK-ZDUSSCGKSA-N 313.463 3.594 0 40 DHAB Cc1ccc(F)cc1NC(=O)c1cccc(N2CCCC2=O)c1 8075744 SSNOWVYPPMFQTB-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB Cc1ccc(C)c(NC(=S)Nc2ccc3c(c2)OCCO3)c1 8306580 BZHMZQZLCHSIMB-UHFFFAOYSA-N 314.410 3.884 0 40 DHAB O=C(NCCSCc1ccsc1)Nc1ccccc1F 8943652 PJQDWIOFERMHRF-UHFFFAOYSA-N 310.419 3.942 0 40 DHAB CC[C@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccsc1 11438423 AXSQWALQNCFPEB-OAHLLOKOSA-N 306.406 3.736 0 40 DHAB COC(=O)c1ccoc1-c1sc2nc(C)cc(C)c2c1N 12422107 BPBVKWQBHCCCQJ-UHFFFAOYSA-N 302.355 3.542 0 40 DHAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 12674127 SUJAQCINCVJIIU-ACJLOTCBSA-N 312.388 3.894 0 40 DHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(F)cc(F)c1 12915376 HBTMUDONYBWYLD-JTQLQIEISA-N 322.380 3.584 0 40 DHAB Cc1noc(C)c1C(=O)Nc1ncc(Cc2ccccc2)s1 12982050 HKEQWKAFMFNXCN-UHFFFAOYSA-N 313.382 3.591 0 40 DHAB COc1cccc(C(=O)N[C@@H](C)c2ccccc2Cl)c1OC 13010284 SOVBEVXBUVVMQT-NSHDSACASA-N 319.788 3.848 0 40 DHAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1O[C@@H](C)CC 13843894 LPQQVNKVHYOADV-ADVUTCEVSA-N 321.398 3.587 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1cccs1 14116628 HSNJTAQTXNGSNO-LLVKDONJSA-N 309.818 3.528 0 40 DHAB Nc1ccccc1/C=C(\C(=O)O)c1ccc(C(F)(F)F)cc1 16953498 NHYMBIKPHLPWCU-LCYFTJDESA-N 307.271 3.913 0 40 DHAB CC(C)c1ccc(-n2cc(C(=O)Nc3ccccc3F)nn2)cc1 19814230 DENHDHICWWJHLH-UHFFFAOYSA-N 324.359 3.782 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2)cc1OC 20039899 JKVYUMHQQSZOQL-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB Clc1ccccc1CNc1ccc(N2CCOCC2)cc1 21801221 VSCULZHEPMXVME-UHFFFAOYSA-N 302.805 3.789 0 40 DHAB Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1 24751396 RJAZODQKSKXXPD-UHFFFAOYSA-N 311.429 3.591 0 40 DHAB CC(=O)Nc1ccc(CC(=O)O[C@@H](C)c2ccc(F)cc2)cc1 25624390 BWVQACSGADUHGT-LBPRGKRZSA-N 315.344 3.631 0 40 DHAB O=C(OCc1nc2ccccc2s1)c1ccc2cn[nH]c2c1 25786665 DGAINKLGBYFRFQ-UHFFFAOYSA-N 309.350 3.530 0 40 DHAB CCCCc1ccc(NC(=O)c2cnc3cc(C)nn3c2C)cc1 31573026 OWHAPQVKYWEWOR-UHFFFAOYSA-N 322.412 3.941 0 40 DHAB O=C(NCc1cccc(Cl)c1)c1noc2c1CCCCC2 32089228 VVRYPPAIBJCTNE-UHFFFAOYSA-N 304.777 3.527 0 40 DHAB O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc(Cl)cc1 32105843 BYSMBYGSRKNCOW-UHFFFAOYSA-N 317.801 3.768 0 40 DHAB COc1cccc(CO[C@H](C)C(=O)N[C@H](C)c2cccs2)c1 32924149 LBULHVGELWKPBA-CHWSQXEVSA-N 319.426 3.539 0 40 DHAB Cc1nc(C2(NC(=O)c3cccc(Cl)c3)CCCCC2)no1 36660212 IOXGOVXKHGTAHA-UHFFFAOYSA-N 319.792 3.621 0 40 DHAB O=C(c1cc(Br)ccc1Cl)N1CCCCC1 37974758 JQROOWPJTDXYDH-UHFFFAOYSA-N 302.599 3.729 0 40 DHAB CC(C)OCc1cccc(CNC(=O)c2cc(F)cc(F)c2)c1 48364121 AQUAXQYJSZMMLU-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1CCc1ccccc1 55485177 NIABNKWRDAVKGJ-KRWDZBQOSA-N 323.392 3.653 0 40 DHAB Cc1c(CN2CCSCC2)cccc1NC(=O)C(C)(C)C 58296777 AQQFUJROTJLUDM-UHFFFAOYSA-N 306.475 3.528 0 40 DHAB CC[C@H](C)[C@H](NC(=O)CC(F)(F)F)c1nc2ccccc2[nH]1 65590622 RUOLLNNGVRSGNN-ZANVPECISA-N 313.323 3.719 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1C[C@@H]1c1ccccc1 67502620 LUBWXTIURTXCJI-IEBWSBKVSA-N 304.393 3.773 0 40 DHAB CCN(C(=O)c1cnc2snc(C)c2c1)c1cccc(F)c1 69351712 CUGRUXVXMKATDI-UHFFFAOYSA-N 315.373 3.806 0 40 DHAB CN(C(=O)C1CCC1)[C@H](c1cccnc1)c1ccc(F)cc1F 69518380 GNRLIQJRUQZABB-QGZVFWFLSA-N 316.351 3.708 0 40 DHAB Cc1csc(C2CCN(CCCOCC(F)(F)F)CC2)n1 69583669 SQFKTPXGPJYTTH-UHFFFAOYSA-N 322.396 3.600 0 40 DHAB Cc1ccc([C@@H]2CSCCN2Cc2noc(C3CC3)n2)cc1 71909418 IBGIGYASTYELCR-HNNXBMFYSA-N 315.442 3.546 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ncccc1C1=NCCC1 72214719 XYYANNPRHZSZEV-UHFFFAOYSA-N 303.406 3.816 0 40 DHAB Cc1ccc(CCCC(=O)Nc2ccc([S@@](C)=O)cc2)cc1 72298063 SGBNHVOKZNAWDQ-QFIPXVFZSA-N 315.438 3.694 0 40 DHAB c1ccc(-c2cnn(CCN3CCc4ccccc4C3)c2)cc1 75105626 MBHPJBAIOSWAEM-UHFFFAOYSA-N 303.409 3.608 0 40 DHAB COC[C@H](NC(=O)N[C@@H](C)c1cc(C)oc1C)c1ccc(C)o1 84195177 UQJLSKRVHKUNGC-WFASDCNBSA-N 320.389 3.546 0 40 DHAB CC[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 95407206 VZNZXGQBLLTLOS-ZFWWWQNUSA-N 315.369 3.617 0 40 DHAB O=C1CC[C@@]2(CCCN(Cc3ccsc3)CC2)N1CC1CC1 96217936 QAAVJNUUGXNUHR-GOSISDBHSA-N 318.486 3.505 0 40 DHAB C[C@@H]1CN(C(=O)Nc2ccccc2F)C[C@@H](c2ccsc2)O1 96469333 CZFQUCIKKUKQBR-ABAIWWIYSA-N 320.389 3.881 0 40 DHAB CC(C)NC(=O)Nc1ccc([C@@H](C)NC[C@H]2CCCS2)cc1 96479273 ZULMEJBMFFLHSK-CZUORRHYSA-N 321.490 3.763 0 40 DHAB CC1(C)C(=O)[C@]2(C(=O)Nc3nc4ccccc4s3)CC[C@@H]1C2 100868072 INCBDDCWMAINBV-QGHHPUGFSA-N 314.410 3.630 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC(C)C)c1 113969975 DBMNRIHJFINOQJ-UHFFFAOYSA-N 319.426 3.891 0 40 DHAB COCc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(O)c1 184800318 OSQLIWSBZVPPJE-NSHDSACASA-N 318.348 3.560 0 40 DHAB C[C@H](Nc1ccc(Cl)c(C[S@@](C)=O)c1)c1ccccn1 191176670 WRZBXGWXFWRZKK-PRWKNARSSA-N 308.834 3.787 0 40 DHAB Fc1cnccc1NCc1csc(COc2ccccc2)n1 192150955 JDCDXVFDAASOFB-UHFFFAOYSA-N 315.373 3.868 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)cc1 223123997 YJIBQNHMQJZJJI-MRXNPFEDSA-N 311.425 3.900 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)Cc1cccc(Cl)c1 223188677 JFDRVJIWTJRGTQ-CQSZACIVSA-N 317.816 3.775 0 40 DHAB CCOc1cc(CNC[C@H]2CCCO2)ccc1OC1CCCC1 225158094 AWPLRKNXUDOROE-QGZVFWFLSA-N 319.445 3.675 0 40 DHAB CC(C)CCNC(=S)Nc1ccc(Oc2ccccc2)nn1 225188703 FRQWXUFVIIYOGY-UHFFFAOYSA-N 316.430 3.601 0 40 DHAB CC[C@H](NCc1ccnc(N)c1)c1ccc(OC(F)F)cc1 225615899 ACDCCVFGNLCCDE-AWEZNQCLSA-N 307.344 3.506 0 40 DHAB CCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409234121 MALFXASMPKMZID-FOWTUZBSSA-N 324.405 3.750 0 40 DHAB CC(C)CCNC(=O)C1CCN(C[C@H](C)c2ccccc2)CC1 299510 WNLSSWLTXDZNLA-KRWDZBQOSA-N 316.489 3.664 0 40 DHAB CC(=O)c1cc2c(cc1NC(=O)c1ccccc1Cl)OCO2 338698 JHHPFXKQBUFPQO-UHFFFAOYSA-N 317.728 3.524 0 40 DHAB Cc1ccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)cc1 578822 XSPGJGDKANHDIQ-UHFFFAOYSA-N 306.365 3.709 0 40 DHAB O=C(CSc1nc2ccccc2[nH]1)N1CCCc2ccccc21 1443622 JKHZKVWQVNVENH-UHFFFAOYSA-N 323.421 3.634 0 40 DHAB CC(=O)O[C@]12c3ccccc3[C@@H]1CCCCCC21OCCCO1 1634653 MLMNSGWQZQFPCN-LPHOPBHVSA-N 316.397 3.640 0 40 DHAB CN(CC(=O)c1ccc(Br)cc1)c1ccccc1 1700085 YYHAXALUHJQUNM-UHFFFAOYSA-N 304.187 3.768 0 40 DHAB Cc1cccc(C)c1OCCCn1c(CO)nc2ccccc21 1926871 QHNBZXAPCOAQCH-UHFFFAOYSA-N 310.397 3.615 0 40 DHAB CCCCCc1nnc(NC(=O)c2ccc(OC)cc2)s1 3016599 FHYIIXCXPONOQT-UHFFFAOYSA-N 305.403 3.532 0 40 DHAB O=C(NCCc1ccc(Cl)cc1)c1cc2c(s1)CCC2 3230508 CENHUEGPHCHUQS-UHFFFAOYSA-N 305.830 3.863 0 40 DHAB CCC(CC)(C(=O)O)C(=O)Nc1ccc(SC(F)F)cc1 3236303 ZVCCDHKBNZYBKV-UHFFFAOYSA-N 317.357 3.831 0 40 DHAB COc1ccc(CCC(=O)Nc2cccc3ncccc23)cc1 3407192 KCTPKSDJBCLOJG-UHFFFAOYSA-N 306.365 3.815 0 40 DHAB Cc1ccc(Nc2nc(C(=O)NCc3ccccn3)cs2)cc1 4412092 OXGGLPWPIVTRPX-UHFFFAOYSA-N 324.409 3.520 0 40 DHAB C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(F)cc1 5617293 ZHQQVZCPLUAYAT-GFCCVEGCSA-N 307.365 3.666 0 40 DHAB Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1 5740308 CYZKXMMNMCGSJJ-UHFFFAOYSA-N 308.377 3.914 0 40 DHAB CCN(C[C@@H](O)COc1ccccc1Cl)C1CCCCC1 6325626 GOAMOCOXJKKHLJ-OAHLLOKOSA-N 311.853 3.734 0 40 DHAB CC(C)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)N(C)C1=S 6376235 QIAMVKQDQIAJCN-PTNGSMBKSA-N 316.470 3.792 0 40 DHAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccccc1 6881000 KXGGSXKFRXUDNZ-AWEZNQCLSA-N 316.832 3.649 0 40 DHAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1F 7128621 MROHDARYXSNCSG-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB O=C(OCc1cc(-c2ccco2)on1)c1cc2ccccc2[nH]1 7337517 LPUUGGYVXMXKNE-UHFFFAOYSA-N 308.293 3.773 0 40 DHAB COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 7946106 BPRRANCSQFQFMJ-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB Cc1ccc(C)c(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)c1 8987275 JVCJIMSRWKENLB-LJQANCHMSA-N 311.381 3.675 0 40 DHAB CCCOc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 9479465 MUNBMHBHAWXYNH-UHFFFAOYSA-N 312.369 3.686 0 40 DHAB COc1ccccc1CN(C)C(=O)Cc1coc2cc(C)ccc12 9742657 AVFOPHRYBUMROG-UHFFFAOYSA-N 323.392 3.951 0 40 DHAB CC(C)N1CCC(CNC(=O)c2cccc3ccccc23)CC1 12442778 KXKNFVGGBPNQKD-UHFFFAOYSA-N 310.441 3.690 0 40 DHAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1 13132160 CJELIFRFAHCATP-ZWKOTPCHSA-N 320.396 3.741 0 40 DHAB Cc1nnc(SCc2ncc(-c3ccc(F)cc3)o2)s1 14108737 YGHBAWORVRCYPW-UHFFFAOYSA-N 307.375 3.933 0 40 DHAB CN1C(=O)[C@@H](Cc2ccccc2)c2cc(Br)ccc21 15017837 YLDDSQXKSSOSDV-AWEZNQCLSA-N 316.198 3.752 0 40 DHAB Fc1ccccc1COc1ccccc1CNC[C@@H]1CCCO1 16449644 JJTVJSAJGMMLAR-KRWDZBQOSA-N 315.388 3.673 0 40 DHAB CCNc1nc(Nc2ccc(Cl)cc2C)c2cnn(C)c2n1 17296740 BJCKBVBIIDEJOQ-UHFFFAOYSA-N 316.796 3.501 0 40 DHAB Cc1cc(NC(=O)c2ccccc2)ccc1-c1ccc(CO)o1 20137380 BPSKSICCQXSEIO-UHFFFAOYSA-N 307.349 4.000 0 40 DHAB COc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 29689848 FXPWTENKJZMGOZ-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1[C@@H](C)CCC[C@H]1C 31864597 VGRDSRLAQFIYAV-TXEJJXNPSA-N 315.442 3.917 0 40 DHAB COc1ccccc1-c1cc(C(=O)NCC2CCCCC2)no1 40087371 DKZCEVPPOPGFKS-UHFFFAOYSA-N 314.385 3.660 0 40 DHAB CCOC(=O)C(C)(C)Oc1ccc(/C=C/c2ccncc2)cc1 41104789 MRDFBWSSZIMGFW-AATRIKPKSA-N 311.381 3.973 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CCn2cccc2[C@@H]1c1ccccc1 44575980 AQKNWULUHFPSAB-MJGOQNOKSA-N 306.409 3.776 0 40 DHAB CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1OCC 47219334 JORAVBFMNKIPFH-PTNGSMBKSA-N 309.365 3.977 0 40 DHAB COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 47711365 HYNZNDQAIAVQQJ-NSHDSACASA-N 317.345 3.649 0 40 DHAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@@H](C)c2cccnc2)c1 48242119 MTARYGDOUJFTKF-STQMWFEESA-N 318.804 3.688 0 40 DHAB COc1ccc2nc(C)c(C(=O)N3CCC[C@H](C)CC3)cc2c1 58174019 VGFIQFLIQHZIBK-ZDUSSCGKSA-N 312.413 3.814 0 40 DHAB O=C(CC[S@@](=O)Cc1cccc(Cl)c1)Nc1ccccc1 58229327 SBBQUWDAGYYEDB-NRFANRHFSA-N 321.829 3.618 0 40 DHAB O=C(CCC1CCCCC1)NCc1noc(-c2cccs2)n1 58289619 YABVXSPRLXYZNV-UHFFFAOYSA-N 319.430 3.775 0 40 DHAB CC(C)(C)C(=O)NCc1cccc(CN2CCCCCC2)c1 60239085 HLZDZYDALMFSEH-UHFFFAOYSA-N 302.462 3.725 0 40 DHAB CC(=O)Nc1cc(C(=O)NCC2CCCCCCC2)ccc1F 65089951 AGTDMXSYZCATQL-UHFFFAOYSA-N 320.408 3.874 0 40 DHAB C/C=C/C=C/C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 69370924 DZUWDFIIQWBNRW-MQQKCMAXSA-N 305.805 3.594 0 40 DHAB O=C(CSCC(=O)c1ccccc1)Nc1ccc(F)cc1F 69381098 DBUQSBLXVHYTQJ-UHFFFAOYSA-N 321.348 3.519 0 40 DHAB CC[C@H](C(=O)N[C@H](C)c1ccccc1C)c1c(C)noc1C 69460702 MRIRPRGWZPHDGA-DOMZBBRYSA-N 300.402 3.971 0 40 DHAB CC(C)(C)OC(=O)Nc1cncc(NC(=O)OC(C)(C)C)c1 71261632 AWJVWSPNCHWCIA-UHFFFAOYSA-N 309.366 3.776 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1CCOC1 71832981 VDTBHPHNKOFCQK-LPHOPBHVSA-N 321.376 3.675 0 40 DHAB C[C@H]1SCCN(Cc2nnc(-c3ccccc3Cl)o2)[C@@H]1C 71911154 PIMVHAPQPRLHEI-GHMZBOCLSA-N 323.849 3.716 0 40 DHAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(F)cc1 72228971 WDWAAISAQPFMMZ-UHFFFAOYSA-N 324.359 3.530 0 40 DHAB CC(C)C(=O)N1CC[C@@H](NCc2ccc3ccccc3c2)[C@H](C)C1 76057426 ZLHJIEDJGZYRTR-OXQOHEQNSA-N 324.468 3.822 0 40 DHAB C[C@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(F)cc1 80344831 RFTAIGSHRDHHFI-LLVKDONJSA-N 307.752 3.676 0 40 DHAB Cc1cc([C@@H](C)NC(=O)[C@H](c2ccccc2)n2cccn2)c(C)o1 84081607 QSIXXMMLRYMUKO-KDOFPFPSSA-N 323.396 3.560 0 40 DHAB CCS[C@@H]1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C1 89275036 RSZCZIPBVWMZRJ-NUEKZKHPSA-N 321.490 3.848 0 40 DHAB O=C(NCc1ccncc1)[C@@H]1C[C@H]1c1cccc2ccccc12 89873211 BSDZZDIITXMLDZ-RBUKOAKNSA-N 302.377 3.655 0 40 DHAB COC(OC)c1cc(Br)ccc1Br 90514816 APRXEDGYQLBOHU-UHFFFAOYSA-N 309.985 3.503 0 40 DHAB O=C(Nc1ccc2c(c1)COC2)N1CCC[C@H]1Cc1ccccc1 92164592 PRWQIZOEJPOQDP-IBGZPJMESA-N 322.408 3.956 0 40 DHAB CCOC(=O)c1cnc(-c2cccc(Br)c2)s1 95751700 BZOXFGQIQXEINR-UHFFFAOYSA-N 312.188 3.749 0 40 DHAB O=C(Nc1ccccc1N1CCCCCC1)c1cscn1 95947521 GEPAYGDOMBZUPG-UHFFFAOYSA-N 301.415 3.776 0 40 DHAB C[C@@H](Nc1ncnc2nn(C)cc12)c1ccc(C(F)(F)F)cc1 95973293 MMJFEHGGBMPSCE-SECBINFHSA-N 321.306 3.555 0 40 DHAB CC[C@@H](C(=O)NC[C@H](OC)c1ccccc1C)c1ccccc1 96104953 NOSDNPNNVYEAKY-MJGOQNOKSA-N 311.425 3.993 0 40 DHAB FC(F)(F)COc1ccc(Cl)cc1NCc1ncc[nH]1 96482768 NJHRRGAGOGGBHG-UHFFFAOYSA-N 305.687 3.616 0 40 DHAB CC(C)(C)OC(=O)N1CCc2cc(N[C@@H]3CCCOC3)ccc21 97038042 SVZKTYJLRJBYCD-OAHLLOKOSA-N 318.417 3.575 0 40 DHAB Cc1nc2[nH]cc(-c3ccccc3)c2c(=N)n1-c1ccccc1 104228171 LZFAALAOENLQGQ-UHFFFAOYSA-N 300.365 3.808 0 40 DHAB O=S(=O)(c1ccc2c3c(cccc13)CC2)N1CCCCCC1 109952413 YTBDSEXJSWNWLI-UHFFFAOYSA-N 315.438 3.503 0 40 DHAB COc1ccc(CC(=O)N[C@@H](C)CCc2ccccc2)cc1C 224520701 BWOSOYYNCIOQQA-INIZCTEOSA-N 311.425 3.684 0 40 DHAB COc1ccc(CCCNC(=S)Nc2cccc(C)c2)cc1 225555411 LIUONQHODQEPFR-UHFFFAOYSA-N 314.454 3.923 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)NC2CCCCC2)cc1C 225758360 VDCWIYRLRYFCTI-HNNXBMFYSA-N 304.434 3.703 0 40 DHAB COc1cccc(OC)c1CCC(=O)N[C@@H](C)c1ccccc1 225993761 GFUXUEGOZJTOBK-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2cc(Cl)c(C)cc2N)c1 226349633 CZOJLXYWUNKTLP-UHFFFAOYSA-N 320.776 3.500 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2c(N)cccc2Cl)c1 226359105 BILXBHDYIKUDMZ-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1c[nH]c([C@@H]2CCN(Cc3[nH]c4ccc(F)cc4c3C)C2)n1 257272603 NDASRKKRNNVFLP-CYBMUJFWSA-N 312.392 3.636 0 40 DHAB Cc1cccc(C)c1NC(=O)N1CCN(C)C[C@H]1c1ccccc1 582320592 IABPUPWATXOPNE-SFHVURJKSA-N 323.440 3.824 0 40 DHAB Cc1cc(F)ccc1-c1ccc(CN2CC[C@@H](N(C)C)C2)o1 585084573 BBPOUVFZZBLGDP-OAHLLOKOSA-N 302.393 3.530 0 40 DHAB COc1ccc2[nH]c(CN3CCC[C@H]3c3nc(C)cn3C)cc2c1 1848352243 OGRVKQWZZFZFQE-SFHVURJKSA-N 324.428 3.556 0 40 DHAB O=C(Cc1ccsc1)NCCc1ccc(-c2ccco2)s1 2087150041 LPFYJORNEDCICK-UHFFFAOYSA-N 317.435 3.971 0 40 DHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)CC1 172448 SSWUVVZTPRVDCS-UHFFFAOYSA-N 323.845 3.914 0 40 DHAB Cc1cc(C)nc(SCCC(=O)Nc2ccc(Cl)cc2)n1 386143 OCBFMXXVEPHBJW-UHFFFAOYSA-N 321.833 3.868 0 40 DHAB CCN(CC)Cc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 568237 GLYZMFIGHDSYFG-UHFFFAOYSA-N 323.651 3.837 0 40 DHAB Cc1ccsc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5110186 DXXDABNSQJYMER-UHFFFAOYSA-N 318.438 3.999 0 40 DHAB CCCN(CCC)S(=O)(=O)c1cc(Cl)ccc1Cl 5468265 NARPNDZJZDXZRZ-UHFFFAOYSA-N 310.246 3.804 0 40 DHAB C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N1CCCC1 5696612 XMKSAGCGRQFRHW-LLVKDONJSA-N 300.324 3.518 0 40 DHAB CC(C)Sc1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)o1 6564065 LJFHLPSWVZIZSH-SNVBAGLBSA-N 313.423 3.642 0 40 DHAB c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1 6618566 FIFVSWDSYAQNKG-UHFFFAOYSA-N 311.348 3.663 0 40 DHAB Cc1nc(SCC(=O)NCC(C)C)n(C2CCCCC2)c1C 6973317 HOUQCTXAFZCOQL-UHFFFAOYSA-N 323.506 3.869 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)cc1F 7405591 PHYQODSHSXMSEQ-CMDGGOBGSA-N 311.765 3.892 0 40 DHAB Cc1ccccc1CSCC(=O)N1CCc2ccccc2C1 8571113 OTEHGTKDTQCVKF-UHFFFAOYSA-N 311.450 3.813 0 40 DHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cc(C)ccc1C 8726479 VOBCVMOOHWFLLB-HNNXBMFYSA-N 320.392 3.757 0 40 DHAB O=C(NCCc1cccs1)C1(c2ccc(Cl)cc2)CC1 9156007 NOMFEACMCZQMFV-UHFFFAOYSA-N 305.830 3.792 0 40 DHAB COc1ccc(/C=C/c2nnc(NC(=O)C(C)(C)C)s2)cc1 9350556 PRCQJRZSHMMPFY-JXMROGBWSA-N 317.414 3.702 0 40 DHAB Cc1cc(C)cc(OCC(=O)N[C@H](c2ccccc2)C2CC2)c1 11207234 UCCWNZXKRFBFFW-HXUWFJFHSA-N 309.409 3.950 0 40 DHAB O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)cc1 12490118 OMDDSJSVZGDMGB-UHFFFAOYSA-N 313.788 3.510 0 40 DHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)C1CC1 12577038 OXRCNLDPHXPWEY-QMMMGPOBSA-N 322.767 3.971 0 40 DHAB O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccccn1 12599362 PRLKLNNDRLGSAK-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB CC(=O)N1CCc2ccc(NC(=O)CCCc3ccccc3)cc21 13695989 CUUREQUPWDHFIS-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB O=C(CSc1ccc2ccccc2c1)NCc1ccccn1 15434269 AGICHDGQFASGNC-UHFFFAOYSA-N 308.406 3.643 0 40 DHAB COc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 16110209 YYHFXOHQZKLQJH-HNNXBMFYSA-N 317.385 3.801 0 40 DHAB Nc1cc(NC(=O)COc2ccccc2Cl)ccc1Cl 19736470 NXGPYADLENCSPA-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB COCc1cccc(NC(=O)Cc2c(C)[nH]c3ccccc23)c1 25336174 MIQJHUNMIFXBLT-UHFFFAOYSA-N 308.381 3.804 0 40 DHAB O=C(Nc1ccn(Cc2ccccc2Cl)n1)C1CCCC1 28226826 TWGLLSOOVYXBOD-UHFFFAOYSA-N 303.793 3.714 0 40 DHAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)=O)c1 28853017 ZRMNGNAKZUVSPV-LBPRGKRZSA-N 324.380 3.531 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cn1 29247805 RDDORCPYEHUHOC-NSHDSACASA-N 308.303 3.900 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)N2CCCC(C)(C)C2)cc1 30872448 TYLWOTQEHHBICU-ZDUSSCGKSA-N 307.459 3.824 0 40 DHAB O=C(c1cc(-c2ccco2)on1)N1CCC(c2ccccc2)CC1 32367296 QWFPGLVWIKHQGF-UHFFFAOYSA-N 322.364 3.954 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](C)C[C@@H](C)C1 32870692 OWZRFNQQJWYJSP-BETUJISGSA-N 324.852 3.655 0 40 DHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)c1 34916280 RBAQTISNVDTOPN-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB Cc1ccc(CN(C)C(=O)COc2cc(C)cc(C)c2C)cc1 38756979 JEJVIIXSIRUOOW-UHFFFAOYSA-N 311.425 3.958 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1O 44894125 OSYNWWUJTWWXCJ-JTQLQIEISA-N 324.302 3.605 0 40 DHAB COc1ccc2nc(C)c(C(=O)NCCc3ccccc3)cc2c1 45652472 QSWHUSSRJVKCCB-UHFFFAOYSA-N 320.392 3.524 0 40 DHAB Fc1ccccc1-c1nnc([C@H]2CCN(C3CCCCC3)C2)o1 49170532 YZTFCVVGTKCHQO-ZDUSSCGKSA-N 315.392 3.998 0 40 DHAB biogenic,in-vitro CC(C)Oc1ccc(NC(=O)COc2ccc(F)cc2)cc1 49227030 QPQNNXAXAWLPRW-UHFFFAOYSA-N 303.333 3.630 0 40 DHAB CCOC(=O)CCCN1CCC[C@@H]1c1ccc(OCC)cc1 57626561 MXKMBOKOUCGVTP-QGZVFWFLSA-N 305.418 3.566 0 40 DHAB O=C(NCCCCc1nccs1)Nc1ccc(F)cc1F 65515268 DRVFKUINLBGVEO-UHFFFAOYSA-N 311.357 3.566 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)c1 69430598 BKGJAQIGAWSMPG-AWEZNQCLSA-N 311.381 3.566 0 40 DHAB O=C(CN1CCC[C@@H]1C1CCCCC1)Nc1ccc(Cl)cn1 71812725 ZDKBBAHFDXOFBD-OAHLLOKOSA-N 321.852 3.718 0 40 DHAB Fc1cccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)c1 72355497 BZYKBGZWFIIRAX-SFHVURJKSA-N 322.387 3.744 0 40 DHAB CCCCNC(=O)CSCc1ccc(Br)cc1 72645603 IUYZAIQOHIQWLP-UHFFFAOYSA-N 316.264 3.599 0 40 DHAB CC[C@H](C)NC(=O)NC[C@H](CC(C)C)N[C@@H](C)c1ccccc1 78822618 PRMXUEOOCRAFFI-BQFCYCMXSA-N 319.493 3.850 0 40 DHAB Cc1cnoc1C(=O)Nc1cc(Cc2ccccc2)ccc1O 79094883 HLFPMCOFNZYNMD-UHFFFAOYSA-N 308.337 3.532 0 40 DHAB CC(C)n1nccc1NC(=O)N(Cc1ccccc1)CC(F)F 86154264 LKBLTQROZXZKBL-UHFFFAOYSA-N 322.359 3.763 0 40 DHAB Cc1ncsc1CNc1ccccc1N1C[C@H](C)O[C@H](C)C1 95448627 DSPZKZWXIBFSFV-BETUJISGSA-N 317.458 3.677 0 40 DHAB C[C@H](NC[C@H]1Cc2ccccc2O1)c1ccc2ccccc2n1 95967212 FRBYESYGQUPTHL-WMLDXEAASA-N 304.393 3.889 0 40 DHAB C[C@@H](CN(C)C(=O)NC[C@@H](C)c1cccs1)c1nccs1 96009955 LVGXIDFNMZOWIS-NEPJUHHUSA-N 323.487 3.753 0 40 DHAB COc1ccccc1[C@H](CNC(=O)Nc1ccccc1C)OC 96385307 VFWMQTLAFXTQDR-KRWDZBQOSA-N 314.385 3.513 0 40 DHAB COc1ccccc1[C@H](C)CNC(=O)c1ccc(SC)o1 96405691 LKEWREYGYCQTIK-LLVKDONJSA-N 305.399 3.544 0 40 DHAB COC[C@@H]1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 97370784 UCOCJVHBLNVXPH-ROKHWSDSSA-N 321.383 3.630 0 40 DHAB O=C(NC[C@@H]1SCCc2ccccc21)[C@H]1C[C@H]1c1ccco1 107150865 VQMULJVTZUGLAK-VYDXJSESSA-N 313.422 3.530 0 40 DHAB C[C@H](Nc1cnn(CC(F)(F)F)c1)c1nc2ccccc2o1 126220548 FWKDZKPQEJIYKT-VIFPVBQESA-N 310.279 3.760 0 40 DHAB CCc1ccc(CN[C@@H](Cc2nccn2C)c2ccccc2)o1 195539746 KJGQXTDEMBWLEA-SFHVURJKSA-N 309.413 3.649 0 40 DHAB c1ccc2c(N3CCN(CC4CCCCC4)CC3)nsc2c1 203878297 SCAWCJPKPKHJQE-UHFFFAOYSA-N 315.486 3.999 0 40 DHAB CCc1ccc(CC(=O)n2cc(C(=O)OC)c3ccccc32)cc1 222646904 TXKGCCPTIYFULW-UHFFFAOYSA-N 321.376 3.873 0 40 DHAB COCCNCc1cc(C)n(Cc2ccccc2Cl)c1C 223664236 CWMAEPDENJGPIZ-UHFFFAOYSA-N 306.837 3.543 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NCC2=CCCCC2)cc1 224338936 VOKYDILUFKYMSN-ZDUSSCGKSA-N 305.443 3.792 0 40 DHAB C[C@@H](CCc1ccccc1)Nc1ccc(N)cc1C(=O)NC1CC1 225496034 ZCLFSPYOUJFKAR-AWEZNQCLSA-N 323.440 3.594 0 40 DHAB CC[C@@H](CNC(=S)Nc1cccc(C)n1)Cc1ccccc1 225633844 BXVQXPZPSTYTHN-OAHLLOKOSA-N 313.470 3.945 0 40 DHAB Cc1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C 226275777 RLCXKSYGYIXPEU-LLVKDONJSA-N 300.324 3.875 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1ccccc1F 257217396 CYTIWEVFFIFDSC-MRXNPFEDSA-N 315.392 3.544 0 40 DHAB O=C(N[C@@H]1CCC[C@@H](F)C1)[C@@H]1CCN(c2ccccc2Cl)C1 582063975 OAVBZJCZSYUIMG-MGPQQGTHSA-N 324.827 3.563 0 40 DHAB Cc1c[nH]c2ccc(NC(=O)N3CC[C@]4(CCCOC4)C3)cc12 952994882 XUXFXFUKNLOQPH-GOSISDBHSA-N 313.401 3.511 0 40 DHAB Cc1ccc([C@@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 222168 CULKHJRCHPFENE-DLBZAZTESA-N 308.360 3.872 0 40 DHAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1 298348 YYXQPLJVZSQAJR-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB Cc1ccc2cc3c(NC(=O)c4cccs4)nn(C)c3nc2c1 2451455 UHWSJRVIQHEMQJ-UHFFFAOYSA-N 322.393 3.744 0 40 DHAB CC[C@H]1CCCCN1C(=O)COc1cccc2c1OC(C)(C)C2 2641592 IUVQDLIBHBRHPN-HNNXBMFYSA-N 317.429 3.570 0 40 DHAB CC[C@H](C(=O)OCC(=O)c1ccc(F)cc1)c1ccccc1 3228154 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COC(=O)c1cn([C@H](C)C(=O)Nc2ccccc2)c2ccccc12 6958076 NGFVFZRPHRBGJS-CYBMUJFWSA-N 322.364 3.628 0 40 DHAB CC(=O)c1cccc(NC(=O)Cn2c(C)cc3ccccc32)c1 6964440 ZTUDHLMTHJTHHF-UHFFFAOYSA-N 306.365 3.791 0 40 DHAB CCc1cccc(NC(=O)c2cncn2-c2ccc(F)cc2)c1 7281807 HVEQKSUGOJIXFM-UHFFFAOYSA-N 309.344 3.826 0 40 DHAB CCCc1n[nH]c(=S)n1NC/C=C/c1ccc(Cl)cc1 7602371 DIRSGXLDEVLTSS-HWKANZROSA-N 308.838 3.803 0 40 DHAB O=C(Nc1ccccc1)c1ccc(Cl)cc1N1CCCC1=O 7755617 NRSHZEZMVVEKKA-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NCC2CCCCC2)cc1 7790382 YEVJNOHOBRSKBS-CYBMUJFWSA-N 307.459 3.872 0 40 DHAB CCc1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 8202928 VDJHBUUUKISBOF-UHFFFAOYSA-N 313.213 3.505 0 40 DHAB CCOc1cc(CNC(C)(C)C)cc(Br)c1OC 8253574 YPXWCTVEKZECKG-UHFFFAOYSA-N 316.239 3.745 0 40 DHAB Cc1ccc(-n2nnnc2SCc2ccc(F)cc2)c(C)c1 8491637 MCXGIZZRTJJGMX-UHFFFAOYSA-N 314.389 3.711 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccccc3)no2)c1 9135082 RYBNLPMZKOOUGM-UHFFFAOYSA-N 322.364 3.976 0 40 DHAB CC(C)CCNC(=O)NCCOc1ccc2ccccc2c1 9532393 WWBAMFGWXUUVID-UHFFFAOYSA-N 300.402 3.564 0 40 DHAB c1ccc2oc(CSc3nnc(NC4CC4)s3)nc2c1 9603596 PMYGEIALFYQRKK-UHFFFAOYSA-N 304.400 3.546 0 40 DHAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccoc1 10322320 ZMPFKPLDMSWNFA-UHFFFAOYSA-N 303.321 3.847 0 40 DHAB CC(=O)Nc1cccc(C(=O)OCc2ccc(F)cc2Cl)c1 10584929 KJKDQLKGZPNIQL-UHFFFAOYSA-N 321.735 3.795 0 40 DHAB CCOC(=O)CSc1nccc(-c2ccc3ccccc3c2)n1 12395046 RZSQHCHMJBDWKH-UHFFFAOYSA-N 324.405 3.952 0 40 DHAB COc1ccc2nc(NC(=O)Cc3ccccc3C)sc2c1 12869313 CHAYKWQMWZWEHX-UHFFFAOYSA-N 312.394 3.795 0 40 DHAB CCOc1cc2c(cc1NC(=O)C[C@H]1C=CCC1)O[C@H](C)C2 13022857 WQUSJJGPZRPMTD-OLZOCXBDSA-N 301.386 3.704 0 40 DHAB Cc1ccc(SCCNC(=O)CSc2ccccc2)cc1 14803662 XMOFCLVEDPPBIO-UHFFFAOYSA-N 317.479 3.996 0 40 DHAB COc1ccc(NC(=O)CCCc2cccs2)cc1OC 15011973 UCRBOMDBLYXREF-UHFFFAOYSA-N 305.399 3.727 0 40 DHAB COc1cc(OC)cc(C(=O)Sc2nc3ccccc3[nH]2)c1 16194910 OHAMGVOLHZQRBQ-UHFFFAOYSA-N 314.366 3.513 0 40 DHAB Fc1ccc(COc2ccccc2CNC[C@H]2CCCO2)cc1 16449638 CCVZNTNGGAYUMJ-GOSISDBHSA-N 315.388 3.673 0 40 DHAB CCCOc1ccc(C(=O)NCCOc2cccc(C)c2)cc1 18147359 YAXFYHYTCRWPQC-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736473 ABNSYQWNMYEXSM-LLVKDONJSA-N 304.777 3.637 0 40 DHAB Clc1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 19788192 IMWQSUXPHZJAIV-LZLYRXPVSA-N 304.865 3.646 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1 20494421 FMVFDMJSBKGVDO-INIZCTEOSA-N 311.425 3.765 0 40 DHAB COc1ccc(-c2csc(NC(=O)C3CCC3)n2)c(OC)c1 21194927 LCSQDMAWDLXMER-UHFFFAOYSA-N 318.398 3.566 0 40 DHAB COCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 22845277 GGSLLBSTIQWRBR-UHFFFAOYSA-N 314.366 3.674 0 40 DHAB C[C@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 24263189 OFXMPMDHQPPXEK-QUZONKQVSA-N 301.430 3.633 0 40 DHAB Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 27793171 GHEHQBHESAZOPN-FQEVSTJZSA-N 322.452 3.870 0 40 DHAB O=C(NCCOc1ccc2ccccc2c1)c1cc(Cl)c[nH]1 32788061 DILUVAILZLHNPB-UHFFFAOYSA-N 314.772 3.630 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c(C)c1 32899075 QLTDDTGRIIKFQN-UHFFFAOYSA-N 324.424 3.828 0 40 DHAB CCOC(=O)C(=O)[C@H](Cc1ccccc1)Sc1ccccc1 35995248 OAULQTBVHOENGR-INIZCTEOSA-N 314.406 3.522 0 40 DHAB CC(C)[C@@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc(F)cc1 40020150 OZRVVVJFFFLTPJ-KBXCAEBGSA-N 306.425 3.513 0 40 DHAB CN(C(=O)CCc1nnc(-c2ccsc2)o1)C1CCCCC1 40490357 IZWJDKDTJKZENE-UHFFFAOYSA-N 319.430 3.522 0 40 DHAB CC[C@H](C)NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 45819317 KMJFXNJRZRRQJY-ZDUSSCGKSA-N 315.417 3.707 0 40 DHAB Cc1ccc(C[C@H]2CCCN(C(=O)NCc3ccncc3)C2)cc1 51675321 HTYDJGJTTKNMFX-LJQANCHMSA-N 323.440 3.554 0 40 DHAB O=C(NC1CCCCC1)N[C@H]1CCSc2ccc(F)cc21 52816755 VFNFSBWJNCVEEL-AWEZNQCLSA-N 308.422 3.995 0 40 DHAB Cc1ccc(C2=CCN(C(=O)CCc3c(C)noc3C)CC2)cc1 53376597 SJXKGCMCRNPZSQ-UHFFFAOYSA-N 324.424 3.848 0 40 DHAB COc1ccc(F)c([C@H]2NCc3ccccc3-n3cccc32)c1 55142396 BOSLITYUWGCIPJ-LJQANCHMSA-N 308.356 3.818 0 40 DHAB O=C(c1cnc2ccccc2n1)N1CCC[C@H]1c1cccs1 58290672 UWEVCNSPEDBKGA-HNNXBMFYSA-N 309.394 3.669 0 40 DHAB C[C@H](N[C@H](C)c1nccn1C)c1ccccc1Br 70443972 RREYNVYAISWYOC-WDEREUQCSA-N 308.223 3.594 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)N(C)[C@H](C)CSC 77182103 UJZZDPIHJPSFCW-SNVBAGLBSA-N 316.854 3.872 0 40 DHAB Cc1cc([C@@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n[nH]1 78902450 GWIQZGRIQKPCJF-DLBZAZTESA-N 323.440 3.544 0 40 DHAB Cc1cccn2cc(C[S@@](=O)Cc3ccc(Cl)s3)nc12 83944380 XASSPWHNCZZMKR-FQEVSTJZSA-N 324.858 3.807 0 40 DHAB CC[C@H](NCc1cc[nH]c1)[C@@H](O)c1ccc(C(F)(F)F)cc1 86254345 KWSDZVXVSHIWKR-GJZGRUSLSA-N 312.335 3.635 0 40 DHAB CC(=O)Nc1cc(NCc2cc(F)c(F)cc2F)ccc1F 89785119 GUGSDUFCLRQVOM-UHFFFAOYSA-N 312.266 3.814 0 40 DHAB O=C1C[C@H](c2nc(C3CCCC3)no2)CN1C1CCCCCC1 89818885 AMCBUSRZEDNKMJ-AWEZNQCLSA-N 317.433 3.766 0 40 DHAB C[C@@H](O)CNc1ncnc2cc(-c3ccc(Cl)cc3)sc12 89901366 BGUZVFMKLMAJPK-SECBINFHSA-N 319.817 3.804 0 40 DHAB CNc1snc(C)c1C(=O)N1CCC[C@H](CCC(C)C)C1 95966287 DDOOOXKONOLDDG-CYBMUJFWSA-N 309.479 3.782 0 40 DHAB CC(C)(Cc1cccc(Cl)c1)c1nc([C@H]2CCOC2)no1 96462708 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Cc1ccc(Cl)cc1C[C@@H](OCc1ccccc1)C(=O)O 225078984 SQCZFQQFPHTWAK-MRXNPFEDSA-N 304.773 3.861 0 40 DHAB CC(C)Oc1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 225324134 BLKFJZSTOWRFQX-ZENOOKHLSA-N 304.459 3.949 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(CC)OC)c2cccnc12 225882694 BNMJCWMDHJNQMC-SFHVURJKSA-N 316.401 3.777 0 40 DHAB Cc1c(Cl)cccc1-c1nn2c(C(F)(F)F)nnc2s1 226293738 YTCHBWSQUALAAD-UHFFFAOYSA-N 318.711 3.833 0 40 DHAB CCCC[C@@H](C(=O)c1ccc(OC)c(OC)c1)N1CCCC1 299817180 KAWWDIAYCGMAPE-HNNXBMFYSA-N 305.418 3.541 0 40 DHAB in-vitro CCC(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 1065864 ICSMRKAGSBPFOC-HNNXBMFYSA-N 322.408 3.613 0 40 DHAB O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccccc1O 1415157 VWDYLRQMEQBXAV-UHFFFAOYSA-N 310.378 3.697 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 1475842 ZCFFHUFCOKRLKD-KRWDZBQOSA-N 305.462 3.814 0 40 DHAB CCOC(=O)CCCCC(=O)c1ccccc1Br 2567568 CEZMIKCSMXHIIB-UHFFFAOYSA-N 313.191 3.755 0 40 DHAB COc1cc(-c2cc(OC)c(N)cc2Cl)c(Cl)cc1N 2572223 NRLUQVLHGAVXQB-UHFFFAOYSA-N 313.184 3.842 0 40 DHAB CCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 5615008 VCNJGXHPMSMXOB-UHFFFAOYSA-N 305.399 3.557 0 40 DHAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(F)cc1 5642468 CJLIKPYVFMNATK-NSHDSACASA-N 311.312 3.585 0 40 DHAB CC[C@@H](OC[C@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1 6356109 QPXDBTYBCYZQBM-PWIZWCRZSA-N 313.441 3.866 0 40 DHAB C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(Cl)cc1 7644599 FBUMLMNGCUSPAO-NSHDSACASA-N 307.752 3.735 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)OCCO3)c(Cl)c1 7975900 WUAHLTODDWMHMC-UHFFFAOYSA-N 317.772 3.980 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N2CCc3ccccc3C2)cc1C 8050620 AHFXZAQOXYEAKA-MRXNPFEDSA-N 309.409 3.656 0 40 DHAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccccc1Cl)C2 8367585 RHVDGEFJRHYSSM-UHFFFAOYSA-N 314.816 3.911 0 40 DHAB Cc1cccc(NC(=O)NCCCn2cnc3ccccc32)c1 9322514 FTWYMUSFAZNACQ-UHFFFAOYSA-N 308.385 3.557 0 40 DHAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)CC 11614076 GYZFHOVWSLCVJZ-CQSZACIVSA-N 313.463 3.559 0 40 DHAB CC(C)n1c([C@@H](C)NC(=O)C2CCCCC2)nc2cccnc21 12220598 VHTZUJDTQBDCCB-CYBMUJFWSA-N 314.433 3.770 0 40 DHAB Brc1ccnc(-c2ccc(Br)nc2)c1 12359459 CANAGWONSFPODO-UHFFFAOYSA-N 313.980 3.669 0 40 DHAB O=P(O)(O)[C@H](Nc1ccc2c(c1)CCC2)c1ccsc1 12523581 AGMLEJKHHSILQD-AWEZNQCLSA-N 309.327 3.525 0 40 DHAB COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 12676627 VTEDKHOLAQXKLU-LIRRHRJNSA-N 324.424 3.763 0 40 DHAB Fc1ccccc1NC(=S)N1CCC[C@H](C(F)(F)F)C1 16316589 XCRQRLBSJLXVLW-VIFPVBQESA-N 306.328 3.797 0 40 DHAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cn1 16699634 ALBBTCTXIPQMGQ-UHFFFAOYSA-N 318.376 3.610 0 40 DHAB O=C1C[C@H](c2ccc(F)cc2)CC2=N[C@H]3CCCC[C@H]3NC=C12 17032471 RZOWRGHYBQRJHU-XYPHTWIQSA-N 312.388 3.512 0 40 DHAB CCCN(C[C@H](C)O)C(=O)Nc1ccc(Cl)c(Cl)c1 19691512 SSXDUPPVZCWVKC-VIFPVBQESA-N 305.205 3.618 0 40 DHAB O=C(NCc1cccc(F)c1)c1ccc(Br)cc1 20369840 GOQPLRRFXNIBGR-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc[nH]1 28633011 MSPZCCSRCUSBIF-UHFFFAOYSA-N 319.360 3.573 0 40 DHAB Cc1cccc(-n2ncc(C(=O)N[C@H](C)c3ccccc3)c2C)c1 29462749 CDWXKHYQVOSJFO-OAHLLOKOSA-N 319.408 3.980 0 40 DHAB CC(=O)Nc1ccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)cc1 30662031 INLZZKNSPOOZFG-CABCVRRESA-N 314.351 3.856 0 40 DHAB Cc1ccc(-c2nc(C(=O)Nc3ncc(C)s3)cs2)o1 31228203 RMOMAVCMQPAADU-UHFFFAOYSA-N 305.384 3.729 0 40 DHAB O=C(Nc1ccccc1F)c1ccc2[nH]c(C(F)(F)F)nc2c1 32501681 OBCNCRIIQNPBLE-UHFFFAOYSA-N 323.249 3.973 0 40 DHAB Cc1cc(-n2cnnc2)cc(-c2nc3ccccc3s2)c1O 45920565 YBTYRULUFIZWJG-UHFFFAOYSA-N 308.366 3.558 0 40 DHAB Cc1cc(NC(=O)CCN(C)[C@@H](C)c2ccccc2Cl)no1 51425946 LCBOMKXTGVWVNG-LBPRGKRZSA-N 321.808 3.658 0 40 DHAB COc1cc(C)cc2c1OCC[C@@H]2NC(=O)Nc1ccccc1 60358437 MZLPEZKULPOAJD-HNNXBMFYSA-N 312.369 3.649 0 40 DHAB Cc1ccccc1NC1CCN(C(=O)Nc2nccs2)CC1 65521529 VREXTJCMAXMIDQ-UHFFFAOYSA-N 316.430 3.560 0 40 DHAB Cc1ccc(COC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 67244989 SDFRBDXMQKTJGM-INIZCTEOSA-N 313.372 3.704 0 40 DHAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3CC(C)(C)C)n2)cc1 67898679 UQMXOAOHPQFRNU-KRWDZBQOSA-N 313.445 3.805 0 40 DHAB biogenic,in-vitro CCn1c(CSc2nncn2C(C)C)nc2c(F)cccc21 69445081 DJIVUBQPNDLFBT-UHFFFAOYSA-N 319.409 3.660 0 40 DHAB C[C@](O)(CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccco1 75156238 URWPVFPKTDOXIN-FQEVSTJZSA-N 321.376 3.584 0 40 DHAB c1ccc(CCN2CC[C@H](NCC3(c4ccccc4)CC3)C2)cc1 78998903 BQLJQGFSQWFRLY-NRFANRHFSA-N 320.480 3.625 0 40 DHAB CO[C@@H](C(=O)Nc1cc(C(C)=O)ccc1Cl)c1ccccc1 83843706 GAIBZBGKYZZIPQ-MRXNPFEDSA-N 317.772 3.869 0 40 DHAB CC(=O)Nc1cc(C(=O)N(C2CCCC2)C2CC2)ccc1C 84185574 OZQJPNLYKQZXIR-UHFFFAOYSA-N 300.402 3.501 0 40 DHAB C[C@@H]1NC(=O)O[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 90733400 OHIDCVTXTYVGRO-SSDLBLMSSA-N 313.197 3.894 0 40 DHAB CC(C)(C)c1cn2c(n1)[C@H](CNC1CCSCC1)CCC2 95402079 MFDLTWPUWFQTQF-ZDUSSCGKSA-N 307.507 3.543 0 40 DHAB C[C@@H](NCCCn1ccnc1)c1nc(-c2ccccc2)cs1 95419105 UVEPHHNWSUNNCS-CQSZACIVSA-N 312.442 3.748 0 40 DHAB O=C(NC[C@H]1CCCO1)c1ccc(Oc2ccccc2Cl)o1 96183864 CYBHRVFGRVSSRP-LLVKDONJSA-N 321.760 3.634 0 40 DHAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2Cc2ccncc2)c1 100728905 BBTRJBRIOVGVLB-MBOZVWFJSA-N 324.424 3.522 0 40 DHAB C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)N1Cc1ccccc1 169616762 IBDBUXNMQVARBX-INMHGKMJSA-N 318.461 3.953 0 40 DHAB CN(Cc1ccncc1)Cc1csc(-c2cccs2)n1 195562014 KAKWSMMHPIOLOO-UHFFFAOYSA-N 301.440 3.899 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)NCCc1ccc(F)cc1 224418635 WRNUHQNVLOOYNR-CQSZACIVSA-N 315.388 3.514 0 40 DHAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1ccccc1Cl 225423229 WUCGFJLUHWTVKK-UHFFFAOYSA-N 315.804 3.902 0 40 DHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c2ncccc12 225886255 SLDJWMKPZVWXGL-SFHVURJKSA-N 316.401 3.777 0 40 DHAB Cc1nc2c(s1)[C@@H](N(C)Cc1ccsc1C(=O)O)CCC2 569229110 HPSRNSGFRVVTHK-LBPRGKRZSA-N 322.455 3.721 0 40 DHAB O=C(c1cccc2ccccc12)N1CCCN(C2CCC2)CC1 828176581 VMABACFPRWZPGU-UHFFFAOYSA-N 308.425 3.540 0 40 DHAB COc1ccc([C@H]2OC(=O)C3(CCCCC3)C(=O)C2(C)C)cc1 82509 BGDJFYJNEWNEEI-OAHLLOKOSA-N 316.397 3.839 0 40 DHAB CC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 134120 YTCKWXQUTALFJI-UHFFFAOYSA-N 301.198 3.999 0 40 DHAB Cc1cc(C)n2cc(CSc3nc4ccccc4o3)nc2n1 197322 SYHPTQKABXAEFO-UHFFFAOYSA-N 310.382 3.780 0 40 DHAB Fc1ccccc1[C@H]1C[C@H](c2cccs2)Nc2ncnn21 221829 IBZIVOPVAKSJKU-CHWSQXEVSA-N 300.362 3.625 0 40 DHAB COc1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 267966 BVPWBDQBJOPOOX-UHFFFAOYSA-N 322.147 3.803 0 40 DHAB CC(C)(C)NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 313635 JKDWQXSUAYEOCD-OUKQBFOZSA-N 322.408 3.867 0 40 DHAB CCSc1nnc(NC(=O)/C=C/c2ccc(C)cc2)s1 484086 VGADBXCDXXOQRR-CMDGGOBGSA-N 305.428 3.610 0 40 DHAB Cc1ccc(CSc2nnc(-c3ccccc3C)n2N)cc1 530332 ZCYBULWVSMWOJH-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB Cc1c(C)n(C[C@H](O)CN[C@@H](C)c2ccccc2)c2ccccc12 811131 RJMNRFYYYWPFQK-QFBILLFUSA-N 322.452 3.970 0 40 DHAB NNc1nc(Cl)c(Cl)c(SC(F)(F)F)c1Cl 1059829 YPYUIUSMCGXMCP-UHFFFAOYSA-N 312.531 3.939 0 40 DHAB O=C1N2c3ccccc3Sc3cccc(c32)[C@]1(O)C(F)(F)F 2349752 VXAPLOXEECSETK-CQSZACIVSA-N 323.295 3.579 0 40 DHAB Cc1cccc(NC(=S)NC[C@@H](c2ccccc2)N(C)C)c1 2645324 RWKUVLRNTJXXHU-KRWDZBQOSA-N 313.470 3.584 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 3442458 JTLWOQGWXDSTLU-QGZVFWFLSA-N 315.438 3.659 0 40 DHAB COc1ccccc1CC(=O)Nc1nc2ccc(F)cc2s1 3524271 VYWBPDVFCVAPFK-UHFFFAOYSA-N 316.357 3.625 0 40 DHAB CCC[C@@H](C)C(=O)Nc1nnc(CCc2ccccc2)s1 4696306 ILWHSMLMTCLYGC-GFCCVEGCSA-N 303.431 3.698 0 40 DHAB O=C(/C=C/c1ccco1)OCC(=O)C12CC3CC(CC(C3)C1)C2 5113135 FYKWPXMJXUWYDA-ONEGZZNKSA-N 314.381 3.622 0 40 DHAB Cc1ccc(S(=O)(=O)[C@]23N=NC(C)(C)[C@H]2[C@H]2CC[C@@H]3C2)cc1 5766445 IPYMFJUSQDLQNW-SHFYGJNESA-N 318.442 3.756 0 40 DHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NC1CCCCC1 6284958 KUCXLTVQCVLNGY-NSHDSACASA-N 310.825 3.598 0 40 DHAB N=C1S/C(=C\C=C\c2ccccc2)C(=O)N1c1nccs1 6550537 VDNYCBVAYPMJER-IPEQWCJXSA-N 313.407 3.755 0 40 DHAB CCn1c(SCc2cn3ccccc3n2)nc2ccccc21 6972446 WGPZZSAOFDMIKC-UHFFFAOYSA-N 308.410 3.996 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccc(F)c(F)c2)N1C1CC1 7088342 LYHCGKSPAPWZHS-INIZCTEOSA-N 300.308 3.694 0 40 DHAB Cc1occc1-c1nnc(SCC(=O)c2cccs2)o1 7196035 IPDPHSXVFUCDNS-UHFFFAOYSA-N 306.368 3.675 0 40 DHAB O=C(NC1CCCCC1)c1ccc(F)cc1Br 7916550 RUUJRHNDSOATJI-UHFFFAOYSA-N 300.171 3.651 0 40 DHAB Cc1c(Cl)cccc1/N=C/c1ccccc1OCC(=O)O 8278062 QEEIZHAEVPTTNM-GIJQJNRQSA-N 303.745 3.862 0 40 DHAB O=C(CCC(=O)c1cccs1)OCc1nc2ccccc2o1 8447653 ZOQGWAZNPUDHHP-UHFFFAOYSA-N 315.350 3.596 0 40 DHAB CC(=O)Oc1cccc(-c2csc(-n3nc(C)cc3C)n2)c1 8755815 VBDGCAUMGFACKA-UHFFFAOYSA-N 313.382 3.538 0 40 DHAB O=C1C[C@@H](c2cccc(F)c2)c2c(-c3ccccc3)n[nH]c2N1 9109993 ZQRBESWKWMHVAH-AWEZNQCLSA-N 307.328 3.690 0 40 DHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccnc1 9690006 HMDLJRPCMHOZPW-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB O=C1C[C@@H](C(=O)Nc2cc(Cl)ccc2F)c2ccccc2N1 9734781 MUMHPRCHCRYHHT-LLVKDONJSA-N 318.735 3.544 0 40 DHAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1 10339812 TWZOCONODCUIJH-IBGZPJMESA-N 322.408 3.665 0 40 DHAB CC(=O)N1CCCc2ccc(NC(=O)C3CCCCC3)cc21 12342531 AEPQTMYBPXTKMP-UHFFFAOYSA-N 300.402 3.505 0 40 DHAB Cc1cn2c([nH]1)c(-c1nc3ccccc3[nH]1)c(=O)c1ccccc12 12535223 KGHFLLCWMPQPRX-UHFFFAOYSA-N 314.348 3.633 0 40 DHAB O=C(NCCCOC1CCCCC1)c1cccc2ncccc12 12635312 QCYKMCJWJYTCBK-UHFFFAOYSA-N 312.413 3.704 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc3oc(C)nc3c2)c(C)c1 12748884 JRVJPGSEHJRIBO-UHFFFAOYSA-N 310.353 3.771 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3ccc(F)cc3F)cnc21 12995114 YUVPJSAEKHXEKP-UHFFFAOYSA-N 316.311 3.543 0 40 DHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1cc(F)cc(F)c1 16305170 WVEZGTWLGXMIFA-UHFFFAOYSA-N 307.271 3.706 0 40 DHAB Cc1ccc2ccccc2c1Cc1c(C=O)nc(=S)[nH]c1O 16977795 RJCWBUMCOQQVDG-UHFFFAOYSA-N 310.378 3.710 0 40 DHAB COc1ccc(SCC(=O)Nc2ccc(F)cc2)cc1OC 20481991 KYUMWVMQWBDGPA-UHFFFAOYSA-N 321.373 3.574 0 40 DHAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1OC 21695714 MEFVCXZXYFLQSY-UHFFFAOYSA-N 315.344 3.513 0 40 DHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)[C@H]1C[C@H]1c1ccccc1 28241548 NQSXAYZPFURSDY-HOTGVXAUSA-N 303.365 3.819 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCCCCC1 28297075 OMGZEVTXRRUVFX-GOSISDBHSA-N 314.473 3.803 0 40 DHAB c1ccc(C(NCc2nc(C3CC3)no2)c2ccccc2)cc1 29450073 GIGKSCDQWSYMAV-UHFFFAOYSA-N 305.381 3.826 0 40 DHAB Cc1ccc(-c2nnc(COc3cccc4c3CCC4=O)o2)cc1 31609740 WUGLUOONPMKPJZ-UHFFFAOYSA-N 320.348 3.753 0 40 DHAB O=C(CCc1cccs1)Nc1cccc(Cn2cccn2)c1 32467527 HDPVRUNYLWYPRE-UHFFFAOYSA-N 311.410 3.564 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cncc(Cl)c2)cc1 32611422 ZMQPXFUVSROIBC-UHFFFAOYSA-N 324.833 3.833 0 40 DHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 32879136 LSERJOHUJSLXGN-UHFFFAOYSA-N 317.392 3.860 0 40 DHAB Cc1ccccc1[C@H](C)NCc1ccc(-n2cncn2)c(F)c1 32900920 ARIJHOMXFVDGHR-AWEZNQCLSA-N 310.376 3.566 0 40 DHAB COc1ccc(OC)c(C(=O)c2ccc(Br)cc2)c1 37353851 LTICLSFXJMJKNE-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB C[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 42646542 VAVQTVCVJGZSJZ-CQSZACIVSA-N 324.424 3.800 0 40 DHAB CSc1ccc(C(=O)c2cccc(C3OCCO3)c2)cc1 43212535 TYRMRSRSJRMBRV-UHFFFAOYSA-N 300.379 3.685 0 40 DHAB COc1cc(C)c(NC(=O)N2CCCCCCC2)cc1OC 43405445 BGICTEXPXLOEOE-UHFFFAOYSA-N 306.406 3.810 0 40 DHAB Fc1ccc2[nH]c([C@H]3CCN(Cc4cccs4)C3)nc2c1 49169018 NQNSMTDJAXOAPR-NSHDSACASA-N 301.390 3.753 0 40 DHAB biogenic,in-vitro Cc1cccc(Oc2ncccc2NC(=O)c2cnccn2)c1C 54347694 MCOQKWIEWKNLAF-UHFFFAOYSA-N 320.352 3.533 0 40 DHAB CC(C)(C)c1noc(C[S@](=O)[C@H]2CCCc3ccccc32)n1 58379987 BNGHZQJEYUFAJC-RCDICMHDSA-N 318.442 3.693 0 40 DHAB Cc1c([C@H](C)NCc2cccnc2)cnn1-c1ccc(F)cc1 62420791 TWXRHQPVISYILP-ZDUSSCGKSA-N 310.376 3.566 0 40 DHAB CCn1c(CN(C)Cc2cnc(C)s2)nc2cc(F)ccc21 69533185 BCQNQPAYJYOCRK-UHFFFAOYSA-N 318.421 3.592 0 40 DHAB CCCCCC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 71908765 JSFKKCXDYRHIPY-IBGZPJMESA-N 301.839 3.737 0 40 DHAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc[nH]n1 78796508 AHXQUVIUKZTPHW-UHFFFAOYSA-N 310.338 3.532 0 40 DHAB CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC/C=C/c1ccccc1 84736229 KHGINXKUQOGREB-GWDHXLPESA-N 314.473 3.573 0 40 DHAB CC(=O)Nc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 91681914 RDHCKCMQHQQXGN-UHFFFAOYSA-N 324.424 3.688 0 40 DHAB O=C(Cc1cccc(F)c1F)Nc1c(F)cccc1NC1CC1 95413004 ZHNXTWPLIUSABO-UHFFFAOYSA-N 320.314 3.859 0 40 DHAB Cc1[nH]c(-c2cnn(-c3ccccc3)n2)nc1-c1ccccc1 95468298 WZJAGHGJYDYOLG-UHFFFAOYSA-N 301.353 3.633 0 40 DHAB C[C@H]1CN(c2ccc(Br)cc2Cl)C[C@H](C)O1 95915824 WGLIRYCILMKXIC-IUCAKERBSA-N 304.615 3.716 0 40 DHAB CCCCn1cnc2c(c(C)c(C)n2-c2ccc(OC)cc2)c1=N 101409875 QLTLDCVDNQYGHX-UHFFFAOYSA-N 324.428 3.732 0 40 DHAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N(Cc1nccn1C(F)F)C1CC1 105430754 JIOSXHAYTZXQQE-UPJWGTAASA-N 323.387 3.596 0 40 DHAB C[C@H](CSC(C)(C)C)N[C@@H]1CCO[C@@]2(CCSC2)C1 108372345 XNPBLQRQYDQCNS-NFAWXSAZSA-N 303.537 3.551 0 40 DHAB CC[C@@]1(C)Oc2ccc(NC(=O)CCc3cscn3)cc2O1 188854602 DEBYFYIACVJGKY-INIZCTEOSA-N 318.398 3.612 0 40 DHAB Clc1ccccc1C1=C[C@H](c2ccccc2)N2NC=NC2=N1 199414077 KRIVRLMLZKFSAT-MRXNPFEDSA-N 308.772 3.640 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1 223247137 FQXFNNKQZFYUDX-UHFFFAOYSA-N 310.397 3.833 0 40 DHAB O=C1N=C(/C=C2/C=Cc3ccccc3N2B(F)F)c2ccccc21 223812262 YBLBQIGCJAGZCD-QBFSEMIESA-N 320.107 3.971 0 40 DHAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccccc1 224089994 ZDGBJZRKHCPWFD-UHFFFAOYSA-N 311.381 3.510 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1 225398040 GAPZEHOHLYZJBF-GFCCVEGCSA-N 301.361 3.888 0 40 DHAB Clc1ccc(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)cc1 226761275 WLPBMOQWAGSSNP-AWEZNQCLSA-N 300.745 3.507 0 40 DHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251221241 MZOINQQNPFQCNL-UOVPBQLFSA-N 301.430 3.766 0 40 DHAB C/C(O)=C1\C[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 390822406 TUGDEWADZKLGJL-URCRYYGISA-N 322.408 3.649 0 40 DHAB C[C@@H](c1ccccc1)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 1857788652 SCBZIRLPWKMXGG-XIRDDKMYSA-N 316.445 3.689 0 40 DHAB c1ccc2c(N3CCC(c4nnc(C5CC5)o4)CC3)ccnc2c1 2086865924 BRJKWNKXNRJANG-UHFFFAOYSA-N 320.396 3.879 0 40 DHAB Cc1cc(OCC(=O)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 530849 AJKMPXMACDFQRX-UHFFFAOYSA-N 322.360 3.980 0 40 DHAB Fc1ccc(-n2nccc2-c2ccc(N3CCOCC3)cc2)cc1 1384471 OXRIVEAPYVYEFT-UHFFFAOYSA-N 323.371 3.515 0 40 DHAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 1385917 ZFOCXIWZYQODRG-MRXNPFEDSA-N 311.360 3.829 0 40 DHAB CC1(C)CC(=O)C[C@H](c2ccccc2)[C@H]1NC(=O)c1ccccc1 1442020 KEHRRJFPXNWJJN-RTBURBONSA-N 321.420 3.958 0 40 DHAB Cc1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)c1 1573467 SWIUQBFXLZSMJW-UHFFFAOYSA-N 309.325 3.826 0 40 DHAB in-vitro CCOC(=O)[C@H](C[C@H](C(=O)O)c1ccccc1)c1ccccc1 1581058 JGVQIPKMDNEGKH-DLBZAZTESA-N 312.365 3.592 0 40 DHAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccccc1 1727950 HEVYWLDOYPNSRY-UHFFFAOYSA-N 309.390 3.739 0 40 DHAB CCCOc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1 2137068 MTZYMLQRWHILOO-UHFFFAOYSA-N 324.332 3.801 0 40 DHAB biogenic COc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)nn1 5259564 HEUVHAIBECUJKK-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB CCSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 6141213 WPXZNFBPJUZVDE-UHFFFAOYSA-N 320.801 3.803 0 40 DHAB CCN(C(=O)COC(=O)c1ccccc1Cl)c1ccccc1 6950691 FUFFTOTUTYBKQF-UHFFFAOYSA-N 317.772 3.550 0 40 DHAB Cc1occc1-c1nnc(SCC(=O)c2ccccc2F)o1 7196265 SKLAHOPJHSKISV-UHFFFAOYSA-N 318.329 3.752 0 40 DHAB CCOCCCNCc1ccc(OCc2cccs2)cc1 8253191 JYQABYOJVFHXNC-UHFFFAOYSA-N 305.443 3.843 0 40 DHAB COc1cc(C(=O)Nc2nc(C)cs2)ccc1OCC(C)C 8935549 VXAFSZLOCHCPSZ-UHFFFAOYSA-N 320.414 3.747 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1C 9467211 ZPHVJVWJABGAHG-UHFFFAOYSA-N 307.397 3.854 0 40 DHAB CC1(C)[C@@H](C[C@@H]2OC[C@@H](CN3CCCCC3)O2)[C@H]2CC[C@@H]1C2 12436769 IUQYLYYXKZJRJM-OBVSXPTNSA-N 307.478 3.676 0 40 DHAB CC[C@H]1CCc2sc(C(=O)NCCc3ccccn3)cc2C1 12645067 FLOVZCHLCWUSGM-ZDUSSCGKSA-N 314.454 3.631 0 40 DHAB Cc1noc(C)c1COc1cc2oc(=O)cc(C)c2cc1Cl 13135180 WWNIDVGEVMESRV-UHFFFAOYSA-N 319.744 3.939 0 40 DHAB Oc1ccc(CCCC[C@H](O)CCc2ccc(O)cc2)cc1 13384943 UYJAYWZGEZOHRU-KRWDZBQOSA-N 300.398 3.804 0 40 DHAB biogenic,in-vitro CCCCC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 13495050 GKIMEKCWZIPYAJ-UHFFFAOYSA-N 315.417 3.841 0 40 DHAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(F)c(F)c1F 14137522 BECPDZSLEQVDOK-QHHAFSJGSA-N 319.282 3.691 0 40 DHAB Oc1cc(-c2ccccc2Cl)nn1-c1nc2ccccc2[nH]1 14607930 HDYVNDYMUCDPCQ-UHFFFAOYSA-N 310.744 3.775 0 40 DHAB COc1ccc(-c2ccccc2)cc1NC(=O)C1=CCN(C)CC1 18192583 PEJKOSNYXXKSHA-UHFFFAOYSA-N 322.408 3.563 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 20462222 JHJYSWTZHCIYGY-NSHDSACASA-N 305.324 3.933 0 40 DHAB O=C(Nc1cccc(-c2nnco2)c1)C1(c2ccc(F)cc2)CC1 24741214 XRKMXNIAVZYORZ-UHFFFAOYSA-N 323.327 3.546 0 40 DHAB COc1ccc(CNC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 24957422 ZJUXRPXQXQHFBM-LLVKDONJSA-N 320.339 3.534 0 40 DHAB CC(C)CNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 25706453 UUSUPPHESHQJOH-UHFFFAOYSA-N 308.834 3.778 0 40 DHAB Cc1ccc(C(=O)NCCc2ccccc2F)cc1-n1cccc1 28328271 PIMJJCWYUAHADA-UHFFFAOYSA-N 322.383 3.897 0 40 DHAB COC[C@H](C)NC(=O)/C=C/c1ccc(-c2ccccc2F)s1 29602720 VZCADFOQANUJDR-OANVXVOSSA-N 319.401 3.719 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1 30844093 UJGQBONSWQAOCV-HNAYVOBHSA-N 309.409 3.859 0 40 DHAB CN(C)C(=O)c1ccc(-c2ccc(Br)cc2)s1 31223308 KUZZXDGPUSFKOL-UHFFFAOYSA-N 310.216 3.879 0 40 DHAB C[C@@H](NC(=O)CCc1ccco1)c1cccc(OC(F)F)c1 32931073 VRGSUJKPHWSULH-LLVKDONJSA-N 309.312 3.691 0 40 DHAB O=C(c1ccc(Cl)cc1)N1C=CN=C(C(F)(F)F)CC1 39323614 QHWSIUFPJLAXHD-UHFFFAOYSA-N 302.683 3.660 0 40 DHAB CC(C)(C)c1ccc(OC[C@@H]2CCNC2)c(Br)c1 42770566 GAPQZJYXEAAHKJ-LLVKDONJSA-N 312.251 3.735 0 40 DHAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccncc2)cc1 48369205 VHONZGCHJGGZKQ-OAHLLOKOSA-N 312.413 3.620 0 40 DHAB CC(C)OCc1cccc(CNC(=O)c2ccc(F)cc2F)c1 49153180 UKEVCIAVTNNMAW-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB Cc1cccc(C)c1OCC(=O)N(C)c1ccc(F)c(F)c1 58025012 MGDCAAFCKIMRLX-UHFFFAOYSA-N 305.324 3.623 0 40 DHAB COc1ccc(CSCC(=O)Nc2ccccc2OC)cc1 59503550 KUTQFNCMUORVHS-UHFFFAOYSA-N 317.410 3.576 0 40 DHAB c1csc([C@@H]2c3ccsc3CCN2Cc2ccno2)c1 69740534 PFISMRJCBDIUNA-HNNXBMFYSA-N 302.424 3.945 0 40 DHAB Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2csc(C)n2)c(C)o1 72271578 JDQCAWCPQCQIQO-UWVGGRQHSA-N 307.419 3.783 0 40 DHAB Fc1cccc(NCc2cc(-c3ccccc3)cn3nnnc23)c1 72392306 SEEBGYOSWJQQHI-UHFFFAOYSA-N 319.343 3.543 0 40 DHAB Cc1ccc(-c2ccsc2C(=O)Nc2c[nH]c(=O)cc2C)cc1 75092870 ZQIKXIDKSXTZHM-UHFFFAOYSA-N 324.405 3.973 0 40 DHAB CC(C)c1nc(CNc2ccccc2CC(=O)N(C)C)cs1 84631023 ULCKNIXVJVHUMW-UHFFFAOYSA-N 317.458 3.509 0 40 DHAB O=C(Nc1ccc(Br)c(F)c1)c1ccc(F)cc1 84847073 XGMUEWDJNVLTDL-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB Cc1nnc(CN[C@@H](C)c2ccccc2C(F)(F)F)s1 95985434 PSUDKKLZPRQREF-QMMMGPOBSA-N 301.337 3.716 0 40 DHAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)Nc1cccs1 96097307 WQVNRWOXTJXUSL-GFCCVEGCSA-N 316.382 3.740 0 40 DHAB Cc1ccc(C(=O)NC2CC2)cc1N[C@@H](C)c1ccc(F)cn1 97232003 BIKWGNQPIWRGOI-LBPRGKRZSA-N 313.376 3.594 0 40 DHAB Cc1ccc2c(c1)s/c(=N/C(=O)/C=C/c1cccs1)n2C 100815375 GNEXFSVSVBEPKQ-JNKFDQBJSA-N 314.435 3.750 0 40 DHAB C[C@H](CNC(=O)C1[C@H]2CCC[C@H]12)c1nc2ccccc2s1 101719225 AYCPUHXIVGSFEQ-WOPDTQHZSA-N 300.427 3.562 0 40 DHAB Cc1cc(N(Cc2ccccc2)C(=O)O)ncc1Br 199814920 JTEVQMKHEKWEBN-UHFFFAOYSA-N 321.174 3.837 0 40 DHAB Nc1nnc(-c2cccc(-c3nc4cc(Cl)ccc4o3)c2)o1 216837875 BTZUULFBEJGIRI-UHFFFAOYSA-N 312.716 3.780 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)Cc1cccc(Cl)c1 223188736 JFDRVJIWTJRGTQ-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB O=C(Cc1cccc(Cl)c1)NCCOc1ccc(Cl)cc1 225111195 OGOYDWLCTALIKD-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB CCCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cn1 225879025 FCFJITDITKMEBG-UHFFFAOYSA-N 311.596 3.569 0 40 DHAB C[C@@H]1CC[C@H]1COc1ccccc1I 242701697 WKLKLZKYRQIHCQ-ZJUUUORDSA-N 302.155 3.716 0 40 DHAB CC(C)C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257296535 RDFRTOGAUSHOHF-MRXNPFEDSA-N 316.376 3.724 0 40 DHAB CC(C)c1cc(NC(=O)N[C@@H]2CCCOc3ccccc32)no1 266403532 PNGQDBVECWBPEY-CYBMUJFWSA-N 315.373 3.833 0 40 DHAB C[C@@]1(CCCO)CCCN1C(=O)c1ccc(F)c2ccccc12 280433807 AFXDVGTZGHCIGA-IBGZPJMESA-N 315.388 3.746 0 40 DHAB Fc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1 78850 MEATVWYCPZCJEU-UHFFFAOYSA-N 306.300 3.723 0 40 DHAB CCOc1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1 526909 VRBYZBUVDCOXNC-UHFFFAOYSA-N 322.393 3.919 0 40 DHAB NCCCCCc1nnc(SCc2cccc(Cl)c2)o1 2447935 MFZVPDAARLDYSD-UHFFFAOYSA-N 311.838 3.687 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1 2753204 DZHUFIKCOPMDTE-UHFFFAOYSA-N 305.399 3.619 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(F)cc1 3416207 SYHQKWNKCSXXRL-UHFFFAOYSA-N 311.312 3.655 0 40 DHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 4695723 BUGCFGAQOOVCNW-UHFFFAOYSA-N 314.360 3.606 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)CC(C)C 5136992 CSGQAIDJFQJDCZ-UHFFFAOYSA-N 320.433 3.962 0 40 DHAB O=C(/C=C/c1ccco1)Nc1nc2c(F)cc(F)cc2s1 6342812 VMDDUMWDOXBRDP-ONEGZZNKSA-N 306.293 3.819 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c(C)c1 7212955 MUYXERXQYIBQOR-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CCc1nnc(SCC(=O)Nc2cccc3ccccc23)o1 7610311 ATFXVKSXVDLTAY-UHFFFAOYSA-N 313.382 3.516 0 40 DHAB c1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)CCCCC3 8393950 PGAAIJTUZRMERO-NSHDSACASA-N 303.431 3.551 0 40 DHAB Cc1n[nH]c(C)c1CCCOc1ccccc1Br 8753702 NNSIVEZYBYLDCZ-UHFFFAOYSA-N 309.207 3.801 0 40 DHAB CSc1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1 9390160 AAHNXTRWHRJYMW-UHFFFAOYSA-N 315.394 3.629 0 40 DHAB CCc1ccc(-c2cc(C(=O)O)nn2-c2ccc(OC)cc2)cc1 11801629 KHIAOPWOXCOBBJ-UHFFFAOYSA-N 322.364 3.809 0 40 DHAB Cc1cc(C)cc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12595077 PPXSBEUHPQUTEL-GFCCVEGCSA-N 303.793 3.791 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)Cc1c(Cl)cccc1Cl 12904171 FZBMXHVYFXYWMK-UHFFFAOYSA-N 312.200 3.525 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2)c1 13671233 WPOIWRZPGPTOAS-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1nnc(C)s1 14186099 QXFLBNISHKRCJR-CMDGGOBGSA-N 313.382 3.807 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1cccnc1N1CCCC1 23675105 KNXOGLBTGFFHHT-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB Cc1nc(C)c(C(=O)NCCCO[C@H](C)c2ccccc2)s1 25672983 XCXGMPOVLGBHSM-CYBMUJFWSA-N 318.442 3.658 0 40 DHAB O=C(c1cccnc1)N1CCC[C@H]1c1nc2ccccc2s1 31389171 YIZVGJQXGOAWKP-AWEZNQCLSA-N 309.394 3.669 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)c(Cl)c1 32901261 LLGUAXFXQDKCOG-UHFFFAOYSA-N 315.866 3.848 0 40 DHAB Cc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1C(F)(F)F 32902828 IYRRPBLTHHHLDZ-UHFFFAOYSA-N 311.307 3.616 0 40 DHAB O=C(c1cc(-c2ccccc2)no1)N1CCc2sccc2C1 32922869 AYIYWJQTQUNLKD-UHFFFAOYSA-N 310.378 3.602 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2)no1 33149991 KPCDYBKHMZCYLW-UHFFFAOYSA-N 306.321 3.797 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 36892685 OEJOWZHPVHNTPQ-FHLIZLRMSA-N 317.429 3.553 0 40 DHAB CC(C)(C)OC(=O)N1CCC(n2cnc3ccccc32)CC1 38329265 MJQICJNSWLWZDO-UHFFFAOYSA-N 301.390 3.608 0 40 DHAB O=C(CSC[C@H](O)c1ccccc1)Nc1ccc(Cl)cc1 40134568 QYUJQYJMKRGIGX-HNNXBMFYSA-N 321.829 3.745 0 40 DHAB COc1ccc2nc(C(=O)N(C)Cc3ccsc3)ccc2c1 44893215 CRZGFFFKUXTSRJ-UHFFFAOYSA-N 312.394 3.577 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1ccc3ncccc3c1)SCC(O)=N2 44901330 FMICLSOXJUYDJY-OAHLLOKOSA-N 310.382 3.691 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C)cc1 44903143 KDKLFXSJQAAVMS-QGZVFWFLSA-N 301.361 3.608 0 40 DHAB CC[C@@H](NC(=O)N(C)Cc1c(C)noc1C)c1cccs1 57242325 ULSVINKYTOLDMW-CYBMUJFWSA-N 307.419 3.646 0 40 DHAB c1cc(CNCc2cc3ccccc3[nH]2)c2c(c1)OCCCO2 58473646 ANMJZNHCVVSVBO-UHFFFAOYSA-N 308.381 3.619 0 40 DHAB CC(C)c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889846 XCLCPZGAYARDKI-UHFFFAOYSA-N 306.793 3.943 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccco2)cc1 72221579 JXCYIOIZSFWQLH-OAHLLOKOSA-N 305.399 3.504 0 40 DHAB CCCn1nc(C)cc1NC(=O)Cn1c(C)cc2ccccc21 72243196 YSVFIAHAWYNXOW-UHFFFAOYSA-N 310.401 3.503 0 40 DHAB COc1cccc(OCC(=O)NCc2cccc3ccccc23)c1 75475371 OHENURQPRRUHFL-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB Cc1ccc2nc(C3CC3)cc(C(=O)N3CCOCC3(C)C)c2c1 76094095 YPLJCPMOWMRYBD-UHFFFAOYSA-N 324.424 3.672 0 40 DHAB O=C(Nc1cnc2ccccc2c1)[C@@H]1CCOc2ccccc21 76775251 VLANLTLPVPWGLX-MRXNPFEDSA-N 304.349 3.740 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C(C)=O)c1 78700775 UTUKAFODDGIZPD-INIZCTEOSA-N 315.344 3.824 0 40 DHAB c1coc([C@@H]2CCCN2Cc2nnc(-c3cccs3)o2)c1 89794506 WOIBUBUGYZJQSR-NSHDSACASA-N 301.371 3.728 0 40 DHAB CCc1nc(C[S@@](=O)Cc2ccccc2OC(C)C)cs1 96404328 AMZXCCODBDKLLQ-OAQYLSRUSA-N 323.483 3.942 0 40 DHAB CCn1nc(C)cc1C(=O)Nc1cccc(NC2CCCC2)c1 96410511 AANVMOBYCKFKTC-UHFFFAOYSA-N 312.417 3.818 0 40 DHAB CCc1nnc(CN[C@@H](C)c2cc3cc(Cl)ccc3o2)o1 97112285 DSZMXKVTPDPTPR-VIFPVBQESA-N 305.765 3.882 0 40 DHAB CC(C)/N=c1/ccccn1C(=O)c1ccc(Cl)cc1Cl 102827341 KLCBEYRFOQXLCV-JXAWBTAJSA-N 309.196 3.793 0 40 DHAB C/C(O)=C1/C(=O)N[C@@]23CCCC[C@@H]2[C@H]1c1cc(Cl)ccc1O3 104149434 GPUFUHHFUPADPT-WWLWIREUSA-N 319.788 3.664 0 40 DHAB c1ccc2c(CNc3nnc([C@@H]4CCCO4)o3)csc2c1 181968831 HSJSXDBCYKEBAQ-LBPRGKRZSA-N 301.371 3.748 0 40 DHAB Clc1ccc(OCc2nc(-c3cnccn3)cs2)cc1 196875082 QLVXLDYQPJVTEO-UHFFFAOYSA-N 303.774 3.833 0 40 DHAB Cc1cccc(C(=O)Nc2cc(N3CCCC3)c(C)cc2N)c1 216865864 XOLRVNQUPXDBNT-UHFFFAOYSA-N 309.413 3.738 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1[C@@H](C)CCC[C@H]1C 217791663 ZZCSTKNPMXZFKC-IYBDPMFKSA-N 319.445 3.930 0 40 DHAB CC(C)c1ccc(OCC(=O)NCCSC(C)(C)C)cc1 218959287 RDLRKABGCXGFAC-UHFFFAOYSA-N 309.475 3.837 0 40 DHAB CC[C@H](NC(=S)Nc1ncccc1OC)c1ccc(C)cc1 225486730 POPFRMNXIFZJKY-AWEZNQCLSA-N 315.442 3.836 0 40 DHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251240391 SSVZZSXNBFNIRC-LUKYLMHMSA-N 301.430 3.766 0 40 DHAB O=C(CCc1ccc(Cl)cc1)N1CCCC[C@H]1c1ccn[nH]1 257309310 UAKJOXWNMDQETJ-INIZCTEOSA-N 317.820 3.750 0 40 DHAB CCn1c(SC(=O)c2cccc(OC)c2)nc2ccccc21 408692665 RUYVWEMFPMOVKR-UHFFFAOYSA-N 312.394 3.997 0 40 DHAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cnc(O)c2ccccc12 527292631 DAQDBWOEPMPFFQ-KZULUSFZSA-N 318.376 3.604 0 40 DHAB OCC[C@H](CN[C@@H](c1ccccn1)C1CCC1)c1ccccc1 585135027 UQAMHDPQYCDLLA-UYAOXDASSA-N 310.441 3.679 0 40 DHAB COc1cccc2c1CCCCN2C(=O)Nc1c(C)noc1C 585141106 PORVWIJOBRDBCS-UHFFFAOYSA-N 315.373 3.675 0 40 DHAB O=C(C1CCC1)N1CCC[C@H](Cc2ccnc3ccncc23)CC1 607854489 FDUIYCCJJWWBHO-HNNXBMFYSA-N 323.440 3.601 0 40 DHAB Cc1cccc2c1CCN(C(=O)c1ccnc(-c3ccco3)c1)C2 1530467742 DZGFLCOOZUNTAY-UHFFFAOYSA-N 318.376 3.849 0 40 DHAB CCC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2086860206 BAPVXLFDYXIIEA-UHFFFAOYSA-N 309.413 3.623 0 40 DHAB COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 396295 HOSPDZPUWYEZHH-UHFFFAOYSA-N 317.939 3.785 0 40 DHAB Cc1cc2ccccc2nc1SCC(=O)NCc1ccco1 416334 NZHFJUDVCMXLOU-UHFFFAOYSA-N 312.394 3.545 0 40 DHAB O=S(=O)(Nc1cccc(Cl)c1)c1cccc2cccnc12 423475 WVGYHLJEPXJSCQ-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB CC(OC[C@@H]1CC1(Cl)Cl)OC[C@@H]1CC1(Cl)Cl 501355 QIVGZPUEXCALGR-YUMQZZPRSA-N 308.032 3.753 0 40 DHAB CCCCOc1ccc(C2=N/C(=C/c3ccco3)C(=O)O2)cc1 2054531 SWGRSZRMRBOYES-FOWTUZBSSA-N 311.337 3.803 0 40 DHAB CC[C@@H]1CCCCN1CC(=O)c1cccc(Br)c1 3306546 TYXFDSRSRHYHDQ-CQSZACIVSA-N 310.235 3.896 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 3424796 ATPCVWPVKHAJDV-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB CCc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1 3557623 OQXUXUDTSGSHDM-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB CCc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 4663521 BLNMTXVGIHMRHK-UHFFFAOYSA-N 302.374 3.515 0 40 DHAB CN1CCC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 5029550 BSKUDKXKAISNDJ-MTEHYEEQSA-N 301.474 3.914 0 40 DHAB CCC(C)(C)NC(=S)Nc1ccc(Br)cc1 6349068 VUUIFYGYKGOFJO-UHFFFAOYSA-N 301.253 3.924 0 40 DHAB Cc1ccc(-c2nnc(S[C@@H](C)c3ccccc3)n2N)cc1 6510115 XUPPYWFGWFPOHN-ZDUSSCGKSA-N 310.426 3.821 0 40 DHAB CCOc1ccccc1NS(=O)(=O)c1cccc(Cl)c1 7057418 IXIUFTAMRDKHPE-UHFFFAOYSA-N 311.790 3.540 0 40 DHAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Cl)s1 7402247 TYPYZXSTYRLXPM-UHFFFAOYSA-N 308.211 3.856 0 40 DHAB COc1ccc(OC)c([C@H](C)Nc2ncnc3sccc23)c1 7470539 NPWFBSSDYWJPBL-JTQLQIEISA-N 315.398 3.882 0 40 DHAB CC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 10434008 RKMXMZICMFKQEY-UHFFFAOYSA-N 322.408 3.737 0 40 DHAB C[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 11767235 WBPGVNHLDOLDNI-HNNXBMFYSA-N 307.393 3.790 0 40 DHAB CCCc1cc(CNC(=O)c2cccc3c(C)c(C)[nH]c23)on1 12192596 VNNAKFLLCPRIQR-UHFFFAOYSA-N 311.385 3.655 0 40 DHAB CC[C@H](CC(=O)NCc1c(C)n[nH]c1C)c1c[nH]c2ccccc12 12196272 DTLTVZGAGUCPEE-CQSZACIVSA-N 324.428 3.708 0 40 DHAB O=C(NCCc1ccc(Cl)cc1)Nc1ccc(F)cc1F 12583437 QJUFUMOUELKGSB-UHFFFAOYSA-N 310.731 3.982 0 40 DHAB COc1cc(CNc2ncccn2)ccc1OCc1ccccc1 12795021 LAZXHFUVKOBFLQ-UHFFFAOYSA-N 321.380 3.676 0 40 DHAB O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1 12825657 JFPXHKUENJSYJU-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB CCC(CC)NC(=O)N[C@H](C)c1ccccc1Br 12885593 JWMQQRFPNQCPDT-SNVBAGLBSA-N 313.239 3.998 0 40 DHAB CN(Cc1ccsc1)C(=O)/C=C/c1cnn(-c2ccccc2)c1 12914470 QJJMCAJCFBQWTG-BQYQJAHWSA-N 323.421 3.606 0 40 DHAB O=C(NC1CC1)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 12995046 QYYVIZBRRLVCSZ-MRXNPFEDSA-N 300.789 3.772 0 40 DHAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccccc2)n1 13495381 VNHBRRWBCYIIFF-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB COc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3)o2)cc1 14139513 LWPGISUQJWVECK-CQSZACIVSA-N 323.396 3.938 0 40 DHAB Cc1ccc(SCCNC(=O)COc2cccc(C)c2)cc1 17341154 BNFNKXLQPMGEJA-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB Cc1cccc(-n2ncc3c(N4C[C@@H](C)C[C@@H](C)C4)ncnc32)c1 18038176 DLJHKUKZXUWCQO-GASCZTMLSA-N 321.428 3.606 0 40 DHAB C[C@@H](C(=O)Nc1ccc(-c2cccc(F)c2)cc1)n1ccnc1 19080613 MTNDUAPVKGLKJK-ZDUSSCGKSA-N 309.344 3.889 0 40 DHAB OCn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 32109742 TUJXULBWSRDDDU-UHFFFAOYSA-N 317.801 3.673 0 40 DHAB C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(F)cc1 32680944 AJZUSQPQUZJHLL-UONOGXRCSA-N 301.361 3.608 0 40 DHAB COc1cccc(C(=O)N[C@H](C)c2cc(C)ccc2C)c1OC 32983403 PKJBAPRZRLJVAM-CQSZACIVSA-N 313.397 3.812 0 40 DHAB CSc1ncccc1C(=O)N1CCCc2ccc(F)cc21 40117181 AWPCVFHVAYJPFK-UHFFFAOYSA-N 302.374 3.536 0 40 DHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(F)c(F)c1 48264381 PXVUXNAPXPDQJA-NHYWBVRUSA-N 312.360 3.682 0 40 DHAB Cc1c(NC(=O)C(F)(F)F)cccc1-c1nc2ncccc2o1 57316732 RZISBXFNGFFPIV-UHFFFAOYSA-N 321.258 3.699 0 40 DHAB Cc1noc([C@H](C)NC(=O)Nc2cc(Cl)ccc2Cl)n1 58331534 ZBCPISSTFMOLEW-LURJTMIESA-N 315.160 3.568 0 40 DHAB CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1OC 59313398 BMWMDMNKZYXITA-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB CC[C@H](C)NC(=O)N(C)C1CCN(c2ccc(Cl)cc2)CC1 65578635 QWDOPPNMJHKCPC-ZDUSSCGKSA-N 323.868 3.749 0 40 DHAB CC(C)(CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 67214999 COIHTEKLPBOLEG-UHFFFAOYSA-N 308.425 3.941 0 40 DHAB COc1ccc(-c2ccccc2)cc1-n1ccnc1-c1c[nH]cn1 67934999 AONSYUXYCRAQRI-UHFFFAOYSA-N 316.364 3.938 0 40 DHAB Cc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2Cl)c1 72227446 MEWOSRODEJHKIA-LSDHHAIUSA-N 321.207 3.717 0 40 DHAB c1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cc1 72355455 LWRXQJMDJMUFGO-GOSISDBHSA-N 304.397 3.604 0 40 DHAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1 72448747 ZSISUCPOQCGKJO-UHFFFAOYSA-N 304.349 3.603 0 40 DHAB Cc1nc(CSc2nnc(OC(C)C)s2)sc1C 78879650 YZCUCFZJTSXOGR-UHFFFAOYSA-N 301.462 3.691 0 40 DHAB Cc1cccn2cc(C[S@](=O)C/C=C/c3ccccc3)nc12 83943910 FYNFUAUUVIODCR-FLVSMNSFSA-N 310.422 3.605 0 40 DHAB Cc1ncsc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 86279342 AJRCGFDIHPXMEF-LBPRGKRZSA-N 312.442 3.796 0 40 DHAB CCn1nc(C)c(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1C 89480841 VWXDUEQIMARMDV-GJZGRUSLSA-N 304.438 3.610 0 40 DHAB COC[C@@H](C)C(=O)Nc1ccc(Br)cc1C(C)C 89876648 XLDYZXLNKKUYQZ-SNVBAGLBSA-N 314.223 3.794 0 40 DHAB O=C(CSc1ccncc1)Nc1ccc(F)cc1NC1CC1 95413749 JNISTBVRBMYJEW-UHFFFAOYSA-N 317.389 3.526 0 40 DHAB C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccc2ccccc2n1 95967211 FRBYESYGQUPTHL-PBHICJAKSA-N 304.393 3.889 0 40 DHAB Cc1c(NC(=O)CCc2ccccn2)cccc1C(F)(F)F 97015189 OIKBJPIJJPRJDJ-UHFFFAOYSA-N 308.303 3.980 0 40 DHAB O=C(c1cnn(-c2ccccc2)c1Cl)N1CCc2ccccc21 98086731 FSCHFGPKCGXUKR-UHFFFAOYSA-N 323.783 3.729 0 40 DHAB CC(C)c1ccccc1OCCNC(=O)c1ccccc1F 110509211 JGAQKQWFBJYXDP-UHFFFAOYSA-N 301.361 3.758 0 40 DHAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccccc2)c1 223012109 MVEJSGVDFVOQCY-HNNXBMFYSA-N 311.425 3.895 0 40 DHAB O=C(OC1CCCCC1)c1snnc1-c1ccc(F)cc1 223840918 ONWYBNXGLHMQCB-UHFFFAOYSA-N 306.362 3.834 0 40 DHAB CCc1ccccc1C[C@@H](Oc1ccccc1Cl)C(=O)O 225039561 OZHNMJIDSDEIJF-MRXNPFEDSA-N 304.773 3.977 0 40 DHAB Cc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 225042313 AAJFITDEVKVTPN-UHFFFAOYSA-N 311.406 3.973 0 40 DHAB CC(C)[C@H](C)NC(=O)CSCc1ccc(Cl)cc1F 225232739 ZVOMHWDZQQSSAE-JTQLQIEISA-N 303.830 3.873 0 40 DHAB O=C(NCCCCC(F)(F)F)[C@@H]1C[C@@]12CCc1ccccc12 225502318 FMPQBXJYCMWBPG-GOEBONIOSA-N 311.347 3.739 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cccc(F)c1 225581875 QIGAXFCSFPAUJW-INIZCTEOSA-N 323.481 3.767 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)Cc1cccc(Cl)c1 225867237 AQEFLXQKDVGABB-QGZVFWFLSA-N 322.880 3.653 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OC)c2cccnc12 225882680 BNMJCWMDHJNQMC-GOSISDBHSA-N 316.401 3.777 0 40 DHAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)nc1C 225907192 UQFAAWLUNIGRBB-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB COc1ccc(-c2nc(C)no2)cc1NC(=O)Nc1ccccc1 227154109 VQAPWIYZGUCQSH-UHFFFAOYSA-N 324.340 3.698 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@H](O)C(=O)CC[C@]43C)[C@@H]1CCCC2=O 245190550 PSDYUQOKDCQVKL-APJTUZKOSA-N 318.457 3.528 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)s1 257245459 IPPBUYPCXRDSLA-LBPRGKRZSA-N 306.456 3.841 0 40 DHAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2csc(C(C)C)c2)C1 257338571 YYAATJFHQLJRGQ-LBPRGKRZSA-N 303.431 3.533 0 40 DHAB CC[C@@H](COC)NC(=O)Nc1cccc(C(F)F)c1Cl 390833910 OQWZMCWFAOUEAV-QMMMGPOBSA-N 306.740 3.824 0 40 DHAB Cc1cc(C(=O)Nc2nc(C3CCNCC3)cs2)sc1C 573831998 REGWTXNFGPEURH-UHFFFAOYSA-N 321.471 3.541 0 40 DHAB C[C@@H]1C[C@@H](C(=O)N2CCC(c3ncco3)CC2)CC(C)(C)C1 585123796 RDPZLBBIIFNWBE-UKRRQHHQSA-N 304.434 3.843 0 40 DHAB CN(C)Cc1noc2ccc(NC(=O)Nc3ccccc3)cc12 1775970520 PACAINORXAWBQW-UHFFFAOYSA-N 310.357 3.533 0 40 DHAB CCOC(=O)c1ccc(OC(=O)Nc2ccc(F)cc2)cc1 399799 XZNACTVGFPEUIO-UHFFFAOYSA-N 303.289 3.613 0 40 DHAB CCC[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 536028 JKKKDGAZMUPCMA-INIZCTEOSA-N 311.360 3.973 0 40 DHAB COC(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 793075 QWGJMDUXYXQLKG-UHFFFAOYSA-N 318.398 3.602 0 40 DHAB C(=C/c1ccccc1)\Cn1ccc(-c2ccc3c(c2)OCO3)n1 1394878 SIYXSCKFVHSFBQ-QPJJXVBHSA-N 304.349 3.992 0 40 DHAB COc1ccc2cc(C(=O)CCC[C@@H](C)C(=O)O)ccc2c1 1690902 HORJVAYUHWCSGJ-GFCCVEGCSA-N 300.354 3.922 0 40 DHAB CCOP(=O)(Cc1ccc(C(=O)N(CC)CC)o1)OCC 1873455 LOUGNTWOOQVNNY-UHFFFAOYSA-N 317.322 3.528 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1cccnc1 2080197 BULNEXDKBXAXAL-UHFFFAOYSA-N 318.804 3.519 0 40 DHAB CCCCOc1ccc(NC(=O)CSc2ccccn2)cc1 2353267 UZCSANLWNUBXJQ-UHFFFAOYSA-N 316.426 3.991 0 40 DHAB Cc1cc(C)nc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 3150119 SEYCOHYFAONUKT-UHFFFAOYSA-N 316.229 3.646 0 40 DHAB CCOc1ccccc1/C=C1/SC(=O)N([C@H](C)CC)C1=O 4704837 BYOQBLJKPNKVSF-ZTMOJVSCSA-N 305.399 3.920 0 40 DHAB Clc1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)cc1 5140000 IUUYJCULHZUXNF-UHFFFAOYSA-N 313.792 3.682 0 40 DHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1 5238544 GMZCAYAUNPSQJD-UHFFFAOYSA-N 319.286 3.694 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Oc1c(C)cccc1C 6653460 NJGKGITVQGBCJH-UHFFFAOYSA-N 308.381 3.821 0 40 DHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 7263843 BHHSJCCWEYOZKQ-UHFFFAOYSA-N 313.250 3.862 0 40 DHAB O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccccc1 8734242 FRUYVANTTBHHOW-UHFFFAOYSA-N 324.355 3.730 0 40 DHAB Cc1ccc2cc(-c3noc(-c4ccccc4C)n3)c(=O)[nH]c2c1 8951575 QVPPRBHFRIHZER-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB CCc1cccc2c1[nH]c1cc(NC(=O)CCC(=O)O)ccc12 11947433 LNPDMYITMJUMIK-UHFFFAOYSA-N 310.353 3.687 0 40 DHAB Cc1ccc(CNc2c(-c3ccco3)nc3cnccn23)cc1 12113779 YNHNSDWQUUEEDS-UHFFFAOYSA-N 304.353 3.910 0 40 DHAB Cc1ccc(SCCNC(=O)Cc2ccccc2F)cc1C 12744140 VUJXKEXHALUTSN-UHFFFAOYSA-N 317.429 3.894 0 40 DHAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1 12774244 NNTNYOVYVWAWGU-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB Cc1nc(N2CCn3cccc3[C@H]2C)c2c3c(sc2n1)CCC3 12909441 UDRGNVURXAFCHU-LLVKDONJSA-N 324.453 3.871 0 40 DHAB Cc1ccccc1OCCN(C)C(=O)c1cc2ccccc2[nH]1 12978256 DKIVDYYQVQCFMD-UHFFFAOYSA-N 308.381 3.627 0 40 DHAB COc1ccccc1/C=C/C(=O)NCCCc1ccc(C)cc1 13648477 OGTZPSWJNLIHLX-BUHFOSPRSA-N 309.409 3.766 0 40 DHAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NC(C)C)cc2s1 13654971 JNWKGHLYAUZGOM-UHFFFAOYSA-N 313.426 3.842 0 40 DHAB Cc1cccc(NC(=S)NC(=O)c2ccccc2F)c1C 14037519 JXULBIINIIMYTJ-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB Brc1ccc2cc(O[C@@H]3CCCNC3)ccc2c1 14631791 RKIQNLOKMFZPOF-OAHLLOKOSA-N 306.203 3.733 0 40 DHAB in-vitro O=C(NCCc1ccco1)c1ccc(OCc2ccccc2)cc1 15788975 MHLUTAWUYJOWQB-UHFFFAOYSA-N 321.376 3.831 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)CCc3ccccc3)ccc21 17289057 BAMVDHLEYHMOFZ-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB Cc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c(Cl)c1 20139416 YUWOWMKGWPMOPG-UHFFFAOYSA-N 319.744 3.613 0 40 DHAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 21141458 BTFCFKXOGNXCRG-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB COc1ccc(-c2nc(NC[C@H]3CCCO3)sc2C)cc1 23386366 UYBSBJJNDPUFRP-CQSZACIVSA-N 304.415 3.718 0 40 DHAB Cc1nn(-c2ccc(NC(=O)C3CCC3)cc2)c(C)c1Cl 27925095 WXEOJZFXWXWUJI-UHFFFAOYSA-N 303.793 3.881 0 40 DHAB Cc1ccc2nc(NC(=O)[C@@H](C)OCC(F)(F)F)sc2c1 31675521 HUMCQKBABXTNEQ-MRVPVSSYSA-N 318.320 3.511 0 40 DHAB C[C@H](Sc1ccccc1)C(=O)NCCc1ccc(F)cc1 31866530 DIEAQFNAFJRREF-ZDUSSCGKSA-N 303.402 3.665 0 40 DHAB COCCSc1ncnc2c1sc1nc(C)cc(C)c12 32072481 YYZMECOMBUMLDI-UHFFFAOYSA-N 305.428 3.595 0 40 DHAB Cc1ccsc1C(=O)Nc1ccc(N2CCCCC2)nc1 32883856 RCDYDETUJNMGGT-UHFFFAOYSA-N 301.415 3.694 0 40 DHAB Cc1ccc(Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 36393267 LFKJUCWQWXNZFX-OKILXGFUSA-N 317.458 3.804 0 40 DHAB Cc1cc(SCC(=O)O)c2ccc(C(F)(F)F)cc2n1 40164043 UWTDRTVGPNKHAM-UHFFFAOYSA-N 301.289 3.739 0 40 DHAB Cc1cc([C@@H]2CCCN2Cc2ccc(-n3cccn3)cc2)on1 44975713 KZVVRDIALHBUBR-KRWDZBQOSA-N 308.385 3.506 0 40 DHAB C[C@@H](NC(=O)CCCCC(=O)c1ccccc1)c1cccnc1 48242251 RLWUIMVUGHURKR-OAHLLOKOSA-N 310.397 3.702 0 40 DHAB Cc1cc2cc(NC(=O)COCCOc3ccccc3)ccc2[nH]1 52589068 CQICEAWPLSLWBW-UHFFFAOYSA-N 324.380 3.510 0 40 DHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC[C@@H](C)C1 57544808 ZBOWKAPZMSANHS-GFCCVEGCSA-N 315.417 3.607 0 40 DHAB Cc1ccsc1CN(CCCO)Cc1cc(F)ccc1F 57822651 RNROBDAOZMXINL-UHFFFAOYSA-N 311.397 3.719 0 40 DHAB CC(C)c1nnc(NC(=O)CS[C@@H](C)c2ccccc2F)o1 58249593 ACSLMBWGDDAHOD-JTQLQIEISA-N 323.393 3.765 0 40 DHAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc[nH]1 58458169 KCIISTOCDLABKF-UHFFFAOYSA-N 309.394 3.954 0 40 DHAB CCSc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 58635252 GMYCOVSIUDMBBW-CHWSQXEVSA-N 320.462 3.514 0 40 DHAB O=C(CCc1nccs1)N1CCCC[C@H]1Cc1ccccc1 69455379 CBRNQRJCQADNCP-INIZCTEOSA-N 314.454 3.700 0 40 DHAB CN(CCCNC(=O)c1cccc(Cl)c1)c1ccccc1 69690878 FFQWVPYJSGWGQI-UHFFFAOYSA-N 302.805 3.596 0 40 DHAB CC[C@H](C)[C@H](C)N(C(=O)Nc1cc(C(N)=O)ccc1C)C1CC1 71921480 HTLDBWAXGFCJDW-AAEUAGOBSA-N 317.433 3.525 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccco2)n1 72232492 KGJDQNRULLJVIF-AWEZNQCLSA-N 304.415 3.731 0 40 DHAB Cc1ccc(C(=O)NCCCn2ncc3c(C)cccc32)s1 72239537 HYDUJLPHSAUERL-UHFFFAOYSA-N 313.426 3.535 0 40 DHAB Cc1cc(CNC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)no1 73872601 OCEXQCNDRLMMGM-IAQYHMDHSA-N 317.389 3.567 0 40 DHAB COc1ccc(-c2cnn3c(-c4ccco4)ccnc23)cc1OC 79474238 LYVKMKCMUOGOQY-UHFFFAOYSA-N 321.336 3.674 0 40 DHAB O=C(c1ccccc1Oc1cccnc1)N1C[C@H]2CCC[C@@H]2C1 84497895 NXOAGNMAFQOJMA-HUUCEWRRSA-N 308.381 3.746 0 40 DHAB CCc1nc(CNc2cc(NC(C)=O)c(F)cc2F)cs1 95409871 KJTRZDDOMHBIFM-UHFFFAOYSA-N 311.357 3.554 0 40 DHAB Cc1cc(N)ccc1NC(=O)c1ccc2c(c1)ncn2C(C)C 95971623 LUUYZTRJTUXUEY-UHFFFAOYSA-N 308.385 3.760 0 40 DHAB O=C(NCc1cccc(Oc2ccccn2)c1)c1ccsc1 96382388 VLBDDCBRKPQDHA-UHFFFAOYSA-N 310.378 3.865 0 40 DHAB O=C(Nc1ccccc1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 96435671 QZBSPZFKSFQFTH-QZTJIDSGSA-N 310.397 3.807 0 40 DHAB COCc1nc(CSc2nncc3ccccc23)cs1 96455709 BXXPKBGCNNBXNM-UHFFFAOYSA-N 303.412 3.525 0 40 DHAB COc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 96586346 BTRLMXRBZRWBEV-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB S=c1[nH]n(Cc2ccccc2)/c(=N\Cc2ccccc2)s1 100432902 NNBYRVSNZJVKNF-BMRADRMJSA-N 313.451 3.756 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C 170387706 YQKZEGUAPCNVOS-ZFWWWQNUSA-N 316.445 3.618 0 40 DHAB COc1ccc(NC(=S)NCCCc2ccco2)cc1Cl 225804736 YGQYWKTYXODJRF-UHFFFAOYSA-N 324.833 3.861 0 40 DHAB Cc1cccc(NC(=S)NC2(c3ccco3)CCCC2)n1 225873166 OQHGHJPRAFNXIF-UHFFFAOYSA-N 301.415 3.739 0 40 DHAB CCCCCC(=O)Nc1cc(Cl)c2nc(NN)sc2c1 226309026 XKUMJKWYQQAUQY-UHFFFAOYSA-N 312.826 3.754 0 40 DHAB Cc1cccnc1CCNC(=O)N[C@H]1CCCC12CCCCC2 661269514 CQNRALRLIMQDII-KRWDZBQOSA-N 315.461 3.735 0 40 DHAB FC(F)(F)CCN1CCC(COc2ccncc2Cl)CC1 2298047622 BUKUICSLJCKZJF-UHFFFAOYSA-N 322.758 3.778 0 40 DHAB CCN(CC)Cc1ccc(NC(=O)c2ccc(OC)cc2)cc1 568293 DWERVABRYFHGEC-UHFFFAOYSA-N 312.413 3.789 0 40 DHAB CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccccc21 1566233 AYXKVDRDWWQQTD-UHFFFAOYSA-N 322.316 3.786 0 40 DHAB CCOC(=O)CC(=O)c1c(C)cc(C)c(Br)c1C 1702382 CFRDPXORGILMBQ-UHFFFAOYSA-N 313.191 3.510 0 40 DHAB O=C(c1cccc(CN2CCSCC2)c1)C1CCCCC1 2515318 ROQCUTWPJLACON-UHFFFAOYSA-N 303.471 3.998 0 40 DHAB Cc1cccc(OC[C@H](O)CN2C(C)(C)CCCC2(C)C)c1 2696117 IMXNKXMLNIVDSD-MRXNPFEDSA-N 305.462 3.778 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1 3443110 BGICEAAJHIHOOI-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB CC[C@H]([C@@H]1CCc2cc(OC)ccc2C1=O)C(C)(C)C(=O)O 3850152 GIDGBYWSPGIDEX-LSDHHAIUSA-N 304.386 3.577 0 40 DHAB biogenic Cc1ccc(NC(=O)c2cncc(Br)c2)cc1C 4589780 NGFNZTQZRLGMPF-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB Cc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)cc1 4653694 UXXZYQYSBVFCEW-OAHLLOKOSA-N 317.772 3.594 0 40 DHAB CCCNC(=S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 4966887 IEPZIUNYDYYRPR-UHFFFAOYSA-N 324.877 3.519 0 40 DHAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)NC1CC1 5442071 RLVHVQMJCJPHFE-UHFFFAOYSA-N 324.405 3.621 0 40 DHAB Cc1sc(NC(=O)Nc2cccc(Cl)c2)c(C(N)=O)c1C 5533560 VUJIUUIMFJWBPB-UHFFFAOYSA-N 323.805 3.761 0 40 DHAB O=S(=O)(Cc1cccc(Cl)c1)c1nc2ccccc2s1 6244234 IQHZIKKXKAKDMH-UHFFFAOYSA-N 323.826 3.924 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 7053427 WJOACWBVNLISIO-UHFFFAOYSA-N 315.316 3.815 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@@H](C)[C@H]1C 7141008 QLYHNZAWWXYRRP-LMMKCTJWSA-N 316.489 3.838 0 40 DHAB S=C(NCc1cccs1)N[C@@H]1CCSc2ccccc21 7735968 BHKSEADNYOXOGM-CYBMUJFWSA-N 320.508 3.949 0 40 DHAB Cc1ccc(NCC(=O)Nc2ccccc2OC(F)F)c(F)c1 7973969 NHNKYMKFISOFGA-UHFFFAOYSA-N 324.302 3.786 0 40 DHAB CN(Cc1cccnc1)C(=O)CCCc1c[nH]c2ccccc12 8024268 MNGRQDORPWLVOD-UHFFFAOYSA-N 307.397 3.544 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1 8156571 WEWSQMYJEXCTRJ-UHFFFAOYSA-N 313.788 3.891 0 40 DHAB CCc1ccc2[nH]c(=O)c(CNCCc3cccc(C)c3)cc2c1 12468815 TUVJNYRTXOWVMI-UHFFFAOYSA-N 320.436 3.731 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSC1=NCCS1 12603811 HIMNLMQMSZFMPO-AGIUHOORSA-N 315.504 3.826 0 40 DHAB Cc1nc2ccccc2nc1COC(=O)c1c[nH]c2ccccc12 12764301 WCKNTUWCQZYPQV-UHFFFAOYSA-N 317.348 3.777 0 40 DHAB CCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1 12782855 UMWCOSJBYOSPIB-UHFFFAOYSA-N 307.353 3.523 0 40 DHAB CC[C@](C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1F 14135755 ORWVJTMTAXAABQ-AWEZNQCLSA-N 301.745 3.699 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1nc(Cl)ccc1Cl 14379164 XPVYSJZFBLGBOT-UHFFFAOYSA-N 309.152 3.843 0 40 DHAB O=C(CN[C@@H]1CCCc2ccccc21)NCCC1=CCCCC1 16695448 YXEMIKLXKXCMNF-LJQANCHMSA-N 312.457 3.660 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 20110293 FBXJFNHEPZRHMX-QGZVFWFLSA-N 303.427 3.566 0 40 DHAB O=C(CCC(=O)c1ccccc1)Nc1cccc2cccnc12 21551613 KYRFYKQLWMTFJR-UHFFFAOYSA-N 304.349 3.836 0 40 DHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)NCCC1=CCCCC1 28877101 GVDZIKDOOMXLEA-OAHLLOKOSA-N 312.457 3.982 0 40 DHAB Cc1ccc(NCC(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1 30284398 PBBRIDLRJNCONM-UHFFFAOYSA-N 323.440 3.954 0 40 DHAB NCc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 31974079 XTCLQMLQNKOLLH-UHFFFAOYSA-N 310.378 3.665 0 40 DHAB C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)s1 37020894 BHJSUOSPYWNLPB-PWSUYJOCSA-N 308.834 3.669 0 40 DHAB COC(=O)c1cc(Br)c(-c2ccccc2)cc1OC 39951726 BLOMJPDEQOVQSJ-UHFFFAOYSA-N 321.170 3.911 0 40 DHAB CCCCOc1ccc(CCNC(=O)c2occc2C)cc1 49269184 GJJKRSXPGUAEQF-UHFFFAOYSA-N 301.386 3.739 0 40 DHAB CC(C)Cc1noc(CN(Cc2ccc(F)cc2F)C2CC2)n1 52076061 NZKCILJMVOANSP-UHFFFAOYSA-N 321.371 3.711 0 40 DHAB CCN(C(=O)NCc1ccc(F)cc1)[C@@H](C)c1cccc(O)c1 58019044 DEJPHSWJNNYNAS-ZDUSSCGKSA-N 316.376 3.824 0 40 DHAB COc1cccc(NC(=O)N[C@H](C)COc2ccc(C)cc2)c1 67528173 YNDFIYGSOHEOMD-CQSZACIVSA-N 314.385 3.593 0 40 DHAB CC(C)(C)c1cc(NC(=O)c2ccccc2C(F)(F)F)[nH]n1 69536015 ISRYZGGPUUAYNN-UHFFFAOYSA-N 311.307 3.978 0 40 DHAB OC1=Nc2ccsc2[C@H](c2ccc3c(c2)OCCO3)SC1 71282882 MJIIGMHNOSUYMF-AWEZNQCLSA-N 319.407 3.944 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CCOC1 71832979 VDTBHPHNKOFCQK-APWZRJJASA-N 321.376 3.675 0 40 DHAB CN(c1ccccc1)c1ccc(CNC(=O)OC(C)(C)C)cn1 72225319 BWFQOAUMAASSHN-UHFFFAOYSA-N 313.401 3.874 0 40 DHAB CCCO[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 72273246 XIQKRXQVHMYUSF-HNNXBMFYSA-N 300.402 3.589 0 40 DHAB CS[C@H]1CCC[C@@H]1N(C)Cc1nnc(-c2ccc(F)cc2)o1 76091414 XNEZBDIKGHCAEN-KBPBESRZSA-N 321.421 3.592 0 40 DHAB C[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1Cl)c1cccnc1 77546124 PUSNPCMPPHRISS-WDEREUQCSA-N 321.783 3.996 0 40 DHAB CC(=O)Nc1c(C)ccc(NC(=O)C2(c3ccccc3)CC2)c1C 79183057 PTIGKEFVWMDMIF-UHFFFAOYSA-N 322.408 3.932 0 40 DHAB C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccncc1 80056577 PXFRBLSTBHAMDW-AWEZNQCLSA-N 319.474 3.604 0 40 DHAB CC(C)(C)OC(=O)N1CCN(c2cccc3sccc23)CC1 89195274 CCKKZUUXAAEVRO-UHFFFAOYSA-N 318.442 3.958 0 40 DHAB Cc1cscc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 89708902 GRDNDPWVDWZUOA-CYBMUJFWSA-N 317.435 3.735 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccsc1)c1ccccc1C 96105013 WTUWGNNOGMYZEB-WAVCKPEOSA-N 301.411 3.574 0 40 DHAB O=C(CCc1ccncc1)N[C@@H]1CCC[C@H]1Cc1ccccc1 96414502 FGRQBWROHQKZLD-RBUKOAKNSA-N 308.425 3.542 0 40 DHAB Cc1nc(CN(C)Cc2cccc(OC(F)(F)F)c2)oc1C 96470284 PXSFSOZXWAAVSU-UHFFFAOYSA-N 314.307 3.822 0 40 DHAB CC[C@@H](c1ccccc1)c1nnc(NCc2scnc2C)o1 97231703 USGJPIMMWDAYJF-ZDUSSCGKSA-N 314.414 3.989 0 40 DHAB CN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(F)c(F)c1 108161964 IXJJTXXCYLMTOP-UHFFFAOYSA-N 320.320 3.958 0 40 DHAB CCc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OC 113970997 TWKKEFMWAHILDK-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB Cc1ncc(CNc2ccc(Cl)c(C[S@](C)=O)c2)s1 195559053 CRRHLBMZQKYRAM-IBGZPJMESA-N 314.863 3.596 0 40 DHAB C[S@@](=O)Cc1cc(NC2CCSCC2)ccc1Cl 195559158 CQURSAOXTBKSTK-GOSISDBHSA-N 303.880 3.526 0 40 DHAB Cc1nc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)sc1C 206587451 DBJIXKZNJQRAGY-UHFFFAOYSA-N 317.345 3.806 0 40 DHAB Cc1cccc(CC(=O)N2CCS[C@@H](c3ccco3)CC2)c1 207007889 QPDHKSBWXPOCFW-QGZVFWFLSA-N 315.438 3.837 0 40 DHAB Cc1c(NC(=O)OC(C)(C)C)ccc2nc(C(=O)O)ccc12 256052185 MGGONCVLTHLITQ-UHFFFAOYSA-N 302.330 3.588 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(C)n2)cc1 257173872 ZSDLVIGBWPYXDJ-GASCZTMLSA-N 324.424 3.615 0 40 DHAB c1ccc2c(c1)CCC[C@@H]2c1noc(-c2cc3n(n2)CCCC3)n1 333882442 WPMZJPMYDAVHIS-INIZCTEOSA-N 320.396 3.738 0 40 DHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccoc1 606440695 PNCYTYMAPQQRPZ-NSHDSACASA-N 319.407 3.533 0 40 DHAB O=C1c2ccccc2-c2nc3cc(C(F)(F)F)ccc3nc21 90624 DRNFAQYCEWHDQS-UHFFFAOYSA-N 300.239 3.860 0 40 DHAB O=C(CC(O)(c1ccccc1)c1ccccc1)Nc1ccccc1 191499 JZQUVCIYAFVYOL-UHFFFAOYSA-N 317.388 3.951 0 40 DHAB Cc1cc(C)n(CC(=O)n2c3c(c4ccccc42)CCCC3)n1 283808 QYNLZODMBBQGCT-UHFFFAOYSA-N 307.397 3.674 0 40 DHAB CCc1ccc(C)c(OC(=O)c2ccc(OC)c(OC)c2)c1 364998 ZUGGPMDWSSMYLJ-UHFFFAOYSA-N 300.354 3.794 0 40 DHAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccnc1 503367 FBRAFROXJDKRPK-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB CCn1cc(C(=O)CCP(=O)(OC)OC)c2ccccc21 1602649 QWKBOONBXATYNA-UHFFFAOYSA-N 309.302 3.720 0 40 DHAB Cc1ccc(N2CCN(C(=S)c3cccs3)CC2)cc1 1730960 VLLUDPJTCFDJAV-UHFFFAOYSA-N 302.468 3.554 0 40 DHAB O=C(COC(=O)c1ccccc1Cl)Nc1cccc(Cl)c1 1961892 NLMOBWRYCBCYOH-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccccc3)c2c1 2338091 DCUJBDTYGVUEBM-CSKARUKUSA-N 304.393 3.848 0 40 DHAB C[C@H]1CC[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 4188610 ASDQMGPJYCIRJK-JMJZKYOTSA-N 312.196 3.919 0 40 DHAB CCOc1ccc([C@H]2CC(c3cccs3)=NN2C(C)=O)cc1 4317923 GOSKNFHXBINBND-MRXNPFEDSA-N 314.410 3.844 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1 5575469 GBNCIDDPPXNDPL-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB Cc1cc2oc(=O)cc(CSc3ncn[nH]3)c2cc1C(C)C 5737011 FRSJPQHVJUSGAF-UHFFFAOYSA-N 315.398 3.635 0 40 DHAB O=C(Nc1cccnc1)c1cccc(OCc2ccccc2)c1 5799899 YCLQPHNWOGETAR-UHFFFAOYSA-N 304.349 3.913 0 40 DHAB Cc1cccc(N2C[C@H](c3nc4ccc(C)cc4[nH]3)CC2=O)c1 5818501 WHQREXARRQGGNL-CQSZACIVSA-N 305.381 3.700 0 40 DHAB Cc1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1 5867541 PBQOJLGCYQYXSO-UHFFFAOYSA-N 301.345 3.944 0 40 DHAB CCOc1ccc(CN(C)C(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 6335698 YGMORZHJFDBGKQ-ZMSDIMECSA-N 318.486 3.580 0 40 DHAB Cc1ccc(-c2nnc(Cn3c(C)nc4ccccc43)o2)cc1 6719409 ZTUFTTBCINEELZ-UHFFFAOYSA-N 304.353 3.751 0 40 DHAB COc1ccccc1CC(=O)NCc1cccc(C(F)(F)F)c1 6879459 FMMHMPDEQHSJDU-UHFFFAOYSA-N 323.314 3.573 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2ccc(C)c(C)c2)cc1 7582726 YXFOGXBYYBEUKY-UHFFFAOYSA-N 314.454 3.977 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1C 8041438 DHRVZNXYVRLGQS-MRXNPFEDSA-N 301.361 3.608 0 40 DHAB Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c2c1 8558682 PBIVVYLCPSRKBV-UHFFFAOYSA-N 315.373 3.741 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2Cl)c1C 9954596 LTTRIABDWQKWHN-UHFFFAOYSA-N 318.804 3.760 0 40 DHAB O=C(NC1CCCCCC1)c1nc(-c2cccc3[nH]ccc23)no1 12409564 JULDIIHJWPLDBF-UHFFFAOYSA-N 324.384 3.671 0 40 DHAB CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1sccc1C 13014128 SSADGDVLHRJWRD-HNNXBMFYSA-N 302.374 3.893 0 40 DHAB Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(N)=S)cc1 13675234 OAFOIZLJFMIKPR-MRXNPFEDSA-N 313.401 3.529 0 40 DHAB CCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1OCC 13843885 ZFDGRJLYJLYCRW-UVTDQMKNSA-N 321.398 3.588 0 40 DHAB CCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14301588 APIGZEXNQJCZGO-UHFFFAOYSA-N 321.380 3.934 0 40 DHAB COc1ccccc1CCNC(=O)c1ccccc1C(F)(F)F 14603582 AJXSDLUBBKCVCF-UHFFFAOYSA-N 323.314 3.687 0 40 DHAB Cc1ccn2c(=O)cc(COc3cccc4ccccc34)nc2c1 14738411 MWLXFDHSXUDNBO-UHFFFAOYSA-N 316.360 3.735 0 40 DHAB C=Cn1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)n1 19584205 MMZDMBHLBLOTBX-MRXNPFEDSA-N 321.428 3.548 0 40 DHAB C[C@@H]1CNc2ccccc2N(Cc2ccccc2Cl)C1=O 21793401 WRUYWUZCEXHLHL-GFCCVEGCSA-N 300.789 3.935 0 40 DHAB CC(C)OCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 22698762 HEGAHHVLGCPZRD-UHFFFAOYSA-N 322.792 3.540 0 40 DHAB Clc1cc(CSc2nccn2C2CC2)cc2c1OCCO2 26426166 OAIFAUCISIMTSE-UHFFFAOYSA-N 322.817 3.935 0 40 DHAB CC(=O)Nc1ccccc1OCc1cc(F)cc2cccnc12 31606688 MPVGWQLNCXNHSJ-UHFFFAOYSA-N 310.328 3.911 0 40 DHAB Cc1cccc(C(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)c1 32818360 SUZWGIFKBFYTCK-UONOGXRCSA-N 315.335 3.615 0 40 DHAB COc1ccc([C@@H](NC(=O)c2ccnc(Cl)c2)C2CC2)cc1 32848506 SFPPVIRVUCIVCI-INIZCTEOSA-N 316.788 3.625 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 38772576 FRCBLFOKDPPHBN-NSHDSACASA-N 305.761 3.755 0 40 DHAB COc1ccccc1NC(=O)NCCOc1cc(C)cc(C)c1 38901168 AUUUIKZOMKRTAG-UHFFFAOYSA-N 314.385 3.513 0 40 DHAB Cc1occc1C(=O)N1CCCC[C@H]1c1nc(CC(C)C)no1 41123876 KYHSPHWCCUENAX-AWEZNQCLSA-N 317.389 3.537 0 40 DHAB CN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 44910175 FNQZKGLAPAJKTF-GOSISDBHSA-N 308.425 3.562 0 40 DHAB Cc1noc(C(C)C)c1C(=O)NCc1nc2ccccc2s1 48374747 PBIBPVFWRHKTRI-UHFFFAOYSA-N 315.398 3.646 0 40 DHAB COc1cc(NC(=O)Nc2ccc(OC)cc2C)cc(OC)c1 51355832 ARFZOJNQCLGLMV-UHFFFAOYSA-N 316.357 3.665 0 40 DHAB C[C@@H](CNC(=O)c1cc2ccccc2s1)N1CCCCC1 55933592 KPMOCSPSDYAQLY-ZDUSSCGKSA-N 302.443 3.506 0 40 DHAB O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)NC1CC1 58208513 JFIKJVHVRRNJNK-UHFFFAOYSA-N 319.380 3.628 0 40 DHAB O=C(NCC1CCC1)c1nn(-c2ccccc2)c2c1CCCCC2 58357817 MARLLYUMRNFVSF-UHFFFAOYSA-N 323.440 3.671 0 40 DHAB O=C(NO[C@@H]1CCCCO1)c1ccccc1Nc1ccccc1 60333149 HCXSHWGHGSVYLJ-QGZVFWFLSA-N 312.369 3.618 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cnn(Cc3ccncc3)c2)C1(C)C 65566167 XNUZINIUJVYDOW-IRXDYDNUSA-N 324.428 3.503 0 40 DHAB Cc1nc(CSc2nnc(Cc3cccc(F)c3)o2)cs1 67754575 WJTFTMSVEHAWKA-UHFFFAOYSA-N 321.402 3.857 0 40 DHAB Cc1nn(C)c(C)c1CCC(=O)N1CCCCC[C@H]1C(C)(C)C 69892789 QVBIHHQDFJABCH-KRWDZBQOSA-N 319.493 3.787 0 40 DHAB CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)OCCS3)cc1 70637247 GYRAYPJQTQHVLP-UHFFFAOYSA-N 319.470 3.680 0 40 DHAB CCOC(=O)c1cn(C(C)C)c2cc(Cl)c(F)cc2c1=O 73310706 RHSNBXZAGPQLEA-UHFFFAOYSA-N 311.740 3.552 0 40 DHAB c1ccc(-c2n[nH]cc2CNc2ccn(-c3ccccc3)n2)cc1 79108743 MLFXASPHKATKKC-UHFFFAOYSA-N 315.380 3.875 0 40 DHAB CC(=O)N1CC[C@H](N[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 84714644 QJGMSJQMTNSQOO-SIFCLUCFSA-N 310.441 3.747 0 40 DHAB CC[C@H](C(=O)NCc1nc(-c2ccccc2)c[nH]1)c1ccccc1 85557857 PWGZVNILWZBMCM-KRWDZBQOSA-N 319.408 3.887 0 40 DHAB CC(=O)c1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1C 89411975 MRAOHIHCCKIJKK-GOSISDBHSA-N 322.364 3.654 0 40 DHAB Cc1noc([C@H](C)SCc2cnn(-c3ccccc3)c2)n1 89718587 WTFTYWOFMUFYEH-NSHDSACASA-N 300.387 3.558 0 40 DHAB CC(C)c1nn(C)c2sc(C(=O)N3C[C@H]4CCC[C@@H]4C3)cc12 89891218 SCLONRASZCINDM-VXGBXAGGSA-N 317.458 3.630 0 40 DHAB CCc1sc([C@H](C)NC(=O)[C@@H](O)c2ccccc2)cc1C 95979628 VBSVNMCWFKPTKH-LRDDRELGSA-N 303.427 3.530 0 40 DHAB CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccco1)CC2 96049266 XEIBQIWRINVXMF-UHFFFAOYSA-N 318.461 3.530 0 40 DHAB CCN1C[C@H]2CCC[C@@H](C1)C2CC(=O)Nc1cccc(F)c1 96252220 KNPPUMQGRDGDBQ-VMZNBEPHSA-N 304.409 3.522 0 40 DHAB Cc1ccsc1-c1nnc(NC(=O)c2cccc(F)c2)s1 96346728 SDYFDOIEPXGZSC-UHFFFAOYSA-N 319.386 3.966 0 40 DHAB C[C@H](Cc1ccsc1)NC(=O)N[C@@H](c1nccs1)C1CC1 96439355 TUIMFSCRMFFITI-ZWNOBZJWSA-N 321.471 3.586 0 40 DHAB O=[S@](Cc1ccccc1)Cc1ncc(Cl)cc1Cl 97148213 GAVXONFOFAMJNF-SFHVURJKSA-N 300.210 3.837 0 40 DHAB C[C@@H]1CC[C@@H](OC(=O)CCC(=O)NC2CCCCC2)C[C@H]1C 103237614 CTEKOCWIQAXHMQ-IIAWOOMASA-N 309.450 3.583 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 113948561 QIOJJCXDPCMINK-KBPBESRZSA-N 301.361 3.779 0 40 DHAB C[S@](=O)C[C@H](NCc1coc2ccccc12)c1ccccc1 154696721 LNNMUBGYCFMQJT-HTAPYJJXSA-N 313.422 3.642 0 40 DHAB OCc1cc(C(F)(F)F)c(Br)cc1C(F)(F)F 199715634 YXZOWKSRDZTTTR-UHFFFAOYSA-N 323.030 3.979 0 40 DHAB COC(=O)[C@@H](C(C)C)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223212726 NCXCRHORZUETBD-SUMWQHHRSA-N 319.445 3.985 0 40 DHAB CCCNC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224094392 AUFQGNNUKSNBLC-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 224906814 ICMPQBPNZPVQRV-UHFFFAOYSA-N 307.390 3.658 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)cc2)cc1 225640531 ICHQTANVLCRDJD-ZDUSSCGKSA-N 318.417 3.888 0 40 DHAB Cc1cc(C)c(C(=O)NCCSCc2ccco2)cc1C 225641942 BADYJIRGHOWHFJ-UHFFFAOYSA-N 303.427 3.868 0 40 DHAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(F)cc1 225782152 ZIBUJDBQMBQKOI-LBPRGKRZSA-N 304.390 3.580 0 40 DHAB CNc1cccc(CC[C@@H]2CCCCN2Cc2ccccn2)n1 257227699 FQMQOAPBKDLIHM-SFHVURJKSA-N 310.445 3.506 0 40 DHAB O=C(Nc1ccc2nccnc2c1)N1CC[C@@H](c2ccccc2)C1 408735235 MRHXGZNHOXSCNQ-OAHLLOKOSA-N 318.380 3.651 0 40 DHAB C[C@H](N[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccccc1 539304036 SVNUVVYEWJEVLF-KBXCAEBGSA-N 312.388 3.672 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 575361304 WSKYMUKQYZCIEJ-UHFFFAOYSA-N 308.683 3.883 0 40 DHAB Cc1cc(F)ccc1Cc1noc(-c2noc3c2CCCC3)n1 576067585 OXMYYBOHEVWJKS-UHFFFAOYSA-N 313.332 3.642 0 40 DHAB O=C(CSC1CCCC1)NCC(c1ccco1)c1ccco1 1888911931 BLCSQOUHRFYXND-UHFFFAOYSA-N 319.426 3.797 0 40 DHAB O=C1c2ccccc2C(=O)N1OCc1ccc(Cl)cc1Cl 153395 BHFKZJCVIZMUPI-UHFFFAOYSA-N 322.147 3.721 0 40 DHAB CC(C)C(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl 365561 QKGXSSMNXHRFKZ-UHFFFAOYSA-N 322.836 3.997 0 40 DHAB COc1cccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c1 385087 ZYIXVXACLHQIIK-UHFFFAOYSA-N 315.131 3.788 0 40 DHAB CC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCCC3 533322 MFSMDRGLYUVOSG-CYBMUJFWSA-N 314.381 3.727 0 40 DHAB CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(C)c(Cl)ccc21 1564409 IGZPCCKOBBOJAF-INIZCTEOSA-N 307.777 3.782 0 40 DHAB CC[C@@H](C)NCCOC(=O)C(c1ccccc1)c1ccccc1 1710543 GOVLDUBOOKNYLA-MRXNPFEDSA-N 311.425 3.750 0 40 DHAB CCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccccc1-2 2503167 YQYMXGZNSDCOOO-LBPRGKRZSA-N 302.403 3.581 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 3094732 MHUFBSHKGRBQKW-HZPDHXFCSA-N 319.401 3.695 0 40 DHAB CC1(C)CC(=O)c2sc(NC(=O)Nc3ccccc3)nc2C1 3107838 KVLBLSFIJOTVSW-UHFFFAOYSA-N 315.398 3.942 0 40 DHAB CSc1nc2ccc(NC(=O)c3cc(C)on3)cc2s1 3357107 FISXGOMSALRWFK-UHFFFAOYSA-N 305.384 3.567 0 40 DHAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc2c(c1)OCCO2 3506305 BSEWPAXREQQYFF-QPEQYQDCSA-N 313.740 3.604 0 40 DHAB COc1ccc(OCCCC(=O)Nc2cc(F)ccc2F)cc1 3611328 HBABERZESZYWMC-UHFFFAOYSA-N 321.323 3.771 0 40 DHAB c1ccc(CN2CCC(Nc3ncnc4ccccc34)CC2)cc1 4117927 PKOZJSLFKWQNLD-UHFFFAOYSA-N 318.424 3.706 0 40 DHAB COc1ccc(C)c2sc(NC(=O)c3cccs3)nc12 4264300 GTMGIMSFXBIDAH-UHFFFAOYSA-N 304.396 3.927 0 40 DHAB CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cn1 4858209 SLUAHOMMJHUXCO-UHFFFAOYSA-N 315.348 3.602 0 40 DHAB COc1cc(-c2nnc(SCC(C)C)o2)cc(OC)c1OC 5019840 VNNXHNNNMDJXND-UHFFFAOYSA-N 324.402 3.511 0 40 DHAB c1ccc2sc(COc3ccc(-c4nnco4)cc3)nc2c1 5429325 FRXZMWPSEAFNTP-UHFFFAOYSA-N 309.350 3.925 0 40 DHAB CC[C@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccccc3)=NN21 5529599 MIYYOWVPCDXHJW-FUHWJXTLSA-N 308.381 3.975 0 40 DHAB Cc1ccc(C)c(COC(=O)c2cc3ccccc3oc2=O)c1 5739040 WUUUTXACPHZRSL-UHFFFAOYSA-N 308.333 3.767 0 40 DHAB Cc1cc2occ(CC(=O)Oc3ccc4c(c3)OCO4)c2cc1C 7060325 CLYJXVHSGIJLAU-UHFFFAOYSA-N 324.332 3.926 0 40 DHAB CCOC(=O)c1c(NC(=O)CC(C)(C)C)sc2c1CCC2 7141471 NWJAMLSCYJOWQO-UHFFFAOYSA-N 309.431 3.788 0 40 DHAB C[C@H]1c2ccsc2CCN1C(=O)Cc1c[nH]c2ccccc12 7829374 YGVDHIOEHBJAPS-LBPRGKRZSA-N 310.422 3.918 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)Cn1ccc(C(F)(F)F)n1 8275200 IWVQJVSGZZDGNR-UHFFFAOYSA-N 317.698 3.502 0 40 DHAB CN(C)CCCNc1nc(-c2ccc3c(c2)CCC3)cs1 8327595 CYFOUHUGIFYDKI-UHFFFAOYSA-N 301.459 3.662 0 40 DHAB Cc1nc2cc(C(=O)N3CCCC3)ccc2n1-c1ccccc1 9338206 GJDRFLLRMBQBRE-UHFFFAOYSA-N 305.381 3.570 0 40 DHAB CCONC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 11739893 GHMAXIGUAMLKLD-UHFFFAOYSA-N 310.328 3.722 0 40 DHAB COc1ccc(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 12141940 NYZIGUNJJZIOIO-CQSZACIVSA-N 319.401 3.525 0 40 DHAB O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCCCC1 12507018 VDBYRQFNNPOKDW-UHFFFAOYSA-N 319.408 3.711 0 40 DHAB O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2 13973226 IYTOJTJFRFAWIZ-UHFFFAOYSA-N 305.333 3.750 0 40 DHAB S=c1n(C2CC2)cnn1CN1CCC[C@H]1c1cccs1 14184664 KCFRLFAPYAEURG-LBPRGKRZSA-N 306.460 3.605 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1C 15085334 WZGUYKQJDLLBOR-UHFFFAOYSA-N 304.777 3.708 0 40 DHAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ncccc1O 22263577 WUMLSIAFJGHKDQ-UHFFFAOYSA-N 318.376 3.948 0 40 DHAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3F)cc2c1 25950263 LOZHJAQJOMOTDB-UHFFFAOYSA-N 310.328 3.943 0 40 DHAB O=C(CCC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 26946830 QFJULMFNJGPHNX-UHFFFAOYSA-N 311.425 3.735 0 40 DHAB Cc1ccc2c(c1)SCC(=O)N2C(=S)Nc1ccccc1 28527767 ZIXAAOIXEIBOBQ-UHFFFAOYSA-N 314.435 3.831 0 40 DHAB Cn1ccnc1[C@@H](NCc1ccc(F)cc1)c1ccc(F)cc1 30644244 YYJXOLCJYSJXQK-KRWDZBQOSA-N 313.351 3.578 0 40 DHAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)n[nH]2)s1 32031894 HJRKXKAMRGNWRI-UHFFFAOYSA-N 323.421 3.645 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(Cl)c1 40074789 NJAYROVUADOBIT-JTQLQIEISA-N 312.797 3.500 0 40 DHAB CCCC[C@@H](CC)CNC(=O)CCc1ccc(OC)c(OC)c1 40994835 HNVRJWGZFDKOHL-OAHLLOKOSA-N 321.461 3.969 0 40 DHAB Cc1ccc(-c2nc(CN(C[C@@H]3CCOC3)C3CC3)cs2)o1 44975366 HJEMSAFUUXKMJG-ZDUSSCGKSA-N 318.442 3.712 0 40 DHAB O=C(O)Cc1ccc(OCc2coc(-c3cccs3)n2)cc1 48300148 SRGSDXFNJFWRPD-UHFFFAOYSA-N 315.350 3.609 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)N(C)C(C1CC1)C1CC1 51239925 IJLVQGQRWHXMEV-LBPRGKRZSA-N 302.418 3.586 0 40 DHAB Cc1ccc(C[C@@H]2CCCN(C(=O)NCc3ccncc3)C2)cc1 51675320 HTYDJGJTTKNMFX-IBGZPJMESA-N 323.440 3.554 0 40 DHAB Cc1cccc(NC(=S)NCc2nc(-c3ccccc3)no2)c1 52410772 WNBRHAOHIVNEJX-UHFFFAOYSA-N 324.409 3.532 0 40 DHAB CCO[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 58249104 CTDKUPGZPPCAAN-LLVKDONJSA-N 316.323 3.738 0 40 DHAB COc1ccc(CCNC(=O)Nc2cccc3[nH]ccc23)cc1 60349742 SCTIWROLKPSCLJ-UHFFFAOYSA-N 309.369 3.541 0 40 DHAB biogenic CC(C)N(Cc1cccnc1)C(=O)NCCC1=CCCCC1 69417089 MYOMQQMTMCPQGM-UHFFFAOYSA-N 301.434 3.892 0 40 DHAB CCc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(C)cc2)cc1 72328917 XYIJLPQBZUTQKT-UHFFFAOYSA-N 319.408 3.878 0 40 DHAB O=C(NCc1ccccc1C(F)(F)F)c1cc(F)ccc1F 72331767 VEJLBUXFHCTQGJ-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB COc1ccccc1C[C@@H](C)N(C)C(=O)c1ncoc1C(C)C 72501878 MTHZSTPOBFCYFN-CYBMUJFWSA-N 316.401 3.510 0 40 DHAB O=C(c1cscn1)N(CCC(F)(F)F)C1CCCCC1 79055275 JRYJKJTVBZAEKV-UHFFFAOYSA-N 306.353 3.870 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc(F)c1 80345649 INDBNDTVQTVXII-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB O=C(CC[C@H]1CCCO1)N1CC[C@@H](CSc2ccccc2)C1 81287151 NVOURHKYUIVOLI-HZPDHXFCSA-N 319.470 3.586 0 40 DHAB CC(C)c1ocnc1C(=O)Nc1cccc(Oc2cccnn2)c1 81740455 YWDGIWSJOWKALB-UHFFFAOYSA-N 324.340 3.633 0 40 DHAB C[C@H]1OCC[C@@H]1SCCOc1ccccc1Br 95982659 HBFXBCXHXUIOFG-MFKMUULPSA-N 317.248 3.739 0 40 DHAB C[C@H](NCc1nccn1CCc1ccccc1)c1ccccc1 96479143 YFYJNCWDOXHAJU-KRWDZBQOSA-N 305.425 3.977 0 40 DHAB Cc1cc(OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)ccc1Cl 100280597 IJIYLATWTIZDHQ-IAGOWNOFSA-N 322.788 3.676 0 40 DHAB Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(C)C)cc1 100424496 HIUKSAQLQLHGAY-ROUUACIJSA-N 315.461 3.910 0 40 DHAB O=C(NCCSc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104809930 MIQYUIYBGONIGV-SLEUVZQESA-N 309.862 3.985 0 40 DHAB O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1C[C@H]2CC[C@H]1C2 106167662 URLNEFRHRKGBJM-FBUXBERBSA-N 320.230 3.564 0 40 DHAB O=C(Cc1ccccc1)N1CCS[C@@H](c2ccccc2)CC1 208040051 SXJIVVPIJSMHGQ-GOSISDBHSA-N 311.450 3.936 0 40 DHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222768986 VFGXUPNSZOXNSK-STQMWFEESA-N 323.874 3.789 0 40 DHAB COc1ccc(C(C)C)cc1S(=O)(=O)N(C)c1ccccc1 223262848 XHBIFHNQMNZAJS-UHFFFAOYSA-N 319.426 3.644 0 40 DHAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC)c(C)c1)C1CC1 225673262 YFBMTHMSZOVUNJ-GOSISDBHSA-N 305.418 3.928 0 40 DHAB CCc1nsc(N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 273274589 ICTYSPWZNRJVBE-KBPBESRZSA-N 321.421 3.596 0 40 DHAB C[C@H]1c2cccn2CCN1CCCOc1ccc(Cl)cc1 589177833 ZMGNSEZTPNFXQZ-AWEZNQCLSA-N 304.821 3.987 0 40 DHAB Cc1cnn(CC2CN(c3nc4c(Cl)cccc4s3)C2)c1 1889166618 GTSQCUUCRAIELS-UHFFFAOYSA-N 318.833 3.591 0 40 DHAB Cn1c(-c2ccccc2Cl)nn(CN2CCCCC2)c1=S 63547 FVJWFCLGPGCRLK-UHFFFAOYSA-N 322.865 3.715 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(O)c(Br)c2)cc1 84049 YHKCPLDPVMXVTQ-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB O=C(c1ccc(Cl)cc1Cl)C(Cl)(Cl)n1cncn1 507065 FHFQDHJORXAKRW-UHFFFAOYSA-N 324.982 3.556 0 40 DHAB CCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)nc1 1352789 ZPNZMYBHFIPXGC-UHFFFAOYSA-N 317.776 3.726 0 40 DHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)NC1CCCCC1)C2 1369833 LRLKVCCHWYVSDI-IAGOWNOFSA-N 323.550 3.579 0 40 DHAB COc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)O)cc1 1404968 CXLNHDUDRXQRGT-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1F 3487381 MOMWWZHIBXBNMC-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB O=c1ccc(/C=C/c2ccccc2)nn1Cc1ccc(F)cc1 4041743 JZKNTPNSXNSIBW-DHZHZOJOSA-N 306.340 3.601 0 40 DHAB CCCc1ncc([C@](O)(c2ccccc2)c2ccc(C)cc2)n1C 4494532 HJNXALNUPFFVRE-NRFANRHFSA-N 320.436 3.965 0 40 DHAB CCCCCc1nnc2n1N=C(c1ccc(C)cc1)CS2 4614543 KBTMNZLUIIAHEH-UHFFFAOYSA-N 300.431 3.677 0 40 DHAB O=C(O)c1ccc(N2Cc3ccc(Br)cc3C2)cc1 4640181 VEHDSCQBOJTZRM-UHFFFAOYSA-N 318.170 3.668 0 40 DHAB CCC(=O)N[C@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998174 ITJUZXFJWLTAGB-LLVKDONJSA-N 301.390 3.621 0 40 DHAB Cc1ccc(CSc2nnc3ccc(-c4ccco4)nn23)cc1 5168146 VRPIMSZOTPFOII-UHFFFAOYSA-N 322.393 3.985 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1C 5697570 IITAXJLAKZGALW-UHFFFAOYSA-N 307.390 3.860 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2 5897331 CBIDVSQVLCNMOW-UHFFFAOYSA-N 314.385 3.506 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)Cc1c(F)cccc1Cl 6309443 NXGOXWXHPDCAKE-NSHDSACASA-N 321.779 3.908 0 40 DHAB O=Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1 6610300 KJQWAQHMYPBCTR-UHFFFAOYSA-N 300.745 3.581 0 40 DHAB Cc1ccc(-c2nnc([C@H](C)Sc3cccc[n+]3[O-])o2)cc1 6988598 NXWWXNXMYLWJTK-LBPRGKRZSA-N 313.382 3.532 0 40 DHAB COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1O 7155650 CPLHEKOWTPGZBR-WUXMJOGZSA-N 301.729 3.547 0 40 DHAB O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 8684953 GKSGDCAFEVTBHR-UHFFFAOYSA-N 305.312 3.520 0 40 DHAB CCC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(F)cc1 8884122 BLFCZPGTEGVOAZ-UHFFFAOYSA-N 319.307 3.575 0 40 DHAB C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 9378159 ANDSXQVZUKOQTA-CYBMUJFWSA-N 324.359 3.894 0 40 DHAB CCc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(N)nn32)cc1 13132136 LZSJKABBTONJNC-IRXDYDNUSA-N 319.412 3.569 0 40 DHAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccccn1 13692838 WPLRNLSXZGLTBG-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB Cc1ccc(C)c(-c2csc(NC(=O)c3cnc(C)cn3)n2)c1 14085434 OJSUMKRQLDMNOK-UHFFFAOYSA-N 324.409 3.778 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2Br)cc1N 20195027 PHUSICXDVHMGGE-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB COc1ccccc1CCCNC(=O)Cc1cc(C)ccc1C 20483703 XHASTVGVQSCKML-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB Oc1c(Br)cc(Br)cc1C(F)(F)F 21303615 DJPAQOCIUDXBHK-UHFFFAOYSA-N 319.902 3.936 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2sccc2C)c1 23099578 PUJFFMUQAWPHGJ-LLVKDONJSA-N 305.399 3.565 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 23530214 HIFOIXBBFZNDJE-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cccs1 25057538 ZQJWQOIIYXOQFF-JTQLQIEISA-N 315.373 3.768 0 40 DHAB CC(=O)N[C@@H](CC(=O)N[C@H](C)CCC(C)C)c1ccc(C)cc1 25349412 RKEHKCSRAHWVKU-QAPCUYQASA-N 318.461 3.503 0 40 DHAB Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(O)c1 28199071 CZBHOGMBUHHDMQ-UHFFFAOYSA-N 309.409 3.796 0 40 DHAB CCc1cc(C(N)=O)c(NC(=O)CCC2CCCCC2)s1 28226107 GRLVJHZOEZWTAH-UHFFFAOYSA-N 308.447 3.708 0 40 DHAB CCCc1nnc(NC(=O)COc2ccccc2C(C)C)s1 28284461 BYKNSVROGCAKJA-UHFFFAOYSA-N 319.430 3.632 0 40 DHAB COc1ccc(CCNC(=O)Nc2ccccc2Cl)cc1 32579193 KCFDGXYUHBRYHC-UHFFFAOYSA-N 304.777 3.713 0 40 DHAB CN(Cc1ccc(F)cc1)C(=O)c1sccc1-n1cccc1 32895968 KWOFMRMURDXHDV-UHFFFAOYSA-N 314.385 3.950 0 40 DHAB O=C(NCc1ccco1)c1csc(-c2cc3ccccc3[nH]2)n1 36708153 BVYHNMIDVUYIFJ-UHFFFAOYSA-N 323.377 3.814 0 40 DHAB O=C(Nc1c(F)cccc1F)N1CC[C@H](c2ccccc2)C1 38567346 HATGOTWAHIICLN-ZDUSSCGKSA-N 302.324 3.986 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)cn1 45020855 RBCPKLFCIBNVHV-SECBINFHSA-N 310.806 3.686 0 40 DHAB O=C(C[C@H]1CCCO1)NCc1cccc(Oc2ccccc2)c1 47110741 XSZCFJKIQHIHHS-QGZVFWFLSA-N 311.381 3.664 0 40 DHAB CCCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 47700711 WHORDNDDDSXQGD-UHFFFAOYSA-N 321.774 3.676 0 40 DHAB Cc1ccc2[nH]c([C@H]3CCN(C(=O)c4ccccc4)C3)nc2c1 49168696 GKJSWASVLAQECW-HNNXBMFYSA-N 305.381 3.501 0 40 DHAB biogenic,in-vitro CCOC(=O)c1ccccc1NC(=O)Nc1cc(F)ccc1F 51354415 DDBDPGATRLMPEH-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)C2CCCCC2)cc1 52169260 QVQBUKXHJWEZMW-UHFFFAOYSA-N 302.462 3.725 0 40 DHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCCCC1 54584193 DOSPAVYHOVAZPD-UHFFFAOYSA-N 318.804 3.940 0 40 DHAB C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H](C)O1 54675192 AXOXDGJSSWQIOC-UWVGGRQHSA-N 324.833 3.646 0 40 DHAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@H]1CC1CCCCC1 58290862 QYTSQCOHYOEKSX-AWEZNQCLSA-N 322.836 3.603 0 40 DHAB COCCOc1c(Cl)cccc1NC(=O)C[C@@H]1C=CCC1 58313400 JYSKUZGKHNSOAL-GFCCVEGCSA-N 309.793 3.660 0 40 DHAB O=C(c1ccc2c(c1)OCO2)N(Cc1ccco1)C1CCCC1 58377822 XGHPPJXHFWYVAQ-UHFFFAOYSA-N 313.353 3.593 0 40 DHAB CCOc1cccc2c1OCC(C(=O)Nc1ccc(C)cc1)=C2 60500344 RVPAVMCHRCSCAK-UHFFFAOYSA-N 309.365 3.808 0 40 DHAB Cn1nc2c(c1NC(=O)c1ccc(C(C)(C)C)cc1)CSC2 61721698 HLNALKRYECBESM-UHFFFAOYSA-N 315.442 3.717 0 40 DHAB Cc1ccccc1SCC(=O)NCc1cc2ccccc2[nH]1 62582490 PXZVBEFEATZZSP-UHFFFAOYSA-N 310.422 3.885 0 40 DHAB O=C(NCC1CCCCCCC1)c1c[nH]c2ccccc2c1=O 65801631 WFZMPAHAGLZIQN-UHFFFAOYSA-N 312.413 3.618 0 40 DHAB Cc1ccc(COC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 67244987 SDFRBDXMQKTJGM-MRXNPFEDSA-N 313.372 3.704 0 40 DHAB CC(C)c1noc(COc2ccc(Oc3ccccn3)cc2)n1 69775229 OEQSEOIXQZLCHV-UHFFFAOYSA-N 311.341 3.959 0 40 DHAB C[C@@H](c1nc(C2CC2)no1)N1CCc2[nH]c3ccccc3c2C1 69930498 USOQXUBCHOCLNL-NSHDSACASA-N 308.385 3.548 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3cnnc3)cc2)cc1 72229775 SDIMWDWHJHPXRI-UHFFFAOYSA-N 320.396 3.817 0 40 DHAB CC(C)C[C@H](CCO)CNC(=O)c1cc2c(s1)CC[C@H](C)C2 72311633 OLUBUXGZBCSTMM-KBPBESRZSA-N 323.502 3.647 0 40 DHAB O=C(Nc1cccc(C(F)F)c1)N[C@H](CCO)c1ccccc1 77697807 DJYNNDYWAIORBS-OAHLLOKOSA-N 320.339 3.869 0 40 DHAB CS[C@H]1CC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 80847684 HYCMOAINJBBGBA-ONGXEEELSA-N 303.880 3.734 0 40 DHAB Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)CC(C)C 84013660 ZBECVSCEMZURFN-UHFFFAOYSA-N 305.353 3.645 0 40 DHAB C[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1nc2ccccc2s1 84638300 DNRBXPNUZGKPFZ-QWHCGFSZSA-N 300.427 3.872 0 40 DHAB CNC(=O)c1cccc(CN[C@H](C)c2oc3ccccc3c2C)c1 95420954 AANAPKDVBKEAFZ-CQSZACIVSA-N 322.408 3.952 0 40 DHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)c1ccc(Cl)cc1 95974875 CRZFOQASGDSQTA-OAHLLOKOSA-N 320.772 3.664 0 40 DHAB O[C@H](c1ccc(Cl)cc1)C1CCN(Cc2ccncc2)CC1 97600569 QVUXEUDCZAGHJD-GOSISDBHSA-N 316.832 3.681 0 40 DHAB CCC(=O)OC1(C)C[C@H]2C[C@@H](CN(C(=O)C3CCCCC3)C2)C1 102140358 GVCBWVSRJLNKMT-HUUCEWRRSA-N 321.461 3.537 0 40 DHAB Cc1cccc(OCC(=O)NCCCc2ccccc2Cl)c1 222753720 OMXDIXNWDSPJPU-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB CSc1ccccc1C(=O)NCCOc1cccc(C)c1C 223902176 GASAMFNXAPQEIP-UHFFFAOYSA-N 315.438 3.834 0 40 DHAB CCOc1ccccc1Nc1ccc(N)cc1C(=O)OC(C)C 225479088 CDWQUEJTBNJIRR-UHFFFAOYSA-N 314.385 3.976 0 40 DHAB CC1(C)C[C@@H](NC(=S)Nc2ccncc2)c2ccccc2O1 225579554 SJWJJIFIMZJOKT-CQSZACIVSA-N 313.426 3.670 0 40 DHAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 225859193 MHAPELYMZGBXJZ-UHFFFAOYSA-N 310.397 3.931 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)c(C)cc2N)c1 226358982 AGQZBPXETRWFNF-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 226724843 GNUQLAUHEYANBI-IXDOHACOSA-N 305.462 3.528 0 40 DHAB O=C(/C=C/c1ccccc1)NC1(c2cccs2)CCOCC1 390826736 BKQFXILUUMQYQK-CMDGGOBGSA-N 313.422 3.583 0 40 DHAB CCC1=N/C(=C\c2c(C)nn(-c3ccc(C)cc3C)c2C)C(=O)O1 408998900 QTKCTAYOHSEQIY-YBEGLDIGSA-N 323.396 3.812 0 40 DHAB CC(C)Cn1c(Sc2ccccn2)nnc1-c1ccncc1 409100982 ODNAJOZJCDEUQH-UHFFFAOYSA-N 311.414 3.542 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)NC1CCC(F)(F)CC1 534939386 VAORELIPSOMCCK-UHFFFAOYSA-N 300.324 3.545 0 40 DHAB CN(C)[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 575608608 ORLUAKQPPLQENK-ZBFHGGJFSA-N 312.413 3.508 0 40 DHAB CCCOc1cccnc1C(=O)N1CCc2cc(C)c(C)cc21 585082215 GFTNHVRBVHJDET-UHFFFAOYSA-N 310.397 3.690 0 40 DHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccsc1 1775967418 QQBANYUOJYSDEO-NSHDSACASA-N 319.407 3.533 0 40 DHAB FC(F)(F)c1cccc(N2CC(n3cnc4ccccc43)C2)n1 1775974184 CQFHGIVOQUEZBW-UHFFFAOYSA-N 318.302 3.511 0 40 DHAB Cc1ccc(-c2oncc2-c2nnnn2-c2ccc(C)cc2)cc1 119447 QSSNQFBCHDAWCO-UHFFFAOYSA-N 317.352 3.601 0 40 DHAB O=C(O)C(Cc1ccncc1)(c1ccccc1)c1ccccc1 1691666 FCLNXRRIAVHYPC-UHFFFAOYSA-N 303.361 3.695 0 40 DHAB CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 3293673 ADJMEULNUKDYSL-UHFFFAOYSA-N 324.405 3.847 0 40 DHAB CCOC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 3350155 PHRQQWLKWHWUGR-UHFFFAOYSA-N 313.353 3.761 0 40 DHAB O=C(COc1cccc(F)c1)Nc1nc2ccc(F)cc2s1 3577850 XEQJDTOGWLRRKR-UHFFFAOYSA-N 320.320 3.592 0 40 DHAB FC(F)(F)c1cnc(-c2cc(-c3ccn[nH]3)on2)c(Cl)c1 4002793 PFSYQSQYIJBGOB-UHFFFAOYSA-N 314.654 3.799 0 40 DHAB CC(C)(C)c1nnc(NC(=O)CCSc2ccccc2)s1 4384614 FOROLZQJEASJJM-UHFFFAOYSA-N 321.471 3.957 0 40 DHAB Cc1ccc2cccc(OCC(=O)Nc3ccc(F)cc3)c2n1 5198633 ZQUPUYBJTMANNV-UHFFFAOYSA-N 310.328 3.700 0 40 DHAB CCNC(=S)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 6561300 AQICQVHVCLLICA-MRXNPFEDSA-N 324.877 3.505 0 40 DHAB Cc1ccc(Cl)c(NC(=O)COC(=O)C2CCC2)c1Cl 6639827 SPRYOEBYFJYRSY-UHFFFAOYSA-N 316.184 3.584 0 40 DHAB COc1cccc(C2=Nn3cc(-c4ccccc4)nc3SC2)c1 6650599 HYAIFBFZOJXFSC-UHFFFAOYSA-N 321.405 3.917 0 40 DHAB CCCN(CCC)C[C@H](O)CO[C@@H]1CCCc2ccccc21 6937381 KMRCGKPATBIVGO-PKOBYXMFSA-N 305.462 3.564 0 40 DHAB O=C(COc1ccc(Cl)cc1)Nc1cccc2cnccc12 7655302 GHBVQKDCILAVLI-UHFFFAOYSA-N 312.756 3.906 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1F 7754162 TUQUWTKDHZJEMF-UHFFFAOYSA-N 322.383 3.850 0 40 DHAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)c1 7882288 KDYOFADDLOAOMI-INIZCTEOSA-N 322.408 3.603 0 40 DHAB Cc1ccccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 7890010 FECHEGDNLPRVRE-CQSZACIVSA-N 309.365 3.997 0 40 DHAB COc1ccccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 8328633 XIWXDOGLLYARDD-UHFFFAOYSA-N 324.384 3.582 0 40 DHAB Cc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c(C)o1 9154418 UHQMKSUQPMYMLC-UHFFFAOYSA-N 313.382 3.591 0 40 DHAB C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 10541815 HGJZOLLFOGGCKP-JTQLQIEISA-N 322.257 3.555 0 40 DHAB CC[C@@H](C)NC(=O)CSc1nc(C2CC2)nc2ccccc12 10940553 ONRDBKNYPKKFOD-LLVKDONJSA-N 315.442 3.514 0 40 DHAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)s1 12974761 QHCCWRPMVAXFHT-SECBINFHSA-N 323.801 3.842 0 40 DHAB Cc1cccc(CCCNC(=O)Cc2ccc(Cl)cc2)c1 13675783 MAXMEQRXHNAHAN-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(Cl)c1 16082884 USODXQCOJVBWAY-SJORKVTESA-N 315.800 3.640 0 40 DHAB Cc1c(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)cnn1C 19553557 SBOHZZCBOXKCGX-LJQANCHMSA-N 309.457 3.888 0 40 DHAB CC(C)(CO)CCCn1cncc1-c1c[nH]nc1-c1ccccc1 19719581 ORXVWBWITSTNEW-UHFFFAOYSA-N 324.428 3.739 0 40 DHAB CC1CCN(Cc2ccc(C(=O)N(C)C3CCCC3)cc2)CC1 20493067 LPURNSHLVPAXGI-UHFFFAOYSA-N 314.473 3.933 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc(N)cc2Cl)c(C)c1 21813864 RGTFCTGEROASDE-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB O=Cc1ccccc1OCc1nc(-c2ccccc2Cl)no1 22120742 ABEXDHXVQJBJRB-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccncc1 22621867 AWPSMADVXPCMQW-AWEZNQCLSA-N 307.397 3.763 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(-c3nnco3)c2)C1(C)C 24738310 VCUCYYPTQIBKRM-GJZGRUSLSA-N 311.385 3.914 0 40 DHAB CCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)ccc21 27981665 SGXZKZOHZMBQFE-BETUJISGSA-N 314.429 3.527 0 40 DHAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)C1CCCC1 28220633 BHMAFOHTUJOBRE-UHFFFAOYSA-N 303.793 3.714 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 30229329 OVFWKLSVRYAIRK-UHFFFAOYSA-N 314.410 3.838 0 40 DHAB C[C@H]1CCCCN1S(=O)(=O)c1ccccc1-c1ccccc1 32755141 ZNKDQUPVBBMAGF-HNNXBMFYSA-N 315.438 3.917 0 40 DHAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 32755351 GSFSTPBMDAZBRL-UXHICEINSA-N 322.452 3.526 0 40 DHAB Cc1ccc(-c2onc(C)c2C(=O)NCCc2ccccc2)cc1 35672055 RWSKVCJBIYNCJC-UHFFFAOYSA-N 320.392 3.931 0 40 DHAB CC(C)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1 40096966 BFBYFZPGRFTGBX-QGZVFWFLSA-N 316.376 3.804 0 40 DHAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)n[nH]2)cc1 44839104 HVPDPAOLJYZZMV-AWEZNQCLSA-N 305.381 3.876 0 40 DHAB COc1cccc(-c2n[nH]cc2CNCc2ccc(C)s2)c1 44973839 HWDASWDMHXFJAK-UHFFFAOYSA-N 313.426 3.745 0 40 DHAB C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1ccccn1 45560716 QTNUVJXDQKVHEB-JTQLQIEISA-N 309.822 3.699 0 40 DHAB NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 45887115 RGZMTOKDCZAVIF-UHFFFAOYSA-N 303.774 3.804 0 40 DHAB CN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)c(Cl)n1C 47427381 WJGPTVYRSQSILB-UHFFFAOYSA-N 315.175 3.743 0 40 DHAB FC(F)(F)Oc1ccc2nc(NC[C@@H]3CCCO3)sc2c1 56900918 XDGSUQBYQQPREK-VIFPVBQESA-N 318.320 3.786 0 40 DHAB CCCN(CCC)CCCC(=O)Nc1ccc(N(C)C)cc1C 68516984 BODIRQHIHQBUQK-UHFFFAOYSA-N 319.493 3.902 0 40 DHAB Cc1cnn([C@@H](C)[C@H](C)NCc2csc(-c3ccco3)n2)c1 69459505 SNNDGHRGBAERMJ-STQMWFEESA-N 316.430 3.647 0 40 DHAB Cc1cc(CNc2ccccc2NC(=O)c2cccs2)no1 69490502 TWQYSMNXIXXBHT-UHFFFAOYSA-N 313.382 3.909 0 40 DHAB Cc1cccc(OC(F)F)c1NC(=O)COC1CCCCC1 69656267 GTFMCOQYNDHCLR-UHFFFAOYSA-N 313.344 3.884 0 40 DHAB Cc1cc(C(=O)NCCC(C)C)c2cnn(C3CCCC3)c2n1 71282623 MFIIKOKENTVFLV-UHFFFAOYSA-N 314.433 3.631 0 40 DHAB C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)c1ccccc1F 71795742 DCFUPMCDDXRLEB-SNVBAGLBSA-N 300.362 3.859 0 40 DHAB O=C(NCc1ccccc1)c1cn[nH]c1-c1cccc(Cl)c1 72328839 OMKLIPRIVUGZPT-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB O=C(Nc1cc(-c2ccccc2)ns1)[C@@H]1COc2ccccc21 74952169 WFPZPOOQWADPOQ-CQSZACIVSA-N 322.389 3.925 0 40 DHAB CCOc1ncc(C(=O)N(c2cccnc2)C(C)C)cc1Cl 78996295 OSOIEXNXKOMUMB-UHFFFAOYSA-N 319.792 3.584 0 40 DHAB CCCCOCC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 95398456 GNWMIPLJZCXKBI-UHFFFAOYSA-N 302.374 3.714 0 40 DHAB CC(C)C(=O)N1CC[C@]2(CCCN2Cc2cccc(Cl)c2)C1 96071044 JEVHUZFRDRJSDP-GOSISDBHSA-N 320.864 3.563 0 40 DHAB CC(=O)N1CCc2cc(N[C@@H](C)c3cnn(C(C)C)c3)ccc21 97037144 XJHFDWWJYMERBL-ZDUSSCGKSA-N 312.417 3.546 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 105409679 POIZLOBITIUNSS-PBWTXFEYSA-N 315.372 3.665 0 40 DHAB CCCc1nc(CNC(=O)c2ccccc2-c2ccccc2)no1 107578534 PYFZEHOCDRFZGT-UHFFFAOYSA-N 321.380 3.619 0 40 DHAB CC1(C)C[C@@H](NC(=O)Cc2ccccc2F)c2ccccc2O1 121595753 MXZQREGQTRRJSX-MRXNPFEDSA-N 313.372 3.787 0 40 DHAB C[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccnc1 193504708 XNSQBQPCYJYYOO-CQSZACIVSA-N 323.421 3.875 0 40 DHAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1cccc(Cl)c1 199524650 DLBMUBXGPWDWIU-LBPRGKRZSA-N 320.709 3.820 0 40 DHAB COc1ccc(CC(=O)NC(C)(C)Cc2ccccc2)cc1C 222896262 WOMYLOSZRGFGAT-UHFFFAOYSA-N 311.425 3.684 0 40 DHAB Cc1ccccc1OCC(=O)N[C@H](C)c1ccc2c(c1)CCC2 223146858 ZZSGBROYKOMVFH-OAHLLOKOSA-N 309.409 3.740 0 40 DHAB CC(C)c1ccccc1OCCNC(=O)Cc1ccc(F)cc1 223830938 NDHKZFMRUAKTOY-UHFFFAOYSA-N 315.388 3.687 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1cccc(F)c1 225442160 QXOFYQWPQVUVAV-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)c(C)c1 225744042 NPHCEDGOQAPGOK-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB Cc1ccccc1COc1ccc(-c2nn3cnnc3s2)cc1 226298515 PDSXMGISHFUPPM-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB Cc1cc(CN2CCC(C)(c3ncc(Cl)s3)CC2)no1 257205965 BBGVMBSVRMXLFP-UHFFFAOYSA-N 311.838 3.647 0 40 DHAB Cc1ncc(-c2nccnc2C[C@H]2CCCN(C(C)C)C2)s1 257238447 HLABWDQUBHDMAY-CQSZACIVSA-N 316.474 3.571 0 40 DHAB Cc1csc(C(=O)N2CCC(C)(c3nccs3)CC2)c1 257245580 IQEUISTVDHMKFX-UHFFFAOYSA-N 306.456 3.707 0 40 DHAB Cc1ncccc1CNC(=O)Nc1ccnn1[C@@H](C)CC(C)C 529057701 LTNUOEGMAPBYSO-ZDUSSCGKSA-N 315.421 3.515 0 40 DHAB Cc1ccccc1NC(=O)NCC[C@@H](CCO)c1ccsc1 575608751 YATWKTFXKHIUJR-AWEZNQCLSA-N 318.442 3.734 0 40 DHAB O=C(NCc1cncc(-c2ccoc2)c1)c1cccc(Cl)c1 575621003 SMRXKDJFOKZJIW-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1F 673005384 ROTCIUJALVOQTM-UHFFFAOYSA-N 303.333 3.874 0 40 DHAB O=C1C(Cl)=C(Cl)C(=O)N1c1cc(Cl)cc(Cl)c1 145797 CUWXJFCSNROABJ-UHFFFAOYSA-N 310.951 3.556 0 40 DHAB CCCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 365519 IDYBBGMFEMKPNZ-UHFFFAOYSA-N 310.825 3.855 0 40 DHAB Cc1ccn(-c2cc(-c3ccccc3)cc(-n3ccc(C)n3)n2)n1 384756 ZETTWPPCRJHCQA-UHFFFAOYSA-N 315.380 3.737 0 40 DHAB FC(F)(F)c1nnc2c3ccccc3nc(-c3ccccc3)n12 808221 HXOJGCIBAZPNRP-UHFFFAOYSA-N 314.270 3.963 0 40 DHAB S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1369638 RSUHUEUPLLOEOC-IAGOWNOFSA-N 315.486 3.521 0 40 DHAB O[C@H](COc1ccc2ccccc2c1)Cn1cnc2ccccc21 3141010 GSRDILKOJHGSBJ-KRWDZBQOSA-N 318.376 3.629 0 40 DHAB Cc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1 4295128 SPOZCEKGUJQEHP-UHFFFAOYSA-N 303.369 3.507 0 40 DHAB Clc1ccccc1[C@H]1Nn2c(nnc2-c2ccccc2)S1 4614552 MCYPLIPKBLVWHJ-AWEZNQCLSA-N 314.801 3.947 0 40 DHAB COc1ccccc1NC(=O)CCSc1nc(C)cs1 4668903 XUYPBPVXFIWXIT-UHFFFAOYSA-N 308.428 3.581 0 40 DHAB CN(C)CCCOc1nnc(Cc2ccccc2)c2ccccc12 5535357 PTNYCEQLUWCYAR-UHFFFAOYSA-N 321.424 3.551 0 40 DHAB CC(C)(C)C(=O)COC(=O)CCCc1nc2ccccc2s1 6588948 XYMWSEAFTYJMKC-UHFFFAOYSA-N 319.426 3.777 0 40 DHAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2cccs2)c1 6844619 WBCGZHIXCOSLHL-LLVKDONJSA-N 309.818 3.794 0 40 DHAB CCc1ccc2c(CC(=O)Nc3nc(C)cs3)coc2c1 7007527 VOBQFJBNZZTGRG-UHFFFAOYSA-N 300.383 3.941 0 40 DHAB C[C@H](Nc1cccc(CO)c1)C(=O)Nc1ccc2ccccc2c1 7780917 KLIMMJXGGPOKOC-AWEZNQCLSA-N 320.392 3.771 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2c(F)cccc2F)c(C)c1 8040573 QACCVBVTNBCTHU-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB COc1cccc(CCC(=O)Nc2ccc(C)c(F)c2)c1OC 8304137 ZSXLSUCPGABUAR-UHFFFAOYSA-N 317.360 3.723 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 8313586 JGJDYAZMZGGJME-QGZVFWFLSA-N 318.804 3.755 0 40 DHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1Cc1ccccc1Cl 8990989 UQCUMCVYGUJQOQ-UHFFFAOYSA-N 316.763 3.857 0 40 DHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCCC[C@H]1C 9061970 VOXGWIASDZJJHN-SNVBAGLBSA-N 322.257 3.865 0 40 DHAB COc1ccc(-c2cc([C@H]3CCCCCN3)no2)cc1OC 12185180 AFLZUZCWHDNRIU-CYBMUJFWSA-N 302.374 3.564 0 40 DHAB COc1ccc2cc(CNc3ccc(C)c(C)c3)c(=O)[nH]c2c1 12493315 PHFGIGXVPUVPAR-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB C[C@@H](Nc1ccccc1)C(=O)Nc1ccccc1OC(F)F 12542930 VOLDHQUEXGNQMO-LLVKDONJSA-N 306.312 3.727 0 40 DHAB CCOC(=O)c1c(NC(=O)N2CCC(C)CC2)sc(C)c1C 12551829 SNTVERCFNFORPM-UHFFFAOYSA-N 324.446 3.805 0 40 DHAB C[C@H](Sc1nncc2ccccc12)C(=O)Nc1ccccc1 12986934 VUWBKMVXJNXFQV-LBPRGKRZSA-N 309.394 3.749 0 40 DHAB Cc1ccc(CNS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1 13937899 SEJCOLNVDRFAAI-UHFFFAOYSA-N 323.845 3.744 0 40 DHAB CCOc1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)cc1 14170917 CWTCJTVMVUFWCX-UHFFFAOYSA-N 308.381 3.839 0 40 DHAB CCOc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1 15582194 LHCPPNBYNCDMQL-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB Fc1ccccc1CCNCc1ccc(Br)cc1 16449539 MBEVHMXREODUOS-UHFFFAOYSA-N 308.194 3.921 0 40 DHAB CC(C)c1ccccc1NC(=O)/C(Cl)=C(/Cl)C(=O)O 17176649 CYEBARRAYUCJNW-KHPPLWFESA-N 302.157 3.522 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1cc(Cl)ccc1F 17971619 ADXPMZDFQWKIOR-JTQLQIEISA-N 307.752 3.979 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 20048641 CIKVHDWPRMOSBV-SJKOYZFVSA-N 319.351 4.000 0 40 DHAB Cc1cc(N)ccc1NC(=O)c1ccc(Br)cc1 20343299 QRJJSOXYTWUIKX-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CC(C)Oc1ccccc1[C@H]1SCC(O)=Nc2n[nH]cc21 20717315 NFZXCFWLHAEMCU-CQSZACIVSA-N 303.387 3.621 0 40 DHAB Nc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 21816595 SXKWZBXAFKHMKS-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB O=C(Nc1nc(CN2CCCCC2)cs1)C1CCCCC1 22289158 VMDXTMIIFZSFGD-UHFFFAOYSA-N 307.463 3.648 0 40 DHAB CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 25767294 WJXHHWCHUDXSPZ-QGZVFWFLSA-N 321.417 3.642 0 40 DHAB Cc1cccnc1NC(=O)CSCc1ccc(Cl)s1 27651091 UUWHFKAHLSLMQD-UHFFFAOYSA-N 312.847 3.977 0 40 DHAB CCc1ccc(-c2nc(C(=O)Nc3cc(C)on3)cs2)cc1 32820585 WVTZUMDPDIQOIL-UHFFFAOYSA-N 313.382 3.921 0 40 DHAB Cc1ccc(CNC(=O)[C@H](C)N(C)Cc2sccc2C)cc1 40002639 PTLLDARMZVXRNV-HNNXBMFYSA-N 316.470 3.502 0 40 DHAB Cc1nc(NC(=O)COCc2ccccc2Cl)sc1C 40141214 YAHKQOUVODHJPB-UHFFFAOYSA-N 310.806 3.569 0 40 DHAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1ccc(Cl)s1 40437000 CBYUESIJHXRYGR-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB CC(=O)Oc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1 43209912 SZRSSLBWWIOPKM-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB O=C(NCc1ccc(F)cc1)Nc1ccccc1N1CCCC1 43486034 DBINEAUHFUCCCW-UHFFFAOYSA-N 313.376 3.748 0 40 DHAB Cc1nc(CNC(=O)NCc2csc3ccccc23)cs1 44967310 VDLSNTCDDPOLOS-UHFFFAOYSA-N 317.439 3.666 0 40 DHAB C[C@@H](NCc1cnc(N2CCCC2)nc1)c1cc2ccccc2o1 48683742 NLLGEAHIIDVUCA-CQSZACIVSA-N 322.412 3.674 0 40 DHAB c1cc(CNc2nc3ccccc3o2)cc(Cn2ccnc2)c1 51856277 LBDYSBWUROTPCS-UHFFFAOYSA-N 304.353 3.685 0 40 DHAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccccc1Cl 59291785 NHHATRXLYJSCHR-CYBMUJFWSA-N 317.882 3.976 0 40 DHAB CC(C)c1nc(CCNC(=O)C2(c3ccccc3)CC2)cs1 69519065 CVRGWSJOWYRCAK-UHFFFAOYSA-N 314.454 3.657 0 40 DHAB Cc1cccc(OC(F)F)c1NC(=O)[C@H]1C[C@H]1c1ccco1 69536061 SSSPYEMBAQXZNJ-MNOVXSKESA-N 307.296 3.932 0 40 DHAB CC(C)c1nc(CCNC(=O)c2ccc(F)cc2F)cs1 69630780 VDHNREKDSACEKX-UHFFFAOYSA-N 310.369 3.517 0 40 DHAB O=C(c1ccc(Oc2cnc3ccccc3n2)cc1)N1CCCC1 69651995 GEMPUJSIIVGQMZ-UHFFFAOYSA-N 319.364 3.658 0 40 DHAB O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCCSCC1 71186507 DSUXCSVQQQEWGL-UHFFFAOYSA-N 322.817 3.574 0 40 DHAB CC(C)[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 79070392 MSPCQCUBYVRXMG-ZDUSSCGKSA-N 317.820 3.644 0 40 DHAB CC[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 79456791 QYBDDQZBEQLAPE-ABHNRTSZSA-N 301.430 3.598 0 40 DHAB C[C@H](NC1CCN(C(=O)C2CCCCC2)CC1)c1ccsc1 95420258 WMSWDAJLFIDGHE-AWEZNQCLSA-N 320.502 3.970 0 40 DHAB C[C@@H]1CCO[C@@H]1C(=O)N1CCCSc2ccc(Cl)cc21 95971635 FSGXRBVGOHVBSD-YGRLFVJLSA-N 311.834 3.594 0 40 DHAB Cc1nc(CCNCc2csc(-c3cccs3)n2)cs1 96403962 BGRSNDXAZUOLER-UHFFFAOYSA-N 321.496 3.969 0 40 DHAB Cc1nn(C)c(NC(=O)c2ccc(Oc3ccccc3)o2)c1C 96451262 DDMIFVQTJDDOEV-UHFFFAOYSA-N 311.341 3.675 0 40 DHAB Cc1nc2nc3ccccc3n2c(O)c1CCc1ccccc1 102728079 ZFFORXNSQDJAFJ-UHFFFAOYSA-N 303.365 3.682 0 40 DHAB O=C(NCC[C@@H](CCO)c1ccccc1)c1cccc(Cl)c1 206624907 XOABEEOJYPRODI-HNNXBMFYSA-N 317.816 3.626 0 40 DHAB COc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225102223 WLZKYAIEOUGWDA-GOSISDBHSA-N 314.381 3.893 0 40 DHAB CCOC(=O)c1cccc(NC(=S)NC(C)(C)CC)c1C 225644927 PVQABRPKLDMPTF-UHFFFAOYSA-N 308.447 3.647 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(N)c1 226349560 NOYIJKIMDSBTPI-UHFFFAOYSA-N 314.385 3.707 0 40 DHAB COc1cccc(CS(=O)(=O)Cc2ccccc2C2CC2)c1 390833466 HZWHFIVJYXGSHV-UHFFFAOYSA-N 316.422 3.688 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCSC2CCCCC2)cc1 408680514 MVBKWRMFIWSURC-OAHLLOKOSA-N 321.486 3.944 0 40 DHAB CCc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccncc2F)cc1 513394215 LGULFAKBNAOSFA-ZDUSSCGKSA-N 314.404 3.938 0 40 DHAB Cc1cc(OC[C@@]2(O)CCCN(C3CCC3)C2)cc(C)c1Cl 585282136 YCZWUPNSTVUYJK-GOSISDBHSA-N 323.864 3.715 0 40 DHAB CC(=O)Nc1cccc(N=c2cc(C3CCC3)nc(C3CC3)[nH]2)c1 1888883433 RSKRZLCLDDIGRA-UHFFFAOYSA-N 322.412 3.745 0 40 DHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC21OCCO1 33030 TWYONAIDRKGWBX-MANSERQUSA-N 314.425 3.991 0 40 DHAB in-vitro COc1cccc(NC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 180484 RJUADYJLDDTYRW-SNVBAGLBSA-N 317.414 3.921 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc(N)cc1Br 285464 HPSUUXCBLQZCFH-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Cc1cccc(-n2nnnc2-c2cccc(C(F)(F)F)c2)c1 1386022 OBEFWQRDAXUIKM-UHFFFAOYSA-N 304.275 3.657 0 40 DHAB CCOc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1 1582463 HEPVVPUNSAKITO-GFCCVEGCSA-N 300.354 3.974 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)N(CCO)C1CCCCC1 1753545 MNBKPVIXWJGUSB-UHFFFAOYSA-N 314.788 3.638 0 40 DHAB CCc1ccccc1N[C@H]1OC(=O)c2c1ccc(OC)c2OC 2429983 VOXUBUHGKJTLMG-KRWDZBQOSA-N 313.353 3.547 0 40 DHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)cc1F 3290677 ZFKRLHQKRBQRPA-NSHDSACASA-N 318.779 3.869 0 40 DHAB C[C@H]1C[C@@H](C)CN(CC(=O)c2ccccc2Br)C1 3356248 GUZIGOXEYHEGPJ-TXEJJXNPSA-N 310.235 3.610 0 40 DHAB C[C@@H]1CN(C(=O)Nc2ccc3snnc3c2)c2ccccc21 5152189 JXGCNYHNBWDIQX-SNVBAGLBSA-N 310.382 3.847 0 40 DHAB aggregator Cc1ccc(-c2cnn3c(-n4nc(C)cc4C)cc(C)nc23)cc1 5267476 QPFATGHYJMZZPT-UHFFFAOYSA-N 317.396 3.816 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2ncnc3sccc23)cc1 5299473 YWECBHPRLJCMOF-UHFFFAOYSA-N 313.382 3.731 0 40 DHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1 5457093 WRZCWFDKZXTTSG-UHFFFAOYSA-N 321.764 3.725 0 40 DHAB COc1cc(Cl)ccc1NC(=O)C[C@@H](C)NC1CCCC1 6650970 PBOUVTVJLXWYSB-LLVKDONJSA-N 310.825 3.598 0 40 DHAB CCc1ccc2oc(C(=O)Nc3ccc(F)cc3)cc(=O)c2c1 6811289 FGXCHCIIXWBZQM-UHFFFAOYSA-N 311.312 3.747 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1C 7307981 LSTODLBTWLMOJS-INIZCTEOSA-N 317.454 3.960 0 40 DHAB c1coc(-c2cc(CSc3nnc(NC4CC4)s3)no2)c1 7535459 BXQSIOZQSCWWAV-UHFFFAOYSA-N 320.399 3.653 0 40 DHAB CCCCc1ccc(NC(=S)NC[C@@H]2CCCN2CC)cc1 7561251 OYXBBJFZVIRYGN-KRWDZBQOSA-N 319.518 3.800 0 40 DHAB CCC(=O)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C 9141406 KKPWYRRLIBTSAX-UHFFFAOYSA-N 308.385 3.640 0 40 DHAB COc1ccc(NC(=O)/C=C/Sc2ccccc2)cc1OC 9366644 UBMSHLZECNZQGU-ZHACJKMWSA-N 315.394 3.948 0 40 DHAB C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccccc1Cl 10402516 FIOLDCUATSTXJG-LLVKDONJSA-N 314.776 3.704 0 40 DHAB O=C(Nc1nc2ccccc2s1)[C@@H]1Cc2ccccc2S1 11327742 SRLLVEGSHFVXOT-AWEZNQCLSA-N 312.419 3.952 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(NC(=O)c2ccco2)cc1 11526270 SEBRCUUIGVXAKT-CYBMUJFWSA-N 310.353 3.827 0 40 DHAB CCOc1ccc(CN2CCCCC[C@H]2c2ccn(C)n2)cc1 12275818 DGYYNZMRWACISA-IBGZPJMESA-N 313.445 3.936 0 40 DHAB FC(F)(F)c1nn2c(-c3ccc(Cl)cc3)nnc2s1 12323346 QFTIIUIIZZJSHC-UHFFFAOYSA-N 304.684 3.525 0 40 DHAB COc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1 12476039 SGWUFYKTXJKGDW-UHFFFAOYSA-N 321.336 3.878 0 40 DHAB Cc1cccc(OCCNC(=O)c2cc(Cl)ccc2F)c1 16492247 GQOVZRFTBWMJAF-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB CC(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27663858 ICKYHCQGJAIDLH-MRXNPFEDSA-N 308.853 3.639 0 40 DHAB Cc1ccsc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 27920593 WCBAVUQTYWJALM-UHFFFAOYSA-N 315.373 3.693 0 40 DHAB O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N1CCCCCC1 27969720 QSVIMESRAPRZKP-UHFFFAOYSA-N 317.820 3.601 0 40 DHAB O=C(Nc1ccc(OC(F)(F)F)cc1)OCC(F)(F)F 32628728 GOLXTFRDTJTGJL-UHFFFAOYSA-N 303.158 3.696 0 40 DHAB in-vitro CSc1ccc([C@@H](C)NC(=O)NCc2ccccc2)cc1 32912700 HVDDUTXVMTUDOC-CYBMUJFWSA-N 300.427 3.969 0 40 DHAB COc1ccc(OC)c(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1 33329011 RHKILFFDGALMOX-ZSOIEALJSA-N 315.756 3.850 0 40 DHAB COc1cccc(NC(=O)c2c(C)noc2-c2ccccc2)c1 35671413 PPYYJIJXVPQYIC-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB CC(=O)Nc1nc(COc2ccc(Cl)cc2C(C)=O)cs1 40490078 IDYIDBXWAUNXKM-UHFFFAOYSA-N 324.789 3.537 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2ccsc2)c1C 40535808 KWCMJLUWYNYPQY-AWEZNQCLSA-N 316.426 3.873 0 40 DHAB CC(C)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1 47621970 RIXRFIGOEKKTQG-UHFFFAOYSA-N 315.847 3.894 0 40 DHAB CC[C@H](C)C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 57994553 QBUIAYSSXYXZNN-NSHDSACASA-N 300.406 3.754 0 40 DHAB CC(C)C[C@H](CNCc1ccc(OC(F)(F)F)cc1)N(C)C 58680535 RCZPUBWLCFOCSS-CQSZACIVSA-N 318.383 3.651 0 40 DHAB COc1ccc2c(c1)CN(Cc1nc3ccccc3s1)CC2 60042446 GVVNMDJROOYBMH-UHFFFAOYSA-N 310.422 3.863 0 40 DHAB Cc1nc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)oc1C 71824767 PLPNVTRLHAAOFY-OAHLLOKOSA-N 306.793 3.518 0 40 DHAB Cc1csc(-c2cccc(NC(=O)NCc3ccncc3)c2)n1 71855078 VATAACOVVUVVEV-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB Cc1noc([C@H](C)[S@](=O)Cc2ccc(C(C)(C)C)cc2)n1 71888578 HMEAGBAMGLPNEV-MQJDWESPSA-N 306.431 3.685 0 40 DHAB CC[C@@H](C)N(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 71909591 FYXOHHSROZJWLS-MCMMXHMISA-N 324.490 3.996 0 40 DHAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2C)cc1 72328958 FVNFWYYIHXMWDS-UHFFFAOYSA-N 305.381 3.624 0 40 DHAB CC(=O)N1CCC(c2cnc(-c3ccc(Cl)cc3)cn2)CC1 72360765 LRPJZNVUEYBLNS-UHFFFAOYSA-N 315.804 3.523 0 40 DHAB COc1ccc(CNc2ncnc3cccc(C)c23)cc1OC 80762506 FKJWILVTQOKOQM-UHFFFAOYSA-N 309.369 3.568 0 40 DHAB CS[C@H]1CC[C@@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1 84642963 QPXFLNSKLZAGTR-PWSUYJOCSA-N 324.412 3.787 0 40 DHAB C[C@H](c1ccco1)N(C(=O)NCC1CCSCC1)C1CC1 86398107 XVGQIRMLLBHILK-GFCCVEGCSA-N 308.447 3.658 0 40 DHAB Cc1ncsc1C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 88217796 LZEZTKOOQCTBOH-LBPRGKRZSA-N 315.442 3.543 0 40 DHAB Cc1ccc(CNc2ccc(NC(=O)CCN(C)C)cc2)s1 89656609 AOLRDWKWSAVKAZ-UHFFFAOYSA-N 317.458 3.559 0 40 DHAB CSC1(CN[C@H]2CCCOc3cc(C)ccc32)CCOCC1 90113270 LYAYZAFAGWFWLF-INIZCTEOSA-N 321.486 3.711 0 40 DHAB Cc1nc2n(n1)CCC[C@H]2N[C@H]1C[C@H](C)Sc2sccc21 90227312 YLAKEFZLIBJFOP-BIMULSAOSA-N 320.487 3.698 0 40 DHAB CCN(CC)CCSc1nnc(-c2ccc(Cl)cc2)o1 95468555 DUCHYHBPYAQHIG-UHFFFAOYSA-N 311.838 3.824 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(C)(C)C 95966217 ULCJPPLISVRLOZ-UHFFFAOYSA-N 300.402 3.697 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3CC[C@]4(CCOC4)C3)s2)o1 97081386 FHPQWASEHDUBEX-KRWDZBQOSA-N 317.410 3.569 0 40 DHAB Cn1cnnc1[C@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 97236458 LPIRTTMCISSESJ-MRXNPFEDSA-N 324.384 3.538 0 40 DHAB CCN(C(=O)Cc1cc(Cl)ccc1Cl)c1cccnc1 104401999 VHXDYSNRQNKTMX-UHFFFAOYSA-N 309.196 3.984 0 40 DHAB CCc1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1OC 113970882 REGUDPLWLOIVPT-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB CC(=O)NC1(c2noc(-c3cccc(C)c3Cl)n2)CCCC1 195545483 NYSDZTOIIIPLDF-UHFFFAOYSA-N 319.792 3.604 0 40 DHAB O=C(Nc1ccc(F)cc1)c1cnc(-c2cccc(F)c2)nc1 222621222 GIGUASXKWHIQLY-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB COc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225102055 GFEYDZPWULLCPQ-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CCCOC(=O)c1ccc(Nc2ccccc2OC)c(N)c1 225429617 AWZUQDUBMFIXIZ-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB CCCC(=O)Nc1cc(-c2csc(NC)n2)ccc1OC 226098060 VEACPSSYXMHJKS-UHFFFAOYSA-N 305.403 3.599 0 40 DHAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2ccccc2Cl)C1 228911211 FYZLLCBDFIWOAX-CYBMUJFWSA-N 323.820 3.709 0 40 DHAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(O)cc1 524735746 WECLTUHLTAPRAY-MRXNPFEDSA-N 312.394 3.873 0 40 DHAB COc1cc(-c2noc(-c3csnc3C)n2)c2ccccc2n1 569657107 ZJWYWEPZKFPSQN-UHFFFAOYSA-N 324.365 3.725 0 40 DHAB O=C(CSC[C@@H]1CCCCO1)Nc1cc(C2CCCC2)no1 585124824 UWESZJSLUKVSIZ-ZDUSSCGKSA-N 324.446 3.573 0 40 DHAB CC(C)(C)OC(=O)NC12CC3(C(=O)O)C[C@@](C)(C1)C[C@@](C)(C2)C3 1535514141 XCYDUFDZEYUXTG-OQSMONGASA-N 323.433 3.715 0 40 DHAB O=C(COc1ccccc1F)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1775975787 NZEUJKKQIJZRMR-HOTGVXAUSA-N 315.388 3.694 0 40 DHAB CCC(=O)c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1 118146 BEOWOIAETHBABB-UHFFFAOYSA-N 322.316 3.605 0 40 DHAB Clc1ccc2[nH]c3c(NCc4ccccn4)ncnc3c2c1 520531 YSOZAFUGQCWGSY-UHFFFAOYSA-N 309.760 3.772 0 40 DHAB Cc1cccc(-c2nnc3sc(Cc4ccc(F)cc4)nn23)c1 1018257 IGDSGSGNDVLRIP-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB Cc1[nH]c2c(ccc3cccnc32)c1[C@H]1[C@H](CC(N)=O)C1(C)C 1418658 UTXMYOXAUWPCNE-XJKSGUPXSA-N 307.397 3.640 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1OC 1904320 ZTVIIBNOZYJWSQ-JXMROGBWSA-N 311.381 3.973 0 40 DHAB Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1OC(C)C 2706856 JLFMCQDQLZJKLD-UHFFFAOYSA-N 309.365 3.512 0 40 DHAB O=C(Nc1ccc(F)cc1)c1c(F)c(F)c(F)c(F)c1F 3019149 NXSQZVGPHXRXGT-UHFFFAOYSA-N 305.177 3.774 0 40 DHAB O=C1N(Cc2ccccc2)c2ccccc2C12SCCS2 3131319 MWKMGNJWCHLJAQ-UHFFFAOYSA-N 313.447 3.866 0 40 DHAB CCCn1c(NC(=O)c2ccc(Cl)nc2)nc2ccccc21 3431613 VVUILCVRNHODCU-UHFFFAOYSA-N 314.776 3.747 0 40 DHAB COc1ccc(C(=O)c2cccc(Br)c2)cc1F 4241755 XFBBZIQLOGYHLY-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB CCCC(=O)Nc1c2c(nn1-c1cc(C)cc(C)c1)CSC2 4274454 XYRYRBHKOLMIRS-UHFFFAOYSA-N 315.442 3.975 0 40 DHAB CC(C)(C)c1ccc(OCCn2c(=O)oc3ccccc32)cc1 5014104 ALWHABGQDOZDSX-UHFFFAOYSA-N 311.381 3.971 0 40 DHAB Cc1cc(Cl)ccc1OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C 5049982 OUWLRPBCDXCDNQ-DZKIICNBSA-N 311.853 3.651 0 40 DHAB CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1C 5156456 VOTTZOIULYRFIW-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB CCN(CC)CCC[C@@H](C)Nc1ncnc2oc(C)c(C)c12 5807591 PESHUDHSFUXZKS-GFCCVEGCSA-N 304.438 3.762 0 40 DHAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCCCCC1 6057592 RTHOQIWWCLPWCS-ZDUSSCGKSA-N 318.244 3.609 0 40 DHAB O=C1COc2ccc(-c3csc(Nc4ccccc4)n3)cc2N1 6832122 XCZJKPMFKDQJJI-UHFFFAOYSA-N 323.377 3.885 0 40 DHAB CC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(C)cc1 7312592 NBRYQUNAFPXKDE-LJQANCHMSA-N 324.424 3.763 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160422 GTOWYVCHNTWWIF-CWRQFWGNSA-N 323.392 3.896 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)s1 8314588 VPBWPVLMQRLBQV-UHFFFAOYSA-N 317.410 3.849 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c[nH]nc12 8615308 WOAIFOIONHSFPQ-DEQFUCTLSA-N 314.473 3.827 0 40 DHAB Cc1cccc(-n2nc(C(=O)O)nc2-c2ccc(Cl)cc2)c1 8730849 BSNOTFKBNCEZMO-UHFFFAOYSA-N 313.744 3.594 0 40 DHAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCc1ccco1 9456285 HYWYLCRUCWVXHU-ZZXKWVIFSA-N 315.756 3.581 0 40 DHAB O=C(COc1ccc(Cl)cc1)Nc1ccc2ncsc2c1 10217232 RWIHTMFRCRPMNS-UHFFFAOYSA-N 318.785 3.967 0 40 DHAB C[C@@H](Oc1ccccc1F)C(=O)Nc1nc2c(s1)CCCC2 11916562 KEAYQRCJYIKDLS-SNVBAGLBSA-N 320.389 3.567 0 40 DHAB O=C(NCc1cc(-c2ccccc2)on1)c1c(F)cccc1F 12235376 XJXALRIFEAGYED-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)nc1 12523118 JBSQJYZJNPCSBS-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB COc1ccc2cc(CN3C[C@@H](C)O[C@H](C)C3)c(Cl)nc2c1 12978587 YPVROUROFZGRLL-VXGBXAGGSA-N 320.820 3.506 0 40 DHAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3ccccc3)n2)c1 13495301 VNDYORRIBJMEOQ-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N1CCCC1 16438222 XGSXAUKTMFQSOI-DTQAZKPQSA-N 320.392 3.768 0 40 DHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccccc1 17115603 SZJKSNOUKNQDFJ-UHFFFAOYSA-N 320.339 3.630 0 40 DHAB O=C(CCc1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 18114000 KSCVMVQIDPJEIB-UHFFFAOYSA-N 301.405 3.843 0 40 DHAB CCN1C(=O)CCc2cc(NC(=O)Nc3cccs3)ccc21 22507259 JPMJOVHADVMWIW-UHFFFAOYSA-N 315.398 3.691 0 40 DHAB Cc1ccc(CC(=O)NCc2ccc(Br)s2)cc1 25473660 XZQNSVHTJPSQJM-UHFFFAOYSA-N 324.243 3.678 0 40 DHAB O=C(NCCCOC1CCCCC1)NCc1ccc(Cl)cc1 29686441 WKVHWCUNJBGAPO-UHFFFAOYSA-N 324.852 3.879 0 40 DHAB CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCc2ccccc21 32905293 OUFBLEOYDVFZHT-KRWDZBQOSA-N 319.360 3.553 0 40 DHAB Cc1ccnc(-c2cc(C(=O)O)cc(-c3cc(C)ccn3)n2)c1 35654079 NNBGWOGEUVTVCJ-UHFFFAOYSA-N 305.337 3.521 0 40 DHAB COc1cc(C)c(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 40103469 CONHETOMZHDSKO-AAEUAGOBSA-N 306.406 3.712 0 40 DHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCc2ccccc21 40160438 VRZIWLMYYDAOKQ-UHFFFAOYSA-N 307.271 3.788 0 40 DHAB CCOc1ccccc1NC(=O)NCCSc1ccccc1 43333015 AMUCYYIQGQOVJW-UHFFFAOYSA-N 316.426 3.999 0 40 DHAB CC(C)Oc1ccccc1[C@H](C)NC(=O)COc1ccccc1 48364179 SVXVFIFCYQNFAB-HNNXBMFYSA-N 313.397 3.730 0 40 DHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccccc1Cl 58202472 OLJSFAIEWGVRKC-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB O=C(O)c1cnc(/C=C/c2csc(-c3ccccn3)n2)s1 58344408 MLVMJAJOLQDUFU-SNAWJCMRSA-N 315.379 3.530 0 40 DHAB CC[C@H](C)NC(=O)c1ccc(NC(=O)NC2CCCC2)c(C)c1 65585574 OGXZITRWMCVDSH-ZDUSSCGKSA-N 317.433 3.587 0 40 DHAB CCOC(=O)Nc1nnc(SCc2cccc(F)c2)s1 65589808 PZKFABHSVSHNAK-UHFFFAOYSA-N 313.379 3.538 0 40 DHAB COc1cccnc1NC(=O)c1cc2cc(C)ccc2nc1C 69530901 NNASMHGWOZZRCT-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB O=C(NCc1ccccn1)c1cccc(-c2ccc(F)cc2)c1 72264650 KIWSYESPUUTZLO-UHFFFAOYSA-N 306.340 3.818 0 40 DHAB CN1CCCC[C@@H]1COC(=O)c1sccc1SC(F)F 72310668 PLFNVKBNNCNOCG-SECBINFHSA-N 321.414 3.704 0 40 DHAB CN1CCN(C(=O)c2cc(F)cc(F)c2)c2cc(Cl)ccc21 76093416 MIJDPPKIJVYETK-UHFFFAOYSA-N 322.742 3.715 0 40 DHAB CCCn1nc(C)c(C(=O)Nc2ccc(SCC)nc2)c1C 89960632 FNZJYKVKPFORTJ-UHFFFAOYSA-N 318.446 3.669 0 40 DHAB COC(=O)c1ccsc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 95953237 HMIUEEWZKZFZLA-VXGBXAGGSA-N 307.415 3.712 0 40 DHAB Cc1noc(C)c1CNC(=O)N1CCC[C@H]1C1CCCCC1 95955257 HOYBTXQRNBZVPS-INIZCTEOSA-N 305.422 3.546 0 40 DHAB CC(C)Sc1ccccc1C(=O)NCCCCCCC(=O)O 95956958 JLQJXAZFEXJVSE-UHFFFAOYSA-N 323.458 3.952 0 40 DHAB CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C(F)(F)Cl 96012385 VQMVYGFMAFJXEU-UHFFFAOYSA-N 320.723 3.804 0 40 DHAB CC(C)Sc1ccc(CC(=O)NCCc2ccoc2)cc1 96096831 MVXYWFGQYNYUPL-UHFFFAOYSA-N 303.427 3.682 0 40 DHAB CO[C@@H](CNC(=O)CCc1ccccc1F)c1ccc(C)s1 96104771 IHRNHZWSJHQJNO-HNNXBMFYSA-N 321.417 3.632 0 40 DHAB Oc1cc(-c2ccc(F)cc2)nn1-c1nc2ccccc2s1 101311437 YHWYBPFZJYFMCL-UHFFFAOYSA-N 311.341 3.994 0 40 DHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223256350 ACYVCSDBQUBAIJ-HNNXBMFYSA-N 323.436 3.994 0 40 DHAB C[C@@H]1CCCN(C(=O)CSCc2ccc(Cl)cc2F)C1 224978037 YNNPCILRZGIDNH-LLVKDONJSA-N 315.841 3.971 0 40 DHAB CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(C)cc1 225486647 YHWLHCHXJDSSPG-HNNXBMFYSA-N 315.442 3.836 0 40 DHAB Cc1nc2cc(NC(=O)Nc3ccc(N(C)C)cc3)ccc2o1 409135341 YMPBJOGUFFUYGG-UHFFFAOYSA-N 310.357 3.846 0 40 DHAB O=C1[C@@H](Nc2ccc(Cl)cc2)CCCN1c1ccccc1 522377604 DXBQOFICHZYJAD-INIZCTEOSA-N 300.789 3.948 0 40 DHAB Cn1c(CNC(=O)C[C@H]2CCCC(C)(C)C2)nc2ccccc21 535162309 KZOQPROOLIKWFU-CQSZACIVSA-N 313.445 3.796 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2ccccc2CC)c1Cl 385524 KIYINIXQNBCYLC-UHFFFAOYSA-N 305.809 3.841 0 40 DHAB O=C1OCc2ccc(NC(=O)c3cccc4ccccc34)cc21 884365 HSSBZSKLDDGNRL-UHFFFAOYSA-N 303.317 3.763 0 40 DHAB Cc1nc2ncnn2c(C)c1Cc1c(Cl)cccc1Cl 1383846 NCGZJTRAUOGKGY-UHFFFAOYSA-N 307.184 3.639 0 40 DHAB CC1(C)CC(=O)C[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccccc1 1442019 KEHRRJFPXNWJJN-OALUTQOASA-N 321.420 3.958 0 40 DHAB Cc1ccc(N2N[C@]3(C[C@@H](C)CC(C)(C)C3)NC2=S)cc1 1754991 QMRFFSCJFCEJQN-GUYCJALGSA-N 303.475 3.737 0 40 DHAB Cc1cccc(OCCCCn2c(CO)nc3ccccc32)c1 1926890 SJCOAYPCGYXSPD-UHFFFAOYSA-N 310.397 3.696 0 40 DHAB Cc1cccc(Cl)c1NC(=O)c1ccccc1CC(=O)O 2543658 PNOUAVCTKRYFMH-UHFFFAOYSA-N 303.745 3.528 0 40 DHAB O=C(Nc1ccc2sccc2c1)[C@H]1COc2ccccc2O1 4088535 OTTCWUHJEXAFDO-OAHLLOKOSA-N 311.362 3.680 0 40 DHAB CCc1cccc(CC)c1N(C(C)=O)c1nc(C=O)cs1 4218831 WJQHKMYBFPUYDN-UHFFFAOYSA-N 302.399 3.765 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccs1 4276138 QZYUOYRRZUPQNW-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB C[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 4353240 KNJHGAIWASQHSB-BIIJJZAFSA-N 312.365 3.603 0 40 DHAB O=C(NCCOc1ccccc1Cl)c1cccc(Cl)c1 4698387 UCWLFDBKUFIAGY-UHFFFAOYSA-N 310.180 3.802 0 40 DHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 5126731 LLKKXQFLYVMJBX-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB CCCCCC[C@@H]1NC[C@H](C(=O)O)c2c1[nH]c1ccccc21 5418428 OSWZLRKYNFSNQM-ZFWWWQNUSA-N 300.402 3.951 0 40 DHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccs2)CC1 5614632 BITGJGUMKSGJCO-UHFFFAOYSA-N 320.845 3.672 0 40 DHAB COc1cccc(-c2nnc(SC(=O)c3ccccc3)o2)c1 7939588 ARVVXLYGHLRLHP-UHFFFAOYSA-N 312.350 3.678 0 40 DHAB Cc1nc(CC(=O)Nc2nc3cc(C)c(C)cc3s2)cs1 7996348 FWMBFOHIVRFACC-UHFFFAOYSA-N 317.439 3.859 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccccc1OC(F)F 9314771 CRQXVCPINNXWCQ-UHFFFAOYSA-N 307.296 3.939 0 40 DHAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C)s1 9315102 UGLUFDAWXUPRIM-UHFFFAOYSA-N 313.382 3.976 0 40 DHAB COc1ccc(CSCC(=O)N2CCc3ccccc32)cc1 10449006 NWZCNEOLTYMABV-UHFFFAOYSA-N 313.422 3.518 0 40 DHAB Cc1ccc2nc(NC(C)(C)CO)nc(-c3ccccc3)c2c1 11692710 RIXCGNSDDWUPIM-UHFFFAOYSA-N 307.397 3.788 0 40 DHAB O=C(NCCc1ccccc1)c1csc(-c2ccccc2)n1 12997208 OJAQQAYGGGBYEN-UHFFFAOYSA-N 308.406 3.783 0 40 DHAB S=C(NCc1ccc(Br)cc1)Nc1ccccc1 13577047 XLEVZQWDWGUOCX-UHFFFAOYSA-N 321.243 3.936 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cn1 19801991 GYBCMQXZSBUXMK-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB Cc1ccc([C@@H](C)NCc2cc(Cl)c3c(c2)OCCO3)o1 22794461 RLKDXZHWFMQTFG-LLVKDONJSA-N 307.777 3.863 0 40 DHAB Cc1cn2c(CC(=O)Nc3ccc(Cl)cc3F)csc2n1 24971795 WBOZHUXLWIIOKM-UHFFFAOYSA-N 323.780 3.678 0 40 DHAB COc1ccc(-n2ccnc2S[C@@H]2CCCCCC2=O)cc1 26048894 IDARTZIDWUKOKP-MRXNPFEDSA-N 316.426 3.875 0 40 DHAB COc1ccc(/N=c2\scc(C)n2Cc2ccccn2)cc1 28909139 RRXKTYDPWFGPIW-ZPHPHTNESA-N 311.410 3.542 0 40 DHAB Cc1cccc(NC(=O)CN(C)c2nc3ccccc3o2)c1C 30592554 UPIZACQKASGRCH-UHFFFAOYSA-N 309.369 3.520 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(F)cc2F)c(Cl)c1 32672233 RYDJMEURXYENDD-UHFFFAOYSA-N 311.715 3.944 0 40 DHAB CCc1noc(C)c1C(=O)Nc1cc(C)c(Cl)cc1OC 32727092 CMBCUEZTNKKHJC-UHFFFAOYSA-N 308.765 3.768 0 40 DHAB Clc1cccc(OCc2nc(-c3cccnc3)n[nH]2)c1Cl 34925898 FHQLJKXYQZMHEK-UHFFFAOYSA-N 321.167 3.753 0 40 DHAB O=C(Nc1ccn(-c2ccccc2)n1)N1CCc2sccc2C1 43621543 GRYUYHZIUMJACS-UHFFFAOYSA-N 324.409 3.524 0 40 DHAB c1ccc(-c2noc(CN3CCC[C@@H]3c3ccsc3)n2)nc1 44975349 YNLUMEFBOWDDEM-CQSZACIVSA-N 312.398 3.530 0 40 DHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccncc2)c1 45584619 IAQFZLSTXJSAQY-HNNXBMFYSA-N 312.413 3.597 0 40 DHAB COc1ccc(OC)c(NC(=O)Nc2ccc(F)cc2F)c1 51354083 DYHRYWAXOUAQFU-UHFFFAOYSA-N 308.284 3.626 0 40 DHAB O=C(/C=C/c1cccs1)NCc1ncc(-c2ccccc2)o1 57142894 BRBMGEURDOZMEA-CMDGGOBGSA-N 310.378 3.733 0 40 DHAB COc1cc(C(=O)Nc2cnc3ccccc3c2)cc(OC)c1C 58441792 ROWQSRQEDSPQRJ-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1CC(C)(C)C 61525966 ZPBGCVMHYDNRFS-SWLSCSKDSA-N 305.466 3.568 0 40 DHAB CCN1C[C@H](CN(C)c2nc3ccccc3o2)Oc2ccccc21 71794382 VUYASACXKHAWLZ-AWEZNQCLSA-N 323.396 3.552 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2Cl)no1 71877680 AKFNNLCHBWFIFF-SNVBAGLBSA-N 310.806 3.897 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)C(C)(C)C)c(Cl)c1 71902339 BRFXJGPXCQDFOF-VIFPVBQESA-N 311.813 3.855 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CC[C@H](C)CC[C@H]1C(C)C 71910112 BLQIUAXZJDITEM-DYVFJYSZSA-N 306.450 3.897 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccn(C(C)C)n2)n1 72281649 VEJYNNSDTUHTTE-AWEZNQCLSA-N 318.446 3.596 0 40 DHAB CCC(CC)c1cc(C(=O)N2CCn3cccc3[C@@H]2C)on1 72295596 PTUYWSBKFNSWFG-LBPRGKRZSA-N 301.390 3.597 0 40 DHAB O=C(NCc1ncc(-c2ccccc2)o1)C1(c2ccccc2)CC1 79717548 DLIZZUCSBZQKAK-UHFFFAOYSA-N 318.376 3.690 0 40 DHAB O=C(c1ccccc1F)c1ccccc1CN1CCSCC1 85651678 HTKGMEKKHMDKIC-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB COc1cc(C(=O)Nc2cncc3ccccc23)cc(OC)c1C 89762290 BDXXNSIWWNLCRZ-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB C[C@H](c1ccccc1)n1ccc(NC(=O)CCC(F)(F)F)n1 89905767 AYFBYDRWPWSIOI-LLVKDONJSA-N 311.307 3.773 0 40 DHAB CC[C@H](NC(=O)c1ccccc1SC(F)F)[C@H]1CCCO1 89942883 OLPWFWUIMHWBPH-NWDGAFQWSA-N 315.385 3.689 0 40 DHAB Cn1cc(CN2CCc3cc(F)c(F)cc32)c(C(C)(C)C)n1 96003676 UYGCKABIJAVILN-UHFFFAOYSA-N 305.372 3.559 0 40 DHAB CO[C@@H]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)C1 96122199 XYOPAWMWUKEQPU-LKQLOZHYSA-N 322.408 3.564 0 40 DHAB CCCN1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 96155755 WLHXQDXFRDTQAY-UHFFFAOYSA-N 320.440 3.986 0 40 DHAB CCc1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)cc1 96761817 AYFRJGZQZGKJQI-UHFFFAOYSA-N 311.425 3.765 0 40 DHAB O=C(NC12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc[nH]1 97083378 GYCBVJNRQFPXJG-MPLXBHQASA-N 312.335 3.646 0 40 DHAB C[S@](=O)Cc1ccccc1NC(=O)c1coc2ccccc12 97139752 FABZSPRKRWRUKD-JOCHJYFZSA-N 313.378 3.564 0 40 DHAB CCOc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 100749974 VSLSWBVAZZCISO-OALUTQOASA-N 315.413 3.809 0 40 DHAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1cccs1)n2C 100819119 DEZQVECVQLGNOZ-FOCLMDBBSA-N 302.424 3.659 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 103249480 YEVVSXREWCKLQT-AJNGGQMLSA-N 321.848 3.968 0 40 DHAB O=S(=O)(Nc1ccccc1)c1ccc2c3c(cccc13)CC2 109952454 ZDIOQQADASLGAT-UHFFFAOYSA-N 309.390 3.739 0 40 DHAB Cc1ccc(C)c(C(=O)NCc2ccccc2-n2ccnc2C)c1 143245190 MREBHQPOWWCLTR-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc(Cl)cc1F 222903292 GSRSLBOCISBUEK-LLVKDONJSA-N 303.764 3.999 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1cc(C(=O)OCC)ccc1C 225383044 CPKQVHQRUGRHTR-GFCCVEGCSA-N 308.447 3.647 0 40 DHAB CCOc1ccc(Nc2ccc(N)cc2C(=O)OC(C)C)cc1 225479583 LWOVTAVMJJPHEF-UHFFFAOYSA-N 314.385 3.976 0 40 DHAB CCCCOc1ccc(C2=NN[C@H]3CC(C)(C)CC(=O)[C@@H]23)cc1 228928530 YGFYSOXAKNINQE-RDJZCZTQSA-N 314.429 3.547 0 40 DHAB C[C@H](NC[C@H](O)COCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 252505364 LPUMTQRKKILSNT-LPBINRMYSA-N 317.473 3.541 0 40 DHAB CNc1cc([C@H]2CCCN2C(=O)/C=C/c2cccs2)ccn1 257330757 XPTKKDSWRGZFPO-LQYUOIDQSA-N 313.426 3.562 0 40 DHAB CCCOCc1nn(CCC(F)(F)F)cc1Br 408716619 OXNXYKBOPQWPCE-UHFFFAOYSA-N 315.133 3.525 0 40 DHAB C[C@H](C(=O)O)c1cccc(NC(=O)[C@@H]2CCc3ccccc3C2)c1 581731148 MDPHTWZUHMZEFS-SUMWQHHRSA-N 323.392 3.618 0 40 DHAB Brc1cccc2c(OC3CCOCC3)ccnc12 685937113 AUBYYFRQABXYMW-UHFFFAOYSA-N 308.175 3.555 0 40 DHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN1 953000173 DNVGBGJJZGVKIJ-NRFANRHFSA-N 322.452 3.543 0 40 DHAB Ic1ccc(N2CCC2)c2ccccc12 2362804366 QOSKGAVJTKSAHY-UHFFFAOYSA-N 309.150 3.655 0 40 DHAB Clc1ccc([C@H]2C[C@H](c3ccco3)n3ncnc3N2)cc1 350190 AWEXLJNOLIENAV-CHWSQXEVSA-N 300.749 3.671 0 40 DHAB Cc1cccc(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c1 364573 OFZHXZHOJQJCTK-LBPRGKRZSA-N 323.651 3.875 0 40 DHAB O=C1[C@@H](O)[C@@H](c2ccccc2)c2ccccc2N1c1ccccc1 1564172 IKSHEFTYHQNATA-PMACEKPBSA-N 315.372 3.858 0 40 DHAB Cc1cccc(C(=O)[C@@](O)(c2ccccc2)[C@@H]2CCCCC2=O)c1 1731609 LDNHSKULSWUSNY-WIYYLYMNSA-N 322.404 3.825 0 40 DHAB CN(C)CCCNc1nc(-c2ccccc2)nc2ccccc12 1771426 NVQQPFHYIOOQAG-UHFFFAOYSA-N 306.413 3.660 0 40 DHAB CCCOc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1 2290350 VDIPVUMIUBDZHN-UHFFFAOYSA-N 308.333 3.813 0 40 DHAB O[C@H](CN1CCC(c2nc3ccccc3o2)CC1)c1ccccc1 2616060 GVAKHDZICRSYMD-GOSISDBHSA-N 322.408 3.741 0 40 DHAB COC(=O)c1ccc(CSc2nncc3ccccc23)cc1 2699485 QCCNEIJOODWUQD-UHFFFAOYSA-N 310.378 3.709 0 40 DHAB COc1cccc(/C=C/C(=O)OCc2ccccc2F)c1OC 3294326 ACWCIYZEPHMSFM-ZHACJKMWSA-N 316.328 3.600 0 40 DHAB Cc1noc(C(=O)Nc2ccccc2C(F)(F)F)c1Cl 4077190 WIDPPIFSRHEJDN-UHFFFAOYSA-N 304.655 3.908 0 40 DHAB CCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 4083063 XKJYQGQMUPMJPB-UHFFFAOYSA-N 323.400 3.730 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2 5555640 HFKPWPZRPGJOIT-UHFFFAOYSA-N 323.270 3.615 0 40 DHAB COc1ccccc1NC(=O)CSCc1ccccc1F 5556006 MKQDYUOQALEMNF-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB Cc1cccc(NC(=O)CCc2nc(-c3ccccc3)no2)c1 5577219 UMERPRRGQZGCGU-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SC 5717859 DUXYCBNERQJMHX-UHFFFAOYSA-N 317.336 3.618 0 40 DHAB CCOC(=O)c1ccc(Cn2cc(C=O)c3ccccc32)cc1 5948095 JLMPFHDSLQEMQK-UHFFFAOYSA-N 307.349 3.679 0 40 DHAB CC(=O)Nc1ccc(CC(=O)Nc2cccc(Cl)c2C)cc1 7129487 KKWHFMCFKWDACN-UHFFFAOYSA-N 316.788 3.788 0 40 DHAB Cc1nnc(COc2ccc3ccccc3c2Br)o1 7737729 GNVXPRMRLJEUHN-UHFFFAOYSA-N 319.158 3.873 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1C 8041437 DHRVZNXYVRLGQS-INIZCTEOSA-N 301.361 3.608 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCCCC1 8062728 VVKTZBPWORRZDB-UHFFFAOYSA-N 311.429 3.686 0 40 DHAB O[C@@H](COC12CC3CC(CC(C3)C1)C2)CSc1ccccn1 11692565 GZKQFYRLPUHOSL-KUNBBXKYSA-N 319.470 3.520 0 40 DHAB COc1cccc(-c2noc(CN3c4ccccc4C[C@@H]3C)n2)c1 12563460 GKWAMJLOTBUUQF-ZDUSSCGKSA-N 321.380 3.696 0 40 DHAB COc1ccc(NC(=O)C[C@H](C)NCCC2=CCCCC2)cc1 12691675 PWOHVUGDQPMOLP-HNNXBMFYSA-N 316.445 3.892 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12 12781712 GWRBMAONTTYROS-UHFFFAOYSA-N 311.316 3.800 0 40 DHAB Cc1cccc2sc(C(=O)Nc3nncs3)c(Cl)c12 12852557 ZPJSOPQPMURXSS-UHFFFAOYSA-N 309.803 3.967 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CN[C@H](C)c3ccccc3)cc2c1 13998770 MFECMHKVFXZMHB-CQSZACIVSA-N 322.408 3.778 0 40 DHAB COc1ccc2c(c1)OCC(C(=O)Nc1cc(C)ccc1C)=C2 14115152 LBJHLZMLZBVGHK-UHFFFAOYSA-N 309.365 3.727 0 40 DHAB COc1ccc(NC(=O)COc2ccccc2C)c2cccnc12 15840607 KODGLQNVYVYPBK-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB S=C(NCc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2 17055550 UGSITRWAICXRPJ-UHFFFAOYSA-N 320.801 3.555 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccccc2)[nH]n1 17971574 IUMRPJAEYHCOCN-CYBMUJFWSA-N 321.380 3.576 0 40 DHAB Cc1cc(C)n(CCCNc2ncnc3sc(C)c(C)c23)n1 18055656 SXSZROVNWXWPBS-UHFFFAOYSA-N 315.446 3.624 0 40 DHAB CCCCNc1nc(SC)nc2sc3c(c12)CCN(C)C3 20444093 WCLIBVOBQIZGMP-UHFFFAOYSA-N 322.503 3.613 0 40 DHAB Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 30847736 XSRRGPISDLXTPK-INIZCTEOSA-N 317.454 3.792 0 40 DHAB COc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1 30864077 ZKAAPRYFZJDVGD-UHFFFAOYSA-N 303.789 3.550 0 40 DHAB Cc1cc(-c2ccc3c(=O)n(-c4ccccc4)[nH]c3n2)c(C)o1 31820337 BHJCGOXOUGUHEX-UHFFFAOYSA-N 305.337 3.591 0 40 DHAB CC(C)(C)CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 31984541 UHBCHRJGXDKCLJ-UHFFFAOYSA-N 323.458 3.778 0 40 DHAB Cc1cc(SCC(=O)N(C2=CCCCC2)C2CC2)nc(C)n1 32818831 AIBZGWNGSPCBEJ-UHFFFAOYSA-N 317.458 3.634 0 40 DHAB CCOc1ccc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)cc1OC 32830855 VZLCIFKCKHQSTB-ZIAGYGMSSA-N 303.402 3.627 0 40 DHAB CCCOc1ccccc1C(=O)Nc1cccc2nsnc12 35672826 MDRIWFBSVHVQFS-UHFFFAOYSA-N 313.382 3.732 0 40 DHAB COc1ccc(C[C@@](C)(CC(=O)c2ccccc2)C(=O)O)cc1 38600256 RVJVTQOKJRMSGE-IBGZPJMESA-N 312.365 3.602 0 40 DHAB CC(C)CCNC(=O)Cn1ccc2c(Br)cccc21 40266938 TVDKJWODWMFYGT-UHFFFAOYSA-N 323.234 3.566 0 40 DHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 40946051 AQXZBYBDMNTXCH-LLVKDONJSA-N 305.761 3.755 0 40 DHAB CC[C@@H]1CN(Cc2nc3ccccc3c(C)c2Cl)CCO1 45752444 YZAHVUHHIIJTJN-CYBMUJFWSA-N 304.821 3.807 0 40 DHAB COc1cc(C)ccc1S(=O)(=O)Nc1c(C)cc(C)cc1C 54363327 ZMSZQNHAVOONNT-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB C[C@@H]1CCN(C(=O)CN(C)c2ccccc2)[C@H]2CCCC[C@@H]21 59371419 ZZYOEGPAVVOFKS-NXHRZFHOSA-N 300.446 3.550 0 40 DHAB CCOc1cc(C(=O)OC)ccc1OCc1ccc(C)cc1 62170259 YNRXSKTZUFRNBH-UHFFFAOYSA-N 300.354 3.759 0 40 DHAB CCO[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2Cl)C1 65625878 KBWAQPLYCHINJC-CYBMUJFWSA-N 310.825 3.990 0 40 DHAB CC(C)c1ocnc1C(=O)N(C)Cc1ccc(OC(F)F)cc1 69775499 SCJXAJVNLORKHF-UHFFFAOYSA-N 324.327 3.672 0 40 DHAB CC(=O)N1CCC(Nc2cc(C)c3ccc(C)c(C)c3n2)CC1 71795954 ZTJPTXYUKRYTNR-UHFFFAOYSA-N 311.429 3.583 0 40 DHAB COCc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 71844104 OLAJLUXYKKHAIV-KRWDZBQOSA-N 310.397 3.854 0 40 DHAB Cc1ccnc(-c2ccc(NC(=O)N3CCCCCC3)cc2)n1 71909242 WFRAAQIUQKFUNT-UHFFFAOYSA-N 310.401 3.860 0 40 DHAB COc1cccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c1 72238558 REGYXWYCFXBKLE-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 72414363 CMPNHICVZVZKIW-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CNCc2ccccc2F)CC1 89212597 QRRAXGTXVFYGOB-UHFFFAOYSA-N 322.424 3.562 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CNCc2ccc(F)cc2)CC1 89212603 KOUYUMZVXMRSFG-UHFFFAOYSA-N 322.424 3.562 0 40 DHAB COCc1cc(C(=O)N(C)[C@@H](C)c2ccc3ccccc3c2)no1 95403471 LJPZGHGKVYVRNG-ZDUSSCGKSA-N 324.380 3.807 0 40 DHAB C[C@H](CNC(=O)C1(Cc2ccccc2)CCC1)c1ccncc1 95411259 QQLPYNWHSGGNSU-MRXNPFEDSA-N 308.425 3.714 0 40 DHAB CC(=O)OCCc1cccc(NC(=O)c2cc(C)c(C)s2)c1 95467376 LFPQJAFBAIMZIR-UHFFFAOYSA-N 317.410 3.723 0 40 DHAB CC[C@H](N[C@H](C)c1ccc(OC)cc1F)c1c(C)nn(C)c1C 95968716 MGTYKPHEBLNZGX-DIFFPNOSSA-N 319.424 3.987 0 40 DHAB CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(CC)s1 95969211 NNYNWSWCPRHXCT-WCQYABFASA-N 304.463 3.650 0 40 DHAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@@H]2C1=O 100060595 OMWHWNXMGRTOLH-LTDCPUDJSA-N 319.404 3.787 0 40 DHAB COc1cccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)c1 100893072 LCEBTOIPUNAZDP-UHFFFAOYSA-N 324.361 3.803 0 40 DHAB COC(=O)C(C)(C)N1c2cc(OC)ccc2C(C)=CC1(C)C 223205980 LLVIMLDXMHSYPA-UHFFFAOYSA-N 303.402 3.649 0 40 DHAB CCCNC(=O)c1ccc(Nc2ccccc2Cl)c(N)c1 225422990 RIXGWEMGGAXVKF-UHFFFAOYSA-N 303.793 3.806 0 40 DHAB COc1cccc(C(=O)Nc2nnc(SCC(C)C)s2)c1 225634275 WWLIBMOVSGBKQB-UHFFFAOYSA-N 323.443 3.547 0 40 DHAB CCOC(=O)c1ccc(NC(=O)NC2CCCCC2)c(C)c1 225755433 ZAXZGFBLGTWOPR-UHFFFAOYSA-N 304.390 3.626 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1 225761268 WDUWOETZJGIEFT-UHFFFAOYSA-N 314.341 3.516 0 40 DHAB C[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccccc1 225773217 UOTRLCLQRVSUJD-OAHLLOKOSA-N 309.409 3.822 0 40 DHAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1 257254964 KFMYYLMQUBTONJ-CQSZACIVSA-N 317.458 3.891 0 40 DHAB Cc1cnc(C2(C)CCN(C(=O)Cc3ccsc3)CC2)s1 257292832 QNDDYYUJFQXPMV-UHFFFAOYSA-N 320.483 3.636 0 40 DHAB CC(C)Cc1ccccc1CNC(=O)N[C@H](C)c1cscn1 528046092 UIBCHJNTSCEHHH-CYBMUJFWSA-N 317.458 3.902 0 40 DHAB Cc1nnccc1NC(=O)N1CCC(CCc2ccccc2)CC1 547867100 UKMBFRWQEFYVEP-UHFFFAOYSA-N 324.428 3.662 0 40 DHAB Cc1cc2c(cc1C)N(C(=O)c1ncccc1OC(C)C)CC2 585082275 VOVRTXUMJPVHME-UHFFFAOYSA-N 310.397 3.689 0 40 DHAB C[C@H](Sc1nnc(N2CCCC2)s1)c1ccc(F)nc1 585133170 YAHSFHGMCFHIKN-VIFPVBQESA-N 310.423 3.526 0 40 DHAB CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 1203306367 QQISWOIGHVRQGC-VQIMIIECSA-N 316.445 3.566 0 40 DHAB Cc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1F 1889148815 WPXPIJQLAYUZOS-UHFFFAOYSA-N 312.388 3.624 0 40 DHAB CC(C)CNC(=O)CSCc1c(Cl)cccc1Cl 2179288 ABDFJIDFZORNND-UHFFFAOYSA-N 306.258 3.999 0 40 DHAB O=C(COc1ccc(Cl)c(Cl)c1)NC1CCCCC1 3403028 QCBLCOHQDFJNDX-UHFFFAOYSA-N 302.201 3.821 0 40 DHAB CCCC[C@H](CC)CNC(=O)c1cc2ccccc2c(=O)o1 3634363 UFMKOVATKIVMRP-ZDUSSCGKSA-N 301.386 3.739 0 40 DHAB Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 5093895 VMEHHVKLCJLNTO-UHFFFAOYSA-N 315.170 3.540 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1ccccc1Cl)S[C@@H](C)C(=O)N2 6678461 ZKTSGSXKKFBBAW-QPUJVOFHSA-N 307.806 3.535 0 40 DHAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccccc1 6816113 UDSGRRDJFAERLS-UHFFFAOYSA-N 322.389 3.672 0 40 DHAB c1cc2c(cc1CSCc1ccc3c(c1)OCO3)OCO2 7149720 MIATYYZLFSIKLP-UHFFFAOYSA-N 302.351 3.577 0 40 DHAB S=C(NCc1ccco1)Nc1ccc(-c2nccs2)cc1 7557455 RKQMEEDOARXOHZ-UHFFFAOYSA-N 315.423 3.890 0 40 DHAB C[C@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2 7689065 JEAYPTKBIMIRFD-LBPRGKRZSA-N 321.467 3.666 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc2cccnc12 7989058 LIIHCFYOGXPEDX-UHFFFAOYSA-N 320.348 3.648 0 40 DHAB CCC(=O)N1CCCc2cc(NC(=O)c3cccs3)ccc21 8768617 FCYPLROYNYHARC-UHFFFAOYSA-N 314.410 3.690 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)on1 10998294 ZYIFBJVJZXVLDD-MRVPVSSYSA-N 315.156 3.696 0 40 DHAB Cc1nn(-c2ccccc2F)c2nc(C(C)C)cc(C(=O)O)c12 12398013 BXSUCJBFZBTLTD-UHFFFAOYSA-N 313.332 3.690 0 40 DHAB CSc1ccc(NC(=O)CN(C)Cc2ccsc2)cc1 12875345 HPYCDQMKTIAVBZ-UHFFFAOYSA-N 306.456 3.541 0 40 DHAB Cc1c(NC(=S)Nc2cc(Cl)cc(Cl)c2)cnn1C 13771614 LZRZQIICLBHBMU-UHFFFAOYSA-N 315.229 3.844 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccccc1 14142176 DBWNHKJDBYYICK-UHFFFAOYSA-N 319.408 3.761 0 40 DHAB O=C(Nc1ccc(F)cc1F)c1cnc(Cl)c(Cl)c1 14162406 URUGWHLJKJKLSU-UHFFFAOYSA-N 303.095 3.919 0 40 DHAB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccccc1 14704749 UGIGQPHWVLWVSS-NSHDSACASA-N 300.379 3.665 0 40 DHAB Cc1ccc([C@@H](c2ccccc2)C(CC(=O)O)CC(=O)O)cc1 17014756 ZRZLIGARUAPHMR-LJQANCHMSA-N 312.365 3.693 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1cc(Cl)ccc1F 17971616 ADXPMZDFQWKIOR-SNVBAGLBSA-N 307.752 3.979 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(F)c(F)c1F 20029703 JUQRHJGVBHXFAR-AWEZNQCLSA-N 305.299 3.911 0 40 DHAB Cc1cc(NC(=O)c2cccc3ccccc23)cc(C(=O)O)c1O 20138918 SHAPAMQMQJPFQA-UHFFFAOYSA-N 321.332 3.804 0 40 DHAB CC1CCC(NC(=O)c2cnc3onc(C(C)C)c3c2)CC1 22242703 BIRQCVZIAFYMCD-UHFFFAOYSA-N 301.390 3.655 0 40 DHAB CCc1c(C(=O)N2CCC[C@@H](C)C2)cnn1-c1ccc(C)cc1 23108562 QFXLIEHMJOTSTH-OAHLLOKOSA-N 311.429 3.615 0 40 DHAB COc1cc(F)ccc1NC(=O)c1ccc(Br)cc1 25309568 WKFMSUSBLQMBFB-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB COC(=O)c1cccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c1C 39953698 ROSRTGNXCCHPIF-HNNXBMFYSA-N 319.401 3.854 0 40 DHAB Cc1nnc(NC(=O)C2(c3cccc(Cl)c3)CCC2)s1 40050442 WUZIADHWJYPSLI-UHFFFAOYSA-N 307.806 3.560 0 40 DHAB CCc1noc([C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)n1 41122353 GNQZVQWFZSYOMK-OAHLLOKOSA-N 319.449 3.699 0 40 DHAB CSc1ccccc1NC(=O)CCCc1nc(C(C)C)no1 46758900 XXZNPLUXMVVOQA-UHFFFAOYSA-N 319.430 3.876 0 40 DHAB COc1ccc([C@@H]2NC(=S)N[C@H]3c4ccccc4CC[C@H]23)cc1 51330138 CDPQLJBXDSDFON-SQNIBIBYSA-N 324.449 3.518 0 40 DHAB CC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccccc1OC 52748788 WMDTZEVSCMPJAQ-OAHLLOKOSA-N 315.417 3.528 0 40 DHAB COc1cc(OC)c(OC)cc1CNC(C)(C)c1ccccc1 57994459 PNNQAQOJAPRJGE-UHFFFAOYSA-N 315.413 3.737 0 40 DHAB CCOc1cc(CNC(=O)c2cc3ccccc3s2)ccn1 58951007 XZRMIDFDGBZOIO-UHFFFAOYSA-N 312.394 3.625 0 40 DHAB C[C@@H](OC(=O)c1ccc(NC2CC2)nc1)c1c(F)cccc1F 63988842 BKZXHHLOTHPMIG-SNVBAGLBSA-N 318.323 3.852 0 40 DHAB Cc1ccsc1-c1cccc(NC(=O)c2ccc(=O)n(C)c2)c1 66553205 AJGCWXILUNKRMN-UHFFFAOYSA-N 324.405 3.675 0 40 DHAB C[C@@H](NCc1csc(-c2ccsc2)n1)[C@@H](C)n1cccn1 69372521 YXEKXFUUSREJKH-VXGBXAGGSA-N 318.471 3.807 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](c3ccccc3C)C2)c1C 69582050 WCTFYSSBJWEQRP-INIZCTEOSA-N 324.424 3.772 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@H]1c1ccsc1 71841386 UPXQUYKSBOIVEO-ZDUSSCGKSA-N 324.833 3.994 0 40 DHAB COCCN(C)C(=O)Nc1ccc(SC(C)(C)C)cc1C 71854042 GHRNRUDRRRXISC-UHFFFAOYSA-N 310.463 3.996 0 40 DHAB Cc1cc(OCC(=O)Nc2c(C)cccc2C(C)C)nnc1C 71883975 VRIGSLKSHOAMAK-UHFFFAOYSA-N 313.401 3.543 0 40 DHAB CC[C@H](C)[C@@H](C)N(C(=O)Nc1cc(C(N)=O)ccc1C)C1CC1 71921478 HTLDBWAXGFCJDW-WCQYABFASA-N 317.433 3.525 0 40 DHAB CNc1ncc([C@H]2CCCCN2C(=O)c2ccccc2)cc1C 72219017 DPLMSAHVUVOKDZ-QGZVFWFLSA-N 309.413 3.799 0 40 DHAB CN(Cc1ccccc1)c1ccc(C(=O)c2ccccc2)cn1 72225366 NBWBSKCDZWWFIV-UHFFFAOYSA-N 302.377 3.949 0 40 DHAB CCOc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2occc12 72240135 WXICOQBEYFEUDZ-CHWSQXEVSA-N 301.386 3.950 0 40 DHAB Cc1cc(-c2cnc(NC(C)C)nc2-c2cccnc2C)on1 72336757 QERKTRUMQOCBJR-UHFFFAOYSA-N 309.373 3.631 0 40 DHAB CCc1nccn1-c1cccc([C@H]2CCCN2C2CCCC2)n1 72379129 CQUAWTAZQNPNTJ-QGZVFWFLSA-N 310.445 3.909 0 40 DHAB O=C(c1cccc(Cl)c1)N1CCC[C@H](Cc2nccs2)C1 72384942 CNHOQAVPKZUQOU-GFCCVEGCSA-N 320.845 3.891 0 40 DHAB CC(=O)c1ccccc1C(=O)Nc1ncc(C(C)(C)C)s1 74121207 ARSXLJXIYAUXSF-UHFFFAOYSA-N 302.399 3.896 0 40 DHAB Cc1c(Cl)c(CN(C)Cc2cn[nH]c2)nc2ccccc12 75092787 URRPCJFZWYWRPX-UHFFFAOYSA-N 300.793 3.552 0 40 DHAB O[C@H]1Cc2cccc(NCc3cc4ccccc4nc3Cl)c2C1 75094713 NMSDOOPASTYZIQ-HNNXBMFYSA-N 324.811 3.960 0 40 DHAB CC(C)C[C@@H](c1nc(-c2ccsc2)no1)N1CCCCC1=O 88335512 YLVBEORANWQRIQ-ZDUSSCGKSA-N 319.430 3.898 0 40 DHAB Cc1ccc(NCc2nc(C)cs2)c(OC[C@@H]2CCCO2)c1 89623814 KLUGVTYXVNLJDL-AWEZNQCLSA-N 318.442 3.930 0 40 DHAB O=C(Nc1cc(F)c(F)cc1Cl)N(CC(F)F)C1CC1 89762009 UZDLXCVDIKZRJX-UHFFFAOYSA-N 310.678 3.880 0 40 DHAB Cc1nnc(CS[C@H](C)c2ccc(OC(F)F)cc2)n1C 91029760 FDCSSKQWEKAVDS-SECBINFHSA-N 313.373 3.719 0 40 DHAB Cc1ccc(Cn2c(C3CCNCC3)nc3ccccc32)cc1 91356071 ZAXWVKPOFYWYBO-UHFFFAOYSA-N 305.425 3.860 0 40 DHAB O=C(O)CCCCCNC(=O)c1ccccc1-c1ccccc1 95377530 UIQBGJFPFMDYOL-UHFFFAOYSA-N 311.381 3.728 0 40 DHAB O=C(C[C@@H]1CCOC1)Nc1ccc(Sc2cccs2)cn1 95403656 CKQAHHUWULKQBA-NSHDSACASA-N 320.439 3.659 0 40 DHAB CC(C)n1ccc(CC(=O)Nc2cccnc2-c2ccccc2)n1 95437871 WSGWEEOBVOVDIC-UHFFFAOYSA-N 320.396 3.707 0 40 DHAB C[C@@H]1OCC[C@H]1SCCOc1ccccc1Br 95982658 HBFXBCXHXUIOFG-GXFFZTMASA-N 317.248 3.739 0 40 DHAB O=C(Nc1cccc(SCC2CCCC2)c1)N1CC[C@@H](O)C1 96009328 FMUOIVSSIUBUGF-OAHLLOKOSA-N 320.458 3.567 0 40 DHAB Cc1cccc(CN2CCC[C@]3(CCN(c4ccccc4)C3)C2)n1 96216156 VNIQHNWPWJGHLI-NRFANRHFSA-N 321.468 3.883 0 40 DHAB COCCCCC(=O)N1CCCSc2ccc(Cl)cc21 96456537 QSTGJTDWLVOCPL-UHFFFAOYSA-N 313.850 3.986 0 40 DHAB CC(C)(CNc1ccc(N2CCCC2=O)cn1)c1ccccc1 97230666 FFWKNKGQUAWXIZ-UHFFFAOYSA-N 309.413 3.598 0 40 DHAB CC1(C)CC2=Nc3nonc3N[C@@H]([C@@H]3CC=CCC3)C2=C(O)C1 102749710 MWHXXHXFNHBNND-YGRLFVJLSA-N 314.389 3.925 0 40 DHAB Cn1/c(=N\C(=O)/C=C/c2ccc(F)cc2)sc2ccccc21 103040122 RKZBDGNKRSCVNT-LRJMSXFNSA-N 312.369 3.520 0 40 DHAB O=C(Cc1cccnc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206874987 BCKAYCCHTGUDEN-QGZVFWFLSA-N 312.388 3.560 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C 224397367 ZABHDTBREJCRKG-CABCVRRESA-N 313.397 3.648 0 40 DHAB O=C(CCCn1cccc1)Nc1nc2c(s1)CCCCC2 524735610 NFTCEUBFMVAKGX-UHFFFAOYSA-N 303.431 3.632 0 40 DHAB O=C(NCCc1ccco1)[C@@H](c1cccnc1)C1CCCCC1 585141296 SCLBABVWVKCZNA-GOSISDBHSA-N 312.413 3.697 0 40 DHAB O=C(CCc1cccc(Cl)c1)NC[C@@H]1COc2ccccc21 674485551 ORCRJPVAXLUJGO-CQSZACIVSA-N 315.800 3.565 0 40 DHAB CC[C@H](C)[C@H](NC)C(=O)OC(c1ccccc1)c1ccccc1 675082779 JUSIGNSKLHFRNY-YJBOKZPZSA-N 311.425 3.953 0 40 DHAB Cc1cccc(C(=O)N2CCC(COc3ncccc3C)CC2)c1 1775969486 VHDOLHPEZNHEDZ-UHFFFAOYSA-N 324.424 3.630 0 40 DHAB CCc1cc2ccccc2nc1SCC(=O)N1CCCCC1 413289 DWNBWHPMSIMWHL-UHFFFAOYSA-N 314.454 3.902 0 40 DHAB Fc1ccc([C@@H]2N(c3ccccc3)C(=S)N3CCCN23)cc1 552419 UYEWESFPTVLZDS-INIZCTEOSA-N 313.401 3.552 0 40 DHAB O=C(C1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 1326658 VIHFWQHFVBMDQF-UHFFFAOYSA-N 311.429 3.849 0 40 DHAB CCCCC/C(=C/c1ccccc1)[C@@H]1OC[C@H](COC(C)=O)O1 1677860 DIVBJTJVOFKRKN-BAHTZTCJSA-N 318.413 3.955 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C 3999252 ARHZHRUTGKCDRK-SBCNTATESA-N 315.457 3.651 0 40 DHAB biogenic O=C(c1ccc(F)cc1)N1CCN=C1SCc1ccccc1 4119808 FCPOGDRJHDLQRY-UHFFFAOYSA-N 314.385 3.571 0 40 DHAB Cc1ccccc1CNC(=O)c1ccccc1Br 5089798 LLKRNXKVJMKNPI-UHFFFAOYSA-N 304.187 3.688 0 40 DHAB CSc1ccc(-c2nnc(NC(=O)c3ccccc3)o2)cc1 5240327 PLRGFIZGWPPTIA-UHFFFAOYSA-N 311.366 3.711 0 40 DHAB CC(=O)Nc1ncc2c(n1)-c1ccccc1O[C@@H]2c1ccccc1 5839214 FFLDHULLIYWEEX-GOSISDBHSA-N 317.348 3.584 0 40 DHAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccc(C)cc2[nH]1 6016534 GLKQSVMJVSOCCQ-ZDUSSCGKSA-N 317.458 3.755 0 40 DHAB CN(C)CC[C@@](O)(Cc1ccccc1)c1cccc(Cl)c1 6437073 BZKMSZINPAIIIA-GOSISDBHSA-N 303.833 3.722 0 40 DHAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Cl)cc1F 6510597 XTLIOQVSALKJPQ-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB O=C(CSC1=Nc2ccccc2CS1)NC1CCCC1 6588122 SWNAGUSJOANJKZ-UHFFFAOYSA-N 306.456 3.713 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1nc(-c2ccccn2)cs1 6969826 KZGZNQSLLDHBFV-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccs2)cc1 7375790 PUPNJSSNPJOWRE-OLZOCXBDSA-N 302.443 3.988 0 40 DHAB CCCc1n[nH]c(=S)n1NCc1ccc(Cl)cc1Cl 7601296 OTZWLXQNECQXFG-UHFFFAOYSA-N 317.245 3.944 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 8041283 LDEATQHKFAHJHI-XJKSGUPXSA-N 301.361 3.861 0 40 DHAB Cc1ccc(NC(=O)NCCCn2cnc3ccccc32)cc1 9117895 WURVKVNEKHTPDZ-UHFFFAOYSA-N 308.385 3.557 0 40 DHAB CCn1c(=O)n(Cc2c(F)cccc2Cl)c2ccccc21 10236611 SZZIOBQBGNWEHO-UHFFFAOYSA-N 304.752 3.664 0 40 DHAB CCCCOc1ccc(-c2nonc2NC(=O)C(C)C)cc1 11914174 VDMNWOMHUJDNDZ-UHFFFAOYSA-N 303.362 3.510 0 40 DHAB C[C@@H](NC(=O)CSc1nncc2ccccc12)c1ccccc1 12138999 BIFCKOIMDPKMKF-CYBMUJFWSA-N 323.421 3.599 0 40 DHAB Cc1cc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)on1 12422442 BLPNCRGBTQDBMK-UHFFFAOYSA-N 307.762 3.807 0 40 DHAB FC(F)(F)c1nc(NCc2ccncc2)c2ccccc2n1 12632873 GVSJDVGWZLXRAN-UHFFFAOYSA-N 304.275 3.656 0 40 DHAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1 12849449 DVPJKCSLNVJDNB-UHFFFAOYSA-N 314.772 3.941 0 40 DHAB COC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 12919005 GRSOSORRIJURJF-UHFFFAOYSA-N 309.365 3.534 0 40 DHAB Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1F 12926384 ZYFPMKFEHMZWJH-OAHLLOKOSA-N 305.736 3.730 0 40 DHAB O=C(/C=C/c1cccc(F)c1)NCc1ccc(OC(F)F)cc1 13010293 BMUHTEMFTNKNMN-RMKNXTFCSA-N 321.298 3.757 0 40 DHAB Cc1cc(C)cc(OCC(=O)NCCSC2CCCCC2)c1 14399668 WGJYRRFAUGNBMY-UHFFFAOYSA-N 321.486 3.864 0 40 DHAB Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)o1 14910173 UUUPLFNXEJZOTP-UHFFFAOYSA-N 309.369 3.916 0 40 DHAB Cc1cc(NC(=O)CCc2ccco2)ccc1Br 15008837 BOOCTILHVLORAX-UHFFFAOYSA-N 308.175 3.922 0 40 DHAB COc1ccc(NC2=NC(=O)/C(=C\c3ccsc3)S2)cc1 16440273 MLCLUILZUNFAPF-MDWZMJQESA-N 316.407 3.839 0 40 DHAB Cc1cccc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1C 20402725 UFGHBEBZFFVQJF-LBPRGKRZSA-N 303.431 3.816 0 40 DHAB Cc1ccc(CNC2CCN(Cc3ccccc3)CC2)s1 20477321 UXKOOHSBYAUXEY-UHFFFAOYSA-N 300.471 3.811 0 40 DHAB Cc1ccccc1CC(=O)Nc1nc2c(s1)C[C@H](C)CC2 20502919 LRBVIUYQELHABM-LLVKDONJSA-N 300.427 3.758 0 40 DHAB O=C(CCc1ccccc1O)N1CCC(Cc2ccccc2)CC1 21895154 IOTFZKDDVIJPNU-UHFFFAOYSA-N 323.436 3.806 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(F)c(F)c1 24093777 AWJDJVNWWVQLKW-GOSISDBHSA-N 324.330 3.879 0 40 DHAB COc1ccc(NC(=O)Cc2coc3ccc(OC)cc23)cc1 39882395 OTUIFVFUJVMLDL-UHFFFAOYSA-N 311.337 3.631 0 40 DHAB O=C(NCC1CC1)Nc1ccc(Br)cc1Cl 40103529 OTZJLVZBXLQPBH-UHFFFAOYSA-N 303.587 3.634 0 40 DHAB COc1ccc(N[C@@H](C)c2nc(C(C)(C)C)no2)c(OC)c1 40494023 RNHQWQDGCRKAMX-JTQLQIEISA-N 305.378 3.557 0 40 DHAB O=C(c1ccccc1)N(Cc1ccsc1)Cc1ccccn1 44445928 OYGGUROQQUKTPR-UHFFFAOYSA-N 308.406 3.986 0 40 DHAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2OC)cc1 44902972 PREILGGUQUFIKM-JWAFFJSPSA-N 311.381 3.594 0 40 DHAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2)c1 46664563 FYSSDTKMOQZXNJ-OAHLLOKOSA-N 313.397 3.558 0 40 DHAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1ccsc1 48355899 FAABAIREPQWXPS-WFASDCNBSA-N 304.415 3.819 0 40 DHAB Cc1nc(C)c([C@H](C)NC(=O)N(C)Cc2cccs2)s1 48688796 HXJIAAALIHXMKL-JTQLQIEISA-N 309.460 3.724 0 40 DHAB O=C(CCCn1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 49470783 AZWMYIVASJPLGI-KRWDZBQOSA-N 322.412 3.508 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 51354135 QYBVSLNNYKIOME-UHFFFAOYSA-N 300.358 3.965 0 40 DHAB CCOCc1ccccc1NC(=O)C1=NO[C@H](c2ccccc2)C1 55340293 OXAWQPOUASFRLE-SFHVURJKSA-N 324.380 3.679 0 40 DHAB Cc1ccccc1C1(CNC(=O)C2CCCCC2)CCOCC1 55760543 IKZQAPYDVUPHKS-UHFFFAOYSA-N 315.457 3.740 0 40 DHAB Cc1c(Cl)cccc1S(=O)(=O)N(C)c1ccccc1F 58161701 KTZMAJMENSRAJC-UHFFFAOYSA-N 313.781 3.613 0 40 DHAB Cc1cnn(CC2CC2)c1NC(=O)c1cccc(C(F)(F)F)c1 58419355 BBCATMKCWPTIPO-UHFFFAOYSA-N 323.318 3.873 0 40 DHAB COc1ccccc1NC(=S)N1CCC(n2cccc2)CC1 58468386 FWYFPODUEIFAOS-UHFFFAOYSA-N 315.442 3.531 0 40 DHAB CC(C)(C)c1nc(CCNc2cccc(Br)c2)n[nH]1 62719158 JAWWTEZQZITOLD-UHFFFAOYSA-N 323.238 3.519 0 40 DHAB C[C@@H](NC(=O)N(Cc1ccccc1F)C1CC1)c1ccncc1 69774394 ZCOONMYTJZWKOS-CYBMUJFWSA-N 313.376 3.656 0 40 DHAB CCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCNC2)n1 72209136 SKBFVTXCVJYQJB-NSHDSACASA-N 321.808 3.646 0 40 DHAB Cc1cccc(C(=O)Nc2cc(N(C)C)c(N)cc2Cl)c1 72229044 FLEDDZUHDWRHBO-UHFFFAOYSA-N 303.793 3.549 0 40 DHAB C[C@@H](c1ccco1)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 72543115 RDNAXMIJYURQLX-AWEZNQCLSA-N 324.384 3.749 0 40 DHAB O=S(=O)(Nc1ccc2cc[nH]c2c1)c1cccc(Cl)c1 74842560 WTYUSYBRUYMLSL-UHFFFAOYSA-N 306.774 3.622 0 40 DHAB Cc1ccccc1CN1CC(c2nc(Cc3ccccc3)no2)C1 75156419 MLAALAJKRSRABT-UHFFFAOYSA-N 319.408 3.568 0 40 DHAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)[C@@H]2CCOC2)n1 76042944 LXLIMBIIUUGIEF-CHWSQXEVSA-N 322.474 3.531 0 40 DHAB C[C@H](Cc1nc2ccccc2s1)N(C)Cc1nccs1 79327827 ZCGDPYYHWPDHJG-LLVKDONJSA-N 303.456 3.816 0 40 DHAB CCn1c(C(=O)N(C)OCc2ccccc2)cc2ccccc21 83840104 YITLDUSUPGKYOB-UHFFFAOYSA-N 308.381 3.865 0 40 DHAB O=C(Nc1cccc(-c2nccs2)c1)[C@@H]1Cc2ccccc2O1 84581751 WIXGUANZMHXIEJ-INIZCTEOSA-N 322.389 3.752 0 40 DHAB O=C(Nc1cccc(-n2cccc2)c1)c1ccc(NC2CC2)nc1 84606500 MDJSZKLTRQZCPE-UHFFFAOYSA-N 318.380 3.699 0 40 DHAB CCO[C@H](C)c1nccn1Cc1cc(-c2cccs2)on1 89521404 YJDXEMCQLQNKSF-LLVKDONJSA-N 303.387 3.745 0 40 DHAB C[C@@H](C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)C1CC1 90733616 KRQPCZKCAZIODC-ZDUSSCGKSA-N 319.401 3.518 0 40 DHAB O[C@@H](C[C@@H]1CCCCCN1Cc1cccnc1)c1ccco1 95413240 XCEGMYDVNHNARH-IRXDYDNUSA-N 300.402 3.543 0 40 DHAB Cn1nc(-c2cccs2)cc1C(=O)Nc1cccc2[nH]ccc12 95472453 LQVVBUFMKLLGPU-UHFFFAOYSA-N 322.393 3.882 0 40 DHAB CCOC(=O)[C@H]1CCCc2sc(-c3cccc(F)c3)nc21 96003827 RLBFLUXTHVNILX-LBPRGKRZSA-N 305.374 3.932 0 40 DHAB Cc1sc(Cl)nc1C(=O)NCCSc1ccccc1 96223010 KMVXSRZRUXSJPS-UHFFFAOYSA-N 312.847 3.627 0 40 DHAB CCc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 96659265 VTBOSBGCWURAIZ-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1Cl 96726550 URRKQPFIZXXPAN-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB CC(C)c1nc([C@@H](C)NC2CCN(CC(F)F)CC2)cs1 97033769 QTPRWRVHEOCYGA-LLVKDONJSA-N 317.449 3.647 0 40 DHAB CC(C)c1ccc(CCN[C@@H](C)c2nnc3n2CCCC3)cc1 97162463 AAAHFLOYYZUAFV-HNNXBMFYSA-N 312.461 3.631 0 40 DHAB CC1(C)O[C@]2(C)CC[C@@H]1[C@@H]1[C@@H]2N1C(=O)Nc1cccc(Cl)c1 101152101 MZELXWCWVZYPER-PSKIGKFPSA-N 320.820 3.902 0 40 DHAB COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)C(C)C 191765459 BFBBZCTZYIHLJC-LLVKDONJSA-N 314.813 3.626 0 40 DHAB COc1cc(SC)ccc1NC(=O)CCc1c(C)noc1C 192704257 MNEILXJIQROUSD-UHFFFAOYSA-N 320.414 3.593 0 40 DHAB CCCOCc1cc(C(=O)NC2CCCC2)ccc1OCC 224702821 XPWZZKMPTNVQSF-UHFFFAOYSA-N 305.418 3.684 0 40 DHAB C[C@H](C[C@H](O)c1ccco1)N[C@H]1CCCNc2ccccc21 225575539 UTOWXQLRNWTZFN-COXVUDFISA-N 300.402 3.628 0 40 DHAB CCOc1cc(-c2cc(-c3cccc(O)c3)nn2C)ccc1O 257291807 QIRHFDSOSMXAMM-UHFFFAOYSA-N 310.353 3.564 0 40 DHAB CC(=O)N[C@@H]1C[C@H](c2cccc(Cl)c2)O[C@@H]2CCCC[C@@H]12 257334852 YHQFWJMTCXQTER-YLFCFFPRSA-N 307.821 3.865 0 40 DHAB COc1cc(N[C@@H]2C[C@@H](N)c3ccccc32)c(OC)cc1Cl 261827979 BCZHMIZHXUJLRX-ZIAGYGMSSA-N 318.804 3.914 0 40 DHAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1 408526757 AWIMZCKMBLEYMV-UHFFFAOYSA-N 312.275 3.641 0 40 DHAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1F 409178131 IVWZVIMYXINDLW-UHFFFAOYSA-N 318.373 3.515 0 40 DHAB O=C(Cc1ccccc1Cl)NCC1(c2ccsc2)CC1 1888921924 XOTKHFDPVSVLGJ-UHFFFAOYSA-N 305.830 3.792 0 40 DHAB Cc1ccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1 138010 BPJRORCPIKCBCW-UHFFFAOYSA-N 318.804 3.559 0 40 DHAB CC1(C)Cc2nc3sc4c(Cl)ncnc4c3cc2CO1 331056 HXEPUFUKMJNZOX-UHFFFAOYSA-N 305.790 3.744 0 40 DHAB O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1 338374 LZMYTXMTFJGQJA-UHFFFAOYSA-N 309.394 3.576 0 40 DHAB in-vivo COc1ccc(NC(=O)CCCc2ccc(OC)cc2C)cc1 565890 PGIWHDCTURBGLE-UHFFFAOYSA-N 313.397 3.974 0 40 DHAB O=C(Nc1cccc(Cl)c1)n1oc(=O)cc1-c1ccccc1 1405308 QXTWPMDJOPPRCL-UHFFFAOYSA-N 314.728 3.842 0 40 DHAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cc1OC 3202922 XNVRPTPTYPCUAB-CFRMROPGSA-N 323.392 3.695 0 40 DHAB COc1ccc2oc(C(=O)N3CCc4ccccc43)c(C)c2c1 3517076 QIRYIUJJNOZAFG-UHFFFAOYSA-N 307.349 3.953 0 40 DHAB Cc1nn(Cc2ccccc2)c(=O)n1-c1ccc(C(C)C)cc1 4072987 HUDNHCJVVJSZCO-UHFFFAOYSA-N 307.397 3.514 0 40 DHAB O=C(Nc1ccsc1C(=O)O)c1cccc(C(F)(F)F)c1 4104990 JEUMRMUFUGPDLG-UHFFFAOYSA-N 315.272 3.717 0 40 DHAB Cc1nc(SCC(=O)c2cccs2)c2ccccc2n1 4241559 ZKJCMVCIFXSXQK-UHFFFAOYSA-N 300.408 3.975 0 40 DHAB C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C 4363110 CHNXZKVNWQUJIB-SSFAQJFESA-N 312.453 3.883 0 40 DHAB Cc1ccc(N2C(=O)S[C@H](Nc3ccccc3F)C2=O)cc1 5234438 SLKCMBFQUWWHOZ-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB C[C@@]12CCCC[C@@]13NC(=O)c1ccccc1CN3c1ccccc12 5394047 GSSNBIWIBKOZMJ-SFTDATJTSA-N 318.420 3.978 0 40 DHAB COc1ccc(OCCCC(=O)Nc2ccc(C)c(F)c2)cc1 5702056 PHRPKKGWSFJSOJ-UHFFFAOYSA-N 317.360 3.940 0 40 DHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 6328631 NYNHZOFZAMITQY-VXGBXAGGSA-N 314.168 3.599 0 40 DHAB Cc1ccccc1-c1nc(O)c2c(n1)Oc1ccc(F)cc1C2 6748527 OMPQBLKXLMAMJE-UHFFFAOYSA-N 308.312 3.993 0 40 DHAB CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)O)cc1 7885547 RVNULUDMUBBQFC-PXAZEXFGSA-N 324.380 3.750 0 40 DHAB CCC(=O)Nc1sc2c(c1C(=O)O)CC[C@H](C(C)(C)C)C2 8731399 DBZLBDYCJCGHER-VIFPVBQESA-N 309.431 3.946 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 10286893 SHGBZTRDJQUDKE-GFCCVEGCSA-N 310.319 3.511 0 40 DHAB Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 11207212 UCCWNZXKRFBFFW-FQEVSTJZSA-N 309.409 3.950 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)Cc1ccc(Cl)c(Cl)c1 11374261 JUCLLEQVMGJNLS-XDJHFCHBSA-N 323.223 3.987 0 40 DHAB CCCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 11614126 WOYWCXQMDDAVEC-UHFFFAOYSA-N 321.442 3.705 0 40 DHAB CCc1c(C)nn(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1C 12138165 HYKGGUWVAKMBNC-OAHLLOKOSA-N 300.402 3.787 0 40 DHAB COc1cccc(NC(=O)Cc2cc(-c3ccccc3)on2)c1 12422129 FOSSDDZPNCYCLL-UHFFFAOYSA-N 308.337 3.531 0 40 DHAB COc1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)cc1F 12762226 IRTXCPLRXDEWMV-UHFFFAOYSA-N 312.344 3.588 0 40 DHAB Cc1sc2nc(-c3cccs3)nc(NCCCO)c2c1C 12814488 RFZBEHQBBKKQDK-UHFFFAOYSA-N 319.455 3.831 0 40 DHAB c1csc(-c2cnc(NC3CC3)nc2-c2nccs2)c1 13266528 MTFOAWNUJLICIX-UHFFFAOYSA-N 300.412 3.903 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CN[C@@H](C)c3ccccc3)cc2c1 13998767 MFECMHKVFXZMHB-AWEZNQCLSA-N 322.408 3.778 0 40 DHAB COc1ccc(Br)cc1C(=O)Nc1ccccc1 14784322 RGXLZUOJOVUHAT-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB Nc1cc(Cl)c(Cl)cc1N1N=C(c2ccccc2)CC1=O 16478010 HSEQRYUUJWOPMW-UHFFFAOYSA-N 320.179 3.717 0 40 DHAB Cc1ncc(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19287292 GPJVPSKSFOPVDH-MUGJNUQGSA-N 307.441 3.847 0 40 DHAB Fc1ccccc1Cn1c([C@H]2CCCNC2)cc2cccnc21 19349745 SBLXMHSRLFUKBD-HNNXBMFYSA-N 309.388 3.691 0 40 DHAB CC1(C)CC(NC(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1 24239974 DRJKBDBUFIKCTO-UHFFFAOYSA-N 309.841 3.771 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)s1 32776612 KWKIEVJCPHNAJT-OAHLLOKOSA-N 317.410 3.867 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3sccc3C2)o1 32883753 DDMJDDLSYJAUHP-WFASDCNBSA-N 315.438 3.982 0 40 DHAB COC(=O)c1c(C=O)c2ccc(C)cc2n1Cc1ccccc1 32917057 GXFMPKDCWMUJTO-UHFFFAOYSA-N 307.349 3.597 0 40 DHAB CCCCN1C(=O)S/C(=C/c2ccc(O)c(OCC)c2)C1=O 35042206 IECSUVZFOJGRHM-GXDHUFHOSA-N 321.398 3.627 0 40 DHAB Cc1ccc(N[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c(C)c1 36635471 IIAKMXRXYISTGM-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CCOc1ccc([C@H]2OC(c3ccc(C)cc3)=NN2C(C)=O)cc1 41097591 BGZXRUVYMDJIBO-LJQANCHMSA-N 324.380 3.633 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cccnc1 45033071 XFOMPOPNYPKNSQ-GFCCVEGCSA-N 303.793 3.638 0 40 DHAB CCCCc1noc([C@@H]2CCCCN2C(=O)C2CCCC2)n1 46087216 LMUQOTVTRIVHDZ-AWEZNQCLSA-N 305.422 3.656 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)c1 47375369 ZPQLEDZKPBBVIZ-UHFFFAOYSA-N 311.385 3.777 0 40 DHAB CC(C)OCc1ccc(CNC(=O)c2ccccc2F)cc1 48354919 GSVPINGNQXWXDU-UHFFFAOYSA-N 301.361 3.681 0 40 DHAB C[C@@H](SC[C@H](O)c1ccccc1)C(=O)Nc1cccc(F)c1 58342116 STWGFTSTDPDYIK-WBMJQRKESA-N 319.401 3.620 0 40 DHAB FC(F)(F)c1ccn(Cc2csc(Cc3ccccc3)n2)n1 65948251 STTZMVQBQVTROY-UHFFFAOYSA-N 323.343 3.998 0 40 DHAB CC(C)c1ccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 69390566 FRWQCWYPEJPQIT-UHFFFAOYSA-N 314.429 3.907 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(N)c1 70462880 NGHFHYHGACXFDA-UHFFFAOYSA-N 312.413 3.892 0 40 DHAB Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccoc2)c1 71846969 ZFCJIEQSCLWYIH-UHFFFAOYSA-N 306.365 3.826 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)c1cccc(OC2CCCC2)c1 71889019 IRUCQMSQFTUZNX-OAHLLOKOSA-N 317.429 3.507 0 40 DHAB CC(=O)N1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214353 RAQRUUFGSGALCL-AWEZNQCLSA-N 319.405 3.502 0 40 DHAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3C)[nH]n2)cc1C 72238536 UGSWJCXFJYWATM-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB C[C@@H](C1CC1)N(C(=O)N[C@H]1CCCOc2ccccc21)C1CC1 73976636 BQDIKYNXBDVVGG-GUYCJALGSA-N 314.429 3.873 0 40 DHAB Cc1cc(C)n2c(CN[C@@H](C)c3cccc(Cl)c3)cnc2n1 78998791 VWECVNIRQXOJJD-ZDUSSCGKSA-N 314.820 3.850 0 40 DHAB CCOc1ccc(CN2CCCC[C@H]2c2ncc[nH]2)cc1OC 92729926 IIBYNMAVASCSMM-HNNXBMFYSA-N 315.417 3.544 0 40 DHAB c1cc(NCc2cccc3[nH]ccc23)cc(N2CCOCC2)c1 95428577 QKLRJHKZGNNBLV-UHFFFAOYSA-N 307.397 3.617 0 40 DHAB COc1ccccc1OCc1ccccc1NCc1cnn(C)c1 95428685 DCXBWJBTPBOQMA-UHFFFAOYSA-N 323.396 3.620 0 40 DHAB CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc(C)c(C)c2)c1 95463195 CAQVEEDUQHCSHG-OALUTQOASA-N 309.409 3.988 0 40 DHAB CCN(C)CCN(CC)c1ccc(Br)cc1Cl 95915841 AIIJTSCXZAQNTO-UHFFFAOYSA-N 319.674 3.881 0 40 DHAB CCN(CCO)[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 95934894 KFDOEMHLULHRKQ-KRWDZBQOSA-N 317.816 3.578 0 40 DHAB COc1ccccc1-c1nnc(CN[C@@H]2CCCCC2(C)C)o1 97099913 MLPHRDIDRQXACK-OAHLLOKOSA-N 315.417 3.804 0 40 DHAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1ccsc1 97147341 YMDHKGVRQXSIFZ-NSHDSACASA-N 320.462 3.568 0 40 DHAB O[C@@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1Cl)NCC2 216013621 INWMRQARFUAODH-AEGPPILISA-N 300.229 3.949 0 40 DHAB biogenic Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(F)c(Cl)c1 222564486 FMJVZJCKGGMYMM-UHFFFAOYSA-N 305.740 3.707 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)cc1 223123948 YJIBQNHMQJZJJI-INIZCTEOSA-N 311.425 3.900 0 40 DHAB Cc1ccccc1[C@@H](NC(=O)c1cccnc1)c1ccccc1 225429514 LCGZDTQXCDFOKC-IBGZPJMESA-N 302.377 3.909 0 40 DHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)nc1C 225904634 ZRZKIVRJRKEDOB-KRWDZBQOSA-N 308.422 3.569 0 40 DHAB Cc1nccc([C@@H]2CCCN2C(=O)c2ccc(F)c(Cl)c2)n1 257212468 CDNYXBRVYUDHHA-HNNXBMFYSA-N 319.767 3.555 0 40 DHAB COc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 260659318 XHJOZHKUHNWZAN-OUJBWJOFSA-N 310.850 3.824 0 40 DHAB Cc1nnsc1C(=O)NCc1cc(-c2ccsc2)cs1 1775969751 JLHKLPNGKHAQFM-UHFFFAOYSA-N 321.452 3.567 0 40 DHAB CSc1ncccc1C(=O)N1CC2(CC(c3ccccc3)C2)C1 1889146261 VEIJDYGRYNGAID-UHFFFAOYSA-N 324.449 3.823 0 40 DHAB CC(C)[C@@H]1COC([C@@H]2CCCC[C@H]2C2=N[C@H](C(C)C)CO2)=N1 1988187955 AGUOBJZLHSYLBL-WCVJEAGWSA-N 306.450 3.699 0 40 DHAB CCc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 177089 JRCAKIFIOFBQJN-UHFFFAOYSA-N 323.348 3.616 0 40 DHAB O=C(O)c1nn(-c2ccccc2)c2c1CSc1ccccc1-2 1572561 KGCPHZNGYDYXTL-UHFFFAOYSA-N 308.362 3.843 0 40 DHAB O=C(O)/C=C/c1cccc(Nc2cc(=O)oc3ccccc23)c1 2109862 ZWUJJKCQMSDQRB-CMDGGOBGSA-N 307.305 3.634 0 40 DHAB biogenic Cc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1 2739626 KJGUNRCZDDPRTA-UHFFFAOYSA-N 323.318 3.726 0 40 DHAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 3446303 YNIXMOFZBJTAHV-CQSZACIVSA-N 303.427 3.679 0 40 DHAB CCc1ccccc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O 4651523 QPNIHUYGLPWINJ-GJZGRUSLSA-N 301.386 3.635 0 40 DHAB COC(=O)c1ccccc1NC(=S)Nc1cccc(C)c1 5571228 MFBNNMGETWZHEZ-UHFFFAOYSA-N 300.383 3.591 0 40 DHAB Cn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 5687073 ANKXEPGUWATASL-QMMMGPOBSA-N 308.472 3.809 0 40 DHAB O=c1c(Oc2ccc(Cl)cc2)coc2cc(O)cc(O)c12 5997057 XWCXCTNOYINZHG-UHFFFAOYSA-N 304.685 3.650 0 40 DHAB biogenic COc1cc(C(=O)OCc2cc(-c3ccco3)on2)ccc1C 7166477 IMLGYWDTHPWUSW-UHFFFAOYSA-N 313.309 3.609 0 40 DHAB COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCC[C@H]1C 7984370 UZGYTWUPCGXNQM-ILXRZTDVSA-N 304.434 3.581 0 40 DHAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccccc2)cc1 8392319 RTLJNULZYFDUFB-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB Cc1nc(CSCC(=O)Nc2ccc(Cl)cc2)cs1 9040148 RWHYWFIPEAHWSC-UHFFFAOYSA-N 312.847 3.977 0 40 DHAB CSc1ccccc1NC(=O)COc1ccc(C(C)=O)cc1 9112773 JOZFQWUCNGCHDA-UHFFFAOYSA-N 315.394 3.629 0 40 DHAB CC(C)[C@H](NC(=O)Cn1cnc2ccccc21)c1cccs1 10519800 LCFBXVXTANUJGX-KRWDZBQOSA-N 313.426 3.611 0 40 DHAB Cc1ccc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)o1 12116076 NYPTVRSUPWCXRY-KRWDZBQOSA-N 323.396 3.761 0 40 DHAB CCc1cc(C(=O)Nc2ccc(OC)cc2OC)sc1C 13009684 MBSWKSXXVHCSIH-UHFFFAOYSA-N 305.399 3.888 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)c1cccc(Cl)c1 13672675 CENAUFREANMIOP-INIZCTEOSA-N 308.853 3.724 0 40 DHAB Cc1ccc(CNCc2cccc(Oc3ncccn3)c2)cc1 13731660 DKNDXBAONQMEDD-UHFFFAOYSA-N 305.381 3.867 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(F)cc2F)c1C 14120872 KZMVSXQAEDVHAR-SECBINFHSA-N 320.339 3.603 0 40 DHAB O=C(Cc1c(F)cccc1Cl)NCCSc1ccccc1 14185310 PFTWBWJZHGCXGL-UHFFFAOYSA-N 323.820 3.930 0 40 DHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2Cl)c1C 14861235 PICVQWULWKUBFI-UHFFFAOYSA-N 320.776 3.632 0 40 DHAB C[C@@H](c1ccccc1)N(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 16695616 YWJIWBAFVQFGHK-KBPBESRZSA-N 307.397 3.677 0 40 DHAB C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1 19362655 GUDVQJXODNJRIJ-IAGOWNOFSA-N 321.468 3.867 0 40 DHAB biogenic,in-vitro O=C(c1ccccc1)N1CCC(c2cc3ncccc3[nH]2)CC1 19368688 UVIYSSYZNVVYPA-UHFFFAOYSA-N 305.381 3.583 0 40 DHAB O=C1Oc2nc3ccccc3cc2CN1CCc1ccccc1 19371355 AASXUOFIKWBAIQ-UHFFFAOYSA-N 304.349 3.792 0 40 DHAB O=C(c1ccccn1)N1CCC[C@H](c2cc3ccccc3cn2)C1 19399694 RSTKVURCGBWVLV-KRWDZBQOSA-N 317.392 3.650 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 19931346 NQOSHHNPHKDNMJ-BLXFFLACSA-N 311.381 3.594 0 40 DHAB COC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 20096521 GLMCQTRBYMGGFD-UHFFFAOYSA-N 323.392 3.924 0 40 DHAB CCCCCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 20609866 JRZPFZPFKQCMGL-UHFFFAOYSA-N 308.385 3.939 0 40 DHAB Nc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Cl)c1 22000290 DUQYSTOFYBWCDV-SSDOTTSWSA-N 309.593 3.726 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1Cl 24874623 VKCVTTZHQGVDTG-UHFFFAOYSA-N 301.773 3.942 0 40 DHAB O=C(NCc1ccccc1F)c1sccc1-n1cccc1 25153668 AWDFOGFSJLADPS-UHFFFAOYSA-N 300.358 3.608 0 40 DHAB CCOC(=O)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1 25777307 MCHAJLYOGQQAAM-IBGZPJMESA-N 322.408 3.604 0 40 DHAB CC(=O)Nc1ccc(N[C@@H](C)c2nc(C(C)C)no2)cc1C 26994476 CRIQWMRTVQAQDL-NSHDSACASA-N 302.378 3.633 0 40 DHAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1cccc(Br)c1 30466444 MOKIMKJGJUFKEU-NEPJUHHUSA-N 308.219 3.983 0 40 DHAB CCCOc1c(Cl)cc(C(=O)N2CCCC2)cc1OCC 33718019 VPLCVPVEUXQNIK-UHFFFAOYSA-N 311.809 3.764 0 40 DHAB Fc1ccccc1CCNCc1cc(Cl)c2c(c1)OCO2 37301173 HBBKYLJTTKIGOZ-UHFFFAOYSA-N 307.752 3.540 0 40 DHAB O=C(Nc1cccc2ccccc12)c1c[nH]c2ccccc2c1=O 40176870 UQNLIGRDBMYSGB-UHFFFAOYSA-N 314.344 3.934 0 40 DHAB CCOc1ccccc1CCCNC(=O)Cc1ccc(C)cc1 44840737 XKTMWSPPBMOADP-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB COCc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2[nH]1 44900845 SYPJAADOGMRIDA-UHFFFAOYSA-N 315.760 3.615 0 40 DHAB CCCC(=O)Nc1cccc(NCc2nc(C(C)C)no2)c1C 58440224 BNXJEXKOTSNUTI-UHFFFAOYSA-N 316.405 3.852 0 40 DHAB CCOc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1 60573109 BWOUWDJQKMATPF-UHFFFAOYSA-N 318.756 3.778 0 40 DHAB CC(C)(C)OC(=O)NCC1CCN(CC2CCCCC2)CC1 67801191 ZTJRNAODRJKQCV-UHFFFAOYSA-N 310.482 3.803 0 40 DHAB O=C(CCN1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1Cl 69489806 ZCDOTDFLIKKUMY-MRXNPFEDSA-N 317.820 3.834 0 40 DHAB Cc1cc(OC(C)C)ccc1NC(=O)NC1CCSCC1 69809431 ZGUDVBSAKJGCQN-UHFFFAOYSA-N 308.447 3.799 0 40 DHAB Cc1cnn([C@@H](C)[C@H](C)NCc2coc(-c3cccs3)n2)c1 69814994 ANOQGVUQBXHHJQ-STQMWFEESA-N 316.430 3.647 0 40 DHAB CN(C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72212684 VBMZHBURMXNOFS-CQSZACIVSA-N 305.422 3.610 0 40 DHAB COc1ccc(C(=O)NCc2ccc(C(C)C)cc2)c(OC)c1 72331523 LHDSZMJLEDSBAI-UHFFFAOYSA-N 313.397 3.757 0 40 DHAB CC1CCC(Oc2cc(CNC(=O)C3CC=CC3)ccn2)CC1 77996277 KCGMKRCTIDKJOM-UHFFFAOYSA-N 314.429 3.622 0 40 DHAB CCc1nc(N)sc1-c1nc(-c2cc(C)ccc2C)no1 89263120 NIFLBETWHGLNOF-UHFFFAOYSA-N 300.387 3.622 0 40 DHAB CC[C@H]1CCCCCN1C(=O)c1ccnc(OC2CCC2)c1 90053201 RMOVTVAYUHOCHU-HNNXBMFYSA-N 302.418 3.808 0 40 DHAB O=C(NCC1(O)CCCCCC1)c1ccccc1C(F)(F)F 96411763 AQBSQMCQQQGXCL-UHFFFAOYSA-N 315.335 3.521 0 40 DHAB CCCc1ncc(C(=O)Nc2ccnn2[C@H](C)C2CC2)s1 96424988 VJIVJPZRKRFXPQ-SNVBAGLBSA-N 304.419 3.515 0 40 DHAB CC[C@H](c1ccc(F)cc1F)[S@@](=O)Cc1nc(C)c(C)o1 97083628 JETVRKNUSUADIL-SPLOXXLWSA-N 313.369 3.970 0 40 DHAB COc1ccc(C2=C[C@H](c3ccc(C)cc3)n3ncnc3N2)cc1 100628726 JCECMNGPNHNLEM-GOSISDBHSA-N 318.380 3.651 0 40 DHAB Cc1ccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1 105921697 POSGONVNBWHLLT-JYJNAYRXSA-N 315.413 3.611 0 40 DHAB COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1OC 188235948 RBUXFYREYBPMTC-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB COc1ccc(C(=O)NC2CCCC2)cc1COCC(C)C 224445503 GTSFFYGKXCCBAB-UHFFFAOYSA-N 305.418 3.540 0 40 DHAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2s1 585319666 LLPPXNPJLBDLHB-PBWFPOADSA-N 301.411 3.683 0 40 DHAB Fc1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 221837 JCBBNHRCHPMKOX-OLZOCXBDSA-N 300.362 3.625 0 40 DHAB CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(F)cc1 227444 UQCSNRZGLDSOBU-UHFFFAOYSA-N 307.346 3.625 0 40 DHAB O=Cc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2ccccc12 254472 NNRBVQJKRJDMOR-UHFFFAOYSA-N 313.740 3.854 0 40 DHAB CCc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)cc1 527131 YWICXDCTIYFNJX-IAGOWNOFSA-N 319.412 3.569 0 40 DHAB C[C@@H](OC(=O)c1ccc2ccccc2c1O)C(=O)c1ccccc1 566934 PHEVCUJHFYHMKR-CYBMUJFWSA-N 320.344 3.974 0 40 DHAB O=C(c1ccc(O)cc1)c1cccc(C(=O)c2ccc(O)cc2)c1 1577614 HVYBCWHAJRYTCH-UHFFFAOYSA-N 318.328 3.560 0 40 DHAB COc1cc2c(c3oc(=O)c4c(c13)CCCC4)C=CC(C)(C)O2 2130661 VGGLCTPTTMYPOH-UHFFFAOYSA-N 312.365 3.865 0 40 DHAB biogenic CC(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 3417754 VCKDWVIOCZQTOI-UHFFFAOYSA-N 321.735 3.699 0 40 DHAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(C)O 4416458 SLGYIGUMKJYZLP-PVIBPHBRSA-N 318.457 3.528 0 40 DHAB Brc1ccc(NCc2nnc(-c3ccco3)o2)cc1 5298015 MIPJBNFIZDFXGM-UHFFFAOYSA-N 320.146 3.704 0 40 DHAB C[C@H]1CCCCN1Cc1csc(-c2ccc3c(c2)OCO3)n1 6008003 YMZSVKVMWNOVCN-LBPRGKRZSA-N 316.426 3.913 0 40 DHAB COc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1Cl 6639465 FSPFTDTVPHSDKT-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2c(c1)CCC2 8132029 KJWSMVBWMHLOAU-UHFFFAOYSA-N 323.392 3.568 0 40 DHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccoc2C)CC1 8720711 XBBASPAZGFHTEM-UHFFFAOYSA-N 318.804 3.512 0 40 DHAB CCc1ccc(-c2csc(NC(=O)CSC(C)=O)n2)cc1 9320353 YZCVQDNTKFEUFB-UHFFFAOYSA-N 320.439 3.591 0 40 DHAB Cc1cnc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)s1 9341267 XPBSAOBWKWVJIU-UHFFFAOYSA-N 316.426 3.736 0 40 DHAB Cc1occc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 9483886 YNDZRWDQGVCPKU-UHFFFAOYSA-N 312.369 3.513 0 40 DHAB Cc1cccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1C 10900899 SQUWXLCFQPKPHJ-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 11916744 KLTHWSQYUKWYPA-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB c1ccc2c(c1)N[C@H](c1cccc3cccnc13)N1CCCN=C21 12144188 BVEKBIFVUXRGMC-FQEVSTJZSA-N 314.392 3.811 0 40 DHAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)C)cc12 12685684 BJISFXSAWRVOCI-UHFFFAOYSA-N 319.817 3.751 0 40 DHAB O=C(O)c1cccc(NC(=O)c2ccccc2SC(F)F)c1 13094855 UAQYSZOBZADHFX-UHFFFAOYSA-N 323.320 3.952 0 40 DHAB COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C 13121534 SVZBRBQBMJLVMX-FXUDXRNXSA-N 318.461 3.827 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)c1 13121730 DIKXCYBVZUXXBY-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB COc1ccc(C)cc1NC(=O)/C=C/c1nc2ccccc2o1 14019153 SLGOUZZOYWTFBD-MDZDMXLPSA-N 308.337 3.797 0 40 DHAB O=C(NC[C@@H]1CCCO1)c1ccc(Oc2ccc(F)cc2)cc1 14129374 SPIFTYYQAFAFOP-KRWDZBQOSA-N 315.344 3.527 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 14737983 KVILFADKFUXQBD-IRXDYDNUSA-N 311.425 3.900 0 40 DHAB CCc1nc(N)nc2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 15424335 CZXHDLGCGDHYOR-CYBMUJFWSA-N 323.440 3.831 0 40 DHAB C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 18016414 DZVGMQDXZKSFSM-LLVKDONJSA-N 304.340 3.522 0 40 DHAB C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1 19362656 GUDVQJXODNJRIJ-IRXDYDNUSA-N 321.468 3.867 0 40 DHAB biogenic,in-vitro CCC(CC)c1nc(NCCCC(=O)O)c2ccccc2n1 19791765 PSBYTDPBNPRANW-UHFFFAOYSA-N 301.390 3.810 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)cc1F 20482801 ALOOFSDQFVMUIE-INIZCTEOSA-N 321.323 3.770 0 40 DHAB COc1ccc(-c2csc3c(=O)n(C(C)C)cnc23)cc1 21356585 NVWMQSBOKQTGLZ-UHFFFAOYSA-N 300.383 3.715 0 40 DHAB Cc1nc(CC(=O)Nc2ccc3nc(C)sc3c2)cs1 21361429 JTZYZTRFUDSHBC-UHFFFAOYSA-N 303.412 3.551 0 40 DHAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(C)C 21580458 YTTNHGOIOFULHJ-UHFFFAOYSA-N 309.369 3.833 0 40 DHAB Cc1cc(C)n(-c2cc(NCc3ccccc3Cl)ncn2)n1 21713383 PYVKLMLCDSXXHF-UHFFFAOYSA-N 313.792 3.545 0 40 DHAB O=C(CCn1ccc2ccccc21)NCCc1ccccc1F 21926347 KJFQKYFNAKIHQJ-UHFFFAOYSA-N 310.372 3.529 0 40 DHAB C[C@H](NC(=O)NCc1ccc(Cl)cc1Cl)c1ccncc1 26187602 RNRNNMGEDPFBFG-JTQLQIEISA-N 324.211 3.949 0 40 DHAB C[C@H](NCc1nc(C2CC2)no1)C12CC3CC(CC(C3)C1)C2 32769993 FPXXLJCJOFPBPM-IWERZKIRSA-N 301.434 3.642 0 40 DHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(F)c1 32776623 QPXAEQLNMHESSE-KRWDZBQOSA-N 315.344 3.636 0 40 DHAB CC[C@@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccc(C)cc1 32913087 BZXALDGTAVWSKE-QGZVFWFLSA-N 323.396 3.714 0 40 DHAB Cc1cccc(Oc2ccccc2NC(=O)c2ccc(O)nn2)c1 32997798 UCXXTSAOCYBNEO-UHFFFAOYSA-N 321.336 3.535 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1Cl 40086417 LUAOJERRUSYTGG-OAHLLOKOSA-N 322.767 3.643 0 40 DHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC(C)C)c12 40127975 JDIMBEQQQMBIDT-UHFFFAOYSA-N 314.433 3.510 0 40 DHAB CC(C)c1nnc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)s1 40144040 JWSPTPFXSNVAEM-DTWKUNHWSA-N 321.368 3.969 0 40 DHAB CCOC(=O)c1cnc2cc(C(=O)OC(C)C)ccc2c1Cl 40174318 QBAGABUGCYFOSZ-UHFFFAOYSA-N 321.760 3.630 0 40 DHAB CN(C)C(=S)c1ccc(-c2ccc(Br)cc2)o1 40542473 HYULKHXLUWWZEV-UHFFFAOYSA-N 310.216 3.946 0 40 DHAB Cc1cc(Br)cc(C)c1NC(=S)NC(C)C 44195250 WCYNFPGXQIJWQD-UHFFFAOYSA-N 301.253 3.761 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1ccccn1 48234313 GOEVNQXKUAOBJH-DOMZBBRYSA-N 315.442 3.923 0 40 DHAB O=C(NCCSc1ccccc1)Nc1cc(F)cc(F)c1 48312501 MZPBUOOLBFAHJM-UHFFFAOYSA-N 308.353 3.879 0 40 DHAB Cc1ccc(-c2nnc(CN3CCC[C@@H]3c3ccc[nH]3)o2)cc1 48355846 RADAGCLNQCVRFV-MRXNPFEDSA-N 308.385 3.710 0 40 DHAB Cc1ccc(-c2ncc(C(=O)O)c(NCc3ccccc3)n2)cc1 49469798 IUBXJIOUCASSMA-UHFFFAOYSA-N 319.364 3.762 0 40 DHAB Cn1c([C@H]2CCCCN2C(=O)C[C@H]2C=CCC2)nc2ccccc21 54666729 DQTDIPIOMVOPFT-MAUKXSAKSA-N 323.440 3.983 0 40 DHAB COc1cc(C)ccc1N[C@@H](C(=O)N1CCCC1)c1ccccc1 55155687 QVTLAFDEYBWGLB-LJQANCHMSA-N 324.424 3.779 0 40 DHAB O=C(c1ccc2c(c1)CCO2)N1CCC[C@@H]1CCc1ccccc1 55487386 PHJABQFMNKQVBK-LJQANCHMSA-N 321.420 3.859 0 40 DHAB CCOC(=O)c1cc(C(C)(C)C)cc(Br)c1OC 57339292 MAPOMJAWYHRQCY-UHFFFAOYSA-N 315.207 3.932 0 40 DHAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCCCCC2)no1 57380598 GOYJGQFQSCOGSU-KRWDZBQOSA-N 313.401 3.539 0 40 DHAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2CCC2)c1 58246045 ITJKESIHPOLEIK-UHFFFAOYSA-N 308.809 3.559 0 40 DHAB CCOC(=O)c1ccc(OCc2ccccc2F)c(OCC)c1 62170285 YMMMAFIOZYAZLT-UHFFFAOYSA-N 318.344 3.980 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(-c2ccco2)on1 65624041 BZOXWWUMNWMCLE-UHFFFAOYSA-N 314.345 3.581 0 40 DHAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 67056808 IOXJOAVHNSSCJK-ZWKOTPCHSA-N 319.420 3.593 0 40 DHAB COCc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCCC1 68320271 MVLLYSFAGDMQCQ-IBGZPJMESA-N 324.424 3.609 0 40 DHAB CCN(CCC(F)(F)F)C(=O)CCC(=O)c1cccs1 69452910 QFVIYKKARHRGBO-UHFFFAOYSA-N 307.337 3.512 0 40 DHAB CC[C@H](C)[C@H](C)NC(=O)Cc1nc(-c2ccsc2)oc1C 71862878 IVHBKWBGKOECSX-QWRGUYRKSA-N 306.431 3.805 0 40 DHAB C[C@@H]1CCCCCN1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 72285050 WJWHMDUWSYZMEG-CYBMUJFWSA-N 315.417 3.832 0 40 DHAB CC(=O)Nc1cc(NC(=O)Nc2ccc(C)cc2)c(F)cc1F 75138323 JXRKUORSOQKJFT-UHFFFAOYSA-N 319.311 3.876 0 40 DHAB c1ccc(OCCn2c(CN3CCCC3)nc3ccccc32)cc1 76555507 KHLDZDUVFAVIHN-UHFFFAOYSA-N 321.424 3.711 0 40 DHAB COc1ccc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)cc1F 78556207 KAVLQGDDHVFIBV-FIKIJFGZSA-N 310.365 3.983 0 40 DHAB CC(C)[C@H]1CCCN1C(=O)Cc1coc(-c2cccs2)n1 78557400 POKRKQOFMRAYAD-CYBMUJFWSA-N 304.415 3.593 0 40 DHAB Cc1nccc(C(=O)N2CCCSc3ccc(Cl)cc32)n1 79721422 YEDZSVUNGLROHH-UHFFFAOYSA-N 319.817 3.581 0 40 DHAB Cc1ncc(Cl)c(C(=O)N2CCCSc3ccccc32)n1 89730037 VZDTXLUDPQVDFK-UHFFFAOYSA-N 319.817 3.581 0 40 DHAB FC(F)(F)CN(Cc1nnc(-c2cccs2)o1)C1CCC1 90006946 QHZHGGIQKALREG-UHFFFAOYSA-N 317.336 3.715 0 40 DHAB C[C@@H](Nc1ncnc2nc(N)ccc12)c1ccc2ccccc2c1 90066549 ARLCFMRLZMFBIB-GFCCVEGCSA-N 315.380 3.933 0 40 DHAB O=C(O)/C=C/c1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 95953313 JQKFUUGNKDRVPK-FPYGCLRLSA-N 306.321 3.518 0 40 DHAB CCOCc1ccccc1NC(=O)N[C@H]1CC[C@H](SC)C1 96434246 WZHAPNAXDYEIEQ-KBPBESRZSA-N 308.447 3.629 0 40 DHAB C[C@H](SCC(=O)Nc1ccccn1)c1nc2ccccc2o1 96496027 ATKOYNQYEGWHFT-NSHDSACASA-N 313.382 3.656 0 40 DHAB CN1C(=O)/C(=C/c2ccc(-n3ccnc3)c(F)c2)c2ccccc21 96991225 HHCFFCKMIKXNQH-XNTDXEJSSA-N 319.339 3.528 0 40 DHAB COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc(C)c1C 102172835 UHVVEARQIVVNGF-IJLUTSLNSA-N 307.415 3.526 0 40 DHAB C[C@@H]1C[C@H](N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)CCO1 108489469 AOYHLFHFBYGRBL-FXPVBKGRSA-N 303.233 3.794 0 40 DHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113951899 SLWXHCPVXFBNLL-NCOADZHNSA-N 301.430 3.766 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 170387670 FFINUKKXZOELDM-CZUORRHYSA-N 316.445 3.618 0 40 DHAB Cc1ccc2c(c1)[C@H](NCc1nncn1-c1ccccc1)[C@H](C)C2 180097828 IHKSGJPQRANFQY-FOIQADDNSA-N 318.424 3.599 0 40 DHAB CCN(Cc1ccc(Br)nc1)C(=O)OC(C)(C)C 218264324 HXJPJCGELJQBME-UHFFFAOYSA-N 315.211 3.601 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1OC(C)C 224168242 YCWLFKLMGNXBCP-CQSZACIVSA-N 313.397 3.973 0 40 DHAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C(C)(C)C)cc1 225592237 IMHVBMVSVPCFIP-OAHLLOKOSA-N 318.461 3.924 0 40 DHAB Cc1ccccc1COc1c(Cl)cc(C(N)=O)cc1Cl 226322023 BEGYVGKYELYXJW-UHFFFAOYSA-N 310.180 3.980 0 40 DHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251239096 SLWXHCPVXFBNLL-NXOAAHMSSA-N 301.430 3.766 0 40 DHAB O=C(/C=C/c1cccs1)N1CCC(Oc2ccsc2)CC1 575618210 FKRCRWJNQSSNOA-ONEGZZNKSA-N 319.451 3.893 0 40 DHAB CC(C)(C)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1 1203999393 FMLVQEADQBHRSE-UHFFFAOYSA-N 324.468 3.967 0 40 DHAB CCN(C(=O)Cn1cc(C=O)c2ccccc21)c1ccccc1 264054 FVRDQBLTGUEGOH-UHFFFAOYSA-N 306.365 3.507 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2cccc(Cl)c2)c1Cl 385532 UBBYAVZWRSLHPL-UHFFFAOYSA-N 312.200 3.932 0 40 DHAB CCc1ccccc1NS(=O)(=O)c1ccc(Cl)s1 3907375 ULYAALHBZOJTTJ-UHFFFAOYSA-N 301.820 3.765 0 40 DHAB Cc1ccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)c(C)c1 4062639 USTPBLRSVYQBKU-UHFFFAOYSA-N 320.392 3.925 0 40 DHAB COc1cccc(C(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)c1 4088921 PGFRETSCMRTSHV-UHFFFAOYSA-N 320.392 3.683 0 40 DHAB biogenic Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1 4225239 RGLYMPLFGXBJTC-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCCCC1 4746172 PAPGUHQDPFIYQU-INIZCTEOSA-N 320.864 3.565 0 40 DHAB Cc1nc(SCC(=O)NC(C)(C)C)n(C2CCCC2)c1C 5090045 OWVBJCQWGJYUOT-UHFFFAOYSA-N 309.479 3.622 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(C(F)(F)F)c1 6650178 IJHCLLOUUQDGTM-RISCZKNCSA-N 315.335 3.779 0 40 DHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1cccs1 7272844 CIBAFYDTMLOIQV-SOFGYWHQSA-N 315.394 3.539 0 40 DHAB CNCCCNCc1cccc(OCc2ccc(Cl)cc2)c1 8377178 OSWCTNLVSYTRHK-UHFFFAOYSA-N 318.848 3.618 0 40 DHAB O=C(NCCc1cccs1)Nc1nc2ccccc2s1 9975361 NSQOSBQVERYRPI-UHFFFAOYSA-N 303.412 3.722 0 40 DHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccnc1 10810858 IQVNJXZGUHMVSW-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB CCCCCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1 11694270 ZDIBMUBCRKSULT-UHFFFAOYSA-N 301.390 3.550 0 40 DHAB C[C@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1(Cl)Cl 12852044 CZAUBUOPIFLOBF-SNVBAGLBSA-N 324.110 3.531 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 13167643 GWFJTIKYQPLDNL-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 14203693 GBFOUHLOTMWMGM-LLVKDONJSA-N 324.302 3.514 0 40 DHAB Brc1ccc2cc(OC3CCNCC3)ccc2c1 14631952 WJPWQXNBLIUFFO-UHFFFAOYSA-N 306.203 3.733 0 40 DHAB in-vitro COc1cccc(NC(=O)c2cc3ccc(OC)cc3nc2C)c1 16505924 QFCZZQLZSWALEU-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB O=C1CC2(CCCCC2)C(=O)N1Cc1coc(-c2ccccc2)n1 21586094 AHIIXZLNGWNUNC-UHFFFAOYSA-N 324.380 3.551 0 40 DHAB CN(C)C(=O)[C@@H]1CCCN1Cc1sc2ccccc2c1Cl 22014773 WCLVHAYALPEKEG-LBPRGKRZSA-N 322.861 3.607 0 40 DHAB Cc1nc(-c2cc(C)n(CC(=O)N[C@@H](C)C(C)C)c2C)cs1 22758473 XFZZPRODCVAHHW-LBPRGKRZSA-N 319.474 3.698 0 40 DHAB Cc1cn2nc(N3CCC(Cc4ccccc4)CC3)sc2n1 22976878 MPXWKTUEQINLTE-UHFFFAOYSA-N 312.442 3.558 0 40 DHAB O=C(Cc1coc2cc3c(cc12)CCC3)NC(C1CC1)C1CC1 23043251 ZOOCAKPQWKNDSF-UHFFFAOYSA-N 309.409 3.769 0 40 DHAB CN(C)CCN(Cc1cc(F)cc(F)c1)Cc1cccs1 23247853 MDFNSLFWNSCUDM-UHFFFAOYSA-N 310.413 3.590 0 40 DHAB O=C(NCc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 25238758 NDKCIQMEVPXAKO-STQMWFEESA-N 300.324 3.607 0 40 DHAB Cc1cc(CS[C@H](C)C(=O)Nc2ccccc2Cl)no1 27190941 GRRVLPGPTXZXAH-SNVBAGLBSA-N 310.806 3.897 0 40 DHAB CCCn1c2c(c(SCc3ccccc3F)nc1=O)CCC2 28286776 FVKJDQXJJPOMQL-UHFFFAOYSA-N 318.417 3.573 0 40 DHAB CCOC(=O)c1cc(C(C)C)nc2onc(-c3ccco3)c12 32739792 DOAPXTFHBOLHKF-UHFFFAOYSA-N 300.314 3.783 0 40 DHAB COC(=O)c1cccnc1N(C)Cc1ccc(C(F)(F)F)cc1 32895065 QSSNSCLFBGOWOZ-UHFFFAOYSA-N 324.302 3.523 0 40 DHAB CC(C)NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 39932535 OGIHHKYQNORGBB-UHFFFAOYSA-N 317.439 3.745 0 40 DHAB CCc1cccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1 40098802 ZFWXSPYLCKOKPR-INIZCTEOSA-N 318.804 3.758 0 40 DHAB Cc1nc2ccc(NC(=O)NCCCOCC(C)C)cc2s1 40103261 CBOGHDGBABGFRZ-UHFFFAOYSA-N 321.446 3.789 0 40 DHAB CCc1c(C(=O)N(C)CC2CC2)cnn1-c1cccc(Cl)c1 40151990 IDAMVJLFRMTALW-UHFFFAOYSA-N 317.820 3.570 0 40 DHAB Cc1cccc(NC(=O)c2ccc(Br)c(N)c2)c1C 40293497 UWTBNMCVAQRGBZ-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)Nc1cc(Cl)ccc1F 43526979 ZXTFKUVQEBZMCZ-UHFFFAOYSA-N 311.744 3.748 0 40 DHAB CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1F 53943995 UZDCQLKJHRHIQN-UHFFFAOYSA-N 310.328 3.890 0 40 DHAB O=C(CSc1ccccc1)Nc1ccc2oc(=O)ccc2c1 54253558 FKNIUBHRHMKTPA-UHFFFAOYSA-N 311.362 3.524 0 40 DHAB C[C@@H](COc1ccccc1)NC(=O)c1ccc(Cl)cc1F 55732780 OFYRTQDDLHIVIV-NSHDSACASA-N 307.752 3.676 0 40 DHAB Cc1nc(Cl)cc(Oc2ccc(-c3noc(C)n3)cc2)n1 60342888 JYKSGZGYOPBVQV-UHFFFAOYSA-N 302.721 3.589 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)N(C)c3ccccc3)cc2)n1 61132655 QODMBRGUBKTXAX-UHFFFAOYSA-N 319.408 3.825 0 40 DHAB CN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 61886970 PWVLZAWWMIOCEB-HUGJHKJRSA-N 317.473 3.726 0 40 DHAB COc1ccccc1/C(C)=C/C(=O)N(C)CCC(F)(F)F 66334506 IYPFWOFEXQLCPG-ZHACJKMWSA-N 301.308 3.509 0 40 DHAB CCc1ccsc1C(=O)Nc1ccc(-c2nnco2)cc1C 67724228 DNTKSMPAXVYYLB-UHFFFAOYSA-N 313.382 3.921 0 40 DHAB C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccccc1 68592944 HKNRFSKVNVFHFO-ZBFHGGJFSA-N 304.434 3.564 0 40 DHAB CC[C@@H](C)n1ncc2c(C(=O)Nc3cccc(C)n3)cc(C)nc21 69351940 ASSMMAWJBHSCEK-CYBMUJFWSA-N 323.400 3.666 0 40 DHAB Cc1cccnc1NC(=O)c1ccc(OCc2ccccc2)nc1 69452474 UJRLOTXZDRHBQS-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)[C@@H]1CCCO1 71796413 SMTGAZPIURJEFB-INIZCTEOSA-N 303.308 3.749 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)c2cnc(C(C)(C)C)s2)no1 71825480 FZPCAROUGOQGRH-GFCCVEGCSA-N 319.430 3.714 0 40 DHAB COc1cccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)c1 72229457 ZDDSYHFLLYSCBD-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cc1nc([C@@H](C)NC(=O)NC2(c3ccccc3)CCC2)cs1 72271581 YZUVOZWMCQACFS-GFCCVEGCSA-N 315.442 3.891 0 40 DHAB O=C(c1cscn1)N1CCC(CCc2ccccc2)CC1 72368615 GKXXDBNDZDKWTK-UHFFFAOYSA-N 300.427 3.628 0 40 DHAB O=C(NCCc1ccsc1)c1ccc(OC(F)(F)F)cc1 75170089 PCONIEALHMJDJW-UHFFFAOYSA-N 315.316 3.619 0 40 DHAB Ic1n[nH]c2cc(-c3ccccc3)ccc12 75629432 CNKMVUYZPGCZDS-UHFFFAOYSA-N 320.133 3.835 0 40 DHAB in-vitro CSCCCNC(=O)N(C)CCc1cccc2ccccc12 77669431 JUNMVEBJGDXRNP-UHFFFAOYSA-N 316.470 3.777 0 40 DHAB Cc1nn(C)c(C)c1[C@H](C)NCc1ccc(OC(C)C)cc1 78553181 ZFLLQRUSPLRTHV-ZDUSSCGKSA-N 301.434 3.675 0 40 DHAB Cc1cc([C@H](C)NC(=O)[C@@H](c2ccccc2)n2cccn2)c(C)o1 84081605 QSIXXMMLRYMUKO-KBXCAEBGSA-N 323.396 3.560 0 40 DHAB CCC(=O)N1CCC(N[C@H](c2ccccc2)C2CCC2)CC1 89941628 HQAFOAAGOYZGMF-LJQANCHMSA-N 300.446 3.518 0 40 DHAB Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(O)c1 95945919 GJMMLKYEIGFZEE-UHFFFAOYSA-N 305.399 3.625 0 40 DHAB COC(=O)c1cc(SCc2nnc(C3CC3)o2)ccc1Cl 95964588 IIQQEPZSWFZFDJ-UHFFFAOYSA-N 324.789 3.679 0 40 DHAB Clc1cc(Cl)c(I)nc1Cl 96171574 IWNBQRXESOHIHP-UHFFFAOYSA-N 308.333 3.646 0 40 DHAB COCCc1noc(-c2cc(C3CC3)nc3ccc(C)cc23)n1 96448178 ZJQBTGGPEAWCDH-UHFFFAOYSA-N 309.369 3.660 0 40 DHAB CCO[C@@H]1C[C@@H](NCc2nc3ccccc3o2)C1(CC)CC 97164321 LLMUKIKUYXFHMS-HZPDHXFCSA-N 302.418 3.901 0 40 DHAB Fc1ccc2c(c1)CCC[C@@H]2NCc1cccc(-c2nc[nH]n2)c1 97230750 MBHLHNKJWUQDCY-SFHVURJKSA-N 322.387 3.778 0 40 DHAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)Cc1ccsc1 106519234 YTSWKUHWFOKNPF-KCXAZCMYSA-N 315.438 3.608 0 40 DHAB C[C@@H](NC(=O)N[C@H]1C[C@H]2CC[C@H]1O2)c1csc2ccccc12 108105628 UFXWALSGDLIUJM-HKCMKHECSA-N 316.426 3.581 0 40 DHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1sccc1C 222858432 OKRTVEZRODNHQU-ZIAGYGMSSA-N 317.483 3.834 0 40 DHAB CCOc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)cc1 225479790 IYQMUQMZWWWMCD-UHFFFAOYSA-N 313.401 3.549 0 40 DHAB COC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1OC(C)C 225787468 FHASORMFRLZTTJ-UHFFFAOYSA-N 319.401 3.779 0 40 DHAB CCOc1cccc(NC(=S)NCc2ccccc2F)c1 225835774 IONBRHNAJSBYQR-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCCCCC3)cc2)n1 225913834 OJHQPEYNRGGSON-UHFFFAOYSA-N 324.428 3.853 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cccc2ncccc12 257233266 GONSKRQBGPGCDU-KRWDZBQOSA-N 320.396 3.634 0 40 DHAB NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1 257306148 STDDUCHNHKMZCV-MQMHXKEQSA-N 308.385 3.517 0 40 DHAB C[C@H](NCc1ccccc1)c1nc([C@@H]2CCCSCC2)no1 575414971 DCWNRCLMDRMAOA-DZGCQCFKSA-N 317.458 3.921 0 40 DHAB Fc1cc(F)c2nc(N3CC[C@H](c4ccccn4)C3)sc2c1 2298086656 QDKNVLQVJRBELA-JTQLQIEISA-N 317.364 3.963 0 40 DHAB CCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 417773 RZWZQIJPTUXFNV-CQSZACIVSA-N 316.426 3.732 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 569135 VLCHDGGDDFQPNZ-UHFFFAOYSA-N 321.229 3.558 0 40 DHAB CCc1c2c3ccccc3n(C)c2c2c([n+]1C)CC(C)(C)CC2=O 1280549 FZJZOGSKCPZPMI-UHFFFAOYSA-N 321.444 3.874 0 40 DHAB Cc1cc(-c2csc(NC(=O)c3cccnc3)n2)ccc1F 2543496 CSZJCRSDGJGYPV-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CCOc1ccc(NC(=O)Cn2c(CC)nc3ccccc32)cc1 6314077 KXZPKAXCWLGHJF-UHFFFAOYSA-N 323.396 3.636 0 40 DHAB COc1ccc(-c2nc3ccccn3c2Br)cc1 6732152 YRBTWQXRCYWNPB-UHFFFAOYSA-N 303.159 3.772 0 40 DHAB CC[C@@H](C)[C@@H](Nc1nc(C)nc2c1oc1ccccc12)C(=O)O 6952713 VBWVTQZYKNGRSQ-NOZJJQNGSA-N 313.357 3.596 0 40 DHAB Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 8702554 KQEOPBYJJCVOPV-UHFFFAOYSA-N 321.346 3.614 0 40 DHAB Cc1ccccc1COC(=O)c1c(Cl)nc2sccn12 8988710 IYDYOAHXVQMBBI-UHFFFAOYSA-N 306.774 3.715 0 40 DHAB C[C@@H]1CN(C(=O)c2ccccc2CCc2ccccc2)C[C@@H](C)O1 9190789 ONAQTCKZLOGETB-IAGOWNOFSA-N 323.436 3.721 0 40 DHAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)C1CC1 9305675 WAUZVVABQCKKEO-UHFFFAOYSA-N 305.333 3.809 0 40 DHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccco1 9390243 ZEXWUCVMONTRAR-OAHLLOKOSA-N 301.342 4.000 0 40 DHAB C[C@H](Oc1ccccc1F)C(=O)Nc1nc2c(s1)CCCC2 11916564 KEAYQRCJYIKDLS-JTQLQIEISA-N 320.389 3.567 0 40 DHAB Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)c3ccncc3)nc2c1 12116173 MDVKBAGFNYKKHL-KRWDZBQOSA-N 320.396 3.634 0 40 DHAB Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)no1 13625278 VWACFDOSCMMPRO-UHFFFAOYSA-N 323.352 3.769 0 40 DHAB COc1cccc(NC(=O)N(C2=NCCC2)c2ccccc2)c1 16689866 BEQJJQGHWZLZKT-UHFFFAOYSA-N 309.369 3.926 0 40 DHAB COCCOc1cccc(NC[C@@H](C)Oc2cccc(C)c2)c1 19737573 FWULYIRIPBQKEO-MRXNPFEDSA-N 315.413 3.900 0 40 DHAB CCOc1cccc(CNC(=O)c2ccc(OC(C)C)cc2)c1 20495374 MIZPSASVRQPVQT-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB CSc1ncccc1C(=O)N[C@H]1CCSc2ccccc21 21898935 MLSAHVFATBNVAP-ZDUSSCGKSA-N 316.451 3.770 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1 22520670 UMJRLSXFBHESFQ-HNNXBMFYSA-N 309.287 3.900 0 40 DHAB CCN1CCC[C@@H]1CN(CCc1ccccc1)Cc1ccncc1 22913847 ZHTZVUMYEBHYFL-OAQYLSRUSA-N 323.484 3.611 0 40 DHAB Cc1ccc(NC(=O)CSCc2c(C)noc2C)cc1F 23040165 AGBKAFDDWYACGN-UHFFFAOYSA-N 308.378 3.611 0 40 DHAB CCc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1 23532327 ZGRFXKADKFBRTJ-UHFFFAOYSA-N 320.443 3.695 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C 32586613 DIODIFSEPTYTMI-UHFFFAOYSA-N 319.426 3.811 0 40 DHAB Cc1ccc(CNC(=O)CCc2nc3ccccc3s2)s1 40122222 NVQFVNYFZLGSOE-UHFFFAOYSA-N 316.451 3.915 0 40 DHAB Fc1cccc(Cl)c1-c1nn2c(-c3ccco3)nnc2s1 40288603 IBLAZBLEKHJNGS-UHFFFAOYSA-N 320.736 3.905 0 40 DHAB Cc1nc2cc(C(=O)Nc3nc4ccccc4s3)ccc2[nH]1 40311911 ILVQDVCLRZYFIS-UHFFFAOYSA-N 308.366 3.733 0 40 DHAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2 41450570 SYRNIKCTBPSREZ-UHFFFAOYSA-N 314.341 3.501 0 40 DHAB CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccnc2)cc1 44889523 AZGRSDYAHPSYPK-KRWDZBQOSA-N 311.385 3.849 0 40 DHAB CC(C)c1nc(CC(=O)N(Cc2ccco2)C2CC2)cs1 46754232 CAYSOBUDUAPAJL-UHFFFAOYSA-N 304.415 3.593 0 40 DHAB Clc1snnc1CN1CCC[C@@H]1CCc1ccccc1 48249136 OTPGYELRTLUJLZ-CYBMUJFWSA-N 307.850 3.789 0 40 DHAB O=C(Nc1cn[nH]c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 57029574 ZUVXVQOOEPRYKZ-UHFFFAOYSA-N 324.306 3.625 0 40 DHAB CCCNC(=O)Nc1cccc(C)c1NC(=O)c1ccccc1 66089527 RNLOOXNFQJYFSU-UHFFFAOYSA-N 311.385 3.779 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)sc1C 72297381 BSRHGATVBCVUNL-AWEZNQCLSA-N 318.417 3.919 0 40 DHAB Cc1ccc(-c2nc(CCNCc3cccc(O)c3)co2)cc1 78552480 WSADPHRDNRKFFQ-UHFFFAOYSA-N 308.381 3.688 0 40 DHAB CN(C)c1cc(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)ccn1 84673355 JXSJHAYMQDBEFV-KRWDZBQOSA-N 323.440 3.690 0 40 DHAB COc1ccc([C@H](C)NCc2cccc(Cn3cccn3)c2)cc1 95420669 UYZDLQLXRPTSJH-INIZCTEOSA-N 321.424 3.791 0 40 DHAB CC(=O)N1CCc2sc(-c3csc(CC4CC4)n3)cc2C1 96009355 HACLTODVTKJCRV-UHFFFAOYSA-N 318.467 3.729 0 40 DHAB CS(=O)(=O)c1ccc(Nc2nc(-c3ccoc3)cs2)cc1 96124501 BWGFQAKVGNPNSV-UHFFFAOYSA-N 320.395 3.550 0 40 DHAB CSCc1cccc(NC(=O)N2CC[C@@H](CSC)C2)c1 96418076 JYRHXYYIYVBMOG-CYBMUJFWSA-N 310.488 3.766 0 40 DHAB Cc1ccc(C2=N/C(=C/C3=Cc4ccccc4OC3)C(=O)O2)cc1 96935613 GHCHVTDLMOTUQO-GZTJUZNOSA-N 317.344 3.658 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cccc(F)c1C2 98214142 IFDCDADUHVBANY-UHFFFAOYSA-N 320.408 3.811 0 40 DHAB CCCc1[nH]c2c(-c3ccc(F)cc3)c(C)nn2c(=O)c1Cl 100129947 NETCMNNTRALQPQ-UHFFFAOYSA-N 319.767 3.743 0 40 DHAB CCCCCN(CCCCC)C(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102316429 DYNDMDXKLAADIH-QAETUUGQSA-N 321.461 3.718 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 113968859 WXNNDZUVFXBEQZ-KBXCAEBGSA-N 313.397 3.730 0 40 DHAB O=C(O)c1cc(Cl)c(OCc2ccccc2Cl)cc1O 216933861 STGPZNLXQCCDJJ-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCOc2ccc(Cl)cc2)cc1 223449620 CKKYCVRRPIDVSI-IZZDOVSWSA-N 315.800 3.857 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(N3CCCC3)cc2)cc1C 224936648 LXANPCKRSCUWHF-UHFFFAOYSA-N 324.424 3.785 0 40 DHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)[C@@H](C)Oc1ccccc1 253472903 QKKCRGQOTNFQMX-LSDHHAIUSA-N 323.392 3.948 0 40 DHAB C[C@H](NC(=O)Nc1cccc(N2CCCC2)c1)c1ccccn1 299091642 GVRFOZNQTXDLCW-AWEZNQCLSA-N 310.401 3.565 0 40 DHAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)NC1CCCCC1 408528716 FUXNXADGZSTYKX-VAWYXSNFSA-N 307.397 3.606 0 40 DHAB Cc1ccc(F)cc1NC(=O)[C@@H](C)Cn1ncc2ccccc21 551095034 CCGZYCFYKBMZBE-ZDUSSCGKSA-N 311.360 3.759 0 40 DHAB CCC1(CC)CN(C(=O)c2ccc3nc(C(F)F)[nH]c3c2)C1 557758710 SWDMVRBIVJYUKG-UHFFFAOYSA-N 307.344 3.763 0 40 DHAB Cc1cnc(-c2noc(C[C@@H]3C[C@H](C)c4c(C)cccc43)n2)nc1 564266890 PSNIERHYRHNPCB-KBPBESRZSA-N 320.396 3.977 0 40 DHAB Cc1cccc([C@@H]2CCCCN2C(=O)C[C@@H](C)CC(=O)O)c1C 574415557 ZHLBKORIKWQEFD-DYVFJYSZSA-N 317.429 3.858 0 40 DHAB CCN(CC)c1ccc(C(=O)C(F)(F)Br)cc1 575358334 RYVPRRHMNRMGPY-UHFFFAOYSA-N 306.150 3.703 0 40 DHAB CC(C)(C)[C@@H]1CN(C(=O)c2ccc3nn[nH]c3c2)c2ccccc21 576338628 ICENUFVQSVMQSK-CQSZACIVSA-N 320.396 3.748 0 40 DHAB Cc1sc2nc(-c3coc(C(F)(F)F)n3)nc(O)c2c1C 585137220 MPCRFKLWNASVIW-UHFFFAOYSA-N 315.276 3.688 0 40 DHAB COc1cccc(C(=O)NCC[C@H]2CCc3ccccc3N2)c1C 662584466 OOSNWTSBWPQEGX-MRXNPFEDSA-N 324.424 3.550 0 40 DHAB c1ccc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)cc1 1889264634 SWPZESYJVLITGQ-UHFFFAOYSA-N 303.409 3.971 0 40 DHAB Clc1ccc(CN2CCC(Oc3nccs3)CC2)cc1 2086889223 RONPSKYWKKZPIS-UHFFFAOYSA-N 308.834 3.840 0 40 DHAB Cn1c(SCc2ccc(F)cc2)nnc1-c1cccs1 41267 PTBOVXACVWXRBG-UHFFFAOYSA-N 305.403 3.975 0 40 DHAB O=C(Oc1ccc(Cl)cc1)c1cc2ccccc2oc1=O 105796 ZVBMTVARFXOPPQ-UHFFFAOYSA-N 300.697 3.666 0 40 DHAB COc1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC 300380 UEOBWABPEVGSNM-LIRRHRJNSA-N 317.429 3.745 0 40 DHAB Cc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1C 423482 UDJQGDDDOQDHFT-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB COc1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 2054335 BWYUXDBYGBFICB-UHFFFAOYSA-N 320.410 3.760 0 40 DHAB CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccsc1 3248128 XTZHOEYBKXSCDK-UHFFFAOYSA-N 323.439 3.730 0 40 DHAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)[C@@H]1CCCO1 4173269 UDPMCFFEIVFKLF-ZDUSSCGKSA-N 322.817 3.505 0 40 DHAB Cc1ccccc1CSCCNC(=O)CCc1ccccc1 4703265 ZQWOQBXUGYFWMK-UHFFFAOYSA-N 313.466 3.977 0 40 DHAB CCN(CC)CCNc1ncnc2sc3c(c12)C[C@H](C)CC3 5033092 IMWLHHPIVNYXAE-GFCCVEGCSA-N 318.490 3.570 0 40 DHAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)C(C)(C)C)cc2c1 5197523 HBHCUUTTXQZCGR-UHFFFAOYSA-N 314.429 3.620 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc21 5442840 PTJIUEYPNRYUGO-FZKQIMNGSA-N 313.372 3.787 0 40 DHAB COc1ccc(C(=O)Oc2ccc(Cl)cc2C)c(OC)c1 5860184 OPEJEPSTWTUZQW-UHFFFAOYSA-N 306.745 3.885 0 40 DHAB CSc1cccc(NC(=S)NCCc2ccccc2)c1 6331365 MNWWWXWCLVMNCP-UHFFFAOYSA-N 302.468 3.938 0 40 DHAB C[C@@H]1CCCCN1C[C@H](O)COc1cc(Cl)ccc1Cl 6626660 SZXXXOBSIGXURT-YPMHNXCESA-N 318.244 3.608 0 40 DHAB COc1ccc(N(C)C(=S)Nc2ccc3conc3c2)cc1 6949491 YDAUCNDVXVYADU-UHFFFAOYSA-N 313.382 3.670 0 40 DHAB CC(C)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1 7504676 AVJYZNUSISWYEW-UHFFFAOYSA-N 324.424 3.899 0 40 DHAB CC(=O)c1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1 7927498 WKIWTTSSWYSAPJ-UHFFFAOYSA-N 321.348 3.898 0 40 DHAB CCOc1ccc(CNC(=O)c2cccc(C)c2)cc1OCC 8050937 OHUFYVBWERDBLA-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB Cc1ccc(-c2csc(NC(=O)c3cnc(C)cn3)n2)c(C)c1 8734506 QYLIABLSBHZEMR-UHFFFAOYSA-N 324.409 3.778 0 40 DHAB CC[C@@H](C)c1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 9513359 HMPIGKWSMYOTHM-ACJLOTCBSA-N 324.432 3.842 0 40 DHAB Cc1ccc(C)c(-n2ncc3c(N4CCCCCC4)ncnc32)c1 9627545 NHCZNJBZHIKAGX-UHFFFAOYSA-N 321.428 3.813 0 40 DHAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(F)cc(F)c1)C2 10491699 ZQCDAGMJKACYLA-OAHLLOKOSA-N 305.349 3.929 0 40 DHAB CC(C)CCn1c(CNC(=O)c2ccco2)nc2ccccc21 12539524 DFHDXDZNXOLZKI-UHFFFAOYSA-N 311.385 3.605 0 40 DHAB CC1CCN([C@@H](CNC(=O)c2ccoc2)c2cccs2)CC1 12903810 IOTYXMAPWMUFAU-HNNXBMFYSA-N 318.442 3.544 0 40 DHAB O=c1c2ccccc2nc(-c2ccc(F)cc2)n1Cc1ccco1 13637344 RXQMOZMNDRQXFD-UHFFFAOYSA-N 320.323 3.844 0 40 DHAB Cc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1Cl 13709716 NDTYTQPTGADPCZ-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB O=C(NCCc1cccs1)c1ccc2c3c(cccc13)CC2 14050013 ICXAACMZDRXJCT-UHFFFAOYSA-N 307.418 3.972 0 40 DHAB CCOc1ccccc1NC(=O)/C=C/c1cnc2ccccc2n1 14109765 NGQIZXHSLDGJPH-VAWYXSNFSA-N 319.364 3.680 0 40 DHAB Cc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1F 14242818 NYIPMOUWKZDWFF-UHFFFAOYSA-N 323.314 3.708 0 40 DHAB O[C@H](CNc1ccccn1)COc1ccc(-c2ccccc2)cc1 16780239 OIQNAQQMADINQQ-GOSISDBHSA-N 320.392 3.600 0 40 DHAB Cc1ccc(/C=C(/c2ccccc2)[C@@H](CC(=O)O)C(=O)O)cc1 17003926 ZRVAPWLEIGHBCB-ZFOVBUMHSA-N 310.349 3.711 0 40 DHAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1C 17915990 YRXANVLTFBPTPO-AWEZNQCLSA-N 301.361 3.699 0 40 DHAB Cc1cc(N)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 19736406 NGMRGXOCOPTIFB-UHFFFAOYSA-N 312.413 3.892 0 40 DHAB O=c1c(-c2ccccc2)c(O)[nH]c2ccc(Br)cc12 20428303 OMLREEQSQIWCSI-UHFFFAOYSA-N 316.154 3.663 0 40 DHAB CCc1noc(C)c1C(=O)N1CCCSc2ccccc21 23268453 RKILWZXPMMOSLH-UHFFFAOYSA-N 302.399 3.688 0 40 DHAB C[C@@H](NC(=O)CNC(C)(C)C)c1ccc(-c2ccccc2)cc1 24165485 IKLJGPXCDZYURT-OAHLLOKOSA-N 310.441 3.919 0 40 DHAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)COC)n2)cc1 25055358 RLWVTXWOWYGEBO-LLVKDONJSA-N 304.415 3.909 0 40 DHAB Cc1cc(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)no1 25241858 DPVZGGYHETVLAY-UHFFFAOYSA-N 316.361 3.612 0 40 DHAB CCCCCNC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 27227384 ALFOKMGBEUUPGX-UHFFFAOYSA-N 321.421 3.614 0 40 DHAB O=C(Cc1noc2ccccc12)N1CCCSc2ccccc21 28248628 KRTVFBUOKGGXKI-UHFFFAOYSA-N 324.405 3.899 0 40 DHAB O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1ccccc1 29981043 UCAFJPULLXJFPT-GOSISDBHSA-N 319.408 3.790 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2F)c(C)c1 30861535 QTMFXOFFXFZVOB-CQSZACIVSA-N 321.417 3.623 0 40 DHAB Cc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1C 31206322 AJKREOVNTJKCIO-UHFFFAOYSA-N 315.417 3.945 0 40 DHAB O=C(NCCCOC1CCCCC1)Nc1cc(F)cc(F)c1 40024040 CGIKQCRGRCPNFN-UHFFFAOYSA-N 312.360 3.826 0 40 DHAB Cc1ccc2c(CC(=O)N3c4ccnn4[C@H](C)C[C@H]3C)coc2c1 40146286 ABMQPIVSRCGOIX-ZIAGYGMSSA-N 323.396 3.867 0 40 DHAB CC(C)CCn1cnc2c(sc3nc4c(cc32)CCC4)c1=O 40267284 CCGSLFOBGKJMOU-UHFFFAOYSA-N 313.426 3.541 0 40 DHAB O=C(Cn1ccc2ccccc21)Nc1nc2c(s1)CCCC2 44442681 UIOLXAUKAXUGIQ-UHFFFAOYSA-N 311.410 3.615 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2)cc1OC 44845344 LHTNJZIABDUQSM-LLVKDONJSA-N 318.348 3.726 0 40 DHAB Cc1c(C(=O)Nc2ccc3ncccc3c2)[nH]c2c1C(=O)CCC2 58329100 FYRRWNWWXMYDTA-UHFFFAOYSA-N 319.364 3.643 0 40 DHAB Cc1cc([C@H](C)NC(=O)Cc2coc(-c3ccccc3)n2)c(C)o1 58330133 UHWMWWCROFYGHN-ZDUSSCGKSA-N 324.380 3.971 0 40 DHAB Cc1cc(C(=O)N(C)Cc2ccc(SC(F)F)cc2)no1 64467516 DGUCNVRFVPZQAC-UHFFFAOYSA-N 312.341 3.570 0 40 DHAB CCOc1cccc(NC(=O)[C@@H](C)n2cnc3ccccc32)c1 65518969 LWOSSFXJGLBUBW-CYBMUJFWSA-N 309.369 3.635 0 40 DHAB Cc1ccc([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 69347558 GBLPIIAYHWLXGV-OAHLLOKOSA-N 309.369 3.975 0 40 DHAB Cc1nc(C2(NC(=O)Nc3ccc(Cl)cc3)CCCC2)no1 69704901 AOMPOLSWGCTHPM-UHFFFAOYSA-N 320.780 3.622 0 40 DHAB Cc1oc(-c2ccsc2)nc1CN[C@@H](C)[C@H](C)n1cccn1 71882092 JLCKUUIPVBODSH-RYUDHWBXSA-N 316.430 3.647 0 40 DHAB CCC(CC)c1nnc(NC(=O)CSC(C)(C)C)s1 72501702 NWHRZBFQEXXZMF-UHFFFAOYSA-N 301.481 3.912 0 40 DHAB Cc1oc(-c2ccsc2)nc1CSCC(=O)NC(C)(C)C 75584419 UUQXMMKRVBOLFQ-UHFFFAOYSA-N 324.471 3.859 0 40 DHAB C[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)c1cccs1 78942370 NADPLPGPGFFUIC-ZWNOBZJWSA-N 321.471 3.759 0 40 DHAB CN(C(=O)c1ccc(NC2CC2)nc1)C1CCCCCCC1 89334996 PFPOKRZFJQQXRK-UHFFFAOYSA-N 301.434 3.841 0 40 DHAB COc1cc([C@H](C)N[C@H](C)C2CCOCC2)ccc1OC(C)C 95419745 GAMVHCYTLYWFPN-CABCVRRESA-N 321.461 3.948 0 40 DHAB CCOC(=O)N(C)c1ccc(NC2CCN(C(C)C)CC2)cc1 97082119 BISKRHFZDQPYRM-UHFFFAOYSA-N 319.449 3.564 0 40 DHAB CC[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 97234559 DOGQEFKLVUFHED-KBPBESRZSA-N 318.446 3.859 0 40 DHAB O=C(N[C@H](c1ccc(F)cc1)c1ccccn1)[C@H]1C[C@H]2C=C[C@H]1C2 100794312 HWQSLOBZQXURFZ-YMFLFHJQSA-N 322.383 3.639 0 40 DHAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N(Cc1cccnc1)Cc1ccco1 102823716 MWEIOPKUVVZHPT-QGPMSJSTSA-N 310.397 3.640 0 40 DHAB CCn1cc(N[C@@H]2CCc3cc(Br)ccc3C2)cn1 104366132 WQIGOYCSMSGGTP-CQSZACIVSA-N 320.234 3.635 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccccc2C(C)C)cc1 223787997 HCSTUQBIWWZHAT-UHFFFAOYSA-N 311.425 3.856 0 40 DHAB C[C@@H](COc1ccccc1)NC(=O)Cc1ccc(Cl)cc1F 225022422 OEHADEQAGULKQW-LBPRGKRZSA-N 321.779 3.605 0 40 DHAB COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 225865091 LGOWMLOEELQVJW-UHFFFAOYSA-N 310.397 3.931 0 40 DHAB CCCN(CCC)C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 248341556 WLHJRBJPHRKJAX-YWTNHNAXSA-N 311.510 3.701 0 40 DHAB COc1ccccc1-c1cc(C[C@H]2CCCN(C(C)=O)C2)ccn1 257293784 QRECHRBOSQENCV-QGZVFWFLSA-N 324.424 3.558 0 40 DHAB CCC[C@H](C)NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 408713297 RTSBVFLZNNXBSZ-NSHDSACASA-N 320.820 3.593 0 40 DHAB CCc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccncc2F)cc1 513394214 LGULFAKBNAOSFA-CYBMUJFWSA-N 314.404 3.938 0 40 DHAB Cc1cc2c(cc1-c1ccnc3ncnn13)NC(C)(C)C[C@H]2C 575473162 KGOHOTXZQWBOEE-GFCCVEGCSA-N 307.401 3.797 0 40 DHAB Cc1cc(=O)c2c(o1)C1(CCC(c3ccccc3)CC1)CC(=O)O2 1547139454 QEOPSZSFMCGJJF-UHFFFAOYSA-N 324.376 3.853 0 40 DHAB biogenic Cc1cccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1C 252171 ISFOSUUFILLVJL-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)cc1 277203 AYKLRAKVBPFVNU-UHFFFAOYSA-N 313.353 3.981 0 40 DHAB COc1cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c(OC)cc1Cl 975276 WHHFFWXAHHEODY-AXFHLTTASA-N 309.793 3.732 0 40 DHAB CCC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@@H]1c1ccccc1 1593598 NFOFODLZYVUMFC-TZIWHRDSSA-N 323.436 3.954 0 40 DHAB CC(C)CCCCCCOc1ccc([C@@H]2NC(=O)NC2=O)cc1 2295626 FXOMRFUMFFCVGS-INIZCTEOSA-N 318.417 3.552 0 40 DHAB CCCOc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O 2716361 NPINFJFSVWDVTG-UHFFFAOYSA-N 313.372 3.813 0 40 DHAB Cc1cc(Oc2ccc(C(=O)O)cc2)nc(-c2ccccc2O)n1 3139905 HWJJBGPUJFCJOS-UHFFFAOYSA-N 322.320 3.648 0 40 DHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1F 3176144 DRHCPEMGRJKTQJ-VQIMIIECSA-N 324.399 3.582 0 40 DHAB C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104651 XLHAVSYGJGEONL-QWLKJYMTSA-N 318.457 3.528 0 40 DHAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1O 4279749 QGKDSCOHAXKLQP-RMKNXTFCSA-N 303.745 3.706 0 40 DHAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc21 4943291 PPNRSCSNOMKYNH-GFCCVEGCSA-N 301.773 3.697 0 40 DHAB Fc1cc(Br)ccc1OCc1cn2ccccc2n1 5173721 LPMNQLNORPMFKF-UHFFFAOYSA-N 321.149 3.815 0 40 DHAB Cc1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 5659539 AYKPBPAESHAZAB-UHFFFAOYSA-N 311.410 3.923 0 40 DHAB COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1C 6328601 KLVOVZYNDGFKSW-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB CC(C)c1ccc(-n2ccnc2S[C@H](C)C(=O)N(C)C)cc1 6933566 VLPQUXDFSGNXPB-CYBMUJFWSA-N 317.458 3.565 0 40 DHAB CCOC(=O)c1ccc(COC(=O)c2cccc(Cl)c2)cc1 6956275 QYSZYKLPAJHPRD-UHFFFAOYSA-N 318.756 3.874 0 40 DHAB Clc1cc(CSc2nncs2)cc2c1OCCCO2 7180542 QOKRSCRWVXPATE-UHFFFAOYSA-N 314.819 3.645 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 7195842 DXJBXOXMQWPRGV-NWDGAFQWSA-N 318.467 3.910 0 40 DHAB CCN1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1 7737655 SHNVVTVMFKEPPL-INIZCTEOSA-N 324.424 3.693 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 7918931 RLPHFIPECRSEMT-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB Cc1nc(C)c(C(=O)Nc2nnc(C3CCCCC3)s2)s1 7995453 WUSMGUAIOWGOHD-UHFFFAOYSA-N 322.459 3.911 0 40 DHAB O=C(Cc1ccc(F)cc1)OCc1cc(-c2ccccc2)on1 8066023 VGXLDSWULGJGGI-UHFFFAOYSA-N 311.312 3.767 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCCSc1ccccc1 8361140 PINHJBPKRFXLFG-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB Cc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1 8583012 VGYRPIDHIZEFMD-UHFFFAOYSA-N 307.401 3.504 0 40 DHAB CCc1n[nH]c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1 8734035 QUOWYRVAQCONQK-DKHPWKACSA-N 319.474 3.633 0 40 DHAB Cc1ccc(-c2nnc3ccc(NCc4ccccc4)nn23)cc1 9135056 OFQSJBVVHOXSPG-UHFFFAOYSA-N 315.380 3.712 0 40 DHAB CCc1ccc(NC(=O)Nc2c(O)c3ccccc3oc2=O)cc1 9607299 VHWKLUZYOPUDLQ-UHFFFAOYSA-N 324.336 3.705 0 40 DHAB CCc1nc2ccc(NC(=O)c3csc(C(C)=O)c3)cc2[nH]1 12116927 WWBNESLWDCWTTK-UHFFFAOYSA-N 313.382 3.642 0 40 DHAB CN(C)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 12523538 IKXWLLWERBSZJF-UHFFFAOYSA-N 306.312 3.606 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167603 NNCOWIDTUYGNEW-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB CCc1ccccc1-n1ncc2c1NC(=O)C[C@H]2c1ccccc1 14000811 GDKIIGDGQWWTBF-INIZCTEOSA-N 317.392 3.909 0 40 DHAB Cc1c(C(=O)Nc2ccc3nsnc3c2)oc2ccccc12 15841338 NTTUVBAZWWOAED-UHFFFAOYSA-N 309.350 3.998 0 40 DHAB Cc1ccsc1CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 16346567 DNTMWZRVBNXDIU-GJZGRUSLSA-N 316.470 3.754 0 40 DHAB CCCN(C[C@H](C)O)C(=S)Nc1ccc(Cl)c(Cl)c1 19691516 VPEAXOGUFMJYIQ-VIFPVBQESA-N 321.273 3.783 0 40 DHAB Cc1cc(C(=O)CN2CCc3sccc3C2)c(C)n1C1CC1 22277726 TXEHXTYKVAKEEM-UHFFFAOYSA-N 314.454 3.742 0 40 DHAB COc1ccc(CN(C)C(=O)c2cc(Cl)ccc2OC)cc1 23602852 WQLICZAPAMTUND-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB Cc1cc2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc2[nH]1 31721942 HTRITZPPKRJCCQ-UHFFFAOYSA-N 314.410 3.894 0 40 DHAB COCCNC(=O)c1sc2cccc(Cl)c2c1Cl 32647869 PSDGEJCCFZCPEJ-UHFFFAOYSA-N 304.198 3.584 0 40 DHAB Cc1ccc(-c2csc(-c3c(C)c(C)nn(C)c3=O)n2)s1 32808904 IJOJZENONLZIDX-UHFFFAOYSA-N 317.439 3.558 0 40 DHAB COc1cc(C(=O)c2ccc(Cl)cc2)cc(OC)c1OC 37357949 WJQPUBWELGCSRR-UHFFFAOYSA-N 306.745 3.597 0 40 DHAB O=C1C[C@H](C(=O)Nc2nc(-c3ccco3)cs2)c2ccccc21 38671309 ZRAYMIPMRQGFOX-LBPRGKRZSA-N 324.361 3.712 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2cn(C)c3ccccc23)cn1 40146767 XELLAAXHZHFVAR-UHFFFAOYSA-N 322.412 3.672 0 40 DHAB C[C@@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccccc1F 40466243 SNJVKNOEWGMTSS-LLVKDONJSA-N 315.323 3.866 0 40 DHAB Cc1ccoc1C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 49590327 URDLNCYCRPGSQA-HNNXBMFYSA-N 311.385 3.982 0 40 DHAB CC(C)n1cnnc1SCc1coc(-c2cccs2)n1 58149561 FPHXHRMBFONROM-UHFFFAOYSA-N 306.416 3.868 0 40 DHAB COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C1CC1 58379933 CZHKFZRJMBRGQK-ZDUSSCGKSA-N 324.218 3.531 0 40 DHAB C[C@@H]1CCCCN1Cn1nc(COc2ccccc2)oc1=S 59484591 BIAIHEFHPTUILN-CYBMUJFWSA-N 319.430 3.616 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cnn(Cc3ccncc3)c2)C1(C)C 65566162 XNUZINIUJVYDOW-IAGOWNOFSA-N 324.428 3.503 0 40 DHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1F)c1c(C)noc1C 65608461 SCOWBQMCSHTENA-NOZJJQNGSA-N 322.355 3.941 0 40 DHAB OC1=Nc2ccsc2[C@@H](c2ccc3c(c2)OCCO3)SC1 71282881 MJIIGMHNOSUYMF-CQSZACIVSA-N 319.407 3.944 0 40 DHAB COc1cc(NC(=S)Nc2cc(F)cc(F)c2)cc(OC)c1 71760964 FIRBVVLFBLINSY-UHFFFAOYSA-N 324.352 3.791 0 40 DHAB COc1cccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)c1 71831345 AZXPKJXHOOBHTQ-OAHLLOKOSA-N 324.424 3.673 0 40 DHAB Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1Cl 72217765 QLYZHJGPZUDVCW-UHFFFAOYSA-N 312.797 3.531 0 40 DHAB C[C@H](c1ccc2c(c1)OCCCO2)N(C(=O)C1CCC1)C1CC1 72274682 ZIVMREZHURZKON-CYBMUJFWSA-N 315.413 3.700 0 40 DHAB COC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 78401082 KXONDNSMLKQOIH-UHFFFAOYSA-N 314.728 3.844 0 40 DHAB CCn1cc(NC(=O)c2cccc(-c3csc(C)n3)c2)cn1 79537590 TWJNGKWFGVHUGH-UHFFFAOYSA-N 312.398 3.587 0 40 DHAB CC(C)S(=O)(=O)c1ccc(Br)c2ccccc12 85395085 ZCZDXTXLEXJGCF-UHFFFAOYSA-N 313.216 3.784 0 40 DHAB OCc1ccc2cc(Br)c(Br)cc2c1 91297171 HENVDODEQIACJU-UHFFFAOYSA-N 315.992 3.857 0 40 DHAB Fc1ccc(C2CC(N[C@@H]3CCO[C@@]4(CCSC4)C3)C2)cc1 97084852 XNCHQZOMGUYQMN-CCRGXQTGSA-N 321.461 3.716 0 40 DHAB COC(=O)C(C)(C)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223206798 PADLCJHLFSFDEZ-LBPRGKRZSA-N 305.418 3.739 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(C)C)cc2)c1 223748126 QAJXSPAGUGLLEK-UHFFFAOYSA-N 317.454 3.905 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(COC)c1 224449751 UVULFPPOEBLBLT-KRWDZBQOSA-N 317.360 3.768 0 40 DHAB CCN(C(=O)[C@@H]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 252491459 LMXUXYXCQXIPQU-NWDGAFQWSA-N 315.335 3.873 0 40 DHAB Cc1ccc(-c2ccc(C(=O)NCc3ccco3)c(C)n2)cc1 257173185 FXRHOIJYMBEMBW-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB Cc1c(-c2ccccc2)nn2c(=O)cc(-c3ccccc3)[nH]c12 408951113 LISJVMNMBJABKO-UHFFFAOYSA-N 301.349 3.665 0 40 DHAB CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CCC(=O)C1 568515798 FUQPWCGKNHJIBZ-INIZCTEOSA-N 307.393 3.681 0 40 DHAB COc1cc(C)c([C@H](C)Nc2nccc3nccnc23)cc1OC 585114046 ZHZFVCQTCMEMMF-LBPRGKRZSA-N 324.384 3.524 0 40 DHAB c1ccc2oc(N3CCC[C@H](COc4ccncc4)C3)nc2c1 1888885393 CUURSVKAXDRCSI-AWEZNQCLSA-N 309.369 3.518 0 40 DHAB O=C(Oc1cccc2cccnc12)c1ccc(Br)o1 290850 WCOZMLGAPDRORT-UHFFFAOYSA-N 318.126 3.810 0 40 DHAB Cc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1C 360641 PGERPMXRDQQWCS-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB CCOc1cc(/C=C2/SC(=S)N=C2O)cc(Cl)c1O 1001299 HKVQFQDFGYGDCE-WEVVVXLNSA-N 315.803 3.773 0 40 DHAB Cc1ccc(C)c([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2)c1 1101794 WWIKTEYXOLBIJN-KRWDZBQOSA-N 318.376 3.849 0 40 DHAB COC(=O)Cc1sc(-c2ccccn2)nc1-c1ccccc1 1384293 JVWOYNRSVWDLHH-UHFFFAOYSA-N 310.378 3.588 0 40 DHAB O[C@@](c1ccccc1)(c1cccnc1)C(F)(F)C(F)(F)F 2528692 PWLIVSVFFVIWFP-LBPRGKRZSA-N 303.230 3.515 0 40 DHAB COc1ccc(-c2ccccc2)cc1I 2571865 GTVZVAJPVTXFGM-UHFFFAOYSA-N 310.134 3.967 0 40 DHAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1Cl 2658115 DIQYGWPJPMZFIN-UHFFFAOYSA-N 324.163 3.652 0 40 DHAB Cc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCC3)cc1 2966459 CGUMXROHAWDPNA-OAQYLSRUSA-N 321.444 3.564 0 40 DHAB CCCCCCN1C(=O)c2ccc(Br)cc2C1=O 2968467 ATPNNTQMUDOFML-UHFFFAOYSA-N 310.191 3.625 0 40 DHAB CCc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1F 3323161 LOXPIYUNAUUKHU-UHFFFAOYSA-N 314.404 3.767 0 40 DHAB Cc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 3334495 ZHKWAQVPDVLTLL-UHFFFAOYSA-N 309.394 3.617 0 40 DHAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 4266009 VUHSOOSOELYTDU-UHFFFAOYSA-N 304.393 3.977 0 40 DHAB Cc1nc(C)c(-c2ccc(SCc3ccccn3)nn2)s1 4272443 RHPCDGHUZXTKDG-UHFFFAOYSA-N 314.439 3.904 0 40 DHAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1cccc(O)c1 5376203 AHJIQJXZBMUXEN-ZSOIEALJSA-N 315.325 3.772 0 40 DHAB CCCNc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1 5427971 ZOFMCGGSIQHTQG-UHFFFAOYSA-N 307.401 3.768 0 40 DHAB COc1cc2nc(Cl)nc(N3CCC(C)CC3)c2cc1OC 6202767 ONGQQOFEHLSRHS-UHFFFAOYSA-N 321.808 3.537 0 40 DHAB CCNc1nnc(SCCCC(=O)c2cccs2)s1 7247806 ZELOJFLOOJPZFJ-UHFFFAOYSA-N 313.473 3.787 0 40 DHAB CCOCc1cc(C(=O)Nc2ccccc2F)ccc1OC 7947021 BRGKZRGSHQFQHX-UHFFFAOYSA-N 303.333 3.623 0 40 DHAB O=C(CCn1ccc2ccccc21)Nc1ccc(F)c(F)c1 8077377 XYIOEORBOKVHQI-UHFFFAOYSA-N 300.308 3.948 0 40 DHAB C[C@H](C(=O)Nc1cccnc1Cl)N1CCCc2ccccc21 8119095 WVKOUJSOIQSLSJ-GFCCVEGCSA-N 315.804 3.515 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 8280666 HBMLIQJWCOUHGV-CQSZACIVSA-N 305.381 3.910 0 40 DHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 8959227 AHVGEDLAWQWBTC-UHFFFAOYSA-N 324.380 3.604 0 40 DHAB CCOc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 10221331 VDUIWSJFTGMSBO-UHFFFAOYSA-N 309.409 3.937 0 40 DHAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(F)cc1F 10221336 LYTARGKOONOMHO-UHFFFAOYSA-N 301.336 3.817 0 40 DHAB CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cc(C)ccc1C 10761470 HCUJYMOMHQZYSI-UHFFFAOYSA-N 318.394 3.582 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3c4c(cccc24)CC3)on1 11037734 HWVNWEJJKFGVEV-LBPRGKRZSA-N 321.380 3.674 0 40 DHAB CCCCOc1ccccc1CN1C(=O)C(=O)c2ccccc21 11612337 HEDJOGSZXGLQKQ-UHFFFAOYSA-N 309.365 3.595 0 40 DHAB O=C(c1ccccc1Br)N1CCc2sccc2C1 12215378 MHTKQJJNBVCFLB-UHFFFAOYSA-N 322.227 3.709 0 40 DHAB Cc1ccc(CNC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12776718 MJRRNUSLXVGLJE-UHFFFAOYSA-N 321.380 3.647 0 40 DHAB COc1cccc(NC(=O)N[C@@H](C)c2ccccc2OC)c1 13048106 XEEIVRDHLZANNO-LBPRGKRZSA-N 300.358 3.587 0 40 DHAB Cc1noc(C)c1CC(=O)N(C)Cc1ccc2ccccc2c1 14118921 WUNWZOLVEGMEOJ-UHFFFAOYSA-N 308.381 3.646 0 40 DHAB c1ccc2c(c1)OCCCOc1ccccc1OCCCO2 15222760 SVJYFWHFQPBIOY-UHFFFAOYSA-N 300.354 3.696 0 40 DHAB O=C(CCC1CCCC1)Nc1cc(Cl)ccc1-n1cncn1 15321597 LKUKVNOMKAPEGN-UHFFFAOYSA-N 318.808 3.830 0 40 DHAB COc1ccccc1NC(=O)CSCc1ccc(C)cc1 16030656 XPEPYVMLJCUBQT-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1 16129934 AXRXMXCRFIOWGG-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB CC1(C)CC(O)CC(C)(C)N1C(=O)Nc1ccc(Cl)cc1 16577742 FQLOXIHFMYTYAE-UHFFFAOYSA-N 310.825 3.886 0 40 DHAB CCONC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 17821451 UPZLJZFSYMXLCR-UHFFFAOYSA-N 306.365 3.892 0 40 DHAB Cc1cc(C)c2c(c1)Cc1c(ccc3c1CCCC3)S2(=O)=O 18194212 DYPGHUYVHMTNIX-UHFFFAOYSA-N 312.434 3.919 0 40 DHAB COc1cc(C(=O)NCCSc2ccccc2)ccc1C 18214761 ULQORXAPYDLPMH-UHFFFAOYSA-N 301.411 3.526 0 40 DHAB COc1ccccc1[C@H]1S[C@H](C)C(=O)N1c1ncc(C)s1 19927597 JBPMMIZVSMMQRM-QMTHXVAHSA-N 320.439 3.627 0 40 DHAB CCOc1ccc(CCNC(=O)c2ccsc2)cc1OCC 22634856 GIKLAJFBDZCAPZ-UHFFFAOYSA-N 319.426 3.518 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1cc2ccccc2o1 23056067 WOMKQDOVMRBLCK-NSHDSACASA-N 321.336 3.907 0 40 DHAB C[C@H](Nc1nc2ccccc2s1)C(=O)N1CCc2ccccc21 26456727 IPZLBTIZTIKGGK-LBPRGKRZSA-N 323.421 3.686 0 40 DHAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1 27915857 OCHGZSSXASSKEB-KSSFIOAISA-N 311.381 3.776 0 40 DHAB O=C(O)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 32918492 WWZKZGQFYDLDPF-UHFFFAOYSA-N 310.284 3.773 0 40 DHAB CC(C)(C)OC(=O)C[C@@H](CC1CCCC1)C(=O)N1CCCCC1 33996796 TXSOKKPOIULNCO-MRXNPFEDSA-N 323.477 3.927 0 40 DHAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 36620987 ZJLYGYBJNAHLEH-QGZVFWFLSA-N 301.411 3.521 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cn1 36759506 XXNHQTQXJHYGFZ-UHFFFAOYSA-N 323.318 3.727 0 40 DHAB CCCCN(CCCC)C(=O)Nc1ccccc1-n1cncn1 40104738 PXZYIUVSQCVFPF-UHFFFAOYSA-N 315.421 3.701 0 40 DHAB Fc1ccc(Nc2nc(-c3ccc4c(c3)OCO4)cs2)nc1 49006103 HBCWWGSMHSVMCU-UHFFFAOYSA-N 315.329 3.817 0 40 DHAB CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 52909017 QYAFRCMFVMQMNS-UHFFFAOYSA-N 324.852 3.829 0 40 DHAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccnc2ccccc12 58047204 DBSKXYVDTGFFSD-GOSISDBHSA-N 321.405 3.994 0 40 DHAB Cc1cn2cc(NC(=O)C3(c4ccc(F)cc4)CCC3)ccc2n1 58417800 NAANWBHBQWWACG-UHFFFAOYSA-N 323.371 3.842 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1OCCO2 60135307 JAVDMGUBEXUDIH-UHFFFAOYSA-N 307.708 3.503 0 40 DHAB Cc1cnn(C[C@@H]2CCCCN2Cc2ncc(C(C)(C)C)o2)c1 69706117 ONFGSERZOPDNQR-HNNXBMFYSA-N 316.449 3.532 0 40 DHAB CSc1ccc(Cl)c(C(=O)NCC[C@H](O)C(C)(C)C)c1 72242746 BGXIJEMPPYSAKW-ZDUSSCGKSA-N 315.866 3.589 0 40 DHAB CCc1csc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 72282201 KAYGOYRMFZACJN-KBPBESRZSA-N 304.459 3.768 0 40 DHAB c1ccc(CN2CCC(c3cccc(-n4ccnc4)n3)CC2)cc1 72379093 IBGYHRXKGSVRAJ-UHFFFAOYSA-N 318.424 3.647 0 40 DHAB CCSc1nnc(SCCc2scnc2C)s1 73968859 HWEUZNYOZVFXKN-UHFFFAOYSA-N 303.503 3.750 0 40 DHAB CO[C@H](C)c1nc(COc2cc(C)ccc2C(C)=O)cs1 75092181 OYBLNENHIWGJIB-GFCCVEGCSA-N 305.399 3.941 0 40 DHAB CCC(C)(C)NC(=O)Nc1ccc(Br)cc1F 76093902 ZGHQADUFTFRBRL-UHFFFAOYSA-N 303.175 3.898 0 40 DHAB CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(OC)cc1 80344795 PWOJZHNBNNOTFS-MRXNPFEDSA-N 313.397 3.591 0 40 DHAB O=C(Nc1ccccc1O)c1c[nH]nc1-c1cccc(Cl)c1 88281115 AFDJGYWLSMWLBK-UHFFFAOYSA-N 313.744 3.688 0 40 DHAB Cc1noc([C@@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)n1 89718523 DDARGRTXHGLUDN-GFCCVEGCSA-N 308.385 3.710 0 40 DHAB Fc1cccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)c1 89774847 CEBWAENNPFGPAS-LBPRGKRZSA-N 302.349 3.573 0 40 DHAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCn2ccnc2C1 89851167 AIQFWXLPJFNNER-KRWDZBQOSA-N 317.392 3.751 0 40 DHAB CCOCCCn1c(CCCC(=O)O)nc2cccc(Cl)c21 95095670 JIOCIRMZDRXIMY-UHFFFAOYSA-N 324.808 3.524 0 40 DHAB C[C@H]1CCN(C(=O)CCCSC(C)(C)C)C[C@@H]1n1ccnc1 95436203 CKIQXHIHUYRKBJ-GJZGRUSLSA-N 323.506 3.605 0 40 DHAB Cc1cnc(COc2cccc(CNC(=O)OC(C)(C)C)c2)o1 95961910 ZBSAITIUIWEKRH-UHFFFAOYSA-N 318.373 3.587 0 40 DHAB CCc1nc(CN[C@H](CC)c2ccc3c(c2)CCO3)cs1 95967821 XIHOGKHIUCXPKI-OAHLLOKOSA-N 302.443 3.881 0 40 DHAB COC[C@H]1COCCC12CCN(Cc1ccccc1Cl)CC2 96106327 DUJXOAQVUZSHNP-INIZCTEOSA-N 323.864 3.605 0 40 DHAB O=c1c(O)c(-c2ccccc2OC(F)F)oc2ccccc12 96118955 HCAPPWCGOGUETH-UHFFFAOYSA-N 304.248 3.767 0 40 DHAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccncc2)s1 96119220 FDJZISQDGSFSKM-UHFFFAOYSA-N 323.421 3.752 0 40 DHAB CO[C@H]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)C1 96122200 XYOPAWMWUKEQPU-UBIUBJKMSA-N 322.408 3.564 0 40 DHAB CCCCSCCC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 96416404 HPBYDSMEZJRXLE-ZDUSSCGKSA-N 322.474 3.746 0 40 DHAB CC(C)C(=O)Nc1cccc(N[C@H](C)c2cncc(F)c2)c1 96494565 BDPKNBJAIFLYGT-GFCCVEGCSA-N 301.365 3.988 0 40 DHAB C[C@H](c1ccccc1)N1CCCN(C(=O)c2ccccc2)CC1 97132245 JMBDWKKGOUZKHY-QGZVFWFLSA-N 308.425 3.596 0 40 DHAB CCS[C@@H]1CC[C@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C1 108371648 LMJQIDCAWGDGFR-VHDGCEQUSA-N 318.490 3.671 0 40 DHAB O=C(c1ccoc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219325056 GTJHOZCOCNXTNQ-HNNXBMFYSA-N 323.364 3.878 0 40 DHAB CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1OC(=O)c2ccccc21 225810362 WBTFUDVCQUROJX-QGZVFWFLSA-N 321.332 3.604 0 40 DHAB COC(=O)c1cccc(NC(=S)NC2(C(C)C)CCCC2)c1 225862915 KIHLNRLHICHGEY-UHFFFAOYSA-N 320.458 3.728 0 40 DHAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)CC(C)C)c1 226351980 YBAUFUHLMXXDLZ-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccnc(Cl)c2)C1 257230003 GAHYRNWKYZORGC-CYBMUJFWSA-N 310.825 3.925 0 40 DHAB CC(C)n1c([C@@H](C)NC(=O)CC2CSC2)nc2ccccc21 585141130 PSMPJADTCPMMNO-GFCCVEGCSA-N 317.458 3.548 0 40 DHAB O=C(NC[C@@H]1CCCO1)c1c(Cl)ccc(Cl)c1Cl 118366 IUAUFJUKGHMPBV-ZETCQYMHSA-N 308.592 3.556 0 40 DHAB CCSc1ncnc2c(-c3ccc(OC)cc3)nsc12 902787 PDMHONKPECTGQA-UHFFFAOYSA-N 303.412 3.874 0 40 DHAB S=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 1652396 QTSOPXNYURBTDB-UHFFFAOYSA-N 321.449 3.666 0 40 DHAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](CCc3ccccc3)[C@@H]1[C@@H]2C 2124463 XWHWCKHMKQSYBV-CZKCSJLSSA-N 300.442 3.845 0 40 DHAB biogenic CC(C)C(=O)NC(=S)Nc1ccc(Nc2ccccc2)cc1 2137011 XULVSXQZUDMEDT-UHFFFAOYSA-N 313.426 3.899 0 40 DHAB CN(CCOC(=O)c1cc(Cl)ccc1Cl)C(C)(C)C 2212646 GLLQRUYVYGGERV-UHFFFAOYSA-N 304.217 3.881 0 40 DHAB C[C@H]1CCCCN1C[C@H](O)COc1ccccc1C(C)(C)C 3865349 BXGXPPXTLUSKMR-HOTGVXAUSA-N 305.462 3.598 0 40 DHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)C(Cl)(Cl)Cl 5528153 WDJYMDYAODEKIA-SSDOTTSWSA-N 310.583 3.864 0 40 DHAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccccc1 5773413 AEQIOIREQMNYAO-UHFFFAOYSA-N 303.789 3.815 0 40 DHAB C[C@H](OC(=O)c1ccc2ccccc2c1O)C(=O)c1ccccc1 5911873 PHEVCUJHFYHMKR-ZDUSSCGKSA-N 320.344 3.974 0 40 DHAB COc1ccc(CSC(=S)NNc2ccccc2)cc1 6411215 QSJCLNAUKCSFHK-UHFFFAOYSA-N 304.440 3.830 0 40 DHAB CCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCO2 8231722 WMHGCJDLLUXTLQ-UHFFFAOYSA-N 319.744 3.720 0 40 DHAB O=Cc1cn(Cc2ccccn2)c2ccc(Br)cc12 8702312 FVXCUXYHGCYLPI-UHFFFAOYSA-N 315.170 3.660 0 40 DHAB CC[C@@H](CCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O 8739007 ZHOYHGKJOTWIGC-NSHDSACASA-N 318.398 3.640 0 40 DHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 8767356 AMBOTYQGZMFWEO-UHFFFAOYSA-N 322.286 3.916 0 40 DHAB CSc1ccc(C(=O)CCC(=O)NC2CCCCC2)cc1 9578140 KAEMZXONZCWFJH-UHFFFAOYSA-N 305.443 3.820 0 40 DHAB O=C(Nc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1)c1ccco1 11534620 PYAZUOJMPHAHHE-HNNXBMFYSA-N 324.380 3.504 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CCc2ccccc2Cl)c1 12138418 QODSJHONPXWBOT-UHFFFAOYSA-N 316.788 3.870 0 40 DHAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1F 12569490 PESSEAPITHCXEV-UHFFFAOYSA-N 319.336 3.572 0 40 DHAB COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 13649344 CNECLTJSULZNJH-MRXNPFEDSA-N 311.381 3.727 0 40 DHAB S=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2 13790716 WVEBVYOXGIJPLM-UHFFFAOYSA-N 320.801 3.920 0 40 DHAB Cc1nn(C)c2sc(C(=O)Nc3ccc(F)cc3Cl)cc12 14262341 MTYWUEVBBXNSSA-UHFFFAOYSA-N 323.780 3.988 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)C1CC1 18208058 BGMPDRMGGLVIGR-SECBINFHSA-N 304.390 3.786 0 40 DHAB COc1ccc([C@@H](C)NC(=O)c2ccc(F)c(F)c2F)cc1 20029696 RAULGDFNRPTPMX-SECBINFHSA-N 309.287 3.604 0 40 DHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(F)cc1 22087902 OMHGJVKAVRNUOF-UHFFFAOYSA-N 321.355 3.752 0 40 DHAB CCC[C@H](C)NC(=O)COc1ccc(Oc2ccccn2)cc1 29247274 SCYIIINNXUXQGN-AWEZNQCLSA-N 314.385 3.558 0 40 DHAB O=C(COc1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1 32071629 DGVZLFUASYDACZ-UHFFFAOYSA-N 320.392 3.738 0 40 DHAB Nc1oc(-c2ccccc2)nc1-c1nnc(-c2ccccc2)o1 35681790 HOOXSAKLFFGPML-UHFFFAOYSA-N 304.309 3.641 0 40 DHAB Fc1ccc(-c2nnc3sc(-c4ccsc4)nn23)cc1F 36360641 LQXBDVFGGXQUKW-UHFFFAOYSA-N 320.349 3.860 0 40 DHAB Nc1ccc(Sc2nc3ccccc3s2)c(C(=O)O)c1 37933695 ANAUHAUHXBVWRN-UHFFFAOYSA-N 302.380 3.728 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)no1 42673751 PAXFHIDOHSYUBC-ZETCQYMHSA-N 317.147 3.920 0 40 DHAB FC(F)(F)c1ccc(Cn2cc(Br)cn2)cc1 43501773 HLKXNRCHDNVDPJ-UHFFFAOYSA-N 305.097 3.713 0 40 DHAB in-vitro CCOc1cccc(CNC(=S)Nc2ccc(C)cc2)c1 44155655 JCMREQGFVCHOJZ-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CN(Cc1nnc(C(C)(C)C)o1)Cc1nc2ccccc2s1 46837959 CJJXGRMWJPFRAP-UHFFFAOYSA-N 316.430 3.609 0 40 DHAB CCN(C(=S)NC[C@@H]1CCCO1)c1ccc2ccccc2c1 50251790 JQVHFGPTQAKDNP-KRWDZBQOSA-N 314.454 3.720 0 40 DHAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3csc(C)n3)C2)cc1 50767734 FZRSVXXNSZLPLD-INIZCTEOSA-N 314.454 3.855 0 40 DHAB O=C1CCc2cc(OCc3coc(-c4ccccc4)n3)ccc2N1 58017011 TWABMZYGSYJRKG-UHFFFAOYSA-N 320.348 3.805 0 40 DHAB Cc1nc(CSc2nnc(-c3ccc(F)cc3)o2)oc1C 58167195 DOVUATRNTKQZNY-UHFFFAOYSA-N 305.334 3.773 0 40 DHAB COc1ccccc1-c1nc(C(=O)N(C)CCC(C)C)cs1 58676974 MCNYZLGQBDOOQS-UHFFFAOYSA-N 318.442 3.937 0 40 DHAB Cc1ccc(-c2nnc(S[C@@H](C)c3nnc(C)o3)o2)c(C)c1 66260441 URDBDROCPOSZOJ-JTQLQIEISA-N 316.386 3.898 0 40 DHAB Cc1cnc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)cn1 69950383 UNPYOGLONLUMKF-LJQANCHMSA-N 306.413 3.994 0 40 DHAB Cc1ccc(OCc2cccc(C(=O)Nc3cc(C)on3)c2)cn1 74688426 SUZADVVRTKWPTL-UHFFFAOYSA-N 323.352 3.518 0 40 DHAB CCSc1ccc(Cl)cc1C(=O)NC[C@@H](C)C[C@H](C)O 84301805 WFIPATHMMXZWDC-QWRGUYRKSA-N 315.866 3.589 0 40 DHAB O[C@@H](CN(Cc1ccccc1)Cc1ccccn1)c1cccs1 84535721 XSLAKBUJIXDNHQ-SFHVURJKSA-N 324.449 3.879 0 40 DHAB O=C(NCc1ccc(-c2ccccc2)o1)[C@H]1C[C@H]1c1ccco1 84562710 OSSRJIQUNQOCDX-CVEARBPZSA-N 307.349 3.960 0 40 DHAB Cc1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@H]2N 91302965 UQMQQMHXXSGSRR-OAHLLOKOSA-N 316.445 3.667 0 40 DHAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccc(F)cc2)n1 96296222 RIBQUYVWOYJIMD-HNNXBMFYSA-N 318.392 3.685 0 40 DHAB biogenic,in-vitro Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c2ccccc2n1 96403397 FMOVVNFHEQFPDB-QGZVFWFLSA-N 320.396 3.634 0 40 DHAB C[C@@H](Nc1ccnc2cc(F)ccc12)c1nnc2ccccn12 96453385 AZGGBMAROJNJFU-LLVKDONJSA-N 307.332 3.590 0 40 DHAB CC(=O)Nc1cc(-c2nc(C3CC3)no2)cc(C(F)(F)F)c1 96471667 HEUPIOLLXRUMST-UHFFFAOYSA-N 311.263 3.591 0 40 DHAB COc1ccccc1CC(C)(C)NC(=O)CC1CCSCC1 96474961 JIPPXKYIXVIFGQ-UHFFFAOYSA-N 321.486 3.666 0 40 DHAB CC1CCC(CN(C)C(=O)NC[C@@H]2CCO[C@H]2C(C)C)CC1 97012056 OOGQGRLYLLMNAG-GQGLESIBSA-N 310.482 3.515 0 40 DHAB CCNc1ccc(Cl)cc1NC(=O)CCc1c(C)n[nH]c1C 97048569 YQWYXCJRUOKXHZ-UHFFFAOYSA-N 320.824 3.683 0 40 DHAB CC[C@H](NCc1cc(C)on1)c1nc(C(F)(F)F)cs1 97111020 XNHGGISNSMEALC-VIFPVBQESA-N 305.325 3.699 0 40 DHAB C[C@H]1CCCCN1[C@H](C)CNC(=O)Nc1ccccc1Cl 109033212 ABHNPODXJCZBLA-QWHCGFSZSA-N 309.841 3.724 0 40 DHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(F)cc1 113970249 SECDUTGFMUYRSX-SFHVURJKSA-N 315.388 3.916 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 222437822 JYMVMKPGYLWTLT-XRQSXFTLSA-N 313.397 3.662 0 40 DHAB COc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1 225546523 WVGFDTHRHFHFFR-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225637198 KANDUDJZKWZKFZ-UGSOOPFHSA-N 305.418 3.928 0 40 DHAB CCOc1ccc(NC(=O)c2conc2-c2ccccc2)cc1 225871515 MLYKPAJNWZSBFN-UHFFFAOYSA-N 308.337 3.993 0 40 DHAB CCc1cccc(NC(=O)NC(C)(C)c2nc(C)no2)c1CC 252491845 LWZYTACLOYOOGC-UHFFFAOYSA-N 316.405 3.560 0 40 DHAB Cn1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@@H]23)cn1 575410724 CHFCTMPBKHIQNO-VBNZEHGJSA-N 303.793 3.708 0 40 DHAB O=C1CC[C@H](C(=O)Nc2cncc3ccccc23)c2ccccc21 576415205 UMKXIHHFMVXOAO-KRWDZBQOSA-N 316.360 3.934 0 40 DHAB COc1ccc(OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 201790 LSJKRVRGKCUGDL-AUUYWEPGSA-N 317.429 3.501 0 40 DHAB Cc1cc(C(C)(C)C)oc1C(=O)Nc1cccc(C(=O)O)c1 269385 CNSLBTXAYZHGIH-UHFFFAOYSA-N 301.342 3.836 0 40 DHAB Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 483690 OIIOXKRFDWSDPU-CYBMUJFWSA-N 319.401 3.664 0 40 DHAB CCn1cc(/C=C/C(=O)NCc2ccc(Cl)c(Cl)c2)cn1 1019026 TWLYZWMCQZGWOM-GQCTYLIASA-N 324.211 3.539 0 40 DHAB O=C(Nc1ccccc1)Nc1nnc(Cc2ccccc2)s1 1244403 VSBFCRHIGBHQTI-UHFFFAOYSA-N 310.382 3.773 0 40 DHAB CCOC(=O)c1ccccc1C(=O)CCc1ccc(F)cc1 2517377 DTMCJPBGKBMXOS-UHFFFAOYSA-N 300.329 3.818 0 40 DHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1cccc3ccccc13)C2=O 2660700 IOWSGUMNTHCMGS-XOBRGWDASA-N 322.408 3.841 0 40 DHAB Cc1cc(C)c(OC[C@@H](O)CN[C@H](C)c2ccccc2)c(C)c1 3194188 CITKQVBWORSVBS-MJGOQNOKSA-N 313.441 3.702 0 40 DHAB C[C@@]1(C(=O)OCc2nc3ccccc3s2)CC1(Cl)Cl 3273911 FNEQPYSVJSPUMA-LBPRGKRZSA-N 316.209 3.923 0 40 DHAB Clc1cccc(Cl)c1COc1ccc(-n2cnnn2)cc1 3371798 DSNSVTZWUFOBCU-UHFFFAOYSA-N 321.167 3.548 0 40 DHAB CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 3550657 NALCIPROIHSLLW-UHFFFAOYSA-N 315.398 3.507 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)c1n[nH]c2c1CCCCC2 4625993 RFBXEVVUGXBFPU-UHFFFAOYSA-N 323.318 3.950 0 40 DHAB COc1ccc(Cc2nnc(/C=C/c3ccccc3OC)o2)cc1 4657191 JDRKHYJGEQWCDA-FMIVXFBMSA-N 322.364 3.848 0 40 DHAB CC(C)(C)c1ccccc1OCC(=O)NCCc1ccccc1 5380115 IDHOOCBHZOCSEK-UHFFFAOYSA-N 311.425 3.722 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc(C(F)(F)F)c1 6650184 IJHCLLOUUQDGTM-FZMZJTMJSA-N 315.335 3.779 0 40 DHAB O=C(CCc1ccccc1)OCC(=O)c1c[nH]c2ccccc12 7650964 ONDDWTWJRUWMDD-UHFFFAOYSA-N 307.349 3.527 0 40 DHAB Cc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1C 7685768 WMLRMMDSZPWLLK-UHFFFAOYSA-N 314.332 3.960 0 40 DHAB CC(=O)CSc1nc(-c2ccccc2)c2c(C)cc(C)nn12 7738512 TVTDPINZSQQPIJ-UHFFFAOYSA-N 311.410 3.694 0 40 DHAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccn1 7848017 DYXPGDMFXURZQA-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB O=C1c2ccccc2NC2(CCSCC2)N1C1CCCC1 8165816 HCQRRXZGDQSKJP-UHFFFAOYSA-N 302.443 3.720 0 40 DHAB CC(=O)c1c[nH]c(C(=O)OCc2ccc(Cl)cc2Cl)c1 8708490 ZLKTVMFTKIMYKK-UHFFFAOYSA-N 312.152 3.881 0 40 DHAB COc1ccc(C(=O)Nc2cc(Cl)ccc2F)c(OC)c1 9314777 LDTBYNMEYFURQC-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB O=C(Nc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1 9455970 BDTQMFHHDSGXDR-UHFFFAOYSA-N 316.307 3.566 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1O 9607145 ATWYWEGGJHXMMU-UHFFFAOYSA-N 306.365 3.738 0 40 DHAB COc1ccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cc1 9909040 YZIQOIZYJLIHKT-CXAGYDPISA-N 313.397 3.661 0 40 DHAB CCCCC1CCC(C(=O)O[C@H](C(N)=O)c2ccccc2)CC1 11670813 ZATFLXAYFZGMLE-PREGVCBESA-N 317.429 3.753 0 40 DHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccc(F)c1 14247051 ITGJGYDQKRNBGG-CQSZACIVSA-N 305.349 3.932 0 40 DHAB CCc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 14291455 BYIHEKXAMLDOAS-UHFFFAOYSA-N 309.818 3.844 0 40 DHAB CCOc1ccc(C(=O)Nc2nc(C)cs2)cc1OCC 15007760 UAZJGBFDBDTFGJ-UHFFFAOYSA-N 306.387 3.501 0 40 DHAB CN(C)C1(CNC(=O)Nc2cccc(Cl)c2)CCCCC1 18178869 URCGOXQMDBRSMP-UHFFFAOYSA-N 309.841 3.726 0 40 DHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2C[C@@H]2C)n1 19240130 OTODIUSYVOENSR-BIMULSAOSA-N 306.456 3.569 0 40 DHAB O=C1Oc2nc3ccccc3cc2CN1Cc1cccc(F)c1 19376299 DXEZFKSJXXOUKY-UHFFFAOYSA-N 308.312 3.889 0 40 DHAB CCCOc1cc(C(C)C)nc2cc(C3CCOCC3)nn12 19503814 LKKIHOWHCRNVSG-UHFFFAOYSA-N 303.406 3.536 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1N 20194953 LCSHXHOXWJDDJY-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cn1 23042385 RJDMKTPZYMUATR-UHFFFAOYSA-N 310.275 3.583 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(-c2ccccc2)n[nH]1 28245823 DCVHXBAJDUVRHX-UHFFFAOYSA-N 316.364 3.739 0 40 DHAB CCCn1c2c(c(SCc3ccc(C)cc3)nc1=O)CCC2 28287476 HHXPTSAOJJZSRD-UHFFFAOYSA-N 314.454 3.743 0 40 DHAB O=C(Cc1ccccc1F)Nc1cccc(Oc2cnccn2)c1 32817548 IHAQNRFXNILZEO-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB CC(C)OCCCNC(=O)c1sccc1-c1ccccc1 39976149 JQMXIBSKYCVCCN-UHFFFAOYSA-N 303.427 3.960 0 40 DHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc(Cl)c1 40107356 HXVWYMYOGZEZBI-UHFFFAOYSA-N 311.772 3.707 0 40 DHAB COc1cccc(CNC(=O)c2[nH]c3ccccc3c2Cl)c1 40144083 ZXEDYLCAAQOUAO-UHFFFAOYSA-N 314.772 3.760 0 40 DHAB C[C@H](Nc1nc2ccccc2o1)c1ccc2c(c1)CCC(=O)N2 40555556 ACGNGRADCVRLOG-NSHDSACASA-N 307.353 3.886 0 40 DHAB CC(C)(Cc1ccccc1)NC(=O)CCCOc1ccccc1 40621039 XYIPOUFSXZVYLI-UHFFFAOYSA-N 311.425 3.983 0 40 DHAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1Cl 41095119 GDLWIAPVJNGTBE-LBPRGKRZSA-N 309.818 3.688 0 40 DHAB O[C@@H](c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 42658093 VATOPGPWROYFDG-SFHVURJKSA-N 308.381 3.778 0 40 DHAB Cc1nc(C)c([C@@H](C)NC(=O)Nc2cccnc2Cl)s1 49210693 GDVQXNWIVDMRRP-MRVPVSSYSA-N 310.810 3.691 0 40 DHAB Cc1ccc([C@@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)s1 53213122 XTJDTUDGBTYUCK-SNVBAGLBSA-N 319.455 3.548 0 40 DHAB CC(C)Cn1ccnc1NC(=O)COc1ccc2ccccc2c1 58115316 UAGYNJNROXIENR-UHFFFAOYSA-N 323.396 3.710 0 40 DHAB Cc1cn2cc(NC(=O)Cn3c(C)cc4ccccc43)ccc2n1 58416940 CYBLIHGJJUOZNX-UHFFFAOYSA-N 318.380 3.545 0 40 DHAB CC1CCC(C)(NC(=O)c2ccn(-c3cccc(F)c3)n2)CC1 60338008 SBUJMGIBAZLQFA-UHFFFAOYSA-N 315.392 3.710 0 40 DHAB O=C(NCc1ccccc1CN1CCCCC1)c1cccs1 71806804 MLDDBXLGGBZYNN-UHFFFAOYSA-N 314.454 3.664 0 40 DHAB CC[C@@H](C)c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889948 UXHISJHHQFRYQY-GFCCVEGCSA-N 304.365 3.819 0 40 DHAB Cc1cc(I)ncc1SC(C)(C)C 72225996 HGDMIDXVRPWVRB-UHFFFAOYSA-N 307.200 3.885 0 40 DHAB COc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 72229474 LVHCIELHJLRMOV-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB C[C@@](O)(CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccco1 75156237 URWPVFPKTDOXIN-HXUWFJFHSA-N 321.376 3.584 0 40 DHAB O=Cc1cc2cc(Br)cc(Br)c2o1 83228801 JFVXVCJFPBOTLS-UHFFFAOYSA-N 303.937 3.770 0 40 DHAB COc1ccc(C2(CNC(C3CC3)C3CC3)CCOCC2)cc1 89438964 VRYDSIHOHTVANO-UHFFFAOYSA-N 315.457 3.522 0 40 DHAB Cc1ccc(-c2nc(N3CCCC3)sc2CC(=O)O)c(C)c1 95097112 GREYQXMUMZFAOD-UHFFFAOYSA-N 316.426 3.654 0 40 DHAB Cc1nc(CNC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)oc1C 95434390 STCXTPSINCTZNT-BDJLRTHQSA-N 313.401 3.729 0 40 DHAB Cc1cc([C@H](C)NCC(=O)NCC2CCCCC2)c(C)s1 95462576 VOBYNFDRATZYDZ-ZDUSSCGKSA-N 308.491 3.712 0 40 DHAB O=C(c1c(O)cc(Cl)cc1Cl)N1CCC2(CCC2)C1 95965539 DGXBFJCZWBOKKO-UHFFFAOYSA-N 300.185 3.715 0 40 DHAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)[C@H]1CC=CCC1 96104093 XJGSECHIXSHMDM-HNNXBMFYSA-N 313.445 3.848 0 40 DHAB Cc1cccc([C@H](C)CNC(=O)N(C)[C@H](C)c2ccncc2)c1 96421643 KFLABRZNZDONGO-HZPDHXFCSA-N 311.429 3.896 0 40 DHAB C[C@@H](CNC(=O)N[C@@H](C)c1ccccn1)Sc1ccccc1 96437625 CDPSDRUVUNYBNR-KBPBESRZSA-N 315.442 3.623 0 40 DHAB COc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1O 96662853 GOUGPEAKCWATNI-GHXNOFRVSA-N 301.729 3.547 0 40 DHAB C[C@@H](N[C@H](C)c1nc(-c2cccs2)no1)c1ccncc1 97370702 YOOJAUVNNRCMJE-GHMZBOCLSA-N 300.387 3.605 0 40 DHAB Cc1cc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)on1 194542564 RORDOWFIYJPIBU-UHFFFAOYSA-N 323.418 3.564 0 40 DHAB O=C(/C=C/c1cccs1)NC[C@@H]1CCCN1c1ccccc1 211115943 CFZYBXFCWDIJIK-OFAQMXQXSA-N 312.438 3.547 0 40 DHAB O=C(O)c1cc(Cl)ccc1NC(=S)NCc1ccccc1 216931064 NSJKBDPXDNFBCK-UHFFFAOYSA-N 320.801 3.525 0 40 DHAB Cc1ccc(N2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1 219862219 ZGTCCWWBRQLRBV-UHFFFAOYSA-N 322.452 3.836 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCC1 223829322 UMQIVPKGKAINQM-GOSISDBHSA-N 301.430 3.782 0 40 DHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 224155000 CPPBJCUTNSNDBL-HUUCEWRRSA-N 307.434 3.795 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 224975436 KFSURFVKJPVPPR-MRXNPFEDSA-N 311.425 3.900 0 40 DHAB CCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cn1 225899427 LPWHEPCVYAIVRK-UHFFFAOYSA-N 320.433 3.938 0 40 DHAB C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(C)C(=O)CC[C@]34O)[C@@]1(C)CCC(=O)C2 253617182 BFCOSNMGHLCEIQ-MPDWGWIWSA-N 318.457 3.672 0 40 DHAB CCN(CC)C[C@H](C)NC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 1563812545 OJMWNEKBOUJQRM-XHSDSOJGSA-N 311.514 3.573 0 40 DHAB O=C(CSCc1ccccc1F)NCc1ccc(F)cc1 260358 AQBOATRVXAEECQ-UHFFFAOYSA-N 307.365 3.514 0 40 DHAB COC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 563059 LEOYZRNNIYIELD-LBPRGKRZSA-N 315.394 3.593 0 40 DHAB CC(C)C(=O)OCC(C)(C)[C@H]1OCC(C)(C)[C@@H](C(C)C)O1 1600792 BKUWIJQGNMWGAU-HIFRSBDPSA-N 300.439 3.636 0 40 DHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccs1 1934387 RIMOQJMNMLVWNC-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB OCCN[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 2049802 RHNKSODMKAMSHB-CQSZACIVSA-N 305.830 3.670 0 40 DHAB O=C(CN1CCc2ccccc21)Nc1cccc(Cl)c1Cl 3538062 TYUPYKBMDXYPFR-UHFFFAOYSA-N 321.207 3.995 0 40 DHAB CCOc1ccc2oc(=O)cc(CN3CCc4ccccc43)c2c1 4943052 RNCRNJDKOZSEBS-UHFFFAOYSA-N 321.376 3.754 0 40 DHAB O=Cc1c(NCc2ccccc2Cl)c2ccccc2[nH]c1=O 6679397 QUMMMQILYPUSDS-UHFFFAOYSA-N 312.756 3.606 0 40 DHAB CCCN1CN(CCc2ccccc2)c2nc3ccccc3n2C1 7499272 NCVDWUUGJUGXGP-UHFFFAOYSA-N 320.440 3.726 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1 7777543 UEMDYSBUZPLJKU-INIZCTEOSA-N 303.789 3.814 0 40 DHAB Cc1cc(C)cc(OCC(=O)N2CCc3sccc3[C@@H]2C)c1 7829694 GILLPYFFPJHFRY-AWEZNQCLSA-N 315.438 3.890 0 40 DHAB CC(C)(C)c1ccccc1OCC(=O)N1CCc2ccccc2C1 8478884 BKSGVMYKXWUBEV-UHFFFAOYSA-N 323.436 3.948 0 40 DHAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C1CC1 8944945 WUWXSTCMFICVMV-UHFFFAOYSA-N 320.186 3.735 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(F)c1 11636875 QQYJYFXKIWEXPQ-INIZCTEOSA-N 303.333 3.630 0 40 DHAB COc1ccc(/C=C/C(=O)NC2(c3ccccc3)CCC2)cc1 12735947 JSBJGJPKVCLRSA-JLHYYAGUSA-N 307.393 3.904 0 40 DHAB CN(C)c1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 15309365 LJZSNMNRPOLMFW-UHFFFAOYSA-N 323.440 3.995 0 40 DHAB C[C@H](c1nnc(S)n1-c1ccc(Cl)cc1)N1CCCCC1 19230005 IROPFSZZIGTKJU-LLVKDONJSA-N 322.865 3.756 0 40 DHAB COc1ccc(-c2nc(Cl)nn2-c2ccc(OC)cc2)cc1 22125912 XZYZMFUAFKBHML-UHFFFAOYSA-N 315.760 3.605 0 40 DHAB Cc1ccccc1NC(=S)NC[C@H](c1cccs1)N(C)C 23243243 BHUHJRLAHARVJP-CQSZACIVSA-N 319.499 3.646 0 40 DHAB O=C(COc1ccc(F)cc1F)Nc1cccc2ncccc12 24567542 NTBBGJCSQONMKQ-UHFFFAOYSA-N 314.291 3.531 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 27377146 IUGDYUGLUUGVJC-UHFFFAOYSA-N 324.424 3.942 0 40 DHAB COc1ccc(C(=O)COc2cccc3cccnc23)cc1OC 28047719 YHUOKHAGHVLXTR-UHFFFAOYSA-N 323.348 3.514 0 40 DHAB CSCCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 29147022 BBJBMGOWTNWSFE-UHFFFAOYSA-N 310.419 3.949 0 40 DHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]1c1cccnc1 29299084 RNAVGXIHKQIRKV-LJQANCHMSA-N 317.392 3.850 0 40 DHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCO[C@@H](c2ccccc2)C1 29537578 NEXDEUHXRIABAH-UKRRQHHQSA-N 315.417 3.502 0 40 DHAB O=C(Nc1cccc(OC(F)(F)F)c1)OCC(F)(F)F 32628749 ZYQXJZVUKTXCLH-UHFFFAOYSA-N 303.158 3.696 0 40 DHAB in-vitro COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1 32909679 HBPWUGWDBRZKDO-UHFFFAOYSA-N 314.316 3.577 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(Cl)c1 40074788 NJAYROVUADOBIT-SNVBAGLBSA-N 312.797 3.500 0 40 DHAB Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)on1 41893738 KIURYTYOCAKGRX-HZMBPMFUSA-N 300.358 3.504 0 40 DHAB CN(C)Cc1cccc(NC(=O)N[C@H]2CCCc3ccccc32)c1 44276936 HHOBMFVTEPCMDN-IBGZPJMESA-N 323.440 3.947 0 40 DHAB O=C(CC1CCCCC1)Nc1cccc(NC(=O)C2CC2)c1 46576825 NSGFBHSDNRKOHZ-UHFFFAOYSA-N 300.402 3.944 0 40 DHAB O=C(/C=C/c1nc2ccccc2o1)NCC1(c2ccccc2)CC1 48237600 XGBRROHYDCTSBS-ZHACJKMWSA-N 318.376 3.689 0 40 DHAB CCc1ccccc1NC(=O)c1cnn(C)c1-n1c(C)ccc1C 48355400 XXXSKYOAYMQEHU-UHFFFAOYSA-N 322.412 3.642 0 40 DHAB O=C(Nc1ccccn1)NC1(c2ccc(Cl)cc2)CCC1 51190100 AKZTWTNCKWHNTH-UHFFFAOYSA-N 301.777 3.936 0 40 DHAB Cc1ccc(CN(C(=O)c2cc(C(C)C)[nH]n2)C(C)C)s1 57444564 QELHTQQWVSLGPC-UHFFFAOYSA-N 305.447 3.954 0 40 DHAB O=C(NCc1cnc2ccccc2c1)[C@H]1CCCc2ccccc21 58172862 FNVPRUMXPQMOSA-IBGZPJMESA-N 316.404 3.971 0 40 DHAB Cc1ccc(OC(=O)c2cccn2Cc2ccncc2)c(C)c1 65535842 NFEIZRCXGJSGKW-UHFFFAOYSA-N 306.365 3.767 0 40 DHAB C[C@@H](NCc1csc(-c2cccs2)n1)[C@@H](C)n1cccn1 69442842 ZLGVPEIKEWLYQU-VXGBXAGGSA-N 318.471 3.807 0 40 DHAB S=C(NC1CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 69967659 ODUVQKZJGCHLOA-GOSISDBHSA-N 308.450 3.671 0 40 DHAB Cc1ccncc1NC(=O)c1ccc(Br)c(F)c1 71414399 OBKCYQHWRUPGCK-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB CCOC1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 71885968 DYDUIJPZATVEFY-HNNXBMFYSA-N 304.434 3.575 0 40 DHAB c1ccc(-c2nnc(C3(c4ccccc4)CCOCC3)o2)cc1 71889558 KPIPOCBTJDGJMD-UHFFFAOYSA-N 306.365 3.833 0 40 DHAB O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc2cc[nH]c2c1 72292256 HIJYVBBGYCBDJQ-KRWDZBQOSA-N 322.364 3.588 0 40 DHAB Cc1csc([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 72298900 HBDADKCEAFUDAW-AWEZNQCLSA-N 318.417 3.539 0 40 DHAB N#Cc1ccc(Oc2cccc(NC(=O)C3CCCC3)c2)nc1 78146205 NAERLJZUDZWRDV-UHFFFAOYSA-N 307.353 3.874 0 40 DHAB Cc1ccc(NCc2nc(C(C)C)no2)c(Br)c1 79156507 ZPRPLRGQOFGGHV-UHFFFAOYSA-N 310.195 3.876 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CNc2ccc(F)cc2)CC1 89212596 VKLPQSWCVPSVJB-UHFFFAOYSA-N 308.397 3.885 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(Oc2ccccc2)c1 89871058 XOGYRWRIBIZUMC-UHFFFAOYSA-N 323.356 3.858 0 40 DHAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1C[C@H](O)c1ccco1 95412631 MQXVMZBNXYKAIB-GJZGRUSLSA-N 319.788 3.661 0 40 DHAB CNC(=O)Cc1nc(CS[C@H](C)c2ccccc2F)cs1 96444648 RYILDSFOIZPILE-SNVBAGLBSA-N 324.446 3.565 0 40 DHAB Cc1ccc([C@@H]2C[C@H]2C(=O)NCCCCc2nccs2)s1 97212297 DRWQZOUSCWBZFY-CHWSQXEVSA-N 320.483 3.756 0 40 DHAB C[C@H]1[C@H]2C[C@@H]([C@@H]([C@@H]3C(=O)[C@H]4C[C@H]3C(C)(C)[C@@H]4C)C2=O)C1(C)C 100314878 CTEHDPNSLFXLOZ-ZEXGKBLPSA-N 302.458 3.981 0 40 DHAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COC[C@H]1C[C@@H]2CC[C@@H]1C2 101244209 CDWNVYOEAWOXCA-BRSBDYLESA-N 323.521 3.843 0 40 DHAB COC(=O)Nc1cccc(N[C@@H](c2ccccc2)c2ncc[nH]2)c1 128536093 GMMOWZUZDQZJEW-INIZCTEOSA-N 322.368 3.790 0 40 DHAB CC(=O)c1ccccc1NCc1nnc(-c2ccccc2C)o1 132831823 ZQZHESFCDRFQGC-UHFFFAOYSA-N 307.353 3.860 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)c1cnc(C2CC2)nc1C 222563559 ICBAUONNOSFEQN-UHFFFAOYSA-N 301.777 3.877 0 40 DHAB CCCC[C@@H](C)OC(=O)c1snnc1-c1ccc(OC)cc1 223836578 MUHKIVFKHSHVES-LLVKDONJSA-N 320.414 3.949 0 40 DHAB Cc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224281905 ARUTXKMLNXZEDL-UHFFFAOYSA-N 323.327 3.969 0 40 DHAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COC 224683999 QLJYVOIOOSSPCN-UHFFFAOYSA-N 303.333 3.623 0 40 DHAB C[C@H](Nc1ccc(C(=O)N2CCCC2)cc1N)c1ccccc1 225413366 PIPDMUDFDHGGCY-AWEZNQCLSA-N 309.413 3.678 0 40 DHAB Cc1ccccc1OCC(=O)N[C@H](C)Cc1cc2ccccc2o1 253471146 BIAUCDRAODXAKH-OAHLLOKOSA-N 323.392 3.867 0 40 DHAB Cc1ccc(Oc2ccccc2C(=S)N2CCOCC2)cc1 408728082 ZPUIKNBABUEPFR-UHFFFAOYSA-N 313.422 3.795 0 40 DHAB Cc1ccc(CN2C(=O)S/C(=C\c3cccn3C)C2=O)cc1 409107153 QMDPXEJJRKEVFJ-GDNBJRDFSA-N 312.394 3.570 0 40 DHAB COC(=O)CCCC(=O)c1ccc(Cl)cc1C(F)(F)F 575360827 JBZBZEHULNSEHO-UHFFFAOYSA-N 308.683 3.885 0 40 DHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc2cc[nH]c2n1 583771681 ZBEXNTKWNBROKR-KRWDZBQOSA-N 322.412 3.659 0 40 DHAB O=c1oc2ccccc2cc1-c1nnc(-c2ccccc2F)o1 1345603433 YOMYCFBNJUJTAP-UHFFFAOYSA-N 308.268 3.649 0 40 DHAB O[C@@H]1c2ccccc2OC[C@H]1NCc1cccc(CC2CCC2)c1 1560490599 BQHRBQZMIDXUOD-TZIWHRDSSA-N 323.436 3.613 0 40 DHAB CC(C)c1cc(NC(=O)c2c(C(C)C)nn(C)c2Cl)no1 1586726401 ADPGHIBOXKXEML-UHFFFAOYSA-N 310.785 3.561 0 40 DHAB CCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 44469 ZXPUYXUKKDNJGZ-GFCCVEGCSA-N 300.354 3.974 0 40 DHAB Cc1ccc(NC(=O)CCCC(=O)Oc2ccccc2F)cc1 136088 NGJHOYGGQVMCIB-UHFFFAOYSA-N 315.344 3.849 0 40 DHAB COc1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1OC 300382 UEOBWABPEVGSNM-AUUYWEPGSA-N 317.429 3.745 0 40 DHAB biogenic Cc1nn(C(=O)COc2ccc(Cl)cc2Cl)c(C)c1C 569285 ADOJKMBAYPCKRO-UHFFFAOYSA-N 313.184 3.834 0 40 DHAB COCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 2424530 KRQANONEWXGEBB-UHFFFAOYSA-N 318.380 3.683 0 40 DHAB Cc1ccc(C(=O)NCC(=O)Nc2ccc3ccccc3c2)cc1 2646953 GDBLNTRIWUQOAZ-UHFFFAOYSA-N 318.376 3.517 0 40 DHAB CC(C)(C)c1nnc(Nc2cccc(Cl)c2Cl)[nH]c1=O 2718768 KBXGDMFVKJNHSC-UHFFFAOYSA-N 313.188 3.513 0 40 DHAB O[C@H](c1c(F)c(F)c(F)c(F)c1F)C(Cl)(Cl)Cl 2775478 PMCBIVRSJJRRIJ-SSDOTTSWSA-N 315.452 3.786 0 40 DHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 3333687 VHWBKPPIEJQBRC-UHFFFAOYSA-N 311.278 3.817 0 40 DHAB COc1cccc(/C=C/C(=O)OCC(=O)c2cc(C)ccc2C)c1 3423138 KPJSIKCWTHZXOE-MDZDMXLPSA-N 324.376 3.751 0 40 DHAB COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 4644250 BJZSIDFJMNIFIO-UHFFFAOYSA-N 315.413 3.859 0 40 DHAB CCN(CC)P(=N)(c1c(C)nc2ccccn12)N(CC)CC 5071609 MYBPRNSEEPWEBI-UHFFFAOYSA-N 321.409 3.562 0 40 DHAB CN(C)CCSc1nc(-c2ccccc2)nc2c1CCCC2 5164650 OIOIVQUTUSYVRX-UHFFFAOYSA-N 313.470 3.676 0 40 DHAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 5378398 WAJGGKONAGDMSG-UHFFFAOYSA-N 322.286 3.916 0 40 DHAB Cc1ccc(N2C(=O)[C@H](CN3CCCC3)[C@H]2c2ccccc2)cc1 5541435 WZTQWILGFCKYHD-WOJBJXKFSA-N 320.436 3.795 0 40 DHAB COc1ccc(NC(=S)NCCc2ccccc2)cc1Cl 6329450 NJLCHEQXKNHYRX-UHFFFAOYSA-N 320.845 3.878 0 40 DHAB Cc1csc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 8706002 JAJIGGBOSLXCIQ-ZDUSSCGKSA-N 322.430 3.703 0 40 DHAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN1CCCC[C@@H]1C 8717518 VDIXKLWYADCFJZ-ZDUSSCGKSA-N 313.445 3.689 0 40 DHAB CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 11151131 MLIVKNLPWGHWRM-UHFFFAOYSA-N 306.365 3.687 0 40 DHAB CN(Cn1ncn(C)c1=S)C(c1ccccc1)c1ccccc1 12815138 YXUYSRXGTWVTKJ-UHFFFAOYSA-N 324.453 3.630 0 40 DHAB Cc1cccc(OCCNC(=O)Cc2c(F)cccc2Cl)c1 12849963 XKPLPRDOEZSSSY-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB O=C(O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 13094479 ZIGLSSBDZXZZRB-UHFFFAOYSA-N 309.243 3.656 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 13131311 QUCFOWADJYAOPP-IRXDYDNUSA-N 319.412 3.623 0 40 DHAB Cc1ccc(F)cc1NC(=O)C[C@](C)(C(=O)O)c1ccccc1 13252651 APYDXHAQAAPCRM-SFHVURJKSA-N 315.344 3.505 0 40 DHAB C[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 14064257 YSTOWDPMRBWWHX-NSHDSACASA-N 303.793 3.602 0 40 DHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1Cc2ccccc2O1 15576901 OAMQJDBOGNXFGW-MRXNPFEDSA-N 322.389 3.752 0 40 DHAB COc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 16110208 YYHFXOHQZKLQJH-OAHLLOKOSA-N 317.385 3.801 0 40 DHAB Cc1n[nH]c(NCc2ccc(-c3cccc(Cl)c3C)o2)n1 20295732 DFQMAQCRSZZARQ-UHFFFAOYSA-N 302.765 3.947 0 40 DHAB O=C(COc1ccc(-c2ccccc2)cc1Cl)NCC1CC1 22971862 VTHBWBKVHSCVGO-UHFFFAOYSA-N 315.800 3.912 0 40 DHAB C[C@@H](NC(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 26399643 GTJZMZFVHYAQPH-QAPCUYQASA-N 324.424 3.643 0 40 DHAB Cc1noc(C)c1CC(=O)N[C@@H](c1cccs1)C1CCCC1 31804739 ZEQDIJWXZKGOQI-QGZVFWFLSA-N 318.442 3.943 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1C 32476013 QWLKKBJSXUKKDY-WBVHZDCISA-N 311.425 3.991 0 40 DHAB CCc1nnc(NC(=O)c2csc(-c3ccsc3)n2)s1 32768146 JWUPHXLGIUTVRX-UHFFFAOYSA-N 322.440 3.538 0 40 DHAB CCc1cccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)c1 40098804 ZFWXSPYLCKOKPR-MRXNPFEDSA-N 318.804 3.758 0 40 DHAB Cc1cc(OC2CCNCC2)c(Br)c(C)c1Cl 42774443 NDRSCKMQXAIZNK-UHFFFAOYSA-N 318.642 3.850 0 40 DHAB Fc1ccc(-c2nn3c(-c4ccco4)nnc3s2)c(F)c1F 44892361 QMRRTGBHCIPTND-UHFFFAOYSA-N 322.271 3.530 0 40 DHAB NC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1Cl 45923332 SEPGMQUKDMJJBD-UHFFFAOYSA-N 306.749 3.855 0 40 DHAB COc1cc(C(=O)Nc2ccncc2)ccc1OC1CCCC1 48343392 WXYAYNKVPFOWTH-UHFFFAOYSA-N 312.369 3.664 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1cc2cc(C)ccc2[nH]1 48512639 QISBVAFMHHDVLJ-UHFFFAOYSA-N 308.337 3.515 0 40 DHAB Cc1nn(C)c2c1[C@@H](c1cccc(Cl)c1)SCC(O)=N2 49544724 XKLRJBIYIWSJPA-CYBMUJFWSA-N 307.806 3.806 0 40 DHAB COc1ccc(C(=O)Nc2ncccc2O)cc1-c1ccccc1 51341048 CWTSWWIAGPEPST-UHFFFAOYSA-N 320.348 3.715 0 40 DHAB C[C@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2)c[nH]1 58201853 AEMDZIGKIVJITJ-LBPRGKRZSA-N 309.344 3.707 0 40 DHAB Cc1[nH]c(-c2ccccc2)c2c1C(=O)NN=C(c1ccccc1)C2 67340085 ZGFCOBINSRAGIL-UHFFFAOYSA-N 315.376 3.680 0 40 DHAB Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3ncccn3)C2)cc1 67688958 BAFIIJIYPBUGKC-INIZCTEOSA-N 319.412 3.559 0 40 DHAB Nc1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 67799204 XPAQWNNKYCBONT-UHFFFAOYSA-N 309.213 3.551 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 68960424 WKGGYQWMLYZYRC-CQSZACIVSA-N 317.816 3.775 0 40 DHAB COc1ccc2[nH]c3c(c2c1)CCN(C(C)C)[C@@H]3c1cccnc1 72341978 IGJYEFICYLYPHR-HXUWFJFHSA-N 321.424 3.927 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1ccc2[nH]c(C3CC3)nc2c1 79495012 BGZLYJKSSUISFQ-UHFFFAOYSA-N 309.344 3.761 0 40 DHAB Cc1cc(C(=O)OC2CCCCCCC2)c2c(C)nn(C)c2n1 89582804 MSPNZGLSQBHMIS-UHFFFAOYSA-N 315.417 3.855 0 40 DHAB CCCn1nc(C)c(CN2CCC(C3CCOCC3)CC2)c1C 93704939 SCEBTNJFTQVVEU-UHFFFAOYSA-N 319.493 3.549 0 40 DHAB COc1ccc(OC)c(COC(=O)c2cncc3ccccc23)c1 95364764 IDFUXQNHTQPIGX-UHFFFAOYSA-N 323.348 3.609 0 40 DHAB Cc1noc(C)c1CNC(=O)N1CCC[C@@H]1C1CCCCC1 95955256 HOYBTXQRNBZVPS-MRXNPFEDSA-N 305.422 3.546 0 40 DHAB CO[C@@H](CNC(=O)Nc1ccccc1C)c1cccc(F)c1 96388829 SRAKIXCNYGSSOQ-INIZCTEOSA-N 302.349 3.643 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc(Cl)c(F)c1 100189479 BHWRTOMGXHSKLK-SJCJKPOMSA-N 317.795 3.839 0 40 DHAB C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2ccnc2)cc1 104816837 CMQNREIZXHEGOQ-UOVPBQLFSA-N 323.440 3.876 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)NCC(C)(C)C[C@H](C)O 108352717 NAEPIJMVZPNQQA-OWCLPIDISA-N 312.498 3.640 0 40 DHAB CCN(C(=O)c1ccc(Br)c(F)c1)c1ccncc1 117665794 HNJSXGMREKARKW-UHFFFAOYSA-N 323.165 3.650 0 40 DHAB COc1ccc(Oc2ncccc2NCc2cscn2)cc1 195573334 DXEQBWWVSSEZJP-UHFFFAOYSA-N 313.382 3.951 0 40 DHAB O=C1Nc2ccc(Br)cc2C[C@H]1c1ccccc1 196806664 DYPMULWQJJLLBG-ZDUSSCGKSA-N 302.171 3.728 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCc2ccccc21 224328606 WBMJPMMWEWLFKJ-OAHLLOKOSA-N 321.420 3.922 0 40 DHAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(F)cc3F)cc2c1 226036659 NQHZEXJPXDMVKP-UHFFFAOYSA-N 315.275 3.632 0 40 DHAB Cc1ccc([C@@H]2CN(c3ncnc4ccsc34)CCO2)cc1 1775974021 VODKYOOLIXCRLH-HNNXBMFYSA-N 311.410 3.578 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 562808 UMYPPEUBXKSOED-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CCN(CC)CCCNc1cccc2c(C)cc(OC)nc12 1568073 PURMODGRWVXFMC-UHFFFAOYSA-N 301.434 3.696 0 40 DHAB COc1cc([C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc(OC)c1OC 1595293 QKGPVQNLHHPWQV-KGLIPLIRSA-N 320.385 3.627 0 40 DHAB CCCCC(CCCC)NCCOC(=O)c1ccc(N)cc1 1716535 WZVWBBQEQHQXSP-UHFFFAOYSA-N 306.450 3.764 0 40 DHAB CN(C)CCCN1CCC2(CCC[C@H](C(F)(F)F)C2)CC1 2016535 BJDREZAXPCVNLF-AWEZNQCLSA-N 306.416 3.773 0 40 DHAB O[C@@H](CNC1CCCCCC1)COc1cccc2ccccc12 2624413 BQQIGHILYUCELW-SFHVURJKSA-N 313.441 3.892 0 40 DHAB CCc1nnc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)s1 2659043 XRVYDRFNNCZVTJ-QMMMGPOBSA-N 307.444 3.539 0 40 DHAB O=c1c2ccccc2nc(-c2ccccc2)n1Nc1ccccc1 2801448 JFGSHUOPEXYFBO-UHFFFAOYSA-N 313.360 3.939 0 40 DHAB Cc1ccc2[nH]c(=O)cc(OC(=O)c3ccc(Cl)cc3)c2c1 3136233 ZRTVQXQWOGASRT-UHFFFAOYSA-N 313.740 3.709 0 40 DHAB CC(=O)C[C@H](Oc1cc(=O)oc2ccccc12)c1ccccc1 3149497 DSLGERLULZKSMC-KRWDZBQOSA-N 308.333 3.892 0 40 DHAB O=C(COC(=O)c1ccc(Cl)cc1)NC1CCCCCCC1 3512359 REILIVKINRLVSD-UHFFFAOYSA-N 323.820 3.726 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 3551664 JRTRSCOXVLKQCT-NSHDSACASA-N 307.752 3.563 0 40 DHAB CC(C)(C)c1nnc2sc(COc3ccccc3Cl)nn12 5015494 BCSWWXLCPYSOOO-UHFFFAOYSA-N 322.821 3.716 0 40 DHAB COc1ccc(C(=O)Nc2cccc(C)c2C)c(OC)c1OC 5558540 YFQUMTVLPKPGBC-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB Cc1ccc2c(=O)cc(C(=O)Nc3c(C)cccc3C)oc2c1 6811250 WOYIKVYVSAFVAP-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB CCOc1cc(C(=O)Nc2nccs2)ccc1OCC(C)C 6943129 QUXHWKZZRDNQMX-UHFFFAOYSA-N 320.414 3.829 0 40 DHAB COc1cccc(NC(=S)N(C)Cc2ccccc2F)c1 7583656 MNQVMEIECIIEFU-UHFFFAOYSA-N 304.390 3.663 0 40 DHAB COc1cc(C(=O)O)cc(Cl)c1OCc1cccc(F)c1 7603973 XCLZEDLXCNVGPS-UHFFFAOYSA-N 310.708 3.765 0 40 DHAB CC[C@H](CO)NCc1ccc(OCc2ccccc2Cl)cc1 8337097 JZCGZMCXFCPWRC-MRXNPFEDSA-N 319.832 3.780 0 40 DHAB COc1ccc([C@H](C)S(=O)(=O)c2ccc(C)cc2)cc1OC 8649752 NUBXMMVTSWOWED-ZDUSSCGKSA-N 320.410 3.547 0 40 DHAB CCCCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063332 RSYPVXFRUCYJMD-UHFFFAOYSA-N 322.880 3.858 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(OC)c(OCC)c2)cc1 10038858 JJYDFCUTSJKNKL-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 11287307 WAIFQVRWOKIIDH-BRFSQIRFSA-N 320.392 3.788 0 40 DHAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)ncn1 12016784 SZQQQWAFTYYUFZ-NSHDSACASA-N 321.833 3.866 0 40 DHAB CC(C)C(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 12088179 OBGKXOKANBZPNV-UHFFFAOYSA-N 305.381 3.546 0 40 DHAB COc1cccc(Cn2c(C3CCNCC3)cc3cccnc32)c1 12222686 ZNLIOCMWRJBZGB-UHFFFAOYSA-N 321.424 3.560 0 40 DHAB CC(=O)N(C)c1ccc(NC(=S)Nc2ccc(C)cc2)cc1 13813615 KCNXHXRMPWPABX-UHFFFAOYSA-N 313.426 3.787 0 40 DHAB C[C@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H](C)O1 20938351 DODVCGJPKJZHMA-RYUDHWBXSA-N 306.793 3.604 0 40 DHAB Cc1cc(C(=O)NCc2ccccc2)c(C)n1Cc1ccco1 22863931 BCYUQSXKPZHTGK-UHFFFAOYSA-N 308.381 3.676 0 40 DHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc2ncccc12 25948566 WQLSTPDUZKVXEI-AWEZNQCLSA-N 317.392 3.625 0 40 DHAB CSc1nc(C)c(CC(=O)Nc2ccc(C(C)=O)cc2)s1 32901963 MVGMIGVQTMHBRM-UHFFFAOYSA-N 320.439 3.557 0 40 DHAB C[C@H](NCc1cc(F)ccc1Br)c1ccccn1 35694815 BSBQXXRXULOJQO-JTQLQIEISA-N 309.182 3.834 0 40 DHAB COc1ccc(CCCc2ccc(O)cc2O)c(OC)c1C 35899268 HOCCFHXBGWEJEQ-UHFFFAOYSA-N 302.370 3.599 0 40 DHAB COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38835061 UIWJFMRYTWLCSC-KRWDZBQOSA-N 324.424 3.546 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCc2ccccc21 40017856 RPFDTCSLENORQN-HNNXBMFYSA-N 301.773 3.766 0 40 DHAB Cn1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)n1 42649351 GXBVGHUXBVRRMD-UHFFFAOYSA-N 317.820 3.914 0 40 DHAB C[C@@H]1c2ccsc2CCN1Cc1nc(-c2ccco2)no1 44073301 MBONDCCFARFCIJ-SNVBAGLBSA-N 301.371 3.510 0 40 DHAB COc1ccccc1NC(=O)N(Cc1ccsc1)C1CC1 44446757 MESQJMYUDOWKOW-UHFFFAOYSA-N 302.399 3.953 0 40 DHAB CCCOc1c(Cl)cc(C(=O)N2CCCCC2)cc1OC 50078197 VLWXROVNGYURQC-UHFFFAOYSA-N 311.809 3.764 0 40 DHAB C[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 57411287 HINFCUOERTUGCP-MRXNPFEDSA-N 323.440 3.576 0 40 DHAB CC(C)CCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 57624276 CXFSPQRAFYZNLB-UHFFFAOYSA-N 315.383 3.659 0 40 DHAB COCc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCCC1 68320270 MVLLYSFAGDMQCQ-LJQANCHMSA-N 324.424 3.609 0 40 DHAB CCn1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cn1 69462712 PKCFMTRUAMACSZ-QGZVFWFLSA-N 313.401 3.542 0 40 DHAB c1ccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1 71890667 SSIBBAIEZSNGDF-UHFFFAOYSA-N 304.309 3.817 0 40 DHAB COc1ccc(Nc2ccccc2C(=O)NCC(F)(F)F)cc1 71906900 UBRCULFJUZEUPI-UHFFFAOYSA-N 324.302 3.731 0 40 DHAB CC(C)Cc1cc(C[C@@H]2C[C@H](NC3CCOCC3)C2(C)C)no1 72320772 JHGUCGUSOBNUPZ-KDOFPFPSSA-N 320.477 3.599 0 40 DHAB biogenic,in-vitro Cc1nc([C@@H]2CCCN2Cc2csc(C3CCCC3)n2)no1 75573090 BKEUREXSJYJJBR-AWEZNQCLSA-N 318.446 3.829 0 40 DHAB CCC(CC)N(C)C(=O)CSc1ccc(C(C)=O)c(F)c1 78055336 WVACKPODDWWEAL-UHFFFAOYSA-N 311.422 3.767 0 40 DHAB Cc1nc(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)cs1 78556001 JHWYVHHKGBYDJV-HXUWFJFHSA-N 319.373 3.919 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)[C@@H](O)c2ccc(OC)cc2)cc1 79074422 LQBGMBCVASNFPQ-SCLBCKFNSA-N 313.397 3.566 0 40 DHAB Cc1cn[nH]c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 82336940 RKYGIEPPOADCPU-UHFFFAOYSA-N 303.671 3.643 0 40 DHAB Cc1ccccc1[C@@H]1CCCN1C(=O)NOCc1ccccc1 84235480 SAIBSUTYBVNYRE-SFHVURJKSA-N 310.397 3.973 0 40 DHAB CC(C)[C@@H](C)N(C(=O)N[C@H](c1nccs1)C1CC1)C1CC1 86424641 WQHCPYZSAFVAAT-RISCZKNCSA-N 307.463 3.813 0 40 DHAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89363646 LMVSIGIBTYZXBA-UXHICEINSA-N 316.404 3.997 0 40 DHAB CS[C@H]1CCC[C@H]1N(C)Cc1ccccc1-n1cccn1 93869419 HQKWLGOITZYIKZ-SJORKVTESA-N 301.459 3.588 0 40 DHAB COCC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccco1 95468449 PDWCCMNYYZTNKZ-INIZCTEOSA-N 317.385 3.574 0 40 DHAB CO[C@](C)(CNC(=O)/C=C/c1ccccc1)c1ccccc1F 96123447 DEDDHYOERGEHFH-JXOMPUQVSA-N 313.372 3.517 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c(C)c1 96659241 XZLCGJRBENOILS-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CC[C@H]1C[C@@H](C(=O)Nc2c(F)cccc2NC2CC2)CCO1 97059602 SDNFRTNUCBDZIX-AAEUAGOBSA-N 306.381 3.544 0 40 DHAB O[C@@H](COc1ccccc1Br)c1ccccc1F 97139538 GIPSVWRLIPZORM-ZDUSSCGKSA-N 311.150 3.701 0 40 DHAB CCn1c(NCc2ccccc2NC(C)=O)nc2ccccc21 97378044 HFDNUFHLJQUFNG-UHFFFAOYSA-N 308.385 3.627 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)C1 101213731 KLAVVVARGBVTEU-LERJKICOSA-N 323.521 3.557 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC(c2c[nH]c3ncccc23)CC1 107493111 IHSUOSKTCLXARX-QRTARXTBSA-N 323.440 3.705 0 40 DHAB CC(C)C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccn1 110704184 HRWWUTPLMCKERL-NJAFHUGGSA-N 320.502 3.813 0 40 DHAB Cc1ncsc1C(=O)N1C[C@@H](C)Oc2c(Cl)cccc21 189835739 GHFHSEUMRUHMMA-MRVPVSSYSA-N 308.790 3.533 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccc(C)cc1)c1ccc(C)cc1 216417203 LXTNKAMVYJCWHQ-GOSISDBHSA-N 317.454 3.874 0 40 DHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccs2)S1 222568274 KGIPBQCACLWJFH-GDLCADMTSA-N 301.440 3.732 0 40 DHAB Cc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 223274759 NRKIEKYQMFJXAN-INIZCTEOSA-N 323.436 3.958 0 40 DHAB COc1ccc(C)cc1C[C@H](Oc1ccccc1Cl)C(=O)O 225117353 WLRKHPLVAPXXQC-INIZCTEOSA-N 320.772 3.732 0 40 DHAB COc1cc2c(cc1CN1[C@H]3CC[C@H]1c1cccnc1C3)CCC2 247960321 QIAIKVWDWZEBQT-PXNSSMCTSA-N 320.436 3.841 0 40 DHAB COc1ccc2c(c1)N([C@@H](C(=O)O)C(C)C)C(C)(C)C[C@H]2C 260625397 ZOVYAZFSWGIDMS-MLGOLLRUSA-N 305.418 3.897 0 40 DHAB COc1ccc2c(Cl)c(C(=O)N(C)C)sc2c1Cl 408972682 QPKZBBSNRBWTIT-UHFFFAOYSA-N 304.198 3.919 0 40 DHAB CCN(CC(F)(F)F)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 515296457 OLDGJVWXDTUCCG-UHFFFAOYSA-N 319.371 3.786 0 40 DHAB O=C(Cc1coc2ccccc12)NCCc1c[nH]c2ccccc12 560410024 AAGPPTAEZXAKLB-UHFFFAOYSA-N 318.376 3.816 0 40 DHAB FCc1ccc(Br)c(I)c1 1504206554 ZSSMMDJIGWMAGY-UHFFFAOYSA-N 314.923 3.523 0 40 DHAB O=C(N=S(=O)(c1ccccc1)c1ccccc1)[C@H]1CC12CC2 1535425147 CTEYPSKJSFZKSG-MRXNPFEDSA-N 311.406 3.899 0 40 DHAB O=C(CCC(F)(F)F)NCc1cc(-c2ccco2)cs1 1775968879 YCMFHJMNZXWWTA-UHFFFAOYSA-N 303.305 3.967 0 40 DHAB Cc1nc(Nc2ccc(F)c(F)c2)cc(C2CCOCC2)n1 1888875592 LHIIVFXJICWQDL-UHFFFAOYSA-N 305.328 3.701 0 40 DHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)c2ccccc12 520207 OPUWERKDZGFWHR-UHFFFAOYSA-N 323.323 3.638 0 40 DHAB O=C(c1ccc(CN2CC=CC2)cc1)c1cc(F)c(F)c(F)c1 2514925 UHWUPHUKWZEWES-UHFFFAOYSA-N 317.310 3.707 0 40 DHAB CC[C@@H](C)NC(=O)COc1ccc(OCc2ccccc2)cc1 2632631 UHLKIOAAPJUVTI-OAHLLOKOSA-N 313.397 3.559 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)COc1ccccc1Cl 2639439 UVUKPXZDDUJVEL-CQSZACIVSA-N 317.816 3.856 0 40 DHAB CC(C)=CC/C=C1/CC[C@H]2C(=O)N(c3ccccc3)NC(=O)[C@@H]2C1 4028882 LAQLAJSRFNHUCR-JADFEHNVSA-N 324.424 3.763 0 40 DHAB biogenic CCCC[C@@H](C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)N(CC)CC 4063964 VCXCSUROFHCUQZ-PBHICJAKSA-N 318.461 3.849 0 40 DHAB biogenic O=C(c1ccc(Br)cc1)[C@H]1CCCC[C@H]1C(=O)O 4262296 OVZXXISOLDHARA-NWDGAFQWSA-N 311.175 3.523 0 40 DHAB Cc1ccc(N2C(=O)S[C@H](Nc3ccc(F)cc3)C2=O)cc1 5234440 KYKYJWIRVQJLMD-AWEZNQCLSA-N 316.357 3.772 0 40 DHAB O=C(COc1ccccc1F)Nc1ccccc1C(F)(F)F 5860669 KKKIAYGDWAIQFL-UHFFFAOYSA-N 313.250 3.862 0 40 DHAB COc1ccc(-c2n[nH]c(=S)n2CCc2ccccc2)cc1 6373060 YZDOZPIHHXGNSF-UHFFFAOYSA-N 311.410 3.859 0 40 DHAB CC[C@H](NC(=O)Cc1ccccc1F)c1ccc(OC)cc1 7037388 KKZYVBWWNHXYRO-KRWDZBQOSA-N 301.361 3.644 0 40 DHAB Clc1cccc(OCc2nnnn2-c2ccccc2)c1Cl 7990475 SNGVKVWUXKKRRM-UHFFFAOYSA-N 321.167 3.548 0 40 DHAB CCC[C@H](C)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 9113430 NEAVWFNAEGOYKZ-LBPRGKRZSA-N 318.442 3.666 0 40 DHAB COc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1C 9140069 ZMXVBNHZBUONON-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB O=c1[nH]cccc1-c1nc2ccccc2n1Cc1ccccc1F 13125640 DPUWQHPDTMQASW-UHFFFAOYSA-N 319.339 3.579 0 40 DHAB Fc1cccc(CN(Cc2ccncc2)Cc2cccnc2)c1 13989627 CUAOJEXTHKDVCG-UHFFFAOYSA-N 307.372 3.818 0 40 DHAB COc1cccc(C2=N/C(=C\c3ccc(Cl)s3)C(=O)O2)c1 14176508 ZKBZRCATZBRZLO-WQLSENKSSA-N 319.769 3.755 0 40 DHAB COC(=O)c1sccc1NC(=O)c1ccc(Cl)cc1F 15606801 MMXQNJLOBZRJLI-UHFFFAOYSA-N 313.737 3.580 0 40 DHAB CCCOc1ccccc1C(=O)Nc1ccc2nsnc2c1 15841314 QYJUIECNOIWYGN-UHFFFAOYSA-N 313.382 3.732 0 40 DHAB CC1=C(C)C[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2C1 15906442 BMKKJOCEEVKJAN-TXEJJXNPSA-N 323.314 3.941 0 40 DHAB Cc1cc(NC(=O)CNc2ccccc2Oc2ccccc2)on1 24236307 GWUZJGFMYGCJCN-UHFFFAOYSA-N 323.352 3.826 0 40 DHAB CC(C)[C@H](CNC(=O)Nc1ccccc1)N1CCCCCC1 24989868 JPJCQRSLVWIDOE-KRWDZBQOSA-N 303.450 3.709 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)CSC[C@@H]1CCCCO1 25119257 YYAWVDILWYQYIS-ZDUSSCGKSA-N 303.427 3.961 0 40 DHAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(C(F)(F)F)cc1 26774994 OBFFPUKFOVYVRB-SSDOTTSWSA-N 316.714 3.904 0 40 DHAB CCOc1ccc(OCC)c(NC(=O)c2cc(Cl)c[nH]2)c1 27378842 YXIZRMIOHBXTRP-UHFFFAOYSA-N 308.765 3.718 0 40 DHAB Cc1cc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c(C)o1 27915871 JSAIQYSHIJNKRJ-UHFFFAOYSA-N 313.332 3.533 0 40 DHAB CN(CC(=O)Nc1cc(F)ccc1F)[C@@H]1CCc2ccccc21 29483640 MWMXQPUTQYFNSR-QGZVFWFLSA-N 316.351 3.523 0 40 DHAB CCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C)cc1 32647697 MXPDPNKHTZQLSQ-UHFFFAOYSA-N 311.307 3.938 0 40 DHAB Oc1nncc(N2CCC(CCc3ccccc3)CC2)c1Cl 32869750 NLPZORGDBRRINJ-UHFFFAOYSA-N 317.820 3.685 0 40 DHAB Cc1cc(-c2csc(S(=O)(=O)Nc3ccccc3)c2)on1 33290256 NXYFRXYWOVNKFV-UHFFFAOYSA-N 320.395 3.512 0 40 DHAB C[C@@H](NCc1cc(F)ccc1Br)c1ccccn1 35694817 BSBQXXRXULOJQO-SNVBAGLBSA-N 309.182 3.834 0 40 DHAB CCSc1nnc(SCc2noc(CC(C)C)n2)s1 45091377 RGVPJFJPMYMGBM-UHFFFAOYSA-N 316.477 3.524 0 40 DHAB CCN(CC)c1ccc(C(=O)Nc2ccccc2Cl)cn1 58144795 ROFQIXMXXZLHEM-UHFFFAOYSA-N 303.793 3.834 0 40 DHAB Cc1cc2n(n1)C[C@H](CN[C@@H](C)c1oc3ccccc3c1C)CN2 58308394 CEQFVOVFSWDWSY-LSDHHAIUSA-N 324.428 3.639 0 40 DHAB CCN(Cc1ccccc1)C(=O)c1ccc(Cn2ccnc2)cc1 60603745 OXOGJWQCGNPLNY-UHFFFAOYSA-N 319.408 3.594 0 40 DHAB O=C(NC1(c2ccc(Cl)cc2)CC1)[C@H]1C[C@H]1c1cccnc1 71899812 VRNYYFAOXFIDEJ-HOTGVXAUSA-N 312.800 3.644 0 40 DHAB CC[C@@H](C)C(=O)NCCc1nc(-c2ccc(OC)cc2)cs1 72264890 ZHBFMBGLPGAXAC-GFCCVEGCSA-N 318.442 3.524 0 40 DHAB CCOc1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1 72331779 VHCVSCHKOZYIKD-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB N=c1oc2ccccc2cc1C(=O)Nc1ccc(F)c(Cl)c1 72408172 USZOBSFDIPSWKT-UHFFFAOYSA-N 316.719 3.957 0 40 DHAB CN(C(=O)Cc1n[nH]c2c(Cl)cccc12)C1CCCCC1 77894535 HZVPXAPZXDRTRG-UHFFFAOYSA-N 305.809 3.550 0 40 DHAB O=c1[nH]c([C@@H]2CSCCS2)nc2sc3ccccc3c12 79927919 ASINOZDPADENDB-JTQLQIEISA-N 320.464 3.659 0 40 DHAB Cc1ccc([C@@H](O)CN[C@H](C)c2ccccc2-n2cccn2)cc1 84148700 QYBFIDPEFVGDFE-UZLBHIALSA-N 321.424 3.565 0 40 DHAB CCCN1CCC(N(C)C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 84755290 BDSXXBHKLXTUBO-IRXDYDNUSA-N 306.494 3.558 0 40 DHAB CC(C)(NC(=O)c1cnc(C2CC2)s1)c1cccc(F)c1 95960492 XZUOBRVNZQZXCN-UHFFFAOYSA-N 304.390 3.825 0 40 DHAB COc1ccc(C(=O)/N=c2/sccn2C)cc1-c1ccccc1 102101115 YSCHLZCUHKGJJT-VHEBQXMUSA-N 324.405 3.503 0 40 DHAB COCc1cc(O)n2nc(-c3ccc(C(C)(C)C)cc3)cc2n1 104045002 KZQOXEUZXAAIID-UHFFFAOYSA-N 311.385 3.546 0 40 DHAB CN(C(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1 134632983 WWLDWADGEHWBMJ-UHFFFAOYSA-N 314.291 3.896 0 40 DHAB CC(C)CCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 140513687 GMZYCMPHXSYMGG-UHFFFAOYSA-N 304.365 3.576 0 40 DHAB Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc(F)cc1NC(C)C 183277283 SWUCYAXBMFWLDU-JTQLQIEISA-N 318.396 3.728 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)NCCc1ccc(Cl)cc1 224413368 ICYJMLPBNWNXLE-CQSZACIVSA-N 317.816 3.775 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)Cc1ccc(C)cc1C 224802733 QMFUJFWDWIZMDJ-LJQANCHMSA-N 316.489 3.617 0 40 DHAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 224907976 WYXLPWZFGPCBNK-UHFFFAOYSA-N 313.781 3.694 0 40 DHAB O=C(NCCc1ccccc1)c1ccc2sc(Cl)nc2c1 225977223 WQHQFSAQKYEIHR-UHFFFAOYSA-N 316.813 3.922 0 40 DHAB CC[n+]1cc(Br)cc(-c2nc3ccccc3o2)c1 226774737 AFVNJICVUWEBQC-UHFFFAOYSA-N 304.167 3.565 0 40 DHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)[nH]3)N21 260766243 JKVNMSSMJDLQJL-KCXAZCMYSA-N 312.442 3.698 0 40 DHAB Cc1ccc(NC(=O)N2CCC(c3nccs3)CC2)c(C)n1 408448520 WGRAOSXYZRBTFV-UHFFFAOYSA-N 316.430 3.566 0 40 DHAB CC(C)n1ccc(CN[C@H]2CSCCc3ccccc32)n1 561953297 PRELMYQMXCDFDA-KRWDZBQOSA-N 301.459 3.584 0 40 DHAB Cc1ccc(C)c(C(=O)NCC[C@H](CCO)c2cccs2)c1 575603418 GAYYOGNIFKVPIO-OAHLLOKOSA-N 317.454 3.651 0 40 DHAB CNc1nc(Cl)nc2c1C(C)(C)CN2c1ccc(F)cc1F 1772715218 ZQZQBAGTHLDQND-UHFFFAOYSA-N 324.762 3.879 0 40 DHAB O=C1C=C(NCCc2ccc(Cl)cc2)C2(CCCCC2)O1 36278 IHJRTBYGIVJTJI-UHFFFAOYSA-N 305.805 3.616 0 40 DHAB CC(C)NC[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1 1710542 WOXWPVLZRSXBLC-INIZCTEOSA-N 311.425 3.748 0 40 DHAB Cc1[nH]c2ccccc2c1SCC(=O)N1CCC(C)CC1 2718317 BIDATKRSBNAMDZ-UHFFFAOYSA-N 302.443 3.827 0 40 DHAB COc1ccc2cc(C(=O)CSc3ncccn3)ccc2c1 3265808 FMASBOXMWZGFJM-UHFFFAOYSA-N 310.378 3.613 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 3388403 XHZPJASNOWGPOU-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(CO)cc1 3419021 VXPGDHJHFHYARH-UHFFFAOYSA-N 311.164 3.843 0 40 DHAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(F)cc1 3514976 XJTWFNKRBCLIBX-NSHDSACASA-N 307.752 3.735 0 40 DHAB Cc1cccc(C)c1OCC(=O)N[C@@H]1CCCc2ccccc21 3606524 RFRXZYGFATYZJY-GOSISDBHSA-N 309.409 3.876 0 40 DHAB Cc1cccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 4090359 RUYVPHQGAAHCSM-UHFFFAOYSA-N 308.425 3.574 0 40 DHAB Cc1ccc(Nc2nc(NC(C)C)nc(NC(C)C)n2)cc1 5255731 ITLBJZDCBWNGAA-UHFFFAOYSA-N 300.410 3.564 0 40 DHAB CCCCN(CCCC)S(=O)(=O)c1cccc2cccnc12 5465600 TUSJZRCNHFPQIR-UHFFFAOYSA-N 320.458 3.826 0 40 DHAB C[C@H](c1ncc(C(F)(F)F)cc1Cl)c1n[nH]c(=S)n1C 5721077 IVJHUNBSVMNNOX-RXMQYKEDSA-N 322.743 3.697 0 40 DHAB CCc1cc2c(COC(=O)CCC(C)C)cc(=O)oc2cc1O 6000974 BPBAOIOQHFJSIZ-UHFFFAOYSA-N 318.369 3.540 0 40 DHAB Cc1ccc(F)cc1NC(=O)CSCc1c(C)noc1C 6510329 NBRMTDHKRAAHGJ-UHFFFAOYSA-N 308.378 3.611 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)c(F)c1 8049335 DCPDCDQPDHUFLN-AWEZNQCLSA-N 321.323 3.770 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 8097643 MGFBUQKAYZZWIW-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)nc(Cl)n1 8754460 ZHWGURVXRALGKV-UHFFFAOYSA-N 302.548 3.689 0 40 DHAB Cc1nc2c3c(C)c(C)sc3nc(NCc3ccccc3)n2n1 9420539 NMVBSNKZMBJIDL-UHFFFAOYSA-N 323.425 3.876 0 40 DHAB CC[C@@H](CNC(=O)c1cccc(NC(C)=O)c1)c1ccccc1 9607148 ALMZHJLVQLHZFX-HNNXBMFYSA-N 310.397 3.569 0 40 DHAB CCOc1ccccc1C(=O)NCC1(c2ccc(F)cc2)CC1 11899726 ONVVBUZQSNKRRS-UHFFFAOYSA-N 313.372 3.686 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccccc2C(C)(C)C)C1 12170263 VMQLBGCPIVMCQJ-BRWVUGGUSA-N 319.489 3.702 0 40 DHAB C[C@@]12C[C@@H](NC(=S)N1c1ccccc1F)c1ccccc1O2 12415476 OOXGMAHIANFIIA-CXAGYDPISA-N 314.385 3.760 0 40 DHAB COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12602900 IZPGVWGNJTYPGT-KRWDZBQOSA-N 321.380 3.549 0 40 DHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccccn1 12679848 LJDUYIVQGAYFGW-MRXNPFEDSA-N 312.369 3.802 0 40 DHAB COC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 13000262 RTODORLGTLVDFK-UHFFFAOYSA-N 312.365 3.766 0 40 DHAB CCc1cccc2cc(CNCCc3ccccc3C)c(=O)[nH]c12 13566700 ZTMOPLODQPWPSF-UHFFFAOYSA-N 320.436 3.731 0 40 DHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccsc2)cc1 13698144 WOPSGIRMHOPJBZ-UHFFFAOYSA-N 303.427 3.741 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)CCC(=O)c1cccs1 14118842 UYUGFTSRZUXTIW-LBPRGKRZSA-N 317.410 3.597 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2cccc3ccccc23)C1 14202086 HFXCITHPWPIGGI-JFIYKMOQSA-N 313.441 3.557 0 40 DHAB COC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1 14664014 IGOLSDQPWAWBTE-UHFFFAOYSA-N 313.353 3.513 0 40 DHAB CC(C)(C)c1ccc(O)c(NC(=O)c2n[nH]c3ccccc23)c1 17361186 FCMNPJDCHOBULC-UHFFFAOYSA-N 309.369 3.818 0 40 DHAB O=C(N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccccn1 19373844 ALPSQXVJYVYTNK-CAMMJAKZSA-N 306.409 3.784 0 40 DHAB CCc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccccc1 19812561 NUGGIDZNPRELRS-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB CC(=O)Oc1cccc(NC(=O)CSc2ccc(C)cc2)c1 21025480 RRSMMQCFZVWXSW-UHFFFAOYSA-N 315.394 3.651 0 40 DHAB Cc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)no1 27664255 MQSYJFLUNDGXGK-UHFFFAOYSA-N 308.337 3.668 0 40 DHAB C[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1ccccc1 31205029 VADWZHNZLMMNBE-ZDUSSCGKSA-N 315.417 3.567 0 40 DHAB Cc1cccc2sc(NC(=O)[C@@H](C)OCC(F)(F)F)nc12 31688146 NSUCFOVZRMBONQ-MRVPVSSYSA-N 318.320 3.511 0 40 DHAB O=C(Cc1ccc2c(c1)CCCC2)N[C@H]1CCc2ccccc21 32843568 RMUNHNPJMZKGLX-FQEVSTJZSA-N 305.421 3.912 0 40 DHAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)cc1 36561535 TUUUYDXMIAZNDQ-OAHLLOKOSA-N 313.397 3.558 0 40 DHAB O=C(NCc1ccccc1N1CCCC1)Nc1ccccc1F 39563753 TVUDQLBEWAAXCR-UHFFFAOYSA-N 313.376 3.748 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCCC[C@@H]1C(F)(F)F 40553254 NWOQMBOLOUFMBT-BDAKNGLRSA-N 319.352 3.723 0 40 DHAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(C)c(C)c1 45890160 NWOFHKNCTWXNRY-UHFFFAOYSA-N 312.413 3.774 0 40 DHAB CN(Cc1csc2ccccc12)C(=O)COC1CCCC1 53312131 UTGQFPVVWOHKLO-UHFFFAOYSA-N 303.427 3.819 0 40 DHAB CC[C@H](C)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 56365857 XLFNMFFCRXRQMO-ZDUSSCGKSA-N 309.837 3.551 0 40 DHAB Cc1nc2ccccc2n1C[C@@H](O)c1ccc(OC(F)F)cc1 58140468 BBQRVNLGANCMLJ-MRXNPFEDSA-N 318.323 3.680 0 40 DHAB COc1cccc2cc(C(=O)N(Cc3cccn3C)C3CC3)oc12 62018290 UKUCVMHPNPJENA-UHFFFAOYSA-N 324.380 3.585 0 40 DHAB c1ccc2c(OCCN3CCC[C@H](N4CCCC4)C3)cccc2c1 65041084 KFOKGENZFCUCPZ-IBGZPJMESA-N 324.468 3.779 0 40 DHAB CCOC(=O)Nc1nnc(SCc2ccccc2F)s1 65622825 FYUMGAHXTCGAAY-UHFFFAOYSA-N 313.379 3.538 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)c2cc3ccccc3o2)c1 65700518 IZQKTYSRBKZGGL-UHFFFAOYSA-N 309.365 3.858 0 40 DHAB C[C@H](CC[C@H]1CCCO1)NC(=O)/C=C/c1ccnc2ccccc12 71910548 OUAATNTVCPGAJT-WCQDORBPSA-N 324.424 3.712 0 40 DHAB O=C(C[C@H]1CCCO1)NC(c1cccs1)c1cccs1 71915268 PHGSMBRHOUBATK-LLVKDONJSA-N 307.440 3.584 0 40 DHAB CCN(C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72212805 QTJUEMLWFTXLHD-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB Cn1cccc1[C@H]1CCCN1C(=O)CSCc1ccccc1 72273150 FVTKTHVUVKHTQM-QGZVFWFLSA-N 314.454 3.622 0 40 DHAB COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(C)=O)CCO2 72296718 XUVXQRUXUFLNBC-GOSISDBHSA-N 311.381 3.568 0 40 DHAB Fc1cccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1F 72300002 KPTXBTCAFZCXFP-CYBMUJFWSA-N 319.355 3.605 0 40 DHAB C[C@@H](CC(=O)NCC[C@H](O)c1ccccc1)C1CCCCC1 72303076 RXSWPEMAVGZALA-YJBOKZPZSA-N 303.446 3.833 0 40 DHAB CCOc1ccc(CNC(=O)c2cc(Cl)ccc2OC)cc1 72331734 IYSALYIADSGRMH-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB Cc1cnccc1NS(=O)(=O)c1cc(Cl)sc1Cl 79029283 HVEHRUDLMBJCHR-UHFFFAOYSA-N 323.226 3.559 0 40 DHAB COc1cc(C)c([C@H](C)NCc2cccc(O)c2)cc1OC 79331134 YDTIJYFBQPGYCR-ZDUSSCGKSA-N 301.386 3.569 0 40 DHAB O=C(O)c1ccc(/C=C2/C(=O)c3ccccc3OC23CCC3)cc1 95409498 FLYJAQNLVKXGEW-VBKFSLOCSA-N 320.344 3.966 0 40 DHAB OCc1ccccc1NCc1cccc(OCc2ccccn2)c1 95428605 KVCQAHIVSZZOED-UHFFFAOYSA-N 320.392 3.765 0 40 DHAB C[C@@H](O)CC(C)(C)CNC(=O)c1cc(Cl)ccc1Cl 95962440 XCXAIXKIOHZOAT-SECBINFHSA-N 304.217 3.520 0 40 DHAB Cc1nnc(-c2ccccc2C(=O)OCc2ccc(F)cc2)o1 96002334 OASKEXOGDFEKTO-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB CC1(C)CCC[C@H]2[C@]3(C)CC[C@@](C)([C@H](O)CO)C[C@H]3CC[C@@]21O 96023893 OBDGLMHTEAXTDJ-FDGFBPQASA-N 324.505 3.504 0 40 DHAB biogenic CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccc(O)cc1 97228126 FPCWQKHJAUBHQE-UHFFFAOYSA-N 302.349 3.533 0 40 DHAB CC(C)c1nnc(NCc2cnc(-c3ccccn3)s2)s1 97231671 QNSURVIEEIIIGZ-UHFFFAOYSA-N 317.443 3.792 0 40 DHAB CC(=O)OC[C@]12CO[C@H](c3cccnc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105365092 LANFJOBBEPUSIU-ITOHMHRPSA-N 315.413 3.551 0 40 DHAB biogenic C[C@@H](CNC(=O)CSCc1ccc(F)cc1)c1ccccc1 224379026 KWHXRHDMHIGYKL-AWEZNQCLSA-N 317.429 3.979 0 40 DHAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 225130805 AOPNRWCPAUIXQH-UHFFFAOYSA-N 315.847 3.925 0 40 DHAB CC(C)Oc1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 225324092 BLKFJZSTOWRFQX-WOSRLPQWSA-N 304.459 3.949 0 40 DHAB C[C@@H]1C[C@H](NC(=O)c2nc(Cl)c(Cl)[nH]2)CC(C)(C)C1 255189407 PQDWJCQALFHMLQ-SFYZADRCSA-N 304.221 3.661 0 40 DHAB Cc1cn(C)c([C@@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)n1 257220301 DKHXYHFKDQLUGA-CQSZACIVSA-N 323.362 3.737 0 40 DHAB COc1ccccc1C(=O)Oc1ccc(-c2ccc(C)cc2)nn1 408532370 XHLABOMSVYCDTI-UHFFFAOYSA-N 320.348 3.680 0 40 DHAB COc1ccc(/C=C(\c2ccccc2)c2nnc(N)s2)cc1 408718120 KPEFMFCVHMJBDJ-RVDMUPIBSA-N 309.394 3.718 0 40 DHAB CCOc1ccccc1C(=O)NCc1cncc(-c2ccoc2)c1 575619283 CBCDOCGVJURXTD-UHFFFAOYSA-N 322.364 3.670 0 40 DHAB CCN1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 585103781 JQESWIBFYMSCNF-UHFFFAOYSA-N 320.436 3.701 0 40 DHAB Cc1ccc(NC(=O)NCCn2nc(C3CC3)cc2C2CC2)cc1 585300146 LPARKVGPJQFQQM-UHFFFAOYSA-N 324.428 3.768 0 40 DHAB COc1nc(Cl)nc(Nc2ccccc2-c2ccccc2)n1 53634 LPSDOIZRJUFXDH-UHFFFAOYSA-N 312.760 3.944 0 40 DHAB COc1cc(N[C@H]2OC(=O)c3ccccc32)c(OC)cc1Cl 100218 JMJLOFCOIZQUDO-HNNXBMFYSA-N 319.744 3.638 0 40 DHAB COc1cccc(C(=O)CCN2CC[C@H](c3ccccc3)C2)c1 177642 VWHWKEXIFJIXIB-SFHVURJKSA-N 309.409 3.758 0 40 DHAB Cc1ccc(N2C(=O)[C@H](CN3CCCC3)[C@@H]2c2ccccc2)cc1 1394080 WZTQWILGFCKYHD-UXHICEINSA-N 320.436 3.795 0 40 DHAB Cc1ccc(OCCCC(=O)NCCc2ccccc2)c(C)c1 1913966 PNGSTNBZQYRRMZ-UHFFFAOYSA-N 311.425 3.821 0 40 DHAB Cc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1C 2623583 IHMZGWGACCPIHH-UHFFFAOYSA-N 305.377 3.973 0 40 DHAB COc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)coc2c1 3524895 ZREIRMCPBFQWHQ-ZDUSSCGKSA-N 309.365 3.861 0 40 DHAB O=C1Nc2ccccc2/C1=C/c1cnc(N2CCCCC2)s1 4051271 ICWVVIDPHHJAQI-UVTDQMKNSA-N 311.410 3.626 0 40 DHAB COc1ccc2nc(Nc3ccc4c(c3)OCO4)sc2c1 4057212 DULCAPQAGNFPDI-UHFFFAOYSA-N 300.339 3.777 0 40 DHAB O=C(Nc1nnc(Cc2ccccc2F)s1)c1cccs1 4178889 VXXHTJPXOKIWTL-UHFFFAOYSA-N 319.386 3.582 0 40 DHAB CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCCCCC1 4190505 HXCDVFLRVSWOGS-MRXNPFEDSA-N 305.470 3.751 0 40 DHAB CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 4696288 AFGAGJUCRMRRSO-UHFFFAOYSA-N 318.323 3.812 0 40 DHAB COc1ccc2scc(N3C[C@@H](C)C[C@H](C)C3)c(=O)c2c1 5202575 DLVHUKMWIIOQNP-RYUDHWBXSA-N 303.427 3.752 0 40 DHAB O=C1CSC2=NC3=C(CCC3)[C@@H](c3ccc(Cl)cc3)N12 5570056 PBELVVXHQTXPEM-CQSZACIVSA-N 304.802 3.764 0 40 DHAB CC(C)Sc1ncc(Cl)c(C(=O)NCc2ccccc2)n1 6748062 ZLROPWKYTSJFMC-UHFFFAOYSA-N 321.833 3.561 0 40 DHAB CCc1ccc(NC(=S)NCc2ccc(OC)cc2)cc1 6941331 TTYXKWLLUXIAAL-UHFFFAOYSA-N 300.427 3.744 0 40 DHAB CC(=O)c1ccc(NC(=O)CSCc2cccc(F)c2)cc1 7145948 GOLPUZLWFSNQKH-UHFFFAOYSA-N 317.385 3.900 0 40 DHAB O=C(CN1CCCCCC1)Nc1cccc(C(F)(F)F)c1 7781909 XFXKTCPZKOIPLO-UHFFFAOYSA-N 300.324 3.520 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 7924321 IBGPGGXWBDFBFK-GOSISDBHSA-N 313.397 3.831 0 40 DHAB CN(C)c1cccc(C(=O)NCCCn2ccc3ccccc32)c1 7989508 PLFUFSKQWGHIBI-UHFFFAOYSA-N 321.424 3.527 0 40 DHAB CC(C)OCCCNc1ncnc2sc3c(c12)CCCC3 8674013 AGCMSPOAKULYSE-UHFFFAOYSA-N 305.447 3.797 0 40 DHAB O=C(/C=C/c1ccsc1)Nc1ccccc1N1CCCC1=O 9156289 YSABDGJXDGHAIQ-BQYQJAHWSA-N 312.394 3.527 0 40 DHAB COc1ccc(Cl)cc1-c1nc2c3ccccc3ncn2n1 9303525 NBGBNBXEFBOIMZ-UHFFFAOYSA-N 310.744 3.607 0 40 DHAB CCCCn1cnc2cc(NC(=O)COc3ccccc3)ccc21 9356220 JOMSQAINDMSZRS-UHFFFAOYSA-N 323.396 3.854 0 40 DHAB COc1cccc(-c2nnc3sc(/C=C/c4ccco4)nn23)c1 10311725 HQMRYFDAXFCZRT-BQYQJAHWSA-N 324.365 3.625 0 40 DHAB CCOc1ccccc1Nc1nc(SC)nc2c1CCC2 11907791 WXPSLOLFSJTWGM-UHFFFAOYSA-N 301.415 3.830 0 40 DHAB Cc1nn(C(C)C)c(C)c1CN(C)CCOc1ccccc1 12188748 KWEBWTBFVPANRP-UHFFFAOYSA-N 301.434 3.592 0 40 DHAB O=C(NCc1cc(-c2cccs2)on1)c1ccc(Cl)cc1 12235769 YPEVTEUJNZPIKK-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB O=C(NC1CCCCCC1)c1ccc(Br)s1 13001403 IXLAJPPZQAXAPI-UHFFFAOYSA-N 302.237 3.963 0 40 DHAB C[C@@H](NC(=O)CN1CCc2ccccc21)c1ccc(Cl)cc1 13041124 YRNGAGUBKPVCOW-CYBMUJFWSA-N 314.816 3.580 0 40 DHAB Cc1ccc2nc(SCC(=O)c3cc(C)n(C)c3C)[nH]c2c1 13133390 NRCLMCPBPJZHNZ-UHFFFAOYSA-N 313.426 3.802 0 40 DHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)c1ccccc1 14205962 WLPZMDZGICOQMF-UHFFFAOYSA-N 314.410 3.682 0 40 DHAB Cc1ccc(C)c(Cn2c([C@@H](C)NC=O)nc3ccccc32)c1 15413765 ZJDYITWIGAEZJM-OAHLLOKOSA-N 307.397 3.508 0 40 DHAB Cc1cc(OCC(=O)Nc2cccc(N)c2C)ccc1Cl 19736244 VUNYYLODJVJDOK-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccc(N)cc2Cl)cc1 19982343 HPFIZASQRGMEMA-UHFFFAOYSA-N 304.777 3.502 0 40 DHAB COc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C)cc1 20046922 AYZYVTJCGITINH-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB Cc1occc1C(=O)N[C@H](C)c1ccccc1Br 20937672 WENYRAVJKDGMBF-SECBINFHSA-N 308.175 3.842 0 40 DHAB C[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 23864218 XQKWUFVWEBZNTG-JTQLQIEISA-N 313.781 3.519 0 40 DHAB CC1(C)COC(CN(Cc2ccccc2)Cc2ccccc2)=N1 24716650 XTGLRZAIAFIHJY-UHFFFAOYSA-N 308.425 3.896 0 40 DHAB biogenic COc1ccc(NC(=O)/C=C/c2ccccc2)c2cccnc12 32593391 OFPQARSFBCWQKC-FMIVXFBMSA-N 304.349 3.895 0 40 DHAB biogenic CCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623252 ZUFNBMIUSQXZHE-UHFFFAOYSA-N 311.316 3.891 0 40 DHAB COc1ccc(NC(=O)CSC[C@@H]2CC2(Cl)Cl)cc1 32772154 VBYHXYICZSUAQN-VIFPVBQESA-N 320.241 3.561 0 40 DHAB CCCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3S2)s1 32878938 RARMECAXJZEGJE-LBPRGKRZSA-N 319.455 3.536 0 40 DHAB CC[C@@H](C)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 32895976 XOTTXDJOSDOLAP-SECBINFHSA-N 304.371 3.523 0 40 DHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(F)cc1Cl 32931289 XNHJQEKZJREILV-XHDPSFHLSA-N 313.800 3.804 0 40 DHAB O=C(c1ccccc1Br)N1CCOC12CCCCC2 35671188 XBWOWXATGQVOBQ-UHFFFAOYSA-N 324.218 3.582 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1cccc2cccnc12 40025184 GUAITQRALRVCEI-UHFFFAOYSA-N 302.377 3.696 0 40 DHAB CN(Cc1ccco1)C(=O)c1cccnc1Oc1ccccc1 44716462 MYURSKDCCRCWKE-UHFFFAOYSA-N 308.337 3.739 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1ccco1 48368640 IMVCGCCJDYTOMN-GFCCVEGCSA-N 310.353 3.663 0 40 DHAB Cc1nn(C)c2c1[C@H](c1cccc(Cl)c1)SCC(O)=N2 49544725 XKLRJBIYIWSJPA-ZDUSSCGKSA-N 307.806 3.806 0 40 DHAB Cc1cc(NC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)no1 53248550 ZQOUBUHEOYAXSB-VIFPVBQESA-N 313.279 3.885 0 40 DHAB Cc1cnc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)s1 54653510 KXFATDALQCOABA-ZIAGYGMSSA-N 302.399 3.558 0 40 DHAB Cn1c([C@@H]2CCCCN2C(=O)C[C@H]2C=CCC2)nc2ccccc21 54666727 DQTDIPIOMVOPFT-YJBOKZPZSA-N 323.440 3.983 0 40 DHAB O=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccncc1 54702525 NHMIZAAXGVWYQC-MRXNPFEDSA-N 307.378 3.914 0 40 DHAB C[C@@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2ccncc2)cc1 74296782 CACJXTSCEAIBTJ-CYBMUJFWSA-N 321.355 3.774 0 40 DHAB CCSCC[C@@H](C)N(C)C(=O)Nc1cccnc1Cl 75546341 VUZOFIZWBTUNQR-SNVBAGLBSA-N 301.843 3.730 0 40 DHAB Cn1ccnc1-c1cccc(NC(=O)N2CC[C@@H]3CCCC[C@H]32)c1 77445032 KLAUQSMGVWPVDI-WMLDXEAASA-N 324.428 3.884 0 40 DHAB CC(C)(C)c1cc(NC(=O)N2CCSCC2)n(C(C)(C)C)n1 78525116 PDNRRCNENCWXER-UHFFFAOYSA-N 324.494 3.516 0 40 DHAB CCn1c([C@@H]2CCCN2Cc2cc(C)no2)nc2ccccc21 84131708 OOVFSGFLLFOXBA-KRWDZBQOSA-N 310.401 3.690 0 40 DHAB CC(C)[C@H](C)N(C(=O)N[C@H](c1nccs1)C1CC1)C1CC1 86424642 WQHCPYZSAFVAAT-FZMZJTMJSA-N 307.463 3.813 0 40 DHAB Fc1ccc([C@H]2CCCN2Cc2nc(-c3ccccn3)no2)cc1 89884660 OQDNUAFHHHXOCE-MRXNPFEDSA-N 324.359 3.608 0 40 DHAB O=C(O)CO[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F 95096396 QHSVLUUIRLQPND-SECBINFHSA-N 303.063 3.698 0 40 DHAB C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CC1(O)CCCCC1 95455936 GMMAQSYEPXDLMF-ZIAGYGMSSA-N 319.420 3.745 0 40 DHAB CC(C)(C)Oc1ccc(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 95633975 YMVQPYIMCZAIHK-HUUCEWRRSA-N 302.370 3.714 0 40 DHAB C/C(=C\C(=O)NCCc1ccccn1)C12CC3CC(CC(C3)C1)C2 96401891 MESZJIUBPOUFMS-OVCLIPMQSA-N 324.468 3.903 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 100537925 DBXPNVANMQOOSH-XMUKKISLSA-N 310.180 3.529 0 40 DHAB Cc1ccc(C2=C[C@@H](c3ccc(F)cc3F)n3ncnc3N2)cc1 102319961 KIOCQRSBAFDZKK-KRWDZBQOSA-N 324.334 3.921 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CCC[C@H](C)C1 216864875 GJTZWPDMGLNXPE-LBPRGKRZSA-N 303.450 3.798 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(F)cc2)cc1C 223481391 UTURLWFNFLFXNL-CQSZACIVSA-N 315.388 3.953 0 40 DHAB CC(C)n1c(=O)sc2cc(NC(=O)c3cccs3)ccc21 225133004 WZYKQUNHZGODPP-UHFFFAOYSA-N 318.423 3.958 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(F)s2)cc1Cl 225388145 HFROIKDCRWYGLT-UHFFFAOYSA-N 305.783 3.650 0 40 DHAB Fc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225779727 JEBWUZQKRXPBOS-UHFFFAOYSA-N 324.808 3.845 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](SC1=NN[C@@H]3CCCC[C@@H]13)C2=O 253592578 XJRJIPQHVKZMKW-FVMAARLESA-N 306.475 3.589 0 40 DHAB CCn1ccs/c1=N\C(=O)c1ccc(Cl)cc1Cl 408560078 BUQNNOLZWXMVEQ-QINSGFPZSA-N 301.198 3.617 0 40 DHAB COc1cc(C)nc(CN[C@H]2CCc3sc(Cl)cc32)c1 574964555 KRQCLAQLGQRDFC-ZDUSSCGKSA-N 308.834 3.891 0 40 DHAB CN(C)c1cccc(C(=O)NCC(c2ccco2)c2ccco2)c1 675007625 BEWDAQXSKDPGFZ-UHFFFAOYSA-N 324.380 3.501 0 40 DHAB C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)c1ncc2ccccn12 1532418519 CAUCBCOSYSOLFD-QWHCGFSZSA-N 323.421 3.864 0 40 DHAB O=C(NCC1(c2ccsc2)CC1)c1nc2ccccc2s1 1889053488 NCKKSAHMRVVCOH-UHFFFAOYSA-N 314.435 3.819 0 40 DHAB CCCCCCN1C(=O)/C(=C/c2ccccc2)N(C)C1=S 2153715 DTVUUOVIQRVSET-SQFISAMPSA-N 302.443 3.667 0 40 DHAB CCOC(=O)CCCCC(=O)c1cccc(CN2CCCC2)c1 2515099 HVJHGRYSLRHPNW-UHFFFAOYSA-N 317.429 3.589 0 40 DHAB Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 2966480 HKVOBOFLHBOLHL-OAQYLSRUSA-N 321.444 3.645 0 40 DHAB COc1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1 6252550 ICPFSMMDEZHKKD-MRXNPFEDSA-N 311.425 3.765 0 40 DHAB O[C@@H](CO[C@@H]1CCCc2ccccc21)CN1CCCCCCC1 6583807 RDVNDTFDPTYHQY-UYAOXDASSA-N 317.473 3.708 0 40 DHAB O=C(Nc1cccc(Br)c1)c1cc(F)cc(F)c1 7609551 WVPVAKGLBWIMHB-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CCCCCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 7997182 WAAUHQJRAWHJNS-JTQLQIEISA-N 315.439 3.938 0 40 DHAB O=C(O)Cc1csc(Nc2cc(Cl)cc(Cl)c2)n1 8024890 NCOJLVAZZSOBPA-UHFFFAOYSA-N 303.170 3.821 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)NC1CCCCCC1 8499893 UPKUHEYZOCQXHJ-HNNXBMFYSA-N 305.418 3.692 0 40 DHAB O=C(CSc1ccccc1F)NCc1cccc(Cl)c1 9513289 JTXGZSAZGONTER-UHFFFAOYSA-N 309.793 3.888 0 40 DHAB O=C(Nn1cnc2ccccc21)c1cccc(Cl)c1Cl 12558862 ONOKITLIPOKTJF-UHFFFAOYSA-N 306.152 3.727 0 40 DHAB Cc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c(Cl)c1 12783912 ZITNENVRRGFMDE-UHFFFAOYSA-N 317.698 3.502 0 40 DHAB Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1C 14790676 DERKQXLUBHERNO-HNNXBMFYSA-N 316.426 3.853 0 40 DHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc2ncccc12 15980109 GLKGGWLJPXZWJF-UHFFFAOYSA-N 322.339 3.976 0 40 DHAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(Br)c1 16386168 KAPLUGSDFTUCTG-LOWVWBTDSA-N 308.219 3.615 0 40 DHAB Cc1c(C(=O)N2CCCCCC2)oc2c1C(=O)CC(C)(C)C2 16740296 YDYVVTKECFKLGR-UHFFFAOYSA-N 303.402 3.759 0 40 DHAB Cc1ccc(NC(=O)c2ccccc2Br)c(N)c1 20343259 FCZYRKHYUVFEAP-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C 20450780 MORYWFDUJNHTQK-QGZVFWFLSA-N 301.361 3.608 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2F)c(C)c1 30861541 QTMFXOFFXFZVOB-AWEZNQCLSA-N 321.417 3.623 0 40 DHAB CC[C@H](O)[C@@H](O)/C=C\C/C=C\CCCCCCCCC(=O)O 36378897 IQWYIIPDFISFMV-JSEILMSESA-N 312.450 3.826 0 40 DHAB biogenic,in-vitro CCc1ccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)cc1 36635570 AKWOWYIYFBVPPU-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB CCCCOc1ccc(CCNC(=O)[C@@H]2CC=CCC2)cc1 40122374 YNOOMTCQJWCOPI-QGZVFWFLSA-N 301.430 3.881 0 40 DHAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Br)s1 40214963 MTLHCIUMYMZQOJ-UHFFFAOYSA-N 322.187 3.639 0 40 DHAB CCc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42770584 XCRXFNBRGIWFDT-ZDUSSCGKSA-N 312.251 3.923 0 40 DHAB CCCCc1nc(C)c(C(=O)N[C@@H](C)c2ccncc2)s1 44935070 UGQKSHUKIMFYGO-NSHDSACASA-N 303.431 3.680 0 40 DHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCOC(C)C)c1 48323627 OESBBBRSKDWHQA-MRXNPFEDSA-N 321.461 3.817 0 40 DHAB CC(C)OC(=O)c1ccc(I)c(Cl)c1 57351532 YIKHKXANEOVENL-UHFFFAOYSA-N 324.545 3.510 0 40 DHAB Cc1ccccc1Cn1ccn2nc(-c3ccccc3)cc2c1=O 64977491 STEYUBMVSBVXLQ-UHFFFAOYSA-N 315.376 3.520 0 40 DHAB O=C1COc2ccccc2CN1c1cccc(C(F)(F)F)c1 65184292 UAFVODBPSVIYMC-UHFFFAOYSA-N 307.271 3.631 0 40 DHAB Cc1csc([C@H]2CN(Cc3csc(C(C)C)n3)CCO2)n1 65473890 SOMWLWOPCAGJDO-CYBMUJFWSA-N 323.487 3.605 0 40 DHAB O=C(Nc1ccn(-c2ccccc2)n1)[C@@H]1C[C@H]1c1cccc(F)c1 67033830 JJIPEJPFZHKJLB-DLBZAZTESA-N 321.355 3.754 0 40 DHAB CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccccc23)CC1 71257569 XVOLPXSAAZXUSP-UHFFFAOYSA-N 301.390 3.677 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2)cn1 72214841 PKGGCXVBIPODIH-CQSZACIVSA-N 305.422 3.656 0 40 DHAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(C)C)C1 72383513 ZSOUVQTVDJWYPQ-OAHLLOKOSA-N 312.417 3.560 0 40 DHAB CC(C)Sc1ccc(NCCCc2nc(C(C)C)no2)nn1 72944822 ZYBJCALYLOZLEQ-UHFFFAOYSA-N 321.450 3.528 0 40 DHAB C[C@H](NC(=O)N[C@H](C)CCCO)c1ccc(Cl)cc1Cl 88479110 GVIQQDLUMQSUIQ-ZJUUUORDSA-N 319.232 3.515 0 40 DHAB Cc1cccc([C@@H](NC(=O)c2cccnc2C)c2ccccn2)c1 95452179 VYBKZIUWHUZIFB-LJQANCHMSA-N 317.392 3.613 0 40 DHAB CC(C)C[C@H](NC[C@@H](O)c1ccccc1F)c1ccccn1 95967386 POFNULPCOJSEBD-ZWKOTPCHSA-N 302.393 3.631 0 40 DHAB CSc1ccc(NC(=O)N(C)Cc2cnccn2)cc1Cl 96447273 NZUCTPQONRUKRQ-UHFFFAOYSA-N 322.821 3.516 0 40 DHAB Cc1csc(-c2nc(O)c3c4c(sc3n2)CSCC4)n1 97115157 PDEVEGZOSZEWCN-UHFFFAOYSA-N 321.452 3.618 0 40 DHAB O=c1[nH]c2c(s1)[C@@H](c1ccco1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100288078 PGOHYRVPWXTGJJ-DKLQEMNFSA-N 305.424 3.682 0 40 DHAB CCCCCCN1N=C(C)[C@H](C(=O)c2ccc(Cl)cc2)C1=O 100491244 ZETUYCPVLHVEOY-OAHLLOKOSA-N 320.820 3.937 0 40 DHAB COc1ccc2c(c1)CCN(c1ccc(Cl)cc1)[C@@H]2C(=O)O 103074688 YCZHXFZBFUUDGE-INIZCTEOSA-N 317.772 3.537 0 40 DHAB Cc1ccc(-n2c(S)nc3cc(Cl)ccc3c2=O)cc1C 103962105 MQZCEVRJSXAXKV-UHFFFAOYSA-N 316.813 3.945 0 40 DHAB C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCOC2(CCCC2)C1 136493654 QWIORALZDTZFSP-NVXWUHKLSA-N 303.446 3.795 0 40 DHAB COc1ccccc1[S@@](=O)Cc1ncc(Cl)cc1Cl 163602812 VBDNQVVVGWHUCT-LJQANCHMSA-N 316.209 3.705 0 40 DHAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)s1 225388086 USJSSNJYYSHGIS-UHFFFAOYSA-N 305.783 3.650 0 40 DHAB O=C(CSC1CCCC1)NCc1ccnc(-c2ccco2)c1 225656384 POROORYXVWJFSB-UHFFFAOYSA-N 316.426 3.634 0 40 DHAB CCC1(NC(=S)Nc2cccc(C(=O)OC)c2C)CCCC1 225859001 FPLJOPJYKOYLJP-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB CC(C)N1CC[C@@H](Cc2cccc(-c3ccnn3C(C)C)n2)C1 257325486 WTBYTXXITFTNES-INIZCTEOSA-N 312.461 3.799 0 40 DHAB O=C1S/C(=C\c2ccccc2)C(=O)N1CCc1ccccc1 409006396 JHMSDWCISYLYNJ-SSZFMOIBSA-N 309.390 3.966 0 40 DHAB Cc1cc2c(cc1-c1ccnc3ncnn13)NC(C)(C)C[C@@H]2C 575473163 KGOHOTXZQWBOEE-LBPRGKRZSA-N 307.401 3.797 0 40 DHAB Fc1ccc(F)c(C(F)(F)F)c1I 575693976 BMFITXWQQRGVIH-UHFFFAOYSA-N 307.987 3.588 0 40 DHAB O=C1O[C@H](c2ccc(Br)cc2)O[C@@H]1c1ccccc1 64902 HXUYARVRVOCELX-UKRRQHHQSA-N 319.154 3.762 0 40 DHAB Cc1cc(C)c2ccc(NC(=O)c3cccnc3Cl)nc2n1 160966 OETFSDWMHWZALU-UHFFFAOYSA-N 312.760 3.547 0 40 DHAB Cc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 189402 GAZAAQJWMDDMDZ-UHFFFAOYSA-N 315.442 3.946 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccccc2Br)cc1 362837 IOOIPKSNNDTFDE-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB COc1ccc(-n2c(CC(C)C)nc3ccccc3c2=O)cc1 485566 UZZXZEWCCFRUCK-UHFFFAOYSA-N 308.381 3.593 0 40 DHAB biogenic CCc1c(C)c2ccc(O[C@H]3CCCCC3=O)c(C)c2oc1=O 489392 FUKQFVKPKIBOGB-KRWDZBQOSA-N 314.381 3.863 0 40 DHAB biogenic COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1c(C)cccc1C 551747 ALPBAZZVIRWSTE-KRWDZBQOSA-N 313.353 3.602 0 40 DHAB Cc1ccn2cc(C(=O)Nc3nc4ccccc4s3)nc2c1 928620 GCMARTNJMAUTDT-UHFFFAOYSA-N 308.366 3.505 0 40 DHAB CCOC(=O)CCCCCCC(=O)c1c(OC)cccc1OC 2580436 YSFIEJZHTQCFCB-UHFFFAOYSA-N 322.401 3.790 0 40 DHAB CCc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 2692771 MITPXEHZXUWRMG-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB CN(C[C@@H](O)COc1cccc2ccccc12)C1CCCCC1 3293102 KEEFQICJHPCWPG-GOSISDBHSA-N 313.441 3.844 0 40 DHAB Cc1nnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)s1 3389050 CGOZBUBGYUFPMM-SSDOTTSWSA-N 313.835 3.619 0 40 DHAB Cc1ccccc1NC(=O)CNc1cccc(Br)c1 3410883 MOISTJBEQDGFGB-UHFFFAOYSA-N 319.202 3.808 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2)cc1 3452776 IDVIOXWEHRVILP-CQSZACIVSA-N 323.421 3.939 0 40 DHAB CCCCCC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 4178899 GCGFTMVYXMKFGY-UHFFFAOYSA-N 307.394 3.787 0 40 DHAB CCc1cc(=O)oc2cc(OCc3ccc(C(=O)O)cc3)ccc12 4745970 SAPUUAVIUWAMQD-UHFFFAOYSA-N 324.332 3.633 0 40 DHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccn1 5336490 AAGFPRIRJRPWAH-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2)c1 5609845 OVUJWERXLWEAIP-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB CCCCC[C@H](O)CCc1nnc(S)n1C1CCCCC1 5866251 CPBPFVDCXYNQLQ-AWEZNQCLSA-N 311.495 3.946 0 40 DHAB C=Cc1ccc(Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1 6767431 HDVQBKQXTCNMKR-UHFFFAOYSA-N 302.377 3.910 0 40 DHAB Cc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)o1 7738642 QITUYWPDOJTEPJ-CYBMUJFWSA-N 309.369 3.573 0 40 DHAB Cc1cc(C)cc(NC(=O)CN2CCc3sccc3[C@@H]2C)c1 7878353 FBYQNPHGZVTTDR-AWEZNQCLSA-N 314.454 3.923 0 40 DHAB CCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)C)cc1 8392585 OCHOHCUIQWDMOD-GOSISDBHSA-N 317.454 3.925 0 40 DHAB OCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 8786074 HIHKHMCGHYDMBT-UHFFFAOYSA-N 321.207 3.926 0 40 DHAB COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 12542305 DFHUNVOUFLBNJZ-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB Cc1cc(C)cc(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 12769370 FAYVUDQXMBUVJA-AWEZNQCLSA-N 308.381 3.681 0 40 DHAB Cc1noc(C)c1CSc1nc(CCC2CCCC2)n[nH]1 12774878 XZXATJJYNXNDEC-UHFFFAOYSA-N 306.435 3.825 0 40 DHAB O=S(=O)(Nc1cccc2ccccc12)c1cc(F)ccc1F 14257001 DQFBVEKUZZETKQ-UHFFFAOYSA-N 319.332 3.919 0 40 DHAB C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 17908525 IJYVGEQVZVFDTH-GFCCVEGCSA-N 302.805 3.897 0 40 DHAB CN(Cc1ccccc1)C(=O)c1noc2c1CCc1ccccc1-2 20219919 BBYYNGILRGTMGH-UHFFFAOYSA-N 318.376 3.712 0 40 DHAB COC(=O)c1c(-c2cccs2)csc1NC(=O)C1CC1 21785488 WBBRDTZCIWOJQS-UHFFFAOYSA-N 307.396 3.612 0 40 DHAB CCN(CC)[C@@H](CNC(=O)c1ccco1)c1ccccc1Cl 22681717 BYIHECRWRVEIPD-HNNXBMFYSA-N 320.820 3.746 0 40 DHAB O=C(CCn1cccn1)Nc1ccc(Oc2ccccc2)cc1 24747512 AKFJZRNEGZWQAK-UHFFFAOYSA-N 307.353 3.704 0 40 DHAB Cc1cc(C)c(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)c(C)c1 26781065 XSNHSRSRUZLJLL-OKZBNKHCSA-N 305.462 3.614 0 40 DHAB Cc1ccc(C2=N/C(=C3\Sc4ccccc4N3C)C(=O)O2)cc1 27562077 MEISOAUGIHDRGK-ICFOKQHNSA-N 322.389 3.710 0 40 DHAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc[nH]c1=S 30606160 UJZKXWNVOSGWPC-UHFFFAOYSA-N 313.426 3.592 0 40 DHAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1C 32586238 ZOHRIKVZRYOGAT-UHFFFAOYSA-N 319.426 3.757 0 40 DHAB O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1Cc2ccccc2O1 32837425 VJTBWUFWSSKPFP-AWEZNQCLSA-N 323.270 3.527 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccn(-c2ccc(F)cc2)n1 32940481 FPHLYZUEMAZSGJ-CYBMUJFWSA-N 321.355 3.603 0 40 DHAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2N(C)C)cc1 32983661 AAPFGTFGSWCNDA-UHFFFAOYSA-N 318.804 3.596 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2F)cc1Cl 38773074 FPFFJDQXBKMHJC-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38833155 NIMNESAALLKLFC-SFHVURJKSA-N 308.425 3.846 0 40 DHAB Cc1cc(C)n(-c2ccc(CCNC(=O)CC(C)(C)C)cc2)n1 40106797 NUXXRGWWQGZFPF-UHFFFAOYSA-N 313.445 3.584 0 40 DHAB CCCCOc1ccc(CCNC(=O)[C@H]2CC=CCC2)cc1 40122373 YNOOMTCQJWCOPI-KRWDZBQOSA-N 301.430 3.881 0 40 DHAB COc1ccc(F)cc1[C@@H](O)c1cccc(Br)c1 40258386 UAIABLUXNLSSAL-AWEZNQCLSA-N 311.150 3.679 0 40 DHAB COc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1OC 45201303 AZQFKCKQJURWBU-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1 45957746 PNJQYTMWUYFOAU-LBPRGKRZSA-N 323.348 3.502 0 40 DHAB c1ccc2sc(Sc3nnc(N4CCCC4)s3)nc2c1 48894045 NKLULKXVGMBCJI-UHFFFAOYSA-N 320.468 3.899 0 40 DHAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1 58341154 ZXMYTRSBCJPMFG-BBRMVZONSA-N 321.848 3.836 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)Cc2cccc(Cl)c2)c1 67790334 XMBKMHUFNGOCDD-UHFFFAOYSA-N 317.772 3.616 0 40 DHAB CCN(Cc1csc(-c2ccccc2F)n1)C[C@@H]1CCOC1 69595336 LEMFZXKIVUNZNJ-ZDUSSCGKSA-N 320.433 3.808 0 40 DHAB CCN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214395 HAUNIPIPAFSPKJ-AWEZNQCLSA-N 305.422 3.976 0 40 DHAB COCc1ccc(C(=O)N(CC(C)(C)C)c2cccnc2)cc1 72288235 DDLWXTTVCWCWBR-UHFFFAOYSA-N 312.413 3.921 0 40 DHAB C[C@H](O)CNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 72713955 PPEWEBVNBFZBNP-VIFPVBQESA-N 300.185 3.724 0 40 DHAB CC(C)C[C@@H](C)OCCC(=O)NCC(C)(C)c1ccccc1 75110787 GJTJIKOJFQTYOT-MRXNPFEDSA-N 305.462 3.922 0 40 DHAB Cc1nc(C)c(C(=O)N2CC[C@@H](C)Sc3ccccc32)o1 84061285 ACPZGCXTVRBEJP-SNVBAGLBSA-N 302.399 3.823 0 40 DHAB Cc1ccc(-c2noc(COc3ccccc3C=O)n2)cc1C 89262858 QIWWTEZRAWNDDE-UHFFFAOYSA-N 308.337 3.745 0 40 DHAB Cc1c(-c2ccccc2)sc2nc(Cc3cnoc3)[nH]c(=O)c12 89567263 RULMWQIGQKWGNZ-UHFFFAOYSA-N 323.377 3.539 0 40 DHAB Cc1noc([C@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)n1 89718524 DDARGRTXHGLUDN-LBPRGKRZSA-N 308.385 3.710 0 40 DHAB CCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(C)nc2)o1 95398381 YSJRQJZWTZVQMZ-INIZCTEOSA-N 313.401 3.592 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cccc(CO)c2)c1 95988796 ITIVZQKDAXNEIL-UONOGXRCSA-N 312.413 3.549 0 40 DHAB CC1(C)Oc2ccc(NC(=O)N3C[C@H]4CC=CC[C@@H]4C3)cc2O1 96434317 CTTJTEMTPXKCIQ-CHWSQXEVSA-N 314.385 3.624 0 40 DHAB Cc1nc2cc(NC(=O)N3CCc4ccccc4C3)ccc2o1 96478187 BUFHCAHAIVUMLQ-UHFFFAOYSA-N 307.353 3.726 0 40 DHAB Brc1ccccc1-c1nc([C@@H]2CCCCCN2)no1 135964925 RKTXVAUUPDLZJG-LBPRGKRZSA-N 322.206 3.704 0 40 DHAB COc1ccc(CN(C)C(=O)c2ccc(OC)c(Cl)c2)cc1 224934656 NJZSWSLMFFHHHA-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2c(F)cccc2F)cc1 225562449 SERKGEDODBNVBT-UHFFFAOYSA-N 322.380 3.639 0 40 DHAB O=C(Cc1ccsc1)NCc1cccnc1-c1cccs1 225761573 CUUQUXPBFHZRNF-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB Cc1cc(C)nc(Nc2ccccc2C(=O)NCC(C)(C)C)n1 225916649 RHWMODQAIXWSIB-UHFFFAOYSA-N 312.417 3.613 0 40 DHAB Cc1cccc(NCc2ccc(-c3ccccc3C(=O)O)o2)n1 257339197 ZAQBCCYPRNLXMX-UHFFFAOYSA-N 308.337 3.960 0 40 DHAB CC1(C)CN(C(=O)CCc2cccc(O)c2)C[C@H]1c1ccccc1 1548673942 ZSCXHUZQEBMCCA-IBGZPJMESA-N 323.436 3.977 0 40 DHAB CC(C)c1nccn1CC1CN(c2ccc(C(F)(F)F)nc2)C1 2086946017 VDUHBTSTEPYFNX-UHFFFAOYSA-N 324.350 3.557 0 40 DHAB S=C(Nc1ccc(Br)cc1)Nc1cccnc1 38945 WPFYBCDNWOLSNW-UHFFFAOYSA-N 308.204 3.653 0 40 DHAB Clc1cc2c(c(Cn3cnc4ccccc43)c1)OCOC2 108780 WYPDTCGQDBNCKA-UHFFFAOYSA-N 300.745 3.605 0 40 DHAB Cc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1 158922 OCGWVNBBWPTEOM-UHFFFAOYSA-N 301.353 3.843 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)cc1 307674 UBPGAGHLBNQINO-QGZVFWFLSA-N 324.380 3.597 0 40 DHAB Cc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 385275 DKRROGCTOSSNKN-UHFFFAOYSA-N 306.394 3.752 0 40 DHAB O=C(c1c2c(nc3ccccc13)CCC2)N1CCc2ccccc21 418410 VQDVLHKCIMDNHA-UHFFFAOYSA-N 314.388 3.926 0 40 DHAB CCCc1noc(-c2ccc(OC(=O)c3ccccc3)cc2)n1 430464 QZJPXEJFWOYVAX-UHFFFAOYSA-N 308.337 3.908 0 40 DHAB O=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 975267 CAHCXHIKGCIUCO-GDNBJRDFSA-N 311.362 3.590 0 40 DHAB CC[C@@H](C)C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364325 WFTCEDRIOGXYRD-NEPJUHHUSA-N 319.430 3.550 0 40 DHAB Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc(Cl)cc1 3446140 GXZIWWPZIDOEIR-UHFFFAOYSA-N 324.163 3.615 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3o2)c1 3555977 QFCRBJATZDHSRD-UHFFFAOYSA-N 309.321 3.780 0 40 DHAB C[C@]12C[C@H](NC(=S)N1c1ccccc1)c1cc(F)ccc1O2 4372189 MDMCCJKKIVUZSU-YOEHRIQHSA-N 314.385 3.760 0 40 DHAB O=C(O)[C@]1(Br)CC1(c1ccccc1)c1ccccc1 5031272 GFNVDJMPIQWZRP-MRXNPFEDSA-N 317.182 3.595 0 40 DHAB CSCc1nnc2c3ccccc3c(-c3ccccc3)nn12 5245169 DLSUFBXNLYVCFY-UHFFFAOYSA-N 306.394 3.808 0 40 DHAB Cc1cc2oc(=O)cc(COC(=O)C3CCC3)c2cc1Cl 5507420 QIBHNOJLNFVNKD-UHFFFAOYSA-N 306.745 3.598 0 40 DHAB CCc1sc(C(=O)Nc2cc(OC)cc(OC)c2)cc1C 6385772 JJGCLOIZFSQHJL-UHFFFAOYSA-N 305.399 3.888 0 40 DHAB COc1ccc2ccccc2c1[C@@H](Cc1ccccc1)NCCO 6484997 ZOFVJRDYJOVIKH-LJQANCHMSA-N 321.420 3.714 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1cccc(Br)c1 6526309 YXUIQJWZJIASKQ-UHFFFAOYSA-N 323.215 3.647 0 40 DHAB CCc1nonc1NC(=O)c1oc2ccc(Cl)cc2c1C 6743418 XTPVFTAVLVXABF-UHFFFAOYSA-N 305.721 3.592 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1 8071685 BSOITFYAEZPOQY-UHFFFAOYSA-N 302.305 3.646 0 40 DHAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 8086113 GPCVUVVWFKDNSQ-JTQLQIEISA-N 303.745 3.560 0 40 DHAB Oc1ccccc1-c1nc(NC[C@H]2CCCO2)c2ccccc2n1 13127599 PHPIKMLQXFBRGD-CYBMUJFWSA-N 321.380 3.593 0 40 DHAB CCN(CC)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C 14238210 QRMHYZLGOLMPIM-AWEZNQCLSA-N 313.869 3.853 0 40 DHAB C[C@H](NC(=O)CN1c2ccccc2CC[C@@H]1C)c1cccs1 15304137 FXLOZPSAWBTUOI-KBPBESRZSA-N 314.454 3.767 0 40 DHAB Cc1cnc(N2C(=O)CS[C@@H]2c2ccccc2Cl)s1 17198002 UUHYUWZUJJROFY-GFCCVEGCSA-N 310.831 3.884 0 40 DHAB CCN(C)[C@H]1CN(C(=O)c2ccccc2)C2(CCCCC2)C1 19704915 IRAJNVRXTZLCIM-QGZVFWFLSA-N 300.446 3.556 0 40 DHAB CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736523 DUQLBTYXWKVDRS-LLVKDONJSA-N 318.804 3.891 0 40 DHAB Fc1ccccc1CNc1ccccc1OC[C@H]1CCCO1 19737594 LOQDGIAREBUWQX-OAHLLOKOSA-N 301.361 3.996 0 40 DHAB C[C@@H]1CNc2ccccc2N(Cc2ccc(Cl)cc2)C1=O 21793416 MPBIKFGCPVQWFM-GFCCVEGCSA-N 300.789 3.935 0 40 DHAB CC[C@@H](C(=O)NCc1ccccc1CN(C)C)c1ccccc1 22695395 ZFUKOQRJEUQXHV-LJQANCHMSA-N 310.441 3.558 0 40 DHAB CN(Cc1ccc2c(c1)OCO2)Cc1cccc2cccnc12 23074942 LDGGKCOGPVPPRU-UHFFFAOYSA-N 306.365 3.596 0 40 DHAB COCc1cccc(NC(=O)c2ccc(Br)cc2)c1 25334791 PWGYHDPDUOBSMP-UHFFFAOYSA-N 320.186 3.848 0 40 DHAB Cc1ccc(F)cc1NCC(=O)N[C@H](C)c1ccc(F)cc1 25601158 AVCQJUORWIQVJU-GFCCVEGCSA-N 304.340 3.563 0 40 DHAB CCN(CC)CCNc1nc2c(OC)ccc(Cl)c2s1 26424129 LQXAWWOHJXBHAU-UHFFFAOYSA-N 313.854 3.712 0 40 DHAB O=C1S/C(=C/c2cccs2)C(=O)N1c1cccc(O)c1 26895157 CPTJUWSHVPCALW-XYOKQWHBSA-N 303.364 3.695 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1 28225069 RBISSUZCUKWTRF-LBPRGKRZSA-N 304.415 3.783 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 32109880 OJFXQKVYFHRGRT-TZMCWYRMSA-N 305.418 3.648 0 40 DHAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)on2)cc1 32833117 VOADLVIGOZMBIF-UHFFFAOYSA-N 304.349 3.853 0 40 DHAB O=C(NCc1ccc(F)cc1)c1sccc1-n1cccc1 32895691 QUKGMPZWNYAKJD-UHFFFAOYSA-N 300.358 3.608 0 40 DHAB C[C@@H]1CC(C)(C)N(C(=O)CNC2CCCC2)c2ccccc21 35311379 CHCFMQIVMMNEOY-CQSZACIVSA-N 300.446 3.838 0 40 DHAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 36620986 ZJLYGYBJNAHLEH-KRWDZBQOSA-N 301.411 3.521 0 40 DHAB Cc1nccn1Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1 38832922 PMDIJWQGZIZPBT-UHFFFAOYSA-N 319.408 3.512 0 40 DHAB CC[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1OC 40090473 GUDQAZIUAJYLIJ-RISCZKNCSA-N 316.228 3.846 0 40 DHAB Cc1cc(C)c2oc(-c3ccc(Cn4cnnc4)cc3)nc2c1 45920831 REJIGPCUQIBZMX-UHFFFAOYSA-N 304.353 3.751 0 40 DHAB CC[C@H]1CCCC[C@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 48278681 LALXFUJYHGDEKH-KBXCAEBGSA-N 319.470 3.862 0 40 DHAB Cc1ncc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 48386435 XTCURYJAJIOSGI-UHFFFAOYSA-N 313.426 3.822 0 40 DHAB Cc1nc(Cl)cc(N(C)CCOc2ccc(Cl)cc2)n1 60372159 ITIPGENQJQXBPX-UHFFFAOYSA-N 312.200 3.607 0 40 DHAB CCOc1ccc2c(c1)CN(Cc1ccc(Cl)nc1)CC2 64013581 GWORJJCJFXQJJP-UHFFFAOYSA-N 302.805 3.692 0 40 DHAB CCCN(CC1CC1)C(=O)Nc1ccc(NC(=O)OC)cc1 65566550 NOJCAFQBQZBPMO-UHFFFAOYSA-N 305.378 3.519 0 40 DHAB CCOc1ccccc1CNC(=O)Cc1cccc(Cl)c1 67818451 UIFSRIGQGIUPMF-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2[nH]1 71804532 SAHANNPWZNNNML-UHFFFAOYSA-N 320.348 3.514 0 40 DHAB CN(C)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 72027663 BUJJJMOKRPQNLT-UHFFFAOYSA-N 323.440 3.596 0 40 DHAB CC[C@H](C)C(=O)NCCCC1(C2OCCO2)CCCCCC1 72301406 SEUNPFHPRHLBBC-HNNXBMFYSA-N 311.466 3.642 0 40 DHAB COc1ccc(-c2ccc(C[C@@H]3CCCN(C(C)=O)C3)cn2)cc1 72360763 OUUSEPMKEVSEFH-KRWDZBQOSA-N 324.424 3.558 0 40 DHAB CN1CCC(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 74921076 NCUITKDVZYFWQR-UHFFFAOYSA-N 301.217 3.664 0 40 DHAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3c(=O)[nH]2)c1 75490428 WBHORQDQVYZOQT-UHFFFAOYSA-N 308.381 3.934 0 40 DHAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCCCc1nccs1 76988481 BLJLYARSZVUWES-HOTGVXAUSA-N 314.454 3.694 0 40 DHAB CSc1ccc(CN[C@H](Cn2cncn2)c2ccccc2)cc1 77404880 FGLIFOVFUUGLFW-GOSISDBHSA-N 324.453 3.531 0 40 DHAB CSc1c(Cl)cccc1NC(=O)CC(C)(C)C(=O)O 78938392 GRSNULIYAMOZSL-UHFFFAOYSA-N 301.795 3.501 0 40 DHAB COc1ccccc1C(=O)Nc1ccc2nc(C3CC3)[nH]c2c1 79498068 RNTJSWFZUQIPFW-UHFFFAOYSA-N 307.353 3.701 0 40 DHAB O=C(Nc1cc(-c2ccccc2)on1)N1C[C@@H]2CCCC[C@H]2C1 85611012 LAHHYPDAIBETTG-GJZGRUSLSA-N 311.385 3.996 0 40 DHAB CC(C)(C(=O)NC[C@H](O)c1ccsc1)c1cccc(Cl)c1 95417452 TZXGFCGJVKPIEH-AWEZNQCLSA-N 323.845 3.529 0 40 DHAB Cc1ccc(NC(=O)c2ccc(C)nc2Br)cc1 95439138 JGJVXPZNHVXISV-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 95963180 FKEZQGVFLMDWAE-MSOLQXFVSA-N 311.425 3.563 0 40 DHAB C[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccc2ccccc2n1 95967213 FRBYESYGQUPTHL-RHSMWYFYSA-N 304.393 3.889 0 40 DHAB COc1cc(C(C)=O)ccc1OC[C@H](O)c1ccc(Cl)cc1 95974874 CRZFOQASGDSQTA-HNNXBMFYSA-N 320.772 3.664 0 40 DHAB Cc1ccccc1CN1CCC[C@]12CCCN(C(=O)C(C)C)C2 96071311 CYJRPTIFIAETAY-FQEVSTJZSA-N 314.473 3.608 0 40 DHAB C[C@H](c1nnc(-c2cccs2)o1)n1ccc(C(F)(F)F)n1 96448238 IPNLTKGHFBAUBU-SSDOTTSWSA-N 314.292 3.623 0 40 DHAB COc1cccc([S@@](=O)Cc2ncc(Cl)cc2Cl)c1 97094856 LUGGSVINRBHJJQ-LJQANCHMSA-N 316.209 3.705 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)o1 97234622 TXRXNWVZIAYZPT-MLGOLLRUSA-N 316.405 3.617 0 40 DHAB Brc1ccc(-c2nc([C@H]3CCCCCN3)no2)cc1 135966936 ZQDHULZPVNNEFS-GFCCVEGCSA-N 322.206 3.704 0 40 DHAB CC(C)(C)SCCCC(=O)N1CCc2ccc(O)cc2C1 195545315 JJEVJQBSJALHCT-UHFFFAOYSA-N 307.459 3.589 0 40 DHAB FC(F)Cn1cc(N[C@H](c2ccccc2)c2ccncc2)cn1 195553930 HFPVTWOCDAQMBU-QGZVFWFLSA-N 314.339 3.745 0 40 DHAB O=C(CCOCC(F)F)N1C[C@@H]2CCCC[C@]21c1ccccc1 195579848 IOJBGTLEQDPSNI-YJBOKZPZSA-N 323.383 3.586 0 40 DHAB Nc1nnc(-c2ccc(OCc3cccc(F)c3)c(Cl)c2)o1 216816207 GUFJGUULYAUOHA-UHFFFAOYSA-N 319.723 3.690 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCOc2ccccc2Cl)cc1 223449667 BVOQUWFPWXFOPR-ZHACJKMWSA-N 315.800 3.857 0 40 DHAB CCCNC(=S)Nc1ncc(Cl)c(C)c1Br 223870441 GGELTNFURPEZOS-UHFFFAOYSA-N 322.659 3.502 0 40 DHAB CCc1ccc(OCCNC(=O)Cc2ccc(C)cc2C)cc1 225164066 UOAGADRZTVKLCH-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(C)cc1 225580013 FQFICCXELUFNRS-QGZVFWFLSA-N 319.518 3.936 0 40 DHAB CC[C@H](CNC(=S)Nc1ncccc1C)Cc1ccccc1 225633728 PXYTWDQVXHBZQF-HNNXBMFYSA-N 313.470 3.945 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O 409010704 DCQDOXIIRRCCDP-ZECSTPGPSA-N 305.399 3.838 0 40 DHAB COc1ccccc1C(=O)NCc1ccc(-c2ccsc2)o1 575610511 PAWMHKDCRKFULR-UHFFFAOYSA-N 313.378 3.947 0 40 DHAB Cc1ccc2[nH]c(C(=O)N[C@H](C3CC3)C(F)(F)F)cc2c1C 585083342 SDXIXLHCHVBWAF-CQSZACIVSA-N 310.319 3.855 0 40 DHAB CCc1cnc(OC2CCN([C@@H](C)c3ccccc3)CC2)nc1 1888860271 KGVGWFLNJIBHBY-HNNXBMFYSA-N 311.429 3.643 0 40 DHAB CCc1ccc([C@@H]2C[C@H](c3ccccc3F)n3nnnc3N2)cc1 222824 NXGNDKJCZITQPP-DLBZAZTESA-N 323.375 3.521 0 40 DHAB Cc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3[C@@H]1C[C@@H]2C 377038 FWIJUQKNNLLVQY-NHYWBVRUSA-N 307.349 3.902 0 40 DHAB biogenic Cc1cc(-c2ccccc2)oc(=O)c1NC(=O)c1ccccc1 1398202 XJKPRMAJXXYFSL-UHFFFAOYSA-N 305.333 3.868 0 40 DHAB CN1[C@H]2CC[C@@H]1CC(NC(=O)/C=C/c1cccc3ccccc13)C2 1459702 ANEGKXXUNGIDBD-VJUZUDGASA-N 320.436 3.594 0 40 DHAB Cc1ccc(S(=O)(=O)Oc2cccc3cccnc23)cc1C 2059026 ARDMLBKFHBPRDO-UHFFFAOYSA-N 313.378 3.619 0 40 DHAB O=C(CSc1nc2ccccc2o1)NCC1CCCCC1 3234885 QKQNDYYWILYSOC-UHFFFAOYSA-N 304.415 3.616 0 40 DHAB Brc1ccc(COc2ncnc3ccccc23)cc1 3251279 DADJIQURPZZXBT-UHFFFAOYSA-N 315.170 3.971 0 40 DHAB CCCCNC(=O)NCc1c(Cl)cccc1-n1cccc1 4054742 BIOYVYICGVYLMM-UHFFFAOYSA-N 305.809 3.730 0 40 DHAB O=C(Nc1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 5265486 JFJNLXPNOMWXQY-UHFFFAOYSA-N 320.396 3.522 0 40 DHAB CC(C)n1cnnc1S[C@@H](C)C(=O)c1c[nH]c2ccccc12 5416947 MWMCTXIJNQRNPZ-NSHDSACASA-N 314.414 3.704 0 40 DHAB CC(C)(C)C(=O)CSc1nnc(NC2CCCCC2)s1 6313370 ZPHWNILATAKCQL-UHFFFAOYSA-N 313.492 3.990 0 40 DHAB O=[S@](CC(O)(c1ccccc1)c1ccccc1)c1ccccc1 6574836 WEBGBIHIICEKAL-QHCPKHFHSA-N 322.429 3.730 0 40 DHAB Fc1ccc(F)c(C2=NN=C(NC3CCCCC3)SC2)c1 6671548 AEMQZUDLYSBEEU-UHFFFAOYSA-N 309.385 3.694 0 40 DHAB COc1ccc(OC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 6815165 MGAVZANIMJIASI-CQSZACIVSA-N 300.354 3.685 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(CO)c1 6822643 CPYUJIDCWKQADG-UHFFFAOYSA-N 320.392 3.525 0 40 DHAB O=C1CCCN1c1ccc(OCc2cc(-c3ccco3)on2)cc1 7063506 SKPKKGFYOKFTLJ-UHFFFAOYSA-N 324.336 3.640 0 40 DHAB C[C@@H]1CC2=C(C(=O)O1)[C@H](c1ccccc1)Nc1ccccc1N2 8684987 YBSLINJTEXAWIR-XIKOKIGWSA-N 306.365 3.855 0 40 DHAB CCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccccc1 8715198 DSPHNUOAFZVIRZ-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N1CCCC1 9314729 JVLCCCMUIOGBCI-CQSZACIVSA-N 306.409 3.681 0 40 DHAB CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc12)c1ccccc1 9382952 ZMWXELGBPHMBQW-UHFFFAOYSA-N 320.392 3.723 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1ccccc1 9895880 WIVKJCFYFPABSG-GOSISDBHSA-N 319.408 3.859 0 40 DHAB COc1ccc(C(=O)Cn2c(SC)nc3ccccc32)cc1 12560014 JYVWXGLDNALUMW-UHFFFAOYSA-N 312.394 3.650 0 40 DHAB O=C(OCc1ccc(F)cc1Cl)c1n[nH]c2ccccc12 12583039 UAZXNUKFWRWEQT-UHFFFAOYSA-N 304.708 3.712 0 40 DHAB O=C(NCCc1ccccn1)c1ccc(-c2ccccc2)cc1 12584463 LRSDWRYHZVIHCP-UHFFFAOYSA-N 302.377 3.721 0 40 DHAB c1ccc(-n2ncc3c(NCC4CCCCC4)ncnc32)cc1 12795951 BJDSRUCLIFTHDU-UHFFFAOYSA-N 307.401 3.808 0 40 DHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NC1CCC(C)CC1 13001591 GWNSHIKLMZJOOE-UHFFFAOYSA-N 311.857 3.809 0 40 DHAB c1cncc(-c2nc(N3CCCC3)ncc2-c2ccsc2)c1 13266241 BXAXAUGSWRJNHX-UHFFFAOYSA-N 308.410 3.867 0 40 DHAB O=C(CCSCc1ccccc1)Nc1ccc(C(=O)O)cc1 13688197 YTQGKXVHUKOCDF-UHFFFAOYSA-N 315.394 3.647 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 13938130 NKLFRUUFDMKXGZ-GFCCVEGCSA-N 309.818 3.688 0 40 DHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)cn2)cc1 13947662 PUHZSBBOTOJRLF-ZDUSSCGKSA-N 304.415 3.704 0 40 DHAB O=C(C1CCCC1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19405444 ICUZKFSPNGNOFB-KRWDZBQOSA-N 324.428 3.716 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(N)cc2Cl)c1 20006038 KNXWCJPAJCBDNB-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB C[C@H](NC(=O)CN1CCCC[C@H]1C)c1ccc2c(c1)CCCC2 21578992 GJZFCXFLSIUPBM-CVEARBPZSA-N 314.473 3.617 0 40 DHAB CN(C)CCNCc1ccccc1OCc1ccc(Cl)cc1 22075012 MQMIIGPINOMWAH-UHFFFAOYSA-N 318.848 3.570 0 40 DHAB CCN(Cc1cccc(F)c1)C(=O)Cc1c[nH]c2ccccc12 23272885 NYZGHMZWCALYBW-UHFFFAOYSA-N 310.372 3.898 0 40 DHAB Cc1ccc(CNC(=O)N[C@H](C)CCc2ccccc2)cc1F 24986912 VVGNJSVOCREYAZ-OAHLLOKOSA-N 314.404 3.955 0 40 DHAB Cc1cccc(OC[C@H](O)CNC(C)(C)CC(C)(C)C)c1C 26780529 YXQRUGPRTLAWME-MRXNPFEDSA-N 307.478 3.848 0 40 DHAB Cc1ccc(OC[C@H](O)CN2CCCC[C@@H]2C)c(C(C)(C)C)c1 26781125 OFEQUOJOHSEPLP-DLBZAZTESA-N 319.489 3.907 0 40 DHAB COc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28303957 JZLGKXZYQXJQMQ-HNNXBMFYSA-N 320.392 3.977 0 40 DHAB O=C(Nc1ccnn1Cc1ccco1)c1cccc2ccccc12 32593753 FYRNNAIZJHPHIM-UHFFFAOYSA-N 317.348 3.930 0 40 DHAB C[C@]1(C(=O)N2CCCc3cc(F)c(F)cc32)CC1(Cl)Cl 32816814 UGIFWQFINSKWQF-CYBMUJFWSA-N 320.166 3.828 0 40 DHAB CN(CCCNC(=O)C(C)(C)c1ccccc1)c1ccccc1 32903677 WUCYQVANSOGTQV-UHFFFAOYSA-N 310.441 3.607 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)N2CC[C@H]3CCCC[C@@H]3C2)cc1 36429275 MSNKOFCRZPUSKV-GVDBMIGSSA-N 300.446 3.834 0 40 DHAB O=C1NC(=O)c2ccccc2/C1=C\c1ccc(Cl)cc1Cl 40009550 UYHGDDPGPYKWKD-NTUHNPAUSA-N 318.159 3.804 0 40 DHAB COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(N)c1 40162479 DUYQHVYTOVUKKU-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl 40526884 QIRBRTNRYPRADT-QWRGUYRKSA-N 323.824 3.808 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cn1 43505433 WWLAYOOCWOTNPK-UHFFFAOYSA-N 324.302 3.561 0 40 DHAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCc2ccccc21 45311049 ZOAONNHBLFKMAG-IBGZPJMESA-N 304.393 3.823 0 40 DHAB O=C(CN1CCc2ccccc21)Nc1cccc2c1CCCC2 48290667 BGWPAFMMIHIADQ-UHFFFAOYSA-N 306.409 3.567 0 40 DHAB Cc1c(C(=O)Nc2cccc3c2OCCO3)oc2ccccc12 55950689 JORGECUSEKARGO-UHFFFAOYSA-N 309.321 3.765 0 40 DHAB O=C(CCc1ccccc1F)NCCCOC1CCCCC1 61547245 XKLFUZOYMBMIAI-UHFFFAOYSA-N 307.409 3.614 0 40 DHAB CCOc1ccc2ccccc2c1CNC[C@H](C)Cn1ccnc1 62254692 AJDANUZZLQXYLE-INIZCTEOSA-N 323.440 3.861 0 40 DHAB COCCc1noc(CSc2c(Cl)cccc2Cl)n1 69705558 WKFNFENYKGLXRX-UHFFFAOYSA-N 319.213 3.858 0 40 DHAB Cc1nn(C)cc1-c1csc(C[C@@H](C)n2cc(Cl)cn2)n1 70007692 XDJJKJNVCNYLLA-SECBINFHSA-N 321.837 3.506 0 40 DHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@H]1c1ccc[nH]1 71818776 UFMYQTKXHSGJJN-ZDUSSCGKSA-N 323.318 3.714 0 40 DHAB CCn1ccnc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 71851883 UXRZISZVRWYNHN-UHFFFAOYSA-N 319.821 3.634 0 40 DHAB Cc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@H](C)O 71921849 OOTNGGYFWROZCW-AWEZNQCLSA-N 316.376 3.549 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1Cl 84183009 SHFNSQHTHHWPEC-CJNGLKHVSA-N 321.852 3.596 0 40 DHAB C[C@@H](c1cccnc1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 84661100 KKOOIDKFASFXOP-AAEUAGOBSA-N 324.350 3.764 0 40 DHAB CCOCc1ccccc1NC(=O)NC[C@]1(C)CCCS1 84802795 TUQSZHLRMHIDOB-INIZCTEOSA-N 308.447 3.630 0 40 DHAB C[C@H](Nc1ncnc2nc(N)ccc12)c1ccc2ccccc2c1 90066548 ARLCFMRLZMFBIB-LBPRGKRZSA-N 315.380 3.933 0 40 DHAB OCc1cccc(OCc2c(F)cccc2Br)c1 92896811 HVQIGFVEPFUZEL-UHFFFAOYSA-N 311.150 3.660 0 40 DHAB CC[C@@H](C)Oc1ccc(NC(=O)c2ccnc(C3CC3)n2)cc1 95958396 SOUIYDYYWLXCBN-GFCCVEGCSA-N 311.385 3.784 0 40 DHAB Cc1occc1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 96417240 XQMRUAFJWMWEBD-ZDUSSCGKSA-N 318.348 3.570 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2csc(C)n2)o1 96433138 BCOMUKSEIAOLLM-NHYWBVRUSA-N 318.442 3.895 0 40 DHAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H]1CCCSC1 97371194 IMQDRVVRPTXCGC-SKDRFNHKSA-N 321.412 3.608 0 40 DHAB C[C@H]1[C@H]2C[C@@H]([C@@H]([C@@H]3C(=O)[C@H]4C[C@H]3C(C)(C)[C@H]4C)C2=O)C1(C)C 100314883 CTEHDPNSLFXLOZ-QZUMUTTRSA-N 302.458 3.981 0 40 DHAB C[C@H]1C[C@H](C)CN(C[C@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)C1 100831825 BGMMDRMBSMZBJT-BNXFAOBVSA-N 323.521 3.557 0 40 DHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(Cl)c1 104821652 GOYQTZINRVVFDX-RWMBFGLXSA-N 321.804 3.648 0 40 DHAB Cc1noc(CCCN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 107148411 WHNBNJYPCKYWTM-WBMJQRKESA-N 315.417 3.692 0 40 DHAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 190275026 USVBDIFNBRQQOA-LLVKDONJSA-N 322.380 3.750 0 40 DHAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1Cl 224848115 BOPMNVTVLZDCHM-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB COc1ccc(C)cc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 225117533 RDKUXRDPKJPVKF-INIZCTEOSA-N 320.772 3.732 0 40 DHAB S=C(Nc1nccc(-c2cccs2)n1)NC1CCCCC1 225184489 LJSYXAXAVNLRNZ-UHFFFAOYSA-N 318.471 3.824 0 40 DHAB COc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1F 225392580 LIKIZDQTCFYCED-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB NC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 225448174 STZVSXLUWYVADS-UHFFFAOYSA-N 319.364 3.904 0 40 DHAB O=C(NCc1cccnc1-c1cccnc1)Nc1ccc(F)cc1 225643356 WVMLDFXISKOPQC-UHFFFAOYSA-N 322.343 3.604 0 40 DHAB Cc1nn(-c2cc(N)cc(C(F)(F)F)c2)cc1Br 228921061 HRTVMSHNNZRWEV-UHFFFAOYSA-N 320.112 3.544 0 40 DHAB c1ccc2c(C[C@@H]3CCN(Cc4cscn4)C3)ccnc2c1 257230642 GDFFGVJSXXLOLE-AWEZNQCLSA-N 309.438 3.756 0 40 DHAB Cc1c(C(=O)N2CCC(c3cnccn3)CC2)oc2ccccc12 257259759 KZVURGKOWJFJNF-UHFFFAOYSA-N 321.380 3.551 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)c1c[nH]c2ccccc2c1=O 339200493 IMCZVAVDXNKANH-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB CC(C)COCc1nn(C2CCCC2)cc1Br 408717103 VUADIZNLWMWOGC-UHFFFAOYSA-N 301.228 3.933 0 40 DHAB Cc1ccc(CCNC(=O)NCCc2cccc3[nH]ccc23)cc1 507213724 WPRPOLDWXUWVAE-UHFFFAOYSA-N 321.424 3.561 0 40 DHAB CC(C)(C)OC(=O)N1CCN(c2ccc3sccc3c2)CC1 1857793800 VSSCNZLTUQZVCX-UHFFFAOYSA-N 318.442 3.958 0 40 DHAB CCC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 536029 JKKKDGAZMUPCMA-MRXNPFEDSA-N 311.360 3.973 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1C 1960544 GFKMHDITZDZYJY-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CCOP(=O)(OCC)[C@H](O)c1ccc(Br)cc1 2277392 OFZFDAPSYVGZIG-NSHDSACASA-N 323.123 3.706 0 40 DHAB Cc1ccc(C(=O)CSc2nc(C)c(C)c(C)n2)c(C)c1 2631860 NCBBJBKGRFGVDB-UHFFFAOYSA-N 300.427 3.994 0 40 DHAB Cc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 2966507 JYATVUVHSOPIIY-OAQYLSRUSA-N 321.444 3.645 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)CC2CCCC2)cc1 3225081 DSEKDOKECMHUCU-UHFFFAOYSA-N 303.402 3.872 0 40 DHAB C[C@@H]1CCc2sc(C(=O)Nc3ccc4c(c3)OCO4)cc2C1 3364373 NIBQMPNUFXIWMN-SNVBAGLBSA-N 315.394 3.854 0 40 DHAB C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 3398586 NFNVXNDJQZMHJH-LLVKDONJSA-N 303.745 3.524 0 40 DHAB C[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)N1CCCC1 3454013 PBXATMRCJGMAKB-OAHLLOKOSA-N 310.397 3.902 0 40 DHAB CC1=CCC(=O)Nc2c1cnn2-c1cc(Cl)ccc1Cl 3852416 HPEGKOZCUNIQBA-UHFFFAOYSA-N 308.168 3.925 0 40 DHAB biogenic CCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1F 4660784 OKPXYPBURDHEJN-UHFFFAOYSA-N 323.389 3.642 0 40 DHAB CCN(Cc1ccncc1)Cc1ccc(Br)cc1 4676932 IJMSRENJAYRLKG-UHFFFAOYSA-N 305.219 3.866 0 40 DHAB COc1ccc2ccccc2c1CN(CCO)Cc1ccccc1 4695072 DBECUXZDBITYMN-UHFFFAOYSA-N 321.420 3.843 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)c(C)c1 5169603 FPPSPAXWIVCHPI-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB Cc1cc(Cl)ccc1-n1c(S)nnc1-c1ccncc1 5687709 YFHIRGRRWNBCGB-UHFFFAOYSA-N 302.790 3.580 0 40 DHAB CS(=O)(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 6362137 FAKDBOTZVUTCHZ-UHFFFAOYSA-N 305.443 3.598 0 40 DHAB Cc1ccc(Cl)c(OCC(=O)Nc2nc3ccccc3[nH]2)c1 6506444 DQKUBBFBKCSGEF-UHFFFAOYSA-N 315.760 3.542 0 40 DHAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCCCC1 7377711 GEIPXENWOGLMGB-LLVKDONJSA-N 300.324 3.518 0 40 DHAB O=C(Nc1nccs1)c1ccccc1COc1ccccc1 7655035 RWFWGJUILYERJJ-UHFFFAOYSA-N 310.378 3.974 0 40 DHAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)c1 7929079 FPVHKEAOWHVVBW-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1 7990458 RJGIRIDIGMRMQP-UHFFFAOYSA-N 300.749 3.538 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12 8764683 RBSMHPYJLIDGGJ-UHFFFAOYSA-N 303.365 3.622 0 40 DHAB biogenic O=C1C[C@H](c2cccc(F)c2)c2c(-c3ccccc3)n[nH]c2N1 9108703 ZQRBESWKWMHVAH-CQSZACIVSA-N 307.328 3.690 0 40 DHAB CCC[C@@H](C)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 9113428 NEAVWFNAEGOYKZ-GFCCVEGCSA-N 318.442 3.666 0 40 DHAB Cc1cc(CSc2nc(NC3CC3)c3ccccc3n2)no1 9114262 IRABDMPSDBNKBG-UHFFFAOYSA-N 312.398 3.793 0 40 DHAB Cc1nc(-c2c[nH]c(C(=O)N(C)Cc3cccs3)c2)cs1 9548262 CRACRZMEXHNQSN-UHFFFAOYSA-N 317.439 3.780 0 40 DHAB CCOc1cccc(NC(=O)COc2ccccc2Cl)c1 9816668 KLWSDAJNGNYJIA-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(F)cc2)ns1 12111632 MTAOQFKFNBPORT-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccnc2ccccc12 12143990 JFJSCFXWVWMKMH-QRWLVFNGSA-N 316.408 3.595 0 40 DHAB O[C@@H](Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1 12556585 FIAVCICJGQPUTM-KRWDZBQOSA-N 321.405 3.893 0 40 DHAB COc1ccc([C@@H](C)O)cc1NC(=O)c1ccc(Cl)cc1 12854923 QGOSMAVNSLBIRQ-SNVBAGLBSA-N 305.761 3.654 0 40 DHAB O=C(CCSc1ccccc1)Nc1ccc(C(=O)O)cc1 13166577 MCYJXDRIVHZLQJ-UHFFFAOYSA-N 301.367 3.506 0 40 DHAB COc1ccc(NC(=S)NC2CCCCCC2)cc1OC 13818428 IQQWACSOXSJDFU-UHFFFAOYSA-N 308.447 3.713 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1 14219317 MUZCGCRPJTWFHK-OAHLLOKOSA-N 303.427 3.651 0 40 DHAB O=C(NCCC1=CCCCC1)c1cnn(Cc2ccccc2)c1 17335227 QKQKGLKZHCXSFV-UHFFFAOYSA-N 309.413 3.552 0 40 DHAB COc1ccc([C@@H](C)NC(=O)CCc2ccccc2)cc1F 19312097 WEHKROXOMDBZLL-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB O=C(Nc1ncccn1)c1csc(-c2ccc(Cl)cc2)n1 21211830 UYPANZAURZZDEG-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB O=C(NCCc1ccccc1)c1cccnc1NC1CCCCC1 22072255 CCIFHQXQNPZCOU-UHFFFAOYSA-N 323.440 3.799 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)c1cc2c(F)cccc2s1 22378893 WEKRCXDCDDTZFM-KNTRCKAVSA-N 314.385 3.840 0 40 DHAB Cc1ccsc1C(=O)Nc1cccc(NC(=O)NC(C)C)c1 24509972 NFYGKJYKNJAONF-UHFFFAOYSA-N 317.414 3.839 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)nc1 27645058 PHIQCXPGWVMSPA-UHFFFAOYSA-N 308.790 3.707 0 40 DHAB O=C(NCc1ccccc1COc1ccccc1)c1ccccn1 30186977 DKJYZSLVTPVOLN-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccccc1 30750830 RKLMOVQQPPAMDZ-KBXCAEBGSA-N 313.397 3.730 0 40 DHAB COc1cccc(CO[C@@H](C)C(=O)N[C@H](C)c2cccs2)c1 32924147 LBULHVGELWKPBA-OLZOCXBDSA-N 319.426 3.539 0 40 DHAB Cc1ccc(N(C)C(=O)Nc2ccc3nsnc3c2)cc1C 33490545 ZXEFRZXSIQPLES-UHFFFAOYSA-N 312.398 3.976 0 40 DHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 40034746 NYBZHMDIXBMSDM-HKUYNNGSSA-N 323.440 3.726 0 40 DHAB Cc1ccc(C)c(NC(=O)CCCc2nc(C(C)C)no2)c1 40089859 VVNHENFURCUMRI-UHFFFAOYSA-N 301.390 3.771 0 40 DHAB CC(C)(C)n1nc(C(=O)Nc2nc3ccccc3[nH]2)cc1C1CC1 40134912 BVAOLVNDMULDOY-UHFFFAOYSA-N 323.400 3.644 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1 40294718 JQRXVNZSQJKULT-IUCAKERBSA-N 301.217 3.694 0 40 DHAB COC(=O)c1ccc(CSc2nnc(C3CCCCC3)o2)o1 40456936 CXQQUOHLCYSMCX-UHFFFAOYSA-N 322.386 3.789 0 40 DHAB Cc1ccc(F)c(NC(=O)CCCc2nc(C(C)C)no2)c1 40515704 RMAMQXCIKFVPKA-UHFFFAOYSA-N 305.353 3.602 0 40 DHAB CC(=S)Nc1cc(Br)ccc1Br 44154587 ITGDNRAJLMOMRY-UHFFFAOYSA-N 309.026 3.971 0 40 DHAB CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 44849820 ZSEVAWHSGJSZIS-UHFFFAOYSA-N 315.438 3.998 0 40 DHAB O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCCCCC1 47535220 ZJDRBKFVITXVAO-UHFFFAOYSA-N 301.415 3.551 0 40 DHAB O=C(CN1CCC[C@@H]1c1ccsc1)Nc1ccc(F)c(F)c1 48367704 XIUPXAXHKVSQHO-OAHLLOKOSA-N 322.380 3.802 0 40 DHAB C[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(F)cc1 49930137 AAWPBCPCDUUWEY-CQSZACIVSA-N 301.361 3.862 0 40 DHAB O=C(COCc1ccccc1)c1ccc(Br)s1 50159308 DMRLDWCXEGKLRM-UHFFFAOYSA-N 311.200 3.910 0 40 DHAB CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 58341683 LPJFMUHRXHVPBO-SFHVURJKSA-N 316.489 3.938 0 40 DHAB CC[C@H](C)N(C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 58405888 UPGMDYHXTQQDAH-HOTGVXAUSA-N 304.478 3.793 0 40 DHAB Cc1noc(C)c1C(=O)Nc1ccc(Nc2ccccc2)nc1 69457903 BSXBVRYZEQGOQM-UHFFFAOYSA-N 308.341 3.682 0 40 DHAB CC(C)(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cccs1 71800103 SSGMUSNWEMXPLC-HNNXBMFYSA-N 317.410 3.994 0 40 DHAB c1ccc2c(-c3csc(N4CCSCC4)n3)c[nH]c2c1 72078675 WLYKHXPXAHEAMI-UHFFFAOYSA-N 301.440 3.845 0 40 DHAB CN[C@H](c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72207694 PXDBZPAFECMRLS-JKSUJKDBSA-N 304.434 3.594 0 40 DHAB CC(C)(C)SCCNC(=O)CSCc1ccccc1F 78582113 QUYRXPCNSCQPHJ-UHFFFAOYSA-N 315.479 3.707 0 40 DHAB Cc1ncsc1CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 79044970 RLDBTHYNMMIFNI-PBHICJAKSA-N 315.486 3.594 0 40 DHAB Cc1cccc(CN(Cc2cccc(C)n2)Cc2ccco2)n1 91894002 MBSWIEGPGLJEAU-UHFFFAOYSA-N 307.397 3.889 0 40 DHAB Cc1nn(-c2ccccc2)cc1CN[C@@H](C)c1cncc(F)c1 96004793 GQUZPZNUBPYAKL-ZDUSSCGKSA-N 310.376 3.566 0 40 DHAB COC[C@@H](N[C@H](C)c1cnc2ccsc2c1)c1ccco1 96478951 QZIKCHLVTQDXGC-BXUZGUMPSA-N 302.399 3.928 0 40 DHAB O=C(Nc1cnc(Oc2ccccc2F)nc1)C1CCCCC1 224281631 SHBHLWZWSNWDLK-UHFFFAOYSA-N 315.348 3.927 0 40 DHAB Cc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc(C)c1O 257316073 VDZSCUNHZMXUNO-FEBARNBZSA-N 316.441 3.884 0 40 DHAB Cc1ccsc1/C=C1\S[C](Nc2ccccc2F)NC1=O 408811363 QTIWNDLPJGDVKK-UHFFFAOYSA-N 319.406 3.959 0 40 DHAB CCCc1c(NCc2cnc(C)n2C)cnn1-c1ccccc1C 580725372 AZGBDMVRRFWPGI-UHFFFAOYSA-N 323.444 3.787 0 40 DHAB Cc1c(Br)cccc1C[C@@H](C)NCC(C)(F)F 1083805689 OBTWLDJWQIROID-SECBINFHSA-N 306.194 3.933 0 40 DHAB Cc1nc2cc(NC(=O)c3cc(C4CC4)ncn3)ccc2s1 1888888464 NFUVCYHVHPUWHY-UHFFFAOYSA-N 310.382 3.524 0 40 DHAB CCCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 190317 RQQAKYXJNUAVCF-UHFFFAOYSA-N 301.415 3.666 0 40 DHAB CC(=O)Nc1ccccc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 300358 OZYKECDIWRBBAF-LIRRHRJNSA-N 314.429 3.686 0 40 DHAB CCN(CCO)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 385608 YWPYATFXWMJTNB-UHFFFAOYSA-N 305.462 3.736 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 569136 CAAJCGGUGGAAMG-UHFFFAOYSA-N 321.229 3.558 0 40 DHAB COc1ccc(NC(=O)c2cccc(F)c2)cc1Br 570585 CUODLSQLIJSTMH-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB Cc1cc(C)n(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)n1 1387407 IRKCFLAXCCMRIF-UHFFFAOYSA-N 309.213 3.922 0 40 DHAB Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)c(C)c2)cc1C 1577557 FPKMDVFAXRQSIY-UHFFFAOYSA-N 310.397 3.888 0 40 DHAB COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1O 1611146 HVXBOLULGPECHP-AATRIKPKSA-N 316.353 3.597 0 40 DHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)OC 3194711 UINAUXBKSZQLPW-UHFFFAOYSA-N 305.355 3.770 0 40 DHAB O=C(NC/C=C\Br)Nc1cccc2c1CCCC2 5046641 JFWMDNPYPQJQSO-WTKPLQERSA-N 309.207 3.596 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 5356018 RMSOACOAAUKODE-WXJAXGNASA-N 324.376 3.923 0 40 DHAB C/C(=C\c1ccccc1)C(=O)N1C(=O)OC[C@H]1c1ccccc1 5494345 SUFWXWMGGYQMKZ-VSOYFRJCSA-N 307.349 3.810 0 40 DHAB CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](CC)C2 6119386 DPVQPASCOHKAPY-SNVBAGLBSA-N 322.474 3.737 0 40 DHAB O=C(COc1cccc2cccnc12)Nc1ccc(Cl)cc1 6128003 LGCNNNWDBQHEHW-UHFFFAOYSA-N 312.756 3.906 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(C)c2)cc1 6402735 UMMMGYOAAZFRJI-UHFFFAOYSA-N 311.381 3.995 0 40 DHAB CC[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccccc1 6664300 QDFYWKUBKZNKRB-DZGCQCFKSA-N 307.397 3.934 0 40 DHAB CC[C@H](NC(=O)COc1cccc(C)c1)c1ccc(OC)cc1 7037354 TYHZPOICGHBHHY-SFHVURJKSA-N 313.397 3.650 0 40 DHAB CN(C)Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 7985956 AUPXWIPEMFTOJN-UHFFFAOYSA-N 317.820 3.723 0 40 DHAB C[C@@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cn1 8150730 WJNLFPWLQBRBRY-SECBINFHSA-N 310.781 3.993 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1cccs1 8341499 HUDZRHJLCSDUEI-CQSZACIVSA-N 304.415 3.649 0 40 DHAB CC(=O)N[C@H](CC(=O)Nc1ccc(C)cc1C)c1cccs1 8751388 PEJYNACMCJRBDZ-OAHLLOKOSA-N 316.426 3.571 0 40 DHAB Cc1ccc2nc(CSc3ccc4c(c3)OCCO4)cn2c1 9911451 DYMLXZMEHLHCAV-UHFFFAOYSA-N 312.394 3.706 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN(C(C)C)C(C)C 11027329 FVWVHROWEIKEIH-HCXYKTFWSA-N 313.526 3.944 0 40 DHAB O=C(Nc1ccc(F)cc1)c1nn(-c2ccccc2)c2c1CCC2 12751758 DLFSTVUKDWVAJE-UHFFFAOYSA-N 321.355 3.752 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1ccccc1OC(F)(F)F 12906022 GBVVMUGNXCJDRJ-UHFFFAOYSA-N 313.250 3.906 0 40 DHAB COc1cccc(C(=O)NCCCO[C@@H](C)c2ccccc2)c1 12971565 QPOCTOZMGSMSPD-HNNXBMFYSA-N 313.397 3.593 0 40 DHAB CC1CCN([C@H](C)CNC(=O)Nc2ccc(Cl)cc2)CC1 13964673 XFASMQNWFHYIPS-CYBMUJFWSA-N 309.841 3.582 0 40 DHAB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1 14186429 ZVZSJLGTALSXFF-UHFFFAOYSA-N 308.381 3.819 0 40 DHAB CCc1nc(N)nc2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 15424337 CZXHDLGCGDHYOR-ZDUSSCGKSA-N 323.440 3.831 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 15841227 PEHHPEHQMXYYHJ-UHFFFAOYSA-N 313.382 3.731 0 40 DHAB COc1ccccc1-n1c(C)cs/c1=N\C(=O)c1ccccc1 16804923 QQZUILLRWCECSC-HNENSFHCSA-N 324.405 3.597 0 40 DHAB CCOc1ccc(NC(=S)Nc2ccc(O)cc2C)cc1 17030841 CEYDZCGUDQWXDU-UHFFFAOYSA-N 302.399 3.908 0 40 DHAB CCCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 17270441 OBVOFOIHBQVDMN-UHFFFAOYSA-N 301.781 3.681 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2Cl)cc1 17907978 OCGSVNBYJZYIME-LLVKDONJSA-N 316.788 3.789 0 40 DHAB CC(C)CCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 18941230 JQJQOLAAKPNAHG-UHFFFAOYSA-N 324.471 3.672 0 40 DHAB COc1ccc(CCC(=O)Nc2c(F)cccc2F)cc1OC 20460874 LHTXCGASLJWJSA-UHFFFAOYSA-N 321.323 3.553 0 40 DHAB COc1cccc(CN(C)C(=O)NCC2(c3ccccc3)CC2)c1 22427196 NQAOJSKAYDDBIM-UHFFFAOYSA-N 324.424 3.568 0 40 DHAB CCc1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)s1 23140941 KUTSUNMVTPNDSC-UHFFFAOYSA-N 316.430 3.512 0 40 DHAB C[C@@H](NC(=O)CCc1cccnc1)c1ccc2c(c1)CCCC2 23954815 LWNMGZJQZHKHDO-OAHLLOKOSA-N 308.425 3.770 0 40 DHAB Cc1ccc([C@H](CNC(=O)CC(C)C)N2CCCCC2)cc1 27583967 YMYGBELISPTPPX-SFHVURJKSA-N 302.462 3.684 0 40 DHAB O=C(NCCCSc1ccccc1)c1ccc(O)c(Cl)c1 31351572 WZIRRFMWXLNXIV-UHFFFAOYSA-N 321.829 3.958 0 40 DHAB O=C(c1csc(Cc2ccccc2)n1)N1CCc2ccccc21 31547714 SUVPGZUTQKKAHA-UHFFFAOYSA-N 320.417 3.937 0 40 DHAB CC(C)COCCCNC(=O)c1ccc(-c2ccccc2F)o1 39984348 RKEZJQLKYAFSKN-UHFFFAOYSA-N 319.376 3.878 0 40 DHAB COc1cc(/C=C/C(=O)N(C)C2CCCC2)cc(Cl)c1OC 40013191 MJJHBLIYRMFQAY-CMDGGOBGSA-N 323.820 3.771 0 40 DHAB CCCCOc1ccc(CCNC(=O)c2ccc(C)o2)cc1 40122367 YCFYXVTWSGRRRG-UHFFFAOYSA-N 301.386 3.739 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)Oc2ccc3c(c2)CCC(=O)N3)C1(C)C 42887298 BYQDQLKEODSFHT-RHSMWYFYSA-N 313.397 3.715 0 40 DHAB CN(C(=O)Cc1n[nH]c2ccccc12)c1ccc2ccccc2c1 50557993 KQARLJDRJXKVSL-UHFFFAOYSA-N 315.376 3.922 0 40 DHAB O=C(NC[C@H]1CCCc2ccccc21)c1ccc(NC2CC2)nc1 60563684 DVLGDBSVMVQJDY-OAHLLOKOSA-N 321.424 3.506 0 40 DHAB CN(CC1CC1)C(=O)c1cnc(-c2ccccc2Cl)s1 64919135 WJNGQOHALAWVMC-UHFFFAOYSA-N 306.818 3.946 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1[C@H]1CCc2ccccc21 65184404 ZIEFSYYBXLLBCJ-INIZCTEOSA-N 313.784 3.749 0 40 DHAB O[C@H](c1ccc(Cl)cc1)C1CCN(c2ccccn2)CC1 67373817 RBCMWKKPBFQYFZ-QGZVFWFLSA-N 302.805 3.685 0 40 DHAB Cc1cc(OC(C)C)ccc1NC(=O)Cc1c(C)noc1Cl 69442674 BCCLTEBYFCZGJN-UHFFFAOYSA-N 322.792 3.913 0 40 DHAB CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(F)cc1 69737006 FZKHYVBBQLGGNI-UHFFFAOYSA-N 306.724 3.690 0 40 DHAB O=Cc1cn(C(F)(F)C(F)(F)Br)c2ccccc12 70450798 NBSXBHSRHRLGFS-UHFFFAOYSA-N 324.071 3.991 0 40 DHAB Cc1cccnc1[C@H](C)Nc1nccc(CCC(F)(F)F)n1 71523754 VFZOEKHHWUJZNF-NSHDSACASA-N 310.323 3.848 0 40 DHAB O=C([C@H]1Cc2ccccc2O1)N1CCCCC[C@H]1c1ccncc1 71798124 QTEBCRKIHMKIFT-PKOBYXMFSA-N 322.408 3.529 0 40 DHAB Nc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72212446 QBMPZEKLHLXIQW-MRXNPFEDSA-N 311.385 3.528 0 40 DHAB CCCO[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 72273245 XIQKRXQVHMYUSF-OAHLLOKOSA-N 300.402 3.589 0 40 DHAB CCOc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 72331689 WEBIDYNTHVFEAJ-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB CC(=O)N1CCC(c2cccc(Cc3ccccc3C)n2)CC1 72357565 IZZDRLYMDMYMFK-UHFFFAOYSA-N 308.425 3.707 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 89355921 YMWBHTYUYCEUIH-KBPBESRZSA-N 315.335 3.719 0 40 DHAB O=C(CC[C@@H]1CCCO1)Nc1cccc(Oc2ccccn2)c1 96433209 RQDKWLMIDBGZFF-HNNXBMFYSA-N 312.369 3.772 0 40 DHAB Clc1ccccc1CNc1nc(-c2ccncc2)ns1 97143594 BRQYUWWCOOUZHZ-UHFFFAOYSA-N 302.790 3.866 0 40 DHAB O=C(O)c1cc(Cl)ccc1NC(=S)NC1CCCCC1 216931099 FCGLMSIFJYQIEZ-UHFFFAOYSA-N 312.822 3.657 0 40 DHAB Cc1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222557050 SAEGZKMOOHJDEP-RRQGHBQHSA-N 309.438 3.979 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCc1ccccc1 224538393 VPZMWOWAGPLRIX-MRXNPFEDSA-N 323.436 3.692 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCSC2CCCC2)c(C)c1 225168395 XNTCXRFZHUXDLG-OAHLLOKOSA-N 321.486 3.863 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@@H](O)CNC1CCCCC1)C2 230111635 BLSUEDKUVBIVGS-MMTROXRISA-N 323.521 3.891 0 40 DHAB C[C@@H]1C[C@H](OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)CC(C)(C)C1 247860758 FWSHCMODWGVIGW-ICUGJSFKSA-N 311.510 3.842 0 40 DHAB Cc1cncc(C2CCN(Cc3c[nH]c4ccccc34)CC2)n1 257251710 JRVWZFBNFLYIGE-UHFFFAOYSA-N 306.413 3.646 0 40 DHAB Cc1c(CN2CCC(c3cnccn3)CC2)[nH]c2ccc(F)cc12 257323949 WMNXJRDSUYUUOG-UHFFFAOYSA-N 324.403 3.785 0 40 DHAB Cc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)s1 409076001 WFGFBZQMKLILAC-MDWZMJQESA-N 318.785 3.807 0 40 DHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 504510446 XFRHZHQTVBHKOM-FGTMMUONSA-N 309.365 3.985 0 40 DHAB CCc1oc2ccccc2c1CN1CCC[C@H](c2n[nH]c(C)n2)C1 544597518 JJGJSFXMJPCWFX-AWEZNQCLSA-N 324.428 3.801 0 40 DHAB Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cn2c(n1)CCC2 566255961 DKDCRIIHXQJCDQ-GOSISDBHSA-N 311.429 3.607 0 40 DHAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2c(C)coc2C)cc1 670801956 XZCDMHIJNNGZPY-AEFFLSMTSA-N 313.397 3.855 0 40 DHAB CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1 45008 QTESYIWLCFCXCR-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB COc1ccc2sc(NC(=O)/C=C/c3ccccc3)nc2c1 1011288 VMLMYKOPPHWWRO-JXMROGBWSA-N 310.378 3.957 0 40 DHAB Cc1nn(C)c(C)c1Cc1ccc(OC(=O)c2ccccc2)cc1 1390855 FQAGRSCZKPJKFV-UHFFFAOYSA-N 320.392 3.847 0 40 DHAB COc1ccc(C(=O)c2cccc(CN3CCCCC3)c2)cc1 2514996 GDPRKFPGCXGJNX-UHFFFAOYSA-N 309.409 3.912 0 40 DHAB Cc1nn(-c2ccccc2)c2nc3ccccc3c(C(=O)O)c12 3190595 YCSGXJKIGLQZCR-UHFFFAOYSA-N 303.321 3.580 0 40 DHAB biogenic Cc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cccc2C)cc1 3282007 CIQNKOXOLQEPHZ-VAWYXSNFSA-N 323.392 3.807 0 40 DHAB CCOc1ccccc1NC(=O)CSc1ccc(F)cc1 3492390 PSGLIAISIDJVFF-UHFFFAOYSA-N 305.374 3.955 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 5440492 QEPKSFVGLJOYIZ-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB Cc1ccc(N2C(=O)[C@@H](CN3CCCC3)[C@H]2c2ccccc2)cc1 5541431 WZTQWILGFCKYHD-VQTJNVASSA-N 320.436 3.795 0 40 DHAB COc1ccccc1-c1nnc(S)n1-c1cccc(Cl)c1 6533684 ZJRGGILOXXDTGE-UHFFFAOYSA-N 317.801 3.885 0 40 DHAB COc1ccc(CNC(=O)c2ccc3ccccc3c2)cc1OC 6639469 UBQYRPXGIQUWQD-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB Cc1[nH]c2ccc(C(=O)Oc3ccc4c(c3)OCO4)cc2c1C 7062298 AIQGYOBVXJTMQM-UHFFFAOYSA-N 309.321 3.733 0 40 DHAB CC(C)CNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 8208715 OFUUNLDCXJXHSY-UHFFFAOYSA-N 301.415 3.763 0 40 DHAB C[C@@H]1Sc2ccc(C(=O)N(C)C3CCCCC3)cc2NC1=O 9366444 QMENJOAIFLVAKG-NSHDSACASA-N 318.442 3.524 0 40 DHAB CN(C)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 10323778 WXUMNZARLISNNC-UHFFFAOYSA-N 308.425 3.604 0 40 DHAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccccn2)c1 12085263 YBKLQPLDFPGHIL-OXFYSEKESA-N 324.424 3.522 0 40 DHAB CC(C)c1nnc2n1N1C(=CS[C@@H]1c1ccccc1)S2 12409076 OWBYCEKHPVYBST-CYBMUJFWSA-N 302.428 3.690 0 40 DHAB Cc1cc(C(=O)Nc2nc3c(C(C)C)cccc3s2)on1 12422475 MIJWSMXEXNKXKE-UHFFFAOYSA-N 301.371 3.968 0 40 DHAB CCC1CCC(Nc2ccc(OC)cc2)(P(=O)(O)O)CC1 12538237 YAWVDWLZFPOHOQ-UHFFFAOYSA-N 313.334 3.581 0 40 DHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NOCc1ccccc1 12799138 JGBYMPKNXKVOGS-ZDUSSCGKSA-N 319.788 3.664 0 40 DHAB Nc1nc(N)c2cc(Sc3ccc(Cl)cc3)ccc2n1 13207519 OFGRXGJDGPQWBD-UHFFFAOYSA-N 302.790 3.599 0 40 DHAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)C 13778489 RVXQPVVEFQCJLE-UHFFFAOYSA-N 314.429 3.621 0 40 DHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(Cl)cn1 15479306 KNRSKNIUPSGZET-LBPRGKRZSA-N 321.833 3.572 0 40 DHAB COC(=O)c1ccccc1N(C)C(=O)Nc1ccc(Cl)cc1 16188849 QDDLOVCAPWKZAQ-UHFFFAOYSA-N 318.760 3.795 0 40 DHAB COc1cc(CO)ccc1OCc1cccc(Br)c1 20032066 BTILSUPPAYBABP-UHFFFAOYSA-N 323.186 3.529 0 40 DHAB NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 20154568 YLLZQZWSFIOCMA-UHFFFAOYSA-N 319.773 3.509 0 40 DHAB Clc1ccc(Nc2nc(-c3ccc4c(c3)OCO4)n[nH]2)cc1 20411726 RFAXEQKTKKUQQF-UHFFFAOYSA-N 314.732 3.597 0 40 DHAB COc1ccccc1CC(=O)N[C@H](C)c1cc2ccccc2o1 21933416 UOKFOJQUQABJDA-CYBMUJFWSA-N 309.365 3.861 0 40 DHAB COc1ccc(-n2nc(Cl)nc2-c2ccccc2OC)cc1 22125932 FWGKEMYVZPVTRK-UHFFFAOYSA-N 315.760 3.605 0 40 DHAB CN(C)CCN1C[C@@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12 22585506 FXNFBJIRFUKCIC-MUGJNUQGSA-N 302.506 3.787 0 40 DHAB COc1cc(OC)c(OC)cc1CNCc1ccc(C)cc1C 22793203 BMXYXAVMKRONLN-UHFFFAOYSA-N 315.413 3.619 0 40 DHAB CCCc1ccc(-c2nc(NC(=O)COC)sc2C)cc1 22845800 ZFGUGDMGKSYUHV-UHFFFAOYSA-N 304.415 3.656 0 40 DHAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)C3CC3)o2)cc1C 25595158 KMAILOKBJLVAJE-AWEZNQCLSA-N 312.413 3.806 0 40 DHAB CC(C)CCCNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 26146947 PSBWLVUEXZSJAU-OAHLLOKOSA-N 314.433 3.669 0 40 DHAB Cc1ccc(O[C@@H](C)c2nnc(S)o2)c(Br)c1 26469465 DORNWPXYOYQOQV-ZETCQYMHSA-N 315.192 3.569 0 40 DHAB Cc1cc2ncn(CC(=O)N(CC(C)C)CC(C)C)c2cc1C 27792527 SIWPMSHVVCLDLR-UHFFFAOYSA-N 315.461 3.794 0 40 DHAB C[C@H]1CN(Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 32757837 LQLJNYDIYOLDIV-TXEJJXNPSA-N 306.793 3.604 0 40 DHAB CC(C)(CNC(=O)C1CCC1)c1ccc(Br)cc1 32931320 JWFVAELTMIQWOT-UHFFFAOYSA-N 310.235 3.643 0 40 DHAB C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1 35047782 NMZGDAGBEYLRLH-JTQLQIEISA-N 323.223 3.943 0 40 DHAB Cc1cccc(N2C(=O)SC[C@@]23C(=O)Nc2ccccc23)c1 39324353 WFSVDIDZBCKCCP-QGZVFWFLSA-N 310.378 3.516 0 40 DHAB CC[C@@H](C)c1noc(C2CCN(C(=O)c3ccoc3C)CC2)n1 41122036 LGQPYKGUNPVPIX-LLVKDONJSA-N 317.389 3.504 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(C(C)=O)cc2)cc1F 44194860 XOXOIGSEVWWTBL-UHFFFAOYSA-N 318.373 3.846 0 40 DHAB CC(C)c1nc(CS(=O)(=O)c2ccccc2Cl)cs1 47621409 HTCXWWUMXKHYHA-UHFFFAOYSA-N 315.847 3.894 0 40 DHAB COCCOc1c(Cl)cccc1NC(=O)c1ccsc1 49314783 DUHIBDGMMGSQEN-UHFFFAOYSA-N 311.790 3.679 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(OC)c(F)c2)c(C)c1 51355968 WNZTUJNAJCDFGU-UHFFFAOYSA-N 304.321 3.795 0 40 DHAB C[C@@H](NC(=O)CCc1ccccc1O)c1ccc(F)c(Cl)c1 55744098 HMTBIYZOKROOMV-LLVKDONJSA-N 321.779 3.995 0 40 DHAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H]1C1CCCC1 56035246 JIXZATVKCKFNHQ-MRXNPFEDSA-N 311.385 3.531 0 40 DHAB CC(C)(C)c1nnc(CN2CCC[C@H]2Cc2ccc(F)cc2)o1 56304802 UMCMIIDMYWANQR-HNNXBMFYSA-N 317.408 3.713 0 40 DHAB Cc1c([C@@H](C)NC(=O)C[C@H](C)CCc2ccccc2)cnn1C 58218998 STGGLMJSJVYHFF-HUUCEWRRSA-N 313.445 3.565 0 40 DHAB C[C@@H]1CCN(C(=O)c2cccc3c2OCCO3)c2ccccc21 58407701 GUWLKLNBBSCUHP-CYBMUJFWSA-N 309.365 3.612 0 40 DHAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)cc2c1C 60740467 SMEOTJTWHFSEKI-HNNXBMFYSA-N 322.412 3.528 0 40 DHAB c1ccc(OCCCSc2nncn2-c2ccccc2)cc1 60970915 ZSHUILWAXIZIBJ-UHFFFAOYSA-N 311.410 3.829 0 40 DHAB COc1cc(Cl)cc2c1OCC(=O)N(c1cccc(C)c1)C2 67323868 OAMAGDOTWKALPQ-UHFFFAOYSA-N 317.772 3.583 0 40 DHAB CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccoc2)c1 69521372 NSNGCKCFLKGITQ-UHFFFAOYSA-N 316.357 3.557 0 40 DHAB O=C(CS[C@H]1CCCc2ccccc21)NCc1ccccn1 69777285 YUJYDMGVKDQSIP-KRWDZBQOSA-N 312.438 3.509 0 40 DHAB C[C@H](NC(=O)[C@H](C)C(F)(F)F)c1ccccc1Br 72302700 RMKPPONDOGSKDM-YUMQZZPRSA-N 324.140 3.825 0 40 DHAB CO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(F)c(C)c2)cs1 79022260 KJQAVQBTLSWIMT-NSHDSACASA-N 322.405 3.570 0 40 DHAB CSCC(=O)Nc1ccc(OCc2ncc(C(C)C)o2)cc1 79097195 FZSQINGOHIHDJR-UHFFFAOYSA-N 320.414 3.679 0 40 DHAB CCc1ccccc1NC(=O)C[C@@H](C)NCc1cccs1 89289564 OFLRPURJOYBZCI-CYBMUJFWSA-N 302.443 3.817 0 40 DHAB COC(=O)c1csc(NC(=O)N(C)[C@H](C)c2cccs2)c1 89910138 LCMYDPXBCXYJAA-SECBINFHSA-N 324.427 3.821 0 40 DHAB O=C(Nc1ccc(F)cc1NC1CC1)c1ccncc1Cl 95427306 YFHLZZBTWAPBAI-UHFFFAOYSA-N 305.740 3.701 0 40 DHAB COC(C)(C)C[C@@H](C)NC1CCN(Cc2ccccc2C)CC1 95967339 ACYKIMAWCDSNIC-QGZVFWFLSA-N 318.505 3.753 0 40 DHAB COC[C@@H](NC(=O)Nc1ccc(SC)c(F)c1)c1ccco1 96446016 YEILKDRGBAPMPL-GFCCVEGCSA-N 324.377 3.650 0 40 DHAB CC(C)CCn1c(=S)[nH]c2c(sc3ncccc32)c1=O 100020936 XYYPNHMXBQBJOH-UHFFFAOYSA-N 305.428 3.715 0 40 DHAB O=C(Nc1cccc(N2CCCCC2=O)c1)[C@H]1C[C@H]2CC[C@H]1C2 105722065 VALSOPNGTWRRRR-ZQIUZPCESA-N 312.413 3.578 0 40 DHAB Cc1nccn1C[C@H](C)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 129715421 UXPVCZLLUGMTLH-KWCYVHTRSA-N 303.372 3.538 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)CCc1ccc(F)cc1 223359391 DVLMDBVDPOCVMH-SFHVURJKSA-N 320.452 3.529 0 40 DHAB Cc1cc(O[C@H](Cc2ccc(F)cc2)C(=O)O)ccc1Cl 225054011 VRUQOXLOYQEERT-OAHLLOKOSA-N 308.736 3.862 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCC(C)C)c1 225380492 ZENWTHYBDSLMLU-UHFFFAOYSA-N 308.447 3.504 0 40 DHAB CC1(C)C[C@@H](NC(=O)NC2CCCCC2)c2ccccc2O1 225756705 IWNWVMFASDRTER-OAHLLOKOSA-N 302.418 3.921 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1 226265749 LCGBKGRZRXUNHJ-UHFFFAOYSA-N 309.413 3.820 0 40 DHAB Cc1c(N)cccc1-c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 226301834 VQWBTYJTAKOHCJ-CHWSQXEVSA-N 312.413 3.955 0 40 DHAB CC(C)(C)OC(=O)NC1CCC2(CC1)CCC(C(=O)O)CC2 309873189 SOHWGTRYELLVAQ-UHFFFAOYSA-N 311.422 3.715 0 40 DHAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1ccccc1F 408535090 XUCVFVRZPMDGMT-ZHACJKMWSA-N 319.339 3.935 0 40 DHAB Cc1ccc(-c2noc(CN3CC[C@@H]3Cc3ccccc3)n2)cc1 530994612 RBIUVGOJTDHIEH-GOSISDBHSA-N 319.408 3.862 0 40 DHAB c1ccc2nc(N3CCC[C@H](COc4ccncc4)C3)ccc2c1 1775974082 BGKVEHZZGOXDHD-INIZCTEOSA-N 319.408 3.925 0 40 DHAB Clc1ncn(CCCn2cnc(Cl)c2Cl)c1Cl 161539 VDHSUKZQLOSGKT-UHFFFAOYSA-N 314.003 3.784 0 40 DHAB Cc1cc(C)nc(SCCC(=O)Nc2ccccc2C)n1 386142 JQAQJDPVIMPIHX-UHFFFAOYSA-N 301.415 3.523 0 40 DHAB CC(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 1511380 KHPHCLMGHXPKDD-UHFFFAOYSA-N 311.204 3.839 0 40 DHAB c1ccc(NNN2N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1 1652825 UEVZHRAFNXLDOE-WOJBJXKFSA-N 316.408 3.821 0 40 DHAB C[C@@H]1CCCN(C(=O)CSc2nc3cc(Cl)ccc3o2)C1 3228405 LFJQOMDIEIVILI-SNVBAGLBSA-N 324.833 3.832 0 40 DHAB Cc1nc(Cc2nc3ccccc3n2Cc2ccccc2F)no1 4304951 ITEMHOZGNGFEAY-UHFFFAOYSA-N 322.343 3.506 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1 4901489 UQEWZUCEJQSQIO-UHFFFAOYSA-N 307.397 3.790 0 40 DHAB Cc1ccc2cccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)c2n1 5198690 DWCSZDGVETVGSZ-GJZGRUSLSA-N 312.413 3.712 0 40 DHAB CCOc1ccc(-c2cccc(NC(=O)c3ccccc3)c2)nn1 5259620 FBUWPCWCEFGINA-UHFFFAOYSA-N 319.364 3.795 0 40 DHAB CC(C)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 5522959 HGSDHRRBPKTZEC-UHFFFAOYSA-N 323.845 3.942 0 40 DHAB COc1ccc2ccccc2c1[S@](=O)NC1CCCCC1 5527398 ANMPFDMJHISMBT-OAQYLSRUSA-N 303.427 3.793 0 40 DHAB CCCCCCNCC(=O)N1CCC(Cc2ccccc2)CC1 6203366 DCQWIQZESRZBCZ-UHFFFAOYSA-N 316.489 3.638 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1ccc(Br)cc1 6629719 NAFHGELSRRHOKK-SECBINFHSA-N 301.253 3.924 0 40 DHAB CCCc1nnc(NC(=O)Cc2coc3ccc(C)cc23)s1 6809800 WDJLHHFCRSPJRI-UHFFFAOYSA-N 315.398 3.726 0 40 DHAB Cc1ccc(/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)o1 6866122 QYYQPWKEBJUCML-RIYZIHGNSA-N 301.729 3.894 0 40 DHAB COC(=O)c1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1 6879729 QKDYCJGUEBAVGK-UHFFFAOYSA-N 311.381 3.527 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)CSc1ncccn1 6913650 NZYPZAIYTHASHR-LBPRGKRZSA-N 301.415 3.721 0 40 DHAB Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccccc2)no1 7494323 PLSPIWFGNTVABJ-UHFFFAOYSA-N 305.381 3.998 0 40 DHAB Cc1cc(C)c(S(=O)(=O)NCCCc2ccccc2)c(C)c1 7668395 OCMFQCDMHSERAK-UHFFFAOYSA-N 317.454 3.523 0 40 DHAB O=c1ccc(C(F)(F)F)cn1CCOc1ccccc1Cl 7778912 LRRRDUBGIOSHSE-UHFFFAOYSA-N 317.694 3.600 0 40 DHAB Cc1ccc(C)c(OCC(=O)N[C@H](C)CCc2ccccc2)c1 7967118 IMRUFOYRHJLRPV-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB COc1ccc(OC)c2sc(NC(=O)C3CCCCC3)nc12 9599502 UTTJPDJDLFFBMT-UHFFFAOYSA-N 320.414 3.832 0 40 DHAB COc1ccc(-c2csc3ncnc(-n4ccnc4)c23)cc1 9603573 DZSZYTGHGUVOMC-UHFFFAOYSA-N 308.366 3.553 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12560105 VSGXIFXLNCURFQ-INIZCTEOSA-N 309.344 3.679 0 40 DHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1Cc2ccccc2S1 12617177 BKGCOXPBRLIRCI-AFRKLYKTSA-N 313.466 3.788 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)n1 12929666 WZLCUPIMNAFSET-UHFFFAOYSA-N 310.275 3.583 0 40 DHAB CC(=O)NCc1ccc(-c2csc(-c3ccc(F)cc3)n2)o1 14184656 HXAYCRDSAUYBNV-UHFFFAOYSA-N 316.357 3.845 0 40 DHAB COc1ccccc1NC(=O)N[C@H](C)c1ccccc1OC 18174232 LHTJIYFWYWKCIF-GFCCVEGCSA-N 300.358 3.587 0 40 DHAB Cc1noc(C)c1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 22629641 MTNRRAGSVQXGEW-UHFFFAOYSA-N 323.396 3.793 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1Cl 25365061 GLUXFZZHYRFJLU-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 27386482 COZSPYMXQJWMKU-CQSZACIVSA-N 324.355 3.987 0 40 DHAB COc1ccccc1NC(=O)c1csc(Cc2ccccc2)n1 30715649 ZPMHTFUUQICYDJ-UHFFFAOYSA-N 324.405 3.995 0 40 DHAB O=C(NCCSCc1ccco1)c1cc2ccccc2o1 31252341 DVLOSNDRPBEPOG-UHFFFAOYSA-N 301.367 3.689 0 40 DHAB CCOc1ncccc1CNC(=O)c1cc2ccccc2s1 31324160 HXGAMXGUXKSBIK-UHFFFAOYSA-N 312.394 3.625 0 40 DHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1nccs1 32610503 JKCQNBHUIAWOMS-UHFFFAOYSA-N 310.444 3.550 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Cc2ccccc2Cl)cc1F 32745009 GMAPDVXKWJUZGL-LLVKDONJSA-N 321.779 3.908 0 40 DHAB CC(=O)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1 32780835 DCSWOIOFATVUKP-UHFFFAOYSA-N 311.406 3.880 0 40 DHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C[C@H]2C=CCC2)c1 48331733 UFYLLASLAFWIGI-GJZGRUSLSA-N 314.429 3.644 0 40 DHAB Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)c2ccccc2C)cc1 48374095 HKEXSRJQMGAAOF-IRXDYDNUSA-N 310.441 3.659 0 40 DHAB COC(=O)c1ccc(OCc2cccc(Br)c2)cc1 57475626 QOGVEPOOHJSNGH-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB CCN(CC)[C@H](CNC(=O)c1cc(C)ccc1C)c1ccco1 58085194 OPAUEIICZNYOGV-QGZVFWFLSA-N 314.429 3.709 0 40 DHAB CN(C)CCN(CC1CCCCC1)C(=O)Nc1ccc(F)cc1 58147188 SPFWGPUZCZEHHP-UHFFFAOYSA-N 321.440 3.802 0 40 DHAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)c1 59227346 KNRHCEFEIBVOLH-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CC(C)[C@H](C)NC(=O)C1(c2ccccc2Cl)CCOCC1 69652782 BWMZNISOPPSZQV-ZDUSSCGKSA-N 309.837 3.549 0 40 DHAB CCCNC(=O)Nc1cccc(OCc2csc(C)n2)c1 69843862 PIXYXCHJQGQDTI-UHFFFAOYSA-N 305.403 3.562 0 40 DHAB C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ccc[nH]1 71832897 CWACDAOUHIRJHB-DYVFJYSZSA-N 300.377 3.696 0 40 DHAB CCOc1ccc(-c2cc(-c3cccc(OC)c3)nc(N)n2)cc1 71977788 FDPJAWFLFDCEGX-UHFFFAOYSA-N 321.380 3.800 0 40 DHAB CC(C)(C)OC(=O)NCc1ccc(Oc2ccccc2)nc1 72225174 GZBFZHDPSIBBJY-UHFFFAOYSA-N 300.358 3.899 0 40 DHAB C[C@H](Oc1ccccc1C(N)=O)c1ncc(-c2ccccc2)o1 72311179 KFXWGTYQCWWACO-LBPRGKRZSA-N 308.337 3.581 0 40 DHAB Cc1ccc(-c2[nH]ncc2C(=O)N[C@@H]2CCc3ccccc32)cc1 72328964 DCYFZXLVLLSGNN-GOSISDBHSA-N 317.392 3.802 0 40 DHAB O=C(NCc1cc2ccccc2[nH]1)c1c(F)c(F)cc(F)c1F 75093429 JVEYCGDTLVPXLY-UHFFFAOYSA-N 322.261 3.654 0 40 DHAB COCc1nc(C(=O)N2CCCCCc3ccccc32)cs1 76041266 SDIQLOUTUSQIQK-UHFFFAOYSA-N 316.426 3.663 0 40 DHAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)N1CCCCCCC1 79529332 AKXRBNSTOVCUNL-UHFFFAOYSA-N 312.417 3.552 0 40 DHAB CCN1CC[C@H](N(C)C(=O)Nc2cccc(Cl)c2)[C@H](C)C1 84780013 XERPCEOYYPCOAF-DOMZBBRYSA-N 309.841 3.534 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2ccc(C)c(O)c2)s1 89440546 NXTOJDQQODLUNC-LBPRGKRZSA-N 318.442 3.536 0 40 DHAB O=C(Nc1ccc2c(c1)COC2)N1CCC[C@@H]1Cc1ccccc1 92164593 PRWQIZOEJPOQDP-LJQANCHMSA-N 322.408 3.956 0 40 DHAB Cc1ncsc1CN[C@H](C)Cc1nc2ccccc2s1 95421969 BBMYMHSUWPDQSA-SNVBAGLBSA-N 303.456 3.782 0 40 DHAB CCCC[C@H](CC)CCN[C@@H]1CCCN(c2cccnn2)C1 95445331 KUMXUKUEQLTAQY-DLBZAZTESA-N 304.482 3.642 0 40 DHAB OC[C@@H]1N=NC2=CN=C(c3ccccc3)c3cc(Cl)ccc3N21 95869890 JXQLJHYYOMNARQ-MRXNPFEDSA-N 324.771 3.581 0 40 DHAB Cc1cccc(CN2CCC3(CC2)CC(OCC(C)C)C3)n1 96159308 ASWDUPKIUNLTHP-UHFFFAOYSA-N 302.462 3.807 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@@H]3C[C@@]13CC[C@@H]2C[C@H]1CCCC[C@]13O4 105364872 NYWUQKFITQFOEY-AWCPPTIMSA-N 304.430 3.741 0 40 DHAB O=C(Nc1cc2c(cc1Br)CCC2)c1cccnc1 195201169 LOJSUHJQSYIXLD-UHFFFAOYSA-N 317.186 3.585 0 40 DHAB Cc1ccccc1C(=O)N(Cc1cccs1)C1CCOCC1 206673031 XGYWIFRCZOZUIE-UHFFFAOYSA-N 315.438 3.878 0 40 DHAB CC[C@H](C(=O)OC)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223201072 HSEWCIMDIAEQOE-GXTWGEPZSA-N 305.418 3.739 0 40 DHAB Cc1ccc(-c2nc3cc(C(=O)N4CCCC4)ccc3[nH]2)cc1 225253882 WSFIHVQAXHZWDE-UHFFFAOYSA-N 305.381 3.774 0 40 DHAB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 62546 BFNYTEYVPTZRLM-XNTDXEJSSA-N 313.740 3.693 0 40 DHAB O=C1Nc2ccc(Cl)cc2C(=O)[C@]1(Cl)c1ccccc1 162367 NIGZEFRLLLMFTN-OAHLLOKOSA-N 306.148 3.609 0 40 DHAB CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC 217438 HSACPABJEOOYJH-UHFFFAOYSA-N 319.408 3.685 0 40 DHAB CC(C)(C)C(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 251529 HQHXVUWZCKJFFR-JTQLQIEISA-N 323.651 3.957 0 40 DHAB O=C1N/C(=C/c2cccc(F)c2)C(=O)N1c1ccc(Cl)cc1 564520 XTWUXSCAUMFAIP-NTEUORMPSA-N 316.719 3.576 0 40 DHAB Cc1nc(C)n([C@@H](Oc2ccc(Cl)cc2)C(=O)C(C)(C)C)n1 1238750 BBQIBADZFKXWOV-HNNXBMFYSA-N 321.808 3.741 0 40 DHAB Fc1ccc(CSc2nnnn2-c2ccccc2)c(Cl)c1 2618003 UUOHDGPFCVLKOY-UHFFFAOYSA-N 320.780 3.747 0 40 DHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccco1 3241666 DADJMQSHDRXGIE-UHFFFAOYSA-N 322.368 3.517 0 40 DHAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1C 3606649 CHKQIKGCFNLUCB-CQSZACIVSA-N 301.361 3.699 0 40 DHAB COCCCn1c(C)nnc1SCc1ccc(Cl)cc1 4130630 NLSBEEJELPQLBX-UHFFFAOYSA-N 311.838 3.569 0 40 DHAB CCc1c(C(=O)OC)c2cc(O)ccc2n1Cc1ccccc1 4288715 XPFDPBGCKRPUGQ-UHFFFAOYSA-N 309.365 3.744 0 40 DHAB CC(C)C(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 4680734 IHZHEZKPLLZBKJ-UHFFFAOYSA-N 302.418 3.734 0 40 DHAB Ic1c(-c2ccccc2)nc2ccccn12 5286420 KLJAGDQRQYYPTA-UHFFFAOYSA-N 320.133 3.606 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCCCC1 5567978 NEOFSCFZBYFIJY-UHFFFAOYSA-N 308.230 3.558 0 40 DHAB O=c1c2ccccc2nc2n1CC/C2=C\c1ccc(Cl)cc1 5685463 OLWVHXIZGSNSCW-ACCUITESSA-N 308.768 3.994 0 40 DHAB O=C(Nc1nccs1)c1ccccc1SC[C@@H]1CCCO1 7919015 WQVRIDQSWBQZMR-NSHDSACASA-N 320.439 3.667 0 40 DHAB O=C(O)Cc1csc(Nc2ccccc2C(F)(F)F)n1 8024885 IISWEXBKCSVBSG-UHFFFAOYSA-N 302.277 3.533 0 40 DHAB CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1 8162921 ATMOOTOCXIAUNO-INIZCTEOSA-N 313.397 3.893 0 40 DHAB Cc1ccc(NC(=O)CN(C)C(=O)C[C@H](C)c2ccccc2)cc1 8375748 AXUULMZAYHDURQ-INIZCTEOSA-N 324.424 3.586 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(OC(F)F)cc1 8489118 UUPXPBHWCJEXFC-SLSOJXQNSA-N 309.356 3.996 0 40 DHAB Cc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2N)cc1 8730754 XHXLPLCTIKNBQK-UHFFFAOYSA-N 300.365 3.954 0 40 DHAB COc1ccc2nc(NC(=O)Cc3cccc(F)c3)sc2c1 9377759 CVUAGTXOCANZPX-UHFFFAOYSA-N 316.357 3.625 0 40 DHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CNC1CCCCC1)C2 9970718 SFEWGPJTCPCSHS-MYZZLAAOSA-N 309.494 3.501 0 40 DHAB Cc1ccc(CCCNC(=O)COc2cc(C)cc(C)c2)cc1 10110579 HMULEYRXEHBSJM-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB O=C(NCCC(c1ccccc1)c1ccccc1)n1ccnc1 12520157 SBGPDYVRQBUZKW-UHFFFAOYSA-N 305.381 3.663 0 40 DHAB Cc1ccc(CN(C)CC(=O)N[C@H](C)c2cccs2)c(C)c1 12731926 STLTUNPJINDUNW-OAHLLOKOSA-N 316.470 3.674 0 40 DHAB CCN(CC)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 14161616 QAFFGIDNUJQXDF-UHFFFAOYSA-N 313.426 3.877 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 14396134 ZHWCQIPBMGRHLL-ZFWWWQNUSA-N 309.413 3.820 0 40 DHAB CCOc1ccccc1O[C@H](C)C(=O)Nc1ccc(C)c(F)c1 15363604 LFAKEUXLVZOGTH-CYBMUJFWSA-N 317.360 3.939 0 40 DHAB Fc1ccccc1OCCCNC(=S)Nc1ccccc1 15516859 ZTGPDGJWGFNOMU-UHFFFAOYSA-N 304.390 3.581 0 40 DHAB COc1ccccc1CNC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 16227315 SGIJDGOUBUOBKR-XCUOTZKBSA-N 311.381 3.741 0 40 DHAB CSc1ccc(CNC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 17992455 RPTOKXUCCSHRLQ-BXXOZEPKSA-N 303.471 3.582 0 40 DHAB O=C(c1ccc2c(c1)OCCCO2)N1CC[C@@H]2CCCC[C@H]2C1 21905371 BMVZUOJQJXRIFF-HOCLYGCPSA-N 315.413 3.500 0 40 DHAB CSc1ccccc1NC(=O)c1cn(C)c2ccccc2c1=O 22234231 RVQVRPKIRUUHLW-UHFFFAOYSA-N 324.405 3.513 0 40 DHAB Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1C 22463309 BRSGPNFMXHZYJV-FQEVSTJZSA-N 322.452 3.870 0 40 DHAB Cc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1 22509392 DICZFNRXSXWIEW-UHFFFAOYSA-N 303.789 3.686 0 40 DHAB CC[C@H](C)c1ccc(-c2csc(NC(=O)COC)n2)cc1 25055364 RLWVTXWOWYGEBO-NSHDSACASA-N 304.415 3.909 0 40 DHAB CCOc1ccc(SCc2nc3ccsc3c(=O)[nH]2)cc1 31326201 PFJOFUVOFIMYPA-UHFFFAOYSA-N 318.423 3.676 0 40 DHAB CCCn1nnc(NCc2ccc(-c3cccc(Cl)c3)o2)n1 32617045 SVFWICCYZNVONI-UHFFFAOYSA-N 317.780 3.609 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)N(C)C)C1(C)C 32850699 SWGZPHVUDRDBMM-FGTMMUONSA-N 314.473 3.644 0 40 DHAB CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc21 32905280 XRKBYNBXNDVPRB-LJQANCHMSA-N 304.393 3.856 0 40 DHAB O=C(NCCSc1ccccc1)c1cc(-c2ccccc2)no1 32913634 YDFJCKPUJMGSDP-UHFFFAOYSA-N 324.405 3.864 0 40 DHAB Cc1ccccc1-n1nnnc1C1(Nc2ccccc2)CCCC1 35622435 RPCNQZQIAQUXDL-UHFFFAOYSA-N 319.412 3.852 0 40 DHAB Cc1ncsc1C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 40107460 UKGORCVFUDSUIF-YGRLFVJLSA-N 316.426 3.973 0 40 DHAB Cc1c(Cl)ccc2c(N3CCCCC3)c(C(=O)O)cnc12 40165634 LDYMHEWTJGUXAQ-UHFFFAOYSA-N 304.777 3.885 0 40 DHAB CCOc1ccc(OCC)c(NC(=O)c2ccc(C)nc2C)c1 40556093 NEJKSBUASNHBHW-UHFFFAOYSA-N 314.385 3.748 0 40 DHAB Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1 44676324 PSYXHXOGGLBZMN-UHFFFAOYSA-N 310.304 3.597 0 40 DHAB O=C(CSCc1ccccn1)Nc1cccc2c1CCCC2 48221931 HOUQWCWFPREYCN-UHFFFAOYSA-N 312.438 3.832 0 40 DHAB COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)on2)cc1 53177675 STLGCRPCVFIIFC-UHFFFAOYSA-N 322.364 3.622 0 40 DHAB Clc1cccc(OCCN2CCN(c3ccccc3)CC2)c1 55183437 CMDAEMVPUJBEJV-UHFFFAOYSA-N 316.832 3.541 0 40 DHAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]1C1CCCC1 56033958 XRAMOBQEINIYSQ-INIZCTEOSA-N 311.381 3.588 0 40 DHAB O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N1CCCCC1 58330380 ZCVRZVLGWKLDCX-KBPBESRZSA-N 308.219 3.565 0 40 DHAB CCc1oc2ccccc2c1CNCc1cn2ccsc2n1 69062089 YANGQAJVRYNFCZ-UHFFFAOYSA-N 311.410 3.994 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N1[C@@H](C)CCC[C@H]1C 69462951 QBYOFEGYUAFKIR-TXEJJXNPSA-N 302.374 3.575 0 40 DHAB C[C@H](Nc1cc(Cl)nc(N)n1)C12CC3CC(CC(C3)C1)C2 69490721 FDFLCCAHDHLZIK-HMHCLHNZSA-N 306.841 3.729 0 40 DHAB CSCCc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1 69685592 AGSVINLSVVOXDO-ZDUSSCGKSA-N 315.442 3.870 0 40 DHAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2oc3ccccc3c2C)c1 70013650 YWRXWZZXLPMNLB-HNNXBMFYSA-N 323.396 3.551 0 40 DHAB Cc1noc([C@H](C)Nc2ccc(N3CCCCCC3)cc2)n1 70040616 YALQDVNDYVHOQZ-ZDUSSCGKSA-N 300.406 3.932 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCc3ccccc32)on1 71820956 GZAZGWAIKFOWGV-SJORKVTESA-N 310.397 3.767 0 40 DHAB O=C(c1cccnc1)N1CCC(c2c[nH]c3ccccc23)CC1 71821908 OKSPCUWUPFFUSD-UHFFFAOYSA-N 305.381 3.583 0 40 DHAB Cc1oc(-c2ccsc2)nc1CN[C@@H](C)[C@@H](C)n1cccn1 71882090 JLCKUUIPVBODSH-NWDGAFQWSA-N 316.430 3.647 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C)c1 72414353 DFDBYMLWFWJRTH-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB CC(C)[C@H](O)CCNC(=O)c1ccc(C2CCCCC2)cc1 76022760 DMZLEVMQQWDAFD-GOSISDBHSA-N 303.446 3.871 0 40 DHAB NC(=O)[C@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1 76083936 NUMNUZXLDRYEQG-GOSISDBHSA-N 319.364 3.512 0 40 DHAB COc1cccc(F)c1[C@H](C)NC(=O)N(C)Cc1ccsc1 76088668 AAKSDZLNUSAJJJ-NSHDSACASA-N 322.405 3.798 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 78579388 NGKRQVSETJDXLO-AWEZNQCLSA-N 317.816 3.775 0 40 DHAB Cc1cccc2c1N(C(=O)C[C@@H]1OCCc3ccccc31)CC2 89688971 OBGDYFLRTKHRBM-SFHVURJKSA-N 307.393 3.588 0 40 DHAB Cc1csc(N(C)Cc2csc(-c3ccccn3)n2)n1 89705670 TTYUGDBJSOCZIU-UHFFFAOYSA-N 302.428 3.606 0 40 DHAB CCn1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1=O 90997930 QWCAACBSIMNCRP-UHFFFAOYSA-N 321.380 3.586 0 40 DHAB Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1Cl 95067918 SGMCRWDLYYWRMC-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Cc1ccc(C)c(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 95440193 YBIBXFRXPKTPES-YCRPNKLZSA-N 301.455 3.892 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccccc1C(=O)O)C2 100730043 BECVJDQNRKFGFN-FVMIAERFSA-N 302.370 3.756 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2cccnc2)cs1 105873586 NILOXLYODCSATN-OBJOEFQTSA-N 313.426 3.970 0 40 DHAB O=C(CCc1ccc(Cl)cc1)NCCCOC1CCCC1 128250214 MZPAYESWRAQSNR-UHFFFAOYSA-N 309.837 3.738 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1F 225394832 OQTZRDLGRBBNRS-CYBMUJFWSA-N 301.361 3.942 0 40 DHAB COC(=O)c1ccc(Cc2ccco2)n1Cc1ccc(F)cc1 226031771 DZYCKLIFGQGAIW-UHFFFAOYSA-N 313.328 3.646 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)C1 247884852 SLJQCXKWMCDIOX-JCECYMMASA-N 311.510 3.557 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)OCO2 390832263 YGPCSFZQICHDLA-UHFFFAOYSA-N 321.332 3.605 0 40 DHAB O=C(Nc1cccc(COCCc2ccccc2)c1)N1CC=CC1 585120168 XKZGBBPUFAPHHI-UHFFFAOYSA-N 322.408 3.850 0 40 DHAB C=CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 585142130 PMHYCULMQRBHHB-AWEZNQCLSA-N 301.777 3.580 0 40 DHAB Cc1noc(C)c1C(=O)NC[C@H](c1ccco1)c1cccs1 585147697 KJOMUSQTJXQZIV-GFCCVEGCSA-N 316.382 3.508 0 40 DHAB CC(=O)Cn1c(SCCc2ccccc2)nc2ccccc21 29058 LRZZTWAVBYFZCO-UHFFFAOYSA-N 310.422 3.960 0 40 DHAB S=C(NC1CCCCC1)N1CCCC[C@H]1c1cccnc1 240143 PQQACCVEEUMVHN-INIZCTEOSA-N 303.475 3.816 0 40 DHAB biogenic Nc1nc2ccc(Oc3ccc4nc(N)sc4c3)cc2s1 241725 GCKXATWVQDPCKS-UHFFFAOYSA-N 314.395 3.863 0 40 DHAB biogenic O=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 324704 GUCADIRGPKVSKM-HNNXBMFYSA-N 311.385 3.590 0 40 DHAB CCn1c(NCc2ccc(OC)c(OC)c2)nc2ccccc21 532422 UTLZKIROHMTMOL-UHFFFAOYSA-N 311.385 3.686 0 40 DHAB O=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1 819400 ONAKBAHUXLBOGH-UHFFFAOYSA-N 307.806 3.776 0 40 DHAB c1ccc([C@@H]2O[n+]3ccccc3S[C@H]2c2ccccc2)cc1 1264348 RRRKGNGJOTYDIV-OALUTQOASA-N 306.410 3.991 0 40 DHAB C[C@H]1Oc2ccccc2C=C1/C=C1/N=C(c2ccccc2)OC1=O 1481435 CSAOVZIYSPZVLG-LVLBFHFTSA-N 317.344 3.738 0 40 DHAB C[C@H]1[C@@H](c2ccccc2)OCCN1C(=S)Nc1ccccc1 1740285 KFIHKFWVHAQLAG-YOEHRIQHSA-N 312.438 3.845 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc3c(O)cccc23)cc1 3250538 CJQANEIQSNYREL-UHFFFAOYSA-N 313.378 3.655 0 40 DHAB Cc1cc(C)c(NC(=O)COC(=O)C2CCCCC2)c(C)c1 3314711 CQBRJROHLMTCDL-UHFFFAOYSA-N 303.402 3.674 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(F)c(Cl)c1 3332040 ULNUKHOPDYEHAC-CMDGGOBGSA-N 311.765 3.892 0 40 DHAB CCOc1cccc(NC(=O)c2cc3sccc3n2C)c1 4971184 UMKAARHIZCRJKN-UHFFFAOYSA-N 300.383 3.891 0 40 DHAB CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1C 5106230 MNTHOOIFOXFQBJ-UHFFFAOYSA-N 321.405 3.897 0 40 DHAB COc1cccc(-c2nc(CSc3nncs3)cs2)c1 7195240 HYOJMCVGOXWEPW-UHFFFAOYSA-N 321.452 3.963 0 40 DHAB Clc1cc(Cl)cc(-c2ccc(CNn3cnnc3)o2)c1 7602188 SEDIKZHHLWAITM-UHFFFAOYSA-N 309.156 3.589 0 40 DHAB O=C(O)COc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 7713111 MZQNGUPVTQNSRA-XBXARRHUSA-N 321.332 3.574 0 40 DHAB CCOc1c(Br)cc(CNC(C)(C)C)cc1OC 8253328 NOZPQGZMVSRMGF-UHFFFAOYSA-N 316.239 3.745 0 40 DHAB Cc1c(-c2ccccc2)sc2ncnc(N3CCOCC3)c12 8393368 YIWMRVFAGCVUOI-UHFFFAOYSA-N 311.410 3.503 0 40 DHAB CC(C)(C)OC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl 8699531 LDWRFWMEDWHTMA-LLVKDONJSA-N 306.189 3.552 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(O)c3ccccc23)cc1 8750621 MVZVRUIEGYTUHS-UHFFFAOYSA-N 307.349 3.735 0 40 DHAB COc1cccc2cc(C(=O)Nc3ccc(C(C)=O)cc3)oc12 8960608 YHPXCSKXZXKYSM-UHFFFAOYSA-N 309.321 3.896 0 40 DHAB OCCn1c(-c2cccs2)cs/c1=N\c1ccccc1 9317521 YLNPRXAMUHNQHZ-NXVVXOECSA-N 302.424 3.503 0 40 DHAB CCc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 9322174 NFNQUNCRYQEBDB-HNNXBMFYSA-N 308.425 3.634 0 40 DHAB CCn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccccc1 9607944 AQBSTJJEYRCSPN-CQSZACIVSA-N 301.415 3.569 0 40 DHAB COc1cc(OC)cc(C(=O)NCCC2CCCCCC2)c1 10542464 KKDOEFNFNAHQGF-UHFFFAOYSA-N 305.418 3.794 0 40 DHAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3O)o2)cc1 11679563 NEZLZVOCWQARPV-UHFFFAOYSA-N 322.364 3.927 0 40 DHAB Cc1cc(-c2cnc(NCCc3ccncc3)nc2C(C)C)on1 12089708 JMQXYROWWIYCCK-UHFFFAOYSA-N 323.400 3.613 0 40 DHAB O=C(O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 13166513 CXOMFSIAEPEOCW-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc(C)c1 20137444 DXKHVJYDJUPFHS-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB Cc1cc(Br)ccc1NC(=O)Cc1c(C)noc1C 20815204 LKOAZWCULYRTEN-UHFFFAOYSA-N 323.190 3.544 0 40 DHAB c1ccc(CN2CC[C@H](NCc3c[nH]c4ccccc34)C2)cc1 22777626 QPMHVFROEIFKCB-SFHVURJKSA-N 305.425 3.532 0 40 DHAB COc1ccc(CC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 23151896 PDNFYJZOQPMUPG-IBGZPJMESA-N 309.409 3.774 0 40 DHAB Cc1cn2nc(NCCOc3ccc4ccccc4c3)sc2n1 26708450 GDZNAEASEVYZTE-UHFFFAOYSA-N 324.409 3.743 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)CCc1ccccc1F 32571372 XBFILJZITFDGIM-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1 32827506 ZVOZCGSOKIYBHV-CQSZACIVSA-N 307.397 3.763 0 40 DHAB O=C(CCC(=O)c1ccccc1)Nc1ccc(-c2cc[nH]n2)cc1 38489952 ODLBDHKHPMEBAS-UHFFFAOYSA-N 319.364 3.678 0 40 DHAB CCCCCC(=O)Nc1ccc(OCc2nccn2C)cc1 42708408 ZFCIAKHUEQGRFQ-UHFFFAOYSA-N 301.390 3.518 0 40 DHAB Cc1cccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 44140377 HMTMGBVSHNOJNC-HZPDHXFCSA-N 319.518 3.649 0 40 DHAB CCOc1cccc(CNC(=S)Nc2ccc(F)cc2F)c1 44155681 QOKLLPQHUBWCIJ-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB CCN(CC)c1ccc(NC(=O)N2CCc3ccccc3C2)cn1 48174098 QMYFCTBHGARPKQ-UHFFFAOYSA-N 324.428 3.518 0 40 DHAB CCCc1noc([C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)n1 48325775 ZOVQXSIIVQLHCG-SNVBAGLBSA-N 315.402 3.661 0 40 DHAB Cc1cccc(-c2noc(CN3CCC[C@H]3c3ccc[nH]3)n2)c1 58341254 CFMVLOPCRXCFIY-INIZCTEOSA-N 308.385 3.710 0 40 DHAB COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cs1 58606826 YZUTYCSOBFXPCB-UHFFFAOYSA-N 316.426 3.881 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214352 RAQRUUFGSGALCL-CQSZACIVSA-N 319.405 3.502 0 40 DHAB CC(C)(C)OC(=O)NCc1ccc(NCc2ccccc2)nc1 72225342 JTJYFUCHPHJRDZ-UHFFFAOYSA-N 313.401 3.718 0 40 DHAB C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CC[C@@H]2CCCO2)C1 78933559 QLNAOJXDGHHHHO-JKIFEVAISA-N 305.393 3.694 0 40 DHAB CC(=O)N(C)[C@H](c1cccnc1)c1ccc(Cl)cc1Cl 95396933 XFNNDPRNYCREIB-OAHLLOKOSA-N 309.196 3.956 0 40 DHAB Cc1c([C@@H](C)NCCc2ccccn2)cnn1-c1ccc(F)cc1 95419169 YDQHERKJRIYOAH-CQSZACIVSA-N 324.403 3.608 0 40 DHAB COc1ccccc1CC1CCN(Cc2ccc(O)cc2)CC1 95467797 ZRBMISVZTWVGRG-UHFFFAOYSA-N 311.425 3.856 0 40 DHAB Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1Cl 95535241 AGMLDPOBKDEMIB-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CO[C@H](CNC(=O)c1ccc(Cl)s1)c1ccsc1 96097380 BPIQIARYPAVTKS-SECBINFHSA-N 301.820 3.581 0 40 DHAB CCN(C(=O)c1csnc1C)[C@H](c1cccnc1)C(C)C 97237493 ZGVMCUBDOOAIKN-HNNXBMFYSA-N 303.431 3.706 0 40 DHAB CS[C@@H]1CCC[C@@H](N[C@H](Cc2ccncc2)C(F)(F)F)C1 108115495 LRSNBORFYNYHHL-MGPQQGTHSA-N 318.408 3.819 0 40 DHAB CC[C@H](C(=O)NC[C@@H](OC)c1cccc(F)c1)c1ccccc1 208000338 ORBOWHDLKYDHEZ-ZWKOTPCHSA-N 315.388 3.823 0 40 DHAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1F 408530696 QMQHESAUSWVPEK-UHFFFAOYSA-N 312.275 3.641 0 40 DHAB O=C(NCC1(Cc2ccccc2)CCC1)c1c[nH]c2ncccc12 532078516 ACMDCRZPWGFHGR-UHFFFAOYSA-N 319.408 3.706 0 40 DHAB O=C(NCc1cccs1)N1CCC(Oc2ccsc2)CC1 575618291 GNIKBWRWZNMEFM-UHFFFAOYSA-N 322.455 3.563 0 40 DHAB Clc1cnc(OC2CCN(CC3CCCCC3)CC2)nc1 1888843344 BRWAGMIQYYUNNQ-UHFFFAOYSA-N 309.841 3.554 0 40 DHAB CCC[C@@H](NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1 549317 UIZUORHLXDRESL-MRXNPFEDSA-N 311.360 3.973 0 40 DHAB O=S(=O)(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 1595685 LZUZNLKBDZYINO-SJORKVTESA-N 315.438 3.691 0 40 DHAB COc1ccc2[nH]c(SCCOc3ccc(F)cc3)nc2c1 2171362 PPPVGUXFIZAMJH-UHFFFAOYSA-N 318.373 3.882 0 40 DHAB C[C@H]1CC(=O)c2sc(NC(=O)/C=C/c3ccccc3)nc2C1 2562055 BECDVWHGKFPJNO-WSKFYRRCSA-N 312.394 3.560 0 40 DHAB CCCC(=O)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl 2702038 VZJWACOWBNKNJK-NSHDSACASA-N 310.608 3.678 0 40 DHAB O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 3445819 LTHZEHAKKYOLNA-VAWYXSNFSA-N 304.349 3.696 0 40 DHAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)C(=O)c1c[nH]c2ccccc12 4277156 STGUCNRVLTUQJT-GCKAQTDUSA-N 324.424 3.682 0 40 DHAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2CC(C)C 4886568 FVUAYRMFYZPYOW-AYHJJNSGSA-N 314.473 3.766 0 40 DHAB CCCNC(=S)N1CCC(c2nc3ccccc3s2)CC1 4966550 BIRHLXRULXSNRN-UHFFFAOYSA-N 319.499 3.760 0 40 DHAB C[C@@]1(O)[C@@H]2CCCCCC2=NN1c1nc2ccccc2s1 5274865 JLSCKUNGRJCNBY-BDJLRTHQSA-N 301.415 3.761 0 40 DHAB COc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc1 5681091 NNJIDBRDCZLKTQ-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB c1ccc2c(c1)CCN(c1ncnc3c1[nH]c1ccccc13)C2 6504001 LSBGYWOQKNFBPD-UHFFFAOYSA-N 300.365 3.674 0 40 DHAB biogenic Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)cc1F 6626829 ISCFTWOODPZFTC-UHFFFAOYSA-N 300.308 3.867 0 40 DHAB C[C@H](c1ccccc1)N(C(=O)N(C)C)[C@H]1CCOC(C)(C)C1 6662149 AKINERRJXZFIDE-ZBFHGGJFSA-N 304.434 3.689 0 40 DHAB CCc1cccc(C)c1NC(=O)c1ccc(-n2cccn2)cc1 6994849 IGNNQMXCCRPCQV-UHFFFAOYSA-N 305.381 3.995 0 40 DHAB Cn1c(SCc2nnc(-c3ccco3)o2)nc2ccccc21 8395668 SKMNKHFMUBQABO-UHFFFAOYSA-N 312.354 3.509 0 40 DHAB Cc1cc(OC[C@H](O)CSc2ccccn2)ccc1Cl 11692558 UJBKQXXBYNBJSZ-LBPRGKRZSA-N 309.818 3.575 0 40 DHAB COc1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 11916486 YFKDBPLFESVRIE-UHFFFAOYSA-N 300.339 3.664 0 40 DHAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)cn1 12540996 BESNHSCGYRVUKP-ZDUSSCGKSA-N 313.401 3.653 0 40 DHAB Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)Oc3ccccc3)ccc12 12881429 JSXXGLCXYDEDSH-CYBMUJFWSA-N 323.348 3.507 0 40 DHAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)N(C)c1ccccc1 12976518 AOQDLKNMCLIZBV-GFCCVEGCSA-N 315.394 3.528 0 40 DHAB CCCCCc1ccc(NC(=O)Cn2c(C)csc2=O)cc1 12993263 PANZMIVHMWBJJQ-UHFFFAOYSA-N 318.442 3.590 0 40 DHAB COc1ccc(NC(=S)N2[C@@H](C)CCC[C@@H]2C)cc1OC 13826806 BWMXTGDHNJAMJD-RYUDHWBXSA-N 308.447 3.664 0 40 DHAB COc1ccc(NC(=S)Nc2cc(F)ccc2C)c(OC)c1 13840397 YUPSXQNVZDWBKT-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CSc1ncccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 14234048 DDLCKTULHKVCGG-JTQLQIEISA-N 306.818 3.948 0 40 DHAB COc1ccccc1/C=C/C(=O)Nc1ccc(N2CCCC2)cc1 14910591 JOUMEDRDCVVSET-MDWZMJQESA-N 322.408 3.947 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1c(F)cccc1Cl 15967008 PHJQZNGZKBVCKI-SNVBAGLBSA-N 307.752 3.979 0 40 DHAB CC(C)Sc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 15973601 WYSRKRWADUMSTB-SNVBAGLBSA-N 315.439 3.792 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(C)=O)c1 19931391 CASDBOQWGSWSOG-KRWDZBQOSA-N 315.344 3.824 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2)c1 20447808 MCUHXKALXZSNNU-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 22009625 VFZYABPSWLRPHX-UHFFFAOYSA-N 319.364 3.840 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(NC2CC2)n1 24655657 UYSINFAYCOWDNS-UHFFFAOYSA-N 305.403 3.506 0 40 DHAB Cc1cccc(C)c1NC(=O)C[C@@H](C(=O)O)c1ccc(F)cc1 24837099 ZVODVXPEDOPOOL-OAHLLOKOSA-N 315.344 3.640 0 40 DHAB C[C@@H]1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CC/C(=C\CO)CO 31157445 NNDLUXBYTPAACV-OYJUXVGMSA-N 324.505 3.671 0 40 DHAB biogenic,in-vitro CC(C)COc1cccc([C@@H]2CC(O)=Nc3nc(N)sc32)c1 32093890 KGVCKNLWEBIEKV-LBPRGKRZSA-N 317.414 3.884 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](SC1=NN[C@H]3CCCC[C@H]13)C2=O 35193430 XJRJIPQHVKZMKW-WIRXBISLSA-N 306.475 3.589 0 40 DHAB COc1ccc2c(c1)[C@@H](C)N1C(=O)c3cc(Cl)ccc3[C@@H]1O2 35324782 KDBATVNHYJHSPM-XLFHBGCDSA-N 315.756 3.957 0 40 DHAB CCCN1CCCc2cc(CCNC(=O)C3CCCC3)ccc21 35588076 COWZYDCYNYOPGN-UHFFFAOYSA-N 314.473 3.698 0 40 DHAB CN(CCOc1ccccc1)C(=O)/C=C/c1cc2ccccc2o1 37133076 UQYVNMJNSLRLQM-VAWYXSNFSA-N 321.376 3.983 0 40 DHAB CC(C)(C)c1cc(Br)ccc1OC1CCNCC1 42774660 FJXXKVZOHBRYKF-UHFFFAOYSA-N 312.251 3.877 0 40 DHAB COc1ncccc1NC(=O)N1CCC[C@H]1c1ccsc1 48276689 XTMJHEKSXFMNFE-ZDUSSCGKSA-N 303.387 3.521 0 40 DHAB CCCCN(C)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C 48326438 MJAUAZIKEUYOHP-UHFFFAOYSA-N 303.406 3.607 0 40 DHAB O=C(/C=C/c1cscn1)N[C@@H]1CCc2cc(Cl)ccc21 50343315 URVHSZKSJPLPEL-BOTMBNHJSA-N 304.802 3.613 0 40 DHAB Cc1occc1C(=O)N1CCC(Nc2ccccc2Cl)CC1 58333136 USVYZVDCWFGSMZ-UHFFFAOYSA-N 318.804 3.958 0 40 DHAB Cc1cc(-c2csc(NC(=O)[C@H](C)OCC3CC3)n2)c(C)o1 58438915 UTAPMAVKTLPYTA-NSHDSACASA-N 320.414 3.774 0 40 DHAB CC(=O)Nc1cc(C(=O)N2CCC[C@H]2CC(C)(C)C)ccc1F 61526212 TXGDBSSXKWZTFN-AWEZNQCLSA-N 320.408 3.825 0 40 DHAB COc1ccc(N(C(=O)c2cnc(C)s2)[C@@H](C)C2CC2)cc1 65551632 YJWDGSXNQMWDNW-NSHDSACASA-N 316.426 3.905 0 40 DHAB O=C(c1occc1-c1ccccc1)N1CCC[C@@H](n2cccn2)C1 65609532 KLZDNWJQFRXNGW-MRXNPFEDSA-N 321.380 3.620 0 40 DHAB O=C(Nc1nc(-c2ccccc2)ns1)NC1CCCCC1 65752389 XYVFOFCZCFEIRM-UHFFFAOYSA-N 302.403 3.659 0 40 DHAB CCN(C(=O)Nc1nc(C)c(C)o1)[C@@H](C)c1cccc(O)c1 65819005 AIIGITWIDSMHRW-NSHDSACASA-N 303.362 3.612 0 40 DHAB O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccccn1 69738662 ULYDKOOLTLQCFK-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB C[C@@H](NC(=O)NCc1ccncc1)c1csc2ccccc12 72268169 ZSMHRDGSVALGKQ-GFCCVEGCSA-N 311.410 3.857 0 40 DHAB Fc1cccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3)n2)c1 72355496 BZYKBGZWFIIRAX-GOSISDBHSA-N 322.387 3.744 0 40 DHAB CC(C)c1cnc(CN2CCC[C@@H]2c2noc(C(C)C)n2)o1 75611480 NQFYVZMLTMTHOI-GFCCVEGCSA-N 304.394 3.642 0 40 DHAB CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2)cc1)C1CC1 76774852 OMCATMVTVVTTPX-UHFFFAOYSA-N 323.396 3.842 0 40 DHAB O=C(CC[C@@H]1CCCO1)Nc1ccc2nc(C3CC3)oc2c1 79025318 MCECPSCKQJQMPP-ZDUSSCGKSA-N 300.358 3.603 0 40 DHAB C/C(=C/c1cc(F)ccc1F)c1nc2sccc2c(=O)[nH]1 89262132 QWAZOGAHRKGXKA-VURMDHGXSA-N 304.321 3.823 0 40 DHAB CC(=O)c1cc(C(=O)O[C@@H](CC(C)C)c2ccccn2)n(C)c1 89821050 RXPTWPHDBXNOCP-KRWDZBQOSA-N 314.385 3.567 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)o1 92662007 SNPFBPXJLNNIRB-FHLIZLRMSA-N 319.445 3.563 0 40 DHAB CNC(=S)N1N=C(c2ccsc2)C[C@@H]1c1cccc(F)c1 95115869 FHRYSRWKZIBCLI-CQSZACIVSA-N 319.430 3.543 0 40 DHAB Cc1ccc(CNc2cc3c(cc2Cl)NC(=O)CO3)cc1C 95350786 PIOCJERHFVYQKH-UHFFFAOYSA-N 316.788 3.900 0 40 DHAB CSc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)o1 95395600 MBANEPOTHZAASF-QGZVFWFLSA-N 324.405 3.916 0 40 DHAB O=C(NCc1ccccc1)c1cccc(NCc2cscn2)c1 95447462 IKJWFTGKUBRGEA-UHFFFAOYSA-N 323.421 3.685 0 40 DHAB COCCc1noc([C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)n1 95962322 VAVQWLPMOLJUMH-RYUDHWBXSA-N 313.184 3.836 0 40 DHAB C[C@@H](NCc1cccc(C(N)=O)c1)c1cc(Cl)cc(Cl)c1 96476492 OXGGJSPHPRKOHD-SNVBAGLBSA-N 323.223 3.943 0 40 DHAB CC(=O)OC[C@]12CO[C@H](c3cccnc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100743061 LANFJOBBEPUSIU-WTWWFLFCSA-N 315.413 3.551 0 40 DHAB biogenic CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 100849280 ZTBMOOKXITVSAM-YKCBXCCJSA-N 309.409 3.805 0 40 DHAB COc1cc(C=O)ccc1OCCCN1[C@H](C)CCC[C@H]1C 217791281 FAIPTXGOFBMLBZ-HUUCEWRRSA-N 305.418 3.540 0 40 DHAB Cc1cc(C)cc(OCC(=O)n2cc(C=O)c3ccccc32)c1 218739216 KOFNFSKQFFGZOW-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB CCCNC(=S)Nc1nc(C)c(Cl)cc1Br 223869798 KIBYEBFTIZDYAM-UHFFFAOYSA-N 322.659 3.502 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 224610068 UWNFPJPXJUZFMG-SJORKVTESA-N 311.425 3.991 0 40 DHAB CC[C@@H](NC(=O)Cc1cccs1)c1ccc(OC)c(OC)c1 225549073 DBGVJWDWLIARIS-CQSZACIVSA-N 319.426 3.575 0 40 DHAB Fc1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225855193 IIEJTBPBFQIYFZ-UHFFFAOYSA-N 315.417 3.977 0 40 DHAB CC(C)COCc1c(Br)cnn1C1CCCC1 408716947 TUMGBGWABNHEFA-UHFFFAOYSA-N 301.228 3.933 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(OC(F)(F)F)c(F)c1 575360299 CHVBZZBLVJTMTH-UHFFFAOYSA-N 322.254 3.640 0 40 DHAB COC(=O)CCCC(=O)c1ccc(Br)cc1Cl 575362163 JUZSHKXOBJEBKI-UHFFFAOYSA-N 319.582 3.629 0 40 DHAB Cc1cc2[nH]cc(C(=O)C(F)(F)F)c2cc1Br 725239040 BENSEZZLWXDDFK-UHFFFAOYSA-N 306.081 3.984 0 40 DHAB CCOC(=O)c1nc(Nc2cc(C)ccc2O)c2ccccc2n1 145915 FPFDJKJYKGWBHL-UHFFFAOYSA-N 323.352 3.564 0 40 DHAB CCC(CC)C(=O)Nc1cccc(NC(=O)C(CC)CC)n1 363873 YWOWPNBKWGSVKX-UHFFFAOYSA-N 305.422 3.831 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2cc(F)cc(F)c2)c1Cl 385531 VAYPCYYPQWSERQ-UHFFFAOYSA-N 313.735 3.557 0 40 DHAB COc1cccc2cc(/C=C3\C(=O)N(C)c4ccccc43)oc12 3344568 SYXGSUQXZDOLIT-PTNGSMBKSA-N 305.333 3.958 0 40 DHAB Cc1csc(SCC(=O)NCc2ccccc2Cl)n1 3413863 SHJPAYZVCYVECS-UHFFFAOYSA-N 312.847 3.513 0 40 DHAB CC[C@H](C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1 3445081 PXKJYBFMSLIJJQ-KRWDZBQOSA-N 324.424 3.656 0 40 DHAB CC(=O)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 4704053 XLZFAYOWHGKOBI-UHFFFAOYSA-N 316.740 3.582 0 40 DHAB O=C(OCC(=O)c1ccc(Cl)s1)c1cc2ccccc2[nH]1 5532595 AVSOXZKKTAUWIN-UHFFFAOYSA-N 319.769 3.923 0 40 DHAB COc1ccc(F)cc1C(=O)CSc1nc2ccccc2o1 5628647 RKKNEXWOTLOONK-UHFFFAOYSA-N 317.341 3.951 0 40 DHAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 7409003 ZVPCSDXDIBNEDO-UHFFFAOYSA-N 323.801 3.652 0 40 DHAB CCSc1nnc(NC(=O)C2(c3ccccc3)CCC2)s1 8114174 QUWINEQRSAQINR-UHFFFAOYSA-N 319.455 3.711 0 40 DHAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2cccs2)cc1 8320400 CWUDKBXWQQZFEA-OAHLLOKOSA-N 300.427 3.832 0 40 DHAB CC(C)OC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1 8560880 IREUAFJIXJPHJB-UHFFFAOYSA-N 318.760 3.553 0 40 DHAB COc1ccccc1CCC(=O)NC12CC3CC(CC(C3)C1)C2 9613655 OBORAVCZLJAUMH-UHFFFAOYSA-N 313.441 3.713 0 40 DHAB CC(C)(C)NC(=O)CSc1nccn1-c1cccc(Cl)c1 10875521 DECMTFSLJMRVOR-UHFFFAOYSA-N 323.849 3.533 0 40 DHAB COCc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 11193678 GKRMEEVJAFYRDH-UHFFFAOYSA-N 309.409 3.685 0 40 DHAB O=c1[nH]c2ccc(-c3csc(Nc4ccccc4)n3)cc2o1 12549770 UYELJFWPFDXMCD-UHFFFAOYSA-N 309.350 3.988 0 40 DHAB CC[C@@H](C(=O)NCCn1c(C)nc2ccccc21)c1ccccc1 12741796 FNGILOUDKWIUPR-QGZVFWFLSA-N 321.424 3.655 0 40 DHAB C[C@@H](NC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 12748065 CQIMVGLZRRVUDV-GFCCVEGCSA-N 316.351 3.794 0 40 DHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C)c(C)c1 12781191 KMIWGMGIDXCOJE-UHFFFAOYSA-N 311.381 3.694 0 40 DHAB CCCc1cc(O)nc(S[C@@H](C)C(=O)c2ccc(C)cc2)n1 14092669 UWUBSIUMQJGYOK-LBPRGKRZSA-N 316.426 3.807 0 40 DHAB CNCCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15424027 QUADOSXTLLXKMT-UHFFFAOYSA-N 300.368 3.527 0 40 DHAB COc1ccccc1[C@@H](C)NC(=S)Nc1ccc(F)cc1 16317349 WMKSCSOHWDOXLJ-LLVKDONJSA-N 304.390 3.882 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc3ncccc13)C2=O 18191952 MQTAOQNEJFBTMA-ORAYPTAESA-N 308.381 3.551 0 40 DHAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccccc2)cc1C 22540283 MHJFNUBUEMDRLY-HNNXBMFYSA-N 303.427 3.651 0 40 DHAB CC1CCC(N(C)C(=O)c2cnc3onc(C(C)C)c3c2)CC1 25628496 IOJCGLRGPIPYRB-UHFFFAOYSA-N 315.417 3.997 0 40 DHAB COc1ccc2nc(C)c(C(=O)NC3CCC(C)CC3)cc2c1 25802319 YDDJHQURWQJGQV-UHFFFAOYSA-N 312.413 3.860 0 40 DHAB O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1 33373966 VJEAKZGTUQXYMP-TWGQIWQCSA-N 302.717 3.900 0 40 DHAB C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1 35047783 NMZGDAGBEYLRLH-SNVBAGLBSA-N 323.223 3.943 0 40 DHAB C[C@H](CNC(=O)[C@H](C)n1cnc2ccccc21)c1ccccc1 36260054 BDITURCYQDLMME-CABCVRRESA-N 307.397 3.517 0 40 DHAB O=C(Nc1ccccc1Cn1cccn1)N1CCCCCCC1 44270454 UJDVTDMRCLUGMM-UHFFFAOYSA-N 312.417 3.729 0 40 DHAB CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1cccc(C)c1 48326540 IBOBGBNMCGIYMT-RTBURBONSA-N 314.473 3.923 0 40 DHAB CCc1ccsc1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 59983828 WHGLHZKRUATWFI-CYBMUJFWSA-N 308.491 3.551 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(-c2nc(C)no2)cc1 64580039 XOSTUZQOARKYMW-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB Fc1ccc(Br)c(CSc2nncs2)c1 69628925 YLRAGUVLEAGUAY-UHFFFAOYSA-N 305.197 3.732 0 40 DHAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCCCC[C@@H]1c1ccncc1 71835001 HGUZONOSXCKJFL-BRWVUGGUSA-N 310.397 3.922 0 40 DHAB CCSc1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72217165 NBQGKLAGEOPGII-UHFFFAOYSA-N 324.446 3.681 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccco3)C2)sc1C 72297454 SNEIFFZEVOHASR-CQSZACIVSA-N 318.442 3.692 0 40 DHAB CCOc1ccccc1NC(=O)N[C@](C)(CO)C1CCCCC1 75094185 IXPSATKJRQMRKC-GOSISDBHSA-N 320.433 3.538 0 40 DHAB O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1ccc(O)cc1 78720226 RZPVCTUCUKAYSV-INIZCTEOSA-N 300.333 3.900 0 40 DHAB COCCN(Cc1ccoc1)C(=O)Nc1ccc(C)c(C)c1 85474487 OBQIDOLXFBSQDY-UHFFFAOYSA-N 302.374 3.577 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(F)cc2)C1 89212716 FIZMISDRFODYSK-CYBMUJFWSA-N 308.397 3.885 0 40 DHAB CC(C)(C)c1csc(COc2ccccc2-c2nc[nH]n2)n1 89725243 JWQMWXOGGODEOB-UHFFFAOYSA-N 314.414 3.805 0 40 DHAB c1cc(CN[C@@H]2CCSc3ccccc32)cc(-c2nnc[nH]2)c1 89730873 BXAZTNFUQIWDLW-MRXNPFEDSA-N 322.437 3.798 0 40 DHAB O[C@@H](C[C@H]1CCCCCN1Cc1cccnc1)c1ccco1 95413239 XCEGMYDVNHNARH-SJORKVTESA-N 300.402 3.543 0 40 DHAB CCOC(=O)[C@@H]1CCCc2sc(-c3cccc(F)c3)nc21 96003826 RLBFLUXTHVNILX-GFCCVEGCSA-N 305.374 3.932 0 40 DHAB CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1C 96105189 ZGMFFEZONIXYIC-HNNXBMFYSA-N 320.339 3.782 0 40 DHAB CNC(=O)c1cccc(CN[C@H](CC(C)C)c2cccs2)c1 96476718 NXMRMTIACGTHAT-MRXNPFEDSA-N 316.470 3.985 0 40 DHAB Cc1nnc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 96493205 OQMVPTATLXXRSO-AWEZNQCLSA-N 311.307 3.638 0 40 DHAB Cc1cc(C)nc(NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)c1 97378767 HWKABBDDEIRZQJ-CQSZACIVSA-N 316.430 3.736 0 40 DHAB Oc1ccccc1C1=C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 100895249 PNONEWLNUGNEDF-HNNXBMFYSA-N 324.771 3.693 0 40 DHAB C[C@H](c1ccccc1)N(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 105870444 YWJIWBAFVQFGHK-ZIAGYGMSSA-N 307.397 3.677 0 40 DHAB COc1cc(C2(C(=O)Nc3nccs3)CCCC2)ccc1C 108149008 KEYBPRNFOLNGRF-UHFFFAOYSA-N 316.426 3.911 0 40 DHAB CCN(CC)C(=O)Cc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 108157396 MHYRJMPYMMEURK-XYJFISCASA-N 300.446 3.698 0 40 DHAB O=Cc1cc(C=O)c2ccc3c(C=O)cc(C=O)c4ccc1c2c43 148974825 YFFCWJQSJYNSGG-UHFFFAOYSA-N 314.296 3.834 0 40 DHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccccc1OC 224599870 HOXOUCUKBXAZHP-LSDHHAIUSA-N 307.434 3.795 0 40 DHAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COC(C)C 224719332 SXGOEAUHTPVGQD-UHFFFAOYSA-N 319.445 3.882 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(C)cc2C)cc1 224764711 PZEIXHNEYOXYTQ-QGZVFWFLSA-N 311.425 3.738 0 40 DHAB CCOc1cc(CNC[C@@H]2CCCO2)ccc1O[C@@H](C)CC 225158157 XZPVYASBZRPMPA-HOCLYGCPSA-N 307.434 3.531 0 40 DHAB CCOc1c(C)cc(NC(=O)C2(OC)CCCCC2)cc1C 225629501 SBKLPNSDAWQQQF-UHFFFAOYSA-N 305.418 3.990 0 40 DHAB CCn1c(-c2ccccc2)cc2cc(S(=O)(=O)O)ccc21 255188735 LFQAHDMTCXFLEL-UHFFFAOYSA-N 301.367 3.575 0 40 DHAB c1ccc(C(c2ccccc2)N2CCC3(CC2)OCCO3)cc1 283700479 YFEMAQPNTJNBJJ-UHFFFAOYSA-N 309.409 3.615 0 40 DHAB CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 408713363 VKDOQCYQKRYSLJ-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB CCc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3C)CCN2)cc1 505517986 YINZXSGRBDTYGX-FQEVSTJZSA-N 322.452 3.653 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)Cc2ccccc2C(=O)O)s1 573690432 XPZXVGBHTIBSQK-NSHDSACASA-N 304.415 3.651 0 40 DHAB CCc1nc(-c2ccc(OC)cc2OC(C)C)ccc1C(=O)O 585264889 ATZGILFEZMVYFF-UHFFFAOYSA-N 315.369 3.805 0 40 DHAB Cc1cccc(O[C@@H]2CCC[C@H](NC3CCCCC3)[C@H]2O)c1 585288448 AUGIHMZXTNTSFN-IPMKNSEASA-N 303.446 3.578 0 40 DHAB c1ccc2c(N3CCC[C@H](COc4ccncc4)C3)ccnc2c1 1888890527 AFPPKLIXUCVRQK-INIZCTEOSA-N 319.408 3.925 0 40 DHAB Cc1ccc([C@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 222167 CULKHJRCHPFENE-IAGOWNOFSA-N 308.360 3.872 0 40 DHAB COc1ccc(C=O)cc1COc1cccc(Br)c1 373414 CGMXBLWHOPUGIT-UHFFFAOYSA-N 321.170 3.849 0 40 DHAB CCSc1nc(N)c2c3c(sc2n1)CSC(C)(C)C3 549713 FVAOUHZIMIIITN-UHFFFAOYSA-N 311.501 3.953 0 40 DHAB CC(C)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 2460940 WEIAJSSTMHJTLE-UHFFFAOYSA-N 315.461 3.787 0 40 DHAB Cc1ccc(-c2ccc(OC(=O)c3ccc(=O)[nH]c3)c(C)c2)cc1 3296923 JCKNEFGXEIEZAD-UHFFFAOYSA-N 319.360 3.878 0 40 DHAB Cc1noc(C)c1COC(=O)C1(c2cccc(F)c2)CCCC1 3307991 KNMARKMVNSLDFB-UHFFFAOYSA-N 317.360 3.986 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 3552745 RGTWKZNATALNET-UHFFFAOYSA-N 301.415 3.965 0 40 DHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 3563849 SUCSMTLAWOQLME-UHFFFAOYSA-N 317.772 3.869 0 40 DHAB O=C(Nc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1Cl 4107333 NCUWMMRMGDRZRK-UHFFFAOYSA-N 324.123 3.889 0 40 DHAB Cc1sc(NC(=O)c2ccco2)c(CN2CCCC2)c1C 4276331 OSYNHLITICLANY-UHFFFAOYSA-N 304.415 3.806 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)c1ccc(Br)cc1 4610767 OQZPIIREIILYLV-ZHACJKMWSA-N 323.211 3.894 0 40 DHAB COc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 4699912 KJDIOMHGQJDWQK-UHFFFAOYSA-N 314.772 3.760 0 40 DHAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=S)o1 5685917 YGEHNQHQOLZSLV-NSHDSACASA-N 321.402 3.541 0 40 DHAB Cc1ccc(C(=O)Oc2cc(C)nn2Cc2ccccc2)cc1 5752656 RISWRTHCYLKFLQ-UHFFFAOYSA-N 306.365 3.767 0 40 DHAB COc1cc(NC(=O)NC2CCCCC2)c(OC)cc1Cl 6735468 HKSSFNBYRXPFNV-UHFFFAOYSA-N 312.797 3.811 0 40 DHAB Cc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)C1CC1 7757025 TYQMTXHLCTXEEP-UHFFFAOYSA-N 312.388 3.737 0 40 DHAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(F)cc1 8757314 VMVFELSAQPAWNH-UHFFFAOYSA-N 324.355 3.730 0 40 DHAB Cc1cccc(-c2nc(CC(=O)NCc3ccco3)cs2)c1 8776340 BLLZZXAEQTZUAH-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB CC(C)[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 9058142 HEQYLLSDPDVGEY-GFCCVEGCSA-N 316.426 3.775 0 40 DHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cc1 11715453 NSKOUWHECYBKGW-UHFFFAOYSA-N 300.333 3.673 0 40 DHAB Cc1noc(C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 12544235 ZJZDNQQEGCIVRQ-UHFFFAOYSA-N 313.401 3.924 0 40 DHAB CCOC(=O)c1cccc(NC(=O)c2ccccc2F)c1C 13613789 RTIZJNSSYOJHRM-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB COc1ccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)cc1 13632038 GKFADTSVUFZOBA-UHFFFAOYSA-N 310.397 3.572 0 40 DHAB O=C(CSCc1c[nH]c2ccccc12)NCCc1ccccc1 13957678 XNDOBSSEYYIFRT-UHFFFAOYSA-N 324.449 3.760 0 40 DHAB Cc1ccccc1/C=C1\NC(=O)N(c2cccc(Cl)c2)C1=O 14009845 ORCVPDFFACHRBR-DHDCSXOGSA-N 312.756 3.746 0 40 DHAB COC(=O)c1sccc1NC(=O)c1cc2ccccc2o1 18030148 QICJRSSSLKANLZ-UHFFFAOYSA-N 301.323 3.533 0 40 DHAB COc1cc(C(=O)N[C@H]2CCSc3ccccc32)ccc1C 18134448 QDEMVSAOFIVMBY-HNNXBMFYSA-N 313.422 3.971 0 40 DHAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(C1CCCC1)C3 19519986 JVUWWCPKNFZLIM-UHFFFAOYSA-N 312.369 3.891 0 40 DHAB CCCC1(CCC)NC(=O)N(Cc2ccc(Cl)s2)C1=O 21704572 XGNCKONEOQLVIY-UHFFFAOYSA-N 314.838 3.792 0 40 DHAB CN(Cc1c(F)cccc1Cl)C(=O)c1n[nH]c2ccccc12 21914551 AHJKTSZMMJHHOQ-UHFFFAOYSA-N 317.751 3.628 0 40 DHAB COc1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1F 23791572 UDQTZLMYWREFPL-CSKARUKUSA-N 303.377 3.854 0 40 DHAB Cc1cc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)no1 25136952 VYQPLTMVWZFARB-UHFFFAOYSA-N 321.380 3.681 0 40 DHAB CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 27793091 GRJACNMGYWJFSY-GOSISDBHSA-N 302.462 3.684 0 40 DHAB Cc1cc(Cl)ccc1OC(=O)c1cnc2onc(C)c2c1 32767439 HTZPPIUMWAGZTG-UHFFFAOYSA-N 302.717 3.712 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 33235804 JKRDRRAQQIIMLA-LBPRGKRZSA-N 311.410 3.971 0 40 DHAB C[C@@H]1C[C@@H](OC(=O)/C=C/c2cccc(-c3ccccc3)c2)C(=O)O1 46494574 WDJCWWJRYJVYAC-UVBGIDOTSA-N 322.360 3.614 0 40 DHAB Cc1noc(C)c1COC(=O)c1[nH]c2ccccc2c1Cl 48234470 FJSVKXYPQFATPS-UHFFFAOYSA-N 304.733 3.783 0 40 DHAB Cc1noc(CSc2ncc(C(F)(F)F)cc2Cl)n1 48434079 BXJLCHUWOWAZIK-UHFFFAOYSA-N 309.700 3.738 0 40 DHAB C[C@H](NCc1csc(-c2ncccn2)n1)c1cccc(F)c1 48680791 ZDIQAERQPBYCAV-NSHDSACASA-N 314.389 3.590 0 40 DHAB COc1ccc(CCC(=O)N2CCc3sccc3[C@H]2C)cc1 52568042 AUXIIOANTBYGOK-CYBMUJFWSA-N 315.438 3.835 0 40 DHAB O=C(c1ccccc1)C1CCN(c2ncnc3ccccc23)CC1 54867351 CSLLHXJVZJCNLW-UHFFFAOYSA-N 317.392 3.729 0 40 DHAB C[C@@H](CC[C@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1 58341160 ZXMYTRSBCJPMFG-XJKSGUPXSA-N 321.848 3.836 0 40 DHAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccccc1Cl 59291846 RLZIUSJZBUPFJK-UHFFFAOYSA-N 317.882 3.974 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N(CC(F)(F)F)C1CC1 65476513 QXHCVQVQBTZWSZ-UHFFFAOYSA-N 310.319 3.654 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2ccc(F)c(F)c2)ccc1F 66489369 WREUVWGBCVEHEG-UHFFFAOYSA-N 324.258 3.535 0 40 DHAB C[C@@H](CCNC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccc1 69668328 XILOBYQJJLFRCN-KSSFIOAISA-N 323.392 3.598 0 40 DHAB Clc1ccccc1Cc1nnc2sc(C3CCC3)nn12 71284331 DBLTXEXRHIXENJ-UHFFFAOYSA-N 304.806 3.698 0 40 DHAB Cc1cc(Br)cnc1NC(=O)c1cccc(F)c1 71499004 JUFBUOUZUAMKQJ-UHFFFAOYSA-N 309.138 3.544 0 40 DHAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1 71760598 LGMZQDLEDVSZIX-UHFFFAOYSA-N 317.389 3.901 0 40 DHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1c(C)noc1C 71853516 UHIZAIDJJZQELC-ZANVPECISA-N 322.355 3.941 0 40 DHAB CC[C@H](C)CN(CC)C(=O)CCCc1nc(C(C)(C)C)no1 75093118 SKOKZFHJWQOTPG-ZDUSSCGKSA-N 309.454 3.584 0 40 DHAB NC(=O)c1cccc(CNCc2cccc(-c3ccccc3)c2)c1 77325824 BLSLJZZMTDRHLZ-UHFFFAOYSA-N 316.404 3.742 0 40 DHAB CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 79030768 ZUCCFQYHVLRASO-UHFFFAOYSA-N 311.809 3.559 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(F)c2)C1 89212714 MUGCMPJEJWUVKH-ZDUSSCGKSA-N 308.397 3.885 0 40 DHAB C[C@@H](Cc1ccsc1)NCc1nc(C(F)(F)F)cs1 95423001 JHRXELVACVQMQC-QMMMGPOBSA-N 306.378 3.944 0 40 DHAB COc1ccc(CN[C@@H](C)c2c(Cl)nc3sccn23)cc1 95427010 NXMKKFOSXQBLEJ-JTQLQIEISA-N 321.833 3.909 0 40 DHAB COc1ccc2cccc(CC(=O)N(C)c3ncccc3F)c2c1 95436541 ZNYXNMNSMNIGTP-UHFFFAOYSA-N 324.355 3.588 0 40 DHAB COc1ccc(F)cc1C(=O)c1c(F)c(F)c(F)c(F)c1F 95916934 WKTAOIQPLGDABN-UHFFFAOYSA-N 320.188 3.761 0 40 DHAB COC[C@@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C1 96417974 DKJHFMQRSFBLFG-CQSZACIVSA-N 318.417 3.508 0 40 DHAB CCc1nnc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)n1C 97000415 KXFRILRIIAGAPZ-SECBINFHSA-N 313.232 3.535 0 40 DHAB C[C@H](NC(=O)CCCOc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 108924829 WLHLXJWNOQGCPP-NBOOPKSLSA-N 301.430 3.787 0 40 DHAB CCCCOCc1cc(C(=O)N[C@@H](C)CCC)ccc1OC 224442083 FIUYWIRLICYVGO-AWEZNQCLSA-N 307.434 3.930 0 40 DHAB COc1ccc(C)cc1C[C@@H](Oc1cc(C)cc(C)c1)C(=O)O 225117762 WHZSSKHNGJPOMJ-GOSISDBHSA-N 314.381 3.695 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)Cc1ccccc1Cl 225439531 ZKVKYVMTFGTESX-INIZCTEOSA-N 322.880 3.653 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc2ccnn2c1 225574904 JDWGTVNZPPVXOP-UHFFFAOYSA-N 322.155 3.680 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC2)c(Cl)c1 226285154 RJCIVGCUINMCLN-UHFFFAOYSA-N 320.742 3.855 0 40 DHAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCCc1ccco1 257173291 IQZDUEPOFQJQAT-UHFFFAOYSA-N 324.355 3.762 0 40 DHAB CNc1cc([C@@H]2CCCN(C(=O)c3cc(C)cs3)C2)ccn1 257315875 VDBPCRLBJGUTPJ-CQSZACIVSA-N 315.442 3.513 0 40 DHAB Fc1ccc(CN2CCn3c(-c4ccsc4)cnc3C2)cc1 306140120 UKOHGLZHCPDPRU-UHFFFAOYSA-N 313.401 3.767 0 40 DHAB COc1ccc(C(=O)NCc2ccc(-c3ccco3)o2)cc1F 575609027 NFBISBFWVDWONM-UHFFFAOYSA-N 315.300 3.617 0 40 DHAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1C(=O)c1ccccc1 1570009256 ZOUVVSVOSUINDW-OAHLLOKOSA-N 312.756 3.562 0 40 DHAB Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(F)c(F)c1 36325 QHAFUEHVARVWLL-UHFFFAOYSA-N 314.335 3.727 0 40 DHAB Oc1cnnc(SCc2c(Cl)ccc(Cl)c2Cl)n1 111612 FYKBDVILEXFUFT-UHFFFAOYSA-N 322.604 3.830 0 40 DHAB O=C(COc1ccc(Cl)cc1)N1CCCc2ccccc21 296445 DNYYHJMZCGXMTH-UHFFFAOYSA-N 301.773 3.698 0 40 DHAB C=CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1 338365 PGUZPBCGTWLMEW-UHFFFAOYSA-N 304.393 3.925 0 40 DHAB biogenic,in-vitro CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 363542 YQGQUEWHCPZDSB-UHFFFAOYSA-N 320.226 3.819 0 40 DHAB O=C(NCc1ccccc1)c1cccnc1Nc1ccc(F)cc1 1340614 LMAIBKNDKYQUFB-UHFFFAOYSA-N 321.355 3.894 0 40 DHAB Cc1ccc(OCCCC(=O)Nc2nc(C)cs2)c(C)c1 1914062 QOWSMPTUSWEYRV-UHFFFAOYSA-N 304.415 3.866 0 40 DHAB Cc1ccc(OCCCn2c(CO)nc3ccccc32)c(C)c1 1926870 VHHJZNGCBRNPCR-UHFFFAOYSA-N 310.397 3.615 0 40 DHAB COCCSc1ccccc1C(=O)N[C@@H](C)c1ccccc1 2153579 IOHUCXQHHLEKAN-AWEZNQCLSA-N 315.438 3.916 0 40 DHAB COc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 2644752 QVJNNYNIDSVNCA-NSHDSACASA-N 305.761 3.755 0 40 DHAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21 3311595 VYTXCPHULMDKCP-UHFFFAOYSA-N 307.393 3.687 0 40 DHAB CCC[C@H](C)NC(=O)CSc1ncnc2sc(C)c(C)c12 3604212 MCAORPINKIGWHJ-VIFPVBQESA-N 323.487 3.705 0 40 DHAB O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCCCC1 4746167 YTTDGPNIVAPBFP-MRXNPFEDSA-N 320.864 3.565 0 40 DHAB Clc1ccc2c(c1)N(C1=NCCN1)c1ccccc1S2 5338557 QHVPSCNYUKIPDS-UHFFFAOYSA-N 301.802 3.902 0 40 DHAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc(F)c1 5441631 AYGONWWMZCVQNJ-UHFFFAOYSA-N 312.344 3.595 0 40 DHAB CCc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 5658348 XXVKTBROOSSZNB-HNNXBMFYSA-N 317.454 3.549 0 40 DHAB Cc1ccc(C)c(NC(=O)C[C@@H](Cc2ccccc2)C(=O)O)c1 5744910 UQQQUOPKAOSXDB-MRXNPFEDSA-N 311.381 3.576 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nccn1C 6369925 FYODCKYDVJXDAW-ZDUSSCGKSA-N 317.458 3.971 0 40 DHAB CN(C(=O)CSc1cnc2ccccc2n1)C1CCCCC1 6490394 SCQUGVRFFLOWHR-UHFFFAOYSA-N 315.442 3.513 0 40 DHAB Oc1cccc2c1[C@@H](O)CCC21Oc2cccc3cccc(c23)O1 6567653 VPWWOWTXVIXWBW-HNNXBMFYSA-N 320.344 3.997 0 40 DHAB biogenic,in-vitro CN1c2ccccc2C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 6831191 UNWDUXZVYCHCKM-AWEZNQCLSA-N 306.287 3.584 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)cc1 7433527 NXFOYBHBFRETBQ-CYBMUJFWSA-N 308.337 3.695 0 40 DHAB CN(Cc1ccccc1)C(=O)c1ccc(N2CCCCC2)cc1 7505023 XOUNPNBVEZDRIW-UHFFFAOYSA-N 308.425 3.949 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(F)cc2)cc1 7828351 OHKCZNPXAYFVBY-UHFFFAOYSA-N 314.404 3.598 0 40 DHAB c1nc(Nc2ccc3cn[nH]c3c2)c2c3c(sc2n1)CCC3 8150734 NVSKAMMFJNNAFB-UHFFFAOYSA-N 307.382 3.800 0 40 DHAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)C(C)(C)C)c1 9064121 HQOOHDRSOYPUDG-SNVBAGLBSA-N 308.447 3.765 0 40 DHAB COc1ccc(/C=C/C(=O)NCCCc2cccc(C)c2)cc1 10110612 OTTYAZVDKXKIFC-JLHYYAGUSA-N 309.409 3.766 0 40 DHAB COC(=O)/C(=C\c1ccc(C)cc1)c1cc(=O)c2ccccc2[nH]1 11906975 PYFIRPHLRRRSKC-WJDWOHSUSA-N 319.360 3.550 0 40 DHAB Cc1nn(CN2CCC[C@H]2c2ccccc2)c(=S)n1C1CC1 14139794 YZSDWUXMGVPHGF-INIZCTEOSA-N 314.458 3.852 0 40 DHAB Cc1ccc(C)c(Cn2c([C@H](C)NC=O)nc3ccccc32)c1 15413768 ZJDYITWIGAEZJM-HNNXBMFYSA-N 307.397 3.508 0 40 DHAB CN(C)CCNCc1ccc(OCc2ccc(Cl)cc2)cc1 22075052 XEPJNAVZYYCVAH-UHFFFAOYSA-N 318.848 3.570 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 23530208 HIFOIXBBFZNDJE-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB CN(Cc1nc(O)c2oc3ccccc3c2n1)C1CCCCC1 23695275 ZRZGFVCOEOMCRH-UHFFFAOYSA-N 311.385 3.846 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Sc2ccc(F)c(Cl)c2)no1 24683892 UDCLTWXGPHVRQR-MRVPVSSYSA-N 314.769 3.895 0 40 DHAB O=C(Cc1nc2ccccc2n1C(F)(F)F)c1ccccc1 28527002 NJAHNFMOHRIRPG-UHFFFAOYSA-N 304.271 3.938 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)Nc1nc(C2CC2)cs1 30850719 FHNRXEWRBYTEQK-NSHDSACASA-N 302.399 3.564 0 40 DHAB NC(=O)c1ccccc1OCc1ccc(Cl)c2cccnc12 31645497 HFNGHUAAJVPGSJ-UHFFFAOYSA-N 312.756 3.566 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccccc1 32830217 BOFXGDUUIRXZCH-GFCCVEGCSA-N 310.328 3.972 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)cc1F 32930810 QACGTTMCWLHFII-UHFFFAOYSA-N 323.327 3.969 0 40 DHAB CCOC(=O)c1ccoc1CN1CCC[C@H]1c1ccsc1 46088423 JNMMWMJCBAUWMT-AWEZNQCLSA-N 305.399 3.855 0 40 DHAB O=C(CCC(=O)c1cccs1)NC1(c2ccccc2)CCC1 53472919 XQVCFWQDQJQVJZ-UHFFFAOYSA-N 313.422 3.907 0 40 DHAB CC[C@@H](C)N(C)C(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1 58162658 OFQAWJCHMPWFTQ-WSKFYRRCSA-N 311.809 3.627 0 40 DHAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2Cl)C1 59740456 OPIKHTSHJMPIAB-LBPRGKRZSA-N 322.836 3.563 0 40 DHAB COc1ccc(N(Cc2ccccc2)C(=O)c2ccccn2)cc1 60969057 SPILCQUYOVNISB-UHFFFAOYSA-N 318.376 3.937 0 40 DHAB O=C(NCCc1ccc(O)cc1)Nc1ccccc1C(F)(F)F 64641816 JJKZGKDJGDJXEI-UHFFFAOYSA-N 324.302 3.775 0 40 DHAB Cc1ccc(F)c(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 67801033 LVAVXSQSGLIHAK-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB COc1ccccc1[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1Cl 69620094 OPEZGMCXKJDKSJ-UKRRQHHQSA-N 319.763 3.774 0 40 DHAB Cc1c(C(=O)N2CCC[C@@H](n3ccnc3C)C2)oc2ccccc12 69769207 UIAOUBNETOBSEL-OAHLLOKOSA-N 323.396 3.723 0 40 DHAB C[C@@H](OC(=O)c1cnn(Cc2ccccc2Cl)c1)C1CC1 70018919 WQOLYERZHAEBSI-LLVKDONJSA-N 304.777 3.540 0 40 DHAB Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)cc1 71195239 IQZXPWUGULTBOP-UHFFFAOYSA-N 301.346 3.634 0 40 DHAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C=C3CCCCC3)cc2)n1 71853793 HFCGXQOZHCKLNS-UHFFFAOYSA-N 323.396 3.574 0 40 DHAB Cc1ccc([C@@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 79017339 DNXBAHJVPBKPKD-KRWDZBQOSA-N 319.412 3.702 0 40 DHAB Cc1cnc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cn1 84258518 AOCUZBWBXJXTNC-UHFFFAOYSA-N 317.805 3.516 0 40 DHAB Cc1nnc(CS[C@@H](C)c2ccc(OC(F)F)cc2)n1C 91029759 FDCSSKQWEKAVDS-VIFPVBQESA-N 313.373 3.719 0 40 DHAB C[C@H](NCCCn1cccn1)c1nc(-c2ccccc2)cs1 95419841 STVQSLHDTDDXLL-AWEZNQCLSA-N 312.442 3.748 0 40 DHAB O=C(Nc1cccc(C(F)F)c1)N1CC[C@H](CN2CCCC2)C1 95984759 QGVNHAIOQJXKRM-CYBMUJFWSA-N 323.387 3.574 0 40 DHAB c1ccc(Nc2nc(-c3ccc4nsnc4c3)cs2)nc1 96124473 XZCUQGMBPLNDDN-UHFFFAOYSA-N 311.395 3.953 0 40 DHAB c1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)nc1 96193999 ZZTPKWITAOKTIQ-UHFFFAOYSA-N 319.349 3.661 0 40 DHAB O=C1O[C@H](Nc2nc(-c3ccc(F)cc3)cs2)c2ccc#cc21 140070967 TWOLPFYVGQCEOG-HNNXBMFYSA-N 324.336 3.831 0 40 DHAB CC(C)(C)c1cnc(CCC(=O)NC/C=C/c2ccccc2)o1 193637736 KAGPFHFRTIHADI-JXMROGBWSA-N 312.413 3.734 0 40 DHAB Cc1cc(C(=O)N2CCS[C@@H](c3ccco3)CC2)c(C)o1 207009124 DGEBJFWERBJPRR-OAHLLOKOSA-N 305.399 3.810 0 40 DHAB CCc1ccccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225039653 GAHBWFLSLAMTJZ-MRXNPFEDSA-N 304.773 3.977 0 40 DHAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(F)cc1F 225782728 LWCAIPJOBNIMPU-LLVKDONJSA-N 322.380 3.719 0 40 DHAB CC(=O)N[C@@]1(C)C[C@H](c2cccc(O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257278447 OCIBKVWOADFHGU-FXJWEYNDSA-N 317.429 3.553 0 40 DHAB Cc1nnc(NC(=O)[C@H](c2cccnc2)C2CCCCC2)s1 585141673 WVGGRYKOUVQOPP-AWEZNQCLSA-N 316.430 3.544 0 40 DHAB Oc1cccc(NCCC(F)(F)C(F)(F)Br)c1 1083811788 PIRYFANNJUSECW-UHFFFAOYSA-N 316.092 3.817 0 40 DHAB O=C(OCc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 52889 WPRCHQQUYWUWBB-UHFFFAOYSA-N 306.365 3.863 0 40 DHAB O=C(NC[C@H]1CCCO1)c1c(Cl)ccc(Cl)c1Cl 118365 IUAUFJUKGHMPBV-SSDOTTSWSA-N 308.592 3.556 0 40 DHAB CC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(C2CCCCC2)C1 242217 YOPWMAIAVUXGGQ-QGZVFWFLSA-N 320.820 3.831 0 40 DHAB Cc1ccc(S(=O)(=O)C(=S)SCc2ccccc2)cc1 1574694 PXKCUWIZWQKYHA-UHFFFAOYSA-N 322.476 3.987 0 40 DHAB COc1cc(C2(C)SCCCS2)cc(OC)c1OC 1630484 OBVMGBSOVFSAPT-UHFFFAOYSA-N 300.445 3.755 0 40 DHAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 2402408 QGXQGCZUCZDMRD-QGZVFWFLSA-N 319.360 3.667 0 40 DHAB CCCCCC(=O)Nc1nnc(-c2ccc(OC)cc2)s1 3016511 ZDXCKXKZJPXLOJ-UHFFFAOYSA-N 305.403 3.733 0 40 DHAB O=C(NN1c2ccccc2CCc2ccccc21)c1ccncc1 3136745 ODMUOKALODMRDM-UHFFFAOYSA-N 315.376 3.663 0 40 DHAB biogenic O=C(CC1CCCC1)OCC(=O)c1ccc(OC(F)F)cc1 3240082 GZXMAGCIVONCCR-UHFFFAOYSA-N 312.312 3.594 0 40 DHAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1 3386834 WQGIABISNKKJTK-HNNXBMFYSA-N 310.397 3.902 0 40 DHAB Cc1noc(C)c1COC(=O)c1cc2c(s1)CC[C@H](C)C2 3451307 BNNWTIBVYXDWQE-VIFPVBQESA-N 305.399 3.835 0 40 DHAB Cc1ccc(C)c(Cn2c(C(=O)O)c(C=O)c3ccccc32)c1 4636243 YVVVFQXSOPFZIX-UHFFFAOYSA-N 307.349 3.817 0 40 DHAB CC(C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4696216 KBCNHXIOWILZBY-SNVBAGLBSA-N 304.217 3.923 0 40 DHAB CC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 7718746 NLFBLHQVUIFWML-LBPRGKRZSA-N 317.772 3.949 0 40 DHAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccccc1F 7788424 QMRGOKVHWMLKLJ-UHFFFAOYSA-N 316.351 3.568 0 40 DHAB CCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 7971512 NSIJAPSXLACFHB-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB Cc1ccc(OCC(=O)N[C@H](c2ccccc2)C2CC2)c(C)c1 11214356 XKASBSVNUBTSKP-HXUWFJFHSA-N 309.409 3.950 0 40 DHAB Cc1cccc(N[C@@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1 12112962 GVKVINJELRNYME-CQSZACIVSA-N 316.357 3.772 0 40 DHAB COc1ccc(CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 12613789 YIZYIEQZUHEIMV-UHFFFAOYSA-N 313.397 3.810 0 40 DHAB COc1ccc([C@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1 12688800 MAQWROAWHKSZEC-GOSISDBHSA-N 322.364 3.511 0 40 DHAB CCn1nccc1NC(=O)c1ccccc1Oc1ccccc1 12999740 LYIWMMDWCMYPQM-UHFFFAOYSA-N 307.353 3.948 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 13710319 KSIPBCXCYCHCQT-MRXNPFEDSA-N 309.409 3.656 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1C 13939383 PEJBDZFSFBWAPC-BZNIZROVSA-N 309.475 3.777 0 40 DHAB CCN(CC)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 15267448 FRKOBUXYXBHCLW-UHFFFAOYSA-N 312.369 3.514 0 40 DHAB COc1cccc(-c2ccc(CNC[C@H](O)c3ccccc3)o2)c1 15356868 NGZWKWHCXZBCJL-IBGZPJMESA-N 323.392 3.778 0 40 DHAB Cc1ccc(SCCC(=O)Nc2ccc3c(c2)OCO3)cc1 16018681 ZZAPTKONTPODAT-UHFFFAOYSA-N 315.394 3.845 0 40 DHAB CN(C)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 17064531 OIQOTROAOGFVNO-UHFFFAOYSA-N 322.330 3.701 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCC(C)CC2)c(C)c1 18168925 AATHUTIYLGLDQK-UHFFFAOYSA-N 319.518 3.712 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(C)cc2)c1 20106721 FIACDZSAUAMANC-UHFFFAOYSA-N 317.772 3.616 0 40 DHAB CCN(CC)C[C@@H](CN(CC(C)C)CC(C)C)NCC(C)C 22581235 GNOXJLFBYFFUMU-IBGZPJMESA-N 313.574 3.556 0 40 DHAB CCOC(=O)C1=C(c2ccccc2)CN(Cc2ccccc2)C1 26895063 DMPBQXVVNUARKT-UHFFFAOYSA-N 307.393 3.519 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NC(=O)/C=C/c2cccs2)c1 30278823 YQEMGVVRCAQHKU-BCPZQOPPSA-N 314.410 3.597 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N[C@H](c1ccccc1)C1CC1 31039295 SPKIJNUEAIFVLD-HXUWFJFHSA-N 319.408 3.763 0 40 DHAB O=S(=O)(Nc1ccccc1S)c1ccc2ccccc2c1 31637756 NUNGTLNHWIZGTO-UHFFFAOYSA-N 315.419 3.929 0 40 DHAB C[C@@H](CNCc1ccc(Cl)cc1Cl)Oc1ccccn1 35287331 JCNMXUVOLRRIAV-NSHDSACASA-N 311.212 3.946 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 44103493 REGXXJKSFATHEY-CYBMUJFWSA-N 323.396 3.918 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)c(C)c1 44899767 TYJQPBMFPIOCIJ-INIZCTEOSA-N 317.454 3.792 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)N1CCCC1 47515250 QOKPPVJDQKVEGD-CQSZACIVSA-N 313.401 3.609 0 40 DHAB C[C@@H](NC(=O)Nc1ccc(N2CCCC2)nc1)c1cccs1 48085002 QLQSTWAYPJWSSP-GFCCVEGCSA-N 316.430 3.626 0 40 DHAB Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccncc3)[nH]c2c1 57979547 FJHDARRKMHZMIY-INIZCTEOSA-N 321.384 3.635 0 40 DHAB CSc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2C)cc1 58247438 SIAFHWRMTCDEDW-UHFFFAOYSA-N 323.439 3.532 0 40 DHAB CC(C)(NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 58438797 VFCCQBIJHWHLHC-UHFFFAOYSA-N 316.332 3.611 0 40 DHAB CC(C)Oc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72211896 ZHJZBIFAISQFAC-AWEZNQCLSA-N 306.406 3.941 0 40 DHAB Cc1ccccc1CN(C)C(=O)c1cccnc1SC(F)F 72692413 LEOPANCDIYFDGU-UHFFFAOYSA-N 322.380 3.977 0 40 DHAB CC(C)[C@H](C)N(CC(F)(F)F)C(=O)/C=C/c1cncc(F)c1 74583252 AOPGHHWRXVOUGV-ZWNMCFTASA-N 318.314 3.669 0 40 DHAB C[C@H](CN[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 75572740 RAISYGIMJPZXCH-NQIIRXRSSA-N 308.469 3.697 0 40 DHAB CC1(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)CCCCC1 79097589 QZQMWTLHZHJYIC-UHFFFAOYSA-N 314.429 3.735 0 40 DHAB C[C@](O)(CNC(=O)c1ccccc1-c1ccccc1)c1ccco1 81835266 QXUYHMRFDPEBRS-FQEVSTJZSA-N 321.376 3.584 0 40 DHAB C[C@H](NC[C@@]1(O)CCSC1)c1ccc(SC(F)F)cc1 95423580 NMHVTMVTORETAE-HZMBPMFUSA-N 319.442 3.520 0 40 DHAB CSc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccn1 95452237 CROYRJXMQAMTBO-ZIAGYGMSSA-N 302.374 3.685 0 40 DHAB COC(=O)c1ccc(NC(=O)[C@@H](C)c2cccc(C)c2)s1 95960733 CWORIDOJIOWEQY-NSHDSACASA-N 303.383 3.585 0 40 DHAB CC(C)(C)OC(=O)NC1(c2nc(C3CC3)no2)CCCCC1 98211021 XQXHESZEELBRLH-UHFFFAOYSA-N 307.394 3.631 0 40 DHAB O=C1CCCc2cc(NC(=O)Nc3cccc(F)c3)ccc2N1 171446878 AZOJBALESCTRCR-UHFFFAOYSA-N 313.332 3.745 0 40 DHAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)cc2c1C 193944394 SMEOTJTWHFSEKI-OAHLLOKOSA-N 322.412 3.528 0 40 DHAB NC(=O)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 216795861 RZXDEUIDOOHKEJ-UHFFFAOYSA-N 307.136 3.901 0 40 DHAB Cc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1 222620088 NTVJGHCHCFODAB-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)o2)cc1N 226304159 FVKGFQZCHKMOQQ-STQMWFEESA-N 312.413 3.955 0 40 DHAB CC(C)C(=O)N[C@@H]1C[C@H](c2cccc(F)c2)O[C@@H]2CCC[C@@H]12 257343004 ZQZVWIVCYDFRBB-YLFCFFPRSA-N 305.393 3.597 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)O)c(C(F)(F)F)c1 263619848 FYMDQMINCBZAPK-UHFFFAOYSA-N 305.252 3.751 0 40 DHAB O=C(NCc1cncc(-c2ccco2)c1)c1ccc(Cl)s1 575414507 UTOLORACZKUPIF-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB COc1ccc2[nH]c(CN3CCC[C@@H]3c3ncc(C)[nH]3)cc2c1 1848352259 XSCWXDOKOVFGOF-QGZVFWFLSA-N 310.401 3.545 0 40 DHAB CCOC(=O)CCc1c[nH]c2ccc(C)c(Br)c12 1857793115 MQDFZNGLGMDGFB-UHFFFAOYSA-N 310.191 3.735 0 40 DHAB Fc1ccc(CSc2ncnn2Cc2ccc(F)cc2)cc1 141886 BWSGHZFGZNHNOP-UHFFFAOYSA-N 317.364 3.897 0 40 DHAB Cc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c1 491535 RYBYYARHLMVXEI-UHFFFAOYSA-N 304.802 3.775 0 40 DHAB CCOC(=O)c1csc(Nc2cc(Cl)ccc2OC)n1 1017433 XTIZXVHFRVDMNA-UHFFFAOYSA-N 312.778 3.725 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(NC(=O)C2CCCCC2)nc1 1358110 IRNVLVLFTKDDBH-UHFFFAOYSA-N 303.406 3.585 0 40 DHAB CCN(CC)[C@H](Cc1ccccc1)c1ccc(OCCO)cc1 1668864 NKQCZMPDNOVGMO-HXUWFJFHSA-N 313.441 3.683 0 40 DHAB COc1ccccc1OCC(=O)Nc1ccc(C)cc1Cl 3383439 BJRAYMRITBBJFO-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c2ccccc12 4090550 KUMFBRNUUDDMCI-IBGZPJMESA-N 317.392 3.932 0 40 DHAB biogenic CCOc1ccccc1-c1nn2c(C(C)(C)C)nnc2s1 5015503 GATQYHGWMVEQKE-UHFFFAOYSA-N 302.403 3.549 0 40 DHAB CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 5598715 OWVUZOVZHQHWSH-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB Cc1cccc(C2=NCC(=O)Nc3sc4c(c32)CCCC4)c1 6556962 BVSHJMZEOQFNMC-UHFFFAOYSA-N 310.422 3.725 0 40 DHAB CCc1ccc(NC(=O)[C@H]2CC(c3ccccc3F)=NO2)cc1 6738409 XMTDABXCTFFJRY-QGZVFWFLSA-N 312.344 3.520 0 40 DHAB Cc1cc2oc(C(=O)Nc3ccccc3C)cc(=O)c2cc1C 6811369 IJMQXJVKFCHFHR-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccn2)c1C 7370666 CYWSCNKESAWMIS-GFCCVEGCSA-N 302.399 3.593 0 40 DHAB CCCCc1ccc(NC(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 7522422 GPFPKEWXPMCBCY-ZIAGYGMSSA-N 306.475 3.835 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccccc2)[nH]n1 7775163 PRSMDFMQDLLWPW-UHFFFAOYSA-N 303.365 3.818 0 40 DHAB C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccn1 7980290 IFROPFSXUPGFSY-GFCCVEGCSA-N 300.427 3.903 0 40 DHAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccco2)s1 8766825 RQJHXIUERPEMPR-LBPRGKRZSA-N 313.382 3.925 0 40 DHAB OC1=Nc2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(O)c2)C1 8991326 JWCRJMSVGSXMEY-CQSZACIVSA-N 305.337 3.906 0 40 DHAB Cc1cc(C)c(NC(=S)NC(=O)c2cccc(F)c2)c(C)c1 9064040 ZZBODFUKDSFJRF-UHFFFAOYSA-N 316.401 3.878 0 40 DHAB COc1ccc(CSc2nnc(NC(C)C)s2)cc1F 9313485 KWSJCNZPFCVGHN-UHFFFAOYSA-N 313.423 3.798 0 40 DHAB Cc1cccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)c1 9331430 OOIJIHNGDBQINP-UHFFFAOYSA-N 317.352 3.919 0 40 DHAB CCCCN1C(=O)C(C)=C(C)[C@H]1N[C@H](C)CCc1ccccc1 12353991 XSCSLSHNONYAPT-BEFAXECRSA-N 314.473 3.902 0 40 DHAB C[C@@H]1C[C@@H](C)CN(Cc2nc(-c3cccc(Cl)c3)no2)C1 16335337 RKTAVHHFLGLJFQ-VXGBXAGGSA-N 305.809 3.868 0 40 DHAB O=C(Nc1ccccc1)n1nc(Cl)c2nc3ccccc3nc21 16489741 NJLRQXSEJTUDNG-UHFFFAOYSA-N 323.743 3.713 0 40 DHAB Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 17056825 YXGSNHUYIDLZHK-UHFFFAOYSA-N 324.163 3.615 0 40 DHAB CON(C)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 17793190 QJTRRDZAODELDI-UHFFFAOYSA-N 306.365 3.844 0 40 DHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCc1ccccc1 20457147 ACKYKRNDWNLGMK-GOSISDBHSA-N 311.425 3.820 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(-n2ccnc2)cc1 24050731 NJRQODSGUQMBHW-UHFFFAOYSA-N 303.365 3.613 0 40 DHAB CN(CC(=O)Nc1ccc(O)cc1)Cc1ccc2ccccc2c1 27359658 LUILCZXJRQUAPU-UHFFFAOYSA-N 320.392 3.616 0 40 DHAB COc1ccc(C(C)=O)cc1CN1CCC[C@H]1c1cccn1C 32797321 KYGIBWLVQBLMLF-SFHVURJKSA-N 312.413 3.573 0 40 DHAB CC(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F 32906637 QJBSYZKOQVTAGD-UHFFFAOYSA-N 324.714 3.829 0 40 DHAB COc1ccc(-c2cc(N3CCc4ccccc43)ncn2)cc1 36708967 FYHTVCUKLMVBIT-UHFFFAOYSA-N 303.365 3.846 0 40 DHAB CC(C)(C)OC(=O)NCc1cccc(-c2cccc(CN)c2)c1 40449490 ZJSHRYNHCHUIBJ-UHFFFAOYSA-N 312.413 3.837 0 40 DHAB C[C@H](c1ccccc1F)N(C)C(=O)COc1cccc(F)c1 45191943 WIYHEZMHICDGKX-GFCCVEGCSA-N 305.324 3.563 0 40 DHAB Cc1cc(F)ccc1NC(=O)Cn1cc(C=O)c2ccccc21 51318989 UAIHRERVBRSESW-UHFFFAOYSA-N 310.328 3.540 0 40 DHAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccccn1 55514667 OLECUYCZSRZDBE-MRXNPFEDSA-N 300.789 3.641 0 40 DHAB CCCCC(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 65622198 CADNSQREXVTLIV-AWEZNQCLSA-N 316.357 3.684 0 40 DHAB C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccn1 69559947 QMFKVQDGOPSCJX-JSGCOSHPSA-N 322.330 3.995 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C 72214904 UQCWOTAVSGPSEK-OAHLLOKOSA-N 319.449 3.998 0 40 DHAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1cccs1 74856737 HNDQFFIMBCSPDK-SNVBAGLBSA-N 315.847 3.582 0 40 DHAB Cc1cc(-c2cccc(F)c2)nnc1NCc1cscn1 84116938 DZKVFNICQGMVKP-UHFFFAOYSA-N 300.362 3.660 0 40 DHAB CCN(Cc1ccccn1)C(=O)C1(c2cccc(F)c2)CCC1 84204566 LBLOBPQDTBDRPX-UHFFFAOYSA-N 312.388 3.691 0 40 DHAB Cc1nc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)cs1 84291000 NARBDNNZSXHPIJ-LBPRGKRZSA-N 312.442 3.796 0 40 DHAB CCN1CCC(n2nccc2NCc2ccc(Cl)cc2)CC1 89977202 QOFJLPPQJGAVCB-UHFFFAOYSA-N 318.852 3.805 0 40 DHAB O=C(Nc1cc(F)cc(Cl)c1)N1CCC(n2cccn2)CC1 95418830 XRBSDYKDXYVMTC-UHFFFAOYSA-N 322.771 3.545 0 40 DHAB COc1ccc([C@@H](C)NCc2cccc(Cn3cccn3)c2)cc1 95420670 UYZDLQLXRPTSJH-MRXNPFEDSA-N 321.424 3.791 0 40 DHAB Cc1cccc(CN(c2ccccc2F)S(=O)(=O)C(C)C)c1 95444396 LITWLCRERBCTPF-UHFFFAOYSA-N 321.417 3.879 0 40 DHAB Cc1ccc(CNc2ccc(NC(=O)CCCO)c(C)c2)s1 95465967 DGKWDROKFXYXPB-UHFFFAOYSA-N 318.442 3.688 0 40 DHAB CCOC(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F 95634613 HLBAPVRZTPSYLL-UHFFFAOYSA-N 300.198 3.830 0 40 DHAB C[C@@H](NC[C@](C)(O)c1cccs1)c1cnc2ccsc2c1 95968308 LUBMEQVMYMOYGR-BZNIZROVSA-N 318.467 3.916 0 40 DHAB CCC1(CO)CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 95978946 PWOGWUNVHJTDAO-UHFFFAOYSA-N 317.473 3.799 0 40 DHAB CC(C)(Cc1ccccc1)NC(=O)COc1ccccc1Cl 96761816 VREKDXPFJPIGDJ-UHFFFAOYSA-N 317.816 3.856 0 40 DHAB Cn1nccc1CNc1cc(NC(=O)OC(C)(C)C)ccc1F 97236954 WAQJEHUJYNYUIM-UHFFFAOYSA-N 320.368 3.518 0 40 DHAB O=C(CC(=O)c1cccc(Br)c1)c1ccccc1 101786546 FCRMMLQWCOHDJC-UHFFFAOYSA-N 303.155 3.905 0 40 DHAB CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCC 222754996 SXIMJCNAPNPLAX-MRXNPFEDSA-N 318.461 3.510 0 40 DHAB CCOc1cccc(NC(=O)c2ccc(OC)c(Cl)c2)c1 223664798 VZULRQVELKVSFG-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB COc1ccc(CC(=O)NCc2ccc(Cl)cc2)cc1C 224060540 LSBAMOUCNGAZHP-UHFFFAOYSA-N 303.789 3.516 0 40 DHAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc(F)c2)cc1 224958967 XAMCHHQYJKZDIS-UHFFFAOYSA-N 315.388 3.932 0 40 DHAB Cc1ccccc1OCCNC(=O)Cc1ccc(Cl)cc1F 225130230 GBEOTQOBYSDOCG-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB Cc1nc2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2n1C 225893480 UONQPWIVGCVTGE-LLVKDONJSA-N 311.360 3.512 0 40 DHAB CCc1ccc(CNC(=S)c2ccc(OC)cc2OC)cc1 408574953 NEWXUDICBMPIEK-UHFFFAOYSA-N 315.438 3.732 0 40 DHAB CCOC(=O)N[C@@H](CC(=O)Nc1ccccc1)c1ccccc1 408981614 VYXVXBKYBMCQQT-INIZCTEOSA-N 312.369 3.503 0 40 DHAB CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)c(OCC)c1 409114155 CTGXJRONUKIBBI-WJDWOHSUSA-N 309.365 3.977 0 40 DHAB CC1CCN([C@H](C(=O)O)c2ccc(Cl)cc2Cl)CC1 568872258 OBIYFNZCYZNGRZ-ZDUSSCGKSA-N 302.201 3.851 0 40 DHAB O=C(CCSc1ccccc1)N1CCC2(CC1)CC2(F)F 650599797 BJTNNQKTKFITQM-UHFFFAOYSA-N 311.397 3.817 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(C2CC2)ncn1 1888860403 WYZXPOYTZDKEMB-UHFFFAOYSA-N 307.275 3.625 0 40 DHAB CC(C)(CO)NCc1ccccc1OCc1ccc(Cl)cc1 359881 JJZARGKWFQJFEY-UHFFFAOYSA-N 319.832 3.780 0 40 DHAB CC(=O)c1c(OCc2ccccc2)ccc2c(C)cc(=O)oc12 383202 GTMRKAQCTHBXJW-UHFFFAOYSA-N 308.333 3.883 0 40 DHAB biogenic O=C(O)c1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2 1304677 UXSWDXQOTCKQJK-UHFFFAOYSA-N 321.254 3.564 0 40 DHAB in-vitro O=C(CNCc1ccco1)Nc1cccc(Oc2ccccc2)c1 3277478 JHNBVCNECMAIHR-UHFFFAOYSA-N 322.364 3.800 0 40 DHAB COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)ccc1C 3290846 NKWGWTGOVXTBQO-UHFFFAOYSA-N 312.365 3.776 0 40 DHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 3499959 BBBMLEVQGMTWTA-UHFFFAOYSA-N 321.735 3.699 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 4610445 AUWMBBIBQMDFAH-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)o2)C1=O 4739660 GZTONNSWUXKBOU-CDDSVFCYSA-N 320.414 3.715 0 40 DHAB CCOc1ccc(-c2ccc(=O)n(Cc3ccc(C)cc3)n2)cc1 5396302 JLADZOUGCUUKMV-UHFFFAOYSA-N 320.392 3.666 0 40 DHAB O=C(Nc1ccc(Br)cc1)c1cccnc1Cl 6330422 UVGYVEYHRUFVQN-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB CCOc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 7070725 AACSFRDFFAUAHS-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB Cc1cc(=O)oc2cc(OC(=O)CCc3ccsc3)ccc12 7211622 RMXGTIKSACLNQP-UHFFFAOYSA-N 314.362 3.701 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(F)c2)c1 7792266 BAOHFSPISQLTNP-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB CCCn1c(SCc2ccc(C(C)(C)C)cc2)n[nH]c1=O 8474928 KKPRJJSLDZQCNH-UHFFFAOYSA-N 305.447 3.571 0 40 DHAB Cc1ccccc1CN1CCC(C(=O)NC2CCCCC2)CC1 9062868 SVAYSEDKGKGGSL-UHFFFAOYSA-N 314.473 3.656 0 40 DHAB C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1nc2ccccc2[nH]1 9467717 LMTFAGGTGOHGPR-CYBMUJFWSA-N 307.397 3.718 0 40 DHAB Cc1nnc(S[C@@H](C(=O)O)c2ccccc2)c2ccccc12 9970820 WULVLTYSPIZRMK-OAHLLOKOSA-N 310.378 3.856 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503858 LWPNIVAYEVGXKF-OAHLLOKOSA-N 311.429 3.849 0 40 DHAB Cc1cccc(NC(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)c1 11009169 WKWRHJNJPPGVNU-QGZVFWFLSA-N 320.396 3.824 0 40 DHAB N=C1S[C@@H](c2cccc(F)c2)CC(=O)N1c1ccccc1 12374368 ZRMHTIIYLRXCER-CQSZACIVSA-N 300.358 3.972 0 40 DHAB S=C(NCc1ccccc1Cl)Nc1ccc2c(c1)OCO2 13817188 CKRMARFFXBSGNI-UHFFFAOYSA-N 320.801 3.555 0 40 DHAB COc1cc(OC)cc(C(=O)N(C)Cc2ccc(Cl)cc2)c1 15649939 CESIHMQTERFSIK-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB CCCC[C@@H](CC)CN1CNC(=S)N(c2ccccc2)C1 20266770 FDRLNFQPZPGUMC-OAHLLOKOSA-N 305.491 3.815 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)CCC3CCCCC3)ccc21 22617826 SAWRKUBRRLUTHM-UHFFFAOYSA-N 314.429 3.895 0 40 DHAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1ccco1 22768792 GNLUMLLNYAEZCL-UHFFFAOYSA-N 308.293 3.611 0 40 DHAB O=C(c1ccccc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 24692682 FURPOCOOJFTCGZ-ZDUSSCGKSA-N 324.355 3.987 0 40 DHAB CC(=O)Nc1ccc2nc(NC(=O)c3ccsc3)sc2c1 25039893 IHTSXPVBQJBXNS-UHFFFAOYSA-N 317.395 3.569 0 40 DHAB CC12CN3CC(C)(CN(C1)C3c1ccc(-c3ccco3)cc1)C2 26580440 WDEFBHGPWPGTRW-UHFFFAOYSA-N 308.425 3.993 0 40 DHAB CCn1cc(-c2nnc(SCc3ccc(C)cc3)o2)cn1 28579142 DAMWQXCYGPBEBO-UHFFFAOYSA-N 300.387 3.554 0 40 DHAB Cc1cc(C(=O)N2CCCC2)c2cc(Br)ccc2n1 32961449 WVTLDCSTZKQZII-UHFFFAOYSA-N 319.202 3.542 0 40 DHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(Cl)s1 33192587 QHTPIBHJDCACMA-BXKDBHETSA-N 307.802 3.582 0 40 DHAB Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@H]2C1 36430683 WBLURPAGRKIDKQ-ULQDDVLXSA-N 300.446 3.834 0 40 DHAB O=C(NCCc1ccccc1F)Nc1cccc(Cl)c1F 40103686 BBBLZRSGTJOPTG-UHFFFAOYSA-N 310.731 3.982 0 40 DHAB Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Cl 41091865 CJHRRQYVKVTQSC-IINYFYTJSA-N 301.839 3.505 0 40 DHAB CCC(C)(C)c1ccc(O[C@H]2CCNC2)c(Br)c1 42775278 OMFPRYSCVHTWBP-LBPRGKRZSA-N 312.251 3.877 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(COC(C)C)cc2)s1 49133264 XBBISHCWSJJPST-UHFFFAOYSA-N 303.427 3.912 0 40 DHAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 58354643 CMWKYWPZPGRYCU-NXEZZACHSA-N 306.793 3.926 0 40 DHAB CCn1c(SCCc2ccccc2)nc2ccsc2c1=O 58657124 MKGIBBCBDYEXAL-UHFFFAOYSA-N 316.451 3.813 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)CCc1ccccn1 62879590 WASJBMJPKJNSNH-OAHLLOKOSA-N 300.427 3.612 0 40 DHAB Cc1cc(C[S@](=O)Cc2csc(-c3cccs3)n2)no1 71859143 DOWLXNSUHNQCSD-HXUWFJFHSA-N 324.452 3.617 0 40 DHAB Cc1cccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)c1 72227448 MEWOSRODEJHKIA-HUUCEWRRSA-N 321.207 3.717 0 40 DHAB CN(C)C(=O)c1cc2sccc2n1Cc1cccc(F)c1 72239323 VYUDHOKIGGYVBL-UHFFFAOYSA-N 302.374 3.592 0 40 DHAB CCC(CC)(CC)NC(=O)Nc1ccc(N2CCOC2=O)cc1 72296083 XPBAETVESMYXBH-UHFFFAOYSA-N 319.405 3.734 0 40 DHAB CSc1ccc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)cc1F 72296889 QRJLAUSCBREMLQ-SECBINFHSA-N 321.421 3.640 0 40 DHAB O=C(NC[C@@H](O)c1ccoc1)c1ccccc1Oc1ccccc1 85471637 YVQWBTRFOMBQTO-QGZVFWFLSA-N 323.348 3.535 0 40 DHAB Cc1csc(C2(NC(=O)c3cc(C4CC4)on3)CCCC2)n1 89705455 SYEMFVCRGGDRPI-UHFFFAOYSA-N 317.414 3.516 0 40 DHAB Cn1ccnc1C[C@H](Nc1ccncc1Cl)c1ccccc1 95408655 WMZDIVAFLQHPPN-INIZCTEOSA-N 312.804 3.864 0 40 DHAB CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(Br)cc21 95635146 YZEZLDIZHPBHGQ-GFCCVEGCSA-N 312.207 3.961 0 40 DHAB in-vitro Cc1ccc2oc(C(=O)N3C[C@H](C)Oc4ncccc43)cc2c1 95973370 JYHIIHKNMOEYDV-LBPRGKRZSA-N 308.337 3.564 0 40 DHAB O=C1NCCN1c1cccc(NCc2cc(Cl)ccc2F)c1 95973516 CEOQWRYZFZBDHB-UHFFFAOYSA-N 319.767 3.621 0 40 DHAB c1csc(CN2CC3(CCN(Cc4ccsc4)C3)C2)c1 96046480 WXRUYFBTIIYFKR-UHFFFAOYSA-N 304.484 3.518 0 40 DHAB C[C@@H](NC1(CNC2CCCCC2)CCOCC1)c1ccccc1 97009625 ZYVIEFXRZPDWSR-QGZVFWFLSA-N 316.489 3.809 0 40 DHAB Cc1cc([C@H](C)NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)o1 97234623 TXRXNWVZIAYZPT-BLLLJJGKSA-N 316.405 3.617 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100626701 MSFKJQSFWWCTGC-VJOHVRBBSA-N 313.397 3.662 0 40 DHAB CCc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2C)C1=O 101275653 XZICPRNDUHWUGV-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB C[C@H](CCc1ccccc1)NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102233681 JDQPGADBLGGPFK-IWCQGFGOSA-N 302.487 3.660 0 40 DHAB CCc1cccc2c3c([nH]c12)[C@](CC(=O)O)(C(C)C)OCC3 145466613 ZYYZBAXQYNUZCT-SFHVURJKSA-N 301.386 3.629 0 40 DHAB in-vitro Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cccc(Cl)c1 216953553 RXYPQNPJBHGGKF-UHFFFAOYSA-N 313.740 3.990 0 40 DHAB Cc1cccc(OCC(=O)NCCCc2ccc(F)cc2)c1C 222818009 XMEUFFCLQOPQLJ-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB COc1ccc(CCC(=O)NCCSC(C)(C)C)cc1C 224545159 MVBXJHSBJCCROA-UHFFFAOYSA-N 309.475 3.584 0 40 DHAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 224681731 WFZAZVUZBDWODL-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)cc1 224856270 XPUAMXMUOXPVQL-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB CCCCCNC(=S)Nc1nccc(-c2cccs2)n1 225185843 ANJXTZXZFCQVGO-UHFFFAOYSA-N 306.460 3.682 0 40 DHAB Cc1ccc(C(=O)N2CCS/C2=C/c2csc(C)n2)cc1 225259534 ZRSLGDDWVLLEKH-OQLLNIDSSA-N 316.451 3.948 0 40 DHAB Cc1ccc(C)c(C(=O)NCc2ccc(-n3ccnc3C)cc2)c1 225828485 PVVMHCFTBKQAPY-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB COC(=O)[C@@H]1[C@@H](C[C@H](O)c2ccccc2)[C@H]2CC[C@@]1(C)C2(C)C 245239664 LLZXMKJMTYWIHO-YPLULLRNSA-N 316.441 3.972 0 40 DHAB Cc1csc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)c1 257276552 NUGFBFRIFOPEIW-GFCCVEGCSA-N 306.456 3.841 0 40 DHAB Cc1cc([C@H]2CCCN2Cc2cc(C(=O)O)ccc2Cl)on1 566357622 FXTWXMFUJUCPRE-CQSZACIVSA-N 320.776 3.672 0 40 DHAB Cn1c(CNc2ccccc2OCC(F)(F)F)cnc1Cl 585091236 TXJQDHFOWCFYJJ-UHFFFAOYSA-N 319.714 3.627 0 40 DHAB CCc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 496592 WUUWNFGAHACFSL-XYOKQWHBSA-N 311.381 3.918 0 40 DHAB O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1Cl 1273823 YISBZJSEJCIBRF-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB C[C@@H](CCN(C)C)OC(=O)C(c1ccccc1)c1ccccc1 1810646 BPZNOFKMNCMRQO-INIZCTEOSA-N 311.425 3.702 0 40 DHAB CCOc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 2112214 XDLHAHDPPCGSAH-UHFFFAOYSA-N 323.396 3.931 0 40 DHAB biogenic CCCCN1C(=O)N(c2cccc(C)c2)[C@](C)(O)CC1(C)C 2274953 YWOOIFAFTCNXEN-GOSISDBHSA-N 304.434 3.914 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)c(F)c2F)c1C 2647640 VTNOKPXTMNUZQQ-UHFFFAOYSA-N 310.275 3.504 0 40 DHAB COc1ccc(Cl)cc1NC(=O)COc1ccccc1F 3203369 KCUAZMRGHRGWMR-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](CCc3ccccc3)[C@@H]1[C@H]2C 4026427 XWHWCKHMKQSYBV-OMZCVMJRSA-N 300.442 3.845 0 40 DHAB CCN(CC)CCN(C(C)=O)c1nc2cc(C)cc(C)c2s1 4359499 AAIPCGIOIJEFOT-UHFFFAOYSA-N 319.474 3.608 0 40 DHAB O=C1O[C@@](c2ccccc2)(c2ccc(O)cc2)c2ccccc21 4692424 NHXWHNLPLPWQIG-FQEVSTJZSA-N 302.329 3.855 0 40 DHAB O=C(O)CCCCCCCCCCC(=O)CCCC(=O)O 5287105 CAJLFVYRMXXDCV-UHFFFAOYSA-N 300.395 3.796 0 40 DHAB CCCN(CCC)CP12(O[C@@H](C)[C@@H](C)O1)O[C@@H](C)[C@@H](C)O2 5298660 RXAWBXAKAOSLAY-NMWPEEMBSA-N 321.398 3.927 0 40 DHAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccs3)NC(=O)CN21 5377565 IEVWWYRNZVFXBW-SGQUHAKNSA-N 324.449 3.694 0 40 DHAB CCOc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1 5980381 CSBCFVGXDLTROD-UHFFFAOYSA-N 308.381 3.987 0 40 DHAB CCc1nnc(S/C(=C\c2ccc(SC)cc2)C(=O)O)o1 7342656 KENJABPGGCAGOU-FLIBITNWSA-N 322.411 3.572 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccs2)cc1 7375788 PUPNJSSNPJOWRE-CHWSQXEVSA-N 302.443 3.988 0 40 DHAB Cc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1 7404546 BGCRLTDRWUMSQP-AWEZNQCLSA-N 301.411 3.525 0 40 DHAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cccc(Cl)c2Cl)C1 7811677 QYFXWAOZEOHFSL-GHMZBOCLSA-N 315.244 3.910 0 40 DHAB CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)O)cc1 7885543 RVNULUDMUBBQFC-SJKOYZFVSA-N 324.380 3.750 0 40 DHAB COc1cccc(NC(=O)C[C@@H](C)NC2CCC(C)CC2)c1 8324104 JXFOIVVDURXZBO-SHARSMKWSA-N 304.434 3.581 0 40 DHAB CCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12 8772735 UHGNOPKYKHJPRV-UHFFFAOYSA-N 316.401 3.697 0 40 DHAB O=C(CCC(=O)c1ccccc1)NCc1ccc(Cl)cc1 9882337 NKXOBTRBPIDRBN-UHFFFAOYSA-N 301.773 3.619 0 40 DHAB CC(C)c1ccc(NC(=O)C[C@H]2Nc3ccccc3OC2=O)cc1 10325416 NTIMULVDGJQDND-MRXNPFEDSA-N 324.380 3.538 0 40 DHAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2F)c1 10543948 SZNAAGDCIVHEQU-CQSZACIVSA-N 321.417 3.623 0 40 DHAB CN1/C(=C\C(=S)NC(=O)C2CCC2)C(C)(C)c2ccccc21 12487162 NOKOBQGXUQIIOX-PTNGSMBKSA-N 314.454 3.542 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1nc2ccccc2[nH]1 12540081 JTDYHYRPKHVAOV-SECBINFHSA-N 317.751 3.846 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)n[nH]2)c(O)c1 13127051 PIBODLSHIGXVRS-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB CCCCN1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 13322877 XKCNPJYFZGBIHE-UHFFFAOYSA-N 309.841 3.598 0 40 DHAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)c(C)c1 13790753 UZXUXADSBYJSRI-UHFFFAOYSA-N 314.410 3.884 0 40 DHAB CC(=O)Nc1ccc(CNCCSCc2cccs2)cc1 14138469 DQOXYKPMZQELKA-UHFFFAOYSA-N 320.483 3.730 0 40 DHAB CC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 16153569 BDBOWHKOHFAPAL-UHFFFAOYSA-N 317.410 3.615 0 40 DHAB CCOc1ncccc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 18135996 PIXNIZPTXNXPIX-MRXNPFEDSA-N 316.376 3.747 0 40 DHAB O=C(Nc1ccccc1Br)c1cc(F)ccc1F 19481290 VUEQWICGTKEOGP-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C 21269644 KRKRFOSKVIJLOX-GZTJUZNOSA-N 308.381 3.873 0 40 DHAB Oc1ccc(N2CCN(Cc3cccc4ccccc34)CC2)cc1 23750415 FAZMJQBQBSOFNQ-UHFFFAOYSA-N 318.420 3.868 0 40 DHAB CN(Cc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 24748950 PWSJMYQXHOOVDC-UHFFFAOYSA-N 312.394 3.704 0 40 DHAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(F)cc1 24969443 WPWMNMGOSUTNMZ-UHFFFAOYSA-N 315.344 3.744 0 40 DHAB Cc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 27740722 GLYWQTUAGQQDTP-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB Cc1nc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cs1 27865424 ZKCSKMWPWCDLMD-OAHLLOKOSA-N 301.415 3.674 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CCCCC1 27975678 RFJZSSDJSFUAFI-SFHVURJKSA-N 301.430 3.782 0 40 DHAB Cc1cc(NC(=O)Nc2ccccc2)n(Cc2ccccc2)n1 28220063 CECFPRIVOTVQOR-UHFFFAOYSA-N 306.369 3.884 0 40 DHAB CCOc1cccc2cc([C@H](C)Nc3nccc(OC)n3)oc12 32808461 JNIMUKWDCRDMBJ-NSHDSACASA-N 313.357 3.803 0 40 DHAB O=C(CCc1cc2ccccc2o1)Nc1n[nH]c2ccccc12 40068219 WJUMFBYDDVLMBI-UHFFFAOYSA-N 305.337 3.880 0 40 DHAB Cc1ccc(-c2nc(O)c3oc(-c4ccccc4)nc3n2)cc1 41155038 OTSABKYJBDGQAN-UHFFFAOYSA-N 303.321 3.966 0 40 DHAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)n[nH]2)cc1 44839109 HVPDPAOLJYZZMV-CQSZACIVSA-N 305.381 3.876 0 40 DHAB Cc1ccc(C)c(CSCc2cc(=O)n3ccccc3n2)c1 46805703 KBXNJMCXCQLDOJ-UHFFFAOYSA-N 310.422 3.745 0 40 DHAB Cc1cccc(NC(=O)C[C@@H]2C=CCC2)c1C(=O)N1CCCC1 46909864 BPWAYZUIVDZVFU-OAHLLOKOSA-N 312.413 3.526 0 40 DHAB CCN(CC)Cc1ccc(C(=O)Nc2ccccc2COC)o1 46933187 IVPSMIORIXOGRJ-UHFFFAOYSA-N 316.401 3.520 0 40 DHAB C[C@H](Sc1nnc(N)s1)c1ccc(OC(F)F)cc1 48987262 HRPJYTQEOZFUAT-LURJTMIESA-N 303.359 3.575 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1cccc(F)c1 55863082 CBWCFUCRGTVSJO-QGZVFWFLSA-N 316.376 3.727 0 40 DHAB CN(Cc1cccs1)C(=O)c1cc2c(cc1O)CCCC2 65616998 FGGFAPMEBUTXQI-UHFFFAOYSA-N 301.411 3.605 0 40 DHAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(F)c(Cl)c1 69486510 INAONQHYTRZPKH-UHFFFAOYSA-N 310.756 3.829 0 40 DHAB Cc1csc(C2CCN(C(=O)c3ccccc3F)CC2)n1 69625766 NDHNJNRDMBYZOP-UHFFFAOYSA-N 304.390 3.610 0 40 DHAB Clc1ccc(N2CCOCC2)c(NCc2ccccc2)c1 70948519 SPCRMQMYKUZNSL-UHFFFAOYSA-N 302.805 3.789 0 40 DHAB C[C@@H]1C[C@@H]1c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71889989 FXYPRXFGSDONIP-RISCZKNCSA-N 318.804 3.943 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1=NCCC1 72214899 ZKWJSKALWTZFEV-UHFFFAOYSA-N 303.406 3.814 0 40 DHAB Cc1ccc(Oc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)o2)cc1 72260105 UEQLFAVTPXUDPF-OKILXGFUSA-N 315.369 3.630 0 40 DHAB O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72273255 UKGLRILMPORELL-SJORKVTESA-N 323.440 3.626 0 40 DHAB O=C(c1ccnc2ccccc12)N1CC[C@@H](Cc2ccccc2)C1 76507077 HCWBGHRROSKMKC-KRWDZBQOSA-N 316.404 3.940 0 40 DHAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CCC(C)(C)O)n1 85261356 WZXSQIMQFPWTGE-UHFFFAOYSA-N 314.216 3.721 0 40 DHAB Cc1ccc(NCc2nc(C)cs2)c(OC[C@H]2CCCO2)c1 89623819 KLUGVTYXVNLJDL-CQSZACIVSA-N 318.442 3.930 0 40 DHAB COC(=O)CC1(NC[C@@H]2C[C@@H]2c2ccccc2)CCCCC1 95453401 ZNWCPXSYALLPKP-DLBZAZTESA-N 301.430 3.646 0 40 DHAB Cc1[nH]nc(C(F)F)c1NC(=O)c1ncoc1-c1cccs1 95456725 LQGQGHLNWLZOOK-UHFFFAOYSA-N 324.312 3.625 0 40 DHAB CCOC(=O)c1cnc(-c2ccc(Br)cc2)s1 95751670 DBMRLVSBIWMDOK-UHFFFAOYSA-N 312.188 3.749 0 40 DHAB CCOc1cc(NC(=O)Nc2c(C)noc2CC)ccc1OC 95942625 JFIXWCCJUGQCIM-UHFFFAOYSA-N 319.361 3.597 0 40 DHAB CSc1ccc(/C=C/C(=O)NCc2cc(C)oc2C)cc1 96120548 OQFYEIXVLFREGV-RMKNXTFCSA-N 301.411 3.948 0 40 DHAB O=C(NCc1ccccc1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100328959 QJUSYSOJRKPOAM-QEFXCSQDSA-N 303.833 3.881 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccc(F)cc2)CC1 100809728 UJAWPDHOXGWNBN-IYBDPMFKSA-N 322.424 3.751 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1cccc2ccccc12 155547003 JHVSULGSYXIPRM-UHFFFAOYSA-N 302.377 3.794 0 40 DHAB COc1ccc(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)cc1OC(C)C 184208498 VCCVPYULAKTHBW-OKILXGFUSA-N 318.417 3.602 0 40 DHAB CC(C)NC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 208047519 ZUMBKRKAVQVYCQ-AWEZNQCLSA-N 312.866 3.938 0 40 DHAB Cc1cc(C)cc(OCC(=O)NC(C)(C)Cc2ccccc2)c1 223012575 ZUSOREYVNNAXRE-UHFFFAOYSA-N 311.425 3.820 0 40 DHAB CCOc1ccc(C(=O)N2CCCCC2)cc1COC(C)C 224719259 JTARWDUTKWLLFY-UHFFFAOYSA-N 305.418 3.636 0 40 DHAB C[n+]1ccc(-c2nc3ccc(Br)cc3s2)cc1 226776459 VGQFLQAVGXVNEP-UHFFFAOYSA-N 306.208 3.550 0 40 DHAB Cc1cnc([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)s1 257214650 CMUOTIYYMHBGFW-LBPRGKRZSA-N 319.430 3.583 0 40 DHAB CC(C)C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257296534 RDFRTOGAUSHOHF-INIZCTEOSA-N 316.376 3.724 0 40 DHAB Clc1ccc2ncc(-c3cccc([C@H]4CCCNC4)n3)n2c1 585262908 DDUBMHGIDJINBH-LBPRGKRZSA-N 312.804 3.517 0 40 DHAB O=Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 289347 QGFPPNLCCBKNIE-UHFFFAOYSA-N 323.270 3.535 0 40 DHAB CC[C@H](COC(=O)c1ccc(N(C)C)cc1)NC1CCCCC1 1710562 DSUZCUIWCYBBTC-MRXNPFEDSA-N 318.461 3.610 0 40 DHAB C[C@@H]1CCCc2sc3ncn4nc(-c5cccnc5)nc4c3c21 2334413 XNMDYBKZZDOMQO-SNVBAGLBSA-N 321.409 3.841 0 40 DHAB CC(C)(C)SCCNC(=O)c1cc(Cl)nc(Cl)c1 2577706 MGJKABAMGWNEGM-UHFFFAOYSA-N 307.246 3.650 0 40 DHAB CCOC(=O)N[C@@H]1Cc2ccccc2[C@@H]1Sc1ccccn1 3048247 HYEHRBPZEDEHPY-ZBFHGGJFSA-N 314.410 3.586 0 40 DHAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C 4083876 CMRJPMODSSEAPL-YRPNKDGESA-N 312.409 3.900 0 40 DHAB biogenic O=S(=O)(Cc1ccccc1)Nc1ccccc1C(F)(F)F 4704357 ATDDBEUEJPQKCM-UHFFFAOYSA-N 315.316 3.647 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)Cc3ccc(F)cc3)c2c1 5015690 VOVMISUWWFFWKX-UHFFFAOYSA-N 310.372 3.517 0 40 DHAB biogenic Cc1ccc(OC/C=C\CS(=O)(=O)c2ccc(C)cc2)cc1 5124810 YMXTUPBUXNFVAL-ARJAWSKDSA-N 316.422 3.712 0 40 DHAB O=Cc1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 5653153 SCXYLVKPFOYKJV-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB CSCC[C@H](NC(=O)CC(C)(C)C)c1nc2ccccc2[nH]1 5827129 BRRFSGRWTTWDNX-AWEZNQCLSA-N 319.474 3.910 0 40 DHAB Cc1c(C(=O)N[C@H]2CCOc3ccccc32)oc2ccccc12 5938148 LEKGMOFCMTVMCR-HNNXBMFYSA-N 307.349 3.995 0 40 DHAB Cc1ccc(-c2nc(CSc3nncn3C)cs2)cc1 6063491 GYIHGXCDILMPJO-UHFFFAOYSA-N 302.428 3.539 0 40 DHAB O=C(Nc1cccc2ccccc12)c1cc(=O)[nH]c2ccccc12 6152818 PPFGVCGTAHFXKB-UHFFFAOYSA-N 314.344 3.934 0 40 DHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CC1 6254063 LAWYAPHWZWELCQ-UHFFFAOYSA-N 311.168 3.849 0 40 DHAB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)S[C@@H](C)C(=O)N2 6678494 ZWONHGGXXVOGRQ-UFBFGSQYSA-N 307.806 3.535 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)cc1 7053939 RHAVBZNBRHJUQL-UHFFFAOYSA-N 319.426 3.794 0 40 DHAB COc1cc(NC(=O)c2cccc(-n3cccc3)c2)cc(OC)c1 7359737 SZLRUBVBDUYDJI-UHFFFAOYSA-N 322.364 3.747 0 40 DHAB Nc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 7468670 TZJIDYGTBCHDPG-UHFFFAOYSA-N 303.365 3.507 0 40 DHAB CC[C@@H](NC(=O)COc1ccccc1OC)c1ccc(C)cc1 7792590 SAAAFZZBSCEBGE-MRXNPFEDSA-N 313.397 3.650 0 40 DHAB Cc1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1 7897121 GIVOSQDPHRQRJA-UHFFFAOYSA-N 311.425 3.988 0 40 DHAB C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccn1 7980286 IFROPFSXUPGFSY-LBPRGKRZSA-N 300.427 3.903 0 40 DHAB COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1F 8388913 WWYVLCFPERUCKJ-AWEZNQCLSA-N 317.385 3.801 0 40 DHAB COC(=O)CCSc1ncnc2sc3c(c12)CCCCC3 8756028 AEYFOFYBBDUEDN-UHFFFAOYSA-N 322.455 3.615 0 40 DHAB O=C(Nc1nnc(CCc2ccccc2)s1)c1cccs1 9288098 RVOADIDYZQITCL-UHFFFAOYSA-N 315.423 3.637 0 40 DHAB aggregator CCOc1ccccc1-c1cc(=O)c2cc(NC(C)=O)ccc2o1 9659954 IDNKJISZJIESDK-UHFFFAOYSA-N 323.348 3.817 0 40 DHAB biogenic Cc1cc(C)c(C)c(OC[C@H](O)CSc2ccccn2)c1 11692564 RRROHPPIJUZQPG-HNNXBMFYSA-N 303.427 3.539 0 40 DHAB CCc1ccc(O[C@@H](C)C(=O)Nc2onc3c2CCCC3)cc1 11914853 ZPLMMLYSYIOBCZ-LBPRGKRZSA-N 314.385 3.522 0 40 DHAB Cc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)c(C)o1 12874079 GRSABJOHMPGKCK-CQSZACIVSA-N 301.386 3.794 0 40 DHAB O=C(CN1CCSc2ccccc21)Nc1ccc(Cl)cc1 13062863 VWVQPLKSMILBMD-UHFFFAOYSA-N 318.829 3.891 0 40 DHAB CCCc1cc(C(=O)N2CC(=O)Nc3ccccc32)sc1C 14075958 NKJTYTHQRDYCIU-UHFFFAOYSA-N 314.410 3.608 0 40 DHAB CCn1c(=O)n(Cc2coc(-c3ccccc3)n2)c2ccccc21 14713074 DKUZMFSJSPIDBK-UHFFFAOYSA-N 319.364 3.526 0 40 DHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(O)c1 14713301 OOELRDVZTLWTNL-UHFFFAOYSA-N 323.352 3.675 0 40 DHAB CCc1cccc(OCC(=O)Nc2ccc3oc(C)nc3c2)c1 15567736 RQDJBXWSFJDSLP-UHFFFAOYSA-N 310.353 3.716 0 40 DHAB c1coc([C@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)c1 19376173 QPVMKVCIEVVEOO-IBGZPJMESA-N 319.408 3.623 0 40 DHAB CCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1OC 20136587 IWCUPTVOBQKDCK-UHFFFAOYSA-N 303.358 3.576 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(F)cc1F 20482799 ALOOFSDQFVMUIE-MRXNPFEDSA-N 321.323 3.770 0 40 DHAB O=[P@](O)(CCc1ccccc1)Cc1nc2ccccc2[nH]1 20727373 FOHHJNBCYKTXFU-UHFFFAOYSA-N 300.298 3.576 0 40 DHAB COCc1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)cc1 21899941 LCYXPXJNQODGEA-XUTLUUPISA-N 324.424 3.556 0 40 DHAB COc1ccc2oc(-c3cc(N)c(OC)c(Cl)c3)nc2c1 26509173 WXHUUYMNZBLFOR-UHFFFAOYSA-N 304.733 3.748 0 40 DHAB Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1ccc2ccccc2c1 27320797 WXOMGPXLURCHCY-CYBMUJFWSA-N 321.424 3.610 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@@H](c2ccccc2)C1 27910061 MANJMVHCMBAXLP-GOSISDBHSA-N 320.392 3.690 0 40 DHAB O=C(Nc1nncs1)c1ccc2[nH]c3c(c2c1)CCCCC3 28937099 DHSCJZHCRGIZQP-UHFFFAOYSA-N 312.398 3.541 0 40 DHAB COc1ccc(-c2nc(COc3ccc(C(C)=O)cc3)no2)cc1 31676021 BNXLGGMFBQPTFX-UHFFFAOYSA-N 324.336 3.527 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)c1cccs1 31809414 UWTYSGAUXJQOMT-SNVBAGLBSA-N 312.394 3.598 0 40 DHAB CC(C)(C)c1cc(-c2nn3c(-c4ccccc4)nnc3s2)n[nH]1 31811300 UTZYHANUNGGZJD-UHFFFAOYSA-N 324.413 3.540 0 40 DHAB C[C@H]1CN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](C)O1 32633741 DTXSBQNKUWQGCI-OKILXGFUSA-N 307.393 3.507 0 40 DHAB COC[C@@H](C)NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 32901791 WDMIHTDHNVXKSH-ZJNQMXKESA-N 319.401 3.719 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 36661293 XZRYDMSCDVGIAZ-VBQJREDUSA-N 305.418 3.546 0 40 DHAB Nc1cc(C(=O)Nc2ccccc2OC(F)F)ccc1Cl 37328041 VKYPROPOPAMIFT-UHFFFAOYSA-N 312.703 3.776 0 40 DHAB O=C(NCc1ccoc1)N[C@@H]1CCSc2ccc(Cl)cc21 40145356 AOJZTPBWPRAYEC-CYBMUJFWSA-N 322.817 3.969 0 40 DHAB OC1=Nc2c(ncn2-c2cccc(F)c2)[C@H](c2cccc(O)c2)C1 40284764 NIGLNGQRJYMJTK-HNNXBMFYSA-N 323.327 3.841 0 40 DHAB Cc1csc([C@H](C)NC(=O)N[C@H](C)c2ccc(F)cc2)n1 69218437 VPCVJVXHBAWZSO-MNOVXSKESA-N 307.394 3.712 0 40 DHAB Cn1ccc2ccc(C(=O)NCCn3ccc4ccccc43)cc21 70666461 CUAKYRLEEFWSRT-UHFFFAOYSA-N 317.392 3.563 0 40 DHAB biogenic Cn1cc(/C=C2\SC(=O)N=C2Nc2ccc(Cl)cc2)cn1 71285972 KVMQYYLNXNEZBF-SDQBBNPISA-N 318.789 3.792 0 40 DHAB N[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1 72225816 KROXTSGXUOBERP-FQEVSTJZSA-N 301.393 3.824 0 40 DHAB Cc1nc([C@H](C)NC(=O)NC2(c3ccccc3)CCC2)cs1 72271582 YZUVOZWMCQACFS-LBPRGKRZSA-N 315.442 3.891 0 40 DHAB CCOc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 72331814 ABJJGGOLRNDHEP-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2cccnc2)o1 76066717 CSLKGPJJXZNXAN-XJKSGUPXSA-N 313.401 3.666 0 40 DHAB C[C@@]1(CCc2ccccc2)CCN(c2cnnc(O)c2Cl)C1 79047934 TVZFNPGJBPHNKE-QGZVFWFLSA-N 317.820 3.685 0 40 DHAB O=C(c1cc(Br)c(O)c(Br)c1)C1CC1 88120934 DOTPDBFTQBDBRL-UHFFFAOYSA-N 319.980 3.510 0 40 DHAB C[C@@H](NCCCn1cccn1)c1nc(-c2ccccc2)cs1 95419842 STVQSLHDTDDXLL-CQSZACIVSA-N 312.442 3.748 0 40 DHAB Clc1ccc(OC[C@H]2CCCO2)c(NCc2cccnc2)c1 95428762 AVYICOZLWAGAGJ-OAHLLOKOSA-N 318.804 3.905 0 40 DHAB C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)[C@@H]1CC1(Cl)Cl 95961220 LQUSKXJRXMOBKS-XWUBHJNHSA-N 312.240 3.973 0 40 DHAB O=C1CC2(CCN(Cc3ccccc3)CC2)c2c(F)cccc21 96261788 ZSNHINMTDGYSPV-UHFFFAOYSA-N 309.384 3.946 0 40 DHAB CCc1cnc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 96441389 HHONRKGJELIUJH-KRWDZBQOSA-N 318.392 3.557 0 40 DHAB CC(C)n1cc([C@@H](C)Nc2cccc(Cn3cccn3)c2)cn1 97037355 CNOQNUKBZKENLR-OAHLLOKOSA-N 309.417 3.882 0 40 DHAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1CCCSC1 97371195 IMQDRVVRPTXCGC-CABZTGNLSA-N 321.412 3.608 0 40 DHAB C[C@@H](NC(=O)Nc1cc(Cl)cc2c1OCC2)c1ccncc1 97380052 GGWAOBDSVSAYAP-SNVBAGLBSA-N 317.776 3.553 0 40 DHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)/C=C/c1ccccc1)C2 100424214 FSKCEIFLUVCKHY-MCBHFWOFSA-N 312.457 3.612 0 40 DHAB Cc1ccccc1C1(C(=O)NCc2ccc(O)nc2)CCCCC1 135589860 YBICJEDLZQGCHT-UHFFFAOYSA-N 324.424 3.614 0 40 DHAB CCCCO[C@@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217809905 MTFKBHIICHJLER-CQSZACIVSA-N 316.275 3.622 0 40 DHAB CC(C)[C@@H]1C[C@]2(C)NC(=O)CCCC[C@@H]2N1Cc1ccccc1 218905062 XFDARQVSZRZNQF-BJLQDIEVSA-N 314.473 3.734 0 40 DHAB biogenic CNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224273341 YZPIFKBXBDGLMT-UHFFFAOYSA-N 313.397 3.559 0 40 DHAB CCCSc1nnc(NC(=O)c2cc(C)ccc2C)s1 225248529 QEQMUWDINGYNKR-UHFFFAOYSA-N 307.444 3.909 0 40 DHAB CCc1ccc(CN(Cc2cccnc2)Cc2c[nH]cn2)cc1 225469603 BIXRFRYECWLPTO-UHFFFAOYSA-N 306.413 3.570 0 40 DHAB Cc1ccccc1C(=O)NCC[C@H](O)c1cccc(Cl)c1 225607463 SQUHHLZUJZGANR-INIZCTEOSA-N 303.789 3.502 0 40 DHAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cn1 225708862 VUCNQUZASFPCCN-ZDUSSCGKSA-N 315.442 3.755 0 40 DHAB Cc1ccc(-c2nnc(SC(=O)c3ccccc3O)o2)cc1 408600214 XCFRMUPFOZXIRV-UHFFFAOYSA-N 312.350 3.683 0 40 DHAB Fc1cccc2c1CC[C@H]2N=c1nc(-c2ccccc2)[nH]s1 504057149 UOTHLENSMZSAGX-OAHLLOKOSA-N 311.385 3.866 0 40 DHAB Cc1ccccc1NC(=O)NCC[C@@H](CCO)c1cccs1 575608696 VYMPDCAXNZNCTG-AWEZNQCLSA-N 318.442 3.734 0 40 DHAB C[C@@H](CN(C)Cc1c(Cl)cccc1C(=O)O)c1nccs1 581613003 NXPMDJPUZRHBFD-JTQLQIEISA-N 324.833 3.730 0 40 DHAB CC(C)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1776000547 RQLUKNPFJLUYCM-LBPRGKRZSA-N 302.340 3.600 0 40 DHAB Cc1cc(OC2CN(C(=O)c3cc4ccccc4s3)C2)ccn1 1889221305 GSANWMKOYXFTEK-UHFFFAOYSA-N 324.405 3.508 0 40 DHAB Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(C)c1 45003 JMVQYBJGDQJION-INIZCTEOSA-N 322.408 3.603 0 40 DHAB C[C@@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 144662 WODRSVDCJXWKFV-GFCCVEGCSA-N 310.422 3.631 0 40 DHAB CC1(C)CCCC2=C1C[C@H]1C(=O)NN(c3ccccc3)C(=O)[C@@H]1C2 171943 SEEZGBPPAWHPMP-HZPDHXFCSA-N 324.424 3.597 0 40 DHAB biogenic CC(C)CC(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 342054 XBBYBJYWNLZJHX-UHFFFAOYSA-N 304.337 3.565 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2cccc(CC)c2)c1Cl 385525 ROSQYUUJPOEYED-UHFFFAOYSA-N 305.809 3.841 0 40 DHAB aggregator COc1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1OC 496614 OJCYXMKGTRPAIF-PKNBQFBNSA-N 315.413 3.724 0 40 DHAB Cc1cc(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc1Cl 1469929 COZCCBGXWRWDCY-GOEBONIOSA-N 319.832 3.739 0 40 DHAB COc1cccc([C@@H]2CCCC[C@@H]2SCC(=O)O)c1OC 1592192 DHPFBNZORFLLJT-FZMZJTMJSA-N 310.415 3.548 0 40 DHAB Nc1cc2c(cc1Br)-c1cc(Cl)ccc1C2=O 1673267 HRDSZDNFSSMYIJ-UHFFFAOYSA-N 308.562 3.896 0 40 DHAB FC(F)Oc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 2806493 FZZHEMYVZMDKPV-UHFFFAOYSA-N 312.279 3.546 0 40 DHAB Cc1cnc(NC(=O)/C=C/c2cccc(Br)c2)s1 3555915 PBEHJWXVWNPPBD-AATRIKPKSA-N 323.215 3.866 0 40 DHAB C[C@H](NC(=O)COc1ccccc1Cl)c1ccc(F)cc1 3602912 OWXPLTIQMSTLRV-NSHDSACASA-N 307.752 3.735 0 40 DHAB O=C(NCCOc1ccccc1)c1ccc(Cl)cc1Cl 3663591 XLYJJFRLJDGUFC-UHFFFAOYSA-N 310.180 3.802 0 40 DHAB CC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@H]2[C@@H]1c1ccco1 4555190 GUESWBIUECWPCJ-VUCTXSBTSA-N 301.317 3.604 0 40 DHAB Cc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1Cl 4858997 CPKCXMAPQSSETI-UHFFFAOYSA-N 320.845 3.672 0 40 DHAB O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc2ccccc2c1 5949328 XMNUTAZIQGENFZ-IAOVAPTHSA-N 315.438 3.554 0 40 DHAB CNC(=O)c1ccccc1[C@H](c1ccccc1)C1(O)CCCCC1 6378896 CHRDZFQONKPORI-IBGZPJMESA-N 323.436 3.873 0 40 DHAB Cc1ccccc1CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 6788272 BCRITNOUWWGWRE-ORAYPTAESA-N 314.429 3.632 0 40 DHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCC1CCCC1 8312481 INWRKNQIIOSSHP-UHFFFAOYSA-N 316.445 3.671 0 40 DHAB CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccs1 8340376 KRMNHFAQKSLPQW-UHFFFAOYSA-N 309.460 3.734 0 40 DHAB Cc1ccn2cc(C(=O)Nc3cc(Cl)ccc3F)nc2c1 9314790 AQRVPSCVMJCRJF-UHFFFAOYSA-N 303.724 3.688 0 40 DHAB Cc1ccc(F)cc1NC(=O)c1ccc(Cn2cccn2)cc1 10642230 NRAONGZDTDDTDQ-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1C 10901498 SPULJLMFRMRKAW-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB Cc1cc(C)n(-c2ccc(SCc3ccc(F)cc3)nn2)n1 11067601 RQWUURBTUJNLHD-UHFFFAOYSA-N 314.389 3.711 0 40 DHAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2cc(C)ncn2)c(C)c1 12016727 TYUPBSZVEWFMHQ-AWEZNQCLSA-N 315.442 3.830 0 40 DHAB C[C@H]1CCCN(C(=O)CCn2c(C(F)F)cc3cccnc32)C1 12187268 HIYISJMNJLQQOT-LBPRGKRZSA-N 321.371 3.623 0 40 DHAB CC(C)c1cc(C(=O)NC2(c3ccccc3)CCCC2)n(C)n1 12197368 HEAOKQWYZIYVGL-UHFFFAOYSA-N 311.429 3.743 0 40 DHAB CCc1ccc(-c2csc(NC(=O)C3CCOCC3)n2)cc1 12686958 OLNZDBABRVLMGM-UHFFFAOYSA-N 316.426 3.738 0 40 DHAB O=C1CCC[C@H]1Sc1nnc(-c2ccccc2F)n1C1CC1 12813589 FHSMMJUEKYHXLH-CQSZACIVSA-N 317.389 3.633 0 40 DHAB CC(C)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12974068 JJKROXLSBISSAP-UHFFFAOYSA-N 306.369 3.643 0 40 DHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)C(C)C 14165692 BOITZCBKVIQJJS-NSHDSACASA-N 320.414 3.676 0 40 DHAB Cc1ccc(CN(C)[C@H](C)C(=O)NC2CCCCC2)c(C)c1 15308780 MJUBEEPXICEILD-MRXNPFEDSA-N 302.462 3.573 0 40 DHAB CC(C)(C)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 16969460 PHDUNBFXEPAXPA-UHFFFAOYSA-N 309.837 3.551 0 40 DHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccncc1 20481491 NKXGAMVUTRGHFI-GOSISDBHSA-N 320.392 3.709 0 40 DHAB COc1cccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c1 28303953 CHYDMRFGPMLUDT-OAHLLOKOSA-N 320.392 3.977 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1C(F)(F)F 32611025 SUVARLBUVOLWNU-LBPRGKRZSA-N 323.314 3.789 0 40 DHAB Cc1csc(CNc2nc(C)nc3sc(C)c(C)c23)n1 32869755 RRLSSEWSHCSXSB-UHFFFAOYSA-N 304.444 3.994 0 40 DHAB CC(C)(C)CC(=O)NCc1ccnc(OCc2ccccc2)c1 32930411 AXAZYWRRLJASOH-UHFFFAOYSA-N 312.413 3.713 0 40 DHAB Fc1ccc2[nH]ccc2c1N1CCN(Cc2ccccc2)CC1 35606078 TYGZEOFXXLXXGG-UHFFFAOYSA-N 309.388 3.629 0 40 DHAB COc1ccc(-c2noc(-c3cc(N)ccc3Cl)n2)cc1 37641966 PPMNHQJJJSCAPJ-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(O)c(Cl)c1 40159651 OFGJEMSFUIQWBQ-UHFFFAOYSA-N 310.180 3.971 0 40 DHAB Cc1ccc(OCCSCC(=O)NC2CCCCC2)cc1 40161363 YRCUYDHNOBAOQX-UHFFFAOYSA-N 307.459 3.556 0 40 DHAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccccc1F 45888933 DKMBVYIPJKHJSE-UHFFFAOYSA-N 315.373 3.887 0 40 DHAB Clc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1 57829488 VHWSRPDMRIITKD-UHFFFAOYSA-N 316.832 3.541 0 40 DHAB O=C(CSc1ncc(-c2ccccc2)o1)Nc1nccs1 58289412 JPIGPYUUFBLKFA-UHFFFAOYSA-N 317.395 3.529 0 40 DHAB CN(CCc1cccc2ccccc12)C(=O)NCc1cccnc1 65501036 IUCLDFHQBCKJNK-UHFFFAOYSA-N 319.408 3.619 0 40 DHAB COCCOc1ccc(F)cc1NC(=O)c1cccc(C)c1C 66432487 COSUZPVZYRXFCR-UHFFFAOYSA-N 317.360 3.720 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc2cccnc12 69744847 GIVAWUFSWXWGAN-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB CN[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72207674 LPJBZPQJQRTGFC-HZPDHXFCSA-N 304.434 3.737 0 40 DHAB Cc1nc(N(C)C)ccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72218738 REUUIBBYZJSEQX-CQSZACIVSA-N 305.422 3.528 0 40 DHAB C[C@H](NC(=O)Nc1cccc2ccccc12)C(C)(C)CN(C)C 76091966 DRVUPNGLKNKVHG-AWEZNQCLSA-N 313.445 3.938 0 40 DHAB COc1ccc(CNCc2ccc(OC(C)C)c(F)c2)cc1O 78602379 POLWWDCMXQPREC-UHFFFAOYSA-N 319.376 3.617 0 40 DHAB CC[C@@H](C)Sc1ccc(NC(=O)N[C@@H]2CCOC2)c(C)c1 89942334 JWRSQZPRBAKZEO-CHWSQXEVSA-N 308.447 3.796 0 40 DHAB CCCCN(CCO)C(=O)c1ccccc1Cc1ccccc1 89954708 LMQRDQMYOSOUJV-UHFFFAOYSA-N 311.425 3.512 0 40 DHAB COc1cccc([C@@H](C)N(Cc2ccncc2)c2cnn(C)c2)c1 97020563 YZPCMEAFHIMCDS-OAHLLOKOSA-N 322.412 3.592 0 40 DHAB Cc1nnc(CN[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)o1 97110968 WTUPZDTZCPOHTK-NXEZZACHSA-N 313.323 3.679 0 40 DHAB Cc1cccc2c(C[C@H](C)NC(=O)C3[C@H]4CCCC[C@H]34)c[nH]c12 100774023 UOFWCCIUSSTCHU-JQFCIGGWSA-N 310.441 3.960 0 40 DHAB CCN1CCCC[C@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 104143385 SSKXRXFROGHPNO-HNNXBMFYSA-N 313.401 3.518 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC=C(CO)C[C@]34C)[C@@H]1CC[C@H]2O 118926550 BWYWJEOODYEXFU-HSXTZPDUSA-N 304.474 3.919 0 40 DHAB O=C(Cc1ccccc1)NCCOc1cccc2ccccc12 223508070 BDUKUIHFCVNUFE-UHFFFAOYSA-N 305.377 3.578 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(Cc1nc(C(=O)O)co1)C1CC1 568992003 ZWYWBGBJQJHLPQ-JTQLQIEISA-N 320.776 3.752 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(Cc1nc(C(=O)O)co1)C1CC1 568992004 ZWYWBGBJQJHLPQ-SNVBAGLBSA-N 320.776 3.752 0 40 DHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccco1 675008408 WSDGAFMYRFKNNB-NSHDSACASA-N 319.407 3.533 0 40 DHAB CCOC(=O)c1c(C)oc2c1cc(OC(C)=O)c1ccccc12 75275 SRFLNLJQERMOGL-UHFFFAOYSA-N 312.321 3.996 0 40 DHAB Oc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc[n+]12 128075 XWHPLJQGBOWNPE-UHFFFAOYSA-O 305.382 3.921 0 40 DHAB O=S1(=O)C=C(SCc2cccc(F)c2)Nc2ccccc21 1406154 QBHGVFZPAGTTJE-UHFFFAOYSA-N 321.398 3.757 0 40 DHAB CC[C@@H](C)[C@@H](C(=O)OC1CCN(CC)CC1)c1ccccc1 1726500 UBWAHRVZHIOXEQ-CRAIPNDOSA-N 303.446 3.844 0 40 DHAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccncc1 3147192 CKKWRXKORLJHDW-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB COc1cc(SC)ccc1C(=O)Nc1nc2ccccc2[nH]1 3417796 AJNXREZTYLMNJQ-UHFFFAOYSA-N 313.382 3.546 0 40 DHAB COc1ccccc1CC(=O)Nc1ccc(N2CCCCC2)cc1 4902272 AUKBDGPGSJWJPD-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB COc1ccc(CCNCc2ccccc2N2CCCC2)cc1 5701409 IMQAIUSPGHCWKB-UHFFFAOYSA-N 310.441 3.628 0 40 DHAB COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 5924802 VXSCAIWZFQJLDL-UHFFFAOYSA-N 319.788 3.983 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1OC(=O)c2ccccc21 6552805 YLIMSRKUBBXJCN-GOSISDBHSA-N 321.376 3.576 0 40 DHAB Cc1ccccc1CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 6788268 BCRITNOUWWGWRE-YJYMSZOUSA-N 314.429 3.632 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C)c1 7756239 ISSBUMPBKZGJRU-LJQANCHMSA-N 320.392 3.898 0 40 DHAB COc1ccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 8237741 YZCLNQQHXPTQPV-ZDUSSCGKSA-N 309.365 3.861 0 40 DHAB COc1ccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)cc1 9002126 QVZNTIBYLPDXQK-UHFFFAOYSA-N 324.365 3.864 0 40 DHAB CN(Cc1cccc(Cl)c1)C(=O)c1cccc(N(C)C)c1 12543236 KQJVJSLSZPHIDH-UHFFFAOYSA-N 302.805 3.678 0 40 DHAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)Nc1cccc(F)c1 12812161 NLKARPYZNPBNSC-SNVBAGLBSA-N 319.357 3.643 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1cccc(Cl)c1 13095292 YYAUWUFWNZJAQW-ZDUSSCGKSA-N 302.805 3.799 0 40 DHAB CC(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 14258111 LXMNPYJBNPCFJZ-UHFFFAOYSA-N 308.385 3.811 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)Nc2cc(F)ccc2F)cc1 15581663 NLVBSOXNMBUHIF-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB Cc1ccccc1-n1ncc2c(N3CCCCCC3)ncnc21 15880890 WTJRIQRQLVQXMY-UHFFFAOYSA-N 307.401 3.504 0 40 DHAB CC[C@H](C)[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 15999130 RPTNPRGIWVXONY-WRWORJQWSA-N 319.188 3.614 0 40 DHAB Cc1nn(C)cc1CN1CCC[C@@H](c2cc3ccccc3cn2)C1 19583823 DJSIWXHDFNKWOY-GOSISDBHSA-N 320.440 3.656 0 40 DHAB CCOC(=O)c1cnc2c(Cl)cccc2c1Br 19721442 PTGMNGULZYMPCN-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB Cc1ccsc1C(=O)NC[C@@H](Nc1ccccc1)C(C)C 22878132 HLLPZKMUVBBDQR-OAHLLOKOSA-N 302.443 3.923 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 24976696 WXWSLGLLFPDHAM-AWEZNQCLSA-N 324.424 3.931 0 40 DHAB COc1ccccc1CNC(=O)c1cc(C)nc2ccc(C)cc12 25424660 VPXLORDZBUAOFN-UHFFFAOYSA-N 320.392 3.790 0 40 DHAB CCn1cc(CNC(=O)c2cccc(Oc3ccccc3)c2)cn1 27918887 HPPFNICHQGJDPI-UHFFFAOYSA-N 321.380 3.625 0 40 DHAB CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 27938242 WLJDFGRGUJPLPQ-UHFFFAOYSA-N 317.698 3.828 0 40 DHAB Cc1ccccc1C(=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 32818353 UBEXZBBZDFSAGC-QWHCGFSZSA-N 315.335 3.615 0 40 DHAB CCCCCCOC(=O)c1cc(Br)ccc1O 39951680 PYHWRSPSOBAKFS-UHFFFAOYSA-N 301.180 3.892 0 40 DHAB CCc1nc2ccc(C(=O)Nc3cccc(C)n3)cc2nc1CC 40012895 PDKBCZCZHRTRDM-UHFFFAOYSA-N 320.396 3.710 0 40 DHAB CC(C)(C)c1cc(Br)ccc1O[C@H]1CCCNC1 42774657 PNTATGWUCJORQL-LBPRGKRZSA-N 312.251 3.877 0 40 DHAB Cc1nnc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)s1 43407378 MKYSZDPOIMEHMQ-LBPRGKRZSA-N 322.821 3.773 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 46407726 GYTCIWMDOLEQOK-INIZCTEOSA-N 309.413 3.643 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCCSC2CCCC2)c1 46450677 DEXXGSMPLOFFJB-AWEZNQCLSA-N 307.459 3.554 0 40 DHAB Cc1ccc(OCc2nnc(SCc3ccccn3)o2)cc1 48325798 UKJGHXXCXHBCDU-UHFFFAOYSA-N 313.382 3.644 0 40 DHAB CN(CCc1ccncc1)C(=O)Nc1ccccc1C(F)(F)F 58228525 GSLNKWDFBMHHIN-UHFFFAOYSA-N 323.318 3.807 0 40 DHAB C[C@H](c1ccncc1)N(C)C(=O)c1csc(-c2ccco2)n1 58299995 BMSVMIBTLCGEEZ-LLVKDONJSA-N 313.382 3.631 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1ccccc1 69435884 LGBKCDDJIBCXMY-KRWDZBQOSA-N 312.413 3.974 0 40 DHAB COc1cc(C(=O)N(C)Cc2cccs2)cc2occc12 71195341 NYUNDWNWKZAZIK-UHFFFAOYSA-N 301.367 3.775 0 40 DHAB Cc1cccc(N(C)C(=O)c2cc(F)cc(Br)c2)n1 72288131 LUIFOVMBRGTKRH-UHFFFAOYSA-N 323.165 3.568 0 40 DHAB COc1cc(Cl)ccc1C(=O)N[C@@H]1CCc2ccccc21 72331761 UDHQMIGTKHVOGP-OAHLLOKOSA-N 301.773 3.766 0 40 DHAB Cc1cc(NC(=O)c2cc3cccc(Cl)c3s2)nn1C 72403476 CLRSGOMFEXOLJC-UHFFFAOYSA-N 305.790 3.849 0 40 DHAB CCOCc1ccccc1NC(=O)N1CCC[C@H](COCC)C1 73185158 HIISDKWCBQEGSB-HNNXBMFYSA-N 320.433 3.504 0 40 DHAB Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1nccn2ccnc12 73612970 ZZUACUOQAXGFIM-QGZVFWFLSA-N 322.412 3.507 0 40 DHAB Cc1ncsc1CN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 79044964 RLDBTHYNMMIFNI-RHSMWYFYSA-N 315.486 3.594 0 40 DHAB Nc1ncccc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 89263301 MGBRCYCOBJVEAN-UHFFFAOYSA-N 307.140 3.688 0 40 DHAB C[C@@H](NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccnc1 92741272 IOZJKFFQOXQYPD-ZIAGYGMSSA-N 317.383 3.537 0 40 DHAB Cc1nc(CCCC(=O)N2CC3(CC3)c3ccccc32)cs1 96455781 WFEPAUZPCNKFHB-UHFFFAOYSA-N 312.438 3.853 0 40 DHAB CCC(CC)(CC)CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 96468957 XFPGCGMAEIOHQJ-AWEZNQCLSA-N 306.454 3.515 0 40 DHAB Cc1cnc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)o1 97086262 BISNHAGDAKOHSE-LBPRGKRZSA-N 306.234 3.654 0 40 DHAB COCc1ccccc1NC(=O)NC[C@@H](C)c1nc(C)cs1 97113122 WJYSPKMCJLTBHI-LLVKDONJSA-N 319.430 3.523 0 40 DHAB Cc1ccc(C2=C[C@@H](c3ccccc3)n3nc(C)nc3N2)cc1 100131721 CWUSRBONXABKAK-SFHVURJKSA-N 302.381 3.951 0 40 DHAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2C)C1=O 101275657 OFFIDIOTVMTEJP-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB Cc1ccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1 105921699 POSGONVNBWHLLT-HRCADAONSA-N 315.413 3.611 0 40 DHAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1ccc(Cl)cc1 199524908 MGGYRSWMBLYUCD-LBPRGKRZSA-N 320.709 3.820 0 40 DHAB CC(C)O[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111208 FPAWASWQZBXOLE-KRWDZBQOSA-N 300.354 3.900 0 40 DHAB Cc1ccccc1NC(=O)NC[C@@H](c1ccsc1)N1CCC1 225595837 JOPNGLNRTSUZIQ-INIZCTEOSA-N 315.442 3.625 0 40 DHAB Cc1cccc(NC(=S)NC2(c3ccccn3)CCCC2)n1 225873035 AXMJIWKYXNXTOA-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB CCC[C@@H](C)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 225914042 ANHVWSWOPDQMQY-GFCCVEGCSA-N 312.417 3.755 0 40 DHAB Nc1ccccc1-c1ccc(C(=O)N2CCc3ccccc32)o1 226304256 YRPWSTUHKLFYNM-UHFFFAOYSA-N 304.349 3.732 0 40 DHAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 408701337 WKFMJBUBOSOJRZ-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB CCC(C)(C)C1CCC(NC(=O)C(=O)NC2CCCCC2)CC1 408706660 CAHHIOFAEPQDDT-UHFFFAOYSA-N 322.493 3.547 0 40 DHAB CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)c2ccccc21 409205210 AHZNVCZTXHNDTM-SFQUDFHCSA-N 303.361 3.913 0 40 DHAB Cc1ncc(CSc2nc3ccccc3c(=O)n2C(C)C)o1 585132942 IKRXWMSBQXHDRM-UHFFFAOYSA-N 315.398 3.566 0 40 DHAB O=Cc1ccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 685936084 DFJUGMKHCYMSMT-UHFFFAOYSA-N 322.208 3.782 0 40 DHAB O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1631 XVUQHFRQHBLHQD-UHFFFAOYSA-N 312.756 3.820 0 40 DHAB in-man CC(C)c1ccccc1NC(=O)COC(=O)c1cccs1 131879 MXHCHBHXBIZUKO-UHFFFAOYSA-N 303.383 3.667 0 40 DHAB O=C(O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 141510 QMSPGJHRRUWFCE-UHFFFAOYSA-N 309.243 3.656 0 40 DHAB COc1cc(NC(=O)c2cccnc2Cl)cc2cccnc12 153282 RUUCECQVFACKLV-UHFFFAOYSA-N 313.744 3.544 0 40 DHAB CCCn1cnc2cc(NCc3nc4ccccc4n3C)ccc21 350219 MOUUMDVRPWULIB-UHFFFAOYSA-N 319.412 3.945 0 40 DHAB CCCc1cc(C(=O)Nc2ccccc2C(F)(F)F)n(C)n1 385454 BJBLLZNNXCXPJC-UHFFFAOYSA-N 311.307 3.644 0 40 DHAB CCc1nc(N2C[C@@H](C)O[C@H](C)C2)c2oc3ccccc3c2n1 542618 PMGOOAVBGZPWCB-VXGBXAGGSA-N 311.385 3.552 0 40 DHAB CCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1 981472 CCIPNZUEBQZXPS-FMIVXFBMSA-N 308.403 3.571 0 40 DHAB O=c1c2ccc(Cl)cc2nc(-c2ccccc2Cl)n1O 1401797 FXMYJIFTMZOCGY-UHFFFAOYSA-N 307.136 3.608 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccccc2Br)c1 3040139 NMYTXWDOSUXIOY-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3273327 SHRXLMZDDYPFHY-UHFFFAOYSA-N 309.394 3.669 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1F 3512080 VBHHTERSULGZPM-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CC(C)OC(=O)c1ccc(NC(=O)Cc2ccccc2F)cc1 3547711 JSJXGKACGUNWLA-UHFFFAOYSA-N 315.344 3.572 0 40 DHAB CSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C 4050128 MYSJBVLHIFAJGF-UHFFFAOYSA-N 307.440 3.562 0 40 DHAB Brc1ccsc1-c1ccnc(-n2cccc2)n1 4088653 BGRACNOQOPFPAX-UHFFFAOYSA-N 306.188 3.758 0 40 DHAB CC(C)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305530 QYEHGRWHGVYWIZ-MRXNPFEDSA-N 314.454 3.624 0 40 DHAB CC(=O)c1c(O)cc(=O)n(-c2ccccc2)c1-c1ccc(C)cc1 5442984 OLRHXGCVXQWWQP-UHFFFAOYSA-N 319.360 3.721 0 40 DHAB O=C(Cc1ccccc1F)NCC12CC3CC(CC(C3)C1)C2 5612665 LGYYNBHWZHZBLF-UHFFFAOYSA-N 301.405 3.701 0 40 DHAB CCc1ccc(-c2nn(CN3CCC(C)CC3)c(=S)[nH]2)cc1 7074521 YLMVIATVGKYZQO-UHFFFAOYSA-N 316.474 3.859 0 40 DHAB Cc1ccccc1N1C[C@H](C(=O)Oc2c(C)cccc2C)CC1=O 7929323 BOVAVAPCWLSLEM-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB CC[C@@H](C)[C@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 8326202 FMEQBXKNQUWRIY-AEFFLSMTSA-N 318.461 3.766 0 40 DHAB CCCCc1ccc2nc(NC(=S)NC(=O)CC)sc2c1 9089860 QDZHDWOKJCUIHO-UHFFFAOYSA-N 321.471 3.862 0 40 DHAB C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 9513323 FANOQHFCKGPRBJ-AWEZNQCLSA-N 315.380 3.989 0 40 DHAB CCc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11155133 OMSZFBGYGMGOLM-SFHVURJKSA-N 312.388 3.820 0 40 DHAB O=C(c1csc2ccccc12)N1CCN(c2ccccc2)CC1 13331606 WNJXVQLYHQQVJP-UHFFFAOYSA-N 322.433 3.864 0 40 DHAB CCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1C 13671029 AFAYRSBHRMAMDB-UHFFFAOYSA-N 311.381 3.743 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 14896129 SWKUSLAHEBTMAZ-UHFFFAOYSA-N 309.365 3.604 0 40 DHAB CN(C)C[P@](=O)(O)CCn1c2ccccc2c2ccccc21 19848242 CYLCARBQQUNSTL-UHFFFAOYSA-N 316.341 3.584 0 40 DHAB COc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1OC 20536100 YLKBQOXYADSKCY-JTQLQIEISA-N 306.387 3.648 0 40 DHAB Cc1ccc(-c2cc(C(=O)OCCO)c3ccccc3n2)c(C)c1 21713142 PUOJZBLXOUHLGG-UHFFFAOYSA-N 321.376 3.668 0 40 DHAB Cc1cccc(OCCNC(=O)c2ccc(OC(C)C)cc2)c1 21785476 VKRLHFHHCIFXOL-UHFFFAOYSA-N 313.397 3.591 0 40 DHAB CCSc1ccccc1C(=O)NCCOc1ccc(C)cc1 25679188 POWQQIQLSXLHPZ-UHFFFAOYSA-N 315.438 3.916 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)cc1 25716424 GLKXLSOPNWSSEZ-OAHLLOKOSA-N 304.777 3.654 0 40 DHAB O=C(OC[C@H]1CC1(Cl)Cl)c1cc(Cl)c(Cl)[nH]1 26424361 VGMARUDSUYETLW-SCSAIBSYSA-N 302.972 3.672 0 40 DHAB C[C@H](C(=O)N[C@H](c1ccccc1)C1CC1)n1cnc2ccccc21 30603595 MYYIVYQPSASZMM-AUUYWEPGSA-N 319.408 3.865 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)Nc1cccc2cccnc12 30680078 GXGHXCNPPXMESD-CQSZACIVSA-N 306.365 3.779 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H](C)C[C@H](C)C1 31864590 FXNMFAFMEOPEFJ-RYUDHWBXSA-N 315.442 3.632 0 40 DHAB Cc1ccc(NC[C@H](O)c2ccc(Br)cc2)cc1 32204765 IKZNHEBRGOQSNY-HNNXBMFYSA-N 306.203 3.903 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(-n2ccc(C)n2)cc1 32611506 JAEATQFYNCWGAA-UHFFFAOYSA-N 321.380 3.832 0 40 DHAB CSc1ccccc1C(=O)NCCO[C@H]1CCCC[C@H]1C 32931261 USHQAAZWYSHCKN-HIFRSBDPSA-N 307.459 3.734 0 40 DHAB COC(=O)c1sc(-c2cccc(Br)c2)cc1N 36929234 YTJTVXOJLZLQGQ-UHFFFAOYSA-N 312.188 3.546 0 40 DHAB in-vitro Cc1c(C(=O)OCc2cccs2)cnn1-c1ccc(F)cc1 40069531 LAKWVJWGGWKJFO-UHFFFAOYSA-N 316.357 3.738 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 44900206 TWFBCTMWPFLCLI-OAUONFCTSA-N 309.365 3.614 0 40 DHAB c1ccc(Cc2noc(CN3CCC[C@H]4CCCC[C@@H]43)n2)cc1 46054559 UXIXVELMXUZARP-SJORKVTESA-N 311.429 3.815 0 40 DHAB Cc1cc(NC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)no1 47968827 SEPQVSYJBZLOAB-YGRLFVJLSA-N 315.373 3.896 0 40 DHAB COc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)n[nH]2)c1 51315924 ZSHSVDAXDFPDOY-ZDUSSCGKSA-N 321.380 3.576 0 40 DHAB C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F 58160742 WOMYCCHEVCKNIG-QWRGUYRKSA-N 322.330 3.782 0 40 DHAB O=C(Nc1ccc(F)cc1F)N[C@@H]1CCOc2ccccc21 58322120 VISRJEWOCOMWOF-CYBMUJFWSA-N 304.296 3.610 0 40 DHAB Cn1cnnc1Sc1ccc(NC(=O)C(C)(C)C)cc1Cl 69464293 AAGKAGQSHFEXOG-UHFFFAOYSA-N 324.837 3.604 0 40 DHAB CCN(CC)CC1CCN(C(=O)Nc2ccc(C)cc2)CC1 69529441 IHRKRSJTDORLMY-UHFFFAOYSA-N 303.450 3.581 0 40 DHAB CN(Cc1ccc(F)cc1)C(=O)Nc1ccc2ccn(C)c2c1 72303970 GDRLAZUENBEYJY-UHFFFAOYSA-N 311.360 3.981 0 40 DHAB Cc1cccc2cc3c(nc12)O[C@H](C)CN(Cc1ccco1)C3 72392474 SESAUOGVLBBHSY-CQSZACIVSA-N 308.381 3.919 0 40 DHAB COc1ccccc1C(=O)N1CCC(c2ccsc2)CC1 75157105 FIGSUSXXNKBBIP-UHFFFAOYSA-N 301.411 3.777 0 40 DHAB Cc1cc(NCc2ccc(-n3ccnc3)nc2)c2ccccc2n1 78548594 OSDCPPLYZHNCMC-UHFFFAOYSA-N 315.380 3.736 0 40 DHAB Cc1nc(Cl)ccc1C(=O)NC[C@H]1CCCc2ccccc21 84028788 VAPFYWBEXNMZIM-CQSZACIVSA-N 314.816 3.893 0 40 DHAB O[C@@H](CN1CCCCCCC1)c1ccc(OC(F)(F)F)cc1 84392951 BURYQIHVYDZXOG-HNNXBMFYSA-N 317.351 3.885 0 40 DHAB C[C@H]1CCC/C(=C\c2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 85650605 YCVCNRICIFOLCB-GSFUKFRZSA-N 317.820 3.566 0 40 DHAB CCn1nc(C)c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1C 89300215 JNINWQBYZQIMDN-XLIONFOSSA-N 323.440 3.753 0 40 DHAB CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F 95115920 IJVXQHRLAVRBRB-QGZVFWFLSA-N 300.308 3.662 0 40 DHAB CC[C@H](C)Oc1ccc(NC(=O)c2ccnc(C3CC3)n2)cc1 95958397 SOUIYDYYWLXCBN-LBPRGKRZSA-N 311.385 3.784 0 40 DHAB O=C(CCn1cccn1)Nc1ccccc1Nc1ccccc1 95992152 MWASFSCVXMHIDB-UHFFFAOYSA-N 306.369 3.656 0 40 DHAB C[C@H](c1cccc(-c2ccc(N3CCOCC3)cc2)c1)N(C)C 96152899 GBDGVHOWXBCIDR-MRXNPFEDSA-N 310.441 3.813 0 40 DHAB CCSCc1ccnc(NC(=O)N(C)Cc2ccco2)c1 97107690 VWEJWOUSOMBUIT-UHFFFAOYSA-N 305.403 3.592 0 40 DHAB CCCc1c(C)nc2c(-c3ccc(OC)cc3)c(C)nn2c1O 102668241 VCOBABGIFIFQKG-UHFFFAOYSA-N 311.385 3.680 0 40 DHAB COc1cc(OC)c(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1Cl 102935306 WDKRKERMGMBUOO-GARJFASQSA-N 307.777 3.508 0 40 DHAB CC[C@@]1(C)CN(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)CCO1 190245967 PDXOXUHQBXEEHK-INIZCTEOSA-N 324.808 3.575 0 40 DHAB C[C@@](O)(CNC(=O)c1ccsc1)c1cc2ccccc2s1 217497807 JKNQTDMUPFEABM-MRXNPFEDSA-N 317.435 3.600 0 40 DHAB Cc1ccc(CNC(=S)Nc2ncc(Cl)cc2C)cc1 223942960 JSBHWXZFAHRTGT-UHFFFAOYSA-N 305.834 3.838 0 40 DHAB CCCCCNC(=O)c1ccc(OC)c(COCC(C)C)c1 224453884 QJLGPKNHEXDWNG-UHFFFAOYSA-N 307.434 3.788 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C 224599411 ZPDUCDOZCVGTGN-ZDUSSCGKSA-N 307.434 3.794 0 40 DHAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccccc1Cl 225597097 RPJYDIHHWBLANG-GFCCVEGCSA-N 315.800 3.636 0 40 DHAB C[C@H](O)c1ccc(C2(CNC(=O)c3ccco3)CCCC2)s1 225680284 LMHWQCFKCQTXRO-LBPRGKRZSA-N 319.426 3.636 0 40 DHAB NC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 226333494 ZDKCWYLYPCSQFK-XBXARRHUSA-N 305.736 3.557 0 40 DHAB c1ccc(C[C@H]2CSC3(COC3)N2Cc2ccccc2)cc1 253595961 LLLLZGBLYJZRDG-SFHVURJKSA-N 311.450 3.573 0 40 DHAB CO[C@@H]1CC[C@H]2N(C(=O)C3CCC(F)(F)CC3)CC[C@@]2(C)C1 257212386 CDFBKINYIVQACO-FMKPAKJESA-N 315.404 3.618 0 40 DHAB c1csc(CN2CCn3c(-c4ccsc4)cnc3C2)c1 306143695 YJKLFMWOLUCYFH-UHFFFAOYSA-N 301.440 3.689 0 40 DHAB CC[C@H](C)OCc1c(Br)cnn1CC(F)(F)F 408717203 WVYPOBLYDMLEKQ-ZETCQYMHSA-N 315.133 3.523 0 40 DHAB CC[C@@H]1C[C@@H](NC(=O)NCc2ccccc2CC(C)C)CCO1 528020867 DRBNPWXDAWEQNA-ZWKOTPCHSA-N 318.461 3.642 0 40 DHAB O=C(CCc1cccnc1)N[C@H]1CCCC[C@H]1CC(F)(F)F 576108695 BDNPJVKXUDFPGE-KBPBESRZSA-N 314.351 3.642 0 40 DHAB Cc1c(C(=O)O)csc1-c1cccc(CO[C@@H]2CCOC2)c1 581499998 ZZJDVQPGCSYFMZ-CQSZACIVSA-N 318.394 3.727 0 40 DHAB CCc1cccc(C)c1NC(=O)c1ccc(C2OCCO2)cc1 585101362 BQXGGWBCGHOJLZ-UHFFFAOYSA-N 311.381 3.855 0 40 DHAB O=C(c1ccc2ncsc2c1)N1CCC2(CC1)CC2(F)F 650599774 ANQLTQSEIYZOLA-UHFFFAOYSA-N 308.353 3.558 0 40 DHAB Cc1cncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 1888986381 HQTDGUYRGZHDQV-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB C[C@H]1CC(C)(C)Nc2ccc(I)cc21 2371471468 YFPKUACFOUIABW-QMMMGPOBSA-N 301.171 3.989 0 40 DHAB CCN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 29447 HCKFYWILXYYNHM-UHFFFAOYSA-N 309.475 3.955 0 40 DHAB O=C(C[C@@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 158139 MHOGUDWEFBUWFC-SECBINFHSA-N 301.984 3.644 0 40 DHAB O=C1N[C@H](c2c[nH]c3ccccc23)Nc2sc3c(c21)CCCC3 190676 HIFBJTRWHXFSOK-INIZCTEOSA-N 323.421 3.962 0 40 DHAB COc1ccc2c(c1)[nH]c1c(N3C[C@H](C)C[C@@H](C)C3)ncnc12 527595 XWIMOUQNTGZNBX-VXGBXAGGSA-N 310.401 3.602 0 40 DHAB COc1ccc(-c2cc3nc(C)c(C)c(N4CCCC4)n3n2)cc1 1332060 DNOILHPYAQGBTD-UHFFFAOYSA-N 322.412 3.622 0 40 DHAB COc1ccc(C(=O)c2cnc3cc4c(cc3c2C)OCO4)cc1 1395714 FOVKGWMMJGEVIV-UHFFFAOYSA-N 321.332 3.512 0 40 DHAB Cc1ccc(/C=C(\c2ccccc2)[C@H](CC(=O)O)C(=O)O)cc1 1621321 ZRVAPWLEIGHBCB-YTBHAWNYSA-N 310.349 3.711 0 40 DHAB O=c1c(O)c(-c2ccc([N+](=O)[O-])cc2)oc2ccc(Cl)cc12 3074562 QBOLRDKMWAFRIJ-UHFFFAOYSA-N 317.684 3.727 0 40 DHAB Cc1ccc(C)c(Cn2cc(SCC(N)=O)c3ccccc32)c1 4060948 DUXSCMBCMMOXII-UHFFFAOYSA-N 324.449 3.884 0 40 DHAB COc1ccccc1OCc1nnc(-c2ccccc2Cl)o1 4291790 AEQYZWCKFWDNNZ-UHFFFAOYSA-N 316.744 3.978 0 40 DHAB C[C@]12C[C@H](NC(=O)N1c1ccc(F)c(F)c1)c1ccccc1O2 4852734 MWJNVTDHVRIJIT-YOEHRIQHSA-N 316.307 3.734 0 40 DHAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/N=C(C)OC2=O)cc1OC 4997866 MFXWAGXUPSFQDT-PBJWJZLWSA-N 323.776 3.842 0 40 DHAB CC(=O)Nc1ccccc1OCC(=O)c1c(C)[nH]c2ccccc12 6560612 WWZRPTDWJLZQQL-UHFFFAOYSA-N 322.364 3.696 0 40 DHAB CC(C)Oc1ccccc1[C@@H](O)c1nnc(-c2ccccc2)o1 7003274 YWANYCBBNYRCQB-MRXNPFEDSA-N 310.353 3.606 0 40 DHAB O=C(CSc1nnc(C2CC2)o1)c1ccc2c(c1)CCCC2 7289841 VKSASPADEOIWFG-UHFFFAOYSA-N 314.410 3.801 0 40 DHAB Fc1ccccc1NC(=S)NCCSc1ccccc1 8150220 NPUMAZVDFOFXQT-UHFFFAOYSA-N 306.431 3.904 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 8798655 CRHBJTHLNIVRRN-UHFFFAOYSA-N 324.336 3.565 0 40 DHAB O=C(Nc1ccccc1N1CCCCC1)c1[nH]nc2c1CCCC2 8997693 SZSIFUJYRWTXDF-UHFFFAOYSA-N 324.428 3.531 0 40 DHAB COc1cc(CC(=O)Nc2cc(Cl)ccc2OC)ccc1C 9076917 KUEPEDSGHHFMJK-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB Cc1ccn2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)nc2c1 9378261 IFWNEMRPBQFLIV-UHFFFAOYSA-N 323.371 3.587 0 40 DHAB CC(C)CC(=O)Nc1nnc(CCCOc2ccccc2)s1 9668474 ILQUMCOGGZDGNU-UHFFFAOYSA-N 319.430 3.534 0 40 DHAB O=C(c1ccccc1F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503825 ACYIZFYZKFQQJU-ZDUSSCGKSA-N 323.371 3.722 0 40 DHAB COc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 12274381 QRQZXHQNHHXKKN-UHFFFAOYSA-N 311.362 3.522 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC(F)F)cc1 12751663 HYLXTJOIALYMIA-RISCZKNCSA-N 312.360 3.666 0 40 DHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCC2)cc1 12795336 FFKWAWHSFKVYNA-UHFFFAOYSA-N 322.408 3.664 0 40 DHAB O=C(NCCCOCc1ccccc1)c1cccc2cccnc12 13000931 SIRAMULVLFIRHQ-UHFFFAOYSA-N 320.392 3.572 0 40 DHAB CCCCNC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 13331649 QBFONGJSNGFXSF-UHFFFAOYSA-N 314.433 3.778 0 40 DHAB CC1CCC(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 14251812 XFVJVDSPOIWQHG-UHFFFAOYSA-N 309.475 3.841 0 40 DHAB Cc1nc(COc2ccccc2C(=O)NCCC(C)C)cs1 19309768 ZEZHFDXUJJUMMR-UHFFFAOYSA-N 318.442 3.806 0 40 DHAB CN(C)Cc1ccccc1CNC(=O)c1cccc2ccccc12 21938388 SDJJCJSGHJNSCY-UHFFFAOYSA-N 318.420 3.831 0 40 DHAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)C1CCCC1 28304508 RXDGVCBNRBJORW-UHFFFAOYSA-N 321.783 3.853 0 40 DHAB CCc1cc(C(=O)NCCCN(C)c2ccccc2)sc1C 30014767 WNJKIVWUERARHG-UHFFFAOYSA-N 316.470 3.875 0 40 DHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCc2ccccc2)c1 30864780 CAQJZSHITCTCEL-QGZVFWFLSA-N 311.425 3.738 0 40 DHAB COc1ccccc1Oc1ccc(NC(=O)c2cccnc2)cn1 31773477 UMYJQWFPTCWABY-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB CC(C)c1ccccc1NC(=O)Cn1ccc(C(F)(F)F)n1 36185050 CMCYNBKRXPPPHB-UHFFFAOYSA-N 311.307 3.664 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)nn1C(C)(C)C 36391643 UTYDTAZNCWHXAS-NSHDSACASA-N 321.371 3.716 0 40 DHAB CC(=O)c1cccc(N[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 40005409 RPQBOKGMJFXCFG-GJZGRUSLSA-N 324.424 3.610 0 40 DHAB OCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 40389147 JSCSNCYHPKGDMH-UHFFFAOYSA-N 318.376 3.761 0 40 DHAB CC1(C)Oc2ccc(NC(=O)CCC3CCCC3)cc2NC1=O 46088480 CVTLTLTUJUBFEL-UHFFFAOYSA-N 316.401 3.705 0 40 DHAB CC(C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 49535399 FCFSQMMWCVYBGS-UHFFFAOYSA-N 301.361 3.642 0 40 DHAB CCCOc1ccc(NC(=O)c2ccc(N)cc2Cl)cc1 51784966 ZOGTYZGUXNIEJB-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB Cc1nnc(CN2CCc3sccc3[C@H]2c2ccccc2)o1 52685587 WUXUFBJXZFUBOG-QGZVFWFLSA-N 311.410 3.587 0 40 DHAB Cc1ncsc1C(=O)N(C)Cc1cccc(C(F)(F)F)c1 55446073 CPTIWXYEROUCIU-UHFFFAOYSA-N 314.332 3.743 0 40 DHAB CC[C@H](Sc1nc(C)c(CC(N)=O)s1)c1ccccc1 58227698 RXDAGATYWGEVCU-LBPRGKRZSA-N 306.456 3.723 0 40 DHAB COc1cccc(SCC(=O)N(C)Cc2cccs2)c1 58264266 DBVSMPPIJXIXCG-UHFFFAOYSA-N 307.440 3.507 0 40 DHAB Cn1cc([C@@H]2C[C@@H]2C(=O)Oc2ccc(-c3ccccc3)cc2)cn1 63888347 MEUKTRUBRBVPNB-OALUTQOASA-N 318.376 3.796 0 40 DHAB CNC(=O)c1ccc(CN2CCC[C@H](c3ccccc3)CC2)cc1 66874086 UOGMQVAMDKBKGY-IBGZPJMESA-N 322.452 3.816 0 40 DHAB Cc1cc(C)c2c(N)c(-c3nc(-c4ccccn4)no3)sc2n1 69442743 JFGIZMSDGSWAKF-UHFFFAOYSA-N 323.381 3.607 0 40 DHAB Cc1noc(C)c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 69529566 AIYOTYWETOWBCQ-UHFFFAOYSA-N 316.376 3.525 0 40 DHAB O=C(NCc1ccccn1)Nc1ccccc1N1CCCCCC1 71902145 VFCLHROYBLJCAA-UHFFFAOYSA-N 324.428 3.784 0 40 DHAB Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)c(C)c1 71977993 FVCNZSXMQJFGBW-UHFFFAOYSA-N 319.364 3.738 0 40 DHAB COc1ccc(NC(=O)Cc2cn(C(C)C)c3ccccc23)cn1 72325449 IGYWTJFVGCRDSG-UHFFFAOYSA-N 323.396 3.807 0 40 DHAB biogenic OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2cccc(F)c2)C1 72406446 IYKZLLLLTWGPIR-CQSZACIVSA-N 311.316 3.787 0 40 DHAB Cc1c(Cl)ccc2c(Br)c(C(=O)O)cnc12 85386685 BFDWZLILZYGTBA-UHFFFAOYSA-N 300.539 3.657 0 40 DHAB COc1ccc(C)c(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 89646754 PSXFNSPEJPALLW-CQSZACIVSA-N 318.417 3.617 0 40 DHAB C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 95425042 YKGMDZKNLIYNCX-TZIYXEQSSA-N 309.365 3.602 0 40 DHAB CC(C)Cn1ccnc1CNC(=O)Nc1cccc(C(F)F)c1 95962280 AWOYUQLQDVDPAK-UHFFFAOYSA-N 322.359 3.798 0 40 DHAB COc1ccccc1[C@@H](C)Nc1ccc(CN2CCCC2=O)cc1 97037291 AHWKFFONHYXLNO-OAHLLOKOSA-N 324.424 3.991 0 40 DHAB CC[C@H](c1ccccc1)[S@@](=O)Cc1nnc(C(C)(C)C)o1 97083487 MEARQZRGIPEEDO-LRTDBIEQSA-N 306.431 3.767 0 40 DHAB Cc1nnc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)s1 101454163 YXVLFVQGYDXWKE-MOGXHWRCSA-N 305.447 3.782 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnn(Cc2ccccc2)c1 120731965 COASDXAGVKBUOO-OAHLLOKOSA-N 317.392 3.523 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224642682 OOUURECGGCJFFV-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccc(C)c(C)c2)c(C)c1 225177536 NSGTYFCQEOQIEA-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB Cc1ccc(CSCCNC(=S)Nc2ccncc2)cc1 225294821 LEAOLEZFOFNOHH-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB C[C@@H](CCN1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 225584723 ZTLYKZYTKZAMLB-ZWKOTPCHSA-N 317.473 3.698 0 40 DHAB CCC(C)(C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225645453 BYNNGCUTMPMNMC-UHFFFAOYSA-N 319.474 3.597 0 40 DHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCOC)cc1 225739537 YDVKTTZZUGODPZ-SFHVURJKSA-N 323.433 3.636 0 40 DHAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(Cl)cc1 227146754 ONGVFCKINMHTTL-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB OCC[C@@H](CN[C@@H](c1ccccn1)C1CCC1)c1ccccc1 585135024 UQAMHDPQYCDLLA-AZUAARDMSA-N 310.441 3.679 0 40 DHAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)OC(=O)C2 207150 KYWVTUZLEGHSQS-LJQANCHMSA-N 312.365 3.673 0 40 DHAB biogenic COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C)cc1C 574318 VMDUJYFOHISMEF-PKNBQFBNSA-N 311.381 3.973 0 40 DHAB Fc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)c(F)c1 609319 VILNIFLAIHXWIZ-UHFFFAOYSA-N 322.336 3.545 0 40 DHAB CC(C)OC(=O)c1nnsc1Sc1ccc(Cl)cc1 1401268 QZPYNJZHPMSPQU-UHFFFAOYSA-N 314.819 3.908 0 40 DHAB CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cc1 1451688 VZENLZRSTJKINR-INIZCTEOSA-N 322.408 3.802 0 40 DHAB C[C@H](CN1CCCC1)[C@@](O)(Cc1ccccc1)c1ccccc1 1726852 HAHXIOSXBVTRRT-NQIIRXRSSA-N 309.453 3.849 0 40 DHAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2ccccc2c1 2646475 DKBLHVKLAXEBMK-CXAGYDPISA-N 303.427 3.697 0 40 DHAB Cc1ccnc(SCC(=O)c2ccccc2Br)n1 3310513 FIIQRZCDUBYOCL-UHFFFAOYSA-N 323.215 3.523 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)Nc2cc(F)ccc2C)c1 3566345 IQNJKKREKMPWBW-WEVVVXLNSA-N 315.344 3.803 0 40 DHAB O=C(Nc1nnc(-c2ccco2)o1)c1cccc2ccccc12 4107305 UQDQVQDUVVDVNK-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB COc1cccc2c1Oc1nc(-c3ccc(C)cc3)nc(O)c1C2 4169826 VUAJAGWUCKXDTA-UHFFFAOYSA-N 320.348 3.863 0 40 DHAB CCc1cc2c(NCCCCCC(=O)O)nc(C)nc2s1 4476216 QGYAYXGEMGDBNO-UHFFFAOYSA-N 307.419 3.619 0 40 DHAB COc1ccc(/C=C(/C(=O)N2CCCC2)c2ccccc2)cc1 4551755 KPJLDXKQRWMCBX-XDJHFCHBSA-N 307.393 3.858 0 40 DHAB Fc1ccccc1Nc1cc(-c2ccccc2)nc2ncnn12 4897922 SSSXDRBHFFCOGJ-UHFFFAOYSA-N 305.316 3.674 0 40 DHAB COc1cccc(-c2c(N)oc3ccc(Cl)cc3c2=O)c1 5031603 IZQNNFOXNZPUBQ-UHFFFAOYSA-N 301.729 3.704 0 40 DHAB COC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 5727342 YQJPFSXFCOVVEX-UHFFFAOYSA-N 313.353 3.513 0 40 DHAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1 5841958 ZOCDBKYZHYLVRW-UHFFFAOYSA-N 300.333 3.673 0 40 DHAB COc1ccc(OC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 6815161 MGAVZANIMJIASI-AWEZNQCLSA-N 300.354 3.685 0 40 DHAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(F)cc1F 6920166 VFDHSVXYFUIXJI-UHFFFAOYSA-N 312.319 3.937 0 40 DHAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 7223476 KYOYMXJBVBVWOE-NSHDSACASA-N 304.777 3.788 0 40 DHAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccnc1 7239734 NOGAIZZSEGJOFA-UHFFFAOYSA-N 304.349 3.836 0 40 DHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(F)cc1 7942612 ZYDZPXRAKHGIQG-UHFFFAOYSA-N 317.408 3.866 0 40 DHAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 7967116 IMRUFOYRHJLRPV-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB CCc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 8772310 HQGGRNXGGKLDCV-UHFFFAOYSA-N 314.410 3.911 0 40 DHAB CCc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 9503659 WBIFPMFHEZUGJB-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB Cc1nc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2o1 13012047 ARPQLHRHIDJRTJ-UHFFFAOYSA-N 305.337 3.799 0 40 DHAB CN(Cc1ccc(C(N)=O)cc1)Cc1ccc2ccccc2c1 14014981 NULQFNFEMLBJCD-UHFFFAOYSA-N 304.393 3.571 0 40 DHAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(F)cc2)cc1 14232116 WTHUCCICNUIVBU-UHFFFAOYSA-N 323.371 3.885 0 40 DHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(F)cc1 14242737 DYQHJLIPBQUEBM-CQSZACIVSA-N 305.349 3.932 0 40 DHAB O=c1c2sccc2ncn1Cc1c(Cl)cccc1Cl 14372607 QJFVGZDCCKNVTB-UHFFFAOYSA-N 311.193 3.813 0 40 DHAB CC(=O)[C@@H](C)Sc1nnc2cc(C)c3cc(C)cc(C)c3n12 15831951 JPSYKTRAVVPQAP-CYBMUJFWSA-N 313.426 3.877 0 40 DHAB Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736530 ODZGFFLKOTTZLZ-GFCCVEGCSA-N 318.804 3.945 0 40 DHAB Cc1ccc(Cl)cc1N(C)C(=O)c1noc2c1CCCC2 20395539 RSGVKRVGWBZRGL-UHFFFAOYSA-N 304.777 3.792 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2ccccc2SC)c1 20447892 BSBZCMNTQFNGSS-UHFFFAOYSA-N 317.410 3.607 0 40 DHAB CN(C)C(=O)c1ccc(OCCSc2ccccc2)cc1 20460370 SEPFVERIKDBFSQ-UHFFFAOYSA-N 301.411 3.560 0 40 DHAB Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)O)n2n1 20605016 SGLZNJARJGUPQT-UHFFFAOYSA-N 322.151 3.710 0 40 DHAB CCc1nnc(C2CCN(C(=O)Nc3cccs3)CC2)s1 23140924 PHSANFZSFHABBC-UHFFFAOYSA-N 322.459 3.574 0 40 DHAB C[C@@H](NC(=O)C1CCOCC1)c1cc(F)c(Cl)cc1Cl 23272124 BUSBVYCIKMNNSE-MRVPVSSYSA-N 320.191 3.736 0 40 DHAB O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1)C1CC1 24443516 CZEJNVDIBCXFBY-UHFFFAOYSA-N 321.829 3.693 0 40 DHAB COC(=O)c1occc1CSc1nccn1-c1ccccc1 25968278 VBYGZRCLFLPNNH-UHFFFAOYSA-N 314.366 3.544 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)n1C 30115437 SIKHYSHNUOVSDQ-LLVKDONJSA-N 310.319 3.843 0 40 DHAB COc1ccc(NC(=O)C(C)(C)C)cc1OCc1cccnc1 31410941 SUTLGMMGHGTMEU-UHFFFAOYSA-N 314.385 3.654 0 40 DHAB CC(C)(C)NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1 32335816 LNTCFILHTCRHFN-RMKNXTFCSA-N 310.397 3.589 0 40 DHAB Cc1ccc([C@@H](NC(=O)Cc2noc3ccccc23)C2CC2)cc1 32865762 SZNHPBJXIFWOJJ-HXUWFJFHSA-N 320.392 3.946 0 40 DHAB COc1cccc(COCc2ccccc2Cl)c1C(=O)O 35973484 VUVNLYWTZLANIW-UHFFFAOYSA-N 306.745 3.764 0 40 DHAB O=C(NCc1ccccc1)c1cc2c(cn1)[nH]c1ccccc12 39156408 UELHMMFHGMFKGH-UHFFFAOYSA-N 301.349 3.646 0 40 DHAB O=C(CCc1csc(-c2ccncc2)n1)Nc1ccccc1 41182975 MMLAVENTXVRSSX-UHFFFAOYSA-N 309.394 3.776 0 40 DHAB Cc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)s1 44949398 XJVNJUUGCWIADV-UHFFFAOYSA-N 301.390 3.876 0 40 DHAB O=C(Cc1cccs1)Nc1cccc(CN2CCCC2)c1 47452082 NAYQGQZMPILPTA-UHFFFAOYSA-N 300.427 3.525 0 40 DHAB COC(=O)Nc1cccc(NC(=O)NCCC2=CCCCC2)c1 47710811 VPWQVICCWMUERV-UHFFFAOYSA-N 317.389 3.877 0 40 DHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC1CC1 47904041 VGUXUWZEAKMXGG-UHFFFAOYSA-N 322.767 3.925 0 40 DHAB NC(=O)c1ccc(CN[C@H](CC(F)(F)F)c2ccccc2)cc1 48782617 CTQCOZYFYMACGE-OAHLLOKOSA-N 322.330 3.569 0 40 DHAB CCOCc1ccccc1NC(=O)NCc1ccc(OC)cc1 52468851 MCSLOGJPNNFXTA-UHFFFAOYSA-N 314.385 3.553 0 40 DHAB Cc1ncsc1C(=O)O[C@@H](c1ccccc1)c1ccccn1 55113734 FJGPFJKRIZBMEZ-HNNXBMFYSA-N 310.378 3.793 0 40 DHAB C[C@H](c1ccc2ccccc2c1)N1CCC(NC(=O)C2CC2)CC1 56284317 CFIMKXITHSCNPU-OAHLLOKOSA-N 322.452 3.891 0 40 DHAB O=C(/C=C/c1ccccn1)N[C@@H](c1ccccc1)c1ccco1 58365650 BTVAMIXSOJDHLF-CVTTXWKISA-N 304.349 3.594 0 40 DHAB Cc1cc(N(C)Cc2ncccc2C)nc(-c2ccccc2)n1 65371399 AUSWRBBFBXAJLZ-UHFFFAOYSA-N 304.397 3.792 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2ccccc2Cl)ccc1F 66489584 DKWMGBIYVLVPPJ-UHFFFAOYSA-N 322.723 3.910 0 40 DHAB O[C@@H](CN(Cc1ccco1)C1CCCC1)c1ccc(F)cc1 71810999 FOPPUUIYQVRUFM-SFHVURJKSA-N 303.377 3.897 0 40 DHAB COc1ccc([C@@H]2CCN(C(=O)NC3CCCCCC3)C2)cc1 75166770 JHCZPXJYAYIWSW-MRXNPFEDSA-N 316.445 3.917 0 40 DHAB C[C@H](Nc1ccnc(-c2ccccc2)n1)[C@H](O)c1ccc(F)cc1 78620072 PWFXCELWXLVACJ-UGSOOPFHSA-N 323.371 3.817 0 40 DHAB C[C@@H](NCc1cc2ccccc2o1)c1cccc(-n2cncn2)c1 80241163 NWSQUTQMTFAKME-CQSZACIVSA-N 318.380 3.864 0 40 DHAB O=S(=O)(Cc1coc(-c2cccs2)n1)c1cccc(F)c1 83993319 JXWYDGLYCLCEJU-UHFFFAOYSA-N 323.370 3.516 0 40 DHAB Nc1nnc(SCCCCCCCCCCC(=O)O)s1 85392146 FMWMPJPCVYHVKQ-UHFFFAOYSA-N 317.480 3.808 0 40 DHAB CC(C)(C)[C@@H](CCO)NC(=O)Nc1ccccc1C(F)(F)F 95393405 LEUUFDOSBRIDKK-GFCCVEGCSA-N 318.339 3.624 0 40 DHAB O[C@@H](C[C@@H]1CCCCCN1Cc1ccccn1)c1ccco1 95413231 RALQCDQKKYIZEJ-IRXDYDNUSA-N 300.402 3.543 0 40 DHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2csc(C)n2)o1 96433136 BCOMUKSEIAOLLM-ABAIWWIYSA-N 318.442 3.895 0 40 DHAB Cc1ncccc1C(=O)N1CCc2c1cccc2C(F)(F)F 97115812 LNGXFPTWEXFNLL-UHFFFAOYSA-N 306.287 3.612 0 40 DHAB Cc1nnc(-c2cccc(C(=O)Nc3c(F)cccc3F)c2)o1 174144494 NYLCDQSSTRJDEW-UHFFFAOYSA-N 315.279 3.576 0 40 DHAB O=C(c1ccno1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206876014 YOXHNKTUAKHWIY-CYBMUJFWSA-N 304.777 3.738 0 40 DHAB COc1ccc(N(C)C(=O)c2cc(Cl)ccc2OC)cc1 222953469 VJRJVGNENBLPCG-UHFFFAOYSA-N 305.761 3.634 0 40 DHAB CCCNC(=S)Nc1ccc(Nc2ccc(C)cc2)nc1 223872656 NZMCUDLCDHOVEQ-UHFFFAOYSA-N 300.431 3.830 0 40 DHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)nc1C 225904651 ZRZKIVRJRKEDOB-QGZVFWFLSA-N 308.422 3.569 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1ccc([C@H](C)O)cc1 226273238 XBHUXWTXACLVLB-JTQLQIEISA-N 305.761 3.654 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(N)c(Cl)cc2Cl)C1 226301003 HYGYXKRQAXFLDX-RKDXNWHRSA-N 301.217 3.694 0 40 DHAB Cc1cc(NCc2ccccc2-c2ncc[nH]2)nc(C2CC2)n1 1515987924 KLRTVHULOZCNDO-UHFFFAOYSA-N 305.385 3.665 0 40 DHAB Cc1ccc2[nH]c(=O)c(-[n+]3ccccc3)c(-c3ccccc3)c2c1 194566 RDLDLNJBWAJVSJ-UHFFFAOYSA-O 313.380 3.780 0 40 DHAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 383741 CZNNCZCLRBXLRB-UHFFFAOYSA-N 311.120 3.941 0 40 DHAB CC1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 439313 XWTKOBFFAKWPID-UHFFFAOYSA-N 304.397 3.928 0 40 DHAB O=c1[nH]c(-c2cc(Cl)cc(Cl)c2O)nc2ccccc12 2525550 IZKYBVYMLNWKGE-UHFFFAOYSA-N 307.136 3.603 0 40 DHAB COc1ccc2c(CC(=O)Nc3ccccc3C(C)=O)coc2c1 3325760 CLYMSDOMCDQYAV-UHFFFAOYSA-N 323.348 3.825 0 40 DHAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nncs2)c(C)c1 3413233 BBYDVHCRPRLNMC-LLVKDONJSA-N 307.444 3.583 0 40 DHAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC1CCCCC1 4485039 GYZOLNHGWFSATI-UHFFFAOYSA-N 323.849 3.757 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)c(C)c1 5169601 SEZQCCJQMDBKEP-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB O=c1oc2ccccc2cc1C1=NN[C@H](c2ccccc2Cl)C1 5704900 NOSNEEQJMYUKIZ-HNNXBMFYSA-N 324.767 3.885 0 40 DHAB Cc1ccccc1-n1nc(C)c2c(=O)cc(-c3ccccc3)[nH]c21 5827712 CGTGYIVUVMGHPU-UHFFFAOYSA-N 315.376 3.998 0 40 DHAB CCOc1cc(C(=O)O)ccc1OCCOc1cccc(C)c1 5906566 HOCRDZNJFWSYJP-UHFFFAOYSA-N 316.353 3.550 0 40 DHAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 6315176 ZZUZYJFLIKJQQA-UHFFFAOYSA-N 307.802 3.630 0 40 DHAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC)C1=O 6356039 SNRKILLYMKFHGC-IWQAVIMZSA-N 305.399 3.920 0 40 DHAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](C)c2ccncc2)c1 6508228 NTIDJMZVNXVQOE-HNNXBMFYSA-N 310.397 3.539 0 40 DHAB O=C1C[C@@H](c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1 6662613 WURMLIHQUPDWQX-AWEZNQCLSA-N 306.340 3.924 0 40 DHAB CSc1ncc(Cl)c(C(=O)Nc2c(C)cccc2C)n1 6810422 FAEBJFWGHKKYEF-UHFFFAOYSA-N 307.806 3.721 0 40 DHAB Cc1ccc(C)c(C2=NN=C(NCc3ccccc3)SC2)c1 6839694 VZHGPHDJULOREC-UHFFFAOYSA-N 309.438 3.900 0 40 DHAB S=C(NCc1ccncc1)Nc1cc(Cl)cc(Cl)c1 7325649 NOXNIJGWSZNHID-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB Cc1ccc(C)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 7910545 QLYYAPUECNOUTL-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c(C)c1 8040571 QACCVBVTNBCTHU-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB CCOc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]2C1 8267415 WLKDIYJMYUEKKD-JKSUJKDBSA-N 316.445 3.536 0 40 DHAB CC(C)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 8716721 HWTXWALTBDBCNM-BOPFTXTBSA-N 320.417 3.580 0 40 DHAB CCCN1C(=O)CCc2cc(NC(=O)c3cccc(C)c3)ccc21 9107265 VURGHWXNFCQSAW-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB CCCCCn1c(SCC(=O)NC2CC2)nc2ccccc21 11487801 HRJDJPFDCXRAST-UHFFFAOYSA-N 317.458 3.597 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cn(C)c2ccccc12 12143993 HSFDAADITFXNSR-MGPUTAFESA-N 318.424 3.539 0 40 DHAB Cc1cc(-c2cnc(NC(C)C)nc2-c2cccs2)on1 12154281 JKPMQBMDTCSRMZ-UHFFFAOYSA-N 300.387 3.989 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCCO2)c1ccccc1 13097983 ZWPDXVUECQKPRV-GDXASINISA-N 323.392 3.739 0 40 DHAB O=C(c1ccc(Cl)cc1)c1ccc(O[C@@H]2CCCNC2)cc1 14631743 WGTGNCXIULQFAZ-QGZVFWFLSA-N 315.800 3.702 0 40 DHAB COc1ccc(-c2ccc(CNc3nc(C)n[nH]3)o2)cc1Cl 15085517 LRRXGBWHCDNCIZ-UHFFFAOYSA-N 318.764 3.647 0 40 DHAB Cc1cc(OCC(=O)N[C@@H](C)c2ccco2)ccc1C(C)C 17805094 LZROSDBBUYGVTN-AWEZNQCLSA-N 301.386 3.968 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1 20293362 LYJGYXUMKYKIHB-UHFFFAOYSA-N 322.177 3.860 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1C 22250604 OQMCYIWHFSKHNB-UHFFFAOYSA-N 303.789 3.977 0 40 DHAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1C 22540303 ZSCLDNRGHMJKGZ-CQSZACIVSA-N 321.417 3.790 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(NC(=O)CCc2ccco2)cc1 23042536 PPKHCZNBSXIIFS-UHFFFAOYSA-N 314.385 3.836 0 40 DHAB Cc1cccc2nc(C(=O)N3CCCSc4ccccc43)cn12 23228253 FLWDWFIDPKRHHJ-UHFFFAOYSA-N 323.421 3.785 0 40 DHAB Cc1nc2ccccc2nc1SCc1nc(-c2ccco2)no1 28192460 QZNKFKQFXLULAD-UHFFFAOYSA-N 324.365 3.874 0 40 DHAB CCn1cc(CN(C)C(=O)Nc2ccc(C(C)C)cc2)cn1 28222071 ZKNZEIGUBFTEKO-UHFFFAOYSA-N 300.406 3.690 0 40 DHAB CCCn1nc(C)cc1NC(=O)CCc1ccc(Cl)cc1 28306341 FCMHVCMZKLGXJY-UHFFFAOYSA-N 305.809 3.826 0 40 DHAB CCOc1cc(CO)cc(Br)c1O[C@H](C)CC 34772846 IHOMCXVTIBFMNL-SECBINFHSA-N 303.196 3.517 0 40 DHAB CC1CCN(Cc2ccc(C(=O)NCc3ccccc3)cc2)CC1 37547431 AVVAEKZIMWTVDW-UHFFFAOYSA-N 322.452 3.849 0 40 DHAB CCOc1ncccc1NC(=O)N1CCC[C@H]1c1ccsc1 40121123 LWWNSQNXJYBXMJ-AWEZNQCLSA-N 317.414 3.911 0 40 DHAB CCCCOc1ccc(CCNC(=O)C[C@H]2C=CCC2)cc1 40122369 CPOYSYARBDRHRD-KRWDZBQOSA-N 301.430 3.881 0 40 DHAB Cc1cc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)on1 44975783 GQVNTKYRMQONLG-MRXNPFEDSA-N 309.369 3.975 0 40 DHAB CCOCCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 44979343 DKRICLGGROXCRZ-UHFFFAOYSA-N 312.822 3.553 0 40 DHAB CC(C)OCc1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1 48361656 YRWPKUFBSMZHJT-UHFFFAOYSA-N 319.351 3.820 0 40 DHAB Cc1ccccc1OCCN(C)c1ncnc2cc(F)ccc12 49590296 MUUKYRKKDVUSSL-UHFFFAOYSA-N 311.360 3.593 0 40 DHAB CCC(=O)Nc1cccc(C(=O)NCCc2cc(C)ccc2C)c1 55195601 AAABBHIGFCGUEK-UHFFFAOYSA-N 324.424 3.624 0 40 DHAB Cc1ccccc1CCNC(=O)NCCCOC1CCCCC1 58755759 LPASUKIQEOEEDN-UHFFFAOYSA-N 318.461 3.576 0 40 DHAB CCN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1 66921929 HZBSHUROFFAJKQ-SFHVURJKSA-N 309.413 3.515 0 40 DHAB c1csc([C@H](NC[C@@H]2CNc3ccnn3C2)C2CCCC2)c1 69453546 QFUSBZWHHUKGIT-SUMWQHHRSA-N 316.474 3.507 0 40 DHAB COc1ccc(N(C(=O)CCc2nccs2)C(C)C)cc1F 69698440 VXCXKDFQGONSLC-UHFFFAOYSA-N 322.405 3.665 0 40 DHAB O=C(c1ccc(Cl)o1)N(CC(F)(F)F)c1ccccn1 71853677 ZEEARKFNPMKOLC-UHFFFAOYSA-N 304.655 3.537 0 40 DHAB O=C(NC1(c2ccc(Cl)cc2)CC1)[C@H]1C[C@@H]1c1cccnc1 71899813 VRNYYFAOXFIDEJ-CVEARBPZSA-N 312.800 3.644 0 40 DHAB CCCN1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214379 YAWHDDMFCOZZIY-CQSZACIVSA-N 305.422 3.976 0 40 DHAB Fc1ccc(OCc2nnc(SC/C=C/Cl)o2)cc1 72645567 IFVHTZAZFIZXPZ-LZCJLJQNSA-N 300.742 3.632 0 40 DHAB CS[C@H]1CCC[C@H]1N(C)C(=O)Nc1c(C)nn(C(C)C)c1C 78937532 IIYFGUWBSMFVLW-KGLIPLIRSA-N 324.494 3.829 0 40 DHAB CC(=O)c1ccc(OCc2nnc(Cc3ccccc3)o2)c(C)c1 84093734 JQKGECKBRWTZDC-UHFFFAOYSA-N 322.364 3.750 0 40 DHAB c1ccc(-c2ncc(CN3CCC[C@H]3c3ccc[nH]3)s2)nc1 89884668 ZQHCVWPYLKEHAN-INIZCTEOSA-N 310.426 3.870 0 40 DHAB Brc1cncnc1N1CCCC[C@H]2CCCC[C@@H]21 95457986 MQQLUAOERQWREA-YPMHNXCESA-N 310.239 3.788 0 40 DHAB Cc1ccccc1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 95644794 PGQPWTAQUAYJTE-UHFFFAOYSA-N 303.402 3.825 0 40 DHAB c1ccc2c(c1)[C@@H](c1cncnc1)CC21CCN(CC2CC2)CC1 96079262 QRCBRHDAQQSDGK-LJQANCHMSA-N 319.452 3.756 0 40 DHAB COC[C@H]1COCCC12CCN(Cc1ccc(Cl)cc1)CC2 96106321 CSYHOMQYTMJBJX-INIZCTEOSA-N 323.864 3.605 0 40 DHAB COc1cccc([C@H](C)CC(=O)N(C)C2CCC(OC)CC2)c1 96460705 OFQRGONFLMULRY-ODIFPOPNSA-N 319.445 3.605 0 40 DHAB C[C@@H](c1ccccn1)N(C)Cc1ccc(Oc2cnccn2)cc1 97058785 WXVORVUGCZAHBK-HNNXBMFYSA-N 320.396 3.857 0 40 DHAB CNC(=O)c1ccc(CNC2CCC(C(C)(C)C)CC2)cc1 97151462 RNKQDPLDRJQTCA-UHFFFAOYSA-N 302.462 3.741 0 40 DHAB O=C(O[C@H]1C[C@@H]2CC[C@@H]1C2)c1cc2cc(Cl)ccc2oc1=O 102202193 WFNNBYMHFRVTAR-FCHSOHFDSA-N 318.756 3.792 0 40 DHAB Cc1ccc(OCCNC(=O)Nc2ccccc2)cc1Cl 224117197 GDHSOKFAUPHIKP-UHFFFAOYSA-N 304.777 3.849 0 40 DHAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccccc1F 225782105 VCSILOUIGSQWBD-LBPRGKRZSA-N 304.390 3.580 0 40 DHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 250464625 FGLOMJVAZHMBEL-JKQORVJESA-N 301.430 3.882 0 40 DHAB CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 504441376 GAWKFSACFHWISS-QGZVFWFLSA-N 323.440 3.897 0 40 DHAB O=C(O)c1cccc(-c2ccccc2OC[C@H]2CCOC2)c1F 579259637 YXSOIECNLFYPPU-LBPRGKRZSA-N 316.328 3.606 0 40 DHAB O=C(C1CCC1)N1CCC[C@@H](Cc2ccnc3ccncc23)CC1 607854490 FDUIYCCJJWWBHO-OAHLLOKOSA-N 323.440 3.601 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN(Cc2cccnc2)C1 1888881977 FVSGSQMGCZLHTQ-UHFFFAOYSA-N 306.413 3.612 0 40 DHAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1 383055 YWFIXCGNWMHCTQ-AWEZNQCLSA-N 301.361 3.503 0 40 DHAB Cc1ccc2nc(-c3ccc(N4C(=O)C=CC4=O)cc3)sc2c1 1081317 CZQCIQYROQWOQJ-UHFFFAOYSA-N 320.373 3.701 0 40 DHAB O=S(=O)(O)c1ccc(O)c2cc(Nc3ccccc3)ccc12 1577004 AXBQRFCKHZGXSI-UHFFFAOYSA-N 315.350 3.536 0 40 DHAB COc1cc(C=O)ccc1OCCOc1ccccc1Cl 3290319 LDEHQDFYSLSZDD-UHFFFAOYSA-N 306.745 3.619 0 40 DHAB CCCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C(=O)O 5532604 RBDLKXJIZFHGMD-DLBZAZTESA-N 317.429 3.706 0 40 DHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccnc1 5769370 TURKVXCIYWGEJP-UHFFFAOYSA-N 313.357 3.520 0 40 DHAB CCC(CC)NC(=O)CSc1nc(C)c(C)n1CC(C)C 6606951 ZMIDKBQXKUCLEC-UHFFFAOYSA-N 311.495 3.553 0 40 DHAB c1ccc(CN(c2ccccc2)c2ncnc3[nH]cnc23)cc1 6953954 BZDLXVUKDQMUAD-UHFFFAOYSA-N 301.353 3.691 0 40 DHAB CC1CCN([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 7389328 CURFKFXQVWNFHH-LBPRGKRZSA-N 314.351 3.764 0 40 DHAB Cc1ccc(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 7958926 DGMCOCZKECKIJV-HNNXBMFYSA-N 315.800 3.516 0 40 DHAB CCCCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 8296758 HCVVQPHIMWIYQB-UHFFFAOYSA-N 301.415 3.541 0 40 DHAB Cc1ccc(-c2nc(C(=O)O)nn2-c2ccc(Cl)cc2)cc1 8730832 WJOJZDHOAWODLN-UHFFFAOYSA-N 313.744 3.594 0 40 DHAB CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC(C)(C)O3 8764961 MBCCFAAVLAZPSG-UHFFFAOYSA-N 300.354 3.798 0 40 DHAB biogenic Cn1cc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cn1 9313968 VEEIOSCPLWKVFX-VAWYXSNFSA-N 319.364 3.864 0 40 DHAB COCCCNC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 9790194 LXQPYQSVIIBXBL-QGZVFWFLSA-N 306.450 3.843 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2F)c2cnn(C(C)C)c2n1 10808899 IDTRAXZRFFXURT-UHFFFAOYSA-N 312.348 3.712 0 40 DHAB CN(C)c1ccc(CCNC(=O)c2cccc3ccccc23)cc1 11693621 DMGSYWACLWUDLM-UHFFFAOYSA-N 318.420 3.878 0 40 DHAB CC(=O)N[C@H](C)c1ccc(C(=O)c2cc3ccccc3o2)cc1 13007418 YWYHZIMIDALQDA-GFCCVEGCSA-N 307.349 3.861 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2cccnc12 14517363 JUDVKOXMYOBOES-LBPRGKRZSA-N 310.328 3.780 0 40 DHAB COC(=O)c1ccc(CSc2nccn2-c2ccccc2)cc1 25970742 FKGPCQHAWPYJCG-UHFFFAOYSA-N 324.405 3.951 0 40 DHAB Cc1ccc(-c2onc3ccc(-c4ccnc(N)n4)cc23)cc1 34004295 HQQXGHPTBZQCAG-UHFFFAOYSA-N 302.337 3.842 0 40 DHAB COc1ccnc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)n1 40004967 KTKZXUPRCGHNCV-UHFFFAOYSA-N 324.311 3.648 0 40 DHAB CCOc1ccc([C@@H]2CCCN2Cc2nnsc2Cl)cc1 40009494 DVIHFEWNNZDLRV-AWEZNQCLSA-N 323.849 3.927 0 40 DHAB CCOc1ncccc1NC(=O)N1CCC[C@@H]1c1cccs1 40121127 UAFXLLPSENRFJC-CYBMUJFWSA-N 317.414 3.911 0 40 DHAB COc1cc(CN(C)C(=O)Nc2cccc(C)c2C)ccc1O 43136646 OFWBDVDPOSQYNF-UHFFFAOYSA-N 314.385 3.682 0 40 DHAB CN(C(=O)Nc1nc2ccccc2s1)C(C1CC1)C1CC1 51191426 OGGVDALTWSFVRK-UHFFFAOYSA-N 301.415 3.949 0 40 DHAB CCn1c(CNCCc2c[nH]c3ccccc23)nc2ccccc21 54041172 VLMSWWRQUAAYJO-UHFFFAOYSA-N 318.424 3.870 0 40 DHAB O=[S@](Cc1cccc(F)c1)Cc1cc(-c2ccccc2)on1 57996419 MDAFFNHFQNZIHZ-QFIPXVFZSA-N 315.369 3.930 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc[nH]1 58066003 NNMHSHRZVWOTQY-SFHVURJKSA-N 307.397 3.792 0 40 DHAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)cc1 67898547 ZMVZYGQAIXYACF-INIZCTEOSA-N 317.820 3.513 0 40 DHAB biogenic,in-vitro Cc1cnn(C[C@@H](C)NCc2csc(-c3cccs3)n2)c1 69459487 WUYFCPIQVQWDED-GFCCVEGCSA-N 318.471 3.555 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C)c(C)o2)c1 74726444 ZVKBQUACDISDSQ-UHFFFAOYSA-N 307.733 3.589 0 40 DHAB CC[C@H](OC(=O)C1CCN(C(C)=O)CC1)c1cccc(Cl)c1 79014792 NLUDSXNCLYHUOG-INIZCTEOSA-N 323.820 3.593 0 40 DHAB COc1cccc([C@H](C)Sc2nncn2Cc2ccco2)c1 83595903 IFCJMKYUQRIQDE-LBPRGKRZSA-N 315.398 3.781 0 40 DHAB Cc1ccc(-n2cc(C)cn2)c(NC(=O)Cc2cccs2)c1 89618701 SJDCAEIPYXOXBN-UHFFFAOYSA-N 311.410 3.732 0 40 DHAB C[S@](=O)c1ccc(CN[C@H]2CCCc3sccc32)cc1 90220869 PUGUABGYFUOGDQ-MGPUTAFESA-N 305.468 3.653 0 40 DHAB FC(F)(F)[C@@H](Cc1ccccc1)NC1Cc2ccccc2C1 90456199 LCKVAIDGYYJJJO-QGZVFWFLSA-N 305.343 3.917 0 40 DHAB CC(C)C[C@@H](CN)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 94696947 GRANSQCOQUDLNC-MNOVXSKESA-N 317.260 3.792 0 40 DHAB Cc1cc(-c2noc([C@@H]3CCCNC3)n2)cc(C)c1OC(C)C 95095383 WRNRVRFRJWQOEZ-CQSZACIVSA-N 315.417 3.608 0 40 DHAB CC(C)Cn1ccnc1CN[C@H]1CCSc2ccccc21 95423175 KHNVCQXLAFICFX-HNNXBMFYSA-N 301.459 3.866 0 40 DHAB C[C@H](CSc1ccc(F)cc1)C(=O)N1C[C@H]2CC=CC[C@H]2C1 95964767 PYVQELVYBABQAQ-KFWWJZLASA-N 319.445 3.979 0 40 DHAB CSc1ccc([C@@H](C)NCCc2c(C)nn(C)c2C)cc1F 95967215 GMWWSLSUSNXSRH-LLVKDONJSA-N 321.465 3.791 0 40 DHAB C[C@@H](CSC(C)(C)C)Nc1cccc(-c2nncn2C)c1 95990908 PWJCIPJTAVNPNP-LBPRGKRZSA-N 304.463 3.814 0 40 DHAB CCc1nc(C(=O)Nc2cccc(Oc3ccncc3)c2)co1 96012014 DQIUHINCPJPZCT-UHFFFAOYSA-N 309.325 3.677 0 40 DHAB CCn1c(CN(C)Cc2csc(C)n2)nc2cc(F)ccc21 96403661 AEIAYFAMTDYKDQ-UHFFFAOYSA-N 318.421 3.592 0 40 DHAB Cc1cnc(CNC2(c3ccccc3Br)CC2)o1 96492251 ZILQJYKQRIXPBE-UHFFFAOYSA-N 307.191 3.524 0 40 DHAB COc1ccc(C)c(NC(=O)NC[C@H](C)c2nc(C)cs2)c1 97113379 JQBHFEBQWGLSAP-NSHDSACASA-N 319.430 3.694 0 40 DHAB Cc1cccc(C)c1Oc1ccccc1NCc1nncn1C 97233270 GQWDEISDPGJTPW-UHFFFAOYSA-N 308.385 3.836 0 40 DHAB Cc1cccc(C)c1NC(=O)c1cnn(Cc2ccccc2)c1 102707693 GHKXUFYHPCLXAK-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1 216886343 UPTRBOSTMRQJHB-DHZHZOJOSA-N 300.329 3.981 0 40 DHAB CCOc1cccc(C(=O)n2c(C)c(C=O)c3ccccc32)c1 216956642 FXJCQIDORKSTID-UHFFFAOYSA-N 307.349 3.849 0 40 DHAB CCCCCOC(=O)c1snnc1-c1ccc(OC)cc1 223836091 PJBRRBZINHFNKZ-UHFFFAOYSA-N 306.387 3.561 0 40 DHAB CC(=O)c1cccc(Nc2ccc(N)cc2C(=O)OC(C)C)c1 225483354 CPVKLVFKRODIPS-UHFFFAOYSA-N 312.369 3.780 0 40 DHAB CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1 225593696 WOIYRANNPQVAPA-JTQLQIEISA-N 314.223 3.976 0 40 DHAB CCCOc1ccc(NC(=O)C(C)(C)C)cc1C(=O)OCC 225785034 PVTKNCSDGHFIMY-UHFFFAOYSA-N 307.390 3.637 0 40 DHAB CCCO[C@@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@H](C)C1 225910945 MBKUBTMFPIPDBY-UGSOOPFHSA-N 320.433 3.713 0 40 DHAB CCC(CC)Nc1nc(Cl)nc2cc(OC)c(OC)cc12 228955504 UZNJRVLYTAPBPS-UHFFFAOYSA-N 309.797 3.901 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)cc1F 257211271 BYFPJDSACQTZRS-INIZCTEOSA-N 312.388 3.624 0 40 DHAB CCN1C(=O)S/C(=C\c2c(OC)ccc3ccccc23)C1=O 409069068 USLJCSLQDWOJIO-GDNBJRDFSA-N 313.378 3.905 0 40 DHAB Cc1nnc(CN[C@H](C)c2nc(-c3ccccc3)cs2)s1 541882218 QNVVDWXVWALPQZ-SNVBAGLBSA-N 316.455 3.821 0 40 DHAB c1cc2cc(CNCCc3nc4c(s3)CCCC4)ccc2[nH]1 566806861 XOYRHOIGYMMQAP-UHFFFAOYSA-N 311.454 3.836 0 40 DHAB O=C(Cc1cccnc1Cl)Nc1ccc(N2CCCC2)cc1 585131995 MNYQXBFSSJEOQD-UHFFFAOYSA-N 315.804 3.516 0 40 DHAB Fc1ccccc1[C@H]1C[C@@H](c2cccs2)Nc2ncnn21 221825 IBZIVOPVAKSJKU-QWHCGFSZSA-N 300.362 3.625 0 40 DHAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccccc1F 274022 OEDZBMOMZIGSEK-NTEUORMPSA-N 301.704 3.824 0 40 DHAB COc1ccc(Br)cc1C(=S)N1CCCCC1 306151 MJYHBGGSENNVSC-UHFFFAOYSA-N 314.248 3.619 0 40 DHAB Cc1ccccc1NC(=O)CSc1nc2ccccc2n1C 386102 AZVINOBCRSICNE-UHFFFAOYSA-N 311.410 3.613 0 40 DHAB Cc1noc(NC(=O)c2cccc(C(F)(F)F)c2)c1Cl 1403436 ANBGGXNXXLMVSR-UHFFFAOYSA-N 304.655 3.908 0 40 DHAB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1OC 2213934 MEVOPXDUXCKJAO-CHWSQXEVSA-N 307.390 3.551 0 40 DHAB O=C(NCc1cccnc1)c1ccccc1Oc1ccccc1 2774150 ZVEXDRZUXNEWEW-UHFFFAOYSA-N 304.349 3.804 0 40 DHAB C[C@H](NC(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1 3367730 XAVFYKYJMSRGPD-JTQLQIEISA-N 309.287 3.918 0 40 DHAB COc1ccc(-c2csc3ncnc(N4CCCC4)c23)cc1 3406896 HUBSQGTWIBQVHM-UHFFFAOYSA-N 311.410 3.967 0 40 DHAB CC1CCN(C[C@@H](O)CO[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3864488 GOJANQILHWLMMS-MKXGPGLRSA-N 311.510 3.557 0 40 DHAB CCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N 4136568 RLRCEHIDOIPZNJ-UHFFFAOYSA-N 317.245 3.544 0 40 DHAB COc1cc(NC(=O)c2cc3sccc3n2C)cc(OC)c1 4400756 INMDLCIVIMPGRT-UHFFFAOYSA-N 316.382 3.509 0 40 DHAB aggregator Fc1cccc(-c2nnn(Cc3cccc4ccccc34)n2)c1 5088811 ZCRDBKASXMXDCC-UHFFFAOYSA-N 304.328 3.681 0 40 DHAB CCc1cccc2c(C=O)cn(CC(=O)Nc3cccc(C)c3)c12 6285762 LYOZHFQPBVAWGC-UHFFFAOYSA-N 320.392 3.963 0 40 DHAB O=S(=O)(Nc1cccc2c1CCCC2)c1ccccc1F 6707129 KMYHCKGZRQAJBU-UHFFFAOYSA-N 305.374 3.505 0 40 DHAB CSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2)n1 6810418 KYGDUOYONIELEE-UHFFFAOYSA-N 314.197 3.758 0 40 DHAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2F)c(C)c1 7911307 LOIAGJHFJXIJMZ-UHFFFAOYSA-N 314.404 3.821 0 40 DHAB CCc1sc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1C 8429429 TULOIYYSQKHUCP-UHFFFAOYSA-N 303.383 3.878 0 40 DHAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccn2)cc1 9118826 RSDWDVKDZKKXMI-UHFFFAOYSA-N 323.352 3.518 0 40 DHAB CSc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccsc1 12751418 GXZVINPCQCESCM-LBPRGKRZSA-N 320.483 3.929 0 40 DHAB CC(C)(C)C(=O)NCCC(=O)Nc1ccccc1-c1ccccc1 12814355 NTUMLAOJRRZOJT-UHFFFAOYSA-N 324.424 3.845 0 40 DHAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C)cc1 12988076 GENCGURKRBPYER-OAHLLOKOSA-N 321.467 3.755 0 40 DHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc2[nH]cnc2c1 13133623 XBBSVRVHCXIBJP-UHFFFAOYSA-N 320.179 3.800 0 40 DHAB CSc1ncccc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 14245608 LYMFDKQGHGCBEN-BFHYXJOUSA-N 304.459 3.892 0 40 DHAB Cc1cc(O[C@@H](C)C(=O)NCc2ccco2)cc(C)c1Cl 14398474 DYPVKWVHJUMJLW-LBPRGKRZSA-N 307.777 3.634 0 40 DHAB COc1cc(C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1 17395723 SITVISZQKWFQTH-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NC1CCCCCC1 20110623 YSLVZCBWDXTDDB-QGZVFWFLSA-N 305.418 3.692 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2cccc(Cl)c2C)c1 20447815 JYKLNPSCZPZIKQ-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB C[C@@H](C1CC1)n1nccc1NC(=O)COc1ccc(Cl)cc1 21149204 HZPNEWHHGCDUPN-NSHDSACASA-N 319.792 3.525 0 40 DHAB Cc1cccc(C)c1OCCN1C(=O)[C@@H](C)CNc2ccccc21 21793525 QPQCTYQVNNJHNN-INIZCTEOSA-N 324.424 3.777 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 21988964 OSVMTWJCGUFAOD-ORERKPRQSA-N 302.414 3.973 0 40 DHAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)CCC(C)C)c1ccc(C)cc1 25349414 RKEHKCSRAHWVKU-YJBOKZPZSA-N 318.461 3.503 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 26894592 MPUGPCIUJYVPNB-IRXDYDNUSA-N 308.360 3.872 0 40 DHAB CCOc1cc2c(cc1NC(=O)CCc1ccco1)O[C@H](C)C2 29129859 DYYUQBYMZRSFDI-GFCCVEGCSA-N 315.369 3.573 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc(Cl)c(Cl)n1C 30585828 DAWVIDGNUMOVDI-UHFFFAOYSA-N 313.184 3.901 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1C 32481073 GOYQRSJXOXLIRX-OAHLLOKOSA-N 315.388 3.569 0 40 DHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cc(Cl)c[nH]1 32820510 NDOBIKGGSIRHSB-UHFFFAOYSA-N 323.868 3.587 0 40 DHAB Cc1c(C(=O)Nn2cnc3ccccc32)sc2ccccc12 32855785 SQWFZWYGLSLFFA-UHFFFAOYSA-N 307.378 3.943 0 40 DHAB O=C(NCC[C@H]1CCCO1)c1ccc(Oc2ccccc2)cc1 32908789 FHTNSFRYUILFTG-MRXNPFEDSA-N 311.381 3.778 0 40 DHAB Cc1cccc(CN2CCCN(c3ccc(C(=O)O)cc3)C2=O)c1 34798151 RIBGCEQMZCZAHA-UHFFFAOYSA-N 324.380 3.526 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 36892683 OEJOWZHPVHNTPQ-JLSDUUJJSA-N 317.429 3.553 0 40 DHAB Cc1cc(C)c(NC(=O)NCCCOCC2CC2)c(Cl)c1 40024013 LIUNDYMBORTCMH-UHFFFAOYSA-N 310.825 3.895 0 40 DHAB C[C@@H](NC(=O)N1CCC[C@H]1c1ccsc1)c1ccccn1 43181380 CFWUOMGJGFRYAB-DOMZBBRYSA-N 301.415 3.751 0 40 DHAB CC(C)Oc1cccc(CNC(=O)Cc2ccc(Cl)cc2)c1 46656159 WQVOPLADJHVEJH-UHFFFAOYSA-N 317.816 3.986 0 40 DHAB COc1ccc(-n2ccnc2SCc2cnc(C)s2)cc1 58343430 CYOOKZBSOCKUMC-UHFFFAOYSA-N 317.439 3.938 0 40 DHAB CCN(CC)[C@@H](CNc1ncnc2ccsc12)CC(C)C 58621084 CDJQXCYKZDWLDN-CYBMUJFWSA-N 306.479 3.860 0 40 DHAB Cc1c([C@@H](C)NCc2cscn2)cnn1-c1ccc(F)cc1 67504614 FEPGWBXZCJTUHP-LLVKDONJSA-N 316.405 3.627 0 40 DHAB CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2nncs2)o1 71916273 JHFAXUBLPIALHU-LBPRGKRZSA-N 320.418 3.843 0 40 DHAB Cc1nccn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 72182841 RPCJYJXLCUKQSI-UHFFFAOYSA-N 307.275 3.914 0 40 DHAB CC(=O)N1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 72212054 CVPWDMYVWYDBEL-SFHVURJKSA-N 310.397 3.734 0 40 DHAB C[C@@H](CCc1ccccc1)NS(=O)(=O)CC1CCCCC1 72230343 QHAHRNJXMHNOGJ-HNNXBMFYSA-N 309.475 3.507 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)c1cc(-c2ccco2)cs1 72243227 QXBDAOZFBNBSHS-UHFFFAOYSA-N 301.371 3.611 0 40 DHAB O=C(Nc1ccccc1Cl)c1ccc(-c2ccccc2)[nH]c1=O 72451260 IVJGGJSLSPKLMA-UHFFFAOYSA-N 324.767 3.948 0 40 DHAB C[C@@H](NC(=O)c1cscn1)c1ccc(-c2ccncc2)cc1 74295979 VTPAJZFBXMCFGR-GFCCVEGCSA-N 309.394 3.696 0 40 DHAB COc1ccc(C[S@@](=O)[C@@H](C)c2ccccc2F)cc1F 78556198 UWPGOQDMEPMPST-MQJDWESPSA-N 310.365 3.983 0 40 DHAB COC(=O)Nc1cccc(NCc2ncc(C(C)(C)C)o2)c1 85273289 PVECHFUFOXJMCH-UHFFFAOYSA-N 303.362 3.763 0 40 DHAB CC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1c(C)noc1C 90887428 FZUXCABVHGZIBJ-QMTHXVAHSA-N 302.374 3.822 0 40 DHAB COC(=O)N(C)c1ccc(OCc2cnc(Cl)s2)cc1 95444803 QSJNITCVHMNGPA-UHFFFAOYSA-N 312.778 3.578 0 40 DHAB CCN(Cc1ccc(OC)cc1)Cc1nc2c(F)cccc2[nH]1 95947419 ISXDFWGHEPSAAC-UHFFFAOYSA-N 313.376 3.733 0 40 DHAB CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1)c1ccccc1 95954139 GDDYNPQDWQEIBF-SFHVURJKSA-N 324.424 3.919 0 40 DHAB C[C@]1(NC(=O)COc2ccccc2F)CCCc2ccccc21 95958478 GOHWIDVHPUUJBS-IBGZPJMESA-N 313.372 3.572 0 40 DHAB NCC1CCC(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 95963335 UMMAKJJUDSYNOK-UHFFFAOYSA-N 320.864 3.596 0 40 DHAB Cc1cccc(C)c1CNc1ccccc1N1CCC(O)CC1 96414770 AEBPUULTHCVTBT-UHFFFAOYSA-N 310.441 3.877 0 40 DHAB Cc1cccc(C(=O)N(Cc2ccccn2)c2ccncc2)c1F 97049490 JJQIUIMAYPNEED-UHFFFAOYSA-N 321.355 3.771 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COCC(C)C 224734046 UFCJKRFHPBYFTD-CQSZACIVSA-N 307.434 3.786 0 40 DHAB C[n+]1cc(Br)cc(-c2nc3ccccc3s2)c1 226774251 SWLPFSQKYDOTBY-UHFFFAOYSA-N 306.208 3.550 0 40 DHAB CCOC(=O)c1cc(Br)sc1C(F)(F)F 242687688 UPZSOIXZRHNQGA-UHFFFAOYSA-N 303.099 3.706 0 40 DHAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCC[C@@]31C2 257296010 RAVHOPMXZQXHGA-PGYIJGINSA-N 307.478 3.769 0 40 DHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccoc1 606440683 PNCYTYMAPQQRPZ-LLVKDONJSA-N 319.407 3.533 0 40 DHAB Cc1nc2c(NC(=O)c3cccc4cnccc34)cccc2o1 1540145020 OWJUOYOUEYFPQM-UHFFFAOYSA-N 303.321 3.937 0 40 DHAB O=C(C[C@@H]1CCC[C@H]1C(=O)O)c1cccc(Br)c1 2574432 DTACUJOMFXBPGV-JOYOIKCWSA-N 311.175 3.523 0 40 DHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)O 2650098 BELUEBJZBIVMOB-UHFFFAOYSA-N 319.575 3.898 0 40 DHAB Cc1ccc(O)c(NC(=O)c2noc3c2CCc2ccccc2-3)c1 3909434 OEGADVWUTAWBMO-UHFFFAOYSA-N 320.348 3.707 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1 4265068 XCJQZWGRLWEKCK-UHFFFAOYSA-N 322.368 3.681 0 40 DHAB O=C(c1cccc(F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 4314928 DFRMSLYJSQWZTI-UHFFFAOYSA-N 323.371 3.722 0 40 DHAB O=C(NCCSCc1c(F)cccc1Cl)c1ccco1 4373805 ZXUSPMPOZADQTK-UHFFFAOYSA-N 313.781 3.735 0 40 DHAB Cc1cc(C(=O)C[S@@](=O)c2ccc(Cl)cc2)cc(C)c1O 4489552 UKOMYYLJWKQJPT-NRFANRHFSA-N 322.813 3.653 0 40 DHAB Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)cc2)s1 5012098 WGZITJUSPHQJSC-UHFFFAOYSA-N 313.357 3.784 0 40 DHAB CN(C)CCCN1c2ccccc2Sc2ccc(O)cc21 5317531 YMVFQWULFRMLRA-UHFFFAOYSA-N 300.427 3.947 0 40 DHAB in-vitro COc1ccc(CCC(=O)NCc2cccc(Cl)c2)cc1 5679228 XSAUYJUFAXGMKT-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)c1c[nH]c2ccccc12 7289838 ZKCOGBOZIXGNOW-SECBINFHSA-N 313.382 3.792 0 40 DHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 7718748 NLFBLHQVUIFWML-GFCCVEGCSA-N 317.772 3.949 0 40 DHAB COC(=O)c1ccccc1Oc1ncnc2sc(C)c(C)c12 8119844 XDEVQQMRZWRWOH-UHFFFAOYSA-N 314.366 3.887 0 40 DHAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 8556161 ULOBCMYGARHHPB-UHFFFAOYSA-N 302.418 3.734 0 40 DHAB Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 8869127 ZJEPIBUJOXEXLJ-UHFFFAOYSA-N 308.337 3.668 0 40 DHAB COc1ccc(NC(=O)CCCc2cccs2)c(OC)c1 9834609 LMMJYFHUTNBICA-UHFFFAOYSA-N 305.399 3.727 0 40 DHAB CN(C)[C@@H](CNC(=O)c1cccc2ccccc12)c1ccccc1 10328160 BUADKQDGOCCPMJ-FQEVSTJZSA-N 318.420 3.873 0 40 DHAB C[C@@H](NC(=O)Nn1cnc2ccccc21)c1cccc(Cl)c1 10402524 OUOATEUQKXIWEC-LLVKDONJSA-N 314.776 3.704 0 40 DHAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)C2CC2)cc1 10682599 QOJRZLRRJDEMBS-GOSISDBHSA-N 315.438 3.733 0 40 DHAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N[C@@H](C)CC 11614075 GYZFHOVWSLCVJZ-AWEZNQCLSA-N 313.463 3.559 0 40 DHAB CCCCOc1ccc(-c2nonc2NC(=O)CC(C)C)cc1 11914170 ZNEWSJQNFFYCHX-UHFFFAOYSA-N 317.389 3.900 0 40 DHAB O=C(CSc1ccncc1)Nc1ccc(Br)cc1 12536469 COYUIZOIOAENHY-UHFFFAOYSA-N 323.215 3.575 0 40 DHAB O=C(Nc1ccncc1)c1cccnc1Sc1ccccc1 12728124 HWUMOAQTSONZNU-UHFFFAOYSA-N 307.378 3.880 0 40 DHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc(F)cc1 12759817 QOLKNBLAOTWCRF-OAHLLOKOSA-N 313.328 3.532 0 40 DHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 12896503 WGYUFWSJYAQPOM-GFCCVEGCSA-N 317.772 3.949 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)CCO2 12972644 YSNDMHGWOCTRSE-UHFFFAOYSA-N 306.365 3.674 0 40 DHAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC1CCCC1 14171172 DBBHEBBVARXDNI-UHFFFAOYSA-N 315.266 3.970 0 40 DHAB Cc1cccc(C)c1NC(=O)c1cccc(N2CCCC2=O)c1 15544692 JLQOHPBIIYNESA-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)NCC2 20494239 ZYOYWVGCPUFRIB-KRWDZBQOSA-N 321.779 3.731 0 40 DHAB Cc1ccc2c(CC(=O)Nc3ccc(N(C)C)nc3)coc2c1C 22394691 BOTLLUVFZQZYBZ-UHFFFAOYSA-N 323.396 3.692 0 40 DHAB Cc1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)co1 22538288 DRQIKFMHUNNGSD-UHFFFAOYSA-N 306.365 3.826 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2Br)cc1F 22863368 ZFQXFCMXZNCRMX-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB CN(CCC(=O)N1CCc2ccccc21)[C@H]1CCc2ccccc21 26915779 JQWQFYMXVAOHOF-FQEVSTJZSA-N 320.436 3.585 0 40 DHAB COc1ccccc1C(=O)N(Cc1ccco1)Cc1ccco1 28231876 XAIPWTGETWTPMB-UHFFFAOYSA-N 311.337 3.724 0 40 DHAB COc1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 32097136 HJBCRWCMLZTPSR-UHFFFAOYSA-N 314.772 3.942 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)NC1(c2ccccc2)CCC1 32843447 OAQXVSXCUPZPLG-UHFFFAOYSA-N 304.393 3.906 0 40 DHAB CC(C)(C)CC(=O)NCc1cccc(OCc2ccccn2)c1 32930610 QUXHNPKHVLRFQQ-UHFFFAOYSA-N 312.413 3.713 0 40 DHAB CC1(C)Cc2ccccc2-c2nnc(SCc3cccnc3)n21 35315056 OADHJOYFDHGKSS-UHFFFAOYSA-N 322.437 3.924 0 40 DHAB COc1ccc([C@@H](O)c2ccc(Br)cc2)c(OC)c1 40243316 SGLPPTHLVWQNJZ-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB COc1ccc([C@H](O)c2cccc(Br)c2)cc1C 40262435 AMZOYJPXKAEUPJ-OAHLLOKOSA-N 307.187 3.848 0 40 DHAB O=C(NC1CCCCCC1)c1snnc1-c1ccccc1 40286543 HGHAXKXQVZRCSS-UHFFFAOYSA-N 301.415 3.658 0 40 DHAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cccc(OC)c1 40945951 PJNXOXHUIVGKIQ-GJZGRUSLSA-N 307.434 3.795 0 40 DHAB CCc1cc(Br)ccc1OCCC1CCNCC1 42770194 VKOPOGIGIUKBNN-UHFFFAOYSA-N 312.251 3.780 0 40 DHAB Cc1ccc(CNC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 48235041 XEILEFLSWIJUHS-UHFFFAOYSA-N 319.408 3.744 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1 51354300 IGEKWZLDCLFCFW-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB CCOc1ncccc1NC(=O)N[C@H](c1ccccc1)C1CC1 58086258 BTLUYZKMDQESRE-MRXNPFEDSA-N 311.385 3.753 0 40 DHAB CCCN(CCc1ccccn1)C(=O)c1cc2ccccc2[nH]1 61435675 FHZSEHWJQRBJRP-UHFFFAOYSA-N 307.397 3.658 0 40 DHAB CCCCN(C)CC1CCN([C@H](C)c2nc(C(C)C)no2)CC1 66960606 BZPJZABACCAUGE-OAHLLOKOSA-N 322.497 3.698 0 40 DHAB CS[C@@H](C)C(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 69586605 YVTWTLKZHNPGQW-LRDDRELGSA-N 318.417 3.520 0 40 DHAB Cc1c[nH]nc1[C@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 72386318 HLSPDTTXCAIIFW-CYBMUJFWSA-N 311.376 3.597 0 40 DHAB CSCC[C@](C)(O)CNC(=O)Nc1ccc(C(C)(C)C)cc1 75157690 BIKZHDALTKGMKM-KRWDZBQOSA-N 324.490 3.610 0 40 DHAB CCOc1ccc(CNC(=O)CC2CCCCC2)cc1OC 80343763 BWGDIGWMMMFZMT-UHFFFAOYSA-N 305.418 3.681 0 40 DHAB Cc1[nH]c2ccccc2c1C1CCN(CCC(C)(C)O)CC1 81666776 ZYNNNPWLRPGUAV-UHFFFAOYSA-N 300.446 3.817 0 40 DHAB COc1cc(C)ccc1NCc1noc(Cc2ccccc2)n1 89623541 BCVALAALWFYRLG-UHFFFAOYSA-N 309.369 3.590 0 40 DHAB COCCSCc1cccc(NC(=O)N(C)C2CCC2)c1 95403951 FBXKDBYQBJFCOG-UHFFFAOYSA-N 308.447 3.582 0 40 DHAB c1ccc(N2CCC[C@]3(CCN(Cc4cccs4)C3)C2)nc1 96216621 FNNJLNSPGQIVNU-GOSISDBHSA-N 313.470 3.636 0 40 DHAB c1ccc2c(c1)CN(c1ncnc3sc4c(c13)CCC4)CCO2 97477307 LYJQQXFMBBRDNX-UHFFFAOYSA-N 323.421 3.579 0 40 DHAB O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc2ccccc2c1 100564943 WBIAYYHZLRKPOM-HZPDHXFCSA-N 311.768 3.862 0 40 DHAB Cc1oc(-c2ccco2)nc1CN[C@@H]1CC(C)(C)OC1(C)C 119897186 YUKFFBMWHGDCHT-CQSZACIVSA-N 304.390 3.679 0 40 DHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC1CCCCC1 140512066 PGYDBUFIOSITIB-UHFFFAOYSA-N 316.376 3.862 0 40 DHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cnc(OCC)c(C)c1 225904926 JLCNRTBXQKBHCT-GOSISDBHSA-N 322.449 3.959 0 40 DHAB Oc1c(Br)cc(-n2cccc2)cc1Br 226245116 LEIBCQMVMNOOSN-UHFFFAOYSA-N 316.980 3.708 0 40 DHAB Cc1csc(C(=O)NCc2nccnc2-c2cccs2)c1 575621046 UHTFMBAMKMONLT-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB O=Cc1nc(Br)c(-c2ccc(Cl)c(Cl)c2)[nH]1 1857794922 WGLRTEMHTNCSCQ-UHFFFAOYSA-N 319.973 3.959 0 40 DHAB O=c1c(Cl)c(Cl)cnn1-c1cc(Cl)cc(Cl)c1 153126 UBKUOBNFCOTJAD-UHFFFAOYSA-N 309.967 3.846 0 40 DHAB COc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1 208733 ZROYIGLGNVASSV-UHFFFAOYSA-N 311.381 3.835 0 40 DHAB Cc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)cc1C 252048 DXLKWSGKISRBOK-CQSZACIVSA-N 305.381 3.700 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)N1CCc2ccccc21 272381 CCGIEVLTIWWBPL-UHFFFAOYSA-N 322.191 3.962 0 40 DHAB C[C@@H](CN1CCCC1)OC(=O)c1ccc(Cl)cc1Cl 383061 IILDXKCGGVSCJN-JTQLQIEISA-N 302.201 3.635 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)NC1CCCCC1 587261 JLYPQPRHDIOWMN-UHFFFAOYSA-N 302.201 3.821 0 40 DHAB COc1ccc(-c2cnc(NCc3ccccc3F)n2C)cc1 819126 NKLUMAWVKVHSHE-UHFFFAOYSA-N 311.360 3.847 0 40 DHAB O=C(O)C(CCOc1ccccc1)CCOc1ccccc1 1654139 CQNDIWDWPGGQRV-UHFFFAOYSA-N 300.354 3.625 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 1670896 ZOYIQOXVNKROHS-UHFFFAOYSA-N 317.193 3.902 0 40 DHAB COc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1 3124572 UCFXOHXMTFXUIM-UHFFFAOYSA-N 315.213 3.765 0 40 DHAB biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ncnc2ccccc12 3263564 VYWPWDJDNVEWIM-CHWSQXEVSA-N 315.442 3.511 0 40 DHAB C[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 3354573 RHBSBJVODWGSLF-SNVBAGLBSA-N 309.287 3.918 0 40 DHAB Cc1ccc(C(c2ccc(C)o2)c2cc3c(cc2N)OCO3)o1 3850583 KBKHKSVSYINGLX-UHFFFAOYSA-N 311.337 3.981 0 40 DHAB biogenic CC[C@@H](C(=O)OC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 4028067 CVYSRSDCXNYQOA-IPMKNSEASA-N 315.457 3.988 0 40 DHAB biogenic Fc1ccc(OCCOCCOc2cccc3[nH]ccc23)cc1 4050198 TXBUTRJMJOQAAS-UHFFFAOYSA-N 315.344 3.781 0 40 DHAB CC[C@@H](C)c1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 6086784 GAXVHDAOYMUGRJ-CQSZACIVSA-N 320.392 3.793 0 40 DHAB Cc1ccc(OCCC(=O)N[C@H]2CCCc3ccccc32)cc1 7141310 RSUPRIPIWQKOFS-IBGZPJMESA-N 309.409 3.958 0 40 DHAB CC(C)CNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 8188889 CDSLFJJFFPEECL-UHFFFAOYSA-N 324.424 3.644 0 40 DHAB CCC[C@@H](O)c1nc2ccccc2n1Cc1ccccc1OC 8587082 CVYALFODGUJFBA-QGZVFWFLSA-N 310.397 3.927 0 40 DHAB Cc1ccc2nc(SCc3cn4c(C)cc(C)nc4n3)[nH]c2c1 8684507 IDCSRADVGVLART-UHFFFAOYSA-N 323.425 3.823 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1 9515252 QAOWHLRADQSLCT-UHFFFAOYSA-N 307.397 3.854 0 40 DHAB COCCN(Cc1cccs1)C(=O)Nc1ccc(C)cc1 11562293 DHAMSSBKVRPMGJ-UHFFFAOYSA-N 304.415 3.737 0 40 DHAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1ccccc1O 11572227 NVUSQACDWHDUBT-UHFFFAOYSA-N 324.424 3.872 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@@H](C)C1 12552802 OSMFGEXFFFJHDF-GFCCVEGCSA-N 315.392 3.500 0 40 DHAB Cc1cc(C)cc(CSc2nc3ccccc3c(=O)n2C)c1 12766220 NMPFIUFXFYVVIV-UHFFFAOYSA-N 310.422 3.843 0 40 DHAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cccn1 12849827 MKKJAWNBOVAFLR-QMMMGPOBSA-N 317.698 3.755 0 40 DHAB O=C(COc1ccccc1Cl)N1CC[C@@H]2CCCC[C@@H]2C1 13069582 DRJYAMRSZYAQQX-UONOGXRCSA-N 307.821 3.758 0 40 DHAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccnc1Cl 14258532 VHFUDHXPYKLVGH-UHFFFAOYSA-N 323.783 3.973 0 40 DHAB C[C@]12C=Cc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 14918954 JEKMKNDURXDJAD-HPKZOHMWSA-N 314.425 3.720 0 40 DHAB endogenous,in-man O=C(NC1CCCCCCC1)c1cncc(Br)c1 15080962 ZDELMJUFMPKMIQ-UHFFFAOYSA-N 311.223 3.687 0 40 DHAB COc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(C)cc1)CC3 15842117 SZYOJRJEGIYJOQ-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB O=C(Nc1ccccc1Br)c1ccnc(Cl)c1 19813478 HMTXVKOSCWGQDQ-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)O)cc1)CC3 19881114 ONBCJNLIOXDNDN-UHFFFAOYSA-N 320.348 3.636 0 40 DHAB O=C1CC2(CCCCC2)Oc2c1ccc1c2CN(C2CC2)CO1 20731852 LNCQIVYVRHOWJG-UHFFFAOYSA-N 313.397 3.669 0 40 DHAB Clc1ccc(/C=C/c2nn3c(C4CC4)nnc3s2)cc1 20745005 PVECYKSREVWYJY-FPYGCLRLSA-N 302.790 3.887 0 40 DHAB Cc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1 21355237 YEYJTCKWAPFVSL-UHFFFAOYSA-N 300.305 3.652 0 40 DHAB CC[C@H](C(=O)NCc1cc(-c2ccco2)on1)c1ccccc1 22768616 ZIEYWMTVEPDHRZ-HNNXBMFYSA-N 310.353 3.745 0 40 DHAB Cc1cccc(NC(=O)NCCc2ccc3c(c2)CCCN3C)c1 23144037 ACWOACMJKQAPAQ-UHFFFAOYSA-N 323.440 3.742 0 40 DHAB COC(=O)c1cc(-c2ccco2)nc2c1cnn2C1CCCC1 32743359 CWJACKYTHRWWPK-UHFFFAOYSA-N 311.341 3.593 0 40 DHAB C[C@H](C(=O)O)c1ccc(Sc2ccccc2)c(CC(=O)O)c1 34006851 HCKQCCUGCHJSOS-NSHDSACASA-N 316.378 3.653 0 40 DHAB CCCCCCNC(=O)Nc1ccccc1Cn1cccn1 44270542 FRCVAWRHXHABNM-UHFFFAOYSA-N 300.406 3.633 0 40 DHAB C=Cc1ccc(Cn2nc(-c3ccccc3OC)ccc2=O)cc1 44902022 FSNGMPQDLQCUAY-UHFFFAOYSA-N 318.376 3.610 0 40 DHAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(N(C)C)cc2C)o1 46030831 YLGYOXZIVPHXFH-ZDUSSCGKSA-N 301.390 3.845 0 40 DHAB CC(C)(C)c1ncc(C(=O)N2CCc3sccc3C2)s1 49315395 BFJBKZKFZJTPOV-UHFFFAOYSA-N 306.456 3.701 0 40 DHAB COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)c(OC)c1 49750474 KBPJGHJTHCIBRC-UHFFFAOYSA-N 313.397 3.911 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1Cl 57340320 CNBFKXGWXLQIMS-UHFFFAOYSA-N 320.776 3.582 0 40 DHAB Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc21 58054606 UQBJXFWNRGBWRN-LBPRGKRZSA-N 314.772 3.713 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@H]1c1cccs1 71830422 XUXVCHBNCHVYSV-LBPRGKRZSA-N 324.833 3.994 0 40 DHAB C[C@@H]1CCC[C@@H](N(C)C(=O)c2coc(Br)c2)C1 78270056 VXLQFEMFBXXAOQ-MWLCHTKSSA-N 300.196 3.693 0 40 DHAB FC(F)(F)c1ccccc1CN1CCC[C@@H](c2ccn[nH]2)C1 84504680 YDCZYQXIIKZQCL-CYBMUJFWSA-N 309.335 3.808 0 40 DHAB Cn1cc(CNc2cccc(COCCc3ccccc3)c2)cn1 89755796 SCSHJCFSDYCKLV-UHFFFAOYSA-N 321.424 3.792 0 40 DHAB FC(F)Oc1c(Br)cccc1Br 95215765 LWMNXLMNERFLAL-UHFFFAOYSA-N 301.912 3.813 0 40 DHAB in-vitro CCCC(=O)Nc1cccc(NCc2cn3ccccc3n2)c1 95409491 ZPVRKVNRDROMFN-UHFFFAOYSA-N 308.385 3.685 0 40 DHAB CCn1cnnc1-c1cccc(NCc2cnn(C(C)(C)C)c2)c1 95428709 XZPFQYIPQJSMEI-UHFFFAOYSA-N 324.432 3.529 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CCNc3ccccc3O2)CC1 95627731 BPNLPHJZPFSGCC-UHFFFAOYSA-N 318.417 3.651 0 40 DHAB COc1ccccc1-c1nc(C(=O)OC2(C3CC3)CC2)cs1 96447590 BQTLSGVHFNGLLX-UHFFFAOYSA-N 315.394 3.918 0 40 DHAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(C)C1CCCCC1 96503320 NXMLAWBHPGZTNY-CYBMUJFWSA-N 320.481 3.982 0 40 DHAB O=C(Nc1ccc(F)cc1)N1CCOC[C@H]1c1ccc(F)cc1 96720371 IHEXJVFDLLDTGO-INIZCTEOSA-N 318.323 3.570 0 40 DHAB C[C@@H]1CN(C(=O)Nc2cccc3c2OCCO3)[C@@H]1c1ccccc1 97099306 YCHPTXZRSRHHBY-DYVFJYSZSA-N 324.380 3.683 0 40 DHAB CCCSc1nnc(C)c(/C=C/Nc2ccc(OC)cc2)n1 100186009 DKSKMTKZLCSATJ-MDZDMXLPSA-N 316.430 3.774 0 40 DHAB C[C@@H](NC(=O)c1ccc(Br)o1)[C@H]1C[C@@H]2CC[C@@H]1C2 100625678 OSTCUPUZPHLOBB-GWOFURMSSA-N 312.207 3.597 0 40 DHAB CCc1nc(C)c([C@@H](C)Nc2cnn(CC(F)F)c2)s1 182643440 XNOAQKBETHOJHH-MRVPVSSYSA-N 300.378 3.649 0 40 DHAB O=C(c1ccncc1)N(CCC(F)(F)F)Cc1ccccc1 191943345 ZXLWAMRIVFZADF-UHFFFAOYSA-N 308.303 3.676 0 40 DHAB Cc1ccc(C(=O)NCCOCc2ccccc2)c(Cl)c1 192371216 JKVJMJCVVXKUOP-UHFFFAOYSA-N 303.789 3.595 0 40 DHAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2cccs2)cc1C 223493193 XYWZOXSNANKIFR-ZDUSSCGKSA-N 309.456 3.713 0 40 DHAB Cc1cccc(COC(=O)c2snnc2-c2cccs2)c1 223847983 JJAWQFHNKKBWSS-UHFFFAOYSA-N 316.407 3.932 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C 224397423 ZABHDTBREJCRKG-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCc1ccc(F)cc1 224619135 INENMLOUCXYHKQ-SFHVURJKSA-N 315.388 3.650 0 40 DHAB O=C(Cc1ccc(Cl)cc1F)NCCc1ccc(F)cc1 225126729 HHNYWVXSTVZJTJ-UHFFFAOYSA-N 309.743 3.520 0 40 DHAB COCCC1(NC(=S)Nc2cc(C)cc(C)c2)CCCC1 225842738 LRWKIHXZFCHHRR-UHFFFAOYSA-N 306.475 3.939 0 40 DHAB CCCOc1ncc(NC(=O)[C@](C)(CCC)OCC)cc1C 225895353 PEPUSTXJLZRVAP-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CC(C)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226352589 GPKRXNDAZLPFFY-UHFFFAOYSA-N 307.733 3.893 0 40 DHAB O=C(c1ccc(C(F)F)cc1)N1CCOC[C@@H]1c1ccccc1 390834369 XGOFBZBGESGFOO-MRXNPFEDSA-N 317.335 3.838 0 40 DHAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccco1 408562654 RFHWDZWVTWNLMZ-ZCXUNETKSA-N 312.394 3.879 0 40 DHAB COc1ccc(-c2cc(-c3ccc(C)cc3)n3ncnc3n2)cc1 409061206 BXDLAUMNRLOBSR-UHFFFAOYSA-N 316.364 3.775 0 40 DHAB O=C(CSC1CCCC1)N1CCc2sc(Cl)cc2C1 1888850365 WEMBLXYVLVSSSI-UHFFFAOYSA-N 315.891 3.962 0 40 DHAB CC(C)[C@@H]1COC(C2(C3=N[C@H](C(C)C)CO3)CCCCC2)=N1 1988179739 KRZPFTLDCGJNJC-GJZGRUSLSA-N 306.450 3.844 0 40 DHAB O=C(Nc1ccc(F)c(F)c1)c1ccc(Br)cc1 304640 GJZVWFYRFLZSNH-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB Cc1cc2c(=O)oc(-c3cccc(Br)c3)nc2s1 348521 IRPUCPTVNHYNHV-UHFFFAOYSA-N 322.183 3.987 0 40 DHAB CC(C)Cc1nc2ccccc2n1C(=O)c1ccccc1C(=O)O 572590 VKMOVGVHFLBKQS-UHFFFAOYSA-N 322.364 3.622 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)c1cc2ccccc2oc1=O 2658097 CGUMJRQXMGHHDK-CQSZACIVSA-N 321.376 3.544 0 40 DHAB O=C(COc1ccccc1Cc1ccccc1)Nc1nccs1 2661071 HLPCBAMPPHDBBD-UHFFFAOYSA-N 324.405 3.751 0 40 DHAB Cc1[nH]c2ccccc2c1SCC(=O)N1CCCCCC1 2718315 CAZQVDMSEGKJPK-UHFFFAOYSA-N 302.443 3.971 0 40 DHAB CSc1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1 3328041 IUUWCEPAYPMPHQ-UHFFFAOYSA-N 318.417 3.618 0 40 DHAB CC1CCN(C[C@H](O)CO[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3864487 GOJANQILHWLMMS-HCXYKTFWSA-N 311.510 3.557 0 40 DHAB CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1 4163617 OFQWTWXKSDVBLL-UHFFFAOYSA-N 306.365 3.712 0 40 DHAB COCCSc1ccccc1C(=O)NCc1ccc(C)cc1 4649122 DPUXHAKVDZOVMU-UHFFFAOYSA-N 315.438 3.664 0 40 DHAB Cc1cccc2c(CC(=O)Nc3cc(F)cc(F)c3)noc12 4667886 TZBRJWILHUPPRT-UHFFFAOYSA-N 302.280 3.596 0 40 DHAB CCOC(=O)CCN(C(=O)Nc1ccccc1)C1CCCCC1 4706375 BRQJARCKAHLTRH-UHFFFAOYSA-N 318.417 3.806 0 40 DHAB CCCCOc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1 4784118 CGUXYYCVEWHBHS-UHFFFAOYSA-N 323.392 3.903 0 40 DHAB CC[C@H]1CCCCN1CC(=O)c1c(C)[nH]c2ccc(OC)cc12 5024852 ICQLMOAFMAOMME-AWEZNQCLSA-N 314.429 3.932 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 5192331 HOOXUBICNXCQBO-UHFFFAOYSA-N 319.286 3.512 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1Cl 5440446 OPABKADDPGZTPO-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB Clc1cnc2[nH]c(SCc3nc4ccccc4[nH]3)nc2c1 5453690 WPWJLUJUSCXWKC-UHFFFAOYSA-N 315.789 3.780 0 40 DHAB O=C(Cc1ccc(Cl)cc1Cl)NCc1ccccc1F 6260746 MRPXJYKLHGIDEP-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB O=S(=O)(Nc1ccc2ccccc2c1)c1c(F)cccc1F 7053610 FJMYQUXSXPXWSH-UHFFFAOYSA-N 319.332 3.919 0 40 DHAB CCCOc1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 7262563 UCWUTRGVPDHTJF-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB Cc1cccc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)c1O 7814475 KFQWUVLRUHLMHP-LBPRGKRZSA-N 324.336 3.669 0 40 DHAB C[C@@H]1c2ccsc2CCN1C(=O)CCC(=O)c1cccs1 7829315 NGYKPNSLGXUDPA-LLVKDONJSA-N 319.451 3.918 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2O)c1 8242096 FXTZNLIPQQMTOM-UHFFFAOYSA-N 314.341 3.521 0 40 DHAB CCOCCCN1Cc2cc3cc(C)cc(C)c3nc2OC1=O 12222171 GWIANAUPLUUDGQ-UHFFFAOYSA-N 314.385 3.593 0 40 DHAB Cc1ccnc(NC(=O)CCCc2nc3ccccc3s2)c1 12526894 MHDRJFKIHRRBHA-UHFFFAOYSA-N 311.410 3.961 0 40 DHAB COc1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1 13670559 PKUPTRSHSWGOCI-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB COc1ccc(-n2ncc3c2C[C@@H](c2ccccc2)CC3=O)cc1 14164163 CTUFBFCFBDZBIT-OAHLLOKOSA-N 318.376 3.794 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc2c(c1)CCO2 14185573 FXFILQAHELADBD-SLZMIMFISA-N 307.393 3.854 0 40 DHAB O=C(NCCCN1CCCC1)Nc1ccc(Cl)c(Cl)c1 14186505 VDTLXADZBXEILU-UHFFFAOYSA-N 316.232 3.601 0 40 DHAB Cc1sc2[nH]c(SCc3ccccc3)nc(=O)c2c1C 15218655 LWOFZOJUHHOZRV-UHFFFAOYSA-N 302.424 3.894 0 40 DHAB CCC(=O)N1CCCc2ccc(NC(=O)c3cccc(C)c3)cc21 17247839 RLAUJOUIKDCLDT-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB CC1CCN(C(=O)CCn2c(C(F)F)cc3cccnc32)CC1 19496701 LVKVJLOQUVHLNM-UHFFFAOYSA-N 321.371 3.623 0 40 DHAB Cc1cc(NC(=O)c2ccc(C(C)C)cc2)cc(C(=O)O)c1O 20137621 XOIPGTDQPKVVSC-UHFFFAOYSA-N 313.353 3.775 0 40 DHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 20141911 LESHNSCBYOIUTK-GFCCVEGCSA-N 313.353 3.814 0 40 DHAB O=C1S/C(=C\c2cccnc2)C(=O)N1c1cccc(Cl)c1 20437348 RMJMLYYMZHUYKW-QPEQYQDCSA-N 316.769 3.976 0 40 DHAB O=C(NCCc1ccc(F)cc1)NCc1ccc(Cl)s1 26168191 VCIGGZFNYNKVAL-UHFFFAOYSA-N 312.797 3.583 0 40 DHAB CCc1sc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1C 32738340 BHQIMGGTVJHDPT-NSHDSACASA-N 313.426 3.986 0 40 DHAB O=C(Nc1nnc(-c2ccco2)o1)Nc1ccccc1Cl 38547861 ZNNCSRHZHMGGCG-UHFFFAOYSA-N 304.693 3.627 0 40 DHAB CCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1ccccc1 40047276 BNKYHKLFCBWVPQ-UHFFFAOYSA-N 323.371 3.987 0 40 DHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CC=CCC1 40108452 MYWCYOAEQYMVED-JSGCOSHPSA-N 322.246 3.853 0 40 DHAB O=C(NCC(F)(F)F)c1cccc(-n2ccc3ccccc32)c1 44227452 RZWQHVIZCRVFJI-UHFFFAOYSA-N 318.298 3.923 0 40 DHAB Cc1noc(CNCc2ccc(-c3ccc(Cl)cc3)o2)n1 48261472 IEKMGHWMBCTDOV-UHFFFAOYSA-N 303.749 3.581 0 40 DHAB COc1ccc(NC(=O)N2CCC(C)CC2)c(C(F)(F)F)c1 58266080 IVPMBTKZLCOIHJ-UHFFFAOYSA-N 316.323 3.978 0 40 DHAB Cc1cc(NC(=O)c2sccc2-c2ccc(F)cc2)n(C)n1 58342346 SHKJKKBJOGJVHV-UHFFFAOYSA-N 315.373 3.848 0 40 DHAB Cc1ccc(C)c(C(=O)CN2CCN(c3ccccc3C)CC2)c1 67206458 POWGUIWPHSWWQY-UHFFFAOYSA-N 322.452 3.617 0 40 DHAB CC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CC1 67802726 SOKVNNNOBLWBSY-UHFFFAOYSA-N 312.207 3.963 0 40 DHAB COCC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 69895992 LFTDKJNBRFRDAI-SECBINFHSA-N 324.833 3.596 0 40 DHAB CCCOC(=O)c1cc(N)c(N2CCC(C)CC2)c(Cl)c1 70462613 CSXPXLMFKCSUMC-UHFFFAOYSA-N 310.825 3.725 0 40 DHAB Cc1ncsc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 71882948 NSYVVRUCJIMMDA-VIFPVBQESA-N 309.460 3.697 0 40 DHAB Cc1cccnc1[C@H](NC(=O)N[C@H](C)c1nccs1)C(C)C 71909202 LEOLYXGGTQYLNM-CHWSQXEVSA-N 318.446 3.604 0 40 DHAB Brc1ccc(C2(NCc3ccncc3)CC2)cc1 72235923 OOAXUIMKTXHZIW-UHFFFAOYSA-N 303.203 3.623 0 40 DHAB CO[C@@H](C)c1nc(COc2cc(C)ccc2C(C)=O)cs1 75092182 OYBLNENHIWGJIB-LBPRGKRZSA-N 305.399 3.941 0 40 DHAB O=C(NC[C@@H](O)c1ccc(Cl)s1)c1cc2ccccc2o1 76089240 GVUDWZWLQDKPLU-SNVBAGLBSA-N 321.785 3.611 0 40 DHAB CN[C@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C(C)C 79437863 URQCCMFLWKGVAR-DLBZAZTESA-N 304.434 3.564 0 40 DHAB Cc1cc([C@H](C)NC(=O)N(C)Cc2cccc(O)c2)c(C)s1 79997224 BZYRUAOJMMPEIF-LBPRGKRZSA-N 318.442 3.973 0 40 DHAB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)on1 90609987 WYDHZLKSPBPEKI-UHFFFAOYSA-N 320.654 3.608 0 40 DHAB FC(F)(F)c1cccc(-n2cc(NCC3=CCCOC3)cn2)c1 92569142 ULCVBGYPLASJMO-UHFFFAOYSA-N 323.318 3.650 0 40 DHAB O=C(Cc1cccnc1)N(Cc1ccncc1)CC1CCCCC1 95396798 YMNLSNPJFNDIHC-UHFFFAOYSA-N 323.440 3.628 0 40 DHAB COC(C)(C)C[C@H](C)NC1CCN(Cc2ccccc2C)CC1 95967338 ACYKIMAWCDSNIC-KRWDZBQOSA-N 318.505 3.753 0 40 DHAB Cc1ncc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c(C)n1 95990464 UDFMVSNIWSCVBU-LLVKDONJSA-N 313.426 3.625 0 40 DHAB COC[C@@H]1COCCC12CCN(Cc1ccc(Cl)cc1)CC2 96106320 CSYHOMQYTMJBJX-MRXNPFEDSA-N 323.864 3.605 0 40 DHAB COc1ccc(/C=C(\CC(N)=O)c2nc3ccccc3s2)cc1 96295786 ILAGVCAMOWPFTM-JLHYYAGUSA-N 324.405 3.721 0 40 DHAB Cn1cc(CN[C@@H]2CCCSc3ccc(Cl)cc32)cn1 96476682 IPMBLXIKMYNPPZ-CQSZACIVSA-N 307.850 3.790 0 40 DHAB ClC1=C(Cl)[C@@]2(Cl)C[C@@]1(Cl)[C@H]1[C@@H]3C[C@@H]([C@H]4O[C@H]34)[C@H]12 104223488 LIYPVKFEUBWTBI-QLXOBOJASA-N 312.023 3.698 0 40 DHAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(F)cc2)cc1 113968821 PNMJVJUJVRGEPO-GOSISDBHSA-N 315.388 3.862 0 40 DHAB CCS[C@H]1CC[C@H](NC(=O)Cc2cnc3ccccc3c2)C1 131374288 NEHXJHGRZLZJAM-HOTGVXAUSA-N 314.454 3.568 0 40 DHAB O=C(Nc1cc(Cl)ccc1Cl)c1cnc(C2CC2)nc1 222595662 IPXZZWQNCGRRIW-UHFFFAOYSA-N 308.168 3.913 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)CCc1ccc(F)cc1 223359338 DVLMDBVDPOCVMH-GOSISDBHSA-N 320.452 3.529 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](C)c1ccccc1 224448419 MMQIKCFIGVFCLI-KBXCAEBGSA-N 315.388 3.903 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cl)cc1F 224901297 IYKKGRWQELQZBS-LBPRGKRZSA-N 321.779 3.985 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)c(C)c1 225595018 VECUGSPPPUEJOQ-AWEZNQCLSA-N 321.417 3.790 0 40 DHAB CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)cn1 225898386 RMPNGBXRZCWGHQ-UHFFFAOYSA-N 306.406 3.548 0 40 DHAB CCOC(=O)C(C)(C)CC1CCN(C(=O)OC(C)(C)C)CC1 238294048 WARDXCPVTNLUNR-UHFFFAOYSA-N 313.438 3.613 0 40 DHAB Cc1nccc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 257202744 ANFKGANZZYXKSZ-SFHVURJKSA-N 319.412 3.512 0 40 DHAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1 257265180 LXQKLHBPKOSFSQ-CYBMUJFWSA-N 303.431 3.880 0 40 DHAB CCCN(Cc1ccccc1)C(=O)c1ccc2snnc2c1 408997974 PJBDAWGZBWOAMF-UHFFFAOYSA-N 311.410 3.744 0 40 DHAB Cc1cc(OCc2ccn(-c3ccc(F)cc3F)n2)cc(C)n1 563664993 MMXWGYGOSSHBRV-UHFFFAOYSA-N 315.323 3.741 0 40 DHAB O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cc2cc(Cl)ccc2o1 585083348 UHFPJPLSDFNHFP-NWDGAFQWSA-N 321.804 3.615 0 40 DHAB O=C(Cc1ccsc1)NCc1cc(-c2ccoc2)cs1 1775969752 JLYMBKCBDDMAPE-UHFFFAOYSA-N 303.408 3.929 0 40 DHAB Cc1cc(OCCN(C)C)c(C(C)C)cc1OC(=O)OC(C)C 1581 JBWWCPMFTSBPAK-UHFFFAOYSA-N 323.433 3.983 0 40 DHAB in-man CC1=NN(c2ccccc2)C(=O)[C@@]12O[C@H]2c1ccc(Cl)cc1 152920 MYNCDMBDBDYXHG-DOTOQJQBSA-N 312.756 3.573 0 40 DHAB COc1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1OC 209984 QAAMUQUSPJFBHQ-UHFFFAOYSA-N 300.289 3.560 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccccc2OC(F)F)c1 386399 JAZOLBKBGZGFBG-UHFFFAOYSA-N 307.296 3.614 0 40 DHAB CC[C@H](C)NC(=O)c1sc2nc3cc(C)ccc3cc2c1N 412197 CKDZXFGBDHMPBJ-JTQLQIEISA-N 313.426 3.868 0 40 DHAB O=C1O[C@H]([C@H](O)c2cccc(Cl)c2Cl)c2ccccc21 481083 HHQYGPFHMCDNMZ-KGLIPLIRSA-N 309.148 3.939 0 40 DHAB COc1cccc(NC(=O)COc2cccc3ccccc23)c1 559808 CNZIJHHQHHJWDP-UHFFFAOYSA-N 307.349 3.866 0 40 DHAB CC(C)CC(=O)NC(=S)Nc1ccccc1N1CCCCC1 569695 VCQXYZQETMYJRY-UHFFFAOYSA-N 319.474 3.536 0 40 DHAB COc1ccccc1C(=O)c1ccc(Br)c(F)c1 2574606 RLNRQSBJFROXIJ-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB C[C@@H](NC(=O)CSc1ncnc2ccccc12)c1ccccc1 3253618 SWJSOIZBSYYGBT-CYBMUJFWSA-N 323.421 3.599 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cccc(OC(F)F)c2)c1 3611495 JKYITMGSTWGZHS-UHFFFAOYSA-N 305.280 3.743 0 40 DHAB CCOc1ccc(Cl)cc1CNCc1ccc2c(c1)OCO2 4344214 QCOINQZTGPZXSF-UHFFFAOYSA-N 319.788 3.757 0 40 DHAB Cc1cc2ccccc2n1CC(=O)N1CCc2ccccc2C1 4675723 RFYBQCOBRXJQBD-UHFFFAOYSA-N 304.393 3.535 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@@H]1CCCC[C@H]1SC[C@@H]2O 4918136 QSGJCDIDVQRUTA-SCDSUCTJSA-N 324.442 3.519 0 40 DHAB CC(C)Nc1nc(Nc2cccc(Cl)c2)nc(NC(C)C)n1 5255717 DLKFSIYEDLBLSY-UHFFFAOYSA-N 320.828 3.909 0 40 DHAB CC(=O)[C@H]1C[C@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C 5481212 CVFOBQGADLDVRC-QXIYBXNSSA-N 317.473 3.713 0 40 DHAB O=C(NCCNc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 5662977 KXINDUXQGRRFAG-UHFFFAOYSA-N 316.420 3.570 0 40 DHAB CC(C)(C)c1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 7268278 BBLVFKZLZDGFHC-UHFFFAOYSA-N 320.392 3.577 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1C 7756822 OAOZSFSUSBZGKS-IBGZPJMESA-N 320.392 3.898 0 40 DHAB CCOc1cc(/C=C/C(=O)Nc2cccc(F)c2)ccc1OC 8287644 DLTGAFMAFOJOLW-CSKARUKUSA-N 315.344 3.885 0 40 DHAB C[C@H](Sc1ncccc1Cl)C(=O)N1CCc2ccccc21 8726220 UYXVVDOMROOEMF-NSHDSACASA-N 318.829 3.805 0 40 DHAB O=c1c2c(oc3ccccc13)C(O)=N[C@@H]2c1ccc(Cl)cc1 9088451 RMUGJQWMJVSRKT-CQSZACIVSA-N 311.724 3.854 0 40 DHAB CCOC(=O)c1c[nH]c2cc(Cl)c(-c3ccco3)cc2c1=O 9288260 LJYPSOSQYUOINC-UHFFFAOYSA-N 317.728 3.618 0 40 DHAB O=C(CCc1cccs1)Nc1nc(-c2cccnc2)cs1 9367687 PBQMWYMWWRLOJO-UHFFFAOYSA-N 315.423 3.838 0 40 DHAB COc1ccc2[nH]c(C(=O)N[C@@H](C)CCc3ccccc3)cc2c1 9581753 OMPICAVQTDTVCO-AWEZNQCLSA-N 322.408 3.928 0 40 DHAB O=C(NCCOc1ccc(Cl)cc1)NC1CCCCCC1 9872040 LUWWLQGFMLXXSC-UHFFFAOYSA-N 310.825 3.741 0 40 DHAB COc1ccc(CNc2c(-c3ccco3)nc3cnccn23)cc1 12113777 PVRYQIHIFHDMTD-UHFFFAOYSA-N 320.352 3.610 0 40 DHAB Cn1nccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 12444220 HAGSLEVAQYCUDT-UHFFFAOYSA-N 324.818 3.511 0 40 DHAB O=C(CSc1nc2ccccc2[nH]1)Nc1c(F)cccc1F 12508062 LDTJAPAVRRZWAV-UHFFFAOYSA-N 319.336 3.572 0 40 DHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Nc2cccc(C)c2C)cc1 12554861 GSXGSACQXJDKTF-AWEZNQCLSA-N 310.397 3.945 0 40 DHAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CNCC(C)C 12659989 VKYWVRQVIMCGBD-LORHWOILSA-N 305.462 3.690 0 40 DHAB biogenic COc1ccc2c(ccn2CCC(=O)Nc2ccccc2OC)c1 13735597 XPDTWHOLTYWWKZ-UHFFFAOYSA-N 324.380 3.687 0 40 DHAB Cc1oc2ccccc2c1CN(CCO)Cc1cccs1 13997488 PKFJJMXLQFFVQL-UHFFFAOYSA-N 301.411 3.797 0 40 DHAB Cc1ccc(-c2noc(-c3cc4cc(F)ccc4oc3=O)n2)cc1 15678972 BCZQWNDCQMFHGM-UHFFFAOYSA-N 322.295 3.958 0 40 DHAB Fc1ccccc1Nc1noc2c1CN(Cc1cccnc1)CC2 19350099 IJNNOMBJXPGZIN-UHFFFAOYSA-N 324.359 3.511 0 40 DHAB Cc1ncsc1C(=O)Nc1ccc(Br)cc1F 19422024 GYJOKMYRPKHLDH-UHFFFAOYSA-N 315.167 3.605 0 40 DHAB CCc1nnc(SCc2nnc(-c3ccccc3Cl)o2)o1 20034171 DPEUFOADZSKANH-UHFFFAOYSA-N 322.777 3.628 0 40 DHAB Cc1cc(NC(=O)Cc2ccc3c(c2)c2ccccc2n3C)[nH]n1 20254672 KAUHHSVBEZWFDB-UHFFFAOYSA-N 318.380 3.544 0 40 DHAB CCc1c(C)n(Cc2ccccc2)c2nc3ccccc3n2c1=O 20674453 RMWDKGVJFBTAEX-UHFFFAOYSA-N 317.392 3.568 0 40 DHAB Cc1nc(CCNC(=O)Cc2cccc3ccccc23)cs1 22527077 WOYVWATXAFJELO-UHFFFAOYSA-N 310.422 3.506 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCC1(c2cccs2)CC1 22680051 KSCZISFDLGKUOO-UHFFFAOYSA-N 321.829 3.872 0 40 DHAB Cc1ccc(OCCNC(=O)[C@H](C)Sc2ccccc2)cc1 23038746 YYWDERZEGOGKGD-HNNXBMFYSA-N 315.438 3.671 0 40 DHAB CC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 24613929 QEKIJJHFYFGJDF-UHFFFAOYSA-N 322.257 3.555 0 40 DHAB O=C(CN1CCC[C@@H]1Cc1ccccc1)NC1CCCCCC1 25358809 OHERQEICSXBKTG-LJQANCHMSA-N 314.473 3.533 0 40 DHAB CN(C(=O)/C=C/c1ccc2c(c1)CCO2)[C@@H]1CCc2ccccc21 27825713 SIIGRHPPQAFEDH-BQHJZSHBSA-N 319.404 3.781 0 40 DHAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1F 30609131 ZVPDIGFIKNWLBG-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1 30754892 FZBFTGNZUOOOBJ-OAHLLOKOSA-N 324.424 3.705 0 40 DHAB COCc1ccccc1CNC(=O)Cc1ccc2c(c1)CCCC2 31287031 HMSQAVANRBDRSV-UHFFFAOYSA-N 323.436 3.571 0 40 DHAB CCc1ccc([C@@H](NC(=O)c2cc(C(C)=O)c[nH]2)C(C)C)cc1 32768927 FEECUXGQRAQVKD-SFHVURJKSA-N 312.413 3.907 0 40 DHAB C[C@@H]1C[C@H](OC[C@H](O)CN(C)C2CCCCC2)CC(C)(C)C1 37530287 SVDPJYRFEFQLLO-NXHRZFHOSA-N 311.510 3.843 0 40 DHAB O=C(c1ccccc1)N1CCCc2ccc(N3CCCC3)cc21 41364682 IPXBPQQVNKMIQI-UHFFFAOYSA-N 306.409 3.880 0 40 DHAB Cc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1 46374524 VCRXNSPUPIZHBJ-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)Cn2cc(C)c3ccccc32)no1 50559709 YZSDYYFYYVTJBC-SFHVURJKSA-N 323.396 3.610 0 40 DHAB CC(=O)c1c(F)cccc1NCCn1c(C)nc2ccccc21 52720503 AZTOZSWYXXYNDI-UHFFFAOYSA-N 311.360 3.799 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 55508395 WSJSNJMLFWPICH-CYBMUJFWSA-N 321.417 3.569 0 40 DHAB COC(=O)c1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)o1 57620272 RYLDNNUSVSLWQA-INIZCTEOSA-N 319.788 3.961 0 40 DHAB Cc1nnc(SC[C@@H]2CCCCO2)n1CCc1cccs1 67757906 ZZJBLCAQWWDQBJ-ZDUSSCGKSA-N 323.487 3.552 0 40 DHAB CN1CCC(Cc2noc(-c3ccc(-c4ccccc4)[nH]3)n2)CC1 67855500 HMIYWKREDOPNSY-UHFFFAOYSA-N 322.412 3.616 0 40 DHAB COC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1 69121148 SOKPSKGSIMSGMQ-LBPRGKRZSA-N 315.394 3.593 0 40 DHAB CN(CC1CCC1)C(=O)NCc1ccc(-c2cccnc2)cc1 74915924 BAEBDVOYDKTHGY-UHFFFAOYSA-N 309.413 3.690 0 40 DHAB Cc1ccc(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1 79440779 QSFAOLPWRQUERR-ZDUSSCGKSA-N 308.447 3.739 0 40 DHAB CC(C)(C)c1ccc(CCC(=O)NOCC(F)(F)F)cc1 84284375 ZVOCDDLWUBPGOF-UHFFFAOYSA-N 303.324 3.527 0 40 DHAB CC[C@H](C(=O)NCC[C@H](O)c1cc(C)oc1C)c1ccccc1 85561353 CSOGAEFFLOXZJO-WMZOPIPTSA-N 315.413 3.630 0 40 DHAB CCCOc1c(C)cc(-c2noc([C@H]3CCCNC3)n2)cc1C 95095382 PUFUITMTWANJQJ-AWEZNQCLSA-N 315.417 3.609 0 40 DHAB CC(C)c1ccc(-c2nnc(NC(=O)NC3CC3)s2)cc1 95352006 NIWKJDNWUMTZLA-UHFFFAOYSA-N 302.403 3.612 0 40 DHAB CCC[C@@H](NC(=O)N[C@@H](CC)c1ccncc1)c1ccccn1 95404582 BIBHSNXTPFTGOQ-DOTOQJQBSA-N 312.417 3.768 0 40 DHAB COc1ccccc1[S@](=O)Cc1ncc(Cl)cc1Cl 163602925 VBDNQVVVGWHUCT-IBGZPJMESA-N 316.209 3.705 0 40 DHAB CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OC)c(C)c1 223023208 HOXPPYNJPVZCSL-KRWDZBQOSA-N 315.388 3.953 0 40 DHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 224906629 KZMBJOGRWDRYJU-UHFFFAOYSA-N 307.390 3.658 0 40 DHAB Cc1cc(O[C@H](Cc2ccccc2F)C(=O)O)ccc1Cl 225051103 BHCWQAKGCDFRDH-OAHLLOKOSA-N 308.736 3.862 0 40 DHAB COc1ccccc1O[C@H](Cc1cc(Cl)ccc1C)C(=O)O 225077587 DXIRXSHKFSQVDV-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 225131129 QJEAYRDFAULYJP-UHFFFAOYSA-N 315.847 3.925 0 40 DHAB CC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2)c(N)c1 225423471 SUVPVBVMCMSYGL-UHFFFAOYSA-N 303.793 3.804 0 40 DHAB CC(C)COc1ccc(NC(=O)C(C)(C)Br)cc1 225593746 UGTLHYYFYQRUFM-UHFFFAOYSA-N 314.223 3.833 0 40 DHAB CCn1ncnc1CSc1nc(C(C)C)nc2ccccc12 278419650 XDTYHPWUYYBJHT-UHFFFAOYSA-N 313.430 3.657 0 40 DHAB O=C(CC(=O)c1ccccc1)Cc1ccccc1Br 352070191 JRSQTBBUFKOGRL-UHFFFAOYSA-N 317.182 3.834 0 40 DHAB O=C(NCC(c1ccco1)c1ccco1)c1ccc(F)c(F)c1 675007737 LRDCEGPXAFZHGX-UHFFFAOYSA-N 317.291 3.713 0 40 DHAB Cc1cccc(OC[C@]2(O)CCCN(C3CCCCC3)C2)c1 1615140259 FQNFSKMGFYJZOX-IBGZPJMESA-N 303.446 3.533 0 40 DHAB CC1=NN(C(=S)c2ccc(C)cc2)[C@](C)(O)[C@@H]1CC(C)C 133928 MXJQIHAUIOISPO-NVXWUHKLSA-N 304.459 3.733 0 40 DHAB CCN(CC)c1ccc([C@@H](O)c2nc3ccccc3n2C)cc1 273269 ULWCCPQNNXBOIA-GOSISDBHSA-N 309.413 3.501 0 40 DHAB COc1cccc(C(=O)Nc2cccc(Br)c2)c1 290305 NTGXAACFSYYXCD-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB CCOC(=O)c1c(NC(=O)OC)sc2c1CC[C@@H](CC)C2 483275 UUYVKDHQJWYSSR-SECBINFHSA-N 311.403 3.618 0 40 DHAB C[C@@H]1CCCN(c2nc(-c3ccccn3)nc3ccccc23)C1 531653 RWTQDIWOBRFEIC-CQSZACIVSA-N 304.397 3.928 0 40 DHAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NC3CC3)sc21 538369 YAQGWTTXIJOTIA-UHFFFAOYSA-N 311.410 3.596 0 40 DHAB COc1ccccc1-c1nc2sc3c(c2c(=O)o1)CCCC3 994886 DRANOUSHAHFNNU-UHFFFAOYSA-N 313.378 3.804 0 40 DHAB C[C@@H]1Oc2ccccc2C=C1/C=C1\N=C(c2ccccc2)OC1=O 1481434 CSAOVZIYSPZVLG-IGWPVBGESA-N 317.344 3.738 0 40 DHAB CCCCN(CCCC)C[C@@H](O)COCc1ccccc1F 3179333 AFAUZGYXRCPVAX-QGZVFWFLSA-N 311.441 3.605 0 40 DHAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)c1ccccc1 3216356 DTCXGNNNNVGIRA-MRXNPFEDSA-N 315.344 3.501 0 40 DHAB O=C(CSc1ccc(Br)cc1)NC1CCCC1 3233872 UIDVVTXJVZDLHU-UHFFFAOYSA-N 314.248 3.600 0 40 DHAB CCN(C(=S)NC(=O)c1ccco1)c1cccc2ccccc12 3258364 HPHWNYDISAUZPJ-UHFFFAOYSA-N 324.405 3.974 0 40 DHAB O=C(Cc1cccc2ccccc12)NCCc1ccc(F)cc1 5465843 QFDJYSITPQLGBE-UHFFFAOYSA-N 307.368 3.880 0 40 DHAB Clc1ccc2oc(-c3cnc(N4CCCCC4)nc3)nc2c1 5582977 CCURQNLYVDYEIQ-UHFFFAOYSA-N 314.776 3.929 0 40 DHAB CCOc1cc2c(cc1[C@@H](C)c1ccccc1OC)OCO2 5841475 OKRDYSODJAKNBJ-LBPRGKRZSA-N 300.354 3.974 0 40 DHAB O=S(=O)(/C=C(\Br)c1ccccc1)c1ccccc1 6022670 KZEKKKHNXUUYJO-KAMYIIQDSA-N 323.211 3.854 0 40 DHAB Cc1cccc(CN2C(=O)S/C(=C\c3ccccn3)C2=O)c1 6422298 RSUWMGCSHMSJGH-GDNBJRDFSA-N 310.378 3.627 0 40 DHAB CC[C@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccccc1 6664298 QDFYWKUBKZNKRB-ZFWWWQNUSA-N 307.397 3.934 0 40 DHAB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1 7071324 ITEVRHWZBWWHJI-IZCBMXNHSA-N 312.413 3.830 0 40 DHAB CC(=O)c1c[nH]c(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 8258960 CVCXSQMPQCLJKT-UHFFFAOYSA-N 312.152 3.881 0 40 DHAB CC(=O)Nc1ccc(OCc2coc(-c3ccccc3)n2)cc1 9447734 XEJPIKJZDLTZGF-UHFFFAOYSA-N 308.337 3.879 0 40 DHAB O=C(CCSCc1ccccc1)N1CCc2ccccc2C1 10613843 QMEPTVHGUSDSLB-UHFFFAOYSA-N 311.450 3.895 0 40 DHAB O=C(Cc1cc(-c2ccc(F)cc2)on1)N1CCc2ccccc21 11693137 UHSSTKRJLKYQIC-UHFFFAOYSA-N 322.339 3.613 0 40 DHAB C[C@H]1Oc2nc3ccccc3cc2CN(Cc2cccs2)C1=O 12115577 PKDBCDKMHRSKHG-GFCCVEGCSA-N 324.405 3.606 0 40 DHAB COC(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1 12528350 VKSUYFMBOGYWNK-UHFFFAOYSA-N 320.348 3.516 0 40 DHAB COc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccccc2)cc1 12530338 PXQKFNGMODRZDE-CQSZACIVSA-N 307.397 3.936 0 40 DHAB COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1F 12740435 KYBYGBRBRPOGEP-UHFFFAOYSA-N 300.289 3.536 0 40 DHAB CC(C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 12815889 GRPBEANWPSRZKD-UHFFFAOYSA-N 310.441 3.687 0 40 DHAB CCc1nnsc1C(=O)N[C@H](C)c1cccc2ccccc12 12872361 TVNPOOBQVXXDNO-LLVKDONJSA-N 311.410 3.745 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 12888337 MOJAWDXPYMURMS-UHFFFAOYSA-N 302.399 3.671 0 40 DHAB CC(C)Cn1nccc1NC(=O)COc1ccc2ccccc2c1 12951200 VGHMRWBRIBOAEJ-UHFFFAOYSA-N 323.396 3.710 0 40 DHAB O=C(NCCCOC1CCCCC1)c1ccc(O)c(Cl)c1 12953108 RUFRGDLTQYKXHD-UHFFFAOYSA-N 311.809 3.515 0 40 DHAB C[C@@H]1CCc2c(sc3ncnc(NCc4cccnc4)c23)C1 13136409 ZTMKXNAZAZYOOJ-LLVKDONJSA-N 310.426 3.823 0 40 DHAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccccn1 14912259 GMOUNWDFNVKYDO-UHFFFAOYSA-N 315.804 3.978 0 40 DHAB CCCCSc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 17946008 AVOYJRKSQUCXIX-KBPBESRZSA-N 307.459 3.828 0 40 DHAB CCSc1nnc(-c2ccc(Br)cc2)n1CC 19927682 HZQGYVWPHWTHLN-UHFFFAOYSA-N 312.236 3.840 0 40 DHAB NC(=O)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl 20154437 HTGDVQZOZQYBBE-UHFFFAOYSA-N 307.136 3.901 0 40 DHAB CCCCC[C@@H](C)NC(=O)Cc1cnc(-n2cccc2)s1 20734433 VAYUOXCECZFWMB-CYBMUJFWSA-N 305.447 3.561 0 40 DHAB c1cnc2nc(SCCC34CC5CC(CC(C5)C3)C4)nn2c1 22133243 CTRZEUASKPAJFW-UHFFFAOYSA-N 314.458 3.823 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 22411790 NGUHQMJJFRLOQH-NSHDSACASA-N 308.303 3.900 0 40 DHAB Cc1cccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 24691128 NKZXCPGDWXYISH-MRXNPFEDSA-N 309.413 3.643 0 40 DHAB Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C)C2CC2)cc1 25771226 YOWBWWPIPLGDPD-LBPRGKRZSA-N 314.454 3.884 0 40 DHAB CC(C)(C)OC(=O)N1CCC(c2ccc3c(n2)NCCC3)CC1 38355897 ZVYMXHCYHZCTNG-UHFFFAOYSA-N 317.433 3.554 0 40 DHAB c1ccc2sc(NCc3ccnc(N4CCCC4)c3)nc2c1 42677881 NNGXPNUUTKKFSY-UHFFFAOYSA-N 310.426 3.904 0 40 DHAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(F)cc1Cl 44253569 BTQZOFMICBVGRY-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)o1 48055618 DIRZZAFVWMMRFE-NHYWBVRUSA-N 313.401 3.828 0 40 DHAB Cc1noc(C)c1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 52248145 JASTZBTWLZYCLK-MRXNPFEDSA-N 306.793 3.518 0 40 DHAB Cc1cc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)n(C)n1 52797297 HQWBUAQMLQXIBW-UHFFFAOYSA-N 318.808 3.578 0 40 DHAB c1ccc(-c2ccc(CNCc3nnc4ccccn34)cc2)cc1 58166668 JMWGZAFBGCXFFM-UHFFFAOYSA-N 314.392 3.686 0 40 DHAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccco2)c1 58201064 VCBJVYFHDCCWQN-UHFFFAOYSA-N 320.776 3.666 0 40 DHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(C)s1 58209532 KKOXDSTVGIDOLH-UHFFFAOYSA-N 308.790 3.921 0 40 DHAB CCO[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 58249109 CTDKUPGZPPCAAN-NSHDSACASA-N 316.323 3.738 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2)c(C)c1 59351591 ZCFBLUVXCQHFNK-CQSZACIVSA-N 301.361 3.699 0 40 DHAB Cc1ccc2oc(C(=O)N[C@@H]3CCCc4c3cnn4C)c(C)c2c1 71195577 DFTBQHSBXFTWPZ-OAHLLOKOSA-N 323.396 3.591 0 40 DHAB CCC(CC)(NC(=O)COc1ccc(C)cc1C)C(F)(F)F 72306387 WYVVJXNSZPYNIK-UHFFFAOYSA-N 317.351 3.920 0 40 DHAB CC(=O)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359313 AOYTZADKTICWCD-AWEZNQCLSA-N 315.804 3.523 0 40 DHAB O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccc[nH]1 74304923 LRCDUFYAJIFQCU-UHFFFAOYSA-N 324.355 3.663 0 40 DHAB C[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)CO1 75682872 NAKODRVBRFAZHD-VXGBXAGGSA-N 306.793 3.604 0 40 DHAB Cc1ccc2oc(CN[C@@H](C)c3nnc4n3CCCC4)cc2c1 89657568 HVIMAAPXWBLEDG-ZDUSSCGKSA-N 310.401 3.520 0 40 DHAB CC(C)(C)c1cnc(SCC(=O)Nc2ccccc2F)o1 95416497 PNFVQQATACVPFK-UHFFFAOYSA-N 308.378 3.842 0 40 DHAB Cc1nc(S[C@@H](C)C(F)(F)F)n(C[C@H]2CCCO2)c1C 95427279 ORAPJXHLFRJGJT-WDEREUQCSA-N 308.369 3.722 0 40 DHAB CC(C)n1ncc(C(=O)N[C@H](C)C(C)(C)C)c1C(F)(F)F 95978692 VKNMLODYCUZWTN-SECBINFHSA-N 305.344 3.647 0 40 DHAB CC(=O)N1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 96241711 DRVWUSGEVHQHSA-UHFFFAOYSA-N 306.409 3.575 0 40 DHAB O=[S@@](CCc1ccccc1)Cc1ccc(OC(F)F)cc1 96404390 BXUJWHUOCCXHOB-OAQYLSRUSA-N 310.365 3.779 0 40 DHAB CSCC[C@@H](C)NC(=O)Nc1cccc(-c2ncc(C)o2)c1 96413411 PEVFCJDPWQCZPL-LLVKDONJSA-N 319.430 3.913 0 40 DHAB Cc1ccc(F)c(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 96416785 KDJVWBZLDUHWTM-HNNXBMFYSA-N 315.344 3.554 0 40 DHAB c1cc(NCc2cccc3cn[nH]c23)cc(Oc2cnccn2)c1 96482734 ZIAPOACLWFMUAP-UHFFFAOYSA-N 317.352 3.757 0 40 DHAB COc1cc2c(cc1CN1[C@@H]3CC[C@@H]1c1cccnc1C3)CCC2 100198444 QIAIKVWDWZEBQT-YLJYHZDGSA-N 320.436 3.841 0 40 DHAB O=C([C@@H]1CC=CCC1)N(CCc1cccs1)C1CCOCC1 206677104 FAZMRVIXVWOSRS-OAHLLOKOSA-N 319.470 3.655 0 40 DHAB CC[C@H](NC(=S)Nc1cccnc1)c1ccc(OC)cc1 225491138 VVBZFWWULQQTLL-HNNXBMFYSA-N 301.415 3.528 0 40 DHAB CCC(C)(C)NC(=S)Nc1cc(C(=O)OC)ccc1Cl 225644765 KDSIBWVBLXJCBE-UHFFFAOYSA-N 314.838 3.602 0 40 DHAB CC(C)Oc1cccc(NC(=S)NCCCc2ccco2)c1 225805484 OZGPLEMXWIETAZ-UHFFFAOYSA-N 318.442 3.986 0 40 DHAB CCCOc1cccnc1C(=O)N1CCc2cc(Cl)ccc21 585082451 VTOLZLPFSLYFPL-UHFFFAOYSA-N 316.788 3.727 0 40 DHAB O=C(COc1ccc(Br)cc1)Nc1cccc(F)c1 37568 JMARIICPXRKFBI-UHFFFAOYSA-N 324.149 3.606 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1ccccc1OC(C)=O 60691 PXDXCBCLFUZOMA-UHFFFAOYSA-N 319.744 3.526 0 40 DHAB COC(=O)c1cccc(NC(=S)N(CC(C)C)CC(C)C)c1 134386 FLJHHKHKNLCKDG-UHFFFAOYSA-N 322.474 3.784 0 40 DHAB CCOC(=O)c1c(-c2ccccc2)nc2ccc(Cl)cn12 1385263 ZSIIKCZWUHINMD-UHFFFAOYSA-N 300.745 3.831 0 40 DHAB CC(C)c1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1 1475495 WYGPQADPOSNBCU-GOSISDBHSA-N 305.462 3.814 0 40 DHAB CCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 1580372 YZQYZBJUUATMOI-UHFFFAOYSA-N 321.402 3.605 0 40 DHAB COc1ccc(C(=O)c2c(N)sc3c2CC[C@H](C)C3)cc1 3434681 ANWFOIFNQMQTJN-JTQLQIEISA-N 301.411 3.695 0 40 DHAB CCc1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 4487500 CNKXTENZSDCRIP-UHFFFAOYSA-N 316.430 3.625 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 5729927 JYAYGACMDBQVJS-SOLBZPMBSA-N 319.489 3.987 0 40 DHAB Cc1cc(Cl)ccc1OC[C@H](O)CN(C)C1CCCCC1 6008712 RAJBMWRBCRIGKM-MRXNPFEDSA-N 311.853 3.653 0 40 DHAB CCCCCC(=O)NC(=S)Nc1cccc2cc(O)ccc12 6349672 NUPUMPHWJQQYHF-UHFFFAOYSA-N 316.426 3.939 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccccc1Cl 6549687 DSDKOFJYCPKXCH-UHFFFAOYSA-N 302.182 3.794 0 40 DHAB COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccccc1 6719445 FIHTYFDWZRVGAH-ZDUSSCGKSA-N 301.386 3.563 0 40 DHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 6851022 CQOSJBKEMYGNBZ-XHDPSFHLSA-N 304.777 3.584 0 40 DHAB O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1CC(F)(F)F 7113345 INLDGLHMMBUTMW-CQSZACIVSA-N 324.277 3.955 0 40 DHAB Cc1cc(C(=O)NCCc2cccc(F)c2)c2ccccc2n1 7123572 AJDVGVTWYZTDQS-UHFFFAOYSA-N 308.356 3.655 0 40 DHAB CCc1ccc([C@H](C)NC(=O)COc2ccccc2OC)cc1 7262781 UNHQYEURJPVWEU-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB CCOc1cc2c(cc1NC(=O)[C@H]1CC=CCC1)O[C@H](C)C2 13012270 MTGUZEXKZWUBGX-OLZOCXBDSA-N 301.386 3.704 0 40 DHAB CCc1nn2c(N(C)C)cc(C)nc2c1-c1ccc(Cl)cc1 13691658 LYAOKRNCIPTFBY-UHFFFAOYSA-N 314.820 3.987 0 40 DHAB CC[C@@H](CNC(=O)c1cccnc1SC)c1ccccc1 14165796 BTXZYHUSVYYNEZ-ZDUSSCGKSA-N 300.427 3.727 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C)cc1C 15471486 KEVLGHYZAYIWCJ-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3F)n2)s1 21806051 ZNGXLKNHDYTSPY-UHFFFAOYSA-N 319.386 3.966 0 40 DHAB CCC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 21928902 XWJZBNNRZFARKY-INIZCTEOSA-N 313.397 3.975 0 40 DHAB O=C(NCCc1ccccc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 26294126 LLJICXMXERTZKL-ZIAGYGMSSA-N 314.351 3.649 0 40 DHAB C[C@@H](c1ccccc1)N1C[C@H](c2nc3ccccc3[nH]2)CC1=O 26474608 GCTAARMPVICEKH-DZGCQCFKSA-N 305.381 3.640 0 40 DHAB NC(=O)Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 27642806 ABYKMRVUNMCBQR-UHFFFAOYSA-N 312.760 3.683 0 40 DHAB C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1cnn(C)c1 27919802 UWMBAEHTJPBEJN-AWEZNQCLSA-N 321.380 3.703 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2nc3ccccc3n2C)cc1 27924220 DVJDGYTUTIJLAR-UHFFFAOYSA-N 309.369 3.613 0 40 DHAB CC(C)COCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 31751935 MLWFHTODBYCBKE-UHFFFAOYSA-N 320.433 3.672 0 40 DHAB Cc1ccc(-c2nccc(Oc3ccc(C(=O)O)cc3)n2)cc1 32918478 XFWBHUMLHLSQJS-UHFFFAOYSA-N 306.321 3.943 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)NCc1ccccc1C)n2C 35558630 KXNUCKGFMIVYDW-UHFFFAOYSA-N 322.408 3.815 0 40 DHAB CCc1ccc([C@H](C)NC(=O)c2cc(-c3cccnc3)on2)cc1 40130313 YXFIHSQNHIRMDS-ZDUSSCGKSA-N 321.380 3.790 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)c1cc(F)cc(F)c1 40162154 QLMYCXRMYWNJEA-UHFFFAOYSA-N 301.745 3.952 0 40 DHAB CN(Cc1ccncc1)C(=O)CCc1cccc(Cl)c1Cl 47850951 RYBHMTQNYVIRSZ-UHFFFAOYSA-N 323.223 3.980 0 40 DHAB CSCc1nnc(SCCOc2cccc(Cl)c2)o1 48396369 UETPLCZHCBWWIJ-UHFFFAOYSA-N 316.835 3.757 0 40 DHAB COCCn1ncc2ccc(NC(=O)c3ccc(C)cc3C)cc21 58158726 BJNQGPXLWYZZKW-UHFFFAOYSA-N 323.396 3.552 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCCCCC3)cc2)n1 61108284 UUFCQAWBGAOIOJ-UHFFFAOYSA-N 311.429 3.564 0 40 DHAB CCOc1ccc(F)cc1[C@]1(O)C(=N)Nc2ccc(Cl)cc21 68267792 AUZAOHTZCMKRJQ-INIZCTEOSA-N 320.751 3.516 0 40 DHAB in-vivo O=C(c1csnn1)N1CCC[C@@H]1Cc1cccc2ccccc12 69351655 GHIGAUZAKYDDOL-OAHLLOKOSA-N 323.421 3.539 0 40 DHAB COc1ccccc1NC(=O)CCN1CC[C@@H](c2ccccc2)C1 69696991 NQZOOSQWDKAVMS-QGZVFWFLSA-N 324.424 3.513 0 40 DHAB Cn1ccc2c(NC(=O)c3cccc4c3ccn4C)cccc21 70666610 AYMUXDWRVAZFIU-UHFFFAOYSA-N 303.365 3.922 0 40 DHAB biogenic Cc1ccsc1C(=O)NCCCn1ncc2c(C)cccc21 71196059 YZXASPKZXPZABQ-UHFFFAOYSA-N 313.426 3.535 0 40 DHAB COc1ccc(NC(=S)Nc2cc(C)ccc2OC)cc1F 71325889 TZEUXLWGJPWFQH-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB COc1cccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccccc2)c1 72329231 JLKASVDMQJAOFH-CYBMUJFWSA-N 321.380 3.576 0 40 DHAB CC(C)c1nnc(NC(=O)c2ncoc2-c2cccs2)s1 72346362 IIBKJIDPRQTAGN-UHFFFAOYSA-N 320.399 3.630 0 40 DHAB Fc1cnccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72421533 DTSPPYLTJDQCBQ-UHFFFAOYSA-N 319.343 3.771 0 40 DHAB COc1ccc([C@H]2CCN(C(=O)NC3CCCCCC3)C2)cc1 75166772 JHCZPXJYAYIWSW-INIZCTEOSA-N 316.445 3.917 0 40 DHAB Cc1nc(C)c(C[S@](=O)c2ccc3ccccc3n2)s1 83075725 GQNIYMJRDYPFBG-HXUWFJFHSA-N 302.424 3.616 0 40 DHAB CC(C)n1ccc(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)n1 89894085 BCMXVWUCXFGYQT-QGZVFWFLSA-N 311.429 3.908 0 40 DHAB COC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 91301634 NVXLETMQLIBSQG-UHFFFAOYSA-N 319.279 3.839 0 40 DHAB Cc1csc([C@H]2CN(C/C=C/c3ccc(F)cc3)CCO2)n1 92790153 ZGAXHCMTLLCFAV-WOMSROEHSA-N 318.417 3.677 0 40 DHAB CC(C)c1cc(C(=O)Nc2ccccc2)nc(N2CCCCC2)n1 96101109 FJMBZPDQHSPNEE-UHFFFAOYSA-N 324.428 3.843 0 40 DHAB CO[C@H](CNC(=O)Nc1ccccc1C)c1cccc(F)c1 96388830 SRAKIXCNYGSSOQ-MRXNPFEDSA-N 302.349 3.643 0 40 DHAB C[C@H](NCc1nnc(C2CC2)o1)c1ccc(-c2ccncc2)cc1 96492189 CLFCOGNFWACTTR-ZDUSSCGKSA-N 320.396 3.860 0 40 DHAB COc1cc(NC(C)=O)ccc1N[C@H](C)c1cnn(C(C)C)c1 97038389 PABKDVBQOHVKCT-GFCCVEGCSA-N 316.405 3.604 0 40 DHAB CSc1nc2ccc(I)cc2s1 115222844 BNVCQPDDDUOBRT-UHFFFAOYSA-N 307.181 3.623 0 40 DHAB Nc1nnc(-c2ccc(OCc3ccccc3F)c(Cl)c2)o1 216816267 ROUVOSDUUOISIO-UHFFFAOYSA-N 319.723 3.690 0 40 DHAB COc1cccc(CCCNC(=O)Cc2ccc(C)cc2C)c1 224180557 CTETWMHBFJOYOQ-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1C 225094945 ILNIQEOQYZPENP-UHFFFAOYSA-N 317.816 3.558 0 40 DHAB COc1ccccc1C[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225096878 ZCBPDFDMGMLSTG-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB CC(C)CCNC(=S)Nc1ccc(Br)cc1F 225380184 DWAIHLOLRZYUQG-UHFFFAOYSA-N 319.243 3.921 0 40 DHAB CCOc1ccc(N[C@H](c2ccc(F)cc2)c2cnccn2)cn1 225578508 MNHSPXUERXPIKE-GOSISDBHSA-N 324.359 3.611 0 40 DHAB CCC1(NC(=S)Nc2ccc(OC)c(OC)c2)CCCC1 225850012 RDWHCEOUQDUAFA-UHFFFAOYSA-N 308.447 3.713 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H](c1ccsc1)c1cccs1 390827547 ZDIDLXICNZTQKD-AWEZNQCLSA-N 318.423 3.934 0 40 DHAB CC(C)(C)OC(=O)n1ccc2c(C3(C(=O)O)CC3)cccc21 575629459 YGGDRNOCZPCLSM-UHFFFAOYSA-N 301.342 3.541 0 40 DHAB O=C(N[C@@H]1CCC12CCOCC2)c1ccc(Cl)cc1Cl 585406917 DWNGXRBHMGBHOP-CYBMUJFWSA-N 314.212 3.682 0 40 DHAB C[C@H]1c2ccccc2CN1C(=O)[C@]1(C)OCCc2ccccc21 1587163127 UVQLBIZLJWGRPX-VBKZILBWSA-N 307.393 3.578 0 40 DHAB CCCCc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794605 CSQQAQHPMBHDLZ-UHFFFAOYSA-N 307.191 3.994 0 40 DHAB O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 173296 DBMJPCJUQPOGII-UHFFFAOYSA-N 310.378 3.920 0 40 DHAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC(F)F)cc1 194600 BZFPCDUXWRNKCM-GXDHUFHOSA-N 315.275 3.633 0 40 DHAB CC(C)Oc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1 521132 QJSGBBGWFWOFFI-JLHYYAGUSA-N 309.409 3.846 0 40 DHAB CCOc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1 530847 AKWTVMAIUSIXCS-UHFFFAOYSA-N 312.354 3.512 0 40 DHAB COc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(OC)c1 573376 YCBZLCJXUBRQJG-VGOFMYFVSA-N 315.756 3.850 0 40 DHAB CN1CCCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 1677210 URDGEWDSWDSTGN-UHFFFAOYSA-N 309.413 3.582 0 40 DHAB C[C@@H]1CCc2sc3ncn4nc(-c5ccco5)nc4c3c2C1 2202137 ZRUGGFXQJOEDJH-SECBINFHSA-N 310.382 3.724 0 40 DHAB C[C@H]1CCCc2sc3ncn4nc(-c5cccnc5)nc4c3c21 2334412 XNMDYBKZZDOMQO-JTQLQIEISA-N 321.409 3.841 0 40 DHAB O=C(c1ccc(F)cc1Cl)c1ccccc1CN1CCC1 2515630 UUPYNPHSMBODOM-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(Br)cc1C 2580278 WLMXJJJOCIADOE-UHFFFAOYSA-N 313.191 3.674 0 40 DHAB COP(=O)(CC(=O)c1ccccc1)CC(=O)c1ccccc1 3165001 FBRJHTXSGSICMA-UHFFFAOYSA-N 316.293 3.677 0 40 DHAB COc1cc(OC)cc(C(=O)OCc2ccccc2Cl)c1 3314797 LZMSIEFONQCUFD-UHFFFAOYSA-N 306.745 3.714 0 40 DHAB CCOc1ccccc1NC(=O)c1cc2sccc2n1C 4971094 HUFSBQRAVGUWFS-UHFFFAOYSA-N 300.383 3.891 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 6647912 LFXYTJMPRONPGJ-HNNXBMFYSA-N 305.381 3.672 0 40 DHAB Cc1cccc(C)c1NC(=O)[C@@H](C)SC(=S)N1CCCC1 7443583 PZEIWJFRLSGYTB-CYBMUJFWSA-N 322.499 3.744 0 40 DHAB O=C(O)Cc1csc(Nc2ccc(Cl)c(Cl)c2)n1 8024900 JKHLKFJUVVQIJU-UHFFFAOYSA-N 303.170 3.821 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccccn2)c1 9155033 CECLEMHDHLFGPN-OAHLLOKOSA-N 312.413 3.770 0 40 DHAB CC(C)[C@@H](NC(=O)NCCc1cccs1)c1ccccc1 9977029 HMUQILBZSKQWJK-MRXNPFEDSA-N 302.443 3.987 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 10744413 ZFWNTJVJGOYXGH-UHFFFAOYSA-N 316.788 3.870 0 40 DHAB CC(C)CNC(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)o1 10846425 SIUOWWJGUVZKHG-LLVKDONJSA-N 322.405 3.734 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1cc(C(=O)O)ccc1Cl 13167561 MGBIMHVDLLZHEF-RMKNXTFCSA-N 301.729 3.690 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 14241603 PLLCRHAFVNUVCU-GFCCVEGCSA-N 322.817 3.912 0 40 DHAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1C 16968902 WDUCTNGIWXJKQY-UHFFFAOYSA-N 323.436 3.782 0 40 DHAB Cc1cnc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)s1 17198015 LZGXTRHAEPARPU-GFCCVEGCSA-N 310.831 3.884 0 40 DHAB C1=CC[C@@H](/C=C/c2nn3c(-c4ccncc4)nnc3s2)CC1 19898841 SEOIQXIJHIWXES-NNNHXZLVSA-N 309.398 3.617 0 40 DHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccccc3C)oc2c1 20867808 MIAXTLMYGQJUBR-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1cc(C)c2c(C)c(C(=O)N[C@H](C)[C@H]3CCCO3)sc2n1 27885554 VJHJZKQMFWMFIT-CHWSQXEVSA-N 318.442 3.519 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cn2cccn2)o1 28226338 PRVADQVTGRGZMA-UHFFFAOYSA-N 319.723 3.569 0 40 DHAB Sc1nnc(CSCc2ccccc2)n1-c1ccccc1 30836550 FOLJLLOCGPNDEV-UHFFFAOYSA-N 313.451 3.989 0 40 DHAB CN(C)c1ccc(CCCNC(=O)Nc2ccccc2F)cc1 31664740 MVCSYECWUREEHS-UHFFFAOYSA-N 315.392 3.646 0 40 DHAB Cc1ccc(S(=O)(=O)n2cc(C)c3c(Cl)ccnc32)cc1 35978401 YBJUYMVPMWMUQJ-UHFFFAOYSA-N 320.801 3.544 0 40 DHAB O=c1c2ccc(F)cc2ncn1Cc1ccc2ccccc2c1 36359641 SGGDGPWWXSMWHF-UHFFFAOYSA-N 304.324 3.737 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CCCOc2ccc(F)cc2)o1 40050482 FSGZMDLVEGYNTE-CYBMUJFWSA-N 305.349 3.764 0 40 DHAB O=C(NCCc1ccc(OC(F)(F)F)cc1)C1CCCCC1 40122241 RIYVIMSTGOWINQ-UHFFFAOYSA-N 315.335 3.824 0 40 DHAB Cc1ccc(-n2nc(C)c(CC(=O)NC(C)C)c2C)cc1Cl 40127985 FPCHVRILBXBYRQ-UHFFFAOYSA-N 319.836 3.518 0 40 DHAB CCOCCCNC(=S)Nc1ccc(OC2CCCC2)cc1 44665511 NQSMUFTZXDFAMG-UHFFFAOYSA-N 322.474 3.721 0 40 DHAB CC(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1C(=O)O 45967556 QHWPCGAQHCCKDM-UHFFFAOYSA-N 318.417 3.750 0 40 DHAB COc1ccc(NC(=O)Nc2cccc(F)c2C)cc1OC 51354500 OJQFUTAWAJZXRA-UHFFFAOYSA-N 304.321 3.795 0 40 DHAB O=C(C[C@@H]1CCCO1)Nc1ccc(N2CCc3ccccc32)cc1 55392060 UIPNAFJEBWATNA-SFHVURJKSA-N 322.408 3.888 0 40 DHAB CCCOC(=O)c1ccc(I)c(Cl)c1 57351530 DKHZWLAABFKVPU-UHFFFAOYSA-N 324.545 3.511 0 40 DHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C)n1 58326622 ZRGMFNLXEBFBHC-FUHWJXTLSA-N 309.413 3.583 0 40 DHAB Cn1cc(-c2nc(CN(C3CCCCC3)C3CC3)cs2)cn1 60468421 XNEUAUKUTMVAND-UHFFFAOYSA-N 316.474 3.841 0 40 DHAB O=C(CCc1ccccc1)NCCc1coc(-c2ccccc2)n1 69435245 OYIIQEUFVPHHTE-UHFFFAOYSA-N 320.392 3.633 0 40 DHAB COCc1nc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)cs1 71830966 PLLUUPORGLZAKS-OAHLLOKOSA-N 316.426 3.575 0 40 DHAB C[C@H](c1cccnc1)N(C)C(=O)NCC1(c2ccccc2)CC1 71841262 UBNGMGVHDLROBD-OAHLLOKOSA-N 309.413 3.516 0 40 DHAB Cc1noc([C@@H](C)[S@@](=O)Cc2ccc(Cl)c(Cl)c2)n1 71888563 FQYNUSULVSALGC-QOLSBQFWSA-N 319.213 3.695 0 40 DHAB Cc1cccc(N(C)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 72288133 UVGIXIYQQLTKAU-NEPJUHHUSA-N 300.324 3.722 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)sc1C 72297451 RPWPYEDOTDSPOA-GJZGRUSLSA-N 304.459 3.822 0 40 DHAB C[C@H]1CCCN(Cc2c(C3CCOCC3)[nH]c3ncccc23)C1 72394987 LWZTVQRWNSRHCH-AWEZNQCLSA-N 313.445 3.689 0 40 DHAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccncc3)cs2)s1 72406143 ZZFZAXOUIDUCKH-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB CC[C@@H](NCCNC(=O)c1ccccc1)c1cccc(Cl)c1 76092542 BGTDRYAJDUGXOL-QGZVFWFLSA-N 316.832 3.811 0 40 DHAB C[C@@H](Nc1ccnc(-c2ccccc2)n1)[C@H](O)c1ccc(F)cc1 78620075 PWFXCELWXLVACJ-ACJLOTCBSA-N 323.371 3.817 0 40 DHAB Cc1ccccc1[C@H](NC(=O)Cc1c(C)noc1Cl)C1CC1 79002062 FEJCAEPGWGBVLY-MRXNPFEDSA-N 318.804 3.755 0 40 DHAB FC(F)(F)c1cccc(I)c1Cl 79640512 SYGINKAMEXQQEU-UHFFFAOYSA-N 306.452 3.963 0 40 DHAB CCN(C(=O)c1cc(COC)on1)c1cccc2ccccc12 79807654 DFGYYJYGOFLISP-UHFFFAOYSA-N 310.353 3.641 0 40 DHAB CC(C)(C)OC(=O)n1cc(O)c2c(Br)cccc21 80443812 IBBJRLZPPZLTHY-UHFFFAOYSA-N 312.163 3.893 0 40 DHAB in-vitro CCOC[C@@H]1CCN(C(=O)Nc2ccccc2SCC)C1 81608897 OQOOXOZNUJRBQY-CYBMUJFWSA-N 308.447 3.689 0 40 DHAB CCn1c([C@H]2CCCN2Cc2cscn2)nc2ccccc21 84496564 WOIKGHJRXNHSBD-MRXNPFEDSA-N 312.442 3.850 0 40 DHAB CCS[C@@H]1CC[C@H](N[C@@H](C)c2cnc3cc(C)nn3c2C)C1 91730994 LMJQIDCAWGDGFR-AEGPPILISA-N 318.490 3.671 0 40 DHAB CCOC(=O)CCCCOc1cc(Br)ccc1F 95738542 UYNPPKWQVJYHTH-UHFFFAOYSA-N 319.170 3.700 0 40 DHAB CO[C@H](CNC(=O)Cc1ccccc1Cl)c1ccc(C)s1 96104690 SWUPMIZEOUOJHA-CQSZACIVSA-N 323.845 3.756 0 40 DHAB CCc1ccc(C(=O)Nc2cccc(C[S@@](C)=O)c2C)cc1 96408336 UQIYVQZDVGQUFL-QFIPXVFZSA-N 315.438 3.688 0 40 DHAB CC(C)(Cc1cccc(Cl)c1)c1nc([C@@H]2CCOC2)no1 96462706 PNYJTFKJJUJIHG-GFCCVEGCSA-N 306.793 3.747 0 40 DHAB CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccnn1C(C)(C)C 97164580 WBLPSCIMSMXLMU-UHFFFAOYSA-N 320.824 3.955 0 40 DHAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COC(C)C)c1 224720938 WMNAXNNPFCQSAT-AWEZNQCLSA-N 307.434 3.929 0 40 DHAB CCOc1ccccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225104039 DZJNLUGVAGEWBH-MRXNPFEDSA-N 320.772 3.813 0 40 DHAB CC1CCN(C(=O)CCCn2cc(-c3ccccc3)cn2)CC1 227165047 PAHHIRQQEKEZPK-UHFFFAOYSA-N 311.429 3.589 0 40 DHAB Cc1noc(C)c1CNCc1c(F)cccc1OC(F)(F)F 283822968 FRDDYJQUWUUMOD-UHFFFAOYSA-N 318.270 3.619 0 40 DHAB O=C(c1ccccc1C(F)(F)F)C(F)(F)Br 382708557 GDGRVYBEXNZJPA-UHFFFAOYSA-N 303.024 3.876 0 40 DHAB COC(=O)CCCC(=O)c1cc(C(F)(F)F)ccc1Cl 575360990 YXSPNGUGNXLOSK-UHFFFAOYSA-N 308.683 3.885 0 40 DHAB Cc1csc(N2CCC(COc3ccncc3Cl)CC2)n1 2298187912 CCJVEWKWQDATQZ-UHFFFAOYSA-N 323.849 3.795 0 40 DHAB COC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 145542 HBXMBEVJODBPMC-PKNBQFBNSA-N 312.365 3.769 0 40 DHAB CC(=O)Nc1ccc(OC(=O)Nc2ccccc2Cl)cc1 401486 SNFWZFRXPFCDCD-UHFFFAOYSA-N 304.733 3.909 0 40 DHAB Cc1cc2n(n1)[C@@H](c1ccc(C(=O)O)cc1)Nc1c(C)cccc1-2 818100 GQUIHFVLSVGOSL-SFHVURJKSA-N 319.364 3.838 0 40 DHAB CC(C)(C)c1ccc(NC(=O)COC(=O)C2CCCC2)cc1 3238515 VOQYGVBXZLTEJV-UHFFFAOYSA-N 303.402 3.656 0 40 DHAB CCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3358102 ZOOYJFRCSQRCPD-UHFFFAOYSA-N 301.717 3.511 0 40 DHAB COc1ccc(OC)c2c1nc1n2[C@@H](O)C=C(C(C)(C)C)S1 4386325 RJEVIKSPPFJBOB-LBPRGKRZSA-N 320.414 3.580 0 40 DHAB C[C@@H](Sc1ccccc1F)c1nc2ccccc2c(=O)[nH]1 4493298 XTGGSTHJEKHMBJ-SNVBAGLBSA-N 300.358 3.916 0 40 DHAB COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)C[C@H]21 5004455 MABBDZWYIBJBFO-BHIYHBOVSA-N 316.397 3.519 0 40 DHAB Cc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)c(O)c1 5066011 MHQMPTGAWKIDQG-UHFFFAOYSA-N 317.410 3.981 0 40 DHAB CSc1ccccc1NC(=O)c1noc2c1C[C@@H](C)CC2 7000220 MZYZPQFCPDRRFP-JTQLQIEISA-N 302.399 3.774 0 40 DHAB COc1ccccc1NCCC(=O)Nc1ccc(F)cc1C 7779376 YCXUUIRXVJPELY-UHFFFAOYSA-N 302.349 3.583 0 40 DHAB CCOc1cc(CNCC(C)C)cc(Br)c1OC 8253587 GXQUFCXMVVJDRO-UHFFFAOYSA-N 316.239 3.602 0 40 DHAB Cc1cc(C(=O)CCC(=O)N[C@H](C)c2cccnc2)c(C)s1 8346252 IVFLJQZQWRBBAO-GFCCVEGCSA-N 316.426 3.600 0 40 DHAB Cc1ccc(C)c(NC(=O)COc2ccc(C=O)cc2Cl)c1 8369972 ZEOQMKGRWFEABN-UHFFFAOYSA-N 317.772 3.787 0 40 DHAB CNCCCNCc1ccccc1OCc1ccccc1Cl 8377268 UKTKEJDUAUPTKI-UHFFFAOYSA-N 318.848 3.618 0 40 DHAB COc1cc(OC)c(NC(=O)Cc2ccsc2)cc1Cl 8988403 LJXZMPHNKAKSHD-UHFFFAOYSA-N 311.790 3.600 0 40 DHAB O=C(NCCSCc1ccccc1F)c1ccccc1F 10280424 KLCJOIACMIDTQA-UHFFFAOYSA-N 307.365 3.628 0 40 DHAB CC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 12622873 BWOGBNIJIQEPEN-UHFFFAOYSA-N 317.414 3.753 0 40 DHAB COc1cc(C)c(NC(=O)c2cc3c(s2)CCC3)cc1OC 12756679 IAIITQCSEKQGDA-UHFFFAOYSA-N 317.410 3.815 0 40 DHAB CCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20141418 CRVHSMWEWNZKMW-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB O=C(/C=C/c1ccco1)Nc1ccc(-c2ccc(CO)o2)cc1 20145247 HTMGJRHNBBRJNN-CSKARUKUSA-N 309.321 3.684 0 40 DHAB NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 20154548 HPAHQLIYHUKEPS-UHFFFAOYSA-N 303.774 3.804 0 40 DHAB I/C=C/CNCc1cccc2ccccc12 22061484 SQDOINGZYLZAOT-RUDMXATFSA-N 323.177 3.878 0 40 DHAB in-vitro C[C@H](NCc1ccc(Cl)s1)c1ccc(-n2cncn2)cc1 22817008 WVZFLCIWABOYCD-NSHDSACASA-N 318.833 3.833 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 31121814 KEMAIEWYYSCUMH-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC1 32817935 FCGXCXCALMXTBU-UHFFFAOYSA-N 322.339 3.994 0 40 DHAB CCNC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 32999482 VKOCORYUSKTNSD-UHFFFAOYSA-N 319.817 3.799 0 40 DHAB CSc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 34515254 QCDQNQJEKISGSC-UHFFFAOYSA-N 300.796 3.557 0 40 DHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccsc1 38586356 VHFWEKJDIILVAU-UHFFFAOYSA-N 309.818 3.875 0 40 DHAB O=C(COc1ccc(Br)cc1F)c1ccccc1 40159266 DJEQVEJTJSCWHG-UHFFFAOYSA-N 309.134 3.850 0 40 DHAB CN(C(=O)c1cc(N)c(Cl)c(Cl)c1)C1CCCCC1 40293304 WKRJNTWCRXLFSZ-UHFFFAOYSA-N 301.217 3.980 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3cnco3)c2)c1 40555278 NQEQKMXDNWJPDB-UHFFFAOYSA-N 324.336 3.611 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1Cl 57340440 SXEVDMRWXBKGJV-UHFFFAOYSA-N 320.776 3.582 0 40 DHAB COc1ccc(-c2nc(N3CCSCC3)sc2C)cc1 58368324 ZVTVFHLPEGJKPL-UHFFFAOYSA-N 306.456 3.680 0 40 DHAB COc1cc2nc(-c3ccccc3)cc(C(=O)O)c2cc1OC 62152360 MLXXXFVCTDCEKZ-UHFFFAOYSA-N 309.321 3.617 0 40 DHAB CCOc1cccc([C@H](C)NC(=O)Cc2noc3ccccc23)c1 69775722 DGBWAZNSIPYESH-ZDUSSCGKSA-N 324.380 3.646 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)c1ccccc1OC1CCCC1 71896082 ACMYOCLDTMMOEU-OAHLLOKOSA-N 317.429 3.507 0 40 DHAB CC(=O)Nc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1 72334123 WFVXLWDUPMDNHM-UHFFFAOYSA-N 303.671 3.503 0 40 DHAB Nc1cc(Br)c(O)c(-c2nc3ccccc3o2)c1 73634553 BIATUUOPRLYHJX-UHFFFAOYSA-N 305.131 3.545 0 40 DHAB CC(C)(C)c1noc(CNc2ccccc2OC(F)(F)F)n1 74045520 PDJYHWPGIGWIEG-UHFFFAOYSA-N 315.295 3.878 0 40 DHAB Cc1cc(CS[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)on1 78555632 ORMXDCVXZZSFIS-VXGBXAGGSA-N 322.405 3.621 0 40 DHAB CS[C@@H]1CC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1 80847687 HYCMOAINJBBGBA-MWLCHTKSSA-N 303.880 3.734 0 40 DHAB Cc1cc(-c2noc([C@H]3CCCN3)n2)cc(C)c1OC(C)C 95095420 AZASPJVJWMGQOI-CQSZACIVSA-N 301.390 3.565 0 40 DHAB O[C@H](C[C@@H]1CCCCCN1c1ncc(Cl)cn1)c1ccco1 95413059 HRZUTDOFVHJGGK-UONOGXRCSA-N 321.808 3.596 0 40 DHAB O=C(NCCCn1ccc2cccnc21)c1ccc(Cl)s1 96353465 HXXGTZCVWKGMDI-UHFFFAOYSA-N 319.817 3.571 0 40 DHAB C[C@@H]1C[C@H](N(C)CCc2ccncc2)CCN1Cc1ccccc1 96414924 ZIVXBPAXOUVBBE-WIYYLYMNSA-N 323.484 3.609 0 40 DHAB CCC1CCC(NC(=O)C(=O)Nc2c(C)cc(C)cc2C)CC1 97074683 PEGPUHANDPXQND-UHFFFAOYSA-N 316.445 3.635 0 40 DHAB COc1cc(N[C@H](C)c2cnc(C)nc2C)c(OC)cc1Cl 97232363 RFXAMJSYPCIGCD-SNVBAGLBSA-N 321.808 3.937 0 40 DHAB COCc1cccc(NC(=O)c2cc3cccc(OC)c3o2)c1 121075368 KHVXASXABMPXLT-UHFFFAOYSA-N 311.337 3.840 0 40 DHAB CC(C)[C@@H](C)N(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1CC1 127813788 YIZGJWHFQYIZOI-GFCCVEGCSA-N 315.392 3.865 0 40 DHAB COCCCNCc1cc(C)n([C@@H](C)c2ccccc2)c1C 223677952 AOEMURIIBAFQIS-INIZCTEOSA-N 300.446 3.840 0 40 DHAB COc1cccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)c1 225099708 WXUGHOLZINUEIO-GOSISDBHSA-N 314.381 3.893 0 40 DHAB CCCO[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111120 ULGFSFKJYLXFJM-KRWDZBQOSA-N 300.354 3.901 0 40 DHAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3)ccc21 225129290 BCZSYIZBBNLJHE-UHFFFAOYSA-N 312.394 3.896 0 40 DHAB C[C@@H](Nc1ccc(N)cc1C(=O)N1CCCC1)c1ccccc1 225459066 KWYNIOCYNJEEEJ-CQSZACIVSA-N 309.413 3.678 0 40 DHAB CCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1C 225473249 GXBLBGWRGOBDMT-UHFFFAOYSA-N 303.793 3.724 0 40 DHAB O=C(NCc1cccnc1-c1ccco1)c1cccc(Cl)c1 225661600 GUSRMHKPKPDJDF-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB CC(=O)N[C@]1(C)C[C@H](c2ccccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257242801 IEEPCJHBLBSPIW-AQCJLOBTSA-N 319.420 3.987 0 40 DHAB O=C1N/C(=C/C=C/c2ccco2)C(=O)N1c1ccc(Cl)cc1 409231146 IGDVFYRZDBXXEM-GSPDUGTFSA-N 314.728 3.587 0 40 DHAB O=C(c1c(F)cccc1F)N1CCC(Oc2ccsc2)CC1 575619630 NVBQACLFEMZSQE-UHFFFAOYSA-N 323.364 3.710 0 40 DHAB O=Cc1nc(Br)c(-c2cc(Cl)cc(Cl)c2)[nH]1 1857794897 SGBMIZJAPZUMHO-UHFFFAOYSA-N 319.973 3.959 0 40 DHAB Clc1ccccc1CN1CCC(Oc2nccs2)CC1 2086889241 VDZOTLCRFPUXOD-UHFFFAOYSA-N 308.834 3.840 0 40 DHAB COc1cc(C(=O)Nc2cccc(C)c2C)cc(OC)c1OC 363007 YWXJTRMAQNMPCK-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)NCCC1=CCCCC1 574336 MRTRMXWJBUTRCU-VAWYXSNFSA-N 315.413 3.724 0 40 DHAB CCOc1ccc(Cn2c(=O)sc3ccccc32)cc1OC 814285 NNPOSVZCDWTGQF-UHFFFAOYSA-N 315.394 3.519 0 40 DHAB CNC(=O)c1ccc(-c2nc(-c3ccc(OC)cc3)cs2)cc1 1397308 IOHDBWINDKYCEJ-UHFFFAOYSA-N 324.405 3.845 0 40 DHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(Cl)c2)c1 1943752 FYIWMAHCXSJZHF-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)nnc2C1 2550157 YECDWQJYOAIDMX-SECBINFHSA-N 317.186 3.671 0 40 DHAB CC(C)CO[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 3012373 XMWUWTGDBJXTPY-JTQLQIEISA-N 304.645 3.518 0 40 DHAB COc1ccc2c(CN3c4ccccc4C[C@@H]3C)cc(=O)oc2c1 3337307 KIIZTMJVRDABMV-ZDUSSCGKSA-N 321.376 3.753 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1F 3409426 VBNIOUPUTPZZCD-UHFFFAOYSA-N 310.372 3.946 0 40 DHAB Cc1ccc2c(COC(=O)c3cccs3)cc(=O)oc2c1 3513161 QSZFGRKPUSQLOE-UHFFFAOYSA-N 300.335 3.520 0 40 DHAB COC(=O)/C(=C(/F)Sc1ccc(O)c(C)c1)C(F)(F)F 4141909 TXXKSWFYEFXBKC-MDZDMXLPSA-N 310.268 3.709 0 40 DHAB Cc1ccc(CCNC(=O)c2ncoc2-c2cccs2)cc1 5001950 ABWSCDJPUGWTGX-UHFFFAOYSA-N 312.394 3.684 0 40 DHAB O=C(CN1CCc2ccccc21)Nc1c(Cl)cccc1Cl 6346871 JNDJAVFWPQRYMJ-UHFFFAOYSA-N 321.207 3.995 0 40 DHAB CN(CC(=O)Nc1ccc(F)cc1Cl)Cc1cccs1 6939085 ANKSQBXBZFZZBE-UHFFFAOYSA-N 312.797 3.611 0 40 DHAB Cn1c(SCc2cc(-c3cccs3)on2)nnc1C1CC1 7644594 PDRYZFJNQGUFGD-UHFFFAOYSA-N 318.427 3.701 0 40 DHAB O=C(c1ccc(-n2cccn2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 8340793 COWOELBGZXKGSO-NVXWUHKLSA-N 309.413 3.525 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cncn1-c1ccccc1 9318890 TVNDIDHABBSOPQ-UHFFFAOYSA-N 305.381 3.995 0 40 DHAB COc1ccc(C)cc1-c1csc(NC(=O)C2CCC2)n1 9387732 CBCZKSMEKRCUQT-UHFFFAOYSA-N 302.399 3.866 0 40 DHAB Cc1cc2s/c(=N\C(=O)/C=C/c3ccccc3)n(C)c2cc1C 9388793 IDUYRYQTGAEHFR-OOLHVZIJSA-N 322.433 3.997 0 40 DHAB CCc1sc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1C 9460067 VQMDRQBNDIFPQB-UHFFFAOYSA-N 317.410 3.620 0 40 DHAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(C)s2)c1 10023628 FDICFRVJDSBTMN-VQHVLOKHSA-N 303.383 3.726 0 40 DHAB CC(C)C(NC(=O)c1ccc(CN2CCCC2)cc1)C(C)C 10336462 GDDSPSDYUNODPT-UHFFFAOYSA-N 302.462 3.693 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 12274383 WZIWVWORUKCZDF-UHFFFAOYSA-N 323.373 3.716 0 40 DHAB Cc1nc2ccccc2nc1Oc1ccc2ccc(=O)oc2c1 12553753 XMVMMOWLHLGUNF-UHFFFAOYSA-N 304.305 3.837 0 40 DHAB COC(=O)c1cccc(Oc2ccc(N)c(C(F)(F)F)c2)c1 14630378 ORYAOGNHYCREFT-UHFFFAOYSA-N 311.259 3.867 0 40 DHAB COc1ccccc1C(=O)N1CCc2cc3ccc(C)cc3nc21 15841928 WUJDNCZTXMURAU-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB C[C@H](NC(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCO2 15952133 AMDNSFXBCQKJSY-JTQLQIEISA-N 318.760 3.951 0 40 DHAB C[C@@H](NC(=S)Nc1ccccc1)c1ccc2c(c1)OCCO2 23107586 LTQVDMWBDXUKOM-GFCCVEGCSA-N 314.410 3.505 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c(O)c1 23951738 CAVZQAXCACMIAN-LLVKDONJSA-N 311.337 3.638 0 40 DHAB CC(C)C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 25273097 NZAUIGWTWZFMAW-UHFFFAOYSA-N 323.392 3.649 0 40 DHAB O=C(Cc1cccs1)Nc1ccccc1N1CCCCC1 28468714 CVIWGGKGCUMHNM-UHFFFAOYSA-N 300.427 3.920 0 40 DHAB CN(CCCNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 32755009 CTNGIIMDOMJZGN-FQEVSTJZSA-N 322.452 3.749 0 40 DHAB CC[C@H](C)Nc1nc(-c2cnn(CC)c2C)cc(C(F)F)n1 36613752 OFOCEXUHDOPSIP-VIFPVBQESA-N 309.364 3.816 0 40 DHAB O=C1c2ccccc2C(=O)N1CCCSCc1ccccc1 39650683 FRPDXYJNTRFGEO-UHFFFAOYSA-N 311.406 3.606 0 40 DHAB CC(=O)c1cccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 39987706 CUBYHJAVPIYCAA-LJQANCHMSA-N 322.408 3.665 0 40 DHAB CC(C)Cc1nnc(NC(=O)c2cc3sccc3n2C)s1 40805798 WEKPXFHSXQZWCG-UHFFFAOYSA-N 320.443 3.542 0 40 DHAB O=C(Nc1cccc(OC(F)F)c1)N1CCc2sccc2C1 47908598 FFKOMAWUWQDTEY-UHFFFAOYSA-N 324.352 3.940 0 40 DHAB Cc1ccc2c(CN3CCOc4ccccc43)cc(=O)oc2c1 48345497 BZZSKRKHMGQLNG-UHFFFAOYSA-N 307.349 3.500 0 40 DHAB O=C(c1ncoc1-c1cccs1)N1CC[C@H]2CCCC[C@H]21 69670257 BQOIKFAFYOZFIW-VXGBXAGGSA-N 302.399 3.808 0 40 DHAB Cc1ccc2cc(C(=O)N[C@H](C)c3c(C)noc3C)c(C)nc2c1 70952819 NPSBOVNTXCLLTO-GFCCVEGCSA-N 323.396 3.947 0 40 DHAB CC(C)c1noc([C@H](C)N2C[C@H](c3ccccc3)O[C@H](C)C2)n1 71828245 LLEYMRLMNXMNQX-IJEWVQPXSA-N 315.417 3.716 0 40 DHAB CCNc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl 71948068 ZFMPGXZJLQXMIF-UHFFFAOYSA-N 318.591 3.625 0 40 DHAB COc1ncc([C@H]2CCCCN2C(=O)OC(C)(C)C)cc1C 72217750 SXTGJOQWTCXXKK-CQSZACIVSA-N 306.406 3.861 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 72232490 QCZHUFPXVSOBSA-HNNXBMFYSA-N 316.426 3.584 0 40 DHAB Cc1ccnc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 72243368 JFOABJCCUHEIEI-UHFFFAOYSA-N 320.274 3.537 0 40 DHAB c1ccc2c(C[C@@H]3CCN(Cc4ccncc4)C3)cncc2c1 72367958 CXZYEKBNQCPJBV-KRWDZBQOSA-N 303.409 3.694 0 40 DHAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)[nH]1 75136810 UPARJFAPUDYVPW-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB C[C@H](NCCNC(=O)c1ccccc1)c1cccc2ccccc12 78806472 MQPODDVJPRRSQA-INIZCTEOSA-N 318.420 3.920 0 40 DHAB CC(C)(C)OC(=O)N1CCN(CC/C=C/c2ccccc2)CC1 79438596 VCJLQCBCXPIHIL-YRNVUSSQSA-N 316.445 3.643 0 40 DHAB CS[C@H]1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2O)C1 89334748 JJOXEIHRCVICTO-UWVGGRQHSA-N 317.813 3.541 0 40 DHAB C[C@H](c1cccs1)[S@](=O)Cc1cnn(-c2ccccc2)c1 89910221 OLGGKGICHNUMOF-ASSNKEHSSA-N 316.451 3.944 0 40 DHAB CCC1(COc2ccc(I)cn2)CCC1 95093873 QCOBSGCJTLWIPF-UHFFFAOYSA-N 317.170 3.645 0 40 DHAB COc1cc(C)c(NC(=O)N(CC(F)F)C(C)C)cc1OC 95426812 XXZNZQYBFCPEQY-UHFFFAOYSA-N 316.348 3.520 0 40 DHAB CCSCc1cccc(NC(=O)N(CC)CC(C)(C)O)c1 96459635 OYFNMKGXMOIHQK-UHFFFAOYSA-N 310.463 3.564 0 40 DHAB FC(F)(F)c1cccnc1CN[C@H]1CCCC[C@H]1n1cccn1 97034999 PSEFAMJHVCYWPT-DZGCQCFKSA-N 324.350 3.570 0 40 DHAB Cc1nnc([C@@H]2CCCN2C(=O)c2cc(C)c(C)cc2Cl)o1 97237097 LBWBHZZBTOCVHP-AWEZNQCLSA-N 319.792 3.626 0 40 DHAB Cc1ccc([C@H](C)NCc2nnc(Cc3ccccc3C)o2)o1 97373993 ARWFQJQXDYQKLV-AWEZNQCLSA-N 311.385 3.721 0 40 DHAB CCOc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1 97987570 VAFXEOVDSAMXPO-LFIBNONCSA-N 311.312 3.569 0 40 DHAB COc1cccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2Cc2cccnc2)c1 100728898 XAGFKPXRNZMYRL-ABSDTBQOSA-N 324.424 3.522 0 40 DHAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccccc2)c1 113969740 YGDBVSHXBGKGNY-SFHVURJKSA-N 313.397 3.559 0 40 DHAB Cc1ccc([C@](C)(O)CN[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 130063109 UPACQNHDQQWHFH-OUCADQQQSA-N 305.340 3.506 0 40 DHAB Cc1nc(CS[C@@H]2CCc3ccccc3NC2=O)cs1 190937151 BDIAFABJAXZNDQ-CQSZACIVSA-N 304.440 3.638 0 40 DHAB Cc1cc(I)ccc1-c1ccc(C=O)o1 216768515 NDEOXWGBPTYRIE-UHFFFAOYSA-N 312.106 3.672 0 40 DHAB COc1ccc(C(=O)NCCSC(C)(C)C)cc1Cl 224430445 NJMIPGFFGNYNCL-UHFFFAOYSA-N 301.839 3.610 0 40 DHAB Cc1cc(O[C@@H](Cc2ccc(F)cc2)C(=O)O)ccc1Cl 225053977 VRUQOXLOYQEERT-HNNXBMFYSA-N 308.736 3.862 0 40 DHAB Cc1nccc(N2CCC[C@@H]2c2ncc(Cc3ccccc3)o2)n1 257344473 ZXJMLWATEPUTOO-QGZVFWFLSA-N 320.396 3.705 0 40 DHAB CCc1nc(N)c2c(n1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O 408712671 GFESTPVLHSGRTL-ZDUSSCGKSA-N 323.440 3.831 0 40 DHAB C[C@@H]1O[C@H](C)[C@@H](c2nc(-c3ccc(C(F)F)nc3)no2)[C@@H]1C 528220270 NTYIKNPEUUWUTR-SREGZZRCSA-N 309.316 3.596 0 40 DHAB COC(=O)c1cc(Cl)ccc1C(=O)C(F)(F)C(F)(F)F 575242975 FNPRFKCCEXQTDE-UHFFFAOYSA-N 316.609 3.507 0 40 DHAB Fc1ccc(CN2CCC[C@H](COc3ccncc3)C2)cc1 1776000727 HKDRUOFVBNQGQL-INIZCTEOSA-N 300.377 3.512 0 40 DHAB Cc1ccc2[nH]cc(CCCN3C(=O)c4ccccc4C3=O)c2c1 174775 ZPSYXOOQSLRVBP-UHFFFAOYSA-N 318.376 3.705 0 40 DHAB Clc1ccc2nc3c(c(N4CCOCC4)c2c1)CCCC3 1673174 NMKJQHBKHZEHGO-UHFFFAOYSA-N 302.805 3.604 0 40 DHAB CCCc1cc2c(cc1COc1ccccc1C(=O)O)OCO2 1698366 IUPKRPCJIIFHJT-UHFFFAOYSA-N 314.337 3.645 0 40 DHAB Cc1cccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCCC3)c1 2974648 ONXNSWKRWJJPEM-OAQYLSRUSA-N 321.444 3.645 0 40 DHAB O=C(Nc1ncccn1)c1cc(-c2ccco2)nc2ccccc12 3227785 FRNFDGIKKNMBSN-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2)c1 3443532 OYCJQUVRJNGLKX-LJQANCHMSA-N 324.424 3.861 0 40 DHAB Cc1csc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1 3459085 FHRBGPSSICRIOW-UHFFFAOYSA-N 322.389 3.935 0 40 DHAB CC(=O)COc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340629 RYPWWOUGKSPPOD-UHFFFAOYSA-N 308.333 3.736 0 40 DHAB biogenic CC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cc(C)ccc1C 4870763 GAOXYBSGHVIREE-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB COC(=O)[C@@H]1C[C@H]2C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 5085776 RMGMMNIDJJIAOL-ZYYOCXGQSA-N 324.418 3.650 0 40 DHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc[nH]1 5270972 JQWNRCVVVCZLMD-UHFFFAOYSA-N 324.365 3.521 0 40 DHAB COc1ccc2[nH]c(C(=O)N(C)Cc3ccccc3)c(C)c2c1 5347363 NBZOVKJHVFVMMI-UHFFFAOYSA-N 308.381 3.757 0 40 DHAB CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(OC)c(OC)c1 5476472 DEOBBYLYNJTZLR-SLZMIMFISA-N 303.402 3.508 0 40 DHAB O=C(Nc1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 8779999 VCKBXKLLXMTGOY-UHFFFAOYSA-N 301.777 3.932 0 40 DHAB O=C(Nc1cccc(Cl)c1F)c1cnc2ccccc2n1 8849166 PNLORNZVWVFNIT-UHFFFAOYSA-N 301.708 3.675 0 40 DHAB O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1 13687056 HVBDVJGBSMFSPI-UHFFFAOYSA-N 304.349 3.913 0 40 DHAB CCOc1ccc(NC(=O)c2ccccc2OC)c2cccnc12 15840733 ZIQXFWZPVNETRR-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB Cc1ccc2cc3c(nc2c1)N(C(=O)COc1ccccc1)CC3 15841933 LVNAZJRRRLJMQH-UHFFFAOYSA-N 318.376 3.511 0 40 DHAB Cc1ccc2[nH]c3c(=O)n(C[C@@H](C)c4ccccc4)cnc3c2c1 16841713 ACFVCOYRHHFFGU-CQSZACIVSA-N 317.392 3.990 0 40 DHAB COc1cccc(C(=O)NCCSCc2ccc(C)cc2)c1 17603477 ODXCOYWTBKDHDA-UHFFFAOYSA-N 315.438 3.667 0 40 DHAB Cc1cccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 23384450 REOUYFDPCMPQNQ-LJQANCHMSA-N 309.409 3.581 0 40 DHAB Cc1ccc(CCCNC(=O)c2cccnc2Cl)c(C)c1 26911388 QUHJTACDAVVQQB-UHFFFAOYSA-N 302.805 3.714 0 40 DHAB Cc1ncc(CNC(=O)c2cc(Cl)ccc2Cl)s1 32611480 GVNWCUYRQGZQPF-UHFFFAOYSA-N 301.198 3.688 0 40 DHAB c1ccc(-c2noc(CN[C@H](c3ccccc3)C3CC3)n2)cc1 32863477 VLZLXHOWOKVENS-GOSISDBHSA-N 305.381 3.978 0 40 DHAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccc(C)c(C)c3)C2=O)c1 36635473 XSNNRSZZQNCWDV-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB CCOc1ccccc1C(=O)N1CCC(Nc2ccccc2)CC1 48292138 GVXONBBBSKUUJL-UHFFFAOYSA-N 324.424 3.802 0 40 DHAB CCCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 48885358 JZSZMMFGRKCTBS-HOTGVXAUSA-N 302.462 3.581 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C(C)C 68682436 CXVZGMZHVNGGCE-JTQLQIEISA-N 323.799 3.748 0 40 DHAB CN(c1ccccc1)C1CCN(C(=O)Nc2cccs2)CC1 69388184 RCSALKHWLZCBPY-UHFFFAOYSA-N 315.442 3.881 0 40 DHAB O=[S@](Cc1cccc(F)c1)Cc1coc(-c2cccs2)n1 69487606 VCNMOFDWOMKRNO-NRFANRHFSA-N 321.398 3.991 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC[C@@H](n2ccnc2)C1 69657289 YUFPIYUOBROIKX-CQSZACIVSA-N 311.410 3.575 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](c1cccnc1)c1ccc(F)cc1F 69846272 HRSYMBFRVYVCBA-PJQXDXOGSA-N 316.351 3.564 0 40 DHAB O=C(CC[C@H]1CCCO1)Nc1cccc(Oc2ccncc2)c1 71899785 OTYZFDQHELEBQD-OAHLLOKOSA-N 312.369 3.772 0 40 DHAB CCCN1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214439 MBCDJIYNSFTMFY-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)n1 76042942 LXLIMBIIUUGIEF-OLZOCXBDSA-N 322.474 3.531 0 40 DHAB CCN(Cc1ccccn1)C(=O)c1ccccc1OC1CCC1 84207033 PZRZBKKUAYNGNP-UHFFFAOYSA-N 310.397 3.675 0 40 DHAB CC(C)N(CC(C)(C)O)C(=O)Nc1cccc(C(F)(F)F)c1 84597245 BAOCFIRLQCRNTD-UHFFFAOYSA-N 318.339 3.719 0 40 DHAB CC(C)c1cnc(CSCc2cccc(C(=O)N(C)C)c2)o1 85228490 WEVYHOQNNWDUHJ-UHFFFAOYSA-N 318.442 3.933 0 40 DHAB Cc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 89633226 AOCYPHLCTCQHHF-ROUUACIJSA-N 324.468 3.611 0 40 DHAB O=C1C[C@H](c2nc(C3CC3)no2)CN1c1cccc2ccccc12 89873242 HFMFSRHSJNMGKP-AWEZNQCLSA-N 319.364 3.621 0 40 DHAB CCC[C@H](NC(=O)N[C@H](CC)c1ccncc1)c1ccccn1 95404583 BIBHSNXTPFTGOQ-WBVHZDCISA-N 312.417 3.768 0 40 DHAB C[C@@H](CN[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 95422766 FKNJFNMAMVAERV-QWHCGFSZSA-N 323.483 3.606 0 40 DHAB Cc1ncccc1CNc1ccccc1N1C[C@@H](C)O[C@H](C)C1 95448631 SBKXJOCPEGOHHM-HUUCEWRRSA-N 311.429 3.616 0 40 DHAB COc1ccc(OC)c(C(=O)CC2(CC(=O)O)CCCCC2)c1 95634197 SSEMNIGBYOPUNE-UHFFFAOYSA-N 320.385 3.702 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)c1nccs1 95959979 YKKLTQLRRGTOQF-SNVBAGLBSA-N 324.833 3.615 0 40 DHAB CC(C)[C@H](C(=O)N[C@@H](C)c1cncc(F)c1)c1ccccc1 95993594 WRMVHAAOTIKPJT-GUYCJALGSA-N 300.377 3.838 0 40 DHAB CCC(CC)(CC)CNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 96468960 XFPGCGMAEIOHQJ-CQSZACIVSA-N 306.454 3.515 0 40 DHAB CC(=O)Nc1cccc([C@H](C)Nc2cnn(CC(C)C)c2)c1 97038669 XPIVRITZHRTDJL-ZDUSSCGKSA-N 300.406 3.671 0 40 DHAB CCOc1cccc(C(=O)n2c(C)c(CO)c3ccccc32)c1 216956621 WXVHGAIZDFJRCH-UHFFFAOYSA-N 309.365 3.529 0 40 DHAB Nc1ccc(Nc2cccc(Cl)c2)c(C(=O)NC2CC2)c1 225470414 URMDANHBPVXZHZ-UHFFFAOYSA-N 301.777 3.558 0 40 DHAB COC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC1 225625417 FORCZAKUMZJFOY-UHFFFAOYSA-N 303.402 3.906 0 40 DHAB CC(C)C(=O)NCCSCc1ccc(Cl)cc1Cl 225648675 HBPZYYQFWBTFRV-UHFFFAOYSA-N 306.258 3.999 0 40 DHAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]31C2 257330376 XOCNESDBSCKRGZ-YFYQMDMQSA-N 313.441 3.705 0 40 DHAB CC(C)(c1nc(-c2cccnc2-n2cccn2)no1)C1CCCC1 329729424 PGBCGFACWWVCSN-UHFFFAOYSA-N 323.400 3.785 0 40 DHAB CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O 52080 FKRFVQBBBINMFD-QZTJIDSGSA-N 303.402 3.852 0 40 DHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C)c(C)c2)c1 148403 JJXNZHTUYDWHTB-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB O=C(Nc1ccc2nsnc2c1)N1CC[C@@H](c2ccccc2)C1 313081 YIMFDKQYURRVNN-CYBMUJFWSA-N 324.409 3.713 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@H]2CCCc3ccccc32)c1 364459 BUCDGDNHGITUHB-SFHVURJKSA-N 311.381 3.511 0 40 DHAB O=C(Oc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1 481044 GMMXPMRMPVVJES-UHFFFAOYSA-N 300.697 3.666 0 40 DHAB O=C1O[C@@H]([C@H](O)c2cccc(Cl)c2Cl)c2ccccc21 481084 HHQYGPFHMCDNMZ-ZIAGYGMSSA-N 309.148 3.939 0 40 DHAB Cc1cc(C(=O)OCC(=O)c2ccc(F)cc2)c2ccccc2n1 795240 BJXGJEHOJWXMNR-UHFFFAOYSA-N 323.323 3.722 0 40 DHAB CC(=O)N(/C=C/c1sc2ccccc2[n+]1C)c1ccccc1 1627614 SCNYCIGQKGVJSQ-UHFFFAOYSA-N 309.414 3.750 0 40 DHAB CCOC(=O)Cn1c2ccc(Cl)cc2c2nc(C)sc21 2331116 FSKJAWJCCVLOQL-UHFFFAOYSA-N 308.790 3.776 0 40 DHAB COc1ccc(C(=O)c2ccc(Br)c(F)c2)cc1 2574665 CCBGXYKZLVCALQ-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB COc1cccc(-c2cc(C(F)(F)Cl)n3nccc3n2)c1 2786393 ADWATCNDLQJILM-UHFFFAOYSA-N 309.703 3.693 0 40 DHAB CCCCOC(=O)c1ccc(-c2ccsc2C(=O)OC)o1 3029350 CVOYAEGZZZEUKH-UHFFFAOYSA-N 308.355 3.752 0 40 DHAB COc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 3153046 VIAVOEFIUMSZDA-UHFFFAOYSA-N 300.339 3.664 0 40 DHAB Cn1c(S)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 3379431 MHVSEBVBDDIKQE-JTQLQIEISA-N 307.488 3.983 0 40 DHAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 3501147 OMNITDPFVKRTAU-MQQKCMAXSA-N 314.168 3.607 0 40 DHAB Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 3885784 GGZZMUAGJMCHCS-UHFFFAOYSA-N 323.208 3.925 0 40 DHAB CN[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4084115 LXUIGQVHABEBDW-UXGBMSEJSA-N 305.506 3.978 0 40 DHAB biogenic CC(=O)Oc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1 4521194 QOLATYAXPIUNJO-UHFFFAOYSA-N 321.288 3.527 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Nc2cn(C)c3ccccc23)cc1 5265811 SRPXUFQUUQOTSF-UHFFFAOYSA-N 322.368 3.781 0 40 DHAB CC(C)CC(=O)Nc1ccc(C(=O)COc2ccccc2)cc1 6881200 KYXQEOSURNHKJU-UHFFFAOYSA-N 311.381 3.933 0 40 DHAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 7770157 NXVGAFJFPLLDPH-SUMWQHHRSA-N 310.397 3.554 0 40 DHAB C[C@@H](NC1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl 8038445 GBONJHDFOWMOHZ-SECBINFHSA-N 301.217 3.853 0 40 DHAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(F)(F)F)c1 8071238 RLORRYNELUOKLJ-UHFFFAOYSA-N 322.286 3.748 0 40 DHAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 8849450 FYGZXGAITYOBRC-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB O=c1[nH]c2ccc(-c3csc(-c4ccc(O)cc4)n3)cc2o1 9644220 DGKPCKZJWWBPKI-UHFFFAOYSA-N 310.334 3.617 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)NCC1(c2ccccc2)CCC1 10221309 CBSIUVCPGMBJPS-UHFFFAOYSA-N 318.420 3.949 0 40 DHAB CCC(=O)N(Cc1ccco1)c1nc2ccc(OC)cc2s1 10528334 SLWLTVWVCAZRRG-UHFFFAOYSA-N 316.382 3.841 0 40 DHAB COc1cccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2C)c1 10694479 MGZBSUNGGYWERR-YBJDMEARSA-N 313.422 3.916 0 40 DHAB O=C(Nc1cccc2ccccc12)NC1CCN(C2CC2)CC1 11008428 CJNXWUGTFZCOAJ-UHFFFAOYSA-N 309.413 3.588 0 40 DHAB Cc1cc(NC(=O)c2sc3ccccc3c2Cl)n(C)n1 12443971 DZKIZSBFHIGUMW-UHFFFAOYSA-N 305.790 3.849 0 40 DHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1cccs1 12746567 DGLRRTQOEMQSNX-UHFFFAOYSA-N 314.237 3.956 0 40 DHAB COc1ccc(-c2n[nH]c(=S)n2C2CCCC2)cc1OC 13731611 BFIZJBBLMFJJLA-UHFFFAOYSA-N 305.403 3.740 0 40 DHAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc2ccccc2c1 14244796 OAKXMSMKOBQQSG-UHFFFAOYSA-N 319.332 3.919 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)cc(C)c2)c1 14250234 YSTIFNPYLBQYDR-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB CC[C@@]1(C)Cc2c(sc3[nH]c(SC)nc(=O)c23)CS1 17113228 AQYOCGSVJFVKPE-ZDUSSCGKSA-N 312.485 3.665 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2C)cc1 20039313 CVTZYNRZRSCEKM-AWEZNQCLSA-N 315.438 3.801 0 40 DHAB CCN(C(=O)c1cc2c(C)nn(C)c2s1)C1CCCCC1 22534165 FXGJSMTZSGMJFN-UHFFFAOYSA-N 305.447 3.738 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)Nc2nc(C(C)C)cs2)c1 24343822 PQBMHFCCZRUPDZ-GFCCVEGCSA-N 304.415 3.981 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)Cc1csc(-n2cccc2)n1 30819446 ZQLXFPKSILOHEQ-AWEZNQCLSA-N 319.474 3.807 0 40 DHAB C[C@H](NC(=O)c1ccc2nccnc2c1)c1cc2ccccc2o1 32740942 OJVQKQHFPZVZTN-LBPRGKRZSA-N 317.348 3.867 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc3ncccc23)c1C 32750115 WJFHAVNKEOKMPE-UHFFFAOYSA-N 307.353 3.635 0 40 DHAB Cc1cccc(C(=O)Nc2cccc(NC(=O)NC3CC3)c2)c1C 32906534 KDAQMMOSVDOROE-UHFFFAOYSA-N 323.396 3.840 0 40 DHAB O=C(Nc1ccc(Cl)cc1)Nc1cc(C(=O)O)ccc1F 37591240 AGERQEUNZJYYBS-UHFFFAOYSA-N 308.696 3.821 0 40 DHAB Cc1ccc(NC(=O)NCCc2ccc(O)cc2)cc1Cl 38031938 KZCBBXBFDBXOHH-UHFFFAOYSA-N 304.777 3.718 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]2CCCC[C@H]21 40489605 BMGHSUVUWJEGGK-RHSMWYFYSA-N 311.429 3.677 0 40 DHAB c1nc(Sc2nnc(C3CC3)n2C2CC2)c2ccsc2n1 45351693 ZNWWQTSFELRRPQ-UHFFFAOYSA-N 315.427 3.646 0 40 DHAB CC(C)C(=O)Nc1cc(Cl)c2nc(N)sc2c1Cl 45891508 RRIFTSYIJAVAJY-UHFFFAOYSA-N 304.202 3.780 0 40 DHAB CCCCNC(=O)c1cn[nH]c1-c1ccc(OCCCC)cc1 72328979 QKLQXOJUXRGTPS-UHFFFAOYSA-N 315.417 3.786 0 40 DHAB CC(=O)N1CCC(c2cnc(-c3ccccc3Cl)cn2)CC1 72360768 YFYHYTIRHCDZCD-UHFFFAOYSA-N 315.804 3.523 0 40 DHAB C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1cccs1 74856731 DRXLCURXLNHSSY-JTQLQIEISA-N 315.847 3.582 0 40 DHAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCCCc1nccs1 76988487 BLJLYARSZVUWES-HZPDHXFCSA-N 314.454 3.694 0 40 DHAB O=C(NCC[C@@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1 81253594 PYZRAFDAJNNDDD-OAHLLOKOSA-N 323.314 3.559 0 40 DHAB Cc1ccc2oc(C(=O)N(C)[C@H](C)Cc3ccsc3)cc2n1 81402749 MJXFOVIAXDOUSA-GFCCVEGCSA-N 314.410 3.901 0 40 DHAB C[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1 84647774 HFGYAZRIBYBFQD-YPMHNXCESA-N 307.800 3.904 0 40 DHAB CCCC(=O)Nc1cccc(NCc2noc(CC(C)C)n2)c1 86201783 HVGLBNFVQVPPHO-UHFFFAOYSA-N 316.405 3.619 0 40 DHAB CCN(Cc1ccc2oc(C(=O)O)cc2c1)CC(F)(F)F 87708228 MFHGXDFPVTXWTP-UHFFFAOYSA-N 301.264 3.515 0 40 DHAB CC[S@@](=O)[C@@H]1CCC[C@H](NC[C@@H](C)CCc2ccccc2)C1 89274690 VCEGBPKEJZPIMG-UYZIEWPDSA-N 321.530 3.925 0 40 DHAB O=C(Nc1ccc(Oc2cccnc2)nc1)N1C[C@@H]2CCC[C@H]2C1 89883159 BPAUUOYNWFBUQE-KBPBESRZSA-N 324.384 3.533 0 40 DHAB C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc(F)c1 89905221 VTWCBUDAHVXBSS-HNNXBMFYSA-N 309.388 3.921 0 40 DHAB CCC(=O)Nc1ccc([C@@H](C)NCc2cnc(CC)s2)cc1 95409408 FPTPVHLPJFLZNO-GFCCVEGCSA-N 317.458 3.905 0 40 DHAB CC(C)c1ccc(/C=C/CC(=O)NC[C@H](C)N(C)C2CC2)cc1 95450367 BSSZSEVSHWQANN-JFDDCEBESA-N 314.473 3.812 0 40 DHAB Cc1cnc(NC(=O)CCc2ccc(C)o2)c(Br)c1 97021284 MJAUBJIWHJJFIZ-UHFFFAOYSA-N 323.190 3.625 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1 113954686 PUOYDKIRBRXJSJ-CYBMUJFWSA-N 317.816 3.986 0 40 DHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccccc1 224153669 ARZMFJYOTVDJAS-IRXDYDNUSA-N 320.421 3.587 0 40 DHAB CC[C@H](CNC(=S)Nc1cccc(C)n1)Cc1ccccc1 225633877 BXVQXPZPSTYTHN-HNNXBMFYSA-N 313.470 3.945 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN2Cc2c[nH]nc2-c2cccs2)n1 257241931 IAGQACHSHMSYPU-ZDUSSCGKSA-N 313.430 3.507 0 40 DHAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1 257254963 KFMYYLMQUBTONJ-AWEZNQCLSA-N 317.458 3.891 0 40 DHAB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccco1 408585422 DFZIKRGELNQTLL-UHFFFAOYSA-N 306.730 3.916 0 40 DHAB Cc1ccc2c(c1)CN(C(=O)c1ccccc1OC1CC1)CCO2 580735129 XZCIVVLBEGWGPS-UHFFFAOYSA-N 323.392 3.571 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)o1)c1cc2ccccc2[nH]1 585147940 JHEKVWMHFIMRKJ-UHFFFAOYSA-N 306.321 3.951 0 40 DHAB Cc1ccsc1CCC(=O)NCc1ccc(C2CC2)nc1 585150471 XPJCIRDULHKOMT-UHFFFAOYSA-N 300.427 3.578 0 40 DHAB Cc1[nH]c2ccccc2c1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 675031699 YHNKLUAQUZVYTK-UHFFFAOYSA-N 317.352 3.525 0 40 DHAB FC(F)(F)CNc1ccc(OCCOCC(F)(F)F)cc1 1083811707 GUTGSGIYZUBYMS-UHFFFAOYSA-N 317.229 3.619 0 40 DHAB c1ccc2oc(N3CCC[C@H](COc4nccs4)C3)nc2c1 2298223222 VTWXNSFDRLJJDS-LBPRGKRZSA-N 315.398 3.580 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 134297 OOVIELMNYPKFQW-UHFFFAOYSA-N 320.801 3.936 0 40 DHAB CC(=O)N1[C@H](Nc2ccc(Cl)cc2)CCN1c1ccccc1 282708 CYFVVKOTMFUSNH-KRWDZBQOSA-N 315.804 3.752 0 40 DHAB CCCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc21 530309 GEVOPYRQBDFURJ-UHFFFAOYSA-N 310.401 3.979 0 40 DHAB Cc1ccc(-c2nnc(SCc3cccc(C)c3)n2N)cc1 533276 DSOLMYOZFRHLOP-UHFFFAOYSA-N 310.426 3.568 0 40 DHAB C[C@H](CN(C)C)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698654 YIVFNVSKOBCLBC-BEFAXECRSA-N 317.860 3.968 0 40 DHAB CCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O 1999340 HLDCSYXMVXILQC-UHFFFAOYSA-N 313.397 3.558 0 40 DHAB in-man COc1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1 2796959 WBFXOOVKGJHLGZ-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB COc1ccc(-c2cc(C(=O)N(C)C)c3ccccc3n2)cc1 3218080 CAYIHPPKQUDGPD-UHFFFAOYSA-N 306.365 3.612 0 40 DHAB O=C(COC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 3530545 XSQDPOZSSGQLQZ-UHFFFAOYSA-N 308.255 3.745 0 40 DHAB Cc1ccc(C)c(-c2nnc(NC(=O)Cc3ccccc3)o2)c1 4479511 GLEFOEBXFRRTJD-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@@H]1OC[C@H](CN2CCCCC2)O1 4862831 IUQYLYYXKZJRJM-IGKNDFSCSA-N 307.478 3.676 0 40 DHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 5169605 NZOUXZYPTLWSRT-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(F)c(OC)c1 7360653 OFNJKCFLEMFVRO-UHFFFAOYSA-N 323.389 3.506 0 40 DHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(F)c1 7408997 DAJQTLKBOZZKJS-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(F)c2)cc1 7513510 QEAAQORTMVSOIC-LBPRGKRZSA-N 315.344 3.572 0 40 DHAB O=C(COc1ccccc1)Nc1ccc(-c2nccs2)cc1 7684121 MJBPZALRSKPCKT-UHFFFAOYSA-N 310.378 3.828 0 40 DHAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(Cl)cc1 7793725 OYAOTMQVGOPITQ-UHFFFAOYSA-N 317.801 3.899 0 40 DHAB CCN(CC)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 7813742 IFBGTGGSPWOMSM-GOSISDBHSA-N 311.429 3.891 0 40 DHAB CSc1nc(C)c(CCC(=O)NC2CCCCCC2)c(C)n1 8133706 XVHDMMXCIFSQNV-UHFFFAOYSA-N 321.490 3.587 0 40 DHAB COc1cccc2c(O)c(CN(C)Cc3ccccc3)c(C)nc12 8700876 HLHVHTCYEKJRRR-UHFFFAOYSA-N 322.408 3.889 0 40 DHAB Cc1ccc(NC(=O)/C=C2\Sc3ccccc3NC2=O)cc1 9287468 SPEOGWSLAZJMRN-GDNBJRDFSA-N 310.378 3.562 0 40 DHAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3)ccc(F)c21 12999144 PPQUCLJZZBXFIA-LLVKDONJSA-N 313.328 3.533 0 40 DHAB CC(=O)c1ccc(NC(=S)NCCc2ccccc2F)cc1 13577428 WWTOUXQZWAQQCH-UHFFFAOYSA-N 316.401 3.557 0 40 DHAB COc1cccc(NC(=O)CNc2cccc(Cl)c2C)c1 15290557 IKUFAIAUOVRTLO-UHFFFAOYSA-N 304.777 3.708 0 40 DHAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 15860008 GSVAVLALCYHGIF-KRWDZBQOSA-N 312.413 3.545 0 40 DHAB CCn1ncc(CN2CCCCC[C@@H]2c2cc(C)no2)c1C 19523950 KUBBHBNYGDAYCB-MRXNPFEDSA-N 302.422 3.625 0 40 DHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 20455740 ILNQYTKEHSRJNL-SNVBAGLBSA-N 323.751 3.894 0 40 DHAB Cc1sc(NCC(C)C)nc1-c1ccc2c(c1)NC(=O)CO2 25051138 NNUBGMMPWMHSKG-UHFFFAOYSA-N 317.414 3.517 0 40 DHAB Cn1ccnc1[C@@H](NCc1ccccc1Cl)c1ccccc1 30643034 QVEAVDSQGPFWSL-KRWDZBQOSA-N 311.816 3.953 0 40 DHAB COc1ccccc1CC(=O)NCCCSc1ccccc1 31351560 WOWNGTNQSHKCHD-UHFFFAOYSA-N 315.438 3.536 0 40 DHAB CCc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)sc1C 32874018 PMQZVKJGTBRFPT-JTQLQIEISA-N 317.410 3.839 0 40 DHAB Cc1ccc(NC(=O)Cc2csc(Cc3ccccn3)n2)cc1 32915721 NCHDNTZVOLCFEL-UHFFFAOYSA-N 323.421 3.619 0 40 DHAB CC(C)c1noc(CCC(=O)Nc2cccc3c2CCCC3)n1 32940589 LKTWEYKIERWOEL-UHFFFAOYSA-N 313.401 3.643 0 40 DHAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cccc(O)c1 33469993 CQBDVVZUFMFAMD-WQLSENKSSA-N 324.767 3.700 0 40 DHAB CCc1ccc(NC(=O)CCCNC(=O)c2ccc(C)cc2)cc1 35673167 XSBHXVPZBOHEPN-UHFFFAOYSA-N 324.424 3.706 0 40 DHAB Cc1nc(Cc2ccc(Br)cc2)sc1C(=O)O 36928977 RBWIGIJXMMEVES-UHFFFAOYSA-N 312.188 3.503 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)NCCCn1ccc2ccccc21 40024099 GBGIXIBFRDMTOM-RDJZCZTQSA-N 313.445 3.909 0 40 DHAB CCC[C@H](C)NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 48256216 TXQKUJOONPKLKQ-ZDUSSCGKSA-N 305.422 3.900 0 40 DHAB O=C(/C=C/c1cccs1)Nc1nnc(-c2ccsc2)o1 49029087 MDJOZFSFPSYMHQ-ONEGZZNKSA-N 303.368 3.512 0 40 DHAB C[C@@H](c1nc(C2CC2)no1)N(C)Cc1nc2ccccc2s1 51909725 VOAGEDCRIPAVQE-JTQLQIEISA-N 314.414 3.750 0 40 DHAB CC(C)CCO[C@@H](C)C(=O)N1CCc2[nH]c3ccccc3c2C1 58407730 XCJOMFSYDHUAHR-AWEZNQCLSA-N 314.429 3.504 0 40 DHAB CC(C)(C)c1ccc2cc(C(=O)Nc3ncccc3O)[nH]c2c1 60372577 GHOLGQAJEDLHJD-UHFFFAOYSA-N 309.369 3.818 0 40 DHAB Cc1nnc([C@H](CC(=O)Nc2ccccc2)c2ccccc2)o1 61993541 KRODPWXPKBLFHO-MRXNPFEDSA-N 307.353 3.539 0 40 DHAB OC1(CSc2nnc3sc4ccccc4n23)CCCCC1 65169715 PPCLDKRTUXBRFO-UHFFFAOYSA-N 319.455 3.731 0 40 DHAB CCN(C[C@H]1CCCO1)C(=O)c1cc(C2CC2)nc2ccccc12 67681055 IAUYBLBIXCVADW-OAHLLOKOSA-N 324.424 3.753 0 40 DHAB NNc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 72229689 PGBFAYSMEPRDGU-UHFFFAOYSA-N 324.365 3.580 0 40 DHAB O=C(Nc1nccs1)c1nnsc1-c1ccc(Cl)cc1 72242920 GHZCYIBIXZWZSQ-UHFFFAOYSA-N 322.802 3.567 0 40 DHAB CC[C@@H]1COCCN1C(=O)c1oc2ccc(Cl)cc2c1C 75613134 UYZFDJKHEDRPMU-GFCCVEGCSA-N 307.777 3.646 0 40 DHAB Cc1cnc(C(C)(C)NC(=O)NC[C@H](C)c2ccsc2)s1 80159062 PPZIMWCIDMPEDD-JTQLQIEISA-N 323.487 3.851 0 40 DHAB CS[C@@H]1CC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 80847681 HYCMOAINJBBGBA-GXSJLCMTSA-N 303.880 3.734 0 40 DHAB C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(F)c1 89895097 IWRPQVUZQDEKRC-GWCFXTLKSA-N 308.378 3.521 0 40 DHAB CCN(CC)c1nc(-c2ccc(C)cc2)c(CC(=O)O)s1 95097091 AFXQJYIRPQWWEP-UHFFFAOYSA-N 304.415 3.592 0 40 DHAB CC(C)CO[C@H](C)c1noc(CNc2ccc(F)c(F)c2)n1 95412856 ZXTPNASPDXVVDC-SNVBAGLBSA-N 311.332 3.694 0 40 DHAB C[C@@H]1OCC[C@H]1C(=O)N(c1cccc2cccnc12)C1CCC1 95983285 OYHFCSFEJARONG-XJKSGUPXSA-N 310.397 3.545 0 40 DHAB Cc1sc(Cl)nc1C(=O)NCc1ccccc1Cl 96231070 FQCSJKHUBFMHCR-UHFFFAOYSA-N 301.198 3.688 0 40 DHAB Cc1cc([C@H](C)NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(C)o1 97234626 TXRXNWVZIAYZPT-LRDDRELGSA-N 316.405 3.617 0 40 DHAB CCCCC(=O)/N=c1/sc2cccc(OCC)c2n1CC 100870353 RMPLMIAVWGOBMC-WUKNDPDISA-N 306.431 3.739 0 40 DHAB COc1ccc2[nH]cc(CCNc3ccc(C#N)c(C#N)c3)c2c1 118404229 YFYATDIVGDIWGR-UHFFFAOYSA-N 316.364 3.574 0 40 DHAB O=C(Cc1ccccc1)N1CCS/C1=C/c1cccs1 225234482 MHWJDOSQLLTDTC-FOWTUZBSSA-N 301.436 3.865 0 40 DHAB CO[C@@H]1CC[C@H]2N(C(=O)c3nccc4ccccc34)CC[C@@]2(C)C1 257263069 LOGMZSFOACPXDI-MDYRTPRTSA-N 324.424 3.655 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)n1 257341954 ZMOBLNWHFLMLSG-ZDUSSCGKSA-N 311.410 3.910 0 40 DHAB COc1cc(C(=O)COc2ccccc2)ccc1Br 575243202 SNFWWDUJHRBXRQ-UHFFFAOYSA-N 321.170 3.719 0 40 DHAB O=C(NCC[C@@H](CCO)c1ccsc1)c1ccccc1Cl 575606866 KFBGJDFEAXKKJH-LBPRGKRZSA-N 323.845 3.688 0 40 DHAB CC(C)c1nccn1CC1CN(c2nccc3sccc23)C1 2087143616 KTXWELNTASBUPG-UHFFFAOYSA-N 312.442 3.753 0 40 DHAB CCCN1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C 262603 LWVFZEKTMULTGS-MRXNPFEDSA-N 310.825 3.869 0 40 DHAB Cc1cccc(OCc2nn3c(-c4ccccc4)nnc3s2)c1 383134 SSQTYKDKKIDZPX-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(C)c1 422941 HPOVCLPLUYIJNC-DNVCBOLYSA-N 324.380 3.773 0 40 DHAB O=C1C[C@@H](c2ccc3c(c2)OCCO3)Oc2ccc(Cl)cc21 518001 MCLVSBUCBYULQY-INIZCTEOSA-N 316.740 3.818 0 40 DHAB biogenic CN(C(=S)NC(=O)c1ccc(Cl)cc1)C1CCCCC1 1003891 GLZUBTVQVDFHLM-UHFFFAOYSA-N 310.850 3.619 0 40 DHAB COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1OC 2634679 KFUHMJRJXZKNIL-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB O=C(CCc1nc2ccccc2s1)NCc1ccccc1F 2644348 DXUVPBZCLJBWRB-UHFFFAOYSA-N 314.385 3.684 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1 3514991 DIBJGQMFFKLELZ-CQSZACIVSA-N 317.816 3.856 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 3559843 LANZBGHPZLHMFS-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB COc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(OC)c1 3606810 HURHNKSMLHZVAG-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)[C@H]1C=C[C@@H]2C12CC2 4142789 FFCPUXZOBLGGJA-MHORFTMASA-N 315.372 3.541 0 40 DHAB O=C(Nc1nnc(-c2cccs2)o1)c1ccc(Cl)s1 4330352 XHMHUXBZUTWVON-UHFFFAOYSA-N 311.775 3.765 0 40 DHAB O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1 4330477 MDPXSBYUMHCPSH-UHFFFAOYSA-N 319.773 3.633 0 40 DHAB COc1cc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)ccc1O 4458715 MTNVLDROQYGFMD-IBGZPJMESA-N 321.380 3.854 0 40 DHAB Cc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)o1 5376186 XVBXTXCKORBHKO-JYRVWZFOSA-N 301.323 3.535 0 40 DHAB CC(C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 5392352 FBGGWRGUFDFNDF-UHFFFAOYSA-N 305.381 3.678 0 40 DHAB CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1 5910095 LZBGPTPSIUIREA-BHYGNILZSA-N 315.413 3.858 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1cnc(Cl)c(Cl)c1 6566970 UIVSUAFKXXICBV-UHFFFAOYSA-N 307.140 3.517 0 40 DHAB COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1F 7360994 MDPUCLFBKXNOJC-UHFFFAOYSA-N 323.389 3.560 0 40 DHAB O=C(O)Cc1sc(-c2ccccn2)nc1-c1cccs1 7777132 YELWQAWDDDFCSN-UHFFFAOYSA-N 302.380 3.561 0 40 DHAB CSc1nc(C)c(CCC(=O)Nc2ccccc2F)c(C)n1 8071670 IHJLQGIAPLEHMG-UHFFFAOYSA-N 319.405 3.526 0 40 DHAB CCOc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1F 8132502 FQIJTABYEJRJGO-UHFFFAOYSA-N 323.389 3.642 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCCO2 8275536 ZAMCAPXBTDJETP-UHFFFAOYSA-N 322.364 3.510 0 40 DHAB CC(C)(C)C(=O)Nc1nnc(CCCOc2ccccc2)s1 9614696 YPYDLPVZFSRTTH-UHFFFAOYSA-N 319.430 3.534 0 40 DHAB CCCOc1ccccc1NC(=O)c1cc2ccccc2oc1=O 10213934 MWSWHUCKABQWRM-UHFFFAOYSA-N 323.348 3.834 0 40 DHAB CC(=O)NC1(c2ccccc2C)CCN(Cc2ccccc2)CC1 12113162 ATYCTDYKWXYQMN-UHFFFAOYSA-N 322.452 3.622 0 40 DHAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1Cl 12754207 XHEQAGSFYZBBJC-LBPRGKRZSA-N 322.861 3.538 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12943460 YIJQWKFLLUDJCP-QGZVFWFLSA-N 323.392 3.744 0 40 DHAB Nc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1Cl 19736456 IVGULLKIRSKWBL-UHFFFAOYSA-N 311.168 3.593 0 40 DHAB CCC[C@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20038731 MCHXLEZGLRTCAK-INIZCTEOSA-N 302.462 3.837 0 40 DHAB C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 20549924 JWWVCCCHQUKQQQ-LLVKDONJSA-N 309.818 3.917 0 40 DHAB CCOc1cccc(CNC(=O)CSCc2ccccc2)c1 22523705 OXBGDIUSJIRSRB-UHFFFAOYSA-N 315.438 3.635 0 40 DHAB O=C(Cc1coc(-c2ccccc2)n1)N1CCc2sccc2C1 22597905 IOJKJKPTPRPBGC-UHFFFAOYSA-N 324.405 3.531 0 40 DHAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1Cl 25766084 UABFRVWLBHZLLT-LBPRGKRZSA-N 309.818 3.521 0 40 DHAB Cc1cccc(C(=O)N[C@H](c2ccccc2)c2cccs2)n1 25775692 SDWOJCYFXDNUNG-QGZVFWFLSA-N 308.406 3.971 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 28210616 JSCYHYJXIUXGIO-UHFFFAOYSA-N 323.270 3.533 0 40 DHAB CCC[C@H](NC(=O)CSCc1ccncc1)c1ccccc1 40152586 JBXWWJOMHDSXTB-KRWDZBQOSA-N 314.454 3.972 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1N(C)C 40301606 WZZSBFQIPOJQBD-UHFFFAOYSA-N 303.793 3.549 0 40 DHAB O=C(/C=C/c1cnccn1)Nc1ccccc1N1CCCCCC1 40554151 XOLZZWHHRNNNPT-MDZDMXLPSA-N 322.412 3.509 0 40 DHAB COCc1cccc(NC(=O)c2cc3sccc3n2C)c1 40786272 ZQZRVLFBPXQREF-UHFFFAOYSA-N 300.383 3.639 0 40 DHAB in-vitro Cc1n[nH]c2c1[C@@H](c1ccc(F)c(F)c1F)SCC(O)=N2 44917448 CCBFGVWCNGPDAL-GFCCVEGCSA-N 313.304 3.560 0 40 DHAB Cc1ccc(CN(C)C(=O)c2ccc(Cn3ccnc3)cc2)cc1 44940676 WZVNMWMUOOLADU-UHFFFAOYSA-N 319.408 3.512 0 40 DHAB COc1ccc2oc(-c3ccc(CNC(=O)C(C)C)cc3)nc2c1 72193715 CDHBZCOHOANPGX-UHFFFAOYSA-N 324.380 3.776 0 40 DHAB Cc1ncc(CNC(=O)c2ccc3nc(Cl)ccc3c2)s1 72271344 ZUALCKJLBQJVHN-UHFFFAOYSA-N 317.801 3.583 0 40 DHAB CC(C)n1cc(CCC(=O)Nc2cnn(C)c2)c2ccccc21 72404118 SSCDPCRAHQQWGH-UHFFFAOYSA-N 310.401 3.527 0 40 DHAB O=C(Nc1cc(-c2ccco2)ccc1F)NC1CCC(O)CC1 78938149 FNKOTUIADSMWMK-UHFFFAOYSA-N 318.348 3.511 0 40 DHAB C[C@@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)CO1 91088553 TZXGUFGXHSCVIA-GFCCVEGCSA-N 320.820 3.994 0 40 DHAB Cc1ccc(CNCc2ccsc2)c(O[C@H]2CCOC2)c1 95412300 YBUFOFFUMRREDS-INIZCTEOSA-N 303.427 3.514 0 40 DHAB COc1ccc(NC(=O)N2CC[C@H](SC(C)(C)C)C2)cc1 96120052 ZRFGEIXNSSZVPU-AWEZNQCLSA-N 308.447 3.833 0 40 DHAB CC(C)(C)OC(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 96428299 NPRGUNRKTVHJKC-UHFFFAOYSA-N 319.327 3.543 0 40 DHAB CCS[C@@H]1CCC[C@H]1NC(=O)Nc1c(C)nn(C(C)C)c1C 96452232 QNGNHKNMARSCPX-ZIAGYGMSSA-N 324.494 3.877 0 40 DHAB Cn1ncnc1CN[C@@H](c1cccc(Cl)c1)C1CCCCC1 96472210 VNZUWYNMCGKREW-QGZVFWFLSA-N 318.852 3.880 0 40 DHAB O=c1[nH]c2c(s1)[C@@H](c1ccco1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100288088 PGOHYRVPWXTGJJ-OWRUSBMPSA-N 305.424 3.682 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1[C@@H](C)CCC[C@@H]1C 217797522 KUIVQBHRCSDPJN-HOTGVXAUSA-N 319.445 3.930 0 40 DHAB COc1ccccc1O[C@@H](Cc1cc(Cl)ccc1C)C(=O)O 225077545 DXIRXSHKFSQVDV-INIZCTEOSA-N 320.772 3.732 0 40 DHAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccncc1 225347848 FJQGKBOKEJBIMT-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1F 225390813 QCAARGRMISXPJM-ZDUSSCGKSA-N 301.361 3.942 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccccc2F)cc1C 225450896 QYHOYUQNTDUYSA-HNNXBMFYSA-N 315.388 3.569 0 40 DHAB Cc1ccccc1COc1ccc(/C=C/C(N)=O)cc1Cl 226332985 WZCITBFOJYESNS-VQHVLOKHSA-N 301.773 3.726 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@H](O)CNC1CCCCC1)C2 253531592 BLSUEDKUVBIVGS-CAIZAGQASA-N 323.521 3.891 0 40 DHAB CCCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCN2)n1 256054258 VPYMCSCAYLSONQ-ZDUSSCGKSA-N 321.808 3.993 0 40 DHAB CC[C@H]1CC[C@@H](C)N(C(=O)c2nc(C3CC3)n3ccccc23)C1 585082420 QOXCLNIMGSKUPM-KGLIPLIRSA-N 311.429 3.862 0 40 DHAB COc1ccc2[nH]c(CN3CCC[C@@H]3c3nc(C)cn3C)cc2c1 1848352242 OGRVKQWZZFZFQE-GOSISDBHSA-N 324.428 3.556 0 40 DHAB C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 49479 JKIAXUYHVXSVCZ-VIFPVBQESA-N 308.230 3.557 0 40 DHAB COc1cc(OC)c(C(=O)Nc2ccccc2Cl)cc1OC 496855 KALKPSRYVKQNJZ-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB O=S(=O)(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 1392020 HRARYFALNCQJJX-UHFFFAOYSA-N 321.707 3.587 0 40 DHAB Fc1ccc(OCc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 1394902 XKFQGJDNKMDDMR-UHFFFAOYSA-N 324.311 3.590 0 40 DHAB O=C(NCOC(c1ccccc1)c1ccccc1)c1cccnc1 1726182 NIRSLIAGJXINDP-UHFFFAOYSA-N 318.376 3.575 0 40 DHAB CCCCc1nc2ccccc2c(=O)n1CCc1ccccc1 2117795 RCLSEJWOQSJNFR-UHFFFAOYSA-N 306.409 3.982 0 40 DHAB Cc1cc(NC(=O)C2CC2)n(-c2ccccc2C(F)(F)F)n1 3232032 DKSMCYLQZIWFQJ-UHFFFAOYSA-N 309.291 3.548 0 40 DHAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccnc1 3240963 YPBPYEHBEMBUOR-IBGZPJMESA-N 317.344 3.863 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)N[C@H]1CCCc2ccccc21 3435619 HBSVOHVGFJOOHT-FQEVSTJZSA-N 321.420 3.748 0 40 DHAB COc1cccc(-c2nnc(SC)n2-c2ccc(C)cc2)c1 3447947 KIIRYYANZVQLHM-UHFFFAOYSA-N 311.410 3.973 0 40 DHAB COc1ccc(-c2ccc(NC(=O)c3ccccc3C)cc2)nn1 5259543 VAISYLATRQGUJT-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB COc1ccc(C)cc1-n1c(S)nnc1-c1cccs1 6183922 UBJYIIRCNQOERW-UHFFFAOYSA-N 303.412 3.602 0 40 DHAB Cc1c(F)cccc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 6265987 YQBXABRKQGTFOE-UHFFFAOYSA-N 324.355 3.848 0 40 DHAB CCOc1cc(C(=O)NCc2ccccc2)cc(Cl)c1OC 6350922 WIVXFAKOJJXOAW-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB CCOc1ccccc1NS(=O)(=O)c1cc(C)ccc1C 7057422 HRYBRXHKHORBRS-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB CC(C)c1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 7319031 WKSLUOIYCBEPEF-UHFFFAOYSA-N 315.320 3.933 0 40 DHAB CCOCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 7540947 YOVANIXPRNACFF-AWEZNQCLSA-N 303.402 3.516 0 40 DHAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12592896 MIOXLNRXIJAICO-LLVKDONJSA-N 319.792 3.573 0 40 DHAB C[C@H](CNC(=O)COc1ccc(Cl)cc1)c1ccccc1 14604999 PZKVKTFZFULMGA-CYBMUJFWSA-N 303.789 3.639 0 40 DHAB COc1ccc([C@@H]2[C@@H](NC[C@@H]3CCOC3)[C@H]3CCCC[C@H]32)cc1 19557587 PKRIDGKYLLMKGD-IQOMPXODSA-N 315.457 3.594 0 40 DHAB CC(C)COc1cccc(C(=O)Nc2cc(N)ccc2F)c1 19736792 JJRJJYLJNHMYOU-UHFFFAOYSA-N 302.349 3.695 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(O)c(Cl)c1 28642956 UQEGIUFQTRXDQV-HNNXBMFYSA-N 301.773 3.853 0 40 DHAB CCn1c(NC(=O)c2cccc(F)c2F)nc2ccccc21 32610425 KTOCJRPFOOIYOV-UHFFFAOYSA-N 301.296 3.587 0 40 DHAB CCCN1CCCc2cc(CCNC(=O)C(C)(C)C)ccc21 35588075 LXWORQRSTAJSNI-UHFFFAOYSA-N 302.462 3.554 0 40 DHAB C[C@H]1CCCN(Cc2ccc(C(=O)NC3CCCC3)cc2)C1 38832520 DUNYDOJBLZJIJJ-HNNXBMFYSA-N 300.446 3.591 0 40 DHAB O=C(NCc1nc(-c2ccccc2)cs1)Nc1cccnc1 44972830 XBHQXARHAUTGEK-UHFFFAOYSA-N 310.382 3.527 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)N1CCC[C@@H]1c1ccncc1 45376623 JJPFSJQUGYCQAI-GOSISDBHSA-N 321.424 3.660 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CCC(C)C 45483246 CSEMFDWCLCHXHO-UHFFFAOYSA-N 300.402 3.697 0 40 DHAB Cc1cc(C)c2oc(-c3cc(-n4cnnc4)cc(C)c3O)nc2c1 45920580 WXCBVJYNGPIWIF-UHFFFAOYSA-N 320.352 3.706 0 40 DHAB CCOCCOCc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 47604158 YQMMVRWVRXVJJQ-HNNXBMFYSA-N 320.433 3.504 0 40 DHAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccnc(F)c1 58050317 LFPIQRAQIWZHRQ-UHFFFAOYSA-N 300.333 3.794 0 40 DHAB O=C1OCCN1CCc1nc(-c2ccc(Cl)s2)cs1 59742832 NRXKAGQUNNKOLL-UHFFFAOYSA-N 314.819 3.520 0 40 DHAB O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@H]1CO 65541033 GFMDFTRUVGNHFW-ZDUSSCGKSA-N 320.458 3.710 0 40 DHAB O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccccn1 65594310 STEDJFBQWVFIBF-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB C[C@@H]1SCCN(Cc2nc(C3CC3)no2)[C@H]1c1ccccc1 71911157 KNMAFRRAMVBWNN-BLLLJJGKSA-N 315.442 3.626 0 40 DHAB COC(=O)CN(CCc1cccs1)c1ccccc1Cl 87491428 OPMFFAWCGKNGOD-UHFFFAOYSA-N 309.818 3.624 0 40 DHAB CN(C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21)C1CCC1 95411630 DTCZOYXPHVEPFY-HNNXBMFYSA-N 300.402 3.627 0 40 DHAB O[C@H](C[C@H]1CCCCCN1c1ncc(Cl)cn1)c1ccco1 95413061 HRZUTDOFVHJGGK-ZIAGYGMSSA-N 321.808 3.596 0 40 DHAB Oc1cccc(CNc2cccc(CN3CCSCC3)c2)c1 95428865 TYLPGRADZZHGDS-UHFFFAOYSA-N 314.454 3.553 0 40 DHAB COc1ccccc1[C@@H](C)CC(=O)N[C@@H]1CC(C)(C)OC1(C)C 95465756 KTGRGFHSJKQQQN-XJKSGUPXSA-N 319.445 3.651 0 40 DHAB CC[C@@H](C)Oc1cc(C)ccc1CN[C@@H](C)c1cnn(C)c1 95969290 LDTQWKRPCJSWQI-CABCVRRESA-N 301.434 3.757 0 40 DHAB CCn1nc(C)c(CNc2nnc(C3CCCCC3)o2)c1C 97045394 KVZIAESZQOMJCX-UHFFFAOYSA-N 303.410 3.563 0 40 DHAB CCCC[S@](=O)Cc1cn2cc(Cl)cc(Cl)c2n1 97083689 CHJFPVWNZCZVLM-GOSISDBHSA-N 305.230 3.690 0 40 DHAB CC(C)Cn1cc(CNc2nnc(C3CCCCC3)o2)cn1 97238152 XELVMNQFRSUURN-UHFFFAOYSA-N 303.410 3.582 0 40 DHAB O=C(c1cccnc1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166285 QTOQEDWNWYAQFX-ROUUACIJSA-N 310.372 3.772 0 40 DHAB O=C(c1ccccn1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166314 VDGSZCNWIVMSDQ-IAGOWNOFSA-N 310.372 3.772 0 40 DHAB CCOC(=O)c1cnc2c(Cl)ccc(C(F)(F)F)c2c1O 103289249 HZKKQOCNNKDBRA-UHFFFAOYSA-N 319.666 3.789 0 40 DHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104127691 CDJULOUFQRQBCR-JLJPHGGASA-N 314.429 3.543 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 113959667 DQFNOADMHNNLAW-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB COc1ccccc1CCCNC(=O)CCc1ccccc1F 223209613 VTXUCSTZPVSROR-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB Cc1cccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 224355977 OEFRZFSHOGCVHS-INIZCTEOSA-N 323.436 3.958 0 40 DHAB CCOc1ccc(C(=O)NC)cc1CSc1ccccc1 224648504 XFOFMXRXAOLKOQ-UHFFFAOYSA-N 301.411 3.737 0 40 DHAB CCC[C@H](C)NC(=S)Nc1ccc(Oc2ccccc2)nn1 225188798 FFRDJJILSPJREP-LBPRGKRZSA-N 316.430 3.744 0 40 DHAB Fc1cc(F)c(C(F)(F)F)cc1I 238598298 AWBQBSMPYKRDDP-UHFFFAOYSA-N 307.987 3.588 0 40 DHAB C[C@@H]1CC(F)(F)CCN1Cc1ccc2oc(C(=O)O)cc2c1 530172633 KCZYHIIGFRZZIA-SNVBAGLBSA-N 309.312 3.751 0 40 DHAB COC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCCC2 36266 XGTTYBVXVANCTH-UHFFFAOYSA-N 307.415 3.542 0 40 DHAB CCOc1ccc(-c2nc3ccccc3c(C(N)=O)c2C)cc1 411350 AZJRCTMMOUVVCE-UHFFFAOYSA-N 306.365 3.708 0 40 DHAB CC(C)(C)OC(=O)N1CCO[C@](C)(c2ccc(Cl)cc2)C1 1436144 GFOKOPAQAGLVHF-INIZCTEOSA-N 311.809 3.823 0 40 DHAB CCOC(=O)CCCCC(=O)c1ccccc1CN1CCCC1 2515593 DRTCWRPRZXAXCK-UHFFFAOYSA-N 317.429 3.589 0 40 DHAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C1CC1 4861184 QWKPYQKOYUMQLE-UHFFFAOYSA-N 321.833 3.804 0 40 DHAB COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1Cl 5000705 IQTPMRJRZODYGU-DHZHZOJOSA-N 319.769 3.755 0 40 DHAB COc1ccc(-c2nc(CSc3nncs3)cs2)cc1 7195359 PQKCUGLKQDTRSY-UHFFFAOYSA-N 321.452 3.963 0 40 DHAB CC(C)c1ccc(NC(=S)NCCCN2CCCCC2)cc1 7369657 YRRWENQIVDXGDD-UHFFFAOYSA-N 319.518 3.972 0 40 DHAB CCC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 9134695 PQGDKSRSCYQMTR-UHFFFAOYSA-N 310.353 3.808 0 40 DHAB COc1ccc(CNc2nsc3ccccc23)cc1OC 10276793 IUNHWYNGTOPPLU-UHFFFAOYSA-N 300.383 3.926 0 40 DHAB Cc1cccc(NC(=O)NCc2cnn(-c3ccccc3)c2)c1 10464390 RYZVKRYBDXJBIO-UHFFFAOYSA-N 306.369 3.502 0 40 DHAB O=C(Nc1ccc(F)cc1)N[C@H](Cc1ncc[nH]1)c1ccccc1 11009116 BZRJRJNUVVFOPJ-MRXNPFEDSA-N 324.359 3.654 0 40 DHAB O=C1c2ccccc2C(=O)N1c1nc(-c2ccc(F)cc2)cs1 11566311 LJXFDAGNWRCYLF-UHFFFAOYSA-N 324.336 3.750 0 40 DHAB Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12221443 QXPQKQAWRNUKHO-HNNXBMFYSA-N 324.384 3.535 0 40 DHAB O=C(Nc1nc2ccccc2[nH]1)c1cc(F)c(F)cc1Cl 12589519 NSZDTZNVACGCRI-UHFFFAOYSA-N 307.687 3.747 0 40 DHAB Cc1nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2o1 12748858 OAJUDPNRPHXYTE-UHFFFAOYSA-N 316.744 3.807 0 40 DHAB O=C(c1cc2ccccc2cc1O)N1CCC[C@H](C(F)(F)F)C1 12867039 UCFYXGWJPIGLIA-ZDUSSCGKSA-N 323.314 3.960 0 40 DHAB Cc1ccc(OCC(=O)N[C@H]2CCSc3ccccc32)cc1 12891615 XOPMXDSYTJKIDO-INIZCTEOSA-N 313.422 3.727 0 40 DHAB C[C@@H](c1ccccc1)N(C)CC(=O)N[C@H](C)c1cccs1 12902185 QTXCCJLRZSRDRE-KGLIPLIRSA-N 302.443 3.618 0 40 DHAB CC(C)c1ccccc1NC(=O)CCNC(=O)c1ccsc1 12976300 XFEPWCPKNOZOCY-UHFFFAOYSA-N 316.426 3.630 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1 13001208 XFLDSDQWSAHALH-OAHLLOKOSA-N 322.408 3.603 0 40 DHAB CCc1cccc(C)c1NC(=O)CC1(C(=O)O)CCCCC1 13466786 LDWDEJWLEPXSBF-UHFFFAOYSA-N 303.402 3.921 0 40 DHAB CC(C)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13938583 QDGAJEUIFWWPGV-UHFFFAOYSA-N 316.637 3.581 0 40 DHAB O=C(Nc1ccc2ccccc2c1)c1cc(=O)[nH]c2ccccc12 14429194 JWIXKSZIAVUKPQ-UHFFFAOYSA-N 314.344 3.934 0 40 DHAB O=C1C[C@@H](c2cccnc2)c2sc(Nc3ccccc3)nc2N1 15110073 LXIHFKYRIBYCPQ-ZDUSSCGKSA-N 322.393 3.756 0 40 DHAB Cc1ccc2c(c1)nnn2C(=O)Nc1cccc2ccccc12 16348489 AEMRDZYTDALLCU-UHFFFAOYSA-N 302.337 3.973 0 40 DHAB O=C(Oc1ccc(/C=C\[n+]2ccccc2)cc1)c1ccccc1 17377833 RTJBWOBVMDMWBC-SSZFMOIBSA-N 302.353 3.821 0 40 DHAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(F)c1 20138122 BFKVDXUFIBPBJL-UHFFFAOYSA-N 311.312 3.830 0 40 DHAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCCC2=O)cc1 20451956 IPLZUPLDXVIVHH-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccc(N)cc2Cl)cc1C 21505668 UGHMZXAMNGXDRN-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB CC(C)(C)[n+]1cn(-c2ccc(F)cc2F)c(-c2ccccc2)n1 24841829 GBBYEHQGLQJONB-UHFFFAOYSA-N 314.359 3.860 0 40 DHAB CN(Cc1nc(C2CC2)no1)CC12CC3CC(CC(C3)C1)C2 27930879 OGAMIIOXIBJWCW-UHFFFAOYSA-N 301.434 3.595 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)SC(F)(F)F)cc1Cl 32914050 IVQLYURUQUFYSN-ZCFIWIBFSA-N 313.728 3.929 0 40 DHAB CC(C)(C)c1noc(CCCC(=O)Nc2ccc(F)cc2F)n1 33147282 JNWMBFOOJLKKSX-UHFFFAOYSA-N 323.343 3.607 0 40 DHAB CC(=O)c1csc(NC(=O)c2cc3c(s2)CCCCC3)n1 41907251 UFUJKLDJYIMFJD-UHFFFAOYSA-N 320.439 3.928 0 40 DHAB CC1CCN(c2c(N)cc(Cl)cc2Br)CC1 45886178 MSOXRNBTOATDQO-UHFFFAOYSA-N 303.631 3.921 0 40 DHAB O=C(NCc1ccc(Cl)s1)N[C@@H]1C[C@H]1c1ccccc1 49053645 COTZXGZYSXNKPO-QWHCGFSZSA-N 306.818 3.757 0 40 DHAB O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 49467058 RCGRXQNGMBUCQT-INIZCTEOSA-N 313.397 3.566 0 40 DHAB COc1cc(OC)cc(C(=O)N(C2CCC(C)CC2)C2CC2)c1 58368922 ADPWLZPJLFLNDU-UHFFFAOYSA-N 317.429 3.887 0 40 DHAB Cc1cccc(C)c1-n1nnnc1CNC(C)(C)CC(C)(C)C 60478161 IYKHUEBENWBBQH-UHFFFAOYSA-N 315.465 3.584 0 40 DHAB Cc1ccc(CCC(=O)N[C@H](C)COc2ccccc2C)cc1 65721183 PMCRIRBCDLDJKU-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB Fc1ccccc1-c1nnc(SC[C@@H]2CCCO2)n1C1CC1 66058740 BGEQOVYEJVODPP-LBPRGKRZSA-N 319.405 3.690 0 40 DHAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1c[nH]nc1-c1ccccc1 71281146 YHQODNYYWKFQFH-CYBMUJFWSA-N 321.384 3.978 0 40 DHAB CN(C)CC(C)(C)CNC(=O)c1cc2c(ccc3ccccc32)[nH]1 71796248 WACSJXXXSLKALJ-UHFFFAOYSA-N 323.440 3.639 0 40 DHAB Oc1nc(C2CCN(Cc3ccccn3)CC2)cc2ccccc12 72360990 HODRDABEKSEFKO-UHFFFAOYSA-N 319.408 3.715 0 40 DHAB Cc1nc(-c2ccccc2)ncc1C(=O)NC1CCCCCC1 75437266 JFKHQMLZRPXNHW-UHFFFAOYSA-N 309.413 3.905 0 40 DHAB Cc1ccc(CC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cn1 76093666 XJBNZQFEGJUQOO-ORAYPTAESA-N 312.388 3.681 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)C[C@@H]1OCCc2ccccc21 78813686 PGVLDEHWDCLHAV-BBRMVZONSA-N 315.438 3.972 0 40 DHAB CC(C)COC1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2F)CC1 84544372 SQTPQFKIWLOFIR-IRXDYDNUSA-N 319.420 3.593 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CNCc2cccc(F)c2)CC1 89212600 RDXZSTCRVXNTBC-UHFFFAOYSA-N 322.424 3.562 0 40 DHAB Cc1nn(C)cc1CCC(=O)N1CC2(CCCC2)c2ccccc21 89544326 FYVSQAAENHYQRK-UHFFFAOYSA-N 323.440 3.520 0 40 DHAB Cc1cccnc1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 93171271 NSPPGCDOICFBQB-KRWDZBQOSA-N 320.795 3.756 0 40 DHAB Cc1cccc(C2(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)CCCC2)c1 95451517 ZGDJAIGVFHYRGS-HOTGVXAUSA-N 313.441 3.886 0 40 DHAB CC(C)C[C@@H](NC1CCN(C(=O)c2ccco2)CC1)C(C)(C)C 95462760 ZELPLMKZFHTVKX-QGZVFWFLSA-N 320.477 3.935 0 40 DHAB O=S(=O)(Oc1cccnc1)c1ccccc1-c1ccccc1 95469232 AOQOQKJHTCSGQY-UHFFFAOYSA-N 311.362 3.516 0 40 DHAB Cc1ccc(/C=C/C(=O)O[C@H](C)c2nc3ccccc3n2C)cn1 95997641 XPQPRXGZWMPDKJ-PLSXKVAHSA-N 321.380 3.594 0 40 DHAB Cc1cccc2c1CCN2C(=O)c1ccc(-n2cccn2)c(F)c1 103780130 HGMHIOXRLLSAHM-UHFFFAOYSA-N 321.355 3.523 0 40 DHAB C[C@@H](NC(=O)CN1CCC[C@H]1c1ccccc1)c1ccccc1 103962889 CPFFPUOUXLYVBL-APWZRJJASA-N 308.425 3.701 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Oc1ccc(N2CCCC2=O)cc1 104877716 XQJZOZPTKWNJGD-SOUVJXGZSA-N 313.397 3.545 0 40 DHAB CCO[C@H](C)c1nc(CN(C)[C@H](C)c2ccncc2)cs1 108090778 ZQHLQRRYGUGAFO-CHWSQXEVSA-N 305.447 3.829 0 40 DHAB COc1ccc(C)cc1C[C@H](Oc1cc(C)cc(C)c1)C(=O)O 225117799 WHZSSKHNGJPOMJ-SFHVURJKSA-N 314.381 3.695 0 40 DHAB CCOc1ccc(C(=O)NCCOc2cccc(C)c2)cc1C 225123187 GLJAYBZUWNUVKK-UHFFFAOYSA-N 313.397 3.511 0 40 DHAB Cc1cc(NC(=O)C(C)(C)C)ccc1-c1ccc(C(=O)O)o1 226352550 SQROTXUXLXRTKO-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB CN1CC[C@H](NCc2ccccc2Cl)[C@@H](c2ccccc2)C1 248129383 MSHNPNGYEYSRMB-MJGOQNOKSA-N 314.860 3.918 0 40 DHAB Cc1ccc(-c2csc(=Nc3ccccc3)n2CCO)cc1 252671018 MKGWJQNHGBRGPB-UHFFFAOYSA-N 310.422 3.750 0 40 DHAB C[C@@H](c1cccnc1)N1CCC(C(=O)c2ccc(F)cc2)CC1 278794594 FGEHVOZDKUXFMF-AWEZNQCLSA-N 312.388 3.877 0 40 DHAB CCOC(=O)CCCC(=O)c1cccc(C(F)(F)F)c1C 575360885 ONWKGALLPPBZOH-UHFFFAOYSA-N 302.292 3.930 0 40 DHAB CCc1ccc2c(C3CN(C(=O)[C@@]4(C)CC=CCC4)C3)ncn2c1 1614947758 MPYXGVGPPCREGP-FQEVSTJZSA-N 323.440 3.569 0 40 DHAB Cc1cc(C)n(-c2nccnc2Sc2ccc(F)cc2)n1 1888900815 JNTWULXEKHJDQT-UHFFFAOYSA-N 300.362 3.569 0 40 DHAB Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C)c1C 82088 KGTFKTCAPXXFGA-CYBMUJFWSA-N 315.438 3.752 0 40 DHAB COc1ccc(-n2c(Cc3ccccc3)nnc2SC)cc1 422203 ORHVLUXCGULNIQ-UHFFFAOYSA-N 311.410 3.589 0 40 DHAB Cc1ccc(CNC(=O)c2c(-c3ccccc3)noc2C)cc1 3532886 KMHXFPBUVJEGHE-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB Cc1cc(C)c(OCC(=O)Nc2cccc(C)n2)c(Cl)c1 4125493 KXBLIBPYONURTD-UHFFFAOYSA-N 304.777 3.678 0 40 DHAB O=C(CCN1CCCCCC1)Nc1cccc(C(F)(F)F)c1 4747124 KPYMFUQJHWNUOX-UHFFFAOYSA-N 314.351 3.910 0 40 DHAB CCCC(CCC)C(=O)Nc1c(C(N)=O)oc2ccccc12 4851868 GUEGCURCPCYWAL-UHFFFAOYSA-N 302.374 3.687 0 40 DHAB Cc1noc(C)c1COc1ccc(C(=O)Nc2cccnc2)cc1 5934815 SBPVYXMOADINEL-UHFFFAOYSA-N 323.352 3.518 0 40 DHAB O=C(Cc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 6336755 MCDOGPVARFKDGP-UHFFFAOYSA-N 303.833 3.968 0 40 DHAB CN(C)C[C@@](C)(Oc1ccccc1)C(=O)c1ccc(Cl)cc1 6491038 OAOXFBKCIVXOJX-GOSISDBHSA-N 317.816 3.922 0 40 DHAB CC[C@H](C)[C@@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 6555314 YLLWFPVPWZUFOD-ORAYPTAESA-N 309.409 3.716 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)NCCCOC1CCCCC1 6988798 SHXWSTWOAPTSOM-UHFFFAOYSA-N 314.429 3.566 0 40 DHAB Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CCCO3)n2)c1 7723561 BHLPFLYEXBMBMM-AWEZNQCLSA-N 302.399 3.544 0 40 DHAB COc1ccc(CCOC(=O)c2cc3c(s2)CCC3)cc1 7779563 YYYVSFDIIHRRSH-UHFFFAOYSA-N 302.395 3.645 0 40 DHAB O=C(CCSc1ccc(F)cc1)NOCc1ccccc1 8096941 ZUUVIHAWDVGSGE-UHFFFAOYSA-N 305.374 3.556 0 40 DHAB Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1F 8188691 SESMNUSLQZEJLS-CQSZACIVSA-N 300.377 3.593 0 40 DHAB CN(Cc1ccccc1)Cn1nc(-c2cccs2)[nH]c1=S 8485362 VORRZMDWVSGUHW-UHFFFAOYSA-N 316.455 3.759 0 40 DHAB CC(C)[C@@H](C(=O)NCc1ccncc1)c1ccc(Cl)cc1 9322215 COMZZAPKAFOSHY-MRXNPFEDSA-N 302.805 3.791 0 40 DHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1F 9455060 BIBWYFAQOUBFSM-UHFFFAOYSA-N 311.356 3.916 0 40 DHAB Cc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 9995760 NUAFJIHNNGDNSC-UHFFFAOYSA-N 302.761 3.534 0 40 DHAB CC(C)[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1cccs1 12200593 HZTAIRYRTOXCGB-AWEZNQCLSA-N 317.458 3.963 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 12595073 QPEOGKSXDAUCIO-LBPRGKRZSA-N 303.793 3.791 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12943466 YIJQWKFLLUDJCP-KRWDZBQOSA-N 323.392 3.744 0 40 DHAB Nc1nnc(SCc2csc(Nc3ccccc3)n2)s1 13135357 MKQQTPXPHAYVCY-UHFFFAOYSA-N 321.456 3.613 0 40 DHAB Cc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1 13672353 KOYILZNFVPRKTL-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 13939106 RRJBXDDCUVLCCB-UHFFFAOYSA-N 303.855 3.833 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)c3ccc(F)cc3F)c2c1 13961388 VAEMEPLEFRASFK-UHFFFAOYSA-N 314.335 3.727 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)CSc1ccc(C)cc1 15402810 ODZZOKDYEVRLJP-CQSZACIVSA-N 315.438 3.973 0 40 DHAB CC(C)c1cc(=O)[nH]c(Nc2ccc(N3CCCCC3)cc2)n1 19942606 IHFMFAZSKODAML-UHFFFAOYSA-N 312.417 3.627 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc(C)nc2c1 22131546 IOXMRPRPTOVBAG-MRXNPFEDSA-N 310.353 3.932 0 40 DHAB Cc1nn(C)c(C)c1CNC(=O)C1CCC(C(C)(C)C)CC1 28305702 NBMXCNREJQDHRO-UHFFFAOYSA-N 305.466 3.506 0 40 DHAB Cc1ncc(-c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)o1 29953125 WTQZRSCYJZDSPP-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(Cl)c[nH]1 32768732 UHUACIDKINZDQW-UHFFFAOYSA-N 305.790 3.550 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)nc2)C1(C)C 32893111 DXQXIAWJRRIRGI-NVXWUHKLSA-N 313.445 3.859 0 40 DHAB CCc1noc(-c2ccccc2NC(=O)c2ccc(C)cc2)n1 33012686 SWTDHSCEGFGMHP-UHFFFAOYSA-N 307.353 3.860 0 40 DHAB COC(=O)c1c(CCc2ccc(Cl)cc2)cccc1OC 35973613 YMLPHEKUCBJBRX-UHFFFAOYSA-N 304.773 3.920 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1N 37275286 JMJLCDJUOGQIHM-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 38772669 NFJGYOXEMHLYQU-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CCCOc2ccc(F)cc2)o1 40050483 FSGZMDLVEGYNTE-ZDUSSCGKSA-N 305.349 3.764 0 40 DHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc[nH]c1=S 40536035 SBSHDNHEHHUNQV-SNVBAGLBSA-N 306.818 3.759 0 40 DHAB Cc1cccc(OCCNC(=O)Cc2ccc(Cl)cc2)c1C 41156599 NXAPUCCXLURINO-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB O=C(NCc1cccs1)N1CCCCC[C@H]1c1ccncc1 42838654 MVINYACLAIGDLR-INIZCTEOSA-N 315.442 3.970 0 40 DHAB Cc1cnc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)s1 54653512 KXFATDALQCOABA-KGLIPLIRSA-N 302.399 3.558 0 40 DHAB Cc1ccc(CN2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 55396218 VMEPRBAOEDBMPZ-UHFFFAOYSA-N 321.376 3.762 0 40 DHAB biogenic Cc1cc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)no1 58243966 INBDCYBUWXHPJJ-UHFFFAOYSA-N 323.396 3.793 0 40 DHAB CCCNC(=O)/C=C/c1cc2cc(Br)ccc2o1 67339378 PUUKDEIOOMAJKC-GQCTYLIASA-N 308.175 3.735 0 40 DHAB Nc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 72229789 QYSGOOUTROINHC-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1 72297257 YMNABLYBUQBHTB-GFCCVEGCSA-N 303.431 3.614 0 40 DHAB CS[C@H](C)c1cccc(NC(=O)N[C@@H](CO)c2ccco2)c1 76070409 KJSDOLCNHCOKGD-RISCZKNCSA-N 320.414 3.559 0 40 DHAB Cc1nc(CCNC(=O)C[C@@H](C)c2ccc(F)cc2F)cs1 89709085 JJXRPRPCFQJUCV-SNVBAGLBSA-N 324.396 3.582 0 40 DHAB N#CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 94992878 YXKUFDQHAMOKMC-UHFFFAOYSA-N 313.320 3.845 0 40 DHAB C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)CCCc2ccccn2)C1 95396327 DKTFZDJUOGKNNR-NUJGCVRESA-N 300.446 3.832 0 40 DHAB CC1(C)C[C@@H](NCCc2cn3ccccc3n2)c2ccccc2O1 95967253 YCKCDDPJTSJMMB-QGZVFWFLSA-N 321.424 3.769 0 40 DHAB Cc1ccc(CN2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)o1 96215869 JYTDMDGMDZPZMS-LJQANCHMSA-N 314.429 3.669 0 40 DHAB COc1ccc(CCCNC(=O)c2cc(C)c(C)cc2C)cc1 96727062 BHHJOLAETOCLEZ-UHFFFAOYSA-N 311.425 3.983 0 40 DHAB COc1ccc2oc([C@@H](C)N[C@H](C)c3nnc(C)o3)c(C)c2c1 97112131 WNFWQFFAZCZHGY-GHMZBOCLSA-N 315.373 3.853 0 40 DHAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)nc2)CC1 98175406 FLSQYNASYVVZSB-UHFFFAOYSA-N 312.797 3.513 0 40 DHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 113942762 FYGRRMJCWXSLRE-UONOGXRCSA-N 301.361 3.779 0 40 DHAB O=C(Nc1ccsc1)Nc1cccc(C(=O)N2CCCC2)c1 225550617 HCZGFJOPTNXYCD-UHFFFAOYSA-N 315.398 3.628 0 40 DHAB COc1ccccc1CCCNC(=O)c1ccc2c(c1)CCCC2 225631761 AVGHEZINFRHWPP-UHFFFAOYSA-N 323.436 3.937 0 40 DHAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)nc1 225897313 KYXZCVMUXFKTTC-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1 225907011 GPOWZLVHCHTAKV-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB Cc1ccc(OCC(=O)Nc2c(N)cccc2Cl)c(C)c1 226359098 KWVVGHRKCHNFMX-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1ccc(NC(=O)c2cc(Cl)cc3c2O[C@H](C)C3)cc1 252502996 UWTWTPGHWRWICU-SNVBAGLBSA-N 317.772 3.924 0 40 DHAB S=C(N[C@H]1CCCc2ccccc21)N[C@@H]1C[C@H]2CC[C@H]1C2 254379679 FPTCJJAESGOLQE-ZFZWDLNGSA-N 300.471 3.717 0 40 DHAB Cc1cc(CC[C@H]2CCCN2C(=O)c2cccs2)ccn1 257297676 RIKKRKJXMKGKLK-OAHLLOKOSA-N 300.427 3.689 0 40 DHAB COc1ccc(-c2ccc(OC(=O)c3ccc(F)cc3)nn2)cc1 408526763 BALQIABVXBTMAP-UHFFFAOYSA-N 324.311 3.511 0 40 DHAB Cc1cc([C@@H](C)N2CC=C(C(F)(F)F)CC2)oc1C(=O)O 565599974 GSUBUWLCCYFLRN-SECBINFHSA-N 303.280 3.542 0 40 DHAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ncccc1Cl 585085736 IKKQTXJBBCXNBI-SNVBAGLBSA-N 304.752 3.634 0 40 DHAB Cc1nocc1C(=O)N(C)C1c2ccccc2-c2ccccc21 1515687188 MWOAGRYHYPSMBL-UHFFFAOYSA-N 304.349 3.825 0 40 DHAB O=C(NCc1ccccn1)C(c1ccccc1)c1ccccc1 36057 ZANBIDZTNLETBY-UHFFFAOYSA-N 302.377 3.530 0 40 DHAB CC1(C)C(=O)O[C@@H](c2ccc(F)cc2)C2(CCCCC2)C1=O 53650 GYPSTFUVVSHSCM-AWEZNQCLSA-N 304.361 3.969 0 40 DHAB COC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1Cl 562865 XVMHHUNXEJTPRG-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB CCOC(=O)[C@@H](C[C@H](C(=O)O)c1ccccc1)c1ccccc1 1581057 JGVQIPKMDNEGKH-IRXDYDNUSA-N 312.365 3.592 0 40 DHAB CN(C)CCCNc1nnc(-c2ccccc2)c2ccccc12 1811764 SRCLHPZKSMAGKF-UHFFFAOYSA-N 306.413 3.660 0 40 DHAB CC(C)OC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2025059 QYWHGZPOSQMUDV-UHFFFAOYSA-N 304.173 3.664 0 40 DHAB CCCCCCOc1ccc(/C=C2\N=C(C)OC2=O)cc1OC 3117634 KVOBAZLCGXDISS-PTNGSMBKSA-N 317.385 3.970 0 40 DHAB biogenic Cc1cc(F)ccc1NC(=O)c1cc(F)c(F)c(F)c1F 3282386 LXQGWRSBDKFFEU-UHFFFAOYSA-N 301.214 3.943 0 40 DHAB Cc1ccc(-n2nc3c(c2NC(=O)CC(C)C)CSC3)cc1 4088692 NCYWVQVHKJVINZ-UHFFFAOYSA-N 315.442 3.912 0 40 DHAB Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)s1 5392452 MFEROJXXKMNBGJ-UHFFFAOYSA-N 320.845 3.672 0 40 DHAB O=C(Nc1ccc(Br)cn1)c1ccc(Cl)s1 5446760 VLKNXEBDPSCLSC-UHFFFAOYSA-N 317.595 3.811 0 40 DHAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 6231857 NVESGCWSTLREST-LBPRGKRZSA-N 323.314 3.962 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1C 6356061 XPSYBIYXGAGNCI-ULQDDVLXSA-N 305.462 3.814 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 6647916 LFXYTJMPRONPGJ-OAHLLOKOSA-N 305.381 3.672 0 40 DHAB Cc1sc2nc(CN3CCCCC3)nc(NC3CC3)c2c1C 6790061 ZXFRWQNTBQGOHG-UHFFFAOYSA-N 316.474 3.868 0 40 DHAB CSc1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 6847447 QZOAUGYNRMXTMK-SOFGYWHQSA-N 313.378 3.789 0 40 DHAB Cc1c(CSc2nnc(N)s2)noc1-c1ccc(F)cc1 7550305 SLVCIEHGMZZEGX-UHFFFAOYSA-N 322.390 3.515 0 40 DHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccccc2O1 7948834 BYTLPCXXYXCLND-CQSZACIVSA-N 323.270 3.527 0 40 DHAB O=C(Nc1cccc(Cl)c1)N1CCn2c1nc1ccccc12 8165453 KAZAFMJSEVGJEW-UHFFFAOYSA-N 312.760 3.742 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1cc(Cl)ccc1Cl 8555965 WULYTYHLBNCVKE-UHFFFAOYSA-N 305.230 3.853 0 40 DHAB CCCC(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 9064327 SMRKWGGPDFIKAS-CYBMUJFWSA-N 319.474 3.679 0 40 DHAB Cc1ccc(-c2ccnc3[nH]n(-c4ccc(C)cc4)c(=O)c23)cc1 10157155 WSFIFGWKOUAQIC-UHFFFAOYSA-N 315.376 3.998 0 40 DHAB Cc1ccc(CNc2nccn(-c3ccc(C)c(F)c3)c2=O)cc1 10273162 IEUUOYGYVWQZKU-UHFFFAOYSA-N 323.371 3.601 0 40 DHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 10404351 XALUJHXCJVJNSO-UHFFFAOYSA-N 312.369 3.512 0 40 DHAB Cc1cccc(NC(=O)c2ccc(COc3ccccc3)o2)n1 12644135 VDWAKRFHDHQADV-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB Cc1occc1C(=O)N[C@H](C)c1cccc(Br)c1 12972945 FDLYOCLNTJFBHH-SECBINFHSA-N 308.175 3.842 0 40 DHAB Cc1cnc(SCc2ccc(Cl)cc2Cl)[nH]c1=O 13597219 YPEUOIUNZAFPQF-UHFFFAOYSA-N 301.198 3.677 0 40 DHAB O=C(/C=C/c1ccccc1Cl)NCCCN1CCCCCC1 13674001 AGXBAFCUWIUWMR-ZHACJKMWSA-N 320.864 3.736 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 15331117 PGZLVBCAAYPOEY-LLVKDONJSA-N 307.752 3.563 0 40 DHAB CCOc1ncccc1C(=O)N[C@H](c1ccc(F)cc1)C(C)C 18135995 PIXNIZPTXNXPIX-INIZCTEOSA-N 316.376 3.747 0 40 DHAB Cc1c(C)n(C[C@H](O)CN[C@@H]2CCCC[C@H]2C)c2ccccc12 20060011 GDDCYANZONIPGV-LSBZLQRGSA-N 314.473 3.787 0 40 DHAB CCCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 20107413 MVXBYZAINQZIBY-CQSZACIVSA-N 313.397 3.975 0 40 DHAB OC1=Nc2n[nH]cc2[C@H](c2ccc(C(F)(F)F)cc2)SC1 20739456 IPGPXGSAKGVSDG-NSHDSACASA-N 313.304 3.853 0 40 DHAB CC(=O)c1c[nH]c(C(=O)OCc2ccccc2C(F)(F)F)c1 22003716 BKJWOKNTORZGMA-UHFFFAOYSA-N 311.259 3.593 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1 22527393 DLNPFGSKPRSOMP-MRXNPFEDSA-N 321.779 3.953 0 40 DHAB c1ccc2oc(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2c1 22530588 NQMXMJQXINKTNF-OAHLLOKOSA-N 322.364 3.941 0 40 DHAB O=C(COc1ccc(Cl)cc1)NCC1(c2cccs2)CC1 22679926 GNFHQPGVOBJJND-UHFFFAOYSA-N 321.829 3.628 0 40 DHAB O=C1/C(=C/c2ccc3ccccc3c2O)N=C2CCCCCN12 25326576 KZDXUCHIORNQTB-VBKFSLOCSA-N 306.365 3.701 0 40 DHAB Cc1cccc(OCC(=O)Nc2cc(-c3ccccc3)no2)c1C 27664445 KXLKHASXQQPPRL-UHFFFAOYSA-N 322.364 3.976 0 40 DHAB Cc1nc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)cs1 27865418 ZKCSKMWPWCDLMD-HNNXBMFYSA-N 301.415 3.674 0 40 DHAB O=C(c1ccc(Cl)cc1F)N1CCO[C@@H](c2ccccc2)C1 27908453 FNNQVFVNRXCCLM-MRXNPFEDSA-N 319.763 3.693 0 40 DHAB Cc1occc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 28303538 HZIBOBIPNNOWDS-UHFFFAOYSA-N 301.733 3.679 0 40 DHAB COc1ccc(CNCc2ccccn2)cc1OC1CCCC1 32228125 HUACAEASSNUCNB-UHFFFAOYSA-N 312.413 3.701 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)c(C)c1 32462068 VCHPUCPQVISKDQ-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB COc1cc(NC(=O)/C=C\c2ccc(C)o2)c(OC)cc1Cl 32572660 XIEXFPUKTYZFLB-SREVYHEPSA-N 321.760 3.911 0 40 DHAB C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1cccs1 32699222 VSFYWRTZXSAKEU-AWEZNQCLSA-N 315.438 3.674 0 40 DHAB O=C1CC(c2ccccc2)=NN1c1ccccc1Br 35778937 QVOVBBCEYGAUMF-UHFFFAOYSA-N 315.170 3.590 0 40 DHAB in-vitro C[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)C[C@@H](C)O1 36022441 LKWNBNQTKONFGF-CHWSQXEVSA-N 301.411 3.665 0 40 DHAB CC(=O)c1nnc(-c2cccs2)n1Nc1ccc(Cl)cc1 36649152 ARRFIWXYHNMCAI-UHFFFAOYSA-N 318.789 3.738 0 40 DHAB Cc1ccccc1NC(=O)CN1CCC(c2cccs2)CC1 38882442 BHKDQERRPNFJKB-UHFFFAOYSA-N 314.454 3.875 0 40 DHAB Cc1cc2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc2[nH]1 40081312 ONWJSWUSZOQURZ-XVNBXDOJSA-N 320.348 3.857 0 40 DHAB O=C(Nc1ccc2ccccc2n1)c1ccc(C(F)(F)F)nc1 41894441 BZAAVQQJXREUHG-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(OCCn3ccnc3)c2)cc1 42706651 LFHAOAGGNMBBFJ-UHFFFAOYSA-N 321.380 3.523 0 40 DHAB CCc1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)[nH]n1 51315578 ZDZURCQDXBLJCN-UHFFFAOYSA-N 321.380 3.900 0 40 DHAB CCN(C(=O)COC(=O)c1ccc(C)c(C)c1)c1ccccc1 51356761 IQCMSQCDRCHSJA-UHFFFAOYSA-N 311.381 3.513 0 40 DHAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2CCCC2)c1 58201836 VUSJJGBFCQYTRT-UHFFFAOYSA-N 322.836 3.949 0 40 DHAB COc1ccc(Cl)c2sc(NCCCn3ccnc3)nc12 61968153 ORKSPYOCMRAQAV-UHFFFAOYSA-N 322.821 3.657 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)o1 71916147 IBYYDXCBTMSXRX-CYBMUJFWSA-N 318.348 3.570 0 40 DHAB CCCOc1ccc([C@@H](C)N[C@H](C)c2nnc(C)o2)cc1OC 72281406 VBJCLMFNRHYJPY-VXGBXAGGSA-N 319.405 3.587 0 40 DHAB CC(=O)CCCOC(=O)c1c(-n2cccc2)sc(C)c1C 75572274 KAIOHPRZNTUNMS-UHFFFAOYSA-N 305.399 3.682 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc2ncccc12 76384546 WBCBAEOIIPKXRC-KDOFPFPSSA-N 312.413 3.560 0 40 DHAB CC(C)c1ccc(-c2csc(CN3CCOCC3)n2)cc1 78594693 ZWWWPBWSSOCJRO-UHFFFAOYSA-N 302.443 3.766 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)C)c1 78793459 RROQFPCQJTVHLF-UHFFFAOYSA-N 310.397 3.694 0 40 DHAB COc1ccc(NCc2nc(-c3cccc(C)c3)no2)cc1F 79172389 SYJLYIFPUGWMJL-UHFFFAOYSA-N 313.332 3.805 0 40 DHAB Cc1nc(-c2cccs2)sc1CNC(=O)c1ccncc1 85470945 LIDZONALZFOIAI-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCOC2(CCCC2)C1 95422733 KHHOCRAGKYZEEW-OLZOCXBDSA-N 319.367 3.527 0 40 DHAB O=C(Cc1ccco1)O[C@@H](c1cccc(F)c1)c1ccccn1 95447842 VHUNPKSBJCHVFX-SFHVURJKSA-N 311.312 3.689 0 40 DHAB COc1ccc(CC(=O)O[C@@H](C)C(Cl)(Cl)Cl)cc1 95997368 JYIWOQSMGYXHNB-QMMMGPOBSA-N 311.592 3.540 0 40 DHAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncc(-c2ccccc2)o1 96436877 DXXOTKFQKODPAO-NSHDSACASA-N 320.352 3.684 0 40 DHAB CC[C@H](NCc1nnc(-c2cccs2)o1)c1c(C)noc1C 97374060 PZDZCJDLJNLOGG-NSHDSACASA-N 318.402 3.644 0 40 DHAB CC(C)Oc1ccccc1C(=O)Nc1nnc(C(C)(C)C)s1 105953969 JGDCECHWIAUTJK-UHFFFAOYSA-N 319.430 3.875 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccn(-c3ccccc3)n1)C2 107332018 DZNDGAAVTJRTLQ-VHFSOBRXSA-N 323.440 3.817 0 40 DHAB FC(F)(F)Cn1ccnc1CNC12CC3CC(CC(C3)C1)C2 191444891 RSZZTVNKYUREFY-UHFFFAOYSA-N 313.367 3.504 0 40 DHAB CO[C@@H](CSCc1cn(C)nc1C(F)F)c1ccccc1 225792398 FMKKSXPMLVVYOC-ZDUSSCGKSA-N 312.385 3.979 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(N)c(Cl)cc1Cl 226304475 GNAXADNKGOZIBR-DTORHVGOSA-N 301.217 3.979 0 40 DHAB Cc1cc(C)c(OCC(=O)Nc2ccc(N)cc2C)c(Cl)c1 227145292 CETIGJJVPUUQJS-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)n1ccnc1 408734088 IIWBFLOYWKZGQL-INIZCTEOSA-N 311.772 3.765 0 40 DHAB O=C(Nc1cccc2c1OCCC2)c1ccc(C(F)F)nc1 585090899 XYOPNVOKHOPESS-UHFFFAOYSA-N 304.296 3.597 0 40 DHAB Cc1nccc([C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)n1 862230934 JSZFYTDQGPLMPX-QGZVFWFLSA-N 306.413 3.646 0 40 DHAB CN(C1CCCCC1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 2037795299 XIXSVJWSWYVABC-QYZOEREBSA-N 303.446 3.612 0 40 DHAB Cc1cccc(OC(=O)c2cncc(Br)c2)c1C 364183 LPQOHBCYBJMDQY-UHFFFAOYSA-N 306.159 3.680 0 40 DHAB O=C1OC(c2ccco2)=N/C1=C/c1ccc(Cl)cc1Cl 365355 ZXQIPXWURBZHRX-IZZDOVSWSA-N 308.120 3.931 0 40 DHAB O=C(CNC1CCCCC1)Nc1nc(-c2ccccc2)cs1 411818 QSPFPWBSVQBMJF-UHFFFAOYSA-N 315.442 3.671 0 40 DHAB Cc1cccc(CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 571752 IWUHDSDDEMUSRS-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB Cc1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)[C@H](C)O2 1328423 MHCINTVGUOCUBG-LBPRGKRZSA-N 301.773 3.963 0 40 DHAB CCOC(=O)C/C(=C/c1ccccc1)OC(=O)Cc1ccccc1 2077539 DOOZFRDOPGUQSF-AQTBWJFISA-N 324.376 3.767 0 40 DHAB COc1cccc(/C=C/C(=O)NCc2ccccc2Cl)c1 2617081 STQYJYZYOXFODH-MDZDMXLPSA-N 301.773 3.678 0 40 DHAB CCc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2O)cc1 3403307 OVFUVPGNPQVAFT-UHFFFAOYSA-N 318.756 3.648 0 40 DHAB CCc1cccc(C)c1NC(=O)CN1c2ccccc2C[C@H]1C 3536991 XLYUORHQYUJDQJ-OAHLLOKOSA-N 308.425 3.947 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3c(C)cc(C)cc3C)C(=O)[C@@H]21 4188229 KJGGFEKXMLNCIU-MVJTYMMSSA-N 321.420 3.870 0 40 DHAB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccc(F)cc1 5308543 MDPZURNWAAOQJN-SNVBAGLBSA-N 318.369 3.804 0 40 DHAB C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(F)cc1 5617291 ZHQQVZCPLUAYAT-LBPRGKRZSA-N 307.365 3.666 0 40 DHAB CC[C@@H](OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1 6356119 FWILNCFMKJDLDO-OGWHTMIXSA-N 305.462 3.778 0 40 DHAB Sc1nnc(Cc2cccs2)n1-c1ccc(Cl)cc1 6659503 UEWINKKSVOHTAC-UHFFFAOYSA-N 307.831 3.862 0 40 DHAB CSc1ccccc1NC(=O)c1noc2c1C[C@H](C)CC2 7000217 MZYZPQFCPDRRFP-SNVBAGLBSA-N 302.399 3.774 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1F 7947013 NAQYECNGVDFJCB-GOSISDBHSA-N 324.355 3.728 0 40 DHAB COc1ccccc1NC(=O)CNc1cccc2ccccc12 7955292 ATIYCQUGZUIUAQ-UHFFFAOYSA-N 306.365 3.899 0 40 DHAB CCC(=O)Nc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 8772380 UXERAWBDXACEGO-UHFFFAOYSA-N 317.414 3.753 0 40 DHAB CC(C)CC(=O)Nc1nnc(CSc2ccccc2)s1 9667434 WKDNOAFQDPYFSQ-UHFFFAOYSA-N 307.444 3.815 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 9899971 ADNUEZVXNDCGPT-JXMROGBWSA-N 320.367 3.905 0 40 DHAB COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 11916449 BZIYSSTVABWYLI-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB O=C(NCc1cc(-c2cccs2)on1)c1ccc(F)c(F)c1 12235773 KNDOIHSEOMRMFL-UHFFFAOYSA-N 320.320 3.611 0 40 DHAB O=C(O)c1ccccc1SCc1nc(-c2ccccc2)no1 12750341 TYTWZXRVATWDNS-UHFFFAOYSA-N 312.350 3.727 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)cc1C 12752712 HQSGVRCLEBVDAC-GOSISDBHSA-N 315.438 3.829 0 40 DHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1cccc(C(F)(F)F)c1 12883027 OFAAQNBZBCYXBJ-PHIMTYICSA-N 321.364 3.657 0 40 DHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 13940752 LBJKBXOOSSWJNK-AOOOYVTPSA-N 322.257 3.660 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2Cl)c(OC)c1 16017701 MENBJWXFEUBORI-LLVKDONJSA-N 319.788 3.848 0 40 DHAB O=C(NCc1cccnc1)c1ccccc1Cc1ccccc1 17168878 QDSPCEIJVZSNMB-UHFFFAOYSA-N 302.377 3.602 0 40 DHAB COc1ccccc1[C@H]1S[C@@H](C)C(=O)N1c1ncc(C)s1 19927591 JBPMMIZVSMMQRM-IINYFYTJSA-N 320.439 3.627 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1O 21524224 KPZWAUNGPSVJPK-UHFFFAOYSA-N 301.773 3.507 0 40 DHAB Cc1ccc2cccc(NC(=O)COc3ccc(F)cc3)c2n1 21525222 GQJMLVFYNPLJBF-UHFFFAOYSA-N 310.328 3.700 0 40 DHAB COc1ccc(Cl)cc1CN[C@H](C)[C@H](O)c1ccccc1 22076440 RVTKBHTVBGBRTR-PXAZEXFGSA-N 305.805 3.560 0 40 DHAB COc1cc(C)c(Nc2nccc(C(F)(F)F)n2)cc1OC 24053168 SESPHSHDZFNOIK-UHFFFAOYSA-N 313.279 3.565 0 40 DHAB CC(=O)N[C@H](CC(=O)N[C@H](C)CCC(C)C)c1ccc(C)cc1 25349409 RKEHKCSRAHWVKU-CRAIPNDOSA-N 318.461 3.503 0 40 DHAB CCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 27581886 IFEKPPILQYZJHT-GOSISDBHSA-N 302.462 3.828 0 40 DHAB Cc1cccc(NC(=O)NCC2(c3ccccc3)CCOCC2)c1 31094868 XUQCMJGKDJMMFB-UHFFFAOYSA-N 324.424 3.865 0 40 DHAB Nc1nnc(SCc2c(Cl)cccc2Cl)n1C1CC1 32779983 VZCKFDCORDQTAX-UHFFFAOYSA-N 315.229 3.794 0 40 DHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)C[C@H]1C=CCC1 40108484 WDYHRMDSDNDQSU-STQMWFEESA-N 322.246 3.853 0 40 DHAB Cc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)cc1 40174587 XRDSCVLIFDLYFU-UHFFFAOYSA-N 321.409 3.949 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1 40294716 JQRXVNZSQJKULT-DTORHVGOSA-N 301.217 3.694 0 40 DHAB Cc1ccc(OCC(=O)N2CCSc3ccccc32)cc1C 41155140 VWBNNBKFJLZMBP-UHFFFAOYSA-N 313.422 3.821 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1 42048686 CFMWEIHPZJWQFQ-UHFFFAOYSA-N 310.397 3.696 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)C1=C[C@@H]3C=C[C@H]4C=C[C@H]1[C@@H]43)C2 45070534 NEXIGXOTTLWWTF-WFQXZKQWSA-N 309.453 3.862 0 40 DHAB Cc1cc(N)cc(C)c1NC(=O)c1ccccc1Br 45888782 HHMSEMGVJMBUBA-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB O=C(Nc1cccc(F)c1F)c1ccc(Cl)nc1Cl 60246849 BMISPPHWNHAMAQ-UHFFFAOYSA-N 303.095 3.919 0 40 DHAB O=S(=O)(Cc1nc2ccccc2s1)c1ccccc1Cl 60916669 ANEGUOKDSGJINX-UHFFFAOYSA-N 323.826 3.924 0 40 DHAB Cn1c(CN[C@@H]2CCCOc3ccccc32)nc2ccccc21 66991482 IPPQWAQHCXGPPI-OAHLLOKOSA-N 307.397 3.577 0 40 DHAB COc1ccccc1[C@@H]1CCCN1C(=O)Cc1cccs1 68814031 GCDXAQMIBWKZQA-HNNXBMFYSA-N 301.411 3.663 0 40 DHAB COc1ccccc1-c1cc(CC[C@@H]2CCCN2C(C)=O)ccn1 72365801 ACWSIEPQNZGEPH-KRWDZBQOSA-N 324.424 3.701 0 40 DHAB COC(=O)c1cc(N)cc2nc(-c3cccc(Cl)c3)oc12 73641927 DPESBNJGXQXVTM-UHFFFAOYSA-N 302.717 3.517 0 40 DHAB FC(F)(F)c1cnc(NCc2nc(C3CC3)no2)c(Cl)c1 76871164 BLRAWTCCWCHESD-UHFFFAOYSA-N 318.686 3.626 0 40 DHAB CCSC[C@@H](C)N(C)C(=O)c1ccc2[nH]c(=S)oc2c1 78966788 MIFHBGRAKQYNAP-SECBINFHSA-N 310.444 3.704 0 40 DHAB O=C([C@@H]1SCCc2ccccc21)N(Cc1cccnc1)C1CC1 79449670 AHMFVAZWYZJIFN-GOSISDBHSA-N 324.449 3.603 0 40 DHAB CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccco2)s1 80542880 MLGIATRKXLJPHS-NSHDSACASA-N 307.419 3.510 0 40 DHAB C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1csc(C2CC2)n1 84667550 DGZMPYHTLQHXJD-FIKIJFGZSA-N 320.483 3.609 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2ccsc2)C1 89919323 QRHSULKBNDXXDQ-INIZCTEOSA-N 324.446 3.724 0 40 DHAB CCC[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccn1 95350494 VKGZCXINBIXQPZ-IAGOWNOFSA-N 301.434 3.897 0 40 DHAB CC[C@@H](c1ccc(F)cc1F)[S@](=O)CC1CCOCC1 95439191 SYKZMCYVMUYRRV-YWZLYKJASA-N 302.386 3.591 0 40 DHAB Fc1ccc(-c2nc3nccc(-c4ccco4)n3n2)cc1Cl 95473658 PUEJYLQGTWYFGG-UHFFFAOYSA-N 314.707 3.844 0 40 DHAB O=C(NCC(F)(F)F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 95961421 CMGCQWDLLPNWBM-UWVGGRQHSA-N 312.118 3.775 0 40 DHAB CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cccc(CO)c2)c1 95988794 ITIVZQKDAXNEIL-KBPBESRZSA-N 312.413 3.549 0 40 DHAB CC(C)(C)Oc1ncccc1OCCCOCC(F)(F)F 96003768 GNLHMKOYQGTBBS-UHFFFAOYSA-N 307.312 3.607 0 40 DHAB Cc1ccc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)cn1 96456260 RAWXCZUMYTWHIS-JTQLQIEISA-N 316.304 3.615 0 40 DHAB C[C@H](C(=O)NCCC1=CCCCC1)N(C)Cc1cccc(F)c1 96971642 DQLHTBBJLWUJGS-OAHLLOKOSA-N 318.436 3.653 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 101987015 WWTOWJSXIYROPR-BTQIBKBOSA-N 313.228 3.943 0 40 DHAB CCOc1ccc(CN(C)C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 110515996 YGMORZHJFDBGKQ-YQQAZPJKSA-N 318.486 3.580 0 40 DHAB c1ccc(-c2nnc(N(Cc3cccnc3)C3CC3)s2)cc1 153176704 CGHCKZXVBCABHW-UHFFFAOYSA-N 308.410 3.769 0 40 DHAB O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccon1 194419346 JLQVIVOEDSYBEM-UHFFFAOYSA-N 322.189 3.547 0 40 DHAB CCc1onc(C)c1NC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 195553001 ODYLYHYTIKBPHV-DZGCQCFKSA-N 323.437 3.651 0 40 DHAB CCOC(=O)c1ccc(NC(=S)NCCC(C)C)c(C)c1 225380540 UBOCPXHRIFVNND-UHFFFAOYSA-N 308.447 3.504 0 40 DHAB CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccccc1 225482738 NPJQWAYHZLUOIL-CYBMUJFWSA-N 301.415 3.528 0 40 DHAB CN(Cc1ccccc1)C(=O)c1snnc1-c1cccs1 225789481 ONCMFPXLSUQUNX-UHFFFAOYSA-N 315.423 3.539 0 40 DHAB COCCC1(NC(=S)Nc2ccc(C)c(C)c2)CCCC1 225843211 GIXVNZPBQHNBDC-UHFFFAOYSA-N 306.475 3.939 0 40 DHAB CSc1nccc(Nc2ccc3sc(C(=O)O)cc3c2)n1 226105617 LDAHQNNKAUYVPD-UHFFFAOYSA-N 317.395 3.855 0 40 DHAB Cc1ncc2cncc([C@H]3CCCN(Cc4ccccc4F)C3)n12 257211336 BYNANVUAGDRGBO-INIZCTEOSA-N 324.403 3.556 0 40 DHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1F 409372298 YMTBLMOTDKHHSS-CQSZACIVSA-N 318.373 3.594 0 40 DHAB C[C@@H]1CCN(Cc2ccc3oc(C(=O)O)cc3c2)CC1(C)C 576999453 YVVAIVKPSVMWCG-GFCCVEGCSA-N 301.386 3.999 0 40 DHAB CCC(CC)C(=O)N1CC(n2c(C(C)C)nc3ccccc32)C1 1888869500 IKIBCWMIAWNRAN-UHFFFAOYSA-N 313.445 3.979 0 40 DHAB COc1ccccc1CNc1ncnc2c1[nH]c1ccc(F)cc12 549519 HDGIAKCMURNKTM-UHFFFAOYSA-N 322.343 3.871 0 40 DHAB CCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1 1381796 VRCVESQFEBCCJS-UHFFFAOYSA-N 303.365 3.560 0 40 DHAB O=C1Nc2ccccc2/C1=C\NCc1ccccc1C(F)(F)F 2365483 LOBZGOFWKDAZPE-JLHYYAGUSA-N 318.298 3.788 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)ccc1C 2654822 XQDOGGYNJAZNLH-UHFFFAOYSA-N 312.365 3.872 0 40 DHAB O=C(CCc1nc2ccccc2s1)N1CCc2ccccc21 3270257 KRQARAKUFAZTFY-UHFFFAOYSA-N 308.406 3.818 0 40 DHAB Cc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)o1 4543384 LACGJSHPVBNHBT-RTHLEPHNSA-N 302.399 3.628 0 40 DHAB O=C(O)c1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1 4688508 REWMALDCUMYVEA-UHFFFAOYSA-N 312.350 3.958 0 40 DHAB CCCN1C(=O)c2[nH]nc(C)c2[C@H]1c1ccc(Cl)cc1Cl 4909661 GXQUQRSZLYEQMX-CQSZACIVSA-N 324.211 3.980 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)c(F)c1 5692107 WONGXTPAOIIQGZ-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB COc1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 6348428 YIDNFTLPZKUVRU-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB CCSc1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 6355822 SQUIBNFYZIEROM-JTQLQIEISA-N 307.444 3.782 0 40 DHAB CCCCc1ccc(NC(=S)NC2CCN(CC)CC2)cc1 7368728 LXYAIUHADNUYBY-UHFFFAOYSA-N 319.518 3.800 0 40 DHAB COc1cccc(CNC(=S)Nc2ccc(Cl)cc2)c1 7967209 WNNUFWWFZDWUQP-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccco2)cc1Br 8360425 YAYHRCOYDZGVMU-SECBINFHSA-N 324.174 3.542 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(F)c(F)c1 9071019 ANXYLYUAVBSDMA-UHFFFAOYSA-N 323.343 3.612 0 40 DHAB Cc1cnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 10029994 VLOLVHFYQJCBLC-UHFFFAOYSA-N 315.442 3.690 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 11203954 ZKWTVJAEZOLAAP-SFHVURJKSA-N 311.381 3.585 0 40 DHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 12980949 IHQZXUHYUCWEDP-UHFFFAOYSA-N 317.772 3.683 0 40 DHAB COc1cccc(C2=C[C@@H](c3ccc(C)cc3)n3ncnc3N2)c1 13127619 PLVFDXJRAHWQPA-SFHVURJKSA-N 318.380 3.651 0 40 DHAB CCn1c(=O)sc2cc(NC(=O)c3ccc(C)cc3)ccc21 15830600 IEPJZQGKRDSDQX-UHFFFAOYSA-N 312.394 3.644 0 40 DHAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)NCc1ccco1 15867451 RZOLPNAVQRPXCH-UHFFFAOYSA-N 313.328 3.928 0 40 DHAB CCCCCCNC(=S)NCCc1c[nH]c2ccccc12 16638098 XTMLHKZXDQOLBL-UHFFFAOYSA-N 303.475 3.755 0 40 DHAB O=C(COc1cccc2ccccc12)NCCCc1ccccc1 17298167 YPYMBADBCYVUAH-UHFFFAOYSA-N 319.404 3.968 0 40 DHAB CN(C)CCNCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 20548456 SJTZTKSEPKJZMN-MOPGFXCFSA-N 318.505 3.517 0 40 DHAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCCCCC1 21897524 SXFBQCBWXGRSTN-UHFFFAOYSA-N 301.415 3.551 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H](C)C[C@@H](C)C1 26466607 CQUXPSSVNJRRNB-SCRDCRAPSA-N 308.853 3.953 0 40 DHAB Cc1ccc([C@H](CNC(=O)C(C)C)N2CCCCCC2)cc1 27662459 WGEQKDFGDBCSCQ-SFHVURJKSA-N 302.462 3.684 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1 28219861 HPLJZZYPTIJWNZ-UHFFFAOYSA-N 322.368 3.833 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(C)c(F)c2)c1 30273898 HSRMAJWCWWPBRD-GFCCVEGCSA-N 314.360 3.584 0 40 DHAB CCN(C(=O)c1cc(=O)c2cc(C)ccc2o1)c1ccccc1 32737950 HOCVMUSJKIPFFR-UHFFFAOYSA-N 307.349 3.768 0 40 DHAB CCC[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1 32738446 GPWSBZCDGBAVAX-LJQANCHMSA-N 324.424 3.594 0 40 DHAB CCc1cccc(NC(=O)Cc2sc(SC)nc2C)c1 32855921 DGSONHFGXSPLKR-UHFFFAOYSA-N 306.456 3.917 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)Nc1ccc2ccccc2n1 32914210 OEUQMNDEYAWZQO-CQSZACIVSA-N 306.365 3.779 0 40 DHAB Cc1cc(C(=O)CN2CCc3ccccc3C2)c(C)n1C1CC1 35414079 ALMHCQSOWWRJJI-UHFFFAOYSA-N 308.425 3.681 0 40 DHAB O=C(COc1cccc(Cl)c1)N[C@H](c1ccccc1)C1CC1 36638327 RYWJMQLLAAMYIA-GOSISDBHSA-N 315.800 3.986 0 40 DHAB CCCNC(=O)Nc1sc2c(c1C(=O)OCC)[C@H](C)CCC2 36646045 YXWORNBWAPYZMN-SNVBAGLBSA-N 324.446 3.896 0 40 DHAB c1ccc2sc(N3CCN(C4CCCCC4)CC3)nc2c1 39046808 DDWKFSULGYOHOY-UHFFFAOYSA-N 301.459 3.751 0 40 DHAB O=S(=O)(c1cccs1)N(C1CC1)[C@@H]1CCc2ccccc21 40155809 RPYOLXVOHZNCMQ-OAHLLOKOSA-N 319.451 3.589 0 40 DHAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 44790122 GYPZEYWXRZTKMK-GDBMZVCRSA-N 322.880 3.857 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1Cl 44881029 DMBLVMVKMRVJGF-MRXNPFEDSA-N 321.779 3.953 0 40 DHAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1c1ccncc1 48368431 NJUIRXZVOOCAFH-MRXNPFEDSA-N 307.378 3.914 0 40 DHAB C[C@H](c1ccco1)N(C(=O)Cc1ccc2c(c1)CCO2)C1CC1 56183370 NDUSVCYHONIMME-CYBMUJFWSA-N 311.381 3.509 0 40 DHAB COCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 59484650 HVBLEJGELUEJLB-UHFFFAOYSA-N 314.429 3.923 0 40 DHAB CC(C)c1cccc2c1ncc1c(=O)n(-c3ccccc3)[nH]c12 64873752 JXKBUKZQJDVXDE-UHFFFAOYSA-N 303.365 3.990 0 40 DHAB Cc1cc2cc(NC(=O)Cc3cn4cccc(C)c4n3)ccc2[nH]1 65534149 VGVKSJCJJLSQAB-UHFFFAOYSA-N 318.380 3.614 0 40 DHAB O=C(CC(F)(F)F)N(CCc1ccccc1)Cc1ccncc1 69453006 AHFJBWCGWCSDGL-UHFFFAOYSA-N 322.330 3.605 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)N1CC[C@H](N2CCCC2)C1 69808455 OJAMGIXCABRHQG-HNNXBMFYSA-N 315.461 3.686 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)on1 71820951 KNMOYCIFRSDFDB-GFCCVEGCSA-N 302.399 3.511 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)C(=O)[C@]2(C)CC2(Cl)Cl)s1 71883162 QEELLKWSCAVASG-UFBFGSQYSA-N 321.273 3.863 0 40 DHAB O=C(Cc1cccnc1)N1CCC[C@H]1c1cccc(Cl)c1 78927051 DUUUVHYMVHDMOT-INIZCTEOSA-N 300.789 3.641 0 40 DHAB CCN(C)c1cccc(NC(=O)N[C@H](C)c2c(C)noc2C)c1 79306165 ZKSNVZABBJVBAA-LLVKDONJSA-N 316.405 3.630 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)c1cc2cc(C)c(C)cc2o1 79753486 VPMYXLNMASTCKH-CQSZACIVSA-N 301.386 3.548 0 40 DHAB CC[C@@H](CNCc1ccc([S@@](C)=O)cc1)c1ccccc1 85298538 KUTAHDNOOTYVIX-KKSFZXQISA-N 301.455 3.707 0 40 DHAB Fc1ccc(NCc2cscn2)c(OCC(F)(F)F)c1 89793403 BSHOEFVTHJCFHG-UHFFFAOYSA-N 306.284 3.835 0 40 DHAB CN(C)c1ccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)nc1 96013117 DNERJNGCIXSDGJ-MRXNPFEDSA-N 316.449 3.724 0 40 DHAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(Oc2cccnc2)c(F)c1 96422437 FVPQTRHDRYPKQQ-TYNCELHUSA-N 314.360 3.846 0 40 DHAB CCCc1onc(C)c1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 97035400 OMIDYPVSEHPVLX-UHFFFAOYSA-N 322.748 3.539 0 40 DHAB CC[C@@H](NCc1cc(C)on1)c1nc(C(F)(F)F)cs1 97111022 XNHGGISNSMEALC-SECBINFHSA-N 305.325 3.699 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1cccc(Cl)c1Cl 175208699 QLEMVQQWNOLTHX-UHFFFAOYSA-N 321.207 3.948 0 40 DHAB CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 204873162 GDCWRZSVPZHRFN-UHFFFAOYSA-N 315.316 3.531 0 40 DHAB CCCCOCc1cc(C(=O)N[C@H](C)CC)ccc1OCC 224723634 ZPSJBIXAMLFUCR-CQSZACIVSA-N 307.434 3.930 0 40 DHAB CCNC(=O)c1cc(NC(=O)N2CCCCCCC2)c(C)s1 585135395 HJDDCFDIXPCECV-UHFFFAOYSA-N 323.462 3.604 0 40 DHAB S=C(c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 1730957 IYMHQTNBCXLRBV-UHFFFAOYSA-N 322.886 3.899 0 40 DHAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 2735067 OZQBWWHZFANMHF-FQEVSTJZSA-N 322.452 3.557 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCCCc1ccccc1 3359762 GVIIQUBAGUMSNH-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB Fc1ccccc1COc1ncnc2sc3c(c12)CCC3 3366472 GZQXKVSODXSMBL-UHFFFAOYSA-N 300.358 3.898 0 40 DHAB Cc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 3515423 YUXONKPZDNIHGU-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB c1ccc([C@@H]2C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744883 CPGHRHMJQUGJTA-UONOGXRCSA-N 306.321 3.736 0 40 DHAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccccc3)n2)c1 6556999 XOGGVMYUVIDAPO-UHFFFAOYSA-N 324.409 3.511 0 40 DHAB Cc1cccc(NC(=O)CN(C)Cc2ccccc2Cl)c1 6881010 YVVKOYGWWOTRAS-UHFFFAOYSA-N 302.805 3.719 0 40 DHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1cnc2ccccc2c1 6920080 WPXYCYGPKMWOHV-UHFFFAOYSA-N 322.339 3.976 0 40 DHAB O=C(OCc1cc(-c2ccccc2)on1)c1ccc(F)c(F)c1 8370590 QEYIKHUILLBOIS-UHFFFAOYSA-N 315.275 3.977 0 40 DHAB COc1ccc(OC)c(C(=O)Nc2ccccc2OC(F)F)c1 8777295 LHTUAGBLKTVUNN-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB C[C@@H](Nc1ccc2c(c1)OCO2)c1nnc(-c2ccccc2)o1 9745181 BDNAUVXIFVZGPT-LLVKDONJSA-N 309.325 3.638 0 40 DHAB CCC(CC)NC(=O)N(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1 9885564 BGYKAUREOXJEGW-AWEZNQCLSA-N 319.449 3.542 0 40 DHAB CCOc1cc2ccccc2cc1C(=O)NCc1cccnc1 12533879 ZDVKBXCRNGCCDE-UHFFFAOYSA-N 306.365 3.564 0 40 DHAB Cc1ccc2[nH]c(=O)c(CNc3cc(Cl)ccc3O)cc2c1 13561625 BBBKVJSAMIIKEO-UHFFFAOYSA-N 314.772 3.808 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)CCCOc1ccccc1 14396291 JLUKYVUODIRDLB-KRWDZBQOSA-N 311.425 3.983 0 40 DHAB COC(=O)c1ccc(CN(C)[C@H]2CCCc3ccccc32)cc1 15261613 FBZFVQZLSYXZMR-IBGZPJMESA-N 309.409 3.983 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1Cl 16101276 OJEBQHHLNNZRBS-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB COc1ccccc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 18175517 RWZBXCUBCFKACD-JTQLQIEISA-N 306.312 3.856 0 40 DHAB Cc1cccnc1-c1cc(O)n2nc(-c3ccccc3)c(C)c2n1 19237878 MXQJXBIXYMGMON-UHFFFAOYSA-N 316.364 3.781 0 40 DHAB COc1ccc(C(C)=O)cc1CN1CCc2sccc2C1 21418566 YFAHLVRKSXAGKY-UHFFFAOYSA-N 301.411 3.518 0 40 DHAB O=C(Nc1ccc(N2CCCC2)cn1)c1cc2ccccc2o1 25661173 XGPYYLWBXMTSSP-UHFFFAOYSA-N 307.353 3.680 0 40 DHAB COC[C@H](C)NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 27471624 SQEVXADPUQTUOM-VIFPVBQESA-N 324.833 3.537 0 40 DHAB Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@@H](C(C)C)C1=O 31080746 NFJAPKMFBRONFZ-INIZCTEOSA-N 316.445 3.677 0 40 DHAB CC(C)Oc1ccc(CCNC(=O)c2ccc[nH]c2=S)cc1 31292391 MTZLMEOXPDOZFD-UHFFFAOYSA-N 316.426 3.504 0 40 DHAB c1ccc([C@H](NCc2cccnc2)c2ccc3c(c2)OCO3)cc1 31815610 XXCJLFIXRLSAFZ-FQEVSTJZSA-N 318.376 3.690 0 40 DHAB O=C(/C=C/c1cccs1)Nc1cccc(Oc2ncccn2)c1 32027737 ICXHWNHVNAKNOI-BQYQJAHWSA-N 323.377 3.982 0 40 DHAB CC(C)C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 32350356 PFECIIXPCNIQRC-QGZVFWFLSA-N 307.397 3.619 0 40 DHAB Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccccc3C)n2)c1 34791712 QALWDGKZMBSEQV-UHFFFAOYSA-N 321.380 3.843 0 40 DHAB COC(=O)c1cc(NC(=O)NC2CCCCC2)ccc1Cl 36110549 WURQXTKLLSJHFV-UHFFFAOYSA-N 310.781 3.581 0 40 DHAB CCOc1ccc(-n2c(S)nnc2-c2ccccc2C)cc1 36724591 SBSZGHWCVJRPDP-UHFFFAOYSA-N 311.410 3.930 0 40 DHAB O=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)Br)cc1 39284888 ZLZLAKZHPLUEBQ-UHFFFAOYSA-N 318.020 3.554 0 40 DHAB Cc1c(C(=O)NCc2ccc(Cl)s2)cnn1C(C)(C)C 40141915 SLRTYTMSJLVQGY-UHFFFAOYSA-N 311.838 3.591 0 40 DHAB Clc1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42772919 HTZXZHIJIMTRPU-JTQLQIEISA-N 318.642 3.871 0 40 DHAB FC(F)(F)[C@@H]1CCC[C@@H](NCc2c[nH]nc2-c2cccnc2)C1 42959980 DFZUBZOXCPZJDB-ZIAGYGMSSA-N 324.350 3.682 0 40 DHAB C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cccnc2)cc1 53720504 FNKBFXZVBDRAJY-HNNXBMFYSA-N 309.413 3.708 0 40 DHAB c1ccc([C@H]2CCN(Cc3csc(-c4ncccn4)n3)C2)cc1 69894799 DXSXYUOEBGQCOP-HNNXBMFYSA-N 322.437 3.590 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2cc(F)cc(F)c2)c1 71761008 WHMSUTDCLQBCKU-UHFFFAOYSA-N 322.336 3.560 0 40 DHAB Cc1ccc(C(=O)Nc2cc(N(C)C)c(N)cc2Cl)cc1 72229043 SENZBXZFWDGUCU-UHFFFAOYSA-N 303.793 3.549 0 40 DHAB O=C(Cc1csc(-n2cccc2)n1)Nc1cccc2[nH]ccc12 72402849 GEAIKDMDKNXSIM-UHFFFAOYSA-N 322.393 3.596 0 40 DHAB CCO[C@H]1C[C@@H](NC(=O)c2cccc3cnccc23)C12CCCC2 73139484 SLCHBBXMDSZWQL-MSOLQXFVSA-N 324.424 3.702 0 40 DHAB Cc1c(F)cccc1NC(=O)Cn1c(C2CC2)nc2ccccc21 73392384 AKADYDRBDCMUJQ-UHFFFAOYSA-N 323.371 4.000 0 40 DHAB CN(C)C(=O)Sc1ccc(Cn2cnc3ccccc32)cc1 79054730 NKVVOKYZHDUKKK-UHFFFAOYSA-N 311.410 3.858 0 40 DHAB Cc1cnc(C(C)(C)NC(=O)Nc2ccc3c(c2)CCC3)s1 79776831 ZZKMFGSMPRASPU-UHFFFAOYSA-N 315.442 3.997 0 40 DHAB Cc1c(NCc2nnsc2Cl)cccc1OC(F)F 89104492 UPZTYLCZXQBIIG-UHFFFAOYSA-N 305.737 3.713 0 40 DHAB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NNc1ccc(C)cc1 95471501 YJPUANOKCZLSNX-PDGQHHTCSA-N 320.396 3.527 0 40 DHAB C[C@H](NC(=O)Nc1cccnc1)c1ncc(-c2ccccc2)o1 96417594 APXKSNVKUGZQIM-LBPRGKRZSA-N 308.341 3.619 0 40 DHAB CC1(C)CCN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)C1 96433981 LVUXGFQIVYZSLN-INIZCTEOSA-N 318.417 3.508 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)N(C2CC2)[C@@H](C)C(C)C)c1 97103645 QORJPCQVKSOJLU-NSHDSACASA-N 321.396 3.825 0 40 DHAB C[C@@H](NCc1cnc2ccccn12)c1ncc(-c2ccccc2)o1 97374529 DVFQZTFHUFLDHV-CQSZACIVSA-N 318.380 3.840 0 40 DHAB COc1ccccc1[C@H]1C=C(c2ccc(C)cc2)N=C2N=NNN21 100622472 DXHCLZFIJIFBNJ-MRXNPFEDSA-N 319.368 3.643 0 40 DHAB C[C@@H]1C2=C([C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]13)[C@H]1C=C[C@H]2C1 104295437 NLYVLLZNYMZTKX-VUIHHYGYSA-N 319.404 3.581 0 40 DHAB Cc1ccc(C(C)(C)CN(C)C(=O)Nc2cc(C)on2)cc1 174275731 QJOHZVBZELQGRN-UHFFFAOYSA-N 301.390 3.733 0 40 DHAB Cc1cccc2nc(C3CCN(C(=O)c4ccoc4)CC3)oc12 188487934 RGJQXQNSZLCYPR-UHFFFAOYSA-N 310.353 3.749 0 40 DHAB C[C@H](c1cccs1)[S@](=O)Cc1ccc(-n2cccn2)cc1 195562680 BONRQSPPWFREOJ-LRTDBIEQSA-N 316.451 3.944 0 40 DHAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)[nH]1 222588109 KPWJNUCQURHGGQ-UVBJJODRSA-N 312.442 3.616 0 40 DHAB COc1cccc(N(C)C(=O)c2cccc(C(F)(F)F)c2)c1 222964571 VPVORDSJJWFHPB-UHFFFAOYSA-N 309.287 3.991 0 40 DHAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCC 223606016 VCGHGQHMDVBUTJ-KRWDZBQOSA-N 318.461 3.510 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccccc1F 225581340 SNAYEQBCNPZXHV-AWEZNQCLSA-N 323.481 3.767 0 40 DHAB C[C@H]1CCCCN1CCC1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1 245339139 QTXNORNKKJSXIR-GDAAHCPNSA-N 318.505 3.536 0 40 DHAB CCOc1ccc(-c2ccc(OC(=O)c3ccccc3)nn2)cc1 408531709 WYHCGTUEQPCEKP-UHFFFAOYSA-N 320.348 3.762 0 40 DHAB Cc1ccc(OCCNC(=O)c2cncc3ccccc23)c(C)c1 521383263 XSFWOQQJLPIOSR-UHFFFAOYSA-N 320.392 3.660 0 40 DHAB CCN(Cc1nc(C(=O)O)co1)[C@@H](C)c1cc2ccccc2o1 569370496 CULXUTBLTVJOGE-NSHDSACASA-N 314.341 3.702 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1ccc(Cl)cc1C(F)(F)F 575360839 JKYUKFLOOIVLAJ-UHFFFAOYSA-N 308.683 3.883 0 40 DHAB C[S@@](=O)(=NC(=O)C(Cl)=C(Cl)Cl)c1ccccc1 161185 RETGPYAECCZLSQ-KRWDZBQOSA-N 312.605 3.555 0 40 DHAB Cc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1ccco1 570291 GRNUEBVYTSMQQV-UHFFFAOYSA-N 300.358 3.825 0 40 DHAB Sc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4 1246626 SDAMRZBKXSLWTL-UHFFFAOYSA-N 324.434 3.783 0 40 DHAB CCn1c(=S)[nH]c2c(c1=O)[C@](C)(CC)Cc1ccccc1-2 1261847 UCYZWXGTKPVCPE-QGZVFWFLSA-N 300.427 3.817 0 40 DHAB COc1cccc(-c2c(C(=O)O)cc(O)c3ccc(OC)cc23)c1 1672457 FXEUFXCGLMYGES-UHFFFAOYSA-N 324.332 3.928 0 40 DHAB Cc1nc2ccc(NC(=O)Cc3cccc(F)c3)cc2s1 2623235 XJZYODFQJNDYKU-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccn1 3239740 WDMMKUCIHVPQRN-LJQANCHMSA-N 317.344 3.863 0 40 DHAB O=C(COc1cccc2ccccc12)NCc1ccc(F)cc1 3386268 DAKCOJBOHSMOFK-UHFFFAOYSA-N 309.340 3.674 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cccc(F)c1 4330433 KNTAJAXUCCIXCP-UHFFFAOYSA-N 323.736 3.843 0 40 DHAB CCCCOc1ccc(CN2C(=O)C(=O)c3cccc(C)c32)cc1 5152245 HAXAQSDBUBQVDI-UHFFFAOYSA-N 323.392 3.903 0 40 DHAB CC(=O)CC(C)(C)NC(=S)Nc1cccc2ccccc12 5420980 XCCMHNCFIKSYPF-UHFFFAOYSA-N 300.427 3.884 0 40 DHAB O=C(COc1cccc(Cl)c1)N1CCCc2ccccc21 5604758 UYGGQFLVXGSFIV-UHFFFAOYSA-N 301.773 3.698 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc2ccccc2c1 6008042 NXCMPCZBKQUWRK-JTDSTZFVSA-N 313.441 3.842 0 40 DHAB CC[C@H](OC[C@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1 6355959 QPXDBTYBCYZQBM-DBVUQKKJSA-N 313.441 3.866 0 40 DHAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 7052952 FSOBYWPRJSBISC-UHFFFAOYSA-N 301.411 3.675 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 7608281 GOJZDXOANFXJRR-KMYSJOAASA-N 313.441 3.847 0 40 DHAB CCOCc1cc(C(=O)Nc2cccc(F)c2)ccc1OC 7944901 VZGSEGHGRPOMFH-UHFFFAOYSA-N 303.333 3.623 0 40 DHAB Cn1ccnc1[C@@H](OC(=O)c1ccc(Cl)cc1)C(F)(F)F 8425272 AMDANUNGFHZVBO-SNVBAGLBSA-N 318.682 3.534 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1CCCC[C@@H]1CC 8731540 IPQBYUCPQQDSAF-KRWDZBQOSA-N 319.445 3.931 0 40 DHAB O=C(NOCc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCC3 9855179 LMFNTZPNQNDQNT-UHFFFAOYSA-N 320.392 3.908 0 40 DHAB C[C@]12C[C@H](NC(=S)N1CCc1ccccc1)c1ccccc1O2 12415483 IQDZSSFZPRHATQ-LPHOPBHVSA-N 324.449 3.659 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1C 12435812 JSACGZYQEHSCFP-UHFFFAOYSA-N 308.381 3.904 0 40 DHAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccn1 12609241 VLZJZBNPURWAHG-LLVKDONJSA-N 308.303 3.520 0 40 DHAB CC[C@H](C)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 12975637 CHJAFUZNJJHIMP-RYUDHWBXSA-N 303.381 3.543 0 40 DHAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C 13947260 HROXODNGSMXDSG-ZDUSSCGKSA-N 315.866 3.910 0 40 DHAB COc1cc(-c2cc(C(=O)O)c3cc(C)ccc3n2)ccc1O 20407659 QPKYKEUYOKGMLZ-UHFFFAOYSA-N 309.321 3.623 0 40 DHAB CC(C)CC[C@]1(CCNCCN(C)C)CCO[C@@H](C(C)C)C1 20649284 SDZRWKJHFVQPCS-MOPGFXCFSA-N 312.542 3.785 0 40 DHAB Cc1ccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)cc1 21885673 OFZNDEPRAUJVQB-UHFFFAOYSA-N 322.330 3.742 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1C 27395420 BPKWECSLPVKOKF-UHFFFAOYSA-N 310.397 3.696 0 40 DHAB COCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 27872595 YBLDFFJOBIYORD-ZIAGYGMSSA-N 315.335 3.684 0 40 DHAB CCn1nc(C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 28240141 VBULQZZMSVVPAE-GFCCVEGCSA-N 321.808 3.579 0 40 DHAB O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1Cc2ccccc2O1 29071013 WOJRIJXJZWKTLH-IBGZPJMESA-N 323.392 3.950 0 40 DHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(Cl)c[nH]1 30135551 IZKMUDHECOQDGV-UHFFFAOYSA-N 306.837 3.957 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@H](C)c1cccs1 32475895 ZWGMNHRSFJNKKP-OLZOCXBDSA-N 315.438 3.882 0 40 DHAB Cc1cc(N[C@H](C)c2cccc(C(F)(F)F)c2)n2ncnc2n1 32533991 RUGGHDAMVBKTEP-SNVBAGLBSA-N 321.306 3.625 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)s1 32825804 DABQBWLSIMBCKK-MRVPVSSYSA-N 319.810 3.580 0 40 DHAB CCOC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 35382903 MKXADULNRHMGRQ-UHFFFAOYSA-N 320.801 3.822 0 40 DHAB CC(C)(C)OC(=O)N1CCC(NCc2ccc(Cl)cc2)CC1 35957319 UPXSIMRVLUQSTF-UHFFFAOYSA-N 324.852 3.829 0 40 DHAB CN(C)C(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127663 OATQONZPXDEACX-UHFFFAOYSA-N 314.772 3.779 0 40 DHAB CC(=O)Oc1cccc(C(=O)c2cccc(Br)c2)c1 43209855 NPGZTFBHMQRDEB-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB Cc1ccccc1C(=O)Nc1c(C)cc(NC(N)=S)cc1C 45890860 BZLLCYROOQKSAL-UHFFFAOYSA-N 313.426 3.520 0 40 DHAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cc(F)cc(F)c1 48806946 JSJQAGGOTOTNFL-UHFFFAOYSA-N 311.671 3.569 0 40 DHAB Cc1nc(CSc2ncc(C(F)(F)F)cc2Cl)no1 49130067 AHDQFYGBUVCDGA-UHFFFAOYSA-N 309.700 3.738 0 40 DHAB COc1ccccc1[C@@H](C)N(C)Cc1ncc(C)c(OC)c1C 58167904 GZKHRPICTPUEMW-OAHLLOKOSA-N 314.429 3.909 0 40 DHAB Cc1nc(NC(=O)Nc2ccc(N3CCCCC3)cc2)oc1C 65770590 VBJAODFRDXEDAM-UHFFFAOYSA-N 314.389 3.926 0 40 DHAB CC(C)(C)OC(=O)N1CCC(NCc2cccc(Cl)c2)CC1 67800574 GTLJAXJIVAQLFI-UHFFFAOYSA-N 324.852 3.829 0 40 DHAB CC(C)(C)[C@@H]1CCCN(C(=O)c2cnc(N)c(Cl)c2)CC1 71202768 XVPWNLXOYREAGB-GFCCVEGCSA-N 309.841 3.606 0 40 DHAB CCCCN(C(=O)c1cccc[n+]1[O-])[C@@H](CC)c1ccccc1 71908143 QVNPNAHJIXPYGZ-KRWDZBQOSA-N 312.413 3.714 0 40 DHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2)cc1 72329197 REFQDEPYEBIXET-UHFFFAOYSA-N 319.408 3.878 0 40 DHAB CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(C)=O)cc1 72408156 JGPZPIXYFBDALJ-FQEVSTJZSA-N 322.408 3.955 0 40 DHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2cccnc2)o1 76066711 CSLKGPJJXZNXAN-CZUORRHYSA-N 313.401 3.666 0 40 DHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CSc1ccccn1 79440873 QZWKWQBIXLBEJQ-CYBMUJFWSA-N 308.447 3.963 0 40 DHAB COc1ccccc1NC(=S)N[C@H]1C[C@@H]1c1cccc(F)c1 83982603 GXDBNFJWXGSQNJ-HIFRSBDPSA-N 316.401 3.677 0 40 DHAB Cc1ccc(C)c(OCCCCC(=O)Nc2ccncc2O)c1 95394598 MEQBJOVSJLGGMU-UHFFFAOYSA-N 314.385 3.592 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2ncc[nH]2)cc1Cl 95467284 BQUAOTDPYBRPEE-CYBMUJFWSA-N 304.781 3.741 0 40 DHAB COC1(CNC(=O)Nc2ccccc2)C2CC3CC(C2)CC1C3 96123929 ZDMVQHOVDWBRQD-UHFFFAOYSA-N 314.429 3.649 0 40 DHAB O=c1c2ccccc2nc(S)n1-c1cccc(Cl)c1Cl 101759165 TWSVEOMDUSNWNT-UHFFFAOYSA-N 323.204 3.981 0 40 DHAB COc1cccc(N2CC(O)=C(c3nc(C)c(C)s3)C2=N)c1 102729045 PASAATFBBJSKJN-UHFFFAOYSA-N 315.398 3.535 0 40 DHAB CO[C@H](CNC(=O)c1ccccc1C)c1ccccc1Cl 121970548 WOJQKXDPAKNVRI-MRXNPFEDSA-N 303.789 3.766 0 40 DHAB O=C1CCN(C(=O)c2ccoc2C2CC2)[C@H](c2ccccc2)C1 585086104 RNMYQUSAKYJGBE-KRWDZBQOSA-N 309.365 3.703 0 40 DHAB OC1(COc2cccc(Cl)c2)CCN(C2CCCCC2)CC1 585281223 HGBQOZGFTNNBDN-UHFFFAOYSA-N 323.864 3.878 0 40 DHAB CCc1nccn1CC1CN(Cc2ccc(Cl)cc2Cl)C1 2087139266 UDZCOAUQELFGBZ-UHFFFAOYSA-N 324.255 3.884 0 40 DHAB CC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1C 150291 KVGUDOGIZMKERE-UHFFFAOYSA-N 300.339 3.653 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1cncc(Br)c1 255987 FXRIRBFSSZDRFQ-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB Nn1c(SCc2c(F)cccc2F)nnc1C1CCCCC1 530704 JTBMARBPQHVRNJ-UHFFFAOYSA-N 324.400 3.610 0 40 DHAB COc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1O 818029 PYXUHOPNZPCGAW-IBGZPJMESA-N 321.380 3.854 0 40 DHAB Cc1cc(OCC(=O)NCc2ccccc2Cl)ccc1Cl 3443796 AYTWIQVJVFTFQN-UHFFFAOYSA-N 324.207 3.997 0 40 DHAB COc1cc2c(cc1O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@@H]21 3870819 CQOQDQWUFQDJMK-JAJCWUMOSA-N 302.414 3.618 0 40 DHAB CCCCCC[C@@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 4690652 AMIUZDPAMTUBNW-CFRMROPGSA-N 303.402 3.904 0 40 DHAB O=C1S/C(=C\c2ccccc2F)C(=O)N1c1cccc(O)c1 5376199 NLSIDWQLYMJJDH-ZSOIEALJSA-N 315.325 3.772 0 40 DHAB Cc1cnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1 5936906 QCKUKYXFNXIUNU-UHFFFAOYSA-N 300.305 3.652 0 40 DHAB Clc1ccc(C2=NN=C(NCc3ccccc3)SC2)cc1 5938840 CJGBRXOTEVOKSG-UHFFFAOYSA-N 315.829 3.937 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 7447566 NLINSJUUZKEQER-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB Cn1cc(C(=O)Cn2cc(C=O)c3ccccc32)c2ccccc21 8993257 XFGLDNZMSRORQH-UHFFFAOYSA-N 316.360 3.828 0 40 DHAB C[C@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)ccc2O1 9029089 JZEILLBUEHNYLE-XBUHWIKASA-N 322.339 3.695 0 40 DHAB Cc1c(Cl)cccc1NC(=O)CCc1ccc2c(c1)OCO2 10406741 OHQKRARFJIDKCQ-UHFFFAOYSA-N 317.772 3.948 0 40 DHAB CCCCNC(=O)CSc1nc(C2CC2)nc2ccccc12 10940585 FISRTPVBVQNLAG-UHFFFAOYSA-N 315.442 3.516 0 40 DHAB Cc1ccc2oc(=O)c(-c3nc(-c4ccc(F)cc4)no3)cc2c1 12879943 IXXOQKIEXFUPPQ-UHFFFAOYSA-N 322.295 3.958 0 40 DHAB CC1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1 12982402 YINLRJKRQQCWRM-UHFFFAOYSA-N 315.335 3.779 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(OC)cc2OC)cc1 13790239 HZFCTMZSKIDZPA-UHFFFAOYSA-N 318.398 3.521 0 40 DHAB CCSc1ccccc1NS(=O)(=O)c1ccc(C)cc1 20050940 VDAUHBHWBVXWIK-UHFFFAOYSA-N 307.440 3.908 0 40 DHAB Cc1cc(NC(N)=S)cc(-c2nc3ccccc3s2)c1O 20154657 FDIMNGGZWRZWOT-UHFFFAOYSA-N 315.423 3.633 0 40 DHAB Nc1nc(-c2ccc(-c3ccc(C(=O)O)cc3)s2)cs1 27913776 ZYNIVZIUTSIADC-UHFFFAOYSA-N 302.380 3.819 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 36661291 XZRYDMSCDVGIAZ-JJRVBVJISA-N 305.418 3.546 0 40 DHAB c1ccc(COC2CCN(CCOc3ccccc3)CC2)cc1 40018032 SUXVQUJCZPHGFY-UHFFFAOYSA-N 311.425 3.747 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C)c1 44253156 OKQMOUHIXBMPNT-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB CCCN(Cc1ccsc1)C(=O)[C@H](C)Oc1ccccc1 44447132 JJWPYELCMFWICP-AWEZNQCLSA-N 303.427 3.954 0 40 DHAB COC(=O)Cc1cccc(-c2nc3ccc(F)cc3s2)c1 45923199 MZPINIJDJURWSP-UHFFFAOYSA-N 301.342 3.818 0 40 DHAB CCCCCNC(=O)C1CCN([C@H](C)c2ccc(F)cc2)CC1 45944983 MLVFUTYDYKNMRA-OAHLLOKOSA-N 320.452 3.905 0 40 DHAB O=C(Nc1cccc2ccc(-n3cccc3)nc12)c1ccco1 49028005 DNAIJWNUSLLIHO-UHFFFAOYSA-N 303.321 3.871 0 40 DHAB Cc1csc(CNC(=O)CCCOc2ccccc2Cl)n1 50558753 GRMNLSVVJIMPDQ-UHFFFAOYSA-N 324.833 3.580 0 40 DHAB COc1ccccc1CN(Cc1cn2cc(C)ccc2n1)C1CC1 52183580 DGKIUWTVXQHJDW-UHFFFAOYSA-N 321.424 3.816 0 40 DHAB CC[C@@H](C)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 56365856 XLFNMFFCRXRQMO-CYBMUJFWSA-N 309.837 3.551 0 40 DHAB CC(C)N(C(=O)c1cnc2c(cnn2C(C)C)c1)C1CCCC1 57749395 YHBVFTUYWSVXOS-UHFFFAOYSA-N 314.433 3.805 0 40 DHAB O=C(Nc1cccc(N2CCCCC2)c1)OCC(F)(F)F 58155034 JRLPBPJXMUEZIZ-UHFFFAOYSA-N 302.296 3.788 0 40 DHAB COc1cc(NCCOc2ccc(C)cc2)cc(OC)c1OC 58183439 YXJGHPJJMPGXKE-UHFFFAOYSA-N 317.385 3.512 0 40 DHAB CCc1n[nH]c(SCc2nc(-c3ccccc3)oc2C)n1 58378081 PWEGABDAUSUSNG-UHFFFAOYSA-N 300.387 3.623 0 40 DHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1cccnc1 59477533 NWZUJVQBWCWLEX-PKNBQFBNSA-N 304.349 3.671 0 40 DHAB CC(C)(C)OC(=O)NC1(c2ccccc2Br)CC1 67802725 IWMUKBASLQJYSR-UHFFFAOYSA-N 312.207 3.963 0 40 DHAB C[C@@H](NC(=O)/C=C/c1ccco1)c1nc(-c2ccccc2)c[nH]1 68934867 ZEAKOOYIVFJHIT-WTNCMQEWSA-N 307.353 3.560 0 40 DHAB O=C(N[C@@H]1CCc2ccccc2C1)c1c(F)cccc1Cl 69321120 UHWDESKEKWWKMA-CYBMUJFWSA-N 303.764 3.766 0 40 DHAB Cn1cnc2cc(OC(=O)c3cccc4ccccc34)ccc21 70640917 PQSQBLZXQRTMFB-UHFFFAOYSA-N 302.333 3.946 0 40 DHAB CCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 70978571 XNGVBLNVCRQEEM-QGZVFWFLSA-N 303.427 3.733 0 40 DHAB CCN(CC)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 72271367 YLCBLQPPGCRYSO-LBPRGKRZSA-N 303.431 3.923 0 40 DHAB C[C@H](NC(=O)c1cscn1)c1ccc(-c2ccncc2)cc1 74295978 VTPAJZFBXMCFGR-LBPRGKRZSA-N 309.394 3.696 0 40 DHAB O=C(CC[C@@H]1CCCO1)N1CC[C@H](CSc2ccccc2)C1 81287148 NVOURHKYUIVOLI-HOTGVXAUSA-N 319.470 3.586 0 40 DHAB O=c1cc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)occ1O 84594640 SWIUCNMUCCWIJS-QGZVFWFLSA-N 324.380 3.554 0 40 DHAB O=C(NC[C@H](O)c1ccoc1)c1ccccc1Oc1ccccc1 85471634 YVQWBTRFOMBQTO-KRWDZBQOSA-N 323.348 3.535 0 40 DHAB Cc1nccn1-c1ccc([C@H](C)Nc2nc(C3CC3)no2)cc1 89735861 GOIHQCKSGKAITE-NSHDSACASA-N 309.373 3.614 0 40 DHAB CN(CCCc1ccc(C(F)(F)F)cc1)Cc1nccn1C 89761430 DQZBGRCFEQAAND-UHFFFAOYSA-N 311.351 3.504 0 40 DHAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)/C=C/c1cccc(Cl)c1 89895046 FJFNDICVMPSSKF-RMRLKUHTSA-N 319.788 3.575 0 40 DHAB CC1(C)Cc2cccc(Oc3ncncc3Br)c2O1 90782736 BTOQIZLRRQBWSS-UHFFFAOYSA-N 321.174 3.745 0 40 DHAB Cc1nc(C(=O)Nc2nccs2)c(Cc2ccccc2)s1 95480611 ZSGJORXKRHHZMH-UHFFFAOYSA-N 315.423 3.751 0 40 DHAB Cc1ccc2oc(C(=O)N(C)c3nc4ccccc4n3C)cc2c1 95943036 GNRKTEPXIPRASY-UHFFFAOYSA-N 319.364 3.905 0 40 DHAB CC[C@H](NC(=O)c1ccc(OC)c(C)c1)c1ccc(OC)cc1 149119146 UQVOHSLSCUUZBC-KRWDZBQOSA-N 313.397 3.893 0 40 DHAB Cc1scc(C(=O)N(CC(F)(F)F)c2ccccn2)c1C 181487729 VTGPFSCMFBXTMT-UHFFFAOYSA-N 314.332 3.969 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSC1CCCC1 223752559 CGUVWUIMPUPMBG-QGZVFWFLSA-N 321.486 3.944 0 40 DHAB CCCC[C@H](C)OC(=O)c1snnc1-c1ccc(OC)cc1 223836645 MUHKIVFKHSHVES-NSHDSACASA-N 320.414 3.949 0 40 DHAB COCc1cc(C(=O)Nc2ccccc2SC)ccc1OC 224402045 ZIYJTMNRPZDQGK-UHFFFAOYSA-N 317.410 3.816 0 40 DHAB Cc1ccc2[nH]c(-c3ccc(C(=O)N4CCCC4)cc3)nc2c1 225263220 JAJDJKWYXZQVNM-UHFFFAOYSA-N 305.381 3.774 0 40 DHAB CCc1ccccc1Nc1ccc(N)cc1C(=O)N1CCCC1 225466581 FCVHSUYXBAEQNE-UHFFFAOYSA-N 309.413 3.811 0 40 DHAB CCC(C)(C)NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225644728 LGYIQGLVCKNLEG-UHFFFAOYSA-N 314.838 3.602 0 40 DHAB CC1CCN(C(=O)c2cc(N)ccc2N(C(C)C)C(C)C)CC1 226323551 DELWPWDQOMKSMK-UHFFFAOYSA-N 317.477 3.764 0 40 DHAB COC(=O)c1cc(C)c(OC(=O)c2cccc(Cl)c2)c(C)c1 256053187 QKMCDBWCGSYZCU-UHFFFAOYSA-N 318.756 3.963 0 40 DHAB CCCOc1ccc(C(=S)NCc2cccc(OC)c2)cc1 408578588 ZBDHPUFSPDZMLA-UHFFFAOYSA-N 315.438 3.949 0 40 DHAB Cc1cc(OCC2(O)CCN(C3CCC3)CC2)cc(C)c1Cl 585281933 UQBWZBSRWOVIKY-UHFFFAOYSA-N 323.864 3.715 0 40 DHAB Cc1ccc(S[C@@H](CC(=O)c2ccc(F)cc2)C(=O)O)cc1 43121 ZDELAXGOJWRTKD-INIZCTEOSA-N 318.369 3.952 0 40 DHAB COc1ccc(NCC(=O)Nc2ccc(Cl)cc2C)cc1 132503 KFDZCZDBPPHEPG-UHFFFAOYSA-N 304.777 3.708 0 40 DHAB CCOC(=O)c1sc(=S)n(-c2ccc(OC)cc2)c1C 180309 RUJUULTZARKLRB-UHFFFAOYSA-N 309.412 3.762 0 40 DHAB CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1 364503 PGEVKJAAEXCDOF-UHFFFAOYSA-N 318.423 3.938 0 40 DHAB O=C(Nc1ccc(Cc2nc3ccccc3[nH]2)cc1)c1ccco1 804279 SSKMRSWXQNRMFT-UHFFFAOYSA-N 317.348 3.999 0 40 DHAB CCOC(=O)N1N=N[C@@H](C)[C@]1(c1ccccc1)N1CCCCC1 1720311 UUYWXVKCDSRUDH-YOEHRIQHSA-N 316.405 3.553 0 40 DHAB CCCCc1ccc(NC(=O)CSc2cc(C)ncn2)cc1 2611541 MXSUCEATGHNFMF-UHFFFAOYSA-N 315.442 3.858 0 40 DHAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1 2713193 ZIZHXTQYPVXKDG-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB O=C1c2ccccc2C(=O)N1Cc1csc(-c2ccccc2)n1 3330300 UWKFUZQJQBBTIC-UHFFFAOYSA-N 320.373 3.606 0 40 DHAB CC[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 3443939 WPZXXUOZGVSWAR-KRWDZBQOSA-N 310.397 3.521 0 40 DHAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1 4166962 ZCTSQCRTBXPIIU-UHFFFAOYSA-N 308.406 3.783 0 40 DHAB COc1ccc(OC)c(NC(=O)c2cc3sccc3n2C)c1 4388967 DGXBSDSNXBUMHC-UHFFFAOYSA-N 316.382 3.509 0 40 DHAB C[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 5693989 VWULPBWPHNZFED-SJKOYZFVSA-N 306.361 3.640 0 40 DHAB O=C(CSc1ncn[nH]1)c1ccc(C2CCCCC2)cc1 5736871 CKRWQPPVIYILMY-UHFFFAOYSA-N 301.415 3.827 0 40 DHAB CCCCC(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 5977991 VOOSVWAUGHSLHI-UHFFFAOYSA-N 321.229 3.702 0 40 DHAB O=c1[nH]c(/C(Cl)=C/c2cccc(F)c2)nc2ccccc12 6210688 DLVOBLQTMDCVBT-LCYFTJDESA-N 300.720 3.799 0 40 DHAB CC[C@@H](OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1 6356107 FWILNCFMKJDLDO-UKBAYJJMSA-N 305.462 3.778 0 40 DHAB Cc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)s1 6727383 ZNMGWIUOIBKCTG-CYBMUJFWSA-N 319.455 3.535 0 40 DHAB O=C(N[C@@H]1CCSc2ccccc21)c1n[nH]c2ccccc12 9671526 YHNWJCQWWCMPHH-CYBMUJFWSA-N 309.394 3.530 0 40 DHAB COc1ccc(-c2c(N)sc3ccccc3c2=O)cc1OC 11692166 FPNZLCXLEFRYLF-UHFFFAOYSA-N 313.378 3.528 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)N[C@@H](C)c1ccc(F)cc1 11710315 HMEFLRCMCUNUSM-RYUDHWBXSA-N 304.390 3.579 0 40 DHAB Cc1c(C)n(C[C@H](O)CN2CCCCC2)c2c(Cl)cccc12 12421921 WYTXGWVXLDPQKM-OAHLLOKOSA-N 320.864 3.758 0 40 DHAB COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1 12607955 UZNOIHBITBSIHT-LJQANCHMSA-N 318.376 3.610 0 40 DHAB O=C(/C=C/c1cc2ccccc2o1)Nc1nnc(C2CC2)s1 12621455 GZJSFJYMCZSYIK-BQYQJAHWSA-N 311.366 3.814 0 40 DHAB C[C@H](OC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)cc1 13004218 RIMALHFZXDOGFM-LBPRGKRZSA-N 307.365 3.666 0 40 DHAB CCc1sc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1C 13105363 KWNMNXOSLSNBAQ-LBPRGKRZSA-N 323.458 3.613 0 40 DHAB C/C=C/CC[C@H]1Cc2cc(O)c(CCCC)c(O)c2C(=O)O1 13380371 RNIKQZXKWIZFHL-LQPUYASZSA-N 304.386 3.878 0 40 DHAB biogenic,in-vitro CCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OC 16407882 BRUSVHGHRWIVFP-RVDMUPIBSA-N 309.365 3.977 0 40 DHAB Cc1cccc(Nc2nnc(Cc3ccccc3)c(O)n2)c1C 16806834 QWQKRECVZVUCQF-UHFFFAOYSA-N 306.369 3.528 0 40 DHAB CC(=O)Nc1ccccc1OCCCOc1ccc(F)cc1 17477744 OBLKMXJQCGZSNG-UHFFFAOYSA-N 303.333 3.632 0 40 DHAB CN(C1CCCC1)S(=O)(=O)Cc1c(Cl)cccc1Cl 20112527 GOFUZTHSOVRRFZ-UHFFFAOYSA-N 322.257 3.698 0 40 DHAB CCOc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1OC 22068108 FIDVYOUHRICKRE-UHFFFAOYSA-N 321.760 3.705 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)CCCOc1ccccc1 22367400 CGZHAKHUSSMIJD-OAHLLOKOSA-N 313.397 3.732 0 40 DHAB O=C(Cc1ccccc1)N[C@H]1CCSc2ccc(F)cc21 24756464 SLVAOYXAUHQIDQ-HNNXBMFYSA-N 301.386 3.722 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(-c3ccccc3)n[nH]2)C1(C)C 25162510 NCMVYIVNXTXASO-ZIAGYGMSSA-N 310.401 3.649 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccccc1Cl 27983407 KJRAUBWUCSKKOL-LBPRGKRZSA-N 301.773 3.697 0 40 DHAB CCCOc1ccc(C(=O)Nc2cccc(F)c2)cc1OC 28000729 MUIKXUQZMJNUCO-UHFFFAOYSA-N 303.333 3.875 0 40 DHAB COc1ccccc1Oc1ccc(-c2ccc(C(=O)O)cc2)nn1 32918488 GEKVFBPSUUIWMQ-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB OC[C@@H](CNc1nc2ccccc2s1)Cc1ccc(F)cc1 42103456 KTPOXBBLDIYHNH-CYBMUJFWSA-N 316.401 3.699 0 40 DHAB O=C(C[C@H]1C=CCC1)NCc1cccnc1OCc1ccccc1 48326292 OJXZHHLRFKRWIA-INIZCTEOSA-N 322.408 3.633 0 40 DHAB Cc1nccn1-c1ccc(CNCc2ccccc2Cl)cn1 48782241 XBWBAKOMFZVRBD-UHFFFAOYSA-N 312.804 3.519 0 40 DHAB CC1CCN(c2nc(-c3ccc(NC(N)=O)cc3)cs2)CC1 55050762 MVQKSXGEVIMLKJ-UHFFFAOYSA-N 316.430 3.537 0 40 DHAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C)cc1 58061124 VGJMUWNJMBXZQJ-CJNGLKHVSA-N 305.418 3.507 0 40 DHAB Cc1ccc(NC(=O)Cc2ccccc2O)cc1C(F)(F)F 60349406 ADXHRQJBXFSKRB-UHFFFAOYSA-N 309.287 3.901 0 40 DHAB Cc1c(C(=O)Nc2ccc[nH]c2=O)oc2c1ccc1ccccc12 69350675 XHTMIRSMFFDNLM-UHFFFAOYSA-N 318.332 3.835 0 40 DHAB Cc1cnn(C[C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)c1 70040116 UWYALZPYAUNLIH-QGZVFWFLSA-N 322.412 3.511 0 40 DHAB Cc1cc(F)ccc1NC(=O)N[C@@H](CCCO)c1ccccc1 71921086 JXEOWYDMAPEFDW-KRWDZBQOSA-N 316.376 3.769 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)C[C@H]1OCCc2ccccc21 78813678 PGVLDEHWDCLHAV-XJKSGUPXSA-N 315.438 3.972 0 40 DHAB COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)c1 79112371 LFFVVEORFZPPSB-LJQANCHMSA-N 308.381 3.701 0 40 DHAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)CC1 84544371 SQTPQFKIWLOFIR-DLBZAZTESA-N 319.420 3.593 0 40 DHAB Fc1ccc(NCc2nnsc2Cl)c(OC(F)F)c1 89116875 ANSSCOGPEFMLKC-UHFFFAOYSA-N 309.700 3.544 0 40 DHAB CC(C)N(CCc1nccs1)C(=O)c1scnc1C1CC1 89832751 SKBAOMOCYBEEJO-UHFFFAOYSA-N 321.471 3.570 0 40 DHAB CN1CCN(C/C=C/c2ccc(F)cc2)C2(CCCCC2)C1 93872036 QVTWPJZKSRILMC-AATRIKPKSA-N 302.437 3.789 0 40 DHAB CC(C)c1ocnc1C(=O)NC1(C(F)(F)F)CCCCC1 95960088 AZIKQWFWGNIEGJ-UHFFFAOYSA-N 304.312 3.793 0 40 DHAB O=C(NCCc1nccs1)c1ccc(Oc2ccccc2)o1 95963604 DQCFCUONUPCTDC-UHFFFAOYSA-N 314.366 3.501 0 40 DHAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12 96058419 VXWFTHKDKWPKSE-SFTDATJTSA-N 324.443 3.674 0 40 DHAB Cc1cccc(CN2CCC[C@@]3(CCN(c4ccccc4)C3)C2)n1 96216160 VNIQHNWPWJGHLI-OAQYLSRUSA-N 321.468 3.883 0 40 DHAB CC[C@H](c1ccccc1)c1nnc(NCc2scnc2C)o1 97231704 USGJPIMMWDAYJF-CYBMUJFWSA-N 314.414 3.989 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cn(C)c2ccccc12 100189499 HSFDAADITFXNSR-FOIQADDNSA-N 318.424 3.539 0 40 DHAB COC1=CC(=O)O/C1=C\Nc1ccc(Oc2ccccc2)cc1 100318281 LXXNSJKHBYFGQZ-ATVHPVEESA-N 309.321 3.819 0 40 DHAB Cc1cc(F)c(Br)c(I)c1 169795572 VDZMVKQVYQWVAU-UHFFFAOYSA-N 314.923 3.501 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(COC)c1 175512242 FWZFELBGIBYIGW-SFHVURJKSA-N 313.397 3.938 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)C1 247884855 SLJQCXKWMCDIOX-ZBRFXRBCSA-N 311.510 3.557 0 40 DHAB Cc1ncsc1-c1cc(C(=O)N(C)C2CCCCC2)ccn1 257218587 DDRCRDGOOZTWDP-UHFFFAOYSA-N 315.442 3.918 0 40 DHAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(O)cc1 524735745 WECLTUHLTAPRAY-INIZCTEOSA-N 312.394 3.873 0 40 DHAB c1ccc(-c2cc(CN3CC[C@@H](c4cccnc4)C3)no2)cc1 571080253 QRQILBAEQWONBR-QGZVFWFLSA-N 305.381 3.726 0 40 DHAB COC(=O)CCCC(=O)c1ccc(Br)c(Cl)c1 575362244 PKLJBNLGKYXPOG-UHFFFAOYSA-N 319.582 3.629 0 40 DHAB CC[C@@H]1c2ccccc2CCN1Cc1ncc(CN(C)C)s1 585084322 AETKPYYDBABCQI-QGZVFWFLSA-N 315.486 3.714 0 40 DHAB O=C(Nc1cccc2ccccc12)c1ncnc2c1CCCC2 1889139023 QXMMOAAMFKPLBL-UHFFFAOYSA-N 303.365 3.761 0 40 DHAB Cn1nc(COc2ccc(Br)cc2)c2ccccc21 35272 AMDFROGMMRBTHN-UHFFFAOYSA-N 317.186 3.915 0 40 DHAB CC[C@H](C)NC(=O)c1cc(-c2cccnc2)nc2ccccc12 261135 SUOGZNAGMQJJKZ-ZDUSSCGKSA-N 305.381 3.825 0 40 DHAB O=C(Nc1ccccc1N1CCCCC1)c1cccnc1Cl 520379 FAQIFIOLLBBDGD-UHFFFAOYSA-N 315.804 3.978 0 40 DHAB CCC[C@H](NC(=O)c1ccc(OC)cc1)c1nc2ccccc2[nH]1 536188 JOJKDUCFQGZOHK-KRWDZBQOSA-N 323.396 3.843 0 40 DHAB CCc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 811976 MTKNRLYSLGZIKT-UHFFFAOYSA-N 301.820 3.765 0 40 DHAB Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1 818581 QUIVWIOEHZGROL-UHFFFAOYSA-N 314.366 3.876 0 40 DHAB O=C(O)c1ccccc1C(=O)c1cc(Cl)cc(Cl)c1O 1648153 PNPYWVGAHRIADP-UHFFFAOYSA-N 311.120 3.628 0 40 DHAB CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(Br)cc1-2 1705936 QVCACKRQROAOEK-UHFFFAOYSA-N 316.154 3.619 0 40 DHAB COc1ccc2c(CC(=O)NCC3CCCCC3)coc2c1 3325745 YDOKEZHHGCICTA-UHFFFAOYSA-N 301.386 3.680 0 40 DHAB Cc1ccccc1NC(=O)COc1ccc(Br)cc1 3514827 XDEJTHIIIXBWPW-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB COc1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 3608032 HWBLAJYPKYFNBG-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C 4283605 HBAONALTHRGNPK-XHDPSFHLSA-N 323.820 3.616 0 40 DHAB Cc1c(-c2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 4340204 YVTQXAIHPWBJNO-UHFFFAOYSA-N 323.348 3.829 0 40 DHAB biogenic O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 4592805 WDEUJPRLZBNNNW-VVJJBPBLSA-N 310.180 3.529 0 40 DHAB CC(=O)Nc1cccc(NC(=O)Nc2cn(C)c3ccccc23)c1 5265810 BURPHOXSKWUFQE-UHFFFAOYSA-N 322.368 3.781 0 40 DHAB C[C@@H]1NC(=O)[C@@H](C)[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 5882884 NGMGPYNQJAKUED-ZZCKCESHSA-N 323.396 3.607 0 40 DHAB CCOc1ccc(C2=N/C(=C\c3ccc(C)cc3)C(=O)O2)cc1 8180023 ZKPFNMMVSFLATF-ATVHPVEESA-N 307.349 3.738 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NCCSc1ccccc1 8494828 DUSFAKVGIXHRFR-QGZVFWFLSA-N 315.438 3.753 0 40 DHAB Cc1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)s1 8551030 FUROLMXGLKNPSW-UHFFFAOYSA-N 302.428 3.721 0 40 DHAB Cc1ccc(-n2nc(C(=O)O)nc2-c2cccc(Cl)c2)cc1 8730805 NFSJRKJWOLBQFX-UHFFFAOYSA-N 313.744 3.594 0 40 DHAB Cc1ccc(C)c2sc(NC(=S)NC(=O)C(C)(C)C)nc12 9140750 QZOVUHPLASUXGM-UHFFFAOYSA-N 321.471 3.772 0 40 DHAB Cc1cccc(CSc2nc3ccsc3c(=O)n2C)c1 9450929 OVKXALTVTYYLBX-UHFFFAOYSA-N 302.424 3.596 0 40 DHAB CC(C)(C)[C@H]1CCc2sc(C(=O)NC3=NCCS3)cc2C1 9740334 YYSDBGRFHPPEHJ-NSHDSACASA-N 322.499 3.732 0 40 DHAB CCS(=O)(=O)Nc1cc2c3c(oc2cc1C)CC[C@@H](C)C3 11635044 MKSSUWNNBJTIIW-SNVBAGLBSA-N 307.415 3.628 0 40 DHAB Cc1ccc(-c2cc(COC(=O)Cc3cccs3)no2)cc1 12236676 SPFXLQOUDKIQFL-UHFFFAOYSA-N 313.378 3.997 0 40 DHAB Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 12525246 ITHAUMBMSXXONL-INIZCTEOSA-N 319.408 3.980 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)c1ccc(C(F)(F)F)cc1 13004357 CUVGGYSEAHKVNF-XSFVSMFZSA-N 308.303 3.505 0 40 DHAB CCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 14114017 KRCPGJQAIASULU-UHFFFAOYSA-N 322.408 3.912 0 40 DHAB CCc1nc2ccccc2n1C[C@@H](O)COc1cccc(C)c1C 15860730 BINQCUMCRPUQFK-MRXNPFEDSA-N 324.424 3.655 0 40 DHAB CC(C)(C)c1nnc(Nc2cc(Cl)ccc2Cl)[nH]c1=O 16776955 ZPZZUHHTZCIXLJ-UHFFFAOYSA-N 313.188 3.513 0 40 DHAB Cc1ccc(C2(CNC(=O)c3cccs3)CCOCC2)cc1 16970622 HUCDPGMNTUNJLJ-UHFFFAOYSA-N 315.438 3.535 0 40 DHAB COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1OC 18029491 ZHEQSYXTASMWQO-UHFFFAOYSA-N 322.364 3.747 0 40 DHAB CCN(CCNC(=O)Nc1ccc(C)cc1)c1cccc(C)c1 18178988 DGDFRWVGXRYVCC-UHFFFAOYSA-N 311.429 3.951 0 40 DHAB O=C(OCc1csc(-c2cccs2)n1)c1cccc(O)c1 18768980 UOKRTFZRFJHSQP-UHFFFAOYSA-N 317.391 3.934 0 40 DHAB O=C(C1[C@H]2CCCC[C@@H]12)N1CCC(Oc2ccc(F)cc2)CC1 19335674 MRKYFDAAAOKBTB-JWTNVVGKSA-N 317.404 3.632 0 40 DHAB O=C(Nc1cccc(Br)c1)c1cc(F)ccc1F 19519582 OUIXACWYSORMEO-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CC(C)COc1cccc([C@H]2SCC(O)=Nc3n[nH]cc32)c1 20736049 LMQRIIVYQFIIOD-OAHLLOKOSA-N 317.414 3.869 0 40 DHAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1 27915851 OCHGZSSXASSKEB-KDOFPFPSSA-N 311.381 3.776 0 40 DHAB CCOc1ccc(OCC)c(NC(=O)OCC(F)(F)F)c1 32628854 HAPNXIULMXGNLH-UHFFFAOYSA-N 307.268 3.595 0 40 DHAB in-vitro C[C@@H]1CN(Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 32757836 LQLJNYDIYOLDIV-VXGBXAGGSA-N 306.793 3.604 0 40 DHAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 33313878 IQMJAMDNQUEOBY-CQSZACIVSA-N 301.365 3.621 0 40 DHAB c1ccc(-c2nnc(CSc3nncc4ccccc34)o2)cc1 44156670 AHPYWUQVXTWDOD-UHFFFAOYSA-N 320.377 3.972 0 40 DHAB CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(OC)c1 44200735 ZZTMTHFPTYPSQS-UHFFFAOYSA-N 304.317 3.590 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCSC2CCCC2)cc1 46450682 XUCKVQFJTGIKDL-CQSZACIVSA-N 307.459 3.554 0 40 DHAB Cc1cc(C)c2c(C)c(C(=O)NCC(F)(F)F)sc2n1 48302274 LXXWBSQYGMZVLH-UHFFFAOYSA-N 302.321 3.514 0 40 DHAB O=C(CCc1ccc(Cl)s1)Nc1ccc2cn[nH]c2c1 51256239 WCHKZBKLFXPJRF-UHFFFAOYSA-N 305.790 3.849 0 40 DHAB CCCCNC(=O)[C@@H](C)N(C)Cc1csc2ccccc12 52806124 RGRMVRDKVUJZKI-CYBMUJFWSA-N 304.459 3.638 0 40 DHAB CC[C@H](Sc1ccccc1OC)C(=O)Nc1cc(C)on1 58249545 HHJYTNUGKJEEEE-LBPRGKRZSA-N 306.387 3.501 0 40 DHAB CN(C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C1CCCC1 58309233 DNGNRAIBTLLMFO-UHFFFAOYSA-N 301.415 3.549 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(-c3nc(C)no3)cc2)cc1 64580038 JDVMIPNSEMOGIU-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB Cc1ccc(OCc2nnc(SC[C@@H]3CCCCO3)o2)cc1 65521165 KSGKOPKQHWDWLC-AWEZNQCLSA-N 320.414 3.618 0 40 DHAB O=C(C=C1CCCCC1)NCc1cccnc1N1CCCCC1 68911809 LMEGGJSZVZKQQT-UHFFFAOYSA-N 313.445 3.579 0 40 DHAB CC[C@H](C)Sc1ccc(NC(=O)N2CCC[C@@H](O)C2)c(C)c1 69536115 HZAUUKCMCMROQA-UONOGXRCSA-N 322.474 3.874 0 40 DHAB O=C(N[C@H]1CCC[C@@H]1n1ccnc1)c1ccc2ccccc2c1 71843152 HZMOIRFFGTTYLX-ROUUACIJSA-N 305.381 3.560 0 40 DHAB Cn1ccc2cc(C(=O)Nc3ccc4c(c3)OCCCO4)ccc21 72401804 FNPDINBOSZLTLZ-UHFFFAOYSA-N 322.364 3.592 0 40 DHAB O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[C@@H](CCO)C1 76023368 VSFWMRUTTAMYCG-HNNXBMFYSA-N 310.397 3.590 0 40 DHAB Cc1ncsc1CNCc1cc(Cl)cc2cccnc12 89565553 JKABOSUZTWQRMW-UHFFFAOYSA-N 303.818 3.943 0 40 DHAB Cc1noc([C@@H](NCc2ncc(-c3ccccc3)o2)C(C)C)n1 95987495 BCNYTBPNWYNKDO-INIZCTEOSA-N 312.373 3.520 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N(CC(F)(F)F)C2CC2)s1 97000595 AHJDOGWTVSKZJZ-MNOVXSKESA-N 303.349 3.713 0 40 DHAB Cc1ccc(OCCCO[C@H]2CCCc3c[nH]nc32)cc1C 97104249 XFYQVTFCHHXBQU-KRWDZBQOSA-N 300.402 3.890 0 40 DHAB CCn1/c(=N/C(=O)c2ccccc2)sc2cc(F)cc(F)c21 100909152 HIBQSZNVQFBWHA-MNDPQUGUSA-N 318.348 3.742 0 40 DHAB CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C)ccc1C 101405895 QFBYVEDMPNEUNS-XHBSWPGZSA-N 302.418 3.508 0 40 DHAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 195464835 OFOBTUQSDUZIBP-CQSZACIVSA-N 322.880 3.713 0 40 DHAB O=C(CCOCC(F)F)N1C[C@H]2CCCC[C@@]21c1ccccc1 195579847 IOJBGTLEQDPSNI-CRAIPNDOSA-N 323.383 3.586 0 40 DHAB COc1cc(Cl)c2[nH]c(-c3ccc(OC)c(OC)c3)nc2c1 216916733 UAERJGPQPMMKTN-UHFFFAOYSA-N 318.760 3.909 0 40 DHAB S=C(Nc1ccc(N2CCCc3ccccc32)nc1)NC1CC1 224031816 ZXKLVZWHMHEDGO-UHFFFAOYSA-N 324.453 3.615 0 40 DHAB CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c(C)n1 225901648 SLARNAGWWWNYPM-UHFFFAOYSA-N 320.433 3.713 0 40 DHAB CNc1cccc(CC[C@H]2CCCCN2Cc2ccccn2)n1 257227698 FQMQOAPBKDLIHM-GOSISDBHSA-N 310.445 3.506 0 40 DHAB CCN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O 408605214 XOOKLDVGNBUEIY-NTEUORMPSA-N 305.399 3.778 0 40 DHAB CCCSC1=NC(C)=C(C(=O)OCC)[C@H](c2ccccc2)N1 408989142 KEAZINKXFYFZKK-HNNXBMFYSA-N 318.442 3.667 0 40 DHAB Cc1nn(C(C)C)cc1CN1CCCN(C)c2ccc(F)cc21 568330077 SYMDBPZPQWMTHV-UHFFFAOYSA-N 316.424 3.758 0 40 DHAB FC(F)C1(c2nc(-c3ccc4nccnc4c3)no2)CCCC1 568562003 NNRHPODIFUVIEP-UHFFFAOYSA-N 316.311 3.757 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)o1 1775996077 TUOCYINHVIVYRA-PHIMTYICSA-N 310.191 3.755 0 40 DHAB O=C(Cc1ccc(F)cc1F)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008269 BDOMFJHCFORDFV-IRXDYDNUSA-N 317.379 3.997 0 40 DHAB CCC1=[N+]([O-])[C@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C 509506 BPPPIUPSZKIVLX-LBPRGKRZSA-N 303.189 3.837 0 40 DHAB O=C(/C=C/c1cccs1)OCC(=O)c1ccc(Cl)cc1 510247 ZMOOXRMDJQGMMJ-BQYQJAHWSA-N 306.770 3.841 0 40 DHAB COc1ccccc1CNC(=O)/C=C/c1ccccc1Cl 579338 READBBOYJLXHJG-ZHACJKMWSA-N 301.773 3.678 0 40 DHAB CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1 1838762 RZDMKGTYYDJLFK-UHFFFAOYSA-N 323.868 3.611 0 40 DHAB COCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 2990587 WFQWXAGJDBYQHP-DTQAZKPQSA-N 315.800 3.643 0 40 DHAB CCOCCCNC(=O)c1sc2cc(F)ccc2c1Cl 3208386 KDDHUCMZXRFLDJ-UHFFFAOYSA-N 315.797 3.850 0 40 DHAB c1csc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 3360162 MCZFZLMJGFTZMS-GFCCVEGCSA-N 311.410 3.949 0 40 DHAB COc1ccc(NC(=S)Nc2cccc(C(C)=O)c2)cc1 4065269 ARJDBMCISMRWHY-UHFFFAOYSA-N 300.383 3.707 0 40 DHAB O=C(O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 4201478 DHEHTBIBQFMAFO-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl 4667101 AEXPCUOCUOTZML-JOYOIKCWSA-N 322.257 3.850 0 40 DHAB O=C(CSc1nc2cc(Cl)ccc2o1)N1CCCCCC1 4740832 WZXQVDAHAWUUGM-UHFFFAOYSA-N 324.833 3.976 0 40 DHAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]32)C1 5029508 JSKPSAAKLUVICH-WRPXMVFYSA-N 317.473 3.833 0 40 DHAB CCOc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)o2)cc1 5169709 RVLIEIKGLYEFLQ-CQSZACIVSA-N 318.398 3.739 0 40 DHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1c(F)cccc1F 7878335 YROOBAREXQQXLF-JTQLQIEISA-N 322.380 3.584 0 40 DHAB O=C(c1ccc(-n2cccn2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 8340789 COWOELBGZXKGSO-DOTOQJQBSA-N 309.413 3.525 0 40 DHAB O=C(CCc1ccsc1)Nc1nc(-c2ccccn2)cs1 9368860 HFWCAEWCEDXLHY-UHFFFAOYSA-N 315.423 3.838 0 40 DHAB C/C=C/c1cc(C(=O)Nc2cc(C)ccn2)cc(OC)c1OC 9743575 OXIBUVXRLJZIJJ-AATRIKPKSA-N 312.369 3.693 0 40 DHAB COc1ccc(C)cc1NC(=O)Cc1cc(-c2ccccc2)on1 12422136 QYTLNDFXJBUPTR-UHFFFAOYSA-N 322.364 3.840 0 40 DHAB CC(=O)c1cccc(NC(=S)NCCCc2ccccc2)c1 13817404 MBBKDCYZVJFLFQ-UHFFFAOYSA-N 312.438 3.808 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc(-c2cccs2)on1 14095214 CEBFMOUWKKMQJZ-UHFFFAOYSA-N 314.366 3.972 0 40 DHAB CC(C)(C)c1noc([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)n1 19084609 SVTNAKXPBOQHPC-GFCCVEGCSA-N 321.371 3.635 0 40 DHAB Cc1cc(Br)ccc1NC(=O)c1cccc(N)c1C 19397690 ZPMSXLBBCPQUMF-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Cc1nc(SCC(=O)NC2CCCC2)[nH]c1-c1ccccc1 20293696 DJTORFZVIUEJFW-UHFFFAOYSA-N 315.442 3.536 0 40 DHAB CCOC(=O)c1ccc(NCc2cccc(C(F)(F)F)c2)nc1 25067047 VNKJGAIXZYDWKL-UHFFFAOYSA-N 324.302 3.889 0 40 DHAB Cc1cc(CN(C)C(=O)c2cc3cc(Cl)ccc3o2)no1 25136938 MZFJWCHILIEAMP-UHFFFAOYSA-N 304.733 3.655 0 40 DHAB C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@@H]1CCCO1 27876036 RZLMOYZUVCDKLG-CABZTGNLSA-N 319.348 3.596 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nnc(-c3ccc(C)cc3)[nH]2)C1(C)C 28857047 ONVRNYJERJEEGE-LSDHHAIUSA-N 324.428 3.957 0 40 DHAB CCOCCOCc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 47604160 YQMMVRWVRXVJJQ-OAHLLOKOSA-N 320.433 3.504 0 40 DHAB Cc1ccc(NC(=O)N(CCO)Cc2ccsc2)c(Cl)c1 52230380 NZYNIVNFHMTLMF-UHFFFAOYSA-N 324.833 3.736 0 40 DHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCCc2ccccc21 57413154 NSQIZEFRVZFNDL-UHFFFAOYSA-N 309.394 3.731 0 40 DHAB COc1ccc(C2(C(=O)OCc3ccccn3)CCCC2)cc1 57574595 LBUDOUIWBSJBIB-UHFFFAOYSA-N 311.381 3.645 0 40 DHAB Cc1c(C(=O)N(C)C2CCCCCC2)[nH]c2c1C(=O)CCC2 58357535 XRQHKFBJCZPHMA-UHFFFAOYSA-N 302.418 3.637 0 40 DHAB CCc1ccsc1C(=O)Nc1ccc(Br)cn1 64699558 GTGFRZNSFVOJHX-UHFFFAOYSA-N 311.204 3.720 0 40 DHAB CN(C(=O)c1cccc(NC(=O)C2CC2)c1)C1CCCCCC1 65586861 RDSKVCKIKHFRCE-UHFFFAOYSA-N 314.429 3.830 0 40 DHAB O=[S@@](Cc1ccccc1)Cc1coc(-c2cccs2)n1 69484257 YHLXVSCZRCUOPS-HXUWFJFHSA-N 303.408 3.852 0 40 DHAB CC(C)CCc1noc(C[S@](=O)c2cccc(Cl)c2)n1 69508555 OHWRKDWCBMFUNP-HXUWFJFHSA-N 312.822 3.619 0 40 DHAB COC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)c2cccs2)c1 69594018 HYBZBDQRXJTAJJ-NSHDSACASA-N 318.398 3.760 0 40 DHAB COc1ccc(N(C(=O)Cc2ccc(C)nc2)C(C)C)cc1F 69697207 UQFLOQTWZWOSSJ-UHFFFAOYSA-N 316.376 3.522 0 40 DHAB Cc1c(C(=O)N2CCC(N(C)C)CC2)sc2cccc(F)c12 71846621 OHJOOAOKIGANKN-UHFFFAOYSA-N 320.433 3.515 0 40 DHAB Cc1cccn2cc(C[S@@](=O)[C@H](C)c3cccs3)nc12 79053187 IWDPCBFQZWROMG-ODXCJYRJSA-N 304.440 3.714 0 40 DHAB Cc1cc(C)n(C[C@H](C)NC(=O)N(C)CCC2CCCCC2)n1 84102261 BYOYDDMLMRCFSG-HNNXBMFYSA-N 320.481 3.500 0 40 DHAB COc1cccc(Br)c1OC(=O)OC(C)(C)C 89694254 UIKYKSKVLGJRMT-UHFFFAOYSA-N 303.152 3.772 0 40 DHAB CC[C@@H](NCc1ncccc1C(F)(F)F)c1nccs1 95988334 SRLSAXZJLRMEBR-SNVBAGLBSA-N 301.337 3.798 0 40 DHAB CC(=O)NC1CCC(NCC2CCC(C(C)(C)C)CC2)CC1 96010129 XLTAOOXWZDBXFO-UHFFFAOYSA-N 308.510 3.876 0 40 DHAB O=C1Nc2ccccc2/C1=C/c1cccc(Br)c1 97990480 LYEPMDJQTHPUAP-LCYFTJDESA-N 300.155 3.942 0 40 DHAB CS[C@@H]1CCC[C@H]1N(C)Cc1nnc(-c2cccs2)o1 110642494 RTHSADNJNWBXEE-GHMZBOCLSA-N 309.460 3.514 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)c(C)c1 224910228 UCPPSILBWYJWGR-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB Cc1ccc(C)c(C(=O)NCc2nc(-c3ccccc3C)no2)c1 225478349 WUMWHTWLSRUQIE-UHFFFAOYSA-N 321.380 3.592 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225562494 LGFFJVMGNLUPTA-UHFFFAOYSA-N 322.380 3.639 0 40 DHAB Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)c(C)c1 225881521 FKXCYNCXQCXTJL-KRWDZBQOSA-N 322.452 3.875 0 40 DHAB CC(C)N(C[C@@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)C(C)C 245229477 YTCOFICLLIPGED-ZMMAXQRCSA-N 311.510 3.698 0 40 DHAB Cc1cccc([C@H](C)NC(=O)c2nc[nH]c2C(F)(F)F)c1C 1543319229 JBYWXUWSDUKZRH-JTQLQIEISA-N 311.307 3.536 0 40 DHAB COc1ccccc1N1C(=O)c2cccc3cccc(c23)C1=O 47615 HFYYRHNYFVEIHE-UHFFFAOYSA-N 303.317 3.649 0 40 DHAB CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCS4)CS1 258229 OHCGEJNQQHCMNJ-UHFFFAOYSA-N 324.496 3.522 0 40 DHAB CC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12 807162 JPMWFRLLJNNHDW-UHFFFAOYSA-N 306.365 3.791 0 40 DHAB CCN(CC)C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 3263675 AVLBKAHPELJLIA-UHFFFAOYSA-N 320.392 3.657 0 40 DHAB CCc1ccc(C(=O)COC(=O)/C=C/c2ccc(F)cc2)cc1 3275418 HHEBBUVROUWZKV-KPKJPENVSA-N 312.340 3.827 0 40 DHAB C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1 3413708 RLKJQEZLORTTJE-OAHLLOKOSA-N 307.393 3.932 0 40 DHAB CC(C)c1ccc(CCNC(=O)COc2cccc(F)c2)cc1 3554595 IMCFFBGJXAUPTG-UHFFFAOYSA-N 315.388 3.687 0 40 DHAB CCOc1ccc(-c2noc(-c3ccco3)n2)cc1OCC 4433635 RFVJRURXOKGXGY-UHFFFAOYSA-N 300.314 3.794 0 40 DHAB CCN(CC)C(=O)c1cccnc1-c1nc2ccccc2s1 5451238 BMATYRWXGWHDFE-UHFFFAOYSA-N 311.410 3.840 0 40 DHAB O=c1c2ccccc2ncn1Cc1csc(-c2ccccc2)n1 5466207 UTPZHZVQCVUMDR-UHFFFAOYSA-N 319.389 3.568 0 40 DHAB Cc1noc(C)c1COC(=O)c1c(Cl)cccc1Cl 5861322 LZLWJRGBHBSDEU-UHFFFAOYSA-N 300.141 3.955 0 40 DHAB COC(=O)c1cc(CSc2ncnc3sccc23)oc1C 6115418 XPFHFTPNAXKQRO-UHFFFAOYSA-N 320.395 3.672 0 40 DHAB CCc1nnc2c(NC3CCCCCC3)nc3ccccc3n12 7504133 OQANLTOKSCZQNT-UHFFFAOYSA-N 309.417 3.975 0 40 DHAB CCOc1ccc(CNCCc2ccc(F)cc2)cc1OC 8324698 SJVXOSFJBMPSPT-UHFFFAOYSA-N 303.377 3.565 0 40 DHAB CCNc1nnc(SCc2cccc3cccnc23)s1 10214059 MGIHSCVNXAKZAL-UHFFFAOYSA-N 302.428 3.810 0 40 DHAB COc1cccc(C(=O)Nc2ccc3ncsc3c2)c1OC 10217335 QYVLIINGYRFZHX-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB CCCn1cc(CNC2(c3ccccc3OC)CCCC2)cn1 12344509 MYRVJLIJZFRCLV-UHFFFAOYSA-N 313.445 3.861 0 40 DHAB CCc1ccc(-n2c(=S)sc3c(=O)[nH]c(=S)[nH]c32)cc1 12966671 AMIIEVLVAJBSLE-UHFFFAOYSA-N 321.452 3.730 0 40 DHAB Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1F 13000669 ITZCWUJBJQRNBM-UHFFFAOYSA-N 312.348 3.712 0 40 DHAB O=C(NC[C@H]1CCCO1)c1ccc(-c2ccccc2Cl)o1 14171290 GMIDWDDULHMGLA-LLVKDONJSA-N 305.761 3.509 0 40 DHAB Cc1cccc(Oc2ccccc2NC(=O)c2cnn(C)c2)c1 14200178 GXBKOBUFURHQAZ-UHFFFAOYSA-N 307.353 3.773 0 40 DHAB C(=C/c1nc(Cn2cnc3ccccc32)no1)\c1ccccc1 17178081 GJBZAJNQJWXGRJ-ZHACJKMWSA-N 302.337 3.638 0 40 DHAB Cc1cc([C@H]2CCCCCN2C(=O)c2cc(C3CC3)on2)on1 19120143 KUHADKQQJBZCGD-CQSZACIVSA-N 315.373 3.606 0 40 DHAB O=C(Nc1ccccc1C1CC1)c1nn2cccnc2c1Cl 19348022 NVACYFFCLVGSSC-UHFFFAOYSA-N 312.760 3.512 0 40 DHAB c1ccc([C@H]2CCN(Cc3cccnc3)[C@@H]3CCCCN[C@H]23)cc1 19373897 SLGFIRLRWWKSEH-NJDAHSKKSA-N 321.468 3.582 0 40 DHAB Cc1ccc(NC(=O)c2c(F)cccc2Cl)c(C(=O)O)c1 21504993 XULRKAYFPGGBER-UHFFFAOYSA-N 307.708 3.738 0 40 DHAB in-vitro COc1ccc(CCC(=O)N[C@@H](C)c2cccs2)cc1OC 23435117 GJMRXQAARVTENY-LBPRGKRZSA-N 319.426 3.575 0 40 DHAB Cc1ccc(C(=O)N(Cc2c(C)noc2C)c2ccccc2)cn1 23502022 LBPVSOSORKAXDK-UHFFFAOYSA-N 321.380 3.842 0 40 DHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(F)cc2)n1 25015115 BFYQBGFFWCNNET-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB CC[C@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc(Cl)cc1 25553116 SDWPQJDIGRLAPJ-BBRMVZONSA-N 308.853 3.782 0 40 DHAB Cc1noc(C)c1CNc1cc2c(cc1Cl)OCCCO2 26784227 IHGLATDWEYAWKQ-UHFFFAOYSA-N 308.765 3.718 0 40 DHAB O=C1CCCN1CCc1nc(-c2ccc(Cl)cc2)cs1 30447760 KMPXFBCMXIWKFH-UHFFFAOYSA-N 306.818 3.628 0 40 DHAB CC(C)(C)SCCNC(=O)CSCc1ccc(F)cc1 30758620 ATIWORWKQFJRPR-UHFFFAOYSA-N 315.479 3.707 0 40 DHAB O=C(O)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 32918474 ZGDHMEPJGZJHFF-UHFFFAOYSA-N 310.284 3.773 0 40 DHAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 33047902 KKAGOPWPHUCUFW-UHFFFAOYSA-N 321.364 3.659 0 40 DHAB C[C@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 40103308 OXKAFWJBMUYYFJ-LLVKDONJSA-N 320.776 3.635 0 40 DHAB CCc1nn2c(Cc3c(Cl)cccc3Cl)nnc2s1 40285679 LHIBPLACURAVRU-UHFFFAOYSA-N 313.213 3.646 0 40 DHAB CCOc1cccc(CNC(=O)Cc2ccccc2Cl)c1 48376964 QABYBDYRICDIPI-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB CC(C)c1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 58344886 AYDAXRFTBYTVDF-ZWKOTPCHSA-N 310.397 3.590 0 40 DHAB O=C(Nc1cccc2[nH]ccc12)C1(c2ccccc2)CCOCC1 65474911 OVAWAIFDRNSDJS-UHFFFAOYSA-N 320.392 3.855 0 40 DHAB biogenic O=C(Nc1nc2c(s1)CCC2)c1cnc(-c2ccco2)s1 65623319 OMUYFPNXPWKEDI-UHFFFAOYSA-N 317.395 3.601 0 40 DHAB COc1ccc2oc(/C=C/C(=O)NCCc3ccccc3)cc2c1 67339878 ZAWSMALGFYFLBG-CSKARUKUSA-N 321.376 3.814 0 40 DHAB CC(C)[C@H](C)NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 69451487 YEWBVTXGBLFFNM-LBPRGKRZSA-N 315.373 3.698 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)c1csc(COC)n1 71830950 VULIDBJWSVLQNB-LBPRGKRZSA-N 322.455 3.501 0 40 DHAB CN(C)c1cccc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)c1 71910585 SDDMHWHXTSOOGX-GNISGLHKSA-N 321.424 3.525 0 40 DHAB COc1ncc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1C 72217749 SXTGJOQWTCXXKK-AWEZNQCLSA-N 306.406 3.861 0 40 DHAB O=C(NCCNc1ccccc1)Nc1nc2ccccc2s1 75093680 ZNKWJAYQKNWLSX-UHFFFAOYSA-N 312.398 3.530 0 40 DHAB CC[C@H](c1ccncc1)N(C)C(=O)NCCc1cccc(C)c1 76018562 SKMIIFYPFIHMSG-GOSISDBHSA-N 311.429 3.725 0 40 DHAB CCOC1CCN(C(=O)c2cccc(OCC=C(C)C)c2)CC1 76040691 PXDDJPIYBAZXHL-UHFFFAOYSA-N 317.429 3.673 0 40 DHAB Cc1cc(-c2csc(CN3CCOCC3)n2)c(C)c(C)c1C 76316360 DBLYXYPUJXODJU-UHFFFAOYSA-N 316.470 3.876 0 40 DHAB O=C(c1ccccn1)N1CCSc2ccc(C(F)(F)F)cc21 84609825 WGUJSAXKESPDAT-UHFFFAOYSA-N 324.327 3.853 0 40 DHAB OCc1ccccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 89813984 JKDZLIYHLXSSKF-GOSISDBHSA-N 309.409 3.715 0 40 DHAB CCOC(=O)c1cnc2cc(Cl)c(OC(F)F)cc2c1 95097578 FLBPJKNXYSJIHO-UHFFFAOYSA-N 301.676 3.666 0 40 DHAB CCc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)n2ccnc2)o1 96417137 TXVMRJFHZNSKOD-GOEBONIOSA-N 315.417 3.743 0 40 DHAB CC[C@H](C)c1cc(C(=O)Nc2ccc(CN(C)C)cc2)on1 96423574 FGEGUZKSSHQODX-LBPRGKRZSA-N 301.390 3.502 0 40 DHAB CN(Cc1coc(-c2ccccc2)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 96443455 SXCQNQHUJDUUMR-ZACQAIPSSA-N 312.413 3.587 0 40 DHAB Cc1csc(-c2nc(O)c3cc(Br)ccc3n2)n1 97115161 CKIRRMHNNCTNGL-UHFFFAOYSA-N 322.187 3.530 0 40 DHAB COc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2Cc2cccnc2)cc1 100113292 AWCDBPOHAKXSBK-ABSDTBQOSA-N 324.424 3.522 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1-c1ccccc1)[C@H]1C=C[C@H]2C1 100552946 IVDPCBAMVHDKTB-LNMJFAINSA-N 315.372 3.665 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2CC1 100559727 WHRHSPJKHGPVCS-WBRVRECLSA-N 322.191 3.695 0 40 DHAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)c(C)c1 101275328 SPQADAGXBLOZTP-QGZVFWFLSA-N 322.408 3.664 0 40 DHAB Cc1csc(C2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)n1 101401769 LLNBLLSALQBDRK-ZIAGYGMSSA-N 304.459 3.594 0 40 DHAB [O-][n+]1c2c(n(O)c1[C@H]1C[C@H]3C=C[C@H]1C3)-c1cccc3cccc-2c13 104481702 KZAPWUFFZFBXGV-RBOXIYTFSA-N 316.360 3.839 0 40 DHAB O=C(NCCC[C@@H]1CCCCO1)c1ccccc1C(F)(F)F 186683445 ALGALTBTFUMPAH-LBPRGKRZSA-N 315.335 3.785 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 224431976 UVUWUEXEYDETFE-HNNXBMFYSA-N 313.397 3.856 0 40 DHAB CCOc1ccc(S(=O)(=O)N(C)c2c(C)cccc2C)cc1 224579020 QQTSTLWKOGQDAX-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCC2(CC1)OCCS2 225620345 NAWXHXOTVIPXIV-UHFFFAOYSA-N 319.451 3.597 0 40 DHAB CCNc1cc([C@@H]2CCCN2Cc2ccc(C)cc2)nc(C)n1 257323053 WIOOWTLQRMPCDM-SFHVURJKSA-N 310.445 3.862 0 40 DHAB O=C(O)c1cn(Cc2cccc(Cl)c2Cl)nc1C(F)F 408717656 MWXARZMMGBEXNF-UHFFFAOYSA-N 321.110 3.874 0 40 DHAB Cn1c(SCCCc2cccnc2)nnc1-c1cccs1 585118843 DYWWCMNHVJMNRX-UHFFFAOYSA-N 316.455 3.664 0 40 DHAB CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC 147255 IVWZKDFACQJLSG-ZRDIBKRKSA-N 311.381 3.918 0 40 DHAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(Cl)c1 176620 FQTUZZQEZQBMPT-ZROIWOOFSA-N 301.704 3.824 0 40 DHAB NC(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 1401611 NXXACMFQSYNCCP-UHFFFAOYSA-N 320.723 3.505 0 40 DHAB O=C1c2ccccc2C[C@@]12Cc1ccc3c(c1C2=O)CCCC3 1645345 HJEQLZWLQIVQKC-OAQYLSRUSA-N 302.373 3.730 0 40 DHAB O=c1ccn(Cc2ccccc2)c(SCc2ccccc2)n1 1686086 PMWNVIARNYUXBO-UHFFFAOYSA-N 308.406 3.584 0 40 DHAB Nc1nnc(SCc2cc(Cl)ccc2OC(F)F)s1 3233824 WBOITOPYRYDKCS-UHFFFAOYSA-N 323.777 3.667 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 3486813 JZTQYJRBTNRCDK-RDTXWAMCSA-N 317.429 3.743 0 40 DHAB Cc1ccc(Nc2nc(C(=O)NCc3cccnc3)cs2)cc1 4675595 FKSUBZNSYZATIG-UHFFFAOYSA-N 324.409 3.520 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc(C)c1C 5375254 DLGBDDPBBQPZFF-QGZVFWFLSA-N 313.353 3.602 0 40 DHAB CCOc1ccc(-c2nn(CN3CCCCC3)c(=S)o2)cc1 5478542 QHEDBMIKKSYWFA-UHFFFAOYSA-N 319.430 3.715 0 40 DHAB CC(=O)c1ccc(OCC(=O)c2cc(C)n(C3CC3)c2C)cc1 5654426 GUEODNVLSGQQQW-UHFFFAOYSA-N 311.381 3.904 0 40 DHAB CCn1c(SCc2ccccc2F)nc2ccccc2c1=O 6654458 RIDHJQTYLISRGT-UHFFFAOYSA-N 314.385 3.848 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)Cn1nnc2ccccc21 6999104 QAHGSEPOCXQUGY-UHFFFAOYSA-N 308.385 3.502 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)CSc2nc(C)cs2)cc1 7195466 ICQTZQHEYUAXPF-GFCCVEGCSA-N 320.483 3.983 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7882141 HTJBLVCEEGJKLM-NVXWUHKLSA-N 322.408 3.543 0 40 DHAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3ccccc3)ccc21 8417184 ZYMNYGUJLNIOPM-UHFFFAOYSA-N 319.286 3.844 0 40 DHAB O=C(OCc1nc2ccccc2o1)c1ccc(OC(F)F)cc1 8571962 MMYRJBCARRQOPL-UHFFFAOYSA-N 319.263 3.786 0 40 DHAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)c(Cl)c1 8745263 JDHZBFJXZBHVOS-CYBMUJFWSA-N 317.772 3.845 0 40 DHAB O=Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 9235989 VEGAGHPIODVHLB-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(C)c(C)c1 9458890 ADJUQOWORSXINC-UHFFFAOYSA-N 311.381 3.696 0 40 DHAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 9997190 ZBHUGRFJYAQKHD-GHMZBOCLSA-N 315.244 3.910 0 40 DHAB O=C(CSc1ccccc1)Nc1ccc2c(c1)OC(F)(F)O2 12875584 SVUBTTCURPQWIH-UHFFFAOYSA-N 323.320 3.739 0 40 DHAB CCc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 13002219 HPWNOOBWIPFUNF-UHFFFAOYSA-N 308.385 3.827 0 40 DHAB CCOc1ccccc1NC(=S)NCc1ccccc1F 13937090 IGPQITNRLNBVKW-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB COc1ccc(-c2nnc(SC/C=C/Cl)o2)cc1OC 15514092 JXNSXYOHGLQTSN-ZZXKWVIFSA-N 312.778 3.598 0 40 DHAB COc1cc(C(C)=O)ccc1OCc1cc(-c2ccco2)on1 15552512 WPYFJUFSRGYAFV-UHFFFAOYSA-N 313.309 3.725 0 40 DHAB O=C(CC1CCCC1)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19014578 CUKQJGPIYDFRBA-HNNXBMFYSA-N 317.433 3.623 0 40 DHAB Cc1cc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)on2)on1 19120140 KUHADKQQJBZCGD-AWEZNQCLSA-N 315.373 3.606 0 40 DHAB COC(=O)[C@H](C)c1ccc(-c2ccc(C(C)=O)cc2)c(F)c1 22047378 GSUUVAORLIYLIT-LLVKDONJSA-N 300.329 3.972 0 40 DHAB in-vitro C[C@H]1CCCN(Cc2ccc(C(=O)N3CCCCC3)cc2)C1 22529322 HUIISOZCQIZWFG-INIZCTEOSA-N 300.446 3.545 0 40 DHAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27582167 WLFZXMPGOWHGHP-INIZCTEOSA-N 314.454 3.623 0 40 DHAB Cc1cc(C(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)o1 27916052 MFNFTFFYBSKDSO-UHFFFAOYSA-N 313.332 3.533 0 40 DHAB C[C@H]1c2cccn2CCN1C(=O)Cc1cccc2ccccc12 30267216 FIJPFFHVGFHWEP-HNNXBMFYSA-N 304.393 3.787 0 40 DHAB Cc1cc(-c2csc(CCN3CCCC3=O)n2)c(C)s1 30447874 GZFVKJUNEUSAEZ-UHFFFAOYSA-N 306.456 3.653 0 40 DHAB CCC(=O)Nc1ccc([C@@H](C)NCc2cccc(OC)c2)cc1 30640280 MVZIDGWFXCROOY-CQSZACIVSA-N 312.413 3.895 0 40 DHAB COc1ccc(NC(=O)Cn2ccc3ccccc32)cc1Cl 32070892 JECXXSFSORJCRY-UHFFFAOYSA-N 314.772 3.942 0 40 DHAB O=C(Cc1ccc2c(c1)CCCC2)NCCc1ccc(F)cc1 32674214 YRCLJBNNYDURKQ-UHFFFAOYSA-N 311.400 3.606 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 34798106 ZOSHTBGCFMCDRD-HLLBOEOZSA-N 301.430 3.899 0 40 DHAB CCCCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 38858955 MOBVJNBFVYRSHE-UHFFFAOYSA-N 302.462 3.839 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)NC[C@H](O)c1ccccc1F 40099217 UAGFGPNQQSMFNP-HNNXBMFYSA-N 322.767 3.643 0 40 DHAB CCCc1nnc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 40141366 WZKULMMIXMFADF-DTWKUNHWSA-N 321.368 3.798 0 40 DHAB CC(C)(C)n1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cn1 44013191 DSZCPNORGDDUNI-AWNIVKPZSA-N 301.777 3.784 0 40 DHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1c(C)noc1C 47621006 GRFMLMUFOHVENU-UHFFFAOYSA-N 321.442 3.871 0 40 DHAB Cc1noc(C(C)C)c1C(=O)NCCc1ccc(Cl)s1 48265164 IPPTZWWJMVQOLN-UHFFFAOYSA-N 312.822 3.794 0 40 DHAB C[C@@H](NCc1csc(-c2ncccn2)n1)c1cccc(F)c1 48680794 ZDIQAERQPBYCAV-LLVKDONJSA-N 314.389 3.590 0 40 DHAB Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(C)n3)CC2)c1 55709292 TXVFSRALFXBMFZ-UHFFFAOYSA-N 324.424 3.690 0 40 DHAB Cc1ccn2cc(C(=O)N(C3CC3)[C@H](C)c3ccco3)nc2c1 56183721 CJEBOSFQVSHNGJ-CYBMUJFWSA-N 309.369 3.602 0 40 DHAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(C(C)C)C3 57140559 BTTKUPFRPBILHF-UHFFFAOYSA-N 307.777 3.569 0 40 DHAB O=C(Nc1cn[nH]c1)N1CCC(c2cccc3ccccc23)CC1 58514284 NZMFCUQLBKPHPD-UHFFFAOYSA-N 320.396 3.974 0 40 DHAB CCOC(=O)c1ccc(OCCCOc2ccccc2)cc1 61111789 LZZAXBJEHPKJCY-UHFFFAOYSA-N 300.354 3.711 0 40 DHAB CO[C@@H](C(=O)NCC1(c2ccccc2)CCC1)c1ccccc1 61159234 VDTYSNCQVASREI-GOSISDBHSA-N 309.409 3.612 0 40 DHAB COC(=O)Nc1cc(NC(=O)c2ccc(F)cc2F)ccc1F 66489188 UULXBMOERIDAIZ-UHFFFAOYSA-N 324.258 3.535 0 40 DHAB CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2c2ccco2)c1 67056730 WAZQEWCLKXTHHK-NEPJUHHUSA-N 318.760 3.634 0 40 DHAB CC(C)c1cc(C(=O)Nc2ccccc2O)n(-c2ccccc2)n1 71286735 GMQKBWJKAAKEAB-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB Cc1ccc(OCCCC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 71818737 BINKTMTZGIKVME-GOSISDBHSA-N 312.413 3.846 0 40 DHAB Cc1c(NC(=O)N(C)Cc2ccco2)cccc1OC(F)F 71854992 LXIZVZOYDBCXAO-UHFFFAOYSA-N 310.300 3.853 0 40 DHAB CCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCCN2)n1 72209137 ZGUXBGQEUVEYCY-ZDUSSCGKSA-N 321.808 3.993 0 40 DHAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c(C)oc(C)c1C 72234036 MFEPBPCANLYJRB-HNNXBMFYSA-N 315.417 3.533 0 40 DHAB Fc1cnc(Cl)nc1Oc1ccc(Br)cc1 85754761 QFDYBXPVQAPMLT-UHFFFAOYSA-N 303.518 3.824 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Nc2ccc(OC(C)C)c(C)c2)no1 89591137 UCSXQVGEXQOPLK-ZDUSSCGKSA-N 317.389 3.518 0 40 DHAB C[C@H](CNC[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 95443047 PLXUJAKOKODMLM-CRAIPNDOSA-N 316.420 3.949 0 40 DHAB CC(C)(C)OC(=O)Nc1cnc(Cl)c(Br)c1 95830728 QRNAOYQNEWLLSK-UHFFFAOYSA-N 307.575 3.845 0 40 DHAB CCc1nc2cc(N[C@H](Cc3ccccc3)C(=O)OC)ccc2o1 95942190 INYYCIYJPOYGSF-MRXNPFEDSA-N 324.380 3.586 0 40 DHAB CC[C@H](C)[C@H](NCc1csc(C2CC2)n1)C(=O)OC(C)(C)C 95987484 ULVJWODBDMLOGE-FZMZJTMJSA-N 324.490 3.867 0 40 DHAB Cc1cc(O)ccc1NC(=O)Nc1cc(-c2nnco2)ccc1C 97104833 VTVUPOJUKYKOJJ-UHFFFAOYSA-N 324.340 3.703 0 40 DHAB Cc1ccccc1CN(C)C(=O)CN(C)[C@@H](C)c1ccccc1 98073950 WQJJVUILWJDDCT-KRWDZBQOSA-N 310.441 3.646 0 40 DHAB O=C(NCCCCOC1CCCCCC1)N1C[C@H]2CC[C@H]1C2 101072451 YCRWTYMZHLQCOH-HOTGVXAUSA-N 308.466 3.700 0 40 DHAB Oc1cc(Cc2ccccc2)nc2cc(-c3ccccc3)nn12 104102020 QBBPGDJONHGNBS-UHFFFAOYSA-N 301.349 3.693 0 40 DHAB Cc1csc2c(N3CCC(C(F)(F)F)CC3)ncnc12 192634597 HHFCUJIRJYOZNE-UHFFFAOYSA-N 301.337 3.778 0 40 DHAB C[C@@H](COc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2 225634782 WTDOHSWKWNOGNE-HNNXBMFYSA-N 309.409 3.763 0 40 DHAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2cnccn2)cs1 257319840 VUGISKOVELELRY-AWEZNQCLSA-N 301.415 3.639 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@](C)(O)c1ccccc1 306145832 RWDXXPDOUZIVNY-GFCCVEGCSA-N 308.261 3.753 0 40 DHAB Cc1nccn1CC1CN(c2nc3c(Cl)cccc3s2)C1 1889151322 VTDHNEZTVXFNQX-UHFFFAOYSA-N 318.833 3.591 0 40 DHAB CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 364331 ZHXZNLVAMNRFIB-HNNXBMFYSA-N 312.413 3.939 0 40 DHAB Nn1c(SCc2ccccc2)nnc1-c1cccc(Cl)c1 531205 KWAKSDPMQBTZDX-UHFFFAOYSA-N 316.817 3.605 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 579767 JLTFDFOEECRADN-NSHDSACASA-N 307.752 3.563 0 40 DHAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(O)cc1 2404288 IWBITHZHSGKLPU-NTEUORMPSA-N 315.325 3.772 0 40 DHAB COc1ccc(CCNC(=S)Nc2ccc(C)cc2)cc1 3180464 GAKCMPRAJKWJRR-UHFFFAOYSA-N 300.427 3.533 0 40 DHAB C[C@H]1Sc2nnc(-c3cccs3)n2N=C1c1ccccc1 4060791 SOZMCXKJZPLYMU-SNVBAGLBSA-N 312.423 3.753 0 40 DHAB COc1ccc(/C=C/c2nc(-c3ccccc3)no2)cc1OC 4487178 FHSQPFXQGUSHKL-PKNBQFBNSA-N 308.337 3.924 0 40 DHAB C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 4488764 OGLZJGGVPOZKKC-AAOUONPWSA-N 313.353 3.562 0 40 DHAB aggregator CCOc1ccc2nc(NC(=O)Cc3ccsc3)sc2c1 5635760 WARVMVKRHBFRBE-UHFFFAOYSA-N 318.423 3.938 0 40 DHAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1 6483633 KMWNKQQKOLZMKW-UHFFFAOYSA-N 304.802 3.775 0 40 DHAB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21 6960452 XQGBSOPGRHDZAL-IYOUNJFTSA-N 306.365 3.915 0 40 DHAB CCCn1c(=O)n(Cc2cc(-c3ccco3)on2)c2ccccc21 7025765 KBYYFEHGSFTXDB-UHFFFAOYSA-N 323.352 3.509 0 40 DHAB Cc1ccccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 8112606 JNGXMBLQVMFXHR-UHFFFAOYSA-N 308.381 3.764 0 40 DHAB CCCCNC(=S)N1CC=C(c2c[nH]c3ccccc23)CC1 11084582 UDCACXVKMHXFBU-UHFFFAOYSA-N 313.470 3.932 0 40 DHAB Cc1cc(-c2nn3c(C(C)C)nnc3s2)c2ccccc2n1 12389472 SGWBUNJQVMXYSK-UHFFFAOYSA-N 309.398 3.833 0 40 DHAB Cc1cc(C)c2c(N)c(C(=O)NCC3CCCCC3)sc2n1 12511472 ZMOMPKDRUNGYJL-UHFFFAOYSA-N 317.458 3.805 0 40 DHAB CCCCC[C@H](C)NC(=O)CSc1ncc2ccccn12 12550063 ZLCHGBHBKYZISO-ZDUSSCGKSA-N 305.447 3.511 0 40 DHAB Cc1nc(CSc2ccc(C(=O)NC3CC3)cc2)cs1 12759953 ACHXPETYCAQKPM-UHFFFAOYSA-N 304.440 3.636 0 40 DHAB COc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1OC 12918332 SKJGODZDCVGFRF-UHFFFAOYSA-N 315.413 3.715 0 40 DHAB CCOC(=O)c1sc(NC(=O)Cc2cccc(F)c2)cc1C 12939756 LKOAVKXALBZALT-UHFFFAOYSA-N 321.373 3.554 0 40 DHAB Cc1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc1 13040164 GRRUGEWMLQESET-ZDUSSCGKSA-N 302.805 3.938 0 40 DHAB c1ccc(-c2nc3ccccc3n2CCc2ccncc2)nc1 13211799 NKHSTDRPODDKLJ-UHFFFAOYSA-N 300.365 3.736 0 40 DHAB COC(=O)c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 15302313 MMDATDSHZPJVHX-UHFFFAOYSA-N 309.365 3.604 0 40 DHAB O=C(C[C@H]1NCCc2ccccc21)Nc1ccccc1Cl 20404871 ABJDZBPTRZYDHL-MRXNPFEDSA-N 300.789 3.556 0 40 DHAB Cc1ccccc1CC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 20502920 LRBVIUYQELHABM-NSHDSACASA-N 300.427 3.758 0 40 DHAB COc1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)cc1Cl 20572117 YMRTUDQERNKCFR-SECBINFHSA-N 320.776 3.714 0 40 DHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccn1 21533965 QWZGSRGLTPRCMF-UHFFFAOYSA-N 324.409 3.544 0 40 DHAB CCN1CCC[C@H]1CN(Cc1ccccc1)Cc1ccncc1 23247750 KKELUAQJFRRDDP-FQEVSTJZSA-N 309.457 3.568 0 40 DHAB Cc1cccc(OCCN(C)C(=O)c2cc(Cl)ccc2O)c1 24215547 PUERNSJUYLRNTJ-UHFFFAOYSA-N 319.788 3.505 0 40 DHAB CC(=O)c1csc(NC(=O)CCc2ccc(C)c(Cl)c2)n1 24703591 LTODRHIMBANQFM-UHFFFAOYSA-N 322.817 3.879 0 40 DHAB C[C@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1Cl 25987142 UKBXWDDLSSYILD-JTQLQIEISA-N 324.211 3.949 0 40 DHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCc2ccccc2C1 26227485 YYFMBYPBNJHFFH-LBPRGKRZSA-N 311.410 3.917 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)[C@@H]1CCc2ccccc21 29482812 MZHKJKBRTVVPNC-MGPUTAFESA-N 320.436 3.584 0 40 DHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)N[C@H]1CCCC[C@@H]1C 32863317 JZERMIODQOLRJD-BBRMVZONSA-N 322.424 3.945 0 40 DHAB COc1ccc(Cl)cc1NC(=O)NCCc1cccs1 33636821 CXFGLUQUUQHMCA-UHFFFAOYSA-N 310.806 3.774 0 40 DHAB CCOc1cc(CO)cc(Br)c1O[C@@H](C)CC 34772847 IHOMCXVTIBFMNL-VIFPVBQESA-N 303.196 3.517 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 34916274 XKFIUJRRUGOOKR-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](SC1=NN[C@H]3CCCC[C@H]13)C2=O 35193432 XJRJIPQHVKZMKW-XTASOONQSA-N 306.475 3.589 0 40 DHAB CN(C)C(=O)c1ccc(OCc2coc(-c3ccccc3)n2)cc1 42113841 ISXOPMPNULDXPP-UHFFFAOYSA-N 322.364 3.622 0 40 DHAB OC1=Nc2c(cnn2-c2ccccc2)[C@H](c2ccncc2)SC1 44918327 BDJAQBFXCMLWJM-INIZCTEOSA-N 322.393 3.692 0 40 DHAB COc1ccccc1OC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 45932282 VSVDUXDKKCYWDZ-UHFFFAOYSA-N 308.337 3.613 0 40 DHAB Cc1ncc(CN(C)Cc2coc(-c3ccc(F)cc3)n2)s1 47259216 UUAMPJJHXIGJOS-UHFFFAOYSA-N 317.389 3.878 0 40 DHAB c1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 49169281 KOJJEGRQCQNLBA-KRWDZBQOSA-N 305.381 3.726 0 40 DHAB biogenic,in-vitro CCOc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2 53162067 QLBBBUOKPSJXTH-UHFFFAOYSA-N 313.441 3.918 0 40 DHAB C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccncc2)cc1 53720495 OJWJTQGHOSAVSF-HNNXBMFYSA-N 309.413 3.708 0 40 DHAB Cc1csc(N(CC(F)(F)F)C(=O)c2cccs2)n1 60543521 BTTUAFOMVCHKAE-UHFFFAOYSA-N 306.334 3.722 0 40 DHAB CCCOc1cccc(NC(=O)N(CC)C[C@@H]2CCCO2)c1 62580571 YAZMNDBTOWNXGF-INIZCTEOSA-N 306.406 3.508 0 40 DHAB Cc1ccc(-c2noc(CN3CCC[C@@H]3c3ccc[nH]3)n2)cc1 65607214 BMYFVCWSHQQKIH-MRXNPFEDSA-N 308.385 3.710 0 40 DHAB COc1ccc(NC(=O)Cc2cccc(Cl)c2)c(OC)c1 67788787 YHEGZVZNEJLCEU-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB CC[C@@H]1C[C@H]1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 71908199 SGJXELGYECNKNN-BXUZGUMPSA-N 318.804 3.842 0 40 DHAB CCN(CC(C)(C)O)C(=O)Nc1cc(Cl)ccc1Cl 72309212 DIHKUYAFUIILRL-UHFFFAOYSA-N 305.205 3.618 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CNc3ccccc32)C1 91303106 UVKWHITVTJOVCV-HIFRSBDPSA-N 302.418 3.843 0 40 DHAB in-vitro O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N[C@@H]1CC=CCC1 93353204 JRHDFPSOKAQKTM-SECBINFHSA-N 306.316 3.731 0 40 DHAB COc1c2c(cc3c1OCO3)CCN([C@H](C)c1ccccc1)C2 95470484 GSQAIDWMTODYAO-CYBMUJFWSA-N 311.381 3.543 0 40 DHAB CCOC(=O)c1cccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c1 95635293 ZWRTWRRZEZUJSL-HNNXBMFYSA-N 319.401 3.935 0 40 DHAB in-vitro CN(Cc1cccnc1)C(=O)c1cc2cc(Cl)ccc2o1 95958233 KWNAEEHXQLONIU-UHFFFAOYSA-N 300.745 3.753 0 40 DHAB C[C@@H]1CCO[C@H]1C(=O)N1CCCSc2ccc(Cl)cc21 95971637 FSGXRBVGOHVBSD-QMTHXVAHSA-N 311.834 3.594 0 40 DHAB Cc1cccc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1 95990498 NGLZCBPMIUBSKM-CYBMUJFWSA-N 310.401 3.847 0 40 DHAB CO[C@@H]1CCN(c2ccc(NC(=O)Nc3cccs3)cc2)C1 96122331 RCMADCAWICNRFM-CQSZACIVSA-N 317.414 3.617 0 40 DHAB Cc1cc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)no1 96193989 SHUYHFMWLBAMJN-UHFFFAOYSA-N 323.337 3.562 0 40 DHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2cscn2)o1 96433172 DSTMKUNQHMUKIC-DOMZBBRYSA-N 318.442 3.977 0 40 DHAB OCCc1ccc(NCc2csc(-c3ccco3)n2)cc1 96461402 RKZPFZSFKPLPIA-UHFFFAOYSA-N 300.383 3.550 0 40 DHAB COc1ccc(C)nc1NC(=O)N1CCC[C@H]1c1cccs1 97378655 OYLBZLXHZULRMN-LBPRGKRZSA-N 317.414 3.829 0 40 DHAB Cc1ccc(NCc2nc(CC(C)C)no2)cc1Br 97703873 SSWFBVDDNGNOTK-UHFFFAOYSA-N 324.222 3.951 0 40 DHAB C[C@@]12C[C@H](NC(=O)N1c1cc(F)ccc1F)c1ccccc1O2 100851265 OFCJRBVQXGKLMM-SUMWQHHRSA-N 316.307 3.734 0 40 DHAB O=C(Nc1ccccc1)NC1CCN(Cc2ccsc2)CC1 115636725 SNAIUNSQVSFVCO-UHFFFAOYSA-N 315.442 3.534 0 40 DHAB Nc1cc(CSc2ncc(-c3ccc(F)cc3)o2)ccn1 193080609 CWVGULJHOBPHGX-UHFFFAOYSA-N 301.346 3.750 0 40 DHAB COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1Cl 223668366 JKTNLDRXDKJNBM-NSHDSACASA-N 301.773 3.940 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)c1conc1-c1ccccc1 225869450 PSSFSOFZHWKVIY-ZDUSSCGKSA-N 304.349 3.933 0 40 DHAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)nc2)CCC[C@@H](C)C1 225910535 AWNQYZPLPCTWMU-KDOFPFPSSA-N 320.433 3.794 0 40 DHAB COCc1nc(C)c(-c2nc(Cc3ccccc3C)no2)s1 252480084 BUMVHDZBSQIVPJ-UHFFFAOYSA-N 315.398 3.547 0 40 DHAB C[C@H](CN(C)CCc1cnccn1)c1ccc(C(F)(F)F)cc1 283389168 UIAPRGHLTGUQLV-CYBMUJFWSA-N 323.362 3.773 0 40 DHAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 408526898 CBEJDUPTQJLETA-UHFFFAOYSA-N 300.314 3.563 0 40 DHAB COc1ccc([C@H](Cc2ccccc2)NC(=O)NCC2CC2)cc1 571966387 LCFXCDPNLQWJAX-IBGZPJMESA-N 324.424 3.688 0 40 DHAB CCOc1ccc(-c2cc3c(=O)n(CC=C(C)C)ccn3n2)cc1 1888967217 FLDCAXQHDSAAPT-UHFFFAOYSA-N 323.396 3.528 0 40 DHAB Cc1ccccc1[C@](O)(Cc1ccccc1)[C@@H]1CN2CCC1CC2 1259765 FPDWKSDUHWWBCL-FGZHOGPDSA-N 321.464 3.767 0 40 DHAB COC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 1665929 DEOYBXLCCRIQMZ-UHFFFAOYSA-N 304.733 3.771 0 40 DHAB CN(C)CCOc1c(Cc2ccccc2)ccc2cccnc12 1700028 OCXUKPCGMRQVOM-UHFFFAOYSA-N 306.409 3.766 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)OCCc2ccc3c(c2)OCO3)C1(C)C 1711311 XBCLVCWFHKVHDH-WMLDXEAASA-N 316.397 3.739 0 40 DHAB COC(=O)c1c(Cl)c(Cl)c(C(=O)O)c(Cl)c1Cl 2040232 SXINVWXSZUQKSW-UHFFFAOYSA-N 317.939 3.785 0 40 DHAB in-vitro Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 2764785 NJXIIRNIYDRDJW-DNVCBOLYSA-N 309.409 3.956 0 40 DHAB CCCCCCc1nnc(NC(=O)c2ccc(OC)cc2)s1 3016583 RZSDXYFKSJKPHK-UHFFFAOYSA-N 319.430 3.922 0 40 DHAB CC(=O)Nc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1 3433073 FOQQTIBQQSCYAK-UHFFFAOYSA-N 321.735 3.795 0 40 DHAB CC(=O)c1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4163667 IAIMPPDAIYNOQE-UHFFFAOYSA-N 320.348 3.500 0 40 DHAB Clc1ccc(-c2nnc3sc(-c4cccnc4)nn23)cc1 4511688 MCSCHLQUAKYKKZ-UHFFFAOYSA-N 313.773 3.568 0 40 DHAB C[C@H]1CCCN(C(=O)C2CCN(CC3CCCCC3)CC2)C1 4576107 HDYKKIADXMYIEQ-INIZCTEOSA-N 306.494 3.537 0 40 DHAB Cc1ccc(CSCCNC(=O)CCc2ccccc2)cc1 4690857 YCYDESBUJFFXLS-UHFFFAOYSA-N 313.466 3.977 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 4838142 IVDPCBAMVHDKTB-FDCRZUCXSA-N 315.372 3.665 0 40 DHAB Cc1cc(NC(=O)CCc2ccccc2)ccc1N1CCCC1=O 5440004 ZNBWBZJPBVACCN-UHFFFAOYSA-N 322.408 3.693 0 40 DHAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)O[C@@H]1CCCCC1=O 7814804 PZLQLTKIFMWWAL-DNGMOHDESA-N 312.287 3.774 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1OC 7971350 RSCCUNUJAAXRSZ-UHFFFAOYSA-N 315.369 3.663 0 40 DHAB C[C@H](Sc1ncccc1Cl)C(=O)NCc1ccc(F)cc1 8704418 QRWIFADTEQFNRA-JTQLQIEISA-N 324.808 3.671 0 40 DHAB Cc1ccccc1-n1cnnc1SCc1cn2ccccc2n1 9367194 NFBAFEFFEFVWLZ-UHFFFAOYSA-N 321.409 3.516 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CCc1ccc2c(c1)OCO2 10413574 FGZRJPUOBGZBSF-UHFFFAOYSA-N 317.772 3.948 0 40 DHAB CC(C)(Oc1ccc(C(C)(C)C)cc1Br)C(=O)O 11993215 MEQBSALHASEOHZ-UHFFFAOYSA-N 315.207 3.989 0 40 DHAB O=C(O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 12394289 UVFDODMDTQOIQP-UHFFFAOYSA-N 306.277 3.848 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)Nc3ncccc3O)ccc2c1 12527015 YJBBDEQQPPTNHS-GFCCVEGCSA-N 322.364 3.691 0 40 DHAB CCc1ccc(Cl)c(CC)c1NC(=O)Cn1nc(C)cc1C 13985321 ICNQGXHVUIEKKE-UHFFFAOYSA-N 319.836 3.917 0 40 DHAB Cn1c[n+](Cc2cc(Cl)ccc2OC(F)F)c2ccccc21 15952951 ADCQLYJQDUDYLP-UHFFFAOYSA-N 323.750 3.769 0 40 DHAB Fc1ccccc1COc1cccc(CNC[C@H]2CCCO2)c1 16450051 LEFVXSXDMHMHMT-GOSISDBHSA-N 315.388 3.673 0 40 DHAB O=C(Cc1ccccc1F)NCCSc1ccc(Cl)cc1 20014292 OYTSKRCEEHPRQE-UHFFFAOYSA-N 323.820 3.930 0 40 DHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cccc(F)c1 22088127 ZOJUAERGIBNWBW-UHFFFAOYSA-N 321.355 3.752 0 40 DHAB O=C(NC1CCCC1)c1ccc(CN2CCc3ccccc32)cc1 22514666 OXWPFKOVCNXUIL-UHFFFAOYSA-N 320.436 3.922 0 40 DHAB Cc1sc2nc(SCC(=O)C(C)(C)C)nc(N)c2c1C 24834025 QFSOPLZAORLMPS-UHFFFAOYSA-N 309.460 3.598 0 40 DHAB CC(C)c1nnc(NC(=O)c2cc3ccccc3cc2O)s1 24987650 HYBXZRNXDIUJOH-UHFFFAOYSA-N 313.382 3.773 0 40 DHAB CCc1n[nH]c(SCc2coc(-c3cccc(Cl)c3)n2)n1 26119174 VAFXDNSBNCQKES-UHFFFAOYSA-N 320.805 3.968 0 40 DHAB CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 27205724 LJHWMEFOWPATJQ-VQTJNVASSA-N 323.436 3.855 0 40 DHAB CC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 27339058 PBCJVKBWXJINTP-LLVKDONJSA-N 306.793 3.842 0 40 DHAB O=C(Nc1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 28539799 BCKXXCNGALNXLZ-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB C[C@@H](NC(=O)NC1CCC(C(F)(F)F)CC1)c1ccccn1 29732459 SQJZZYCWDXSSMG-VOMCLLRMSA-N 315.339 3.563 0 40 DHAB Cc1ccccc1CN[C@@H](c1ccc(F)cc1)c1nccn1C 30644429 XZUHNVZSBUFJNF-SFHVURJKSA-N 309.388 3.747 0 40 DHAB Cc1cccc(CS(=O)(=O)N[C@H](C)c2ccc(C)cc2C)c1 30758504 POELOEUWPBMZJO-MRXNPFEDSA-N 317.454 3.792 0 40 DHAB C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCCC1 36077116 BYWOVHMCLUFGFJ-INIZCTEOSA-N 308.425 3.568 0 40 DHAB Cc1cc(NCc2ccc3c(c2)OCCO3)c2ccccc2n1 40047093 USQVMMJROPSLSI-UHFFFAOYSA-N 306.365 3.927 0 40 DHAB CC(=O)c1cn(CCC(=O)Nc2cccc(C)n2)c2ccccc12 40283556 MVRVWPXDQBJTIA-UHFFFAOYSA-N 321.380 3.576 0 40 DHAB CSc1ccc(Cl)c(C(=O)NCCCOC(C)C)c1 40460025 XTAUKTPCNGSWFT-UHFFFAOYSA-N 301.839 3.607 0 40 DHAB Cc1nc(-c2cccc(Oc3ncnc4sccc34)c2)no1 40513618 LJYLPXFSTRQEKZ-UHFFFAOYSA-N 310.338 3.842 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)Nc1ccccc1S2 43827753 KKVFOHKAHYYVFI-UHFFFAOYSA-N 306.431 3.931 0 40 DHAB COC(=O)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1 45923165 RNIGVJCPVPVHRN-UHFFFAOYSA-N 301.342 3.818 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)NC2CC(C)(C)NC(C)(C)C2)C1(C)C 48311018 XOJFICJMISYQQV-GJZGRUSLSA-N 306.494 3.650 0 40 DHAB CCOC(=O)N(C)c1ccc(NC(=O)c2cccs2)cc1 54313156 MMAZFMGXGICJRH-UHFFFAOYSA-N 304.371 3.593 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccccc1F 55694049 GMNOGZNLLMNPFZ-OAHLLOKOSA-N 315.388 3.650 0 40 DHAB O[C@H](c1ccc(Br)cc1)c1cc(F)c(F)c(F)c1 63008373 SMQJBQUQPPWGDJ-CYBMUJFWSA-N 317.104 3.948 0 40 DHAB O=C([C@@H]1C[C@@H]1c1ccccc1Br)N1CCCCC1 69416818 NZTSFBQGQSVEHI-CHWSQXEVSA-N 308.219 3.565 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(NC2CC2)nc1 72213776 HRZDQWLEYXZRTR-AWEZNQCLSA-N 303.406 3.728 0 40 DHAB Cc1csc(Nc2nccnc2C2CCN(C(C)C)CC2)n1 72364886 SRLOJVYIOQDERH-UHFFFAOYSA-N 317.462 3.573 0 40 DHAB C[C@@H](CN[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 75572737 RAISYGIMJPZXCH-GHTZIAJQSA-N 308.469 3.697 0 40 DHAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc2ccccc2c1 76057846 BOUPWRCEYDKMBK-YWZLYKJASA-N 322.452 3.576 0 40 DHAB COc1ccc(-n2ncc3c2N=C(O)CS[C@@H]3C(C)C)cc1 85431225 GOCODKKIJRWLFO-OAHLLOKOSA-N 317.414 3.913 0 40 DHAB CCOCCC1(CNC(=O)c2sccc2C2CC2)CCC1 89986810 VZKFALBVGCZDDI-UHFFFAOYSA-N 307.459 3.952 0 40 DHAB Cc1cccc(N2CCC(N[C@H](C)Cc3ccsc3)CC2)n1 95422608 SMAOTQLODVHPAH-OAHLLOKOSA-N 315.486 3.641 0 40 DHAB CC(C)c1ocnc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 96410952 HJHZLLZHAYDWMO-CQSZACIVSA-N 302.349 3.914 0 40 DHAB C[C@H]1CCN(C)c2ccccc2N1C(=O)c1scnc1Cl 96425348 BHELMCUJNUEFKA-JTQLQIEISA-N 321.833 3.672 0 40 DHAB CC(C)(C)OC(=O)N1CCC(N)(Cc2ccc(Cl)cc2)CC1 98213811 AXMAMXSLJKFCDG-UHFFFAOYSA-N 324.852 3.611 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)N[C@H]1C[C@@H]2CC[C@@H]1C2 100742571 DAWKRZJWZRDNLA-BREBYQMCSA-N 314.212 3.677 0 40 DHAB N=C1c2ccccc2CN1CC(=O)C12CC3CC(CC(C3)C1)C2 102924461 KOAZNVRGZYTJSP-UHFFFAOYSA-N 308.425 3.613 0 40 DHAB O=C(c1ccc(-c2ccccc2F)o1)N1CCc2cnccc21 118638021 YLTOTBZNKJDXKW-UHFFFAOYSA-N 308.312 3.684 0 40 DHAB Cc1cccn2cc(-c3ccccc3NC(=O)c3ccno3)nc12 206901081 HXOCKDCEICGJEF-UHFFFAOYSA-N 318.336 3.550 0 40 DHAB Cc1cccc(OCC(=O)NCCSC2CCCCC2)c1 222752574 KNQPBXDYVWXGGU-UHFFFAOYSA-N 307.459 3.556 0 40 DHAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C 222813482 OSJMYMDJACHELM-KGLIPLIRSA-N 317.483 3.832 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCc1ccccc1 222943895 RHUKUDSWXCPBPO-GOSISDBHSA-N 311.425 3.820 0 40 DHAB CCNC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1 224380514 ACXCYFMBICRFII-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB COc1ccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225102580 CWELRCGWSTWOSB-GOSISDBHSA-N 314.381 3.695 0 40 DHAB Cc1ccc(N(C)C(=O)c2ccc3c(c2)nc(C)n3C)cc1C 225893241 QPWZOYIPCOHNAO-UHFFFAOYSA-N 307.397 3.775 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)N[C@H](C)Cc1cc2ccccc2o1 253472900 QKKCRGQOTNFQMX-CABCVRRESA-N 323.392 3.948 0 40 DHAB CN(C)[C@H](CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 575608591 ORLUAKQPPLQENK-GDBMZVCRSA-N 312.413 3.508 0 40 DHAB FC(F)(F)C1(c2ncc(Br)cc2Cl)N=N1 1504244719 BYMSYRLYBAGZAS-UHFFFAOYSA-N 300.465 3.678 0 40 DHAB O=C(O)c1cccc(-c2csc(=Nc3ccccc3F)[nH]2)c1 1857777456 SSUFECODNVILSX-UHFFFAOYSA-N 314.341 3.813 0 40 DHAB O=C(NC1c2ccccc2Oc2ccccc21)c1cccnc1 125958 XOQQRQBPQXHRFP-UHFFFAOYSA-N 302.333 3.707 0 40 DHAB COc1ccc(C(=O)c2ccc(Br)cc2)cc1C 245004 WASPSACMTYEINR-UHFFFAOYSA-N 305.171 3.997 0 40 DHAB CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 367317 TUUHQYVTEBZWRS-UHFFFAOYSA-N 311.385 3.709 0 40 DHAB Cc1cccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c1 385554 VSPZBJQYSAHLFL-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB Cc1ccn2c(NC[C@@H]3CCCO3)c(-c3ccc(O)cc3)nc2c1 417358 PCXNXHUYQZIPQR-INIZCTEOSA-N 323.396 3.606 0 40 DHAB CCOc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2ncnn21 523991 IVRXOQCOHPCQKZ-IRXDYDNUSA-N 320.396 3.823 0 40 DHAB CN1CCC(OC2c3ccccc3CCc3ccccc32)CC1 1482083 MNIZCABHARMLFF-UHFFFAOYSA-N 307.437 3.985 0 40 DHAB in-man O=C(c1ccc(CN2CCC2)cc1)c1ccc(Cl)c(F)c1 2514627 ILRURAFEHBVDEK-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 2774419 LPSYBSXWCLSWJC-JKSUJKDBSA-N 309.365 3.606 0 40 DHAB CC(C)CCN(CCC(C)C)C[C@H](O)COc1ccccc1 3311791 PLOJMSCLMUNNGN-SFHVURJKSA-N 307.478 3.821 0 40 DHAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 3603101 COXUHLZZGRHFOR-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB Cc1ccc(C)c(OCC(=O)NCCc2ccc(Cl)cc2)c1 3606585 GIUWNZDJRQMYBL-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1C 3606586 BJYLWVYHVMKHLR-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB Cc1cc(NC(=O)c2ccc(COc3ccccc3C)o2)no1 5059627 WIAAYYULURRQGN-UHFFFAOYSA-N 312.325 3.716 0 40 DHAB COc1ccccc1-n1cnnc1SCc1ccc(F)cc1 6082103 OKBXAWABTZWLAD-UHFFFAOYSA-N 315.373 3.707 0 40 DHAB CCOc1ccccc1NC(=O)COc1cccc2cccnc12 6127941 FDUKNKZYSQTDGJ-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB COc1cccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1 6325011 QNGQRKLOZZRQQN-RUCSPORFSA-N 318.442 3.784 0 40 DHAB CCc1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 7348343 CJAJAXORNSJPRC-UHFFFAOYSA-N 319.430 3.550 0 40 DHAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 8714183 BVGMPYZLCZIPRT-UHFFFAOYSA-N 324.380 3.686 0 40 DHAB COCCNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 9836288 YRIFYLADZQPIME-UHFFFAOYSA-N 314.168 3.630 0 40 DHAB O=C(NCC1(c2ccccc2)CCC1)c1cccnc1Cl 10221303 DIXIWTZDYFOYAX-UHFFFAOYSA-N 300.789 3.587 0 40 DHAB CCC(=O)N(Cc1ccco1)c1nc2cc(OC)ccc2s1 10528047 CJNLGWGJDUVGQQ-UHFFFAOYSA-N 316.382 3.841 0 40 DHAB CC(=O)N1c2ccc(-c3cn4cc(C)ccc4n3)cc2C[C@H]1C 12088207 OIBUCPMHYIRHPO-CYBMUJFWSA-N 305.381 3.607 0 40 DHAB Cc1cccc2sc(NC(=O)c3n[nH]c4ccccc34)nc12 12525313 YLNMURPJHIENDY-UHFFFAOYSA-N 308.366 3.733 0 40 DHAB CCCCc1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 12880946 JRVAHZWCDHWHCA-SFHVURJKSA-N 324.432 3.671 0 40 DHAB Sc1nnc(COc2ccc(Cl)cc2)n1C1CCCC1 12907711 QCNGBCVKIFYARP-UHFFFAOYSA-N 309.822 3.914 0 40 DHAB COc1cc(NC(=S)Nc2cc(C)ccc2F)cc(OC)c1 13840306 BIGGYXVSFCXHPP-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCCC3)o1 14554316 GQTXCGILNUALAE-MDZDMXLPSA-N 302.399 3.965 0 40 DHAB Cc1ccc(CN(C)[C@@H](C)C(=O)NC2CCCCC2)c(C)c1 15308782 MJUBEEPXICEILD-INIZCTEOSA-N 302.462 3.573 0 40 DHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(F)cc(F)c1 16101574 CGUJHWJSIZPGRN-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3[nH]cnc3c2)c1 17360975 VWUGGLNJPYKDEE-UHFFFAOYSA-N 309.369 3.818 0 40 DHAB COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)cc1 19927609 YUPYSKJNNWAEPR-HZMBPMFUSA-N 320.439 3.627 0 40 DHAB O=C(O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 21959333 VJNRPNVIOWGIMJ-UHFFFAOYSA-N 315.181 3.774 0 40 DHAB C[C@@H](C(=O)N[C@@H](c1ccccc1)C1CC1)n1cnc2ccccc21 30603599 MYYIVYQPSASZMM-LIRRHRJNSA-N 319.408 3.865 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(C)cc1 30871503 COVKERRJLQXERW-QGZVFWFLSA-N 321.417 3.705 0 40 DHAB CC[C@@H](CNC(=O)c1ccc2nccnc2c1)c1ccccc1 32722747 MLNODTSWYNXYSZ-AWEZNQCLSA-N 305.381 3.553 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)C[C@H]2C=CCC2)cc1OC 32830852 VZLCIFKCKHQSTB-KBPBESRZSA-N 303.402 3.627 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)c1ccccc1-n1cccn1 32932173 ZJMOXKKPJTVDSP-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(F)(F)F)C2)cc1 34872644 IFUGPBBKKTUWFO-OLZOCXBDSA-N 314.351 3.596 0 40 DHAB CSc1ccccc1C(=O)NCCOc1cccc(Cl)c1 36395511 FJADVPJMWXWJEH-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB CCc1ccccc1N1C(=O)C[C@H](Nc2c(C)cccc2C)C1=O 36635543 LLOPQURAICMJQX-INIZCTEOSA-N 322.408 3.610 0 40 DHAB COC(=O)c1cccc(NC(=O)CCc2ccccc2Cl)c1 36718833 NAADSGOICMTZAP-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 38754426 PLJZQGZFFYHFCR-MRXNPFEDSA-N 321.779 3.953 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 38833211 NFAMFWNPWBXNNM-GOSISDBHSA-N 308.425 3.846 0 40 DHAB Cc1cnc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cn1 40117331 REAYTZADLDUPRZ-QGZVFWFLSA-N 313.376 3.585 0 40 DHAB CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 40485604 NVUSPBZJFFOGEB-LJQANCHMSA-N 323.392 3.632 0 40 DHAB CCN(C(=O)c1nc(SC)ncc1Cl)c1ccccc1 40510495 ZAMUZBNDEWXLPX-UHFFFAOYSA-N 307.806 3.519 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 43552850 ASCSJVMFUOMHCF-UWVGGRQHSA-N 316.373 3.642 0 40 DHAB Cc1ncc(CN(C)Cc2nc3cc(Cl)ccc3n2C)s1 48313342 DLFJCJILQJZTAL-UHFFFAOYSA-N 320.849 3.624 0 40 DHAB C[C@@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)CCC2 53387934 CBWLUNXWZWBIQU-CYBMUJFWSA-N 313.372 3.571 0 40 DHAB O=C(NCc1cccs1)Nc1ccnn1C1CCCCC1 53919832 YFAUFTPCULCYIT-UHFFFAOYSA-N 304.419 3.772 0 40 DHAB CN(C[C@H]1CCCO1)C(=O)/C=C/c1c(Cl)cccc1Cl 58377929 MVIDGWYYKHBYPS-WSKFYRRCSA-N 314.212 3.644 0 40 DHAB C[C@@H](NC(=O)COc1cccc2cccnc12)c1ccc(F)cc1 61576476 AIILZUHZSFLZLJ-CYBMUJFWSA-N 324.355 3.630 0 40 DHAB Cc1occc1C(=O)N(C)c1ccc(Br)cc1F 65864152 AXGABVOEQONUHQ-UHFFFAOYSA-N 312.138 3.766 0 40 DHAB COc1nc(C)cc(C)c1CNc1ncccc1C(F)(F)F 66818992 WXFNYEOYLVMTRC-UHFFFAOYSA-N 311.307 3.733 0 40 DHAB CC(C)(C)OC(=O)N(c1ncccc1C1=NCCCC1)C1CC1 72215393 UHZWEYHYAOMYAB-UHFFFAOYSA-N 315.417 3.959 0 40 DHAB CC(C)[C@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1 72230448 LKUXLVWLDUUYHF-KRWDZBQOSA-N 309.475 3.883 0 40 DHAB CCOc1c(F)cccc1C(=O)N(CC)[C@H](C)c1cccnc1 74952604 GLAKFOFRFCVWRJ-CYBMUJFWSA-N 316.376 3.843 0 40 DHAB COc1ccc(CC(=O)N2CCC(c3cccs3)CC2)cc1 75157025 BXSRXMFUPJZMDQ-UHFFFAOYSA-N 315.438 3.705 0 40 DHAB O=C(c1ccccc1Nc1ccc(OC(F)F)cc1)N1CCC1 78481841 PDBWBOJOYRUWBN-UHFFFAOYSA-N 318.323 3.878 0 40 DHAB Cc1cccnc1[C@H](NC(=O)CCc1ccsc1)C(C)C 79358240 HSVCQJMDCSDNRI-MRXNPFEDSA-N 302.443 3.898 0 40 DHAB Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1cccnc1 84013701 ZJUUBXYLLZRSGB-UHFFFAOYSA-N 312.348 3.667 0 40 DHAB Cc1nc(CCN[C@@H](C)Cc2nc3ccccc3s2)cs1 95419973 LYOIPXMFFXROGK-NSHDSACASA-N 317.483 3.825 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@H]2Nc3ccc(Cl)cc3[C@@H]2C1 95635394 NUSSODRBWFEQDM-GXTWGEPZSA-N 308.809 3.859 0 40 DHAB CC(C)(C)OC(=O)Nc1nc(Cl)c(Br)cc1O 95643221 MZCWPLCBROEIBX-UHFFFAOYSA-N 323.574 3.550 0 40 DHAB FC(F)Cn1cc(NCc2sccc2Br)cn1 97378302 IMHLEJXKMVDUCF-UHFFFAOYSA-N 322.178 3.584 0 40 DHAB Cc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1Cl 100283522 SPIIDRMCTHYLNE-IRXDYDNUSA-N 321.804 3.709 0 40 DHAB Cc1csc(C2=C(O)CN(CCCc3ccccc3)C2=N)n1 102717351 OSONSVNPJQXPHB-UHFFFAOYSA-N 313.426 3.646 0 40 DHAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2Cl)CCC1 102739694 YRVNZQNMOGTGEV-CYBMUJFWSA-N 316.748 3.958 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)c2cccc(Cl)c2)c1 223975730 NYZZASYLSGZFTG-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CCc1ccc(CC(=O)N[C@H]2CCCc3cc(OC)ccc32)cc1 224456901 VFCLWEKIKKAGGY-FQEVSTJZSA-N 323.436 3.994 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1nccc(-c2cccs2)n1 225185938 HEGHRBFPBCSSAW-SNVBAGLBSA-N 306.460 3.680 0 40 DHAB O=C(Cc1cccc(Br)c1)NC1CCCCCC1 225614256 MHWDXSNMDCHBRJ-UHFFFAOYSA-N 310.235 3.831 0 40 DHAB CCOC(=O)c1ccc(NC(=S)NC(CC)CC)c(C)c1 225801381 AGGARHLESATQMA-UHFFFAOYSA-N 308.447 3.647 0 40 DHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cnc(OC)c(C)c1 225904873 SXBRPYNBOCKRRP-KRWDZBQOSA-N 308.422 3.569 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCC[C@@H](C)C1 226724081 JHQZQXQDMVUSSM-IKGGRYGDSA-N 305.462 3.672 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 240067795 SCHKXYRFWOUKFL-ACDHPSKBSA-N 323.521 3.842 0 40 DHAB Cc1cc(-c2ccc(/C=C\C(N)=O)o2)ccc1Br 352064356 LXVLFILMLMOKAY-DAXSKMNVSA-N 306.159 3.516 0 40 DHAB F[C@]1(c2nc(-c3ccccc3)no2)CCN(Cc2ccccc2)C1 1888930606 UKTFQKWSXQZVMF-LJQANCHMSA-N 323.371 3.807 0 40 DHAB COc1ccc(OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 201788 LSJKRVRGKCUGDL-LIRRHRJNSA-N 317.429 3.501 0 40 DHAB Cc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1 526716 IPRNHULSQSKJKQ-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB CC(C)C(=O)OCC(C)(C)[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 1600789 BKUWIJQGNMWGAU-DZGCQCFKSA-N 300.439 3.636 0 40 DHAB O=C1S[C@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1 2488725 UJSRQXOUNFONJB-ZDUSSCGKSA-N 318.785 3.978 0 40 DHAB CCOc1ccccc1OCCC(=O)Nc1cc(F)ccc1C 2622387 ZISKDEFRYDEDHB-UHFFFAOYSA-N 317.360 3.940 0 40 DHAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 2715810 MDBWMLINTMVOQV-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H]2CCCC[C@H]2C1 3276754 XJDMALUZDHQWRU-STQMWFEESA-N 313.850 3.541 0 40 DHAB O=C(/C=C/c1ccc(OC(F)F)cc1)NCC1CCCCC1 3352565 FQSSEVLLSBONOT-DHZHZOJOSA-N 309.356 3.998 0 40 DHAB CCN(CC)C(=O)c1ccccc1CC(=O)c1ccccc1C 3847981 XZVSQMXGCLHJRK-UHFFFAOYSA-N 309.409 3.902 0 40 DHAB biogenic N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(F)cc1 4141659 QFOKLDUQQCNZDL-UHFFFAOYSA-N 316.719 3.957 0 40 DHAB Cc1ccc(-c2nc(COC(=O)c3ccccn3)cs2)cc1 5060433 FYHVXYRIWGQPGI-UHFFFAOYSA-N 310.378 3.871 0 40 DHAB Cn1cc(NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 5265848 SZYNCQJGKHOZPM-UHFFFAOYSA-N 323.352 3.594 0 40 DHAB CCC(=O)Nc1ccc(C(=O)COc2cccc(Cl)c2)cc1 5869087 VSSBIDMLNHFPSN-UHFFFAOYSA-N 317.772 3.950 0 40 DHAB S=c1[nH]nc(-c2ccccc2)n1NC/C=C/c1ccccc1 7601815 CZUMEYDYEPJOME-JXMROGBWSA-N 308.410 3.865 0 40 DHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1C 7670361 ZWYXMGZSNIDYEI-AWEZNQCLSA-N 302.399 3.544 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccccc2)c1 8062590 OFVDPLOIUVZGJY-TZIYXEQSSA-N 311.381 3.594 0 40 DHAB Cc1cc(C)c2c(C)c(C(=O)NCc3ccco3)sc2n1 9221146 FOZCYSFGGSMPTO-UHFFFAOYSA-N 300.383 3.745 0 40 DHAB C[C@@H](N1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 9225241 ZHJVEZUFXRDFLB-JSFDKUKPSA-N 309.409 3.888 0 40 DHAB CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@H]1c1ccccc1 9355707 DUJCEKYLAUZIPQ-KRWDZBQOSA-N 320.396 3.926 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3nc(N)nc3N2)cc1 12469288 ZVZGXJRCSKRLIN-IRXDYDNUSA-N 319.412 3.623 0 40 DHAB aggregator CCCCC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 12540945 DQPFJVZMZGWBSY-AWEZNQCLSA-N 305.447 3.664 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1 12564474 CGVNJQHJUYVFKX-CYBMUJFWSA-N 310.397 3.623 0 40 DHAB CCN(C(=O)c1cccc(OC)c1)c1nc2ccccc2s1 12686838 BZPPAPMMLYYMFK-UHFFFAOYSA-N 312.394 3.972 0 40 DHAB COc1c2cccc(C)c2c(C=O)c2c(COC(C)=O)coc12 13299903 OMGQCYHSAPWXMS-UHFFFAOYSA-N 312.321 3.779 0 40 DHAB biogenic,in-vitro COc1ccc(CNc2ncnc3c2[nH]c2ccccc23)cc1 13635571 QRKWRYCXEZAQJQ-UHFFFAOYSA-N 304.353 3.732 0 40 DHAB COc1ccccc1CNC(=S)Nc1ccccc1Cl 13815024 XVSGWBCUVOUKMK-UHFFFAOYSA-N 306.818 3.835 0 40 DHAB Cn1nc2c(c1NC(=O)c1cc(Cl)sc1Cl)CCC2 16848310 VVRQTXQJFPWIEE-UHFFFAOYSA-N 316.213 3.529 0 40 DHAB CCCCSc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 17946011 AVOYJRKSQUCXIX-ZIAGYGMSSA-N 307.459 3.828 0 40 DHAB COc1cc(OC)cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 18233952 PCAKWNKGVJVSQJ-GFCCVEGCSA-N 317.360 3.676 0 40 DHAB O=C(OCc1cnn(-c2ccccc2)c1)c1c[nH]c2ccccc12 22132872 GRIIVXQJYJMLKB-UHFFFAOYSA-N 317.348 3.711 0 40 DHAB O=C(Nc1ccccc1N1CCCC1)c1ccc(F)c(F)c1 23294679 PYTPZKIIFAFTJB-UHFFFAOYSA-N 302.324 3.817 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CCC(=O)c2ccc(C)s2)o1 23305775 DKBKWIGLAJRTJG-GFCCVEGCSA-N 305.399 3.798 0 40 DHAB COc1cc(C(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1C 28881947 PNGZEROVDAQUQZ-LBPRGKRZSA-N 311.381 3.604 0 40 DHAB O=C(CCc1ccc(Cl)cc1Cl)NCc1cccnc1 30522689 BTVUITUESQTLNJ-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB CCC(=O)Nc1ccc([C@H](C)NCc2cccc(OC)c2)cc1 30640283 MVZIDGWFXCROOY-AWEZNQCLSA-N 312.413 3.895 0 40 DHAB CCOC(=O)c1c(COCc2ccccc2C)cccc1OC 35973488 NGCKEYRYKGRTSG-UHFFFAOYSA-N 314.381 3.897 0 40 DHAB O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@@H]1c1ccco1 36393641 CJVAYZIZQGEZTB-QGZVFWFLSA-N 317.348 3.666 0 40 DHAB CON(C)C(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 39995465 NRZRRGVHDRONQB-UHFFFAOYSA-N 322.364 3.950 0 40 DHAB C[C@H](CCc1ccco1)NC(=O)N[C@H](C)c1cccc(F)c1 40067895 VROKXFAUNDPBGI-CHWSQXEVSA-N 304.365 3.800 0 40 DHAB COc1cc(C(=O)Nc2ccc(-c3cnco3)cc2)ccc1C 40146380 YTHJZBGFBUTZRU-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)N1CCCc2ccccc21 44904256 PCVKKLSLTIOXHY-HNNXBMFYSA-N 309.409 3.996 0 40 DHAB CC(C)(C)OCc1cccc(CNC(=O)NCc2ccco2)c1 69415487 XHGOCBKDNGUNNX-UHFFFAOYSA-N 316.401 3.594 0 40 DHAB CC(C)c1noc(-c2ccc(NC(=O)c3ccccn3)cc2)n1 69653574 JWNNSRBYGWOXAM-UHFFFAOYSA-N 308.341 3.507 0 40 DHAB Cc1noc(C)c1CNc1cc(F)ccc1OC[C@H]1CCCO1 69653767 JNOIKWGQKPDHGR-CQSZACIVSA-N 320.364 3.600 0 40 DHAB Cn1c([C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)nc2ccccc21 71839180 KSPUAIWBYFDURB-YOEHRIQHSA-N 309.413 3.593 0 40 DHAB CCN(CC)C(=O)CN(C)[C@H](C)c1ccc(Cl)cc1Cl 71854418 CFXHAUVAKBLVCL-LLVKDONJSA-N 317.260 3.855 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2)cn1 72214660 FUONWCFLGWFPBC-AWEZNQCLSA-N 305.422 3.658 0 40 DHAB COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C(C)C)no1 72788531 CQKNHGNHHORXHV-HNNXBMFYSA-N 314.385 3.784 0 40 DHAB C[C@H](S[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N(C)C 77398932 DLTNIZMZGCHTJJ-ZJUUUORDSA-N 305.365 3.976 0 40 DHAB Cc1cnc(C(C)(C)NC(=O)Nc2nc(C3CC3)cs2)s1 79778883 HFGOMNWQSWUROQ-UHFFFAOYSA-N 322.459 3.842 0 40 DHAB Nc1cccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1 89262396 KQTXJOHGOFAOMQ-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1C 96286879 LHZSJDWDIASMTQ-UHFFFAOYSA-N 314.410 3.894 0 40 DHAB COC[C@H](NC(=O)Nc1ccc(SC)c(F)c1)c1ccco1 96446015 YEILKDRGBAPMPL-LBPRGKRZSA-N 324.377 3.650 0 40 DHAB Cc1c(CN[C@H](c2ccccc2)c2ccc(F)cc2)cnn1C 96476372 QYNDBVLHQMIRPO-LJQANCHMSA-N 309.388 3.747 0 40 DHAB COCCC1(C(=O)N2C[C@H](c3ccsc3)C[C@@H]2C)CCC1 97015021 XMFKNXIZECNSLS-DZGCQCFKSA-N 307.459 3.659 0 40 DHAB O=c1[nH]c2c(s1)[C@@H](c1ccco1)[C@@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 102001013 PGOHYRVPWXTGJJ-LXTGRIHNSA-N 305.424 3.682 0 40 DHAB C1CCC(C2OCC3(CO2)COC(C2CCCCC2)OC3)CC1 116270606 FKGIEEDPUQWCAC-UHFFFAOYSA-N 324.461 3.879 0 40 DHAB Cc1ccccc1OCC(=O)NCc1ccc2ccccc2c1 222745917 PVUQAKQTZCLJOC-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB COC(=O)c1cccn1-c1ccc(Br)cc1Cl 223731012 WOMAFUVHJCNZQL-UHFFFAOYSA-N 314.566 3.680 0 40 DHAB CC[C@@H](C)CCOC(=O)c1snnc1-c1ccc(F)cc1 223841904 ONSSUHKXJVSLAH-SNVBAGLBSA-N 308.378 3.937 0 40 DHAB Cc1cccc(NC(=S)NCCSC2CCCCC2)n1 225359377 MQACFELUEREEEG-UHFFFAOYSA-N 309.504 3.742 0 40 DHAB Cc1cc(C)c(C(=O)NCCCN2CCCCCC2)cc1C 225644990 FWNBEBBACJHCAQ-UHFFFAOYSA-N 302.462 3.608 0 40 DHAB O=C(Nc1ccc(F)cc1F)c1snnc1-c1cccs1 225788576 MZIIJYPSAJTKAN-UHFFFAOYSA-N 323.349 3.797 0 40 DHAB CCc1nnc2sc(C(c3ccccc3)c3ccccc3)nn12 226293613 NINOJIADDVWTAK-UHFFFAOYSA-N 320.421 3.928 0 40 DHAB Cc1ccc(C(=O)Nc2c(C)cc(N)cc2Br)cc1 226763050 HEYQYMDBDYUJFX-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB CN(C[C@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)C1CCCCC1 253478948 NYKSCGZFZQRKJK-CAIZAGQASA-N 323.521 3.843 0 40 DHAB O=C(c1ccccc1Cl)N1CCC[C@@H](Cc2nccs2)C1 928281438 XKPWFUVUWRQQSY-LBPRGKRZSA-N 320.845 3.891 0 40 DHAB COc1ccc(Nc2ncnc3sc(C)cc23)c(OC)c1 224063 DWASSOBXVDRSLR-UHFFFAOYSA-N 301.371 3.761 0 40 DHAB S=C(NCCC1=CCCCC1)Nc1ccc2nccnc2c1 871664 WJNUAQFRLAMRBT-UHFFFAOYSA-N 312.442 3.807 0 40 DHAB COc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 1518596 HDFDOMLAJISFQF-UHFFFAOYSA-N 302.330 3.696 0 40 DHAB COc1ccc2c(c1)C[C@H]1c3[nH]c4ccccc4c3CCN1C2 1644724 CJFJXYGEGHXRNB-IBGZPJMESA-N 304.393 3.832 0 40 DHAB NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1N 2564242 FTJRBQATMNGCJQ-UHFFFAOYSA-N 319.336 3.582 0 40 DHAB CCCn1c(C)cc(C(=O)COc2ncnc3ccccc23)c1C 2642955 OPLOBUMQODAYMS-UHFFFAOYSA-N 323.396 3.720 0 40 DHAB O=[N+]([O-])/C(Br)=C\Nc1ccc(Cl)cc1Cl 3128184 DOUZCXRGEVCWJK-YWEYNIOJSA-N 311.950 3.876 0 40 DHAB CCOP(=O)(C[C@@H](C)P(=O)(OCC)OCC)OCC 3157140 HJGBGITVOMBUNF-LLVKDONJSA-N 316.271 3.907 0 40 DHAB CCOc1ccc2oc(C(=O)n3nnc4ccccc43)c(C)c2c1 3371857 GRVUGYCTTSFKND-UHFFFAOYSA-N 321.336 3.573 0 40 DHAB COc1cc(C(=O)NCc2ccc(C)cc2)ccc1OC(F)F 3554341 IHAKVQNFXWLVSJ-UHFFFAOYSA-N 321.323 3.535 0 40 DHAB CCc1ccc(-c2n[nH]c(SC[C@H]3CCCCO3)n2)cc1 5178614 YGOLPYSSHGVPDU-CQSZACIVSA-N 303.431 3.695 0 40 DHAB O=C1C(=O)N(Cc2cccc(Cl)c2)c2ccc(Cl)cc21 6662878 CSQFKOBJARWUSZ-UHFFFAOYSA-N 306.148 3.723 0 40 DHAB O=C(Cc1csc(-c2ccccc2)n1)NCc1ccccc1 6786636 NFXGLXWABVNYMP-UHFFFAOYSA-N 308.406 3.669 0 40 DHAB O=C(NC1CCCC1)c1cccc(NC(=O)c2cccs2)c1 7134298 LIYSHQGIBKYBGS-UHFFFAOYSA-N 314.410 3.673 0 40 DHAB COc1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1 7549210 HUMIIRBECZSULS-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB COc1ccc([C@H](C)NC(=O)Nc2cccc(OC)c2)cc1 8221431 QRRXNHZLOUHJFT-LBPRGKRZSA-N 300.358 3.587 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1F 8259539 LQEGUEVLNTZDGD-UHFFFAOYSA-N 315.344 3.546 0 40 DHAB CCCN(CC1CC1)C[C@H](O)COc1ccccc1C(C)C 8473367 ULMYJICTIPPAJK-KRWDZBQOSA-N 305.462 3.672 0 40 DHAB Nc1cc(C(=O)OCc2nc3ccccc3s2)ccc1Cl 8538762 WGBNMIXDGNJAJO-UHFFFAOYSA-N 318.785 3.889 0 40 DHAB COc1cc(C)ccc1OCC(=O)Nc1cc(Cl)ccc1F 9458104 JNOABOLSDVNRKM-UHFFFAOYSA-N 323.751 3.814 0 40 DHAB CCn1/c(=N\C(=O)c2ccccc2F)sc2cc(F)ccc21 12180895 JERQSASHLGFCMN-KNTRCKAVSA-N 318.348 3.742 0 40 DHAB CC[C@@H](NC(=O)CCn1nc(C)c(C)c1C)c1ccc(F)cc1 12199687 HXQQHHKAOGTTFI-QGZVFWFLSA-N 317.408 3.605 0 40 DHAB Cc1cccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)c1 12475501 LSPXEVNTMGHFJJ-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB Cc1cccc(-c2noc(CNC(=S)Nc3ccccc3)n2)c1 12654206 WKFHVUZGQOZMOZ-UHFFFAOYSA-N 324.409 3.532 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2O)cc1Cl 12735541 ZCJLZDDVGSRONY-UHFFFAOYSA-N 318.760 3.565 0 40 DHAB Cc1cccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)c1 13131389 LVWREOUVEGWRIV-IAGOWNOFSA-N 308.360 3.872 0 40 DHAB aggregator Cc1ccc2nc(CNc3ccc(Cl)cc3C)cc(=O)n2c1 15290349 ITKUHIVREXTXOO-UHFFFAOYSA-N 313.788 3.577 0 40 DHAB O=C(Nc1ccc(Br)cc1)c1cc(F)cc(F)c1 16027794 JBUSYJRTKZEYCJ-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3ccccc3c2)C1 16091667 VQDCMAQZEHDHCB-OKILXGFUSA-N 303.427 3.506 0 40 DHAB COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1F 18114008 ABESKRSKGNBEBM-UHFFFAOYSA-N 303.377 3.533 0 40 DHAB CN(C)c1ncc(CN2CCCC[C@H]2CCc2ccccc2)cn1 19585527 XLYXVIUTSXOFJR-IBGZPJMESA-N 324.472 3.530 0 40 DHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccco1 22512323 XQIAERZHOIFSNV-QGZVFWFLSA-N 309.365 3.907 0 40 DHAB COc1ccc(S[C@H](C)C(=O)N2CCCCCC2)cc1OC 22525754 GJWOSRDOJVEUGH-CYBMUJFWSA-N 323.458 3.587 0 40 DHAB Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C)C2CC2)cc1 25771224 YOWBWWPIPLGDPD-GFCCVEGCSA-N 314.454 3.884 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)c1ccccc1 29629600 XOJQMBRDTPPXRV-IBGZPJMESA-N 320.392 3.614 0 40 DHAB Cc1nc(SCC(=O)NC2CCCCCC2)n(C2CC2)c1C 32894092 WGXMMURZTGFROK-UHFFFAOYSA-N 321.490 3.766 0 40 DHAB Cc1ccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c(F)c1 32915750 IAWCLFVUGLBRNP-UHFFFAOYSA-N 301.317 3.807 0 40 DHAB COc1ccc(Oc2ccc(-c3cccc(C(=O)O)c3)nn2)cc1 32918458 IEPNPDNMSUMQRC-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB C[C@@H](Cc1cccs1)NC(=O)c1cc(-c2ccccc2)on1 33205401 INNQVVOEAYJNBV-LBPRGKRZSA-N 312.394 3.764 0 40 DHAB COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1N 36269752 BSVOTWLTVAXQCV-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccs1 40108473 NWZVUVKYSFMLPD-SNVBAGLBSA-N 324.243 3.872 0 40 DHAB CCc1nc(NC(=O)COc2ccccc2Cl)sc1C 40118979 RTPMFSNKMVPXLE-UHFFFAOYSA-N 310.806 3.685 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)NC2CCCCCC2)c1 44106528 GCGDCHQKUGFYDB-UHFFFAOYSA-N 303.406 3.879 0 40 DHAB CC(C)CSc1nnc(CN2CCCC2)n1-c1ccccc1 45965426 OOGWMWYGVRMFRK-UHFFFAOYSA-N 316.474 3.611 0 40 DHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccnc1S 47275371 ZLTQISYCSVNSDB-CYBMUJFWSA-N 316.426 3.715 0 40 DHAB O=C(Cc1ccccc1F)Nc1ccc(Oc2ncccn2)cc1 48202625 DPZMGZHLIOJCTA-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)C(C)C 48256463 XUNBKYOZHBZVLG-ZDUSSCGKSA-N 305.422 3.756 0 40 DHAB CN(Cc1ccc2ccccc2c1)C(=O)c1cccnc1S 48312332 WJZUKUTZIBFCRH-UHFFFAOYSA-N 308.406 3.796 0 40 DHAB CCc1ccsc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 48807505 ZXDHFTXUKVPTMZ-UHFFFAOYSA-N 309.774 3.914 0 40 DHAB COc1ccc([C@@H]2CCCN2Cc2nnc(SC)s2)cc1 65474620 OJDWVDRVGDSHFR-ZDUSSCGKSA-N 321.471 3.606 0 40 DHAB COc1ccc(CC[C@H]2CCCCN2C(=O)C(C)C)cc1OC 69538888 NYPPQWUZQONGCG-MRXNPFEDSA-N 319.445 3.674 0 40 DHAB CCCNC(=O)CSCc1csc(-c2ccsc2)n1 71855380 LJWOCZUOGXTXSS-UHFFFAOYSA-N 312.485 3.631 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)sc1C 72297528 YJHJQDGSTGJIEP-CQSZACIVSA-N 318.417 3.919 0 40 DHAB Cc1cc([C@@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)n[nH]1 78902457 GWIQZGRIQKPCJF-IAGOWNOFSA-N 323.440 3.544 0 40 DHAB Cn1ccc2ccc(C(=O)Nc3cccc4ncccc34)cc21 79489513 UIBCHSKRFOHJFV-UHFFFAOYSA-N 301.349 3.979 0 40 DHAB C[C@H](Cc1ccsc1)NCCc1cc(F)cc2c1OCOC2 95421848 OJIAIZNLXJXFOR-GFCCVEGCSA-N 321.417 3.517 0 40 DHAB CC(C)c1cc(N(C)Cc2csc(-c3ccco3)n2)n[nH]1 95961368 VCIIFWOKBNAMAK-UHFFFAOYSA-N 302.403 3.886 0 40 DHAB COc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223249694 LXCUTDSAKIARGO-HNNXBMFYSA-N 323.436 3.912 0 40 DHAB COC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225336753 KJIXSSCSMJWPLL-UHFFFAOYSA-N 310.378 3.588 0 40 DHAB CCOC(=O)c1cc(N)ccc1Nc1ccc(OCC)cc1 225479489 KERQAJSLOMBESH-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)nc1 225904457 PALMLCQYENNSTP-KRWDZBQOSA-N 308.422 3.650 0 40 DHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccs3)S2)cc1 408779578 YXMMAVXGNJWAIX-DNXIFWLFSA-N 316.451 3.910 0 40 DHAB Fc1ccc(-c2cnc(CN3CC[C@@H](c4cccnc4)C3)o2)cc1 515379875 YRYCEYRGMUAIBH-MRXNPFEDSA-N 323.371 3.865 0 40 DHAB C[C@@H]1c2c(F)cccc2CCN1c1ccc(C(F)(F)F)nn1 545205810 NNUFDECOYBVURZ-SECBINFHSA-N 311.282 3.758 0 40 DHAB CC(C)(C)OC(=O)n1c(C2(C(=O)O)CC2)cc2ccccc21 575628967 HDIYWMYTCOWBAH-UHFFFAOYSA-N 301.342 3.541 0 40 DHAB O=C(NCCCc1cccc(Cl)c1)c1cccc2[nH]ncc12 581743587 CFNSCRNIOJDQQH-UHFFFAOYSA-N 313.788 3.579 0 40 DHAB CCOC(=O)CCc1c[nH]c2cc(C)c(Br)cc12 1857793066 AQSQJBGCHZJHLW-UHFFFAOYSA-N 310.191 3.735 0 40 DHAB O=C(CNC1CCCCC1)Nc1cccc(C(F)(F)F)c1 411756 BUVPXRLLVYZSRD-UHFFFAOYSA-N 300.324 3.566 0 40 DHAB CCOc1nc(-c2cccc(OC)c2)ccc1-c1noc(C)n1 498683 ZAMWVRWLRXNNFO-UHFFFAOYSA-N 311.341 3.514 0 40 DHAB COC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 508067 ADAULKIDUFESOZ-UHFFFAOYSA-N 304.733 3.771 0 40 DHAB O=C(OCCN1CCCC1)[C@@H](c1ccccc1)[C@@H]1C=CCCC1 1712581 WBSQBCKCXJYLSQ-MOPGFXCFSA-N 313.441 3.766 0 40 DHAB Cc1ccc(N[P@](C)(=O)c2nc3c(s2)CCCC3)cc1 3174751 QDNCSFTXOWZNGX-LJQANCHMSA-N 306.371 3.976 0 40 DHAB O=C(Cc1c(Cl)cccc1Cl)NCc1ccccc1F 3330488 DUSQLHSVHYHRHQ-UHFFFAOYSA-N 312.171 3.991 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c(C)c1 3424888 MOZPXXXZYJUTKE-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1nc2ccccc2cc1OCC(=O)N(C)c1ccccc1 4054203 MKSDRRYESIMZIP-UHFFFAOYSA-N 306.365 3.585 0 40 DHAB CN[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4061453 LXUIGQVHABEBDW-HTZJVTINSA-N 305.506 3.978 0 40 DHAB biogenic O=C(CCC1CCCC1)N1C(=O)OC[C@H]1Cc1ccccc1 4254121 WWXZRKUEKAWUDO-MRXNPFEDSA-N 301.386 3.547 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H](CC(=O)O)Cc2ccccc2)c1 4425741 LJSSAUPUMWBCOY-MRXNPFEDSA-N 311.381 3.576 0 40 DHAB Cc1ccc(C(=O)Nc2cccc3nsnc23)c(Cl)c1 4488698 AWJAOMDJDQXNCK-UHFFFAOYSA-N 303.774 3.905 0 40 DHAB Cc1nnsc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4584549 WFTCEKNHRIWQQV-UHFFFAOYSA-N 321.711 3.771 0 40 DHAB Cn1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)n1 5298230 VSZOOFNRUVDCAG-UHFFFAOYSA-N 315.417 3.515 0 40 DHAB COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1Cl 6647076 YCTIPFOLNSIUEK-UHFFFAOYSA-N 313.744 3.544 0 40 DHAB Cc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1 6789015 MGDQLBKSJRVVDZ-UHFFFAOYSA-N 312.394 3.760 0 40 DHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1F 7408994 XEBGRBBYJHUTJV-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1 8267753 FYFVMLPYTYOCIF-ZIAGYGMSSA-N 306.837 3.791 0 40 DHAB O=C(c1nc(Cl)ccc1Cl)N1CCCc2ccccc21 9050752 KGAFCIPZBDMGJL-UHFFFAOYSA-N 307.180 3.981 0 40 DHAB c1ccc(-n2nc(SCc3ccccn3)nc2C2CC2)cc1 9368469 IPYKTAVXRNABLB-UHFFFAOYSA-N 308.410 3.832 0 40 DHAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc(F)c(F)c1 12235380 YWBGSZNSJRPLOY-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB COc1cc(NC(=S)Nc2cc(F)ccc2C)cc(OC)c1 13840451 CCZGCCHISVMICZ-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 14796174 HTDFNXLSMGFNDW-SZGUKTLCSA-N 322.408 3.867 0 40 DHAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCCC3)cc2)C1 22529317 HUIISOZCQIZWFG-MRXNPFEDSA-N 300.446 3.545 0 40 DHAB COc1cccc(CN(C)C(=O)c2ccc(Cl)cc2)c1OC 23057868 IJZAPIRFHAOVSJ-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB O=C(Nc1nc(-c2ccccc2Cl)cs1)C1CCOCC1 24638004 FEDJNKUDRYGCFA-UHFFFAOYSA-N 322.817 3.829 0 40 DHAB CC(=O)Nc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 25314490 VNQDYZWJGHBPJC-UHFFFAOYSA-N 317.776 3.620 0 40 DHAB CN(CC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCc2ccccc21 29489216 FDAZFGLYWARFLG-QGZVFWFLSA-N 316.351 3.523 0 40 DHAB O=C(NCCc1ccc(F)cc1)c1sccc1-n1cccc1 32895684 XIUZRKTXVUPODE-UHFFFAOYSA-N 314.385 3.650 0 40 DHAB Fc1ccccc1CN(CCCn1ccnc1)Cc1ccoc1 36740363 RBUROPPODRUGQK-UHFFFAOYSA-N 313.376 3.708 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 38833274 NAHDNFBEBFXOEC-SFHVURJKSA-N 308.425 3.846 0 40 DHAB c1ccc(C[C@@H]2CCCN2Cc2nc(-c3ccco3)no2)cc1 44088508 RQKNZQRLWLKFDZ-HNNXBMFYSA-N 309.369 3.537 0 40 DHAB Cc1csc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1 44098697 LMUVYIQPUUMSDB-UHFFFAOYSA-N 319.430 3.583 0 40 DHAB N[C@@H](CC(=O)O)c1ccc(-c2ccc(Cl)cc2Cl)o1 44216541 FJWMZWXCCYEGIP-JTQLQIEISA-N 300.141 3.728 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1cccc3cccnc13)SCC(O)=N2 44900895 WRLHQALAFHAIHE-OAHLLOKOSA-N 310.382 3.691 0 40 DHAB C[C@@H](c1cc(F)ccc1F)N(C)Cc1nnsc1Cl 44975935 HLEHYWHIZDSIGD-ZETCQYMHSA-N 303.765 3.663 0 40 DHAB CCCC(C)(C)NC(=O)Cc1nc(-c2ccccc2)oc1C 50497909 MYMSJIBDJCAVKP-UHFFFAOYSA-N 300.402 3.887 0 40 DHAB CC(C)(C)OC(=O)NC1([C@@H]2CCN(Cc3ccccc3)C2)CC1 59718799 OIVBJMGOXYKNEF-MRXNPFEDSA-N 316.445 3.566 0 40 DHAB CC(C)(C)c1ncc(C(=O)Nc2nnc(C(C)(C)C)s2)s1 67495633 GNDDEYLOTWHWDD-UHFFFAOYSA-N 324.475 3.842 0 40 DHAB CC(C)(C)N1CCC(N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 69381996 CALJSIWKZMXBSZ-GXTWGEPZSA-N 306.416 3.960 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)c2cccc3c2ccn3C)cc1 69386442 XZQIRKYSJGQESB-UHFFFAOYSA-N 321.380 3.779 0 40 DHAB O=C(c1ccsc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 71910100 UXPFDTCDSPCDLG-UHFFFAOYSA-N 317.254 3.705 0 40 DHAB O=c1c(Cl)c(NCC2CCC2)cnn1-c1ccc(Cl)cc1 71952782 HNKYZPRHCRVRGO-UHFFFAOYSA-N 324.211 3.751 0 40 DHAB CCN(C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72212744 KTZMMAIZIMWGLK-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)c2cccnc2C)n1 72273433 IZODECPIOVJYCC-CQSZACIVSA-N 301.415 3.522 0 40 DHAB CCOc1cc(CNC(=O)c2ccccc2Cl)ccc1OC 72331440 BWXQZUBPNYUTPE-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1[C@@H](C)c1cccnc1 75605181 VVDFTDQEXFYOQX-JSGCOSHPSA-N 304.825 3.675 0 40 DHAB CSCCc1ccc(NCc2ccc([S@@](C)=O)cc2)cc1 89493748 ZOHULBIWYGMJDE-NRFANRHFSA-N 319.495 3.942 0 40 DHAB Cc1csc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 95413241 PDCDDWPMQCJPNE-CABCVRRESA-N 320.458 3.913 0 40 DHAB Cc1oc2nc(CNC3(c4ccccc4)CCC3)nc(N)c2c1C 95426428 CINHTAWWZCSULH-UHFFFAOYSA-N 322.412 3.591 0 40 DHAB Cc1noc([C@H](NCc2ncc(-c3ccccc3)o2)C(C)C)n1 95987494 BCNYTBPNWYNKDO-MRXNPFEDSA-N 312.373 3.520 0 40 DHAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC1CCN(C(=O)C(C)(C)C)CC1 96012959 NAODRTDKUWYMRL-NJAFHUGGSA-N 320.521 3.924 0 40 DHAB CC(=O)c1csc(C(=O)N2CCSC3(CCCCC3)C2)c1 96456610 ABCGIWRZFBOOCJ-UHFFFAOYSA-N 323.483 3.843 0 40 DHAB COC(=O)c1cc(Cl)c2cc(C)cc(Br)c2n1 103921560 GPOKEYGWZYJGGL-UHFFFAOYSA-N 314.566 3.746 0 40 DHAB COc1ccccc1CN(C)C(=O)Cc1ccc(Cl)cc1F 223543814 FTGDOQIUGJOGHU-UHFFFAOYSA-N 321.779 3.689 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 224207134 ZPPLFXSFRMOTFZ-BCXHYRKLSA-N 313.441 3.638 0 40 DHAB CCCOC(=O)c1cc(N)ccc1Nc1ccccc1OC 225477530 PPQSECLFHIVTCP-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB CCOc1ccc(C)cc1NC(=S)NC(=O)c1ccccc1 585655889 CPIWNCHOGDPGOV-UHFFFAOYSA-N 314.410 3.521 0 40 DHAB CCCc1cc(O)nc(/C(=C/c2ccc(C(=O)O)s2)CC)n1 630951006 SSUJBFYVQCUWHA-CSKARUKUSA-N 318.398 3.845 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1cnccc1C(F)(F)F 77401 NPVJXBVTXRFRPN-UHFFFAOYSA-N 314.694 3.684 0 40 DHAB COc1ccc(C(=O)CSc2nc3ccccc3[nH]2)c(F)c1 389394 VTWYGZKGODCKMM-UHFFFAOYSA-N 316.357 3.686 0 40 DHAB Cc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 422537 FCVOOHWZVXGVPH-UHFFFAOYSA-N 309.394 3.551 0 40 DHAB Cc1ccccc1CSc1nnc(C2CCCCC2)n1N 532963 VXODQJAWBGDARH-UHFFFAOYSA-N 302.447 3.640 0 40 DHAB CCN(CC)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 568268 CESFICKXMILQEF-UHFFFAOYSA-N 300.377 3.920 0 40 DHAB CCCC(=O)Nc1cnc(NC(=O)c2ccccc2F)cc1C 1352753 XEJIAOJIZXNJNV-UHFFFAOYSA-N 315.348 3.520 0 40 DHAB CCSC(NC(=O)Nc1ccc(OC)cc1)SCC 1390996 HEZNANUPUHNPNU-UHFFFAOYSA-N 300.449 3.607 0 40 DHAB CC[C@H](c1ccc(OC)cc1)c1cc2c(cc1OC)OCO2 1582286 FHWHXGJTDMCZOZ-CQSZACIVSA-N 300.354 3.974 0 40 DHAB Cc1nc2ccc(NC(=O)CC(=O)c3ccccc3)cc2s1 3151841 REMCTJOOSGZYFO-UHFFFAOYSA-N 310.378 3.816 0 40 DHAB O=C(O)/C=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 3316925 SBVOFXWCULDIMN-YVGDHZEHSA-N 314.181 3.656 0 40 DHAB CC(=O)c1ccccc1OCCCOc1ccccc1C(C)=O 3388045 IQCOCIZLSWUWIO-UHFFFAOYSA-N 312.365 3.940 0 40 DHAB CN(C)C1(CNC(=O)Cc2cccc3ccccc23)CCCCC1 3411410 GAWMESYCCRVEOK-UHFFFAOYSA-N 324.468 3.763 0 40 DHAB C[C@H](NC(=O)c1ccccc1NC(=O)C1CCC1)c1ccccc1 3533414 LMEONVPYROQNEV-AWEZNQCLSA-N 322.408 3.916 0 40 DHAB Cc1ccc(CNC(=O)c2cccc(Br)c2)cc1 3554477 FZUVXOIYFKNCOH-UHFFFAOYSA-N 304.187 3.688 0 40 DHAB COc1ccc(NC(=O)CSCc2ccccc2)c(OC)c1 3606754 HIHUNFJDCJYHMG-UHFFFAOYSA-N 317.410 3.576 0 40 DHAB CC(C)(C)CC(=O)NCCc1csc(-c2ccccc2)n1 4251658 VAWAVYUKQVQZQX-UHFFFAOYSA-N 302.443 3.905 0 40 DHAB Cc1ccn2cc(C(=O)OCc3nc4ccccc4s3)nc2c1 5271312 KPKFGKVCHSGLIN-UHFFFAOYSA-N 323.377 3.609 0 40 DHAB O=C(Nc1nonc1-c1ccc(Cl)cc1)c1cccs1 5451147 LTYHJNGJHACJMU-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB CC[C@@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccccc3)=NN12 5529600 MIYYOWVPCDXHJW-WMZOPIPTSA-N 308.381 3.975 0 40 DHAB CCc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 6433852 IMOBBMPLFPNVSR-LJQANCHMSA-N 309.409 3.822 0 40 DHAB Cc1cccc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C 6614426 SLDUJUCHWMIMEG-UHFFFAOYSA-N 310.397 3.624 0 40 DHAB O=C(Nc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 7975324 IPZRYQOZIOVRHZ-UHFFFAOYSA-N 323.396 3.569 0 40 DHAB COCc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 8727371 FMNMYIFHGLGNLH-UHFFFAOYSA-N 307.296 3.687 0 40 DHAB CCc1nnc(NC(=O)c2ccc(-c3ccccc3)nc2C)s1 8751622 BDUPBBJAWFKUHJ-UHFFFAOYSA-N 324.409 3.723 0 40 DHAB COc1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1 8985211 XLCIPQUXEUBAMC-UHFFFAOYSA-N 321.808 3.762 0 40 DHAB CC(C)CN1C(=O)CCc2cc(NC(=O)CC(C)(C)C)ccc21 9137705 QBMSNJLRAMTART-UHFFFAOYSA-N 316.445 3.997 0 40 DHAB CCCOc1c(Cl)cc(C(=O)Nc2ccncc2)cc1OC 9322531 IGBXASNJLLMTAM-UHFFFAOYSA-N 320.776 3.785 0 40 DHAB Cc1cc(COC(=O)c2cc3cc(Cl)ccc3nc2C)no1 10468785 XBZDJRNIIJQESX-UHFFFAOYSA-N 316.744 3.850 0 40 DHAB CCc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 10717321 HHZWNAHSLHDZAY-UHFFFAOYSA-N 312.394 3.896 0 40 DHAB Cc1cc(C)c(OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(C)c1 12564663 QFLRWKNWLGUDDG-IAOVAPTHSA-N 303.446 3.932 0 40 DHAB C[C@H](Nc1nc2ccccc2s1)C(=O)NC1CCCCCC1 12757264 UHVGTPZCXONBBF-LBPRGKRZSA-N 317.458 3.936 0 40 DHAB C[C@@H]1CCc2c(sc3ncnc(NCC[C@H]4CCCO4)c23)C1 12878108 UMCCFAUDHUYWTE-VXGBXAGGSA-N 317.458 3.797 0 40 DHAB Cc1cccc(NC(=O)NCCOc2ccc(Cl)cc2)c1 12941231 YOEVKHAIWOUHAE-UHFFFAOYSA-N 304.777 3.849 0 40 DHAB C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 13790794 MNMCTUKIYBUPTC-GFCCVEGCSA-N 314.410 3.505 0 40 DHAB COc1ccc([C@H](C)NC(=S)Nc2cccc(OC)c2)cc1 13932641 OOPYZOBQCQZAQA-LBPRGKRZSA-N 316.426 3.751 0 40 DHAB COc1ccccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 15198931 BRQWGNPNHHAMNF-AWEZNQCLSA-N 317.385 3.801 0 40 DHAB Cc1cc(C)cc(OCCOC(=O)c2ccc(Cl)nc2)c1 16694878 BQFMIEKAJFHDJK-UHFFFAOYSA-N 305.761 3.588 0 40 DHAB CCC(=O)N1CCCc2cc(NC(=O)c3ccccc3C)ccc21 17248094 IBRKXBBPDBKRIK-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(N)c1 19736046 WMEZPZJMTYXKIX-ZDUSSCGKSA-N 312.413 3.972 0 40 DHAB CCCOc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736518 YUWHMXDEJMEYRI-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB Brc1ccccc1CN1CCN(C2CCCC2)CC1 19889652 CISTZZYZKHXSBM-UHFFFAOYSA-N 323.278 3.509 0 40 DHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cccs1 22088135 PKDGFESYICYYFJ-UHFFFAOYSA-N 309.394 3.675 0 40 DHAB O=C(NCCc1ccccc1)c1ccc(COc2ccccc2)o1 23654966 WQNIEGBJOYDSCS-UHFFFAOYSA-N 321.376 3.831 0 40 DHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccnc2)cc1 24392182 YUNXRTHXXDYYKU-SFHVURJKSA-N 310.397 3.848 0 40 DHAB CCOC(=O)c1c(NC(=O)N2CCCCCC2)sc(C)c1C 24562020 UWNRBDMGVVWGTD-UHFFFAOYSA-N 324.446 3.950 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 27385897 YKDSAYREGPCZEG-AWEZNQCLSA-N 324.355 3.987 0 40 DHAB Cc1ccc(OC[C@H](O)CN2C(C)(C)CCCC2(C)C)cc1 27666037 PKYYEHCFPBUZQR-MRXNPFEDSA-N 305.462 3.778 0 40 DHAB COc1cccc(NC(=O)Cn2ccc3cc(Cl)ccc32)c1 32103299 BPQBPVKRSMROSK-UHFFFAOYSA-N 314.772 3.942 0 40 DHAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1cccs1 32204511 MTHCJTTUNNPQQJ-OAHLLOKOSA-N 324.405 3.567 0 40 DHAB CCN(CC)C(=O)c1ccc(COc2cc(C)ccc2C)o1 32610981 PSWMDYQTHWFGJU-UHFFFAOYSA-N 301.386 3.957 0 40 DHAB O=C(NCc1ccco1)c1cc2occc2n1Cc1ccccc1 35474936 FLCZSFNGEOZECY-UHFFFAOYSA-N 320.348 3.806 0 40 DHAB Cc1sc(-c2ccco2)nc1-c1ccc2c(c1)NC(=O)CO2 40040699 AHQBJOBBVYKLNX-UHFFFAOYSA-N 312.350 3.709 0 40 DHAB Cc1ccc(CN[C@@H](c2ccccc2)c2nccn2C)cc1C 42203590 FKZVUPFQMGLCQM-IBGZPJMESA-N 305.425 3.916 0 40 DHAB Cc1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 44140375 HMTMGBVSHNOJNC-IYBDPMFKSA-N 319.518 3.649 0 40 DHAB Cc1cn2nc(Nc3cc(Cl)c(N)c(Cl)c3)sc2n1 48545745 ZMYQGJIQNAERGI-UHFFFAOYSA-N 314.201 3.732 0 40 DHAB Fc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)nc1 49155343 URHQAEZOCXQOPY-INIZCTEOSA-N 324.359 3.608 0 40 DHAB biogenic,in-vitro COCc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)c(C)oc12 57312212 MEDMKPSZYOVVDF-UHFFFAOYSA-N 314.312 3.760 0 40 DHAB COC(=O)c1cccc(OCc2cccc(Br)c2)c1 57475646 SYMOVRNNDZEYIT-UHFFFAOYSA-N 321.170 3.815 0 40 DHAB CC(C)Cn1ccnc1NC(=O)c1cccc(C(F)(F)F)c1 58115465 UQJKVYGXUFXXIB-UHFFFAOYSA-N 311.307 3.810 0 40 DHAB C[C@@H](Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)N1CCCC1 58404725 FONNFZFDVMXSSI-GFCCVEGCSA-N 315.417 3.548 0 40 DHAB CCCOc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 59307274 AWACZSPJUUQGCF-UHFFFAOYSA-N 320.392 3.954 0 40 DHAB CCCc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1 60044747 FZTAXYPIZMGGRY-UHFFFAOYSA-N 324.468 3.891 0 40 DHAB Clc1ncnc2c(Br)cc(Br)cc12 60726118 PUGXZUHUYQNRIF-UHFFFAOYSA-N 322.387 3.808 0 40 DHAB CCN(CC)c1ccc(C(=O)Nc2ccc3ccccc3n2)cn1 65530637 QVBNTZAZETZHDJ-UHFFFAOYSA-N 320.396 3.728 0 40 DHAB O[C@@H](CNc1nc2ccccc2o1)c1ccccc1C(F)(F)F 68998395 OSBFSJQBGKZLIJ-ZDUSSCGKSA-N 322.286 3.992 0 40 DHAB Cc1cc(N)c2oc(-c3cncc(Br)c3)nc2c1 70461438 GYSWDXJLHYVSSA-UHFFFAOYSA-N 304.147 3.543 0 40 DHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@H]2c2ccc[nH]2)s1 71827906 ZXEBBXXEGPQGRZ-LBPRGKRZSA-N 303.431 3.746 0 40 DHAB Cc1cc(NC(=O)[C@H](C)SCc2ccccc2Cl)no1 71877681 AKFNNLCHBWFIFF-JTQLQIEISA-N 310.806 3.897 0 40 DHAB CCCCN(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 71909596 FKOXABOQFPSMAR-JOCHJYFZSA-N 324.490 3.998 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 72214811 SMFZVSCHKJXFML-CQSZACIVSA-N 305.422 3.658 0 40 DHAB CSC[C@H](C)N(C)CC(=O)Nc1ccc(C(C)(C)C)cc1 72290429 PJDFEXPZRKBGED-ZDUSSCGKSA-N 308.491 3.606 0 40 DHAB CCCOc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c1 75104490 YZIXVMBPKBUQIP-FUHWJXTLSA-N 319.445 3.656 0 40 DHAB C[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](C)Cc1cccs1 76088238 BEEKKKVSADWIBL-KGLIPLIRSA-N 317.458 3.724 0 40 DHAB CN(Cc1cccc(N(C)C)c1)Cc1cccc2cccnc12 83855368 DFPPRQNKNVZAAX-UHFFFAOYSA-N 305.425 3.933 0 40 DHAB CC(C)N(C(=O)c1c(F)cc(Br)cc1F)C(C)C 87241417 XXNXPEMBYNDODU-UHFFFAOYSA-N 320.177 3.986 0 40 DHAB CC(C)Cc1cnc(NC(=O)N(C)[C@@H](C)c2cccnc2)s1 95416194 LOIYJJAUMHCXOG-LBPRGKRZSA-N 318.446 3.962 0 40 DHAB O=C(CSc1cccs1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 95430468 FLVQJTJZHSBULD-IAOVAPTHSA-N 315.463 3.685 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)C1(c2ccccc2)CCCC1 95949185 CHQCJVHBZYUMJM-UHFFFAOYSA-N 312.413 3.762 0 40 DHAB c1ccc(N[C@@H]2CCCN(c3cc(OCC4CC4)ccn3)C2)cc1 96006395 KIISDFLMTOUXHE-GOSISDBHSA-N 323.440 3.951 0 40 DHAB Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1 96305702 BYILCTHZYLPAOS-UHFFFAOYSA-N 314.410 3.705 0 40 DHAB COc1cccc([C@@H](CNC(=O)Nc2ccccc2C)OC)c1 96390629 VUPYQDBVTPUFGA-QGZVFWFLSA-N 314.385 3.513 0 40 DHAB O=C(c1cccnc1)N1CCSc2ccc(C(F)(F)F)cc21 96467433 UPUMKLIOAPNERS-UHFFFAOYSA-N 324.327 3.853 0 40 DHAB C[C@H](CCn1cncn1)NCc1ccc(Oc2ccccc2)cc1 97012294 HXCANJCBUOZXQR-MRXNPFEDSA-N 322.412 3.639 0 40 DHAB COc1ccccc1-c1nnc(CN[C@H]2CCCCC2(C)C)o1 97099910 MLPHRDIDRQXACK-HNNXBMFYSA-N 315.417 3.804 0 40 DHAB O=C1[C@H](Sc2nncc3ccccc23)CCN1c1ccccc1 97141654 LKHXSCFGTUZEJU-MRXNPFEDSA-N 321.405 3.527 0 40 DHAB CC(C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 198475279 UMWROWTUUJTCFU-UHFFFAOYSA-N 306.793 3.700 0 40 DHAB CC(C)(C)c1ccccc1OCCNC(=O)c1cccs1 223669415 HWVFMHWQSPJBCM-UHFFFAOYSA-N 303.427 3.854 0 40 DHAB CCCCOCc1cc(C(=O)N[C@@H](C)CC)ccc1OCC 224723589 ZPSJBIXAMLFUCR-AWEZNQCLSA-N 307.434 3.930 0 40 DHAB Cc1ccccc1C(=O)N1CCS/C1=C/c1c(C)noc1C 225248565 GLARFCLBIMYUSU-MHWRWJLKSA-N 314.410 3.787 0 40 DHAB Cc1ccccc1NC(=O)c1cnc(Cc2ccccc2)nc1C 225792823 WLBLCYAWPNFBRC-UHFFFAOYSA-N 317.392 3.937 0 40 DHAB CC(C)C[C@@H](C(=O)NCCn1ccc2ccccc21)n1cccc1 575443229 MLZSXLUHAZEXSK-IBGZPJMESA-N 323.440 3.846 0 40 DHAB FC(F)(F)c1cnc(N2CC(c3ccccn3)C2)c(Cl)c1 585132768 UGEJEJCEMOBMRN-UHFFFAOYSA-N 313.710 3.753 0 40 DHAB Cc1ccc(S(=O)(=O)NCC(C)(C)c2ccsc2)cc1C 1565523401 MYRQBZQVQOKTBN-UHFFFAOYSA-N 323.483 3.621 0 40 DHAB Cc1[nH]c2ccccc2c1/C=C1/N=C(c2ccccc2)OC1=O 126640 OUQDIQVOSCQVEU-GZTJUZNOSA-N 302.333 3.821 0 40 DHAB COc1ccc(Nc2nc(C(=O)N3CCCCC3)cs2)cc1 819407 OXSKUCYQGIWRFK-UHFFFAOYSA-N 317.414 3.521 0 40 DHAB COc1ccc(N[C@@H]2OC(=O)c3ccccc32)c2ncccc12 2342868 DRZKGKBMHXVUTL-QGZVFWFLSA-N 306.321 3.525 0 40 DHAB O=C(OCc1cc(Cl)ccc1OC(F)F)c1ccco1 3223137 WQFQMSIGTFJBNT-UHFFFAOYSA-N 302.660 3.891 0 40 DHAB CC(C)[C@]12CC[C@](C)(O1)[C@H](Oc1cccc(Cl)c1CN)C2 4110222 XDWGFIVVEJQCFN-IXDOHACOSA-N 309.837 3.914 0 40 DHAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)[C@H]1CCCO1 4173272 UDPMCFFEIVFKLF-CYBMUJFWSA-N 322.817 3.505 0 40 DHAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccco1 4249026 SVKJCMFCHXOBLC-UHFFFAOYSA-N 309.350 3.908 0 40 DHAB CCn1c(SCc2cccc(C)c2)nc2c(c1=O)SCC2 4339360 WNOXWGCSLCANBC-UHFFFAOYSA-N 318.467 3.512 0 40 DHAB CCCCNc1ncnc2c1cnn2-c1cc(Cl)ccc1C 4354768 ILRQUCORZZUXCV-UHFFFAOYSA-N 315.808 3.989 0 40 DHAB COc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 5249198 UCBMXQVYXBQSSM-UHFFFAOYSA-N 321.829 3.871 0 40 DHAB COc1ccc(OC)c(NC(=O)c2ccc(OC(F)F)cc2)c1 6395850 JSHYCGOOQGLESJ-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB COc1cccc(CSCC(=O)Nc2ccc(C)cc2)c1 8328170 DOFVWZRCUBYFKC-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB c1ccc(COc2cccc3ccc(N4CCOCC4)nc23)cc1 8769638 NCEVQJPQWIHHFJ-UHFFFAOYSA-N 320.392 3.650 0 40 DHAB C[C@H]1CN(C=O)c2ccccc2N(CCC2CCCCC2)C1=O 8809973 JBSQWVPNBWXXDQ-HNNXBMFYSA-N 314.429 3.603 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(F)c1 11636874 QQYJYFXKIWEXPQ-MRXNPFEDSA-N 303.333 3.630 0 40 DHAB COc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)C(=O)O3 12222657 PDJBKHXOUGWNOX-UHFFFAOYSA-N 320.348 3.758 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCc1ccc(C)c(F)c1 12486297 MAQHCFSDLSININ-UHFFFAOYSA-N 307.752 3.726 0 40 DHAB Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1 12532825 GGUVYIRLJNXEEV-UHFFFAOYSA-N 323.421 3.773 0 40 DHAB CCOc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12605900 QOXGVSYJWKTFND-SFHVURJKSA-N 310.397 3.517 0 40 DHAB Cc1ccc2cc(CNCc3ccc(F)cc3)c(=O)[nH]c2c1C 12706409 YAFGJHIZBBJLTA-UHFFFAOYSA-N 310.372 3.574 0 40 DHAB c1ccc(-n2cc(CCNc3nc4ccccc4o3)cn2)cc1 12763248 GCTFICAFSNOIGS-UHFFFAOYSA-N 304.353 3.668 0 40 DHAB C[C@@H](OC(=O)c1ccoc1)C(=O)C12CC3CC(CC(C3)C1)C2 12768470 BTIODYJBOIEYBV-HDPALTEOSA-N 302.370 3.610 0 40 DHAB CC(=O)Nc1ccc(OCc2cc(-c3ccccc3)on2)cc1 12871303 SAELDFQVPASAIR-UHFFFAOYSA-N 308.337 3.879 0 40 DHAB Cc1ccc([C@H]2C[C@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 13131359 SKZUFMZSQVXPKH-IAGOWNOFSA-N 319.412 3.623 0 40 DHAB aggregator C[C@H]1CCCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl 13135395 SZXXXOBSIGXURT-WCQYABFASA-N 318.244 3.608 0 40 DHAB Cc1cc(NC(=O)c2cccc(F)c2)n(Cc2ccccc2)n1 13701307 CVAOQZINHBXKGC-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1C 14020151 XOUSRFZJZMVSSM-UHFFFAOYSA-N 312.394 3.600 0 40 DHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1 15330630 ZTEXIMVPBYABRW-LLVKDONJSA-N 307.752 3.563 0 40 DHAB CN(Cc1ccccc1I)c1ccccc1 16124464 WNBSAKPFBOQMFX-UHFFFAOYSA-N 323.177 3.928 0 40 DHAB Cc1ccc(C[C@](C)(O)C[C@](C)(O)Cc2ccc(C)cc2)cc1 16954190 FLVGBGPUWNPAGH-OYRHEFFESA-N 312.453 3.981 0 40 DHAB c1csc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 19343389 PMLQNIZCWSWBAX-NSHDSACASA-N 317.439 3.849 0 40 DHAB c1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 19371885 CODPRKHDWDWSGH-UHFFFAOYSA-N 320.396 3.511 0 40 DHAB c1cc(-c2nnc(NC3CC3)nc2-c2ccsc2)cs1 19406616 GBWNMMWHNMAUMU-UHFFFAOYSA-N 300.412 3.903 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 20486666 LHZJSTMJVHBDGX-QGZVFWFLSA-N 305.393 3.990 0 40 DHAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)NC1CC1 20733136 DSWWZWTVTZIGNI-UHFFFAOYSA-N 304.393 3.977 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2F)cc1 21820223 OZEUJSHUMSLYQH-UHFFFAOYSA-N 308.374 3.891 0 40 DHAB Cc1c(C(=O)OCc2noc(-c3ccco3)n2)oc2ccccc12 23906241 FUTUTJNGARSGNM-UHFFFAOYSA-N 324.292 3.741 0 40 DHAB C[C@@H](c1ccccc1)N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O 26474592 GCTAARMPVICEKH-ZFWWWQNUSA-N 305.381 3.640 0 40 DHAB CN(Cc1cccc(Cl)c1)Cc1nc(-c2ccco2)no1 29973985 PFSCBHTWSOXCCG-UHFFFAOYSA-N 303.749 3.615 0 40 DHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(-n2cnc3ccccc32)nc1 40069941 ZEWJUXNRMUEMNP-CQSZACIVSA-N 318.380 3.715 0 40 DHAB C[C@H]1CCCN([C@@H](C)CNC(=O)Nc2ccccc2Cl)C1 40095587 NUMRBBIMQWTPNK-STQMWFEESA-N 309.841 3.582 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Cc1ccccc1Cl 40108327 HUDGYLGSJKDWFL-CZUORRHYSA-N 309.837 3.594 0 40 DHAB CCOc1cccc(/C=C2\N=C(c3ccc(C)s3)OC2=O)c1 48310764 PNXMODURBZMATB-UVTDQMKNSA-N 313.378 3.800 0 40 DHAB Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccncc2)C1 55211430 DMCCRKSFCVCRFI-OAHLLOKOSA-N 300.427 3.546 0 40 DHAB COc1ccc(N(C)C(=O)c2cc3ccc(C)cc3[nH]2)cc1OC 58228038 WEEOFWDFVQSYAF-UHFFFAOYSA-N 324.380 3.770 0 40 DHAB Cc1[nH]ncc1C(=O)N(C)Cc1ccc(-c2ccccc2)cc1 63749404 VPXLFZLIRMJOPK-UHFFFAOYSA-N 305.381 3.657 0 40 DHAB Cc1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2cccc(O)c2)s1 69462174 GBZQOENPULBXHF-GJZGRUSLSA-N 301.411 3.524 0 40 DHAB O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cnccn1 69632704 USIOXGUHWPJFFY-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 72212991 GRUINCSPJZAZSC-QGZVFWFLSA-N 303.450 3.778 0 40 DHAB CCn1ncc2c1CCC[C@@H]2NCc1ccc(OC)c(Cl)c1 72298497 WANCGBNQFXOJNV-HNNXBMFYSA-N 319.836 3.732 0 40 DHAB CC(C)(C)CN1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 72375163 YUSGQHZGPXAEIZ-OAHLLOKOSA-N 311.433 3.798 0 40 DHAB C[C@H](c1ccccn1)N(C(=O)c1ncoc1-c1ccco1)C1CC1 74502146 QQMFENXWOMHLLN-GFCCVEGCSA-N 323.352 3.695 0 40 DHAB CCOc1ccc(NC(=O)c2c(C)c3ccccc3oc2=O)cc1 75105312 RWDIAEOUBQCJBK-UHFFFAOYSA-N 323.348 3.752 0 40 DHAB Cc1nc(C(C)(C)NC(=O)CCc2ccsc2)sc1C 76478473 CKXRMTGPQBHDOY-UHFFFAOYSA-N 308.472 3.806 0 40 DHAB C[C@@H](O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 90733610 HLFBHJAUZWXFOY-GOSISDBHSA-N 317.432 3.949 0 40 DHAB O=C(C[C@@H](O)c1ccccc1)N[C@H]1CCc2c(Cl)cccc21 91172540 GHWUJDMZUVXOAH-DLBZAZTESA-N 315.800 3.567 0 40 DHAB O=C(NCc1ccccc1)c1cccc(NCc2cncs2)c1 95447461 JXQPSCCIVBMVMS-UHFFFAOYSA-N 323.421 3.685 0 40 DHAB CSc1ccccc1NC(=O)NCC1([C@H](C)CCO)CCC1 95463318 PTQWHRSQFFOOOT-CYBMUJFWSA-N 322.474 3.719 0 40 DHAB O=C(Nc1cccc(F)c1)c1ccnn1-c1ccc2ccccn12 96155225 TVJWPWZKWOMWEV-UHFFFAOYSA-N 320.327 3.516 0 40 DHAB O=C(c1ccc(-c2ccco2)o1)N1CCN(c2ccccc2)CC1 96183684 GHGGRTLKXZLWMK-UHFFFAOYSA-N 322.364 3.502 0 40 DHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCCn2ccnc2)o1 96433201 UQSKYLBHNJUIFC-GDBMZVCRSA-N 315.417 3.565 0 40 DHAB CNC(=O)Cc1nc(CS[C@H](C)c2ccc(F)cc2)cs1 96450938 BCWFKQQDFAFANX-SNVBAGLBSA-N 324.446 3.565 0 40 DHAB CCCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 96636208 LFBMWVWSAFAQIQ-UHFFFAOYSA-N 301.361 3.587 0 40 DHAB CC[C@H](c1ccc(F)cc1F)[S@](=O)Cc1nccn1CC 97013135 UCXHXUMXYDAAPF-SZNDQCEHSA-N 312.385 3.581 0 40 DHAB CN(C(=O)C1CC1)c1ccccc1-c1nc(C2CCCC2)no1 193166703 BHIMVIIQTKJMAB-UHFFFAOYSA-N 311.385 3.767 0 40 DHAB CC(=O)NC1CCC(N[C@@H]2C[C@@H]3CCCc4cccc2c43)CC1 195565175 QCSOGBZFFMJRGN-BOMAWHNGSA-N 312.457 3.588 0 40 DHAB CO[C@H](CC(=O)O)c1ccc(OCc2ccccc2C)cc1 217806808 HFCSZEWWLRLMHS-QGZVFWFLSA-N 300.354 3.736 0 40 DHAB CCOc1ccc(C(N)=O)cc1COc1ccccc1C(C)C 224561738 YHXFTBUBVUBXEE-UHFFFAOYSA-N 313.397 3.887 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c(C)c1 224606572 JHTUKECZZFREQT-OAHLLOKOSA-N 315.388 3.569 0 40 DHAB COc1cc(NC(=O)CC(C)C)ccc1-c1ccc(C(=O)O)o1 226352678 JTGZSDJQUXFTLD-UHFFFAOYSA-N 317.341 3.638 0 40 DHAB CC1=Nc2c(C)cccc2[C@@H](OCC(=O)NCc2ccccc2)C1 227148504 YKXJZNHXPAMCGZ-SFHVURJKSA-N 322.408 3.865 0 40 DHAB Cc1ncsc1CN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 245713900 GMCYEATUEFVRED-XHDPSFHLSA-N 306.406 3.553 0 40 DHAB O=C(O)c1cc2cc(NC(=O)C3CCC(F)(F)CC3)ccc2o1 263295509 SGAHKTXIMILRLF-UHFFFAOYSA-N 323.295 3.895 0 40 DHAB O=C1CCc2cc(Oc3ccnc(-c4ccccc4)n3)ccc2N1 511426964 DSSJEYOULBLPGJ-UHFFFAOYSA-N 317.348 3.821 0 40 DHAB O=C([C@H](c1cccnc1)C1CCCCC1)N1CCCSCC1 585140225 AJNGESJMWGHLHE-KRWDZBQOSA-N 318.486 3.711 0 40 DHAB O=C(NCC[C@H]1CCc2ccccc21)c1ccc(F)c(F)c1F 1583999429 DLSOXWXWNWQVLL-GFCCVEGCSA-N 319.326 3.954 0 40 DHAB COc1ccc(-c2nnc3c4cc(OC)ccc4[nH]cc2-3)cc1 1888977238 RJGSPWBXDWINIK-UHFFFAOYSA-N 305.337 3.747 0 40 DHAB COC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 64027 BXEQUIFBNCFLKF-NYYWCZLTSA-N 315.756 3.779 0 40 DHAB biogenic Nc1nc2ccc(Cc3ccc4nc(N)sc4c3)cc2s1 333237 UGBRCVPNANACCI-UHFFFAOYSA-N 312.423 3.661 0 40 DHAB COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 563060 LEOYZRNNIYIELD-GFCCVEGCSA-N 315.394 3.593 0 40 DHAB CSc1nc(Cl)c2nc(SC)n(-c3ccccc3)c2n1 1661460 GKWAUVRKLHLVGN-UHFFFAOYSA-N 322.846 3.913 0 40 DHAB Cc1sc2[nH]c(=S)n(CCc3ccccc3)c(=O)c2c1C 5695741 NNZBHNICQNUCFF-UHFFFAOYSA-N 316.451 3.980 0 40 DHAB O=S(=O)(NCC1CCCCC1)c1ccc2ccccc2c1 5778466 UKKKNRSWKLDOHL-UHFFFAOYSA-N 303.427 3.698 0 40 DHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(C)=O)ccc21 6977505 KQGHNIRRNWKTOS-GFCCVEGCSA-N 324.380 3.705 0 40 DHAB Cc1ccc(OCc2cc(-c3cccs3)on2)c([N+](=O)[O-])n1 7370854 LVQBDQAEPYWBSW-UHFFFAOYSA-N 317.326 3.594 0 40 DHAB CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)cc1 7792576 IJIHSPKPJPMIPX-GOSISDBHSA-N 313.397 3.650 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C 8049764 FURLHQOJIOZSCK-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB CCOC(=O)c1cc(CC)sc1NC(=O)/C=C/c1ccco1 8314074 VNJLNBKHIQHRRM-BQYQJAHWSA-N 319.382 3.732 0 40 DHAB O=C(NCCOc1ccccc1)c1ccc(C(F)(F)F)cc1 8394695 HYYZESAGROWJFR-UHFFFAOYSA-N 309.287 3.514 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(SC)cc2)cc1OC 8803075 XUUGDRJVGLETQL-UHFFFAOYSA-N 317.410 3.607 0 40 DHAB CCCCc1c(O)nc(-c2ccc(Br)cc2)oc1=O 9349850 HYGCKUFSLFZVNI-UHFFFAOYSA-N 324.174 3.513 0 40 DHAB COc1cc(SC)ccc1C(=O)N[C@H]1CCc2ccccc21 10960294 YCSURZGNERGAQW-INIZCTEOSA-N 313.422 3.834 0 40 DHAB O=c1[nH]c2ccccc2n1CCCSc1ccccc1F 11435522 XWQGUXSLJDODPT-UHFFFAOYSA-N 302.374 3.651 0 40 DHAB O=C(OCc1cc(-c2ccc(F)cc2)on1)c1cccs1 11613666 CQQMUPISLNIISI-UHFFFAOYSA-N 303.314 3.899 0 40 DHAB C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1cc2ccccc2o1 12591890 XLCKLBFPISGFLA-ZDUSSCGKSA-N 308.381 3.990 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CSc2ccccc2C)c1 12807078 FVAKVUCPAQTHAX-UHFFFAOYSA-N 314.410 3.684 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1C 12932630 JKNJGPJYUPUMGC-UHFFFAOYSA-N 321.376 3.899 0 40 DHAB Cc1cc(C)cc(C(=O)NCCc2ccc3c(c2)CCCN3C)c1 13006671 NPDFSLZJPCKIGE-UHFFFAOYSA-N 322.452 3.658 0 40 DHAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 13809966 KHBKTDJNVWPIOM-CYGHRXIMSA-N 307.393 3.643 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CNCc3ccc(C)cc3)cc2c1 13998773 CXAUDYCWZXGJLQ-UHFFFAOYSA-N 322.408 3.525 0 40 DHAB CC(C)[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 15550252 DWWAMDAYFHIACP-VQTJNVASSA-N 322.452 3.993 0 40 DHAB COc1ccc(-c2nc(C)c(C(=O)NC3CCCC3)s2)cc1 15634163 XAUPIDMBFWAGNT-UHFFFAOYSA-N 316.426 3.800 0 40 DHAB COc1ccc(NC(=O)N(C2=NCCC2)c2ccccc2)cc1 16689862 LLDJUMUDRDFTMC-UHFFFAOYSA-N 309.369 3.926 0 40 DHAB CN(C)CCN(Cc1cccs1)Cc1cc(F)ccc1F 19582672 NOQUHGZGYSSXLX-UHFFFAOYSA-N 310.413 3.590 0 40 DHAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2cc(N)ccc2F)cc1 19736634 CIIDOMZFWAGHKH-GFCCVEGCSA-N 316.376 3.937 0 40 DHAB CC(C)COc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 20142046 QNNJQTMOFZWGMI-UHFFFAOYSA-N 313.353 3.672 0 40 DHAB Cc1cc(C)cc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c1 22236231 WHNDNIVMTVAWKK-UHFFFAOYSA-N 324.355 3.547 0 40 DHAB O=C(Cc1noc2ccccc12)N1CCC[C@@H]1c1ccccc1 22551720 QQLAZYOGEJOYCP-QGZVFWFLSA-N 306.365 3.734 0 40 DHAB COc1ccc(OC)c([C@@H](C)Nc2ncnc3ccsc23)c1 28624898 CUBMLXHEXQNPRB-SNVBAGLBSA-N 315.398 3.882 0 40 DHAB COc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F 32907735 KOCMYDRBEGAQPC-QWRGUYRKSA-N 319.298 3.685 0 40 DHAB COc1cccc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c1 32915511 GKLZHPRWOCXCCQ-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB Cc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)c(C)c1 33145359 CMQLZSVATAGEKV-UHFFFAOYSA-N 315.417 3.945 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN(C(C)C)C(C)C 35052950 FVWVHROWEIKEIH-NCXUSEDFSA-N 313.526 3.944 0 40 DHAB O=C(CCc1cccs1)Nc1ccccc1Cn1cccn1 36390718 HHSCVINUNFMNEZ-UHFFFAOYSA-N 311.410 3.564 0 40 DHAB CC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@H](C(C)=C[C@H]1C)[C@H]2C 38549692 LANFJOBBEPUSIU-ACJWMLNOSA-N 315.413 3.551 0 40 DHAB CC(=O)Nc1ccc2nc(NC(=O)C[C@@H]3C=CCC3)sc2c1 40040477 BDIYVMVBIYELSV-LLVKDONJSA-N 315.398 3.550 0 40 DHAB CCCNC(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21 40300719 CWKKJKAESMVCRK-OUKQBFOZSA-N 319.408 3.733 0 40 DHAB CC(C)c1ccc(OCC2CCNCC2)c(Br)c1 42774721 NFAFEXSQKSOORH-UHFFFAOYSA-N 312.251 3.951 0 40 DHAB COCCn1cnnc1SCc1ccc(C(C)(C)C)cc1 43463842 VIXAAXPNIYHUQU-UHFFFAOYSA-N 305.447 3.514 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(=O)C2CC2)c1 44103346 UEDRZWHMLQNGIU-LRDDRELGSA-N 315.417 3.735 0 40 DHAB CCCCCCNC(=O)Nc1cccc(Cn2cccn2)c1 44266946 VUZATFHNNPDFFK-UHFFFAOYSA-N 300.406 3.633 0 40 DHAB CCn1c(-c2csc(-c3ncccn3)n2)nc2ccccc21 44974015 YFIFBGZICJQELZ-UHFFFAOYSA-N 307.382 3.637 0 40 DHAB Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n(C(C)(C)C)n1 45783730 NRAZGGRPGCIGEN-LSDHHAIUSA-N 315.392 3.828 0 40 DHAB C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(Cl)s1 48819367 IJODRJGUSROJSB-VIFPVBQESA-N 313.781 3.738 0 40 DHAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)[C@@H]1CCOC1 58309124 MDGRBKRVPBBTPC-DOMZBBRYSA-N 321.829 3.644 0 40 DHAB COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(C)=O)cc1 58506716 FTOIWYJPOAQDJG-GOSISDBHSA-N 312.344 3.532 0 40 DHAB CCc1nc(CN(C)C(=O)[C@@H]2C[C@@H]2c2cccc(C)c2)cs1 69366908 MIKMPBAFGQYEMH-HZPDHXFCSA-N 314.454 3.776 0 40 DHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnn(C)c1C 69385011 DDOMSKWMFNWAQH-SJLPKXTDSA-N 311.429 3.527 0 40 DHAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1Cl 69620087 OPEZGMCXKJDKSJ-HIFRSBDPSA-N 319.763 3.774 0 40 DHAB Cc1cc(C[S@](=O)Cc2csc(-c3ccsc3)n2)on1 69705015 OTELCXLAVVBBJH-FQEVSTJZSA-N 324.452 3.617 0 40 DHAB O=C(NC1CCCCC1)c1cn[nH]c1-c1cccc(Cl)c1 71768890 PLOIDCXCGHXHEU-UHFFFAOYSA-N 303.793 3.793 0 40 DHAB COc1cccc2cc(C(=O)Nc3c(F)cccc3F)oc12 73742559 YQPKMEMUPISUSJ-UHFFFAOYSA-N 303.264 3.972 0 40 DHAB CCN(C)c1ccccc1NC(=O)Nc1ccccc1COC 75611683 HKANXJYBJQGEFO-UHFFFAOYSA-N 313.401 3.933 0 40 DHAB CCN(C)c1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 79306163 ZKSNVZABBJVBAA-NSHDSACASA-N 316.405 3.630 0 40 DHAB COC1CCC(N(C)C(=O)C2(Cc3ccccc3)CCC2)CC1 89334758 NUZABQQWUPWPJN-UHFFFAOYSA-N 315.457 3.815 0 40 DHAB Cc1cc(CN(C)C[C@@H]2CCOC2)ccc1Oc1cccnc1 93840098 ACOMAIMLZGBBCJ-KRWDZBQOSA-N 312.413 3.651 0 40 DHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2cscn2)o1 96433175 DSTMKUNQHMUKIC-SWLSCSKDSA-N 318.442 3.977 0 40 DHAB COc1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1OC 96621733 SBWYIFLGQTVDOK-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB Cc1ccc(O)c(CN[C@@H]2CC(C)(C)Cc3oc(C)cc32)n1 103343265 FBABELBPRRMXRP-CQSZACIVSA-N 300.402 3.800 0 40 DHAB Cc1cc(C)c2c3c(c(=O)oc2c1)[C@H](c1ccccc1)CC(=O)O3 104766136 UACRRECNPFUIHB-AWEZNQCLSA-N 320.344 3.851 0 40 DHAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COCC(C)C 224734113 OWNBVHQHIABCQH-UHFFFAOYSA-N 307.434 3.786 0 40 DHAB CC[C@H](NC(=S)Nc1ncccc1C)c1ccc(OC)cc1 225490824 GWOGPLYZHPKEJK-HNNXBMFYSA-N 315.442 3.836 0 40 DHAB CC(C)c1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 225718445 XVCXETUJFHFQNE-UHFFFAOYSA-N 320.392 3.764 0 40 DHAB c1ccc(C[C@@H]2CSC3(COC3)N2Cc2ccccc2)cc1 253595960 LLLLZGBLYJZRDG-GOSISDBHSA-N 311.450 3.573 0 40 DHAB Cc1nc(CN2Cc3ncc(C)n3C[C@H]2c2ccccc2)cs1 257309726 UCDPVCYUECQHDC-KRWDZBQOSA-N 324.453 3.714 0 40 DHAB Cc1ccc(C[C@H]2CCCN(C(=O)c3ccsc3)C2)cn1 257340196 ZEZORLOUQDSVIX-OAHLLOKOSA-N 300.427 3.546 0 40 DHAB CCN(C)C(=O)N[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 583651630 PQBSGBRUYBVPTN-SSDOTTSWSA-N 315.204 3.592 0 40 DHAB CC[C@@H]1c2ccccc2CCN1C(=O)c1ncccc1Cl 585085740 JQJBGXCJXMOBEX-OAHLLOKOSA-N 300.789 3.885 0 40 DHAB COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CC2(F)F 650600207 WCVCRQSVYOCRIN-UHFFFAOYSA-N 315.747 3.610 0 40 DHAB COc1cccc(NC(=O)N2CC[C@@H](c3cccs3)C2)c1 824781961 GXQTUQQDRTZANA-GFCCVEGCSA-N 302.399 3.778 0 40 DHAB Oc1ccccc1OCCC(F)(F)C(F)(F)Br 1083811107 WZZPOCLMONGZAD-UHFFFAOYSA-N 317.076 3.784 0 40 DHAB Clc1ccc(-c2nnc(-c3ccc(Cl)cc3)nn2)cc1 94181 OCLIQMAKECCZNO-UHFFFAOYSA-N 303.152 3.907 0 40 DHAB O=C(Nc1ccccc1)N(Cc1ccccc1)C1=NCCS1 504297 RJEFUGUAZORYQC-UHFFFAOYSA-N 311.410 3.824 0 40 DHAB COc1ccc(C)cc1NC(=O)NC(=O)c1ccc(Cl)cc1 1754044 MAQJKGKCWPLLOS-UHFFFAOYSA-N 318.760 3.619 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)c1n[nH]c(=O)c2ccccc12 2653179 LJHIHAGZGDWJIM-GFCCVEGCSA-N 321.380 3.689 0 40 DHAB Cc1noc(C)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 3422931 MXPGNHOBRUHIPZ-UHFFFAOYSA-N 316.691 3.799 0 40 DHAB Cc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 3456057 NFURAOPBBKZTDP-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB COc1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1OC 3478886 ODUFCNHEOYMWHW-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB O=C(CCSc1ccc(F)cc1)Nc1nc2c(s1)CCC2 4496843 RCELIDRRAZVZGJ-UHFFFAOYSA-N 322.430 3.892 0 40 DHAB CSc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 4517552 OALIGZCZPKRVKH-UHFFFAOYSA-N 311.366 3.711 0 40 DHAB C[C@H](CNC(=O)c1cccs1)OC12CC3CC(CC(C3)C1)C2 4687154 KNNSDCYETZWAMV-QLFDAEIZSA-N 319.470 3.852 0 40 DHAB O[C@H](CNC1CCCCC1)COCC12CC3CC(CC(C3)C1)C2 5188815 JVIGMYCEKLTUFH-OFGIBPIPSA-N 321.505 3.503 0 40 DHAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(OC)c1 6232030 NMYWZCBDDQRQNW-KRWDZBQOSA-N 311.381 3.511 0 40 DHAB O=C1CS[C@H](c2ccc(Cl)cc2)N1CCc1ccccn1 6590340 RPWNEXRTCFTJPF-MRXNPFEDSA-N 318.829 3.552 0 40 DHAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1C 6820386 ILGMPOGBDHOYJB-UHFFFAOYSA-N 301.820 3.819 0 40 DHAB O=C(Nc1ccccc1Cl)n1nnc2cc(Cl)ccc21 6926979 BLMAWZGQZXSAAK-UHFFFAOYSA-N 307.140 3.818 0 40 DHAB CCCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 7262360 ZPUCCRXCPLEEPI-UHFFFAOYSA-N 320.820 3.822 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(C)c1 7709449 XICGESJDXFNPCJ-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB COc1cccc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1 8002555 XYPNRQTYPWKMEW-LJQANCHMSA-N 312.413 3.621 0 40 DHAB CC(=O)c1cc(CCC(=O)NCc2ccc(Cl)cc2)oc1C 8112391 BXUJMDSDTKORLB-UHFFFAOYSA-N 319.788 3.693 0 40 DHAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 8216877 SITOGCRYHCBKHG-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB Cc1ccc2c(c1)CCCN2[C@@H](C)C(=O)NCc1cccs1 8533470 WMMMNDHSJJFYTG-AWEZNQCLSA-N 314.454 3.514 0 40 DHAB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1nccs1 9146346 VOONXUYDVLQKJG-LLVKDONJSA-N 318.427 3.529 0 40 DHAB COc1ccc(Nc2ccc(NC(=O)c3cc(C)no3)cc2)cc1 9368660 ONJCYPJUTTYWIF-UHFFFAOYSA-N 323.352 3.988 0 40 DHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(F)c2)c1 9479776 WUPUHFCHKKHCOM-UHFFFAOYSA-N 314.360 3.560 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)on1 10998300 ZYIFBJVJZXVLDD-QMMMGPOBSA-N 315.156 3.696 0 40 DHAB CCCn1nc(C)c(CN2CCn3cccc3[C@H]2C(C)C)c1C 12188589 BJZLXTJUVFPNLT-LJQANCHMSA-N 314.477 3.924 0 40 DHAB Cc1ccc(C2(NCc3ccnn3[C@H]3CCCCO3)CC2)cc1 12238735 VKYZIBSAOHSTBU-GOSISDBHSA-N 311.429 3.670 0 40 DHAB Cc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)c1 12998882 JEAJEJKONFCIGO-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)O)c1 13094505 ORGWTAFKPRHHCG-UHFFFAOYSA-N 321.332 3.799 0 40 DHAB Clc1cccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 19831795 RIXXVXALVTVHMJ-BPQIPLTHSA-N 316.876 3.670 0 40 DHAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2)cc1OC 19933215 WUYWBRYPYAZVTF-BRADTZPFSA-N 311.381 3.594 0 40 DHAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1F 22226606 BUKWQIKJHWRBKG-BZNIZROVSA-N 301.386 3.720 0 40 DHAB O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccccc1 22480222 KFKSIKZTOLJOQS-UHFFFAOYSA-N 309.287 3.514 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(-c3ccccc3)n[nH]2)C1(C)C 25162500 NCMVYIVNXTXASO-KGLIPLIRSA-N 310.401 3.649 0 40 DHAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccccc1F 27993956 OHVVMSFCYPHGJJ-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB Cc1cccc(OCc2ccc(C(=O)Nc3ccncc3)o2)c1 28237788 CGWNVURIUYXZTR-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2F)cc1 28308083 VNEDRPHSRRAQFN-KRWDZBQOSA-N 317.335 3.951 0 40 DHAB CCn1nc(C)cc1NC(=O)Nc1ccccc1C(F)(F)F 32609972 QHUJYCYWJRSGAV-UHFFFAOYSA-N 312.295 3.874 0 40 DHAB O=C(Nc1cccc(Cl)c1F)c1ccn(-c2ccccc2)n1 33155731 FNPQMRYWDHPENQ-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CCOC(=O)C1=Cc2cc(Cl)ccc2O[C@@H]1C(F)(F)F 34560106 YNUXNUIXJWXLAJ-NSHDSACASA-N 306.667 3.610 0 40 DHAB Cc1noc(C)c1CC(=O)Nc1cccnc1Oc1ccccc1 36761109 VCRIJXPQTSOJSM-UHFFFAOYSA-N 323.352 3.660 0 40 DHAB O=C(CCC1CCCC1)Nc1nnc(-c2ccccn2)s1 40145850 NXXQAYIDFKNFIP-UHFFFAOYSA-N 302.403 3.509 0 40 DHAB COc1ccc([C@H](O)c2cccc(Br)c2)c(OC)c1 40248065 BKPQEPUVXRDKJO-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB CC(C)c1nc(CC(=O)N2CCC[C@@H]2c2ccncc2)cs1 43009838 ROMIIIXZIVWIJK-OAHLLOKOSA-N 315.442 3.568 0 40 DHAB Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccn2)c(C)s1 46893698 WNKICOWGEYUNEZ-RYUDHWBXSA-N 303.431 3.881 0 40 DHAB Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccccn2)c(C)c1 47302696 XCNVARCAKYTKCT-UHFFFAOYSA-N 324.424 3.676 0 40 DHAB FC(F)(F)c1cccnc1NC1CCN(c2ccccn2)CC1 52185421 NNTVQDLNBZUTNA-UHFFFAOYSA-N 322.334 3.576 0 40 DHAB O=C(NCc1cccc(F)c1)NC[C@H]1CCCc2ccccc21 57888985 PNWQVMROWWQXEM-MRXNPFEDSA-N 312.388 3.745 0 40 DHAB Cc1noc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2Cl)n1 58331532 ZBCPISSTFMOLEW-ZCFIWIBFSA-N 315.160 3.568 0 40 DHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(SC)cc1 64467635 ZBQXXXXRYUIEEI-UHFFFAOYSA-N 307.440 3.624 0 40 DHAB CC(C)Cn1ccnc1NC(=O)c1csc(-c2ccco2)n1 64660114 QQNOEKJTXAXTCK-UHFFFAOYSA-N 316.386 3.508 0 40 DHAB c1csc(-c2nc(COc3ncnc4sccc34)co2)c1 65474835 GQVMXZROYOTLLA-UHFFFAOYSA-N 315.379 3.987 0 40 DHAB O=C(CCN1CC[C@H](c2ccccc2)C1)Nc1cccc(F)c1 65575519 WAZHJRLOQLIVMF-INIZCTEOSA-N 312.388 3.644 0 40 DHAB COc1ccc(C(=O)N(Cc2cccnc2)Cc2ccco2)cc1 69351693 AESZEHMCIANCJX-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCCCC1 69416817 NZTSFBQGQSVEHI-QWHCGFSZSA-N 308.219 3.565 0 40 DHAB Cc1ccc(C)c(C[S@@](=O)Cc2cccc3c2OCCO3)c1 69813162 FSDQIWALZLXWPI-JOCHJYFZSA-N 316.422 3.524 0 40 DHAB Cc1ccc2oc(C(=O)Nc3ccnn3[C@H](C)C3CC3)cc2n1 69902677 QKRHZNVMMVSGEV-LLVKDONJSA-N 310.357 3.556 0 40 DHAB CC(=O)N(c1nc(CSc2ccc(C)cn2)cs1)C1CC1 71907982 GKEHUFZHXULUIS-UHFFFAOYSA-N 319.455 3.654 0 40 DHAB CC(C)c1nc([C@@H]2CCCN([C@@H](C)c3ccncc3)C2)no1 72277656 DODPYHNGMGGWHD-DZGCQCFKSA-N 300.406 3.529 0 40 DHAB C[C@@H](CNC(=O)N[C@H](C)c1ccncc1)Sc1ccccc1 76085230 REZIAJMVTLGKSA-UONOGXRCSA-N 315.442 3.623 0 40 DHAB O=C(NCc1ccccn1)Nc1cccc(N2CCCCCC2)c1 77723574 RYLOYXJFNQCMMU-UHFFFAOYSA-N 324.428 3.784 0 40 DHAB Cc1ccc(NC(=O)c2cccc3cc[nH]c23)c(CN(C)C)c1 80287623 VIVCOCUQIKAHNR-UHFFFAOYSA-N 307.397 3.790 0 40 DHAB O=C(Nc1ccc(N2CCCC2)cn1)[C@H]1CCCc2ccccc21 84581902 DCXHJEUHBNPXGW-SFHVURJKSA-N 321.424 3.740 0 40 DHAB CCC(=O)N[C@H]1CCCN([C@@H](C)CCSc2ccccc2)C1 84718680 DLGNDWTWKHHPGJ-HOTGVXAUSA-N 320.502 3.548 0 40 DHAB CC(C)(C)[S@@](=O)CCNCc1cc(Cl)cc2cccnc12 89694426 DPQOLIFDGCBXSD-OAQYLSRUSA-N 324.877 3.525 0 40 DHAB O=C(/C=C/c1cnccn1)Nc1ccccc1-c1cccs1 89821260 LLWRUWPBFFQGOZ-BQYQJAHWSA-N 307.378 3.857 0 40 DHAB O=C(C1C2CC3CC(C2)CC1C3)N1CCc2sccc2C1 89885380 HPUHBMBRJCDGLW-UHFFFAOYSA-N 301.455 3.705 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CNc3ccccc32)C1 91303107 UVKWHITVTJOVCV-DZGCQCFKSA-N 302.418 3.843 0 40 DHAB in-vitro O=C1CCC[C@@H]1CCSc1cc2c(cc1Cl)OCCO2 95963562 RBPYWSWQGZDMPC-SNVBAGLBSA-N 312.818 3.963 0 40 DHAB c1cc2ncc(CNCc3ccn(C4CCCC4)n3)cc2s1 95974282 SBCNAQUBMKBQAY-UHFFFAOYSA-N 312.442 3.898 0 40 DHAB CO[C@H](CNC(=O)CCc1ccccc1F)c1ccccc1C 96105042 WEXCJOAMAWFIKO-GOSISDBHSA-N 315.388 3.571 0 40 DHAB Cn1cc(-c2nc(-c3ccccc3OC(F)F)cs2)cn1 96403718 ZEEDIHJJJBXPLO-UHFFFAOYSA-N 307.325 3.812 0 40 DHAB FC(F)(F)c1csc(CNc2ncnc3ccccc23)n1 97020968 NQSHYBVQRFHJMQ-UHFFFAOYSA-N 310.304 3.717 0 40 DHAB Cn1cc(CN[C@H]2CCCc3ccccc32)c(-c2cccnc2)n1 97159737 BTLYGPYEMRAPDU-IBGZPJMESA-N 318.424 3.649 0 40 DHAB CC(=O)Oc1ccccc1C(=O)O[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104220784 AKEZUIBGEWITHJ-AXHNFQJDSA-N 316.397 3.984 0 40 DHAB CC[C@H](C)NC(=O)CSCc1cccc(Br)c1 187734378 ZHWZMCMEIAUTPL-JTQLQIEISA-N 316.264 3.597 0 40 DHAB Cc1ccc(C(=O)Nc2cc(N3CCCC3)c(C)cc2N)cc1 216865905 CDOADYIRJDXMIM-UHFFFAOYSA-N 309.413 3.738 0 40 DHAB O=C(O)c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 216944750 PJPOPSGEPZZLND-UHFFFAOYSA-N 311.120 3.911 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccccc1 224448378 MMQIKCFIGVFCLI-KDOFPFPSSA-N 315.388 3.903 0 40 DHAB COc1cccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)c1 225100220 KDDWEIBXFCIUTG-LJQANCHMSA-N 322.360 3.923 0 40 DHAB C[C@@](O)(CNC(=O)c1cc2ccccc2s1)c1cccs1 225621692 FYDQYAUDKKDWJQ-MRXNPFEDSA-N 317.435 3.600 0 40 DHAB CSc1cccc(C(=O)NCc2ccc(-c3ccco3)nc2)c1 238813211 AUZIRIKOZOLTGW-UHFFFAOYSA-N 324.405 3.994 0 40 DHAB FC(F)(F)c1ccc(CN2CCC[C@H]2c2cnccn2)cc1 257253357 JYOAZPMFYGREIF-HNNXBMFYSA-N 307.319 3.833 0 40 DHAB Cc1nc2ccccc2c(C)c1C(=O)NCC[C@H]1CCCCO1 281419849 ZXBIMHWTPSTORG-OAHLLOKOSA-N 312.413 3.541 0 40 DHAB Cc1cccc([C@H]2CCCCN2C(=O)C[C@H](C)CC(=O)O)c1C 574415559 ZHLBKORIKWQEFD-SUMWQHHRSA-N 317.429 3.858 0 40 DHAB CCN1CCC[C@@H](CNC(=O)c2ccc(C3CCCC3)cc2)C1 576674573 WDBKZBIGNHCVOV-INIZCTEOSA-N 314.473 3.806 0 40 DHAB C[C@H](C1CC1)n1cc(NC(=O)N[C@@H]2CCc3ccccc3C2)cn1 681781944 RBKJVEKYISBOCV-CXAGYDPISA-N 324.428 3.533 0 40 DHAB c1coc([C@H](CNc2ncnc3ncccc23)c2ccsc2)c1 1775971191 ISIMGIDDZKHCAG-CQSZACIVSA-N 322.393 3.923 0 40 DHAB COc1cc(C(=O)NC2CCCCCCC2)cc(OC)c1OC 43175 NUFZQANTKYVCON-UHFFFAOYSA-N 321.417 3.555 0 40 DHAB C[C@@H](NC(=O)c1ccccc1Br)c1ccccc1 48353 ACDYXIJZDMIJJB-LLVKDONJSA-N 304.187 3.940 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 203133 SKODWYUWXQWEMP-UHFFFAOYSA-N 321.380 3.698 0 40 DHAB O=C(O)c1ccc(NCc2cccc(Br)c2)cc1 359867 AXQVARVJGFLCSX-UHFFFAOYSA-N 306.159 3.759 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N(C)C)cc1 483314 FCVLXQPHUSRSRM-UHFFFAOYSA-N 318.804 3.732 0 40 DHAB CN(C)c1ccc([C@H]2OCC[C@@]3(CCOC(C)(C)C3)O2)cc1 517745 RNXCDKJGMRCTGF-WMZOPIPTSA-N 305.418 3.516 0 40 DHAB biogenic Cn1ccs/c1=N\C(=S)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 1104271 RRMXBPATGWUQPV-SAEXGPCSSA-N 321.298 3.906 0 40 DHAB CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O 1186773 IQXWQRXHBOUJEX-JYRVWZFOSA-N 303.314 3.752 0 40 DHAB CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1CCCCC1 1702306 DIRXEZDGYUSUBK-UHFFFAOYSA-N 321.417 3.507 0 40 DHAB O=C(CSc1nc2ccccc2o1)Nc1ccc(F)cc1 2475545 FEHURNWZSKTQDY-UHFFFAOYSA-N 302.330 3.698 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(F)cc1 3551627 NFDHCGNPMYNSQR-UHFFFAOYSA-N 311.278 3.703 0 40 DHAB COc1ccccc1-c1ccc(SCc2cccnc2)nn1 4271859 URDITIILAVXLFT-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccn2C)N3)C1 4571586 QXCAKQZLDRSSMA-XPTSAGLGSA-N 301.415 3.640 0 40 DHAB O=C(NC1CCCCCC1)C1CCN(C[C@@H]2CC=CCC2)CC1 4676418 VVHWMOMLDSTZPP-QGZVFWFLSA-N 318.505 3.894 0 40 DHAB CC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 5262033 DYHONWAOFDPCQW-LBPRGKRZSA-N 317.772 3.949 0 40 DHAB Cc1nnc2n1N=C(c1ccccc1)[C@@H](c1ccccc1)S2 6219092 PMBPAOOWWJLTGA-MRXNPFEDSA-N 306.394 3.686 0 40 DHAB Cc1cccc(-c2nc(CSc3nnc(C)n3C)cs2)c1 6234448 UEJVFDCYOBORAF-UHFFFAOYSA-N 316.455 3.848 0 40 DHAB CCOc1cc(CNc2ncc(-c3ccccc3)n2C)ccc1O 6605904 OOQQXCLWBRDBBU-UHFFFAOYSA-N 323.396 3.804 0 40 DHAB CN(c1ccccc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 7308542 YTOMXSLDMXCQSF-VAWYXSNFSA-N 307.802 3.777 0 40 DHAB COc1ccc(OC)c(NC(=S)N[C@H]2CCCC[C@@H]2C)c1 7529406 DKVLDCUPBQERSW-AAEUAGOBSA-N 308.447 3.569 0 40 DHAB CC(C)(C)OC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl 8699530 LDWRFWMEDWHTMA-NSHDSACASA-N 306.189 3.552 0 40 DHAB CCCCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 9232748 XHIQYFQJZPGVIL-UHFFFAOYSA-N 320.433 3.501 0 40 DHAB C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 10541813 HGJZOLLFOGGCKP-SNVBAGLBSA-N 322.257 3.555 0 40 DHAB COc1cc(CNC(=O)c2cccc(C)c2)ccc1OC(C)C 10542678 ZMLSBNIHRCPNPL-UHFFFAOYSA-N 313.397 3.721 0 40 DHAB COc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 10542988 LHBNJJMOHPEFBO-OAHLLOKOSA-N 311.381 3.727 0 40 DHAB FC(F)(F)c1nc(NCc2ccccn2)c2ccccc2n1 12553889 KIJVABRVFUUAHH-UHFFFAOYSA-N 304.275 3.656 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccco1 12750745 YAGAAZTXBLUWLR-SFHVURJKSA-N 317.348 3.675 0 40 DHAB Cc1ccc(/C=C/c2nc(=S)n(CN3CCC[C@@H](C)C3)[nH]2)o1 14186819 JCDPTNXRJLORIX-ABZNLYFFSA-N 318.446 3.702 0 40 DHAB O=C(Nc1ncc(Cl)cc1Cl)c1ccc2nccnc2c1 16739534 QVQHUBJQYOAGES-UHFFFAOYSA-N 319.151 3.584 0 40 DHAB Cc1cc(NC(=O)c2cccc(N)c2C)ccc1Br 19402020 ZACBIASMHBWYMU-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB O=C(Nc1ccccc1-n1cncn1)c1ccc2ccccc2c1 24999510 LOQQMJNGXVIJGM-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB Brc1c(COc2ccccc2)nc2sccn12 27093291 SSIPNGDATUUVRE-UHFFFAOYSA-N 309.188 3.737 0 40 DHAB Cc1ccn(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)n1 28241983 HXTKWCPTYQEYIW-RBUKOAKNSA-N 317.392 3.923 0 40 DHAB CCCn1c2c(c(SCc3cccc(C)c3)nc1=O)CCC2 28287474 KHQDGHWLNGHFNT-UHFFFAOYSA-N 314.454 3.743 0 40 DHAB Cc1ccc(-c2cc(C(=O)N3CCOc4ccccc43)no2)cc1 32624465 MYZGRCVVLKJSTH-UHFFFAOYSA-N 320.348 3.689 0 40 DHAB Cc1cccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1C 36635493 HALUACHOSLWPER-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1Cl 38752167 ZFCCKKYUOHPSLH-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB Cc1nc2ccc(NC(=O)NCCCOC(C)C)cc2s1 40103269 WAVCPUGDUWMEQN-UHFFFAOYSA-N 307.419 3.541 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1cccc(Cl)c1Cl 40301880 MWDDWWHFRMBGIM-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(N2CCCC2=O)cc1 43574191 GCYUXAAJMVQGKN-XJKSGUPXSA-N 315.417 3.514 0 40 DHAB COc1cc(CNC(=O)C2CCCC2)ccc1OC1CCCC1 48281382 ALYBAVVQKDZPCS-UHFFFAOYSA-N 317.429 3.823 0 40 DHAB COc1ccccc1NC(=O)N[C@H](C)COc1ccccc1C 56516259 QRQANOGYUYUBCW-CQSZACIVSA-N 314.385 3.593 0 40 DHAB Cc1noc(C)c1[C@H](C)C(=O)NCC1(c2ccccc2)CCC1 58226520 KPGQVOCCQBZFRQ-ZDUSSCGKSA-N 312.413 3.633 0 40 DHAB Cc1nc(-c2ccccc2)sc1CSc1nnc(N)s1 58292973 BGJPMHGKYYLNPN-UHFFFAOYSA-N 320.468 3.845 0 40 DHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc2cccnc12 58356513 BGNQANHJHBIAGW-UHFFFAOYSA-N 316.316 3.594 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 59227246 ICYSNHHPAJYRKV-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CCC[C@@H]1CCCN(C(=O)c2cc3c(C)nn(C)c3s2)CC1 65513936 KCQREMQGOYAIJS-CYBMUJFWSA-N 319.474 3.986 0 40 DHAB CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 67056729 WAZQEWCLKXTHHK-VXGBXAGGSA-N 318.760 3.634 0 40 DHAB Cc1ccc(C(=O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 67206245 QINFKQFUXYDWJX-UHFFFAOYSA-N 322.452 3.617 0 40 DHAB COc1ccc(-c2ccc(NC(=O)C3CC3)nc2)c2cccnc12 67907856 VVPAPMFFBLFMLZ-UHFFFAOYSA-N 319.364 3.654 0 40 DHAB Cc1nn(C)c(C)c1CCC(=O)N1CCCCC[C@@H]1C(C)(C)C 69892788 QVBIHHQDFJABCH-QGZVFWFLSA-N 319.493 3.787 0 40 DHAB CC[C@@H](c1ccc(F)cc1)N1CCC(c2noc(C)n2)CC1 71915655 BIQZKVOTQWVUBS-INIZCTEOSA-N 303.381 3.848 0 40 DHAB Cc1ccc(C2(C(=O)N3C[C@H](C)C[C@@H](C)C3)CCOCC2)cc1 72265199 ADKJAAWBQNUIPV-IAGOWNOFSA-N 315.457 3.548 0 40 DHAB CCOC1CCN(C(=O)NCc2ccc3ccccc3c2)CC1 72274359 SHMHZLRKAHOVQI-UHFFFAOYSA-N 312.413 3.550 0 40 DHAB Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)nc1 84191512 CKLRQYDRMQHZTD-IBGZPJMESA-N 312.413 3.648 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CSc2ccncc2)CC1 85332907 IPFVWDYWKMEYMT-UHFFFAOYSA-N 308.447 3.821 0 40 DHAB Sc1ncnc2c1cnn2-c1ccc(-c2ccccc2)cc1 85398046 IRCKJCWVKGYWLI-UHFFFAOYSA-N 304.378 3.771 0 40 DHAB Cc1noc(C)c1CN(C)Cc1c(F)cccc1N1CCCC1 91812887 KISAQDRQXAULIN-UHFFFAOYSA-N 317.408 3.663 0 40 DHAB COc1ccc(Br)c(CO)c1OCc1ccccc1 95095084 AODKIFCCBASXCD-UHFFFAOYSA-N 323.186 3.529 0 40 DHAB C[C@H](N[C@@H](C)C1CCCCC1)C(=O)N[C@H](C)c1ccccc1 95404423 JZUWJAHQMDUHSO-XHSDSOJGSA-N 302.462 3.811 0 40 DHAB CCc1cnc(CSCc2cc(C(C)=O)ccc2OC)o1 95414545 AIAVKAKANXRDMI-UHFFFAOYSA-N 305.399 3.882 0 40 DHAB Cc1cc(O)ccc1C(=O)NCC1(c2ccc(F)cc2)CCC1 95976471 DCQSAWJFVBMDAY-UHFFFAOYSA-N 313.372 3.691 0 40 DHAB COc1ccc(CN2CC[C@@]3(CCCN(CC(C)C)C3)C2)cc1 96215268 XOLJLRIEHGBXJO-HXUWFJFHSA-N 316.489 3.639 0 40 DHAB CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccncc1F 97135611 NXCMQERVEDROGM-UHFFFAOYSA-N 307.756 3.581 0 40 DHAB COC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1C 102596521 UHVVEARQIVVNGF-SRVKXCTJSA-N 307.415 3.526 0 40 DHAB C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12 118932138 VFQOKWWMUFPWLL-ULJKZJRLSA-N 306.490 3.997 0 40 DHAB O=C(CN1Cc2ccccc2C1)Nc1cc(Cl)ccc1Cl 155521255 ZJNMQBXZCPEASS-UHFFFAOYSA-N 321.207 3.948 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)CSC[C@@H]1CCCCO1 171382586 JWBCVMWQWOFFBU-OLZOCXBDSA-N 313.488 3.570 0 40 DHAB O=C(c1ccno1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206876055 YOXHNKTUAKHWIY-ZDUSSCGKSA-N 304.777 3.738 0 40 DHAB COc1ccc(OC[C@H](C)NC(=O)c2cc(C)ccc2C)cc1 223165181 YMNPPQUGXJHAJV-HNNXBMFYSA-N 313.397 3.509 0 40 DHAB CCC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2)nn1 225188758 FFRDJJILSPJREP-GFCCVEGCSA-N 316.430 3.744 0 40 DHAB CCC[C@@H](C)NC(=O)c1snnc1-c1ccc(Cl)cc1 225771661 FSDOPOPYOKTYFV-SECBINFHSA-N 309.822 3.777 0 40 DHAB Cc1cc(-c2ccc(/C=C/C(N)=O)o2)ccc1Br 226256555 LXVLFILMLMOKAY-QPJJXVBHSA-N 306.159 3.516 0 40 DHAB CN(C(=O)COc1ccsc1)[C@H]1CCCc2ccccc21 554571463 OLFBXKUZHBKGBS-INIZCTEOSA-N 301.411 3.663 0 40 DHAB Cc1ccc(NCn2nnc3ccccc32)c(Br)c1 97542 JHDHIHLMEIIWTA-UHFFFAOYSA-N 317.190 3.572 0 40 DHAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)cc1 531772 RZHBFOVSZPPSGC-SJORKVTESA-N 324.359 3.572 0 40 DHAB CCCC[C@@H](C[C@H](C)O)c1nnc(S)n1-c1ccccc1 2261969 KLIVYBXUYVJJHP-STQMWFEESA-N 305.447 3.601 0 40 DHAB Cc1cccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c1 2380985 LRSLFZGLCSEFQK-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC(C)C 3402172 FETJFAMQISYKMC-UHFFFAOYSA-N 319.836 3.587 0 40 DHAB COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)cc1 4678663 GKARZFLTNQXENO-UHFFFAOYSA-N 311.360 3.847 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)NCc1ccc(-n2cccc2)cc1 4709675 CSVZMXPLDIDPAB-KPKJPENVSA-N 320.367 3.946 0 40 DHAB NC(=O)c1oc2ccccc2c1NC(=O)CCC1CCCCC1 4851886 BPWXQKHVLOOLHY-UHFFFAOYSA-N 314.385 3.831 0 40 DHAB CCOc1ccc(-c2nn3c(C(C)(C)C)nnc3s2)cc1 5015440 UZDSEYXPYOMBPU-UHFFFAOYSA-N 302.403 3.549 0 40 DHAB CN(C)C1(CNC(=O)c2ccc3ccccc3c2)CCCCC1 5336255 MKAJZTVEWIUHGM-UHFFFAOYSA-N 310.441 3.834 0 40 DHAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5354730 OXSAJRXZZRQLAN-HQJQHLMTSA-N 319.188 3.614 0 40 DHAB CCCCNC(=O)Nc1ccc(C)cc1NC(=O)NCCCC 5419769 JYYXZCJGUGBHED-UHFFFAOYSA-N 320.437 3.838 0 40 DHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1Cl 5421158 CSKXFLHFBSHCIK-LBPRGKRZSA-N 310.825 3.611 0 40 DHAB O=C(Oc1ccc2c(c1)OCO2)c1cc(F)c(F)cc1Cl 5577347 JVDMDABPGCJUEU-UHFFFAOYSA-N 312.655 3.566 0 40 DHAB CCCCCOc1ccc(-n2cnc3ccccc3c2=O)cc1 5712328 CIXIBOLJALKEIW-UHFFFAOYSA-N 308.381 3.955 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1COc2ccccc2C1 8113589 UKJUGHYAYIZPSR-LBPRGKRZSA-N 321.298 3.895 0 40 DHAB C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1F 8535071 KPOOIBQZDBRICH-GFCCVEGCSA-N 323.795 3.529 0 40 DHAB CCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3 8691065 BMHQJVDCDIRKPR-UHFFFAOYSA-N 314.435 3.862 0 40 DHAB aggregator C[C@H](c1ccc(F)cc1)N(C)C(=O)Nn1cnc2ccccc21 10405386 BXHFQLPWLFPONX-GFCCVEGCSA-N 312.348 3.532 0 40 DHAB O=C1Cc2cc(NC(=O)c3cccc4ccccc34)ccc2N1 10826297 ZWUKWPGDQNEGOJ-UHFFFAOYSA-N 302.333 3.587 0 40 DHAB O=C1Cc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N1 10826323 RDBBMPZSRIVEAQ-UHFFFAOYSA-N 302.333 3.587 0 40 DHAB Cc1cc(CNC(=O)c2ccc(OC(F)F)cc2)ccc1F 10999524 LXEQCIHLKIKNFJ-UHFFFAOYSA-N 309.287 3.666 0 40 DHAB CCCn1nc(C)c(CN2CCn3cccc3[C@@H]2C(C)C)c1C 12188587 BJZLXTJUVFPNLT-IBGZPJMESA-N 314.477 3.924 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C)c1 13676413 QGSCUXVRDLOJOM-OAHLLOKOSA-N 315.438 3.752 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 14396131 ZHWCQIPBMGRHLL-HIFRSBDPSA-N 309.413 3.820 0 40 DHAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 15388858 ZTFBFPCFEBPPKX-CQSZACIVSA-N 301.361 3.699 0 40 DHAB COc1cc(CN2CCCCC[C@@H]2c2cc(C)no2)ccc1O 19120244 BNUNRMVRUYLRDA-OAHLLOKOSA-N 316.401 3.815 0 40 DHAB CC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)s1 22282680 RIMCPHYQHJZMRN-UHFFFAOYSA-N 313.422 3.802 0 40 DHAB O=C(NCc1ccccc1)c1csc(Nc2ccccc2)n1 23136826 AABUQNWBIBESLB-UHFFFAOYSA-N 309.394 3.817 0 40 DHAB Cc1cc(COC(=O)c2ccc(C3SCCS3)cc2)on1 25809883 HQRDSHHSUCLNIX-UHFFFAOYSA-N 321.423 3.819 0 40 DHAB Cc1ccc(-c2nn(CN(CC(C)C)C3CC3)c(=S)[nH]2)cc1 26625605 VWQQBZNZQXNRLD-UHFFFAOYSA-N 316.474 3.994 0 40 DHAB CC(=O)c1cccc(NC(=O)Nc2nc(C)c(C(C)=O)s2)c1 27925377 YDQIMZBEIMYKTH-UHFFFAOYSA-N 317.370 3.501 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)n1C 30115438 SIKHYSHNUOVSDQ-NSHDSACASA-N 310.319 3.843 0 40 DHAB CC(C)c1ccccc1NC(=O)C[C@H](C)NC(=O)c1ccccc1 32904792 YBXVWNQTNRRDLF-HNNXBMFYSA-N 324.424 3.957 0 40 DHAB O=C(NCc1cccs1)c1cnc(-c2ccccc2)s1 32930031 ZFPUJVZHQUDSSH-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 38832816 WRNMXHAPFJPEKZ-XLIONFOSSA-N 322.452 3.776 0 40 DHAB Cc1nc(C)c2c(C)c(C(=O)N[C@H](C)c3ccco3)sc2n1 39549316 IYYJQTFSKADHKU-SECBINFHSA-N 315.398 3.701 0 40 DHAB Cc1cc(Nc2nc(-c3cc(F)ccc3F)cs2)n(C)n1 40051927 KECGJCMXZDLJPN-UHFFFAOYSA-N 306.341 3.874 0 40 DHAB O=C(NCCc1ccc(F)cc1)c1[nH]c2ccccc2c1Cl 40143512 QADUCBIQWADHSE-UHFFFAOYSA-N 316.763 3.933 0 40 DHAB Cc1cccc(OCCNC(=O)c2ccccc2Cl)c1C 41156531 RPAAIXFDLGACGN-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)Nc1cccc2cccnc12 43528874 HOHUUCLLZMQFJP-UHFFFAOYSA-N 307.353 3.604 0 40 DHAB CCn1c(SCCc2cccs2)nnc1-c1ccncc1 58203149 DDPUHWIAAHQWOC-UHFFFAOYSA-N 316.455 3.756 0 40 DHAB Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)o1 71894242 ICMMCVSTCVBQRD-UHFFFAOYSA-N 313.397 3.657 0 40 DHAB O=C(NC1(c2ccc(Cl)cc2)CC1)[C@@H]1C[C@@H]1c1cccnc1 71899815 VRNYYFAOXFIDEJ-HZPDHXFCSA-N 312.800 3.644 0 40 DHAB CC(C)CCNC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 71909578 FMMGLXLIEPDWOB-JOCHJYFZSA-N 324.490 3.901 0 40 DHAB CN[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72207697 PXDBZPAFECMRLS-CVEARBPZSA-N 304.434 3.594 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 72283300 YCRFDIJOZHCXDE-CYBMUJFWSA-N 319.430 3.930 0 40 DHAB O=C(c1cncs1)N1CCC(CCc2ccccc2)CC1 72368375 OBLJUAINHFHXFM-UHFFFAOYSA-N 300.427 3.628 0 40 DHAB CO[C@@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1 78934774 WZZGZFWNODQVAN-CQSZACIVSA-N 324.302 3.536 0 40 DHAB Cc1ccc(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1 79440775 QSFAOLPWRQUERR-CYBMUJFWSA-N 308.447 3.739 0 40 DHAB Cc1cnc(C(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)cn1 84258164 LRYAFZKTQMSOBF-QWHCGFSZSA-N 317.820 3.703 0 40 DHAB CC(C)CSCCCN1CCO[C@H](c2ccc(F)cc2)C1 89856438 SBEQILUXQRVZLA-KRWDZBQOSA-N 311.466 3.978 0 40 DHAB O=c1c2cccc(Br)c2cnn1C1CCCCC1 95097286 SZKDSMDOVOZYIW-UHFFFAOYSA-N 307.191 3.664 0 40 DHAB c1coc(CNc2nc3ccccc3n2CCCn2ccnc2)c1 95464178 WOQFEQXYBTVVQQ-UHFFFAOYSA-N 321.384 3.528 0 40 DHAB O=C(CCc1ccncc1)N[C@H]1CCC[C@H]1Cc1ccccc1 96414500 FGRQBWROHQKZLD-OALUTQOASA-N 308.425 3.542 0 40 DHAB CN(CCOCC1CC1)C(=O)Nc1ccccc1C(F)(F)F 96461710 JEIZJXXAFWBSHX-UHFFFAOYSA-N 316.323 3.596 0 40 DHAB CCCc1sc(C(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1CC 97032364 LPOCGLOCFSVLHK-RYUDHWBXSA-N 309.475 3.949 0 40 DHAB C[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102864143 BODPWXQMNACCCN-SZXPJGKVSA-N 324.424 3.825 0 40 DHAB COc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1 222614962 OYHVJCOYEPBGDO-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224700717 HUNXZVRFLWBSHA-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB C[C@@H](COc1ccccc1)NC(=S)Nc1cccc(F)c1 225782486 DWDWCBBJQYUZBW-LBPRGKRZSA-N 304.390 3.580 0 40 DHAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4ccccc4s3)C2)n1 257284009 PAWNAJBNUQSDQJ-ZDUSSCGKSA-N 311.410 3.563 0 40 DHAB COC(=O)CCCCC(=O)c1cc(F)cc(C(F)(F)F)c1 575361379 ZDKMXZWVRBNXBL-UHFFFAOYSA-N 306.255 3.761 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(Br)cc1C 575362414 YYBNVOOFCBCWLC-UHFFFAOYSA-N 313.191 3.674 0 40 DHAB COc1ccc(N(CC2CC2)C(=O)C[C@H]2CC(C)(C)CO2)cc1 1526155054 WMVKZLQOTSMJGX-KRWDZBQOSA-N 317.429 3.643 0 40 DHAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc(C2CC2)ncn1 1888897185 IGABBMHOZUNTTE-UHFFFAOYSA-N 322.393 3.730 0 40 DHAB O=C1O[C@H](Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 32916 QBUQBJFTVLGTKT-ZDUSSCGKSA-N 309.243 3.866 0 40 DHAB CC(=O)O[C@H]1c2ccc(cc2)CCc2ccc(cc2)[C@H]1OC(C)=O 409597 AIRPCEQRTRZRJP-BGYRXZFFSA-N 324.376 3.694 0 40 DHAB Cc1cc2c(c(C(N)=O)c1C)-c1cc(Cl)cc(Cl)c1C2=O 1624689 DZCZMOGKNUULEW-UHFFFAOYSA-N 320.175 3.921 0 40 DHAB Cc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)o1 4543382 LACGJSHPVBNHBT-XLKFXECMSA-N 302.399 3.628 0 40 DHAB O=c1n(Cc2ccccc2)c2ccccc2n1Cc1ccccc1 5377326 JUYDYDARGZYQFW-UHFFFAOYSA-N 314.388 3.900 0 40 DHAB O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1O 5681942 PATNMPVYRILNMG-UHFFFAOYSA-N 303.361 3.912 0 40 DHAB CCCCOCCCNC(=O)c1cc2ccccc2cc1OC 6560267 UIVINFJAEBAYQV-UHFFFAOYSA-N 315.413 3.785 0 40 DHAB COc1cc(C2=Nc3ccccc3NCC2)cc(OC)c1OC 6732206 WWCVBSSENYQYSP-UHFFFAOYSA-N 312.369 3.649 0 40 DHAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(F)cc2)n1 6810453 BSULKYPXCIXJGR-UHFFFAOYSA-N 311.769 3.633 0 40 DHAB COc1ccc(OC)c(NC(=S)Nc2ccc(C)cc2)c1 7529371 NGRWUDRRDBWOAZ-UHFFFAOYSA-N 302.399 3.821 0 40 DHAB O=C(Cc1noc2ccccc12)OCc1cccc(Cl)c1 7862442 MHSVFLWUCLEUAT-UHFFFAOYSA-N 301.729 3.767 0 40 DHAB Cc1cc(C)c2nc(NS(=O)(=O)c3ccccc3)sc2c1 8864572 RIPSURWBXSVKTQ-UHFFFAOYSA-N 318.423 3.714 0 40 DHAB CSc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1 9336290 VICDAEBUXOLCOE-UHFFFAOYSA-N 300.383 3.619 0 40 DHAB O=C(Nc1cccc2cccnc12)c1ccc(-n2cccn2)cc1 9690440 XOBNCWYKUFBYAW-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1OCC 10037978 RBYBDUWCNMYBKA-UHFFFAOYSA-N 315.369 3.832 0 40 DHAB COc1ccc(Nc2noc3c2C(=O)C[C@@H](c2ccco2)C3)cc1 10339429 IUFQTFYCWZAYCL-LLVKDONJSA-N 324.336 3.933 0 40 DHAB Cc1nc(S[C@H]2CCCCNC2=O)n(C2CCCCC2)c1C 10989700 VSZGTSZRYXQFEK-HNNXBMFYSA-N 321.490 3.766 0 40 DHAB COc1ccc(-c2cc(-c3nc(-c4cccs4)no3)[nH]n2)cc1 12415207 WMDSPIOUTWJZKY-UHFFFAOYSA-N 324.365 3.864 0 40 DHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc(Cl)c1 13069758 WJIAGNNQSWSECS-GFCCVEGCSA-N 300.789 3.730 0 40 DHAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 13547016 FRMVUUXHYGCYIC-UHFFFAOYSA-N 305.786 3.534 0 40 DHAB CCn1c(=O)n(Cc2cc(Cl)ccc2OC)c2ccccc21 14145804 AXYNWYKNHSQGLK-UHFFFAOYSA-N 316.788 3.533 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2ccccc2O1 15580577 WZLUCGMVYUTMIF-AWEZNQCLSA-N 307.271 3.648 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1cccc(Cl)c1 15966836 YWYZGSOLKCJLKP-GFCCVEGCSA-N 319.788 3.605 0 40 DHAB Cc1ccc2oc(-c3ccccc3)c/c(=N\CCC(=O)O)c2c1 19911635 GOSGAWUBKZVXBL-CAPFRKAQSA-N 307.349 3.784 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2)c(Cl)c1 20109147 JRJUVFVXACXWSK-UHFFFAOYSA-N 303.745 3.769 0 40 DHAB Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)cccc1C(=O)O 20295744 SSADBMCJIYNXLS-JXMROGBWSA-N 315.756 3.999 0 40 DHAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)NC1CCCC1 21596283 LRKSEUZGOBIOGJ-UHFFFAOYSA-N 320.502 3.526 0 40 DHAB O=c1ccc(C(F)(F)F)cn1Cc1coc(-c2ccccc2)n1 21902721 LCCVAAMZZVZYJI-UHFFFAOYSA-N 320.270 3.570 0 40 DHAB Clc1ccc2c(c1)CCc1cccnc1[C@H]2C1=CCNCC1 22061511 ADSCCBORDDPTRQ-SFHVURJKSA-N 310.828 3.885 0 40 DHAB in-vitro CCc1ccc([C@@H](C)NC(=O)COc2ccccc2F)cc1 22743683 YRTMMFWIDIKHQY-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB Cn1ccnc1[C@H](Nc1nc2ccccc2o1)c1ccccc1 29400997 XUAMPSATJZVCMR-MRXNPFEDSA-N 304.353 3.763 0 40 DHAB Cc1cc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)no1 32679603 LXSCZJQATTVCGT-UHFFFAOYSA-N 323.352 3.826 0 40 DHAB C[C@H](NC(=O)c1cccc(F)c1)c1cccc(OC(F)F)c1 32930427 CYIGFWIQPVQRCW-JTQLQIEISA-N 309.287 3.918 0 40 DHAB COc1ccc(C(=O)c2ccccc2Br)cc1F 35424058 JWULDKRPAFHYEA-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB C[C@H]1C[C@H](C)CN(C[C@H](O)COc2cccc3ccccc23)C1 36597087 HFXCITHPWPIGGI-BQFCYCMXSA-N 313.441 3.557 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)c(N)c1 37274610 CDGUHLNJSXTMJF-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38835060 UIWJFMRYTWLCSC-QGZVFWFLSA-N 324.424 3.546 0 40 DHAB Cc1noc([C@H]2CCCCN2C(=O)CCC2CCCCC2)n1 41123294 UBSHVTVDLDTSEG-OAHLLOKOSA-N 305.422 3.792 0 40 DHAB CCc1ccc([C@H](C)NC(=O)COc2cccc(OC)c2)cc1 44508809 ADAVWYWTEJZPPK-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB c1ccc2oc(NCCCNc3nc4ccccc4o3)nc2c1 51649940 JNKLFZWKCSGYDL-UHFFFAOYSA-N 308.341 3.883 0 40 DHAB CN(C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCC2 53997247 BZXFXGPYTRKFTR-UHFFFAOYSA-N 323.440 3.559 0 40 DHAB CC(C)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 63814211 RUIWJDGPKKFHRA-XKQJLSEDSA-N 314.429 3.542 0 40 DHAB Cc1cc(-c2nnco2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 67724327 NGYVSCABNMSYGR-CVEARBPZSA-N 319.364 3.787 0 40 DHAB O=C(CCc1cccc(OC2CCCC2)c1)NCc1cccnc1 67899679 CAWSXSNYDGASFR-UHFFFAOYSA-N 324.424 3.652 0 40 DHAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(OC2CCCC2)CC1 79040061 RRVIUTSZSUFNAX-CRAIPNDOSA-N 323.477 3.532 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1C[C@H]1c1ccco1 84027061 PGKPBUTYNWOXTB-KGLIPLIRSA-N 323.348 3.599 0 40 DHAB C[C@@H]1CCc2c(C(=O)N(C[C@H]3CCOC3)C3CC3)csc2C1 84700241 ICQFFOTVMGMZNU-CHWSQXEVSA-N 319.470 3.514 0 40 DHAB c1ccc2c(c1)ncn1nc(C3C4CC5CC(C4)CC3C5)nc21 95946472 MXPAKDBALPMTIZ-UHFFFAOYSA-N 304.397 3.817 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(F)c(C)c1 96659286 BDPORVABNXNWSW-UHFFFAOYSA-N 307.390 3.806 0 40 DHAB Cc1ccccc1Cc1nnc(NC(=O)Cc2ccccc2)s1 98086584 GIQUPXMWVBYGKL-UHFFFAOYSA-N 323.421 3.619 0 40 DHAB Fc1ccc(N/C=C\c2nnnn2-c2ccccc2)cc1Cl 100410846 YXJUFWJUXDZLIK-HJWRWDBZSA-N 315.739 3.538 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4ccccc4Cl)C[C@H]1CC[C@@]23C 103918279 WIDATBMHYFSJTN-HSHDSVGOSA-N 305.805 3.874 0 40 DHAB CCOC(=O)/C=C/c1ccc(-c2ccc(C(=O)OCC)cc2)o1 216886000 ZBAZJBYFLYPAFB-ZRDIBKRKSA-N 314.337 3.700 0 40 DHAB CCOC(=O)C1(c2ccc(NC(=O)c3cccs3)cc2)CC1 222955688 ZMNJLXHDEJSCMB-UHFFFAOYSA-N 315.394 3.595 0 40 DHAB CCOc1cc(C(=O)NCCc2ccc(C)o2)cc2occc12 223244456 JPQAZHAWNZUOBO-UHFFFAOYSA-N 313.353 3.705 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)c1cc(C)c(C)cc1C 225649534 LVOXJBJYEWXTCH-GOSISDBHSA-N 316.489 3.996 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccccc1)c1ccc(Cl)s1 225700446 NYVCJLHEJJIAHC-UTSBKAFOSA-N 321.829 3.919 0 40 DHAB CCCNC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 225774182 NXABUHUUYFLIQR-UHFFFAOYSA-N 316.376 3.614 0 40 DHAB O=C(Nc1cccc(F)c1)c1cc2cccc(Cl)c2oc1=O 226039409 NJPHJYBNXZJAQT-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB CCCN(CCC)C[C@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 248341552 WLHJRBJPHRKJAX-VUHPKUFZSA-N 311.510 3.701 0 40 DHAB COC(=O)CCCCC(=O)c1cc(OC)c(Cl)cc1Cl 575361602 WIATXUWMEPZZLS-UHFFFAOYSA-N 319.184 3.918 0 40 DHAB O=C(c1cccc2scnc12)N1CC[C@H](c2ccccc2)C1 1526905456 YWSONJDOHRCWTH-AWEZNQCLSA-N 308.406 3.926 0 40 DHAB Cc1c(Cl)ccc2sc(N3CC(Cn4ccnc4)C3)nc12 1889179230 MHTPIAXSTCALMM-UHFFFAOYSA-N 318.833 3.591 0 40 DHAB FC[C@@H]1CCN(c2nc3ccc(Br)cc3s2)C1 1963525208 DJYVWMLVFJOQRU-QMMMGPOBSA-N 315.211 3.855 0 40 DHAB O=C(Nc1ccccc1)N1CCc2scc[n+]2-c2ccccc21 384207 CSOWNVMLIMOBRR-UHFFFAOYSA-O 322.413 3.619 0 40 DHAB CCc1c(C)c2ccc(O[C@H]3CCCCC3=O)cc2oc1=O 489638 IZNVGPOGWHWRJT-INIZCTEOSA-N 300.354 3.554 0 40 DHAB biogenic Fc1cccc(-c2nnc3sc(Cc4ccccc4)nn23)c1 1018191 SBNGVPTWNKBJJV-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB CCCN(C(=O)C(C)C)c1nnc(-c2cccc(C)c2)s1 1345418 IWLGBFUKUXOJNZ-UHFFFAOYSA-N 303.431 3.913 0 40 DHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 1934334 OEDGEQVVECBFGF-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB CCN(CC)CCC(=O)c1ccc2c3c(n(C)c2c1)CCCC3 2022223 FJQRRECHJMUSKG-UHFFFAOYSA-N 312.457 3.972 0 40 DHAB COP(=O)(OC)[C@@H]1c2ccccc2-c2cccc(C(=O)O)c21 2044426 POYGDCBIKDWMDF-OAHLLOKOSA-N 318.265 3.941 0 40 DHAB c1ccc(SCCOCCN2CCc3ccccc3C2)cc1 2191180 AVXSHUHCOUQLEG-UHFFFAOYSA-N 313.466 3.854 0 40 DHAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)C(C)(C)C 2580986 AXKMZANHFOJKST-QGZVFWFLSA-N 318.461 3.766 0 40 DHAB CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=N)N)cc1Cl 2599225 FCTWHNUVLILHHV-UHFFFAOYSA-N 304.177 3.624 0 40 DHAB O=C1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2N1 3109864 ROOLAGCZWWDRCM-UHFFFAOYSA-N 321.163 3.592 0 40 DHAB Cc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)c(C)c1 3116844 CSFIGWRXWVVNFB-UHFFFAOYSA-N 318.424 3.573 0 40 DHAB O=C(CNc1ccc(F)c(Cl)c1)N1CCCc2ccccc21 3398426 GEEXHJUWKIFENO-UHFFFAOYSA-N 318.779 3.870 0 40 DHAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccc(Cl)c2)c1 3401383 ATGRHFQPYHYJFH-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB COc1ccc2c(CC(=O)Nc3cccc(C(C)=O)c3)coc2c1 3561740 GUEQBKGTMSFKKX-UHFFFAOYSA-N 323.348 3.825 0 40 DHAB CC1(C)OC[C@H]([C@H](c2ccccc2)N(O)Cc2ccccc2)O1 3849363 IHVMYGDTMWXZQI-MSOLQXFVSA-N 313.397 3.771 0 40 DHAB biogenic O=C(CSc1ccc(-c2ccco2)nn1)c1ccc(F)cc1 4357912 KCMXACXDEVCGPB-UHFFFAOYSA-N 314.341 3.851 0 40 DHAB O=Cc1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 5653278 QISWOFXYPZNMFR-UHFFFAOYSA-N 323.270 3.535 0 40 DHAB CCC(=O)Nc1ccc(C)cc1-c1nc2ccc(C)cc2[nH]c1=O 6657376 UAOFRSAIPJRNQN-UHFFFAOYSA-N 321.380 3.555 0 40 DHAB Cc1ccc2occ(CC(=O)Nc3nnc(C(C)C)s3)c2c1 6809801 MUKUNHPBZUNBPD-UHFFFAOYSA-N 315.398 3.897 0 40 DHAB aggregator C[C@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(F)cc1 7577677 UCUDOIDAPSRVNA-QMMMGPOBSA-N 323.418 3.615 0 40 DHAB COc1cc(C(=O)Oc2cccc(Cl)c2)cc(OC)c1OC 7658345 IZNNYPZXFHSAPY-UHFFFAOYSA-N 322.744 3.585 0 40 DHAB Cc1nn(-c2ccc(Cl)cc2)c2c1c(=O)[nH]c1ccccc12 8652743 IJIAUNGJHQRZLW-UHFFFAOYSA-N 309.756 3.829 0 40 DHAB CCCCN(C)c1ncnc2c1cnn2-c1cc(C)cc(C)c1 9627508 WKUGEGAEPFCJSY-UHFFFAOYSA-N 309.417 3.669 0 40 DHAB Cc1cc(C)c(NC(=O)CCc2ccc3c(c2)OCO3)c(C)c1 10404637 XOEXJJSDQSDZND-UHFFFAOYSA-N 311.381 3.912 0 40 DHAB Cc1ccc(OCC(=O)N(C)c2ccccc2)c2c1[C@H](C)CC2=O 11052226 XNDGJPUDYWVWNU-CQSZACIVSA-N 323.392 3.727 0 40 DHAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cccc(F)c1 11613445 HHAOBXNOZZHWAJ-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB CC1CCN([C@@H](C)CNC(=O)Nc2cccc(Cl)c2)CC1 12223537 IHOSEXFZLLQUKJ-ZDUSSCGKSA-N 309.841 3.582 0 40 DHAB CCC[C@@H](C)NC(=O)c1csc(COc2ccc(F)cc2)n1 12905707 BTCVNQHBWDXEQM-LLVKDONJSA-N 322.405 3.780 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 12974617 REBHLRFUBIMJTH-NSHDSACASA-N 313.426 3.743 0 40 DHAB O=c1[nH]cccc1-c1nc2ccccc2n1Cc1ccc(F)cc1 13125644 IGKOGKPXSVCLLY-UHFFFAOYSA-N 319.339 3.579 0 40 DHAB Cc1ccccc1C(=O)NCCSCc1ccccc1F 13672195 JSUQMQNZAUCPNV-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB CC(C)c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 13937908 LFSKJQQTEKPOKH-UHFFFAOYSA-N 323.845 3.942 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(OC(F)F)cc1 14117029 UUPXPBHWCJEXFC-ZZUQXNNYSA-N 309.356 3.996 0 40 DHAB COC(=O)c1cccc(Oc2ccc(N)cc2C(F)(F)F)c1 14630233 YDJWBQOJCRGGGK-UHFFFAOYSA-N 311.259 3.867 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1ccco1 14702258 HHNVDSHTRJEPHS-UHFFFAOYSA-N 309.369 3.653 0 40 DHAB O=C(Cc1cc(-c2ccccc2F)on1)N1CCc2ccccc21 16847151 GTXJZHHWFPDDQH-UHFFFAOYSA-N 322.339 3.613 0 40 DHAB Cn1ccnc1-c1cnc(N2CCCCCC2)nc1-c1ccco1 19291791 DKTXQIAXTXBONC-UHFFFAOYSA-N 323.400 3.518 0 40 DHAB COc1ccc(Cn2c([C@@H]3CCCNC3)cc3cccnc32)cc1 19555995 QJADJHZHIJQITA-QGZVFWFLSA-N 321.424 3.560 0 40 DHAB CC[C@@H](C)N1CCN(Cc2ccccc2C(F)(F)F)CC1 19889625 SUEGNHBVKRMQOH-CYBMUJFWSA-N 300.368 3.622 0 40 DHAB COc1cc(NC(=O)c2ccc(N)c(C)c2)c(OC)cc1Cl 20220836 PAZFRWSMHJVPRS-UHFFFAOYSA-N 320.776 3.500 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)NC1CCCCC1 20540570 QKOHMMASGGHFEY-QGZVFWFLSA-N 302.418 3.705 0 40 DHAB O=C(CCc1ccccc1Cl)Nc1nnc(C2CC2)s1 21359947 DZGJRVIUVJLXNR-UHFFFAOYSA-N 307.806 3.640 0 40 DHAB CCN(CC)[C@@H](CNC(=O)c1ccoc1)c1ccccc1Cl 22681876 GKNRJLUYECNCCB-INIZCTEOSA-N 320.820 3.746 0 40 DHAB COc1ccc(-n2c(SCCCO)nc3ccccc32)cc1 25041383 JWGRHWQJGGYTIH-UHFFFAOYSA-N 314.410 3.509 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 25727458 SMYKNLBAQOXLOX-ZYHUDNBSSA-N 312.335 3.900 0 40 DHAB COc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 30697875 KGBITJAKXSMOTK-UHFFFAOYSA-N 321.380 3.501 0 40 DHAB COc1ccc(CN2COc3c(cc(C)c4cccnc34)C2)cc1 31750089 UHZFROOPBQWGTM-UHFFFAOYSA-N 320.392 3.904 0 40 DHAB O=C(Cn1ccc2ccc(F)cc21)NCCCc1ccccc1 32073246 BDZMTPUSFZRNCB-UHFFFAOYSA-N 310.372 3.529 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(N3CCCC3)cc2)cc1 32610251 UXESDAHYGSQKMK-UHFFFAOYSA-N 311.385 3.939 0 40 DHAB Cn1ccc2c(C(=O)Nc3cc(F)c(F)c(F)c3)cccc21 40286864 SAXPTGIENFEJLI-UHFFFAOYSA-N 304.271 3.848 0 40 DHAB O=C(c1ccc(Cl)nc1)c1c(F)c(F)c(F)c(F)c1F 45038906 IBGJLRNTAAFHOY-UHFFFAOYSA-N 307.605 3.662 0 40 DHAB c1ccc(-c2cc(COc3cccc(-c4nnco4)c3)no2)cc1 45878254 OMFHIIYMFUTSCH-UHFFFAOYSA-N 319.320 3.971 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 48273972 DUAXXSFURMFPNA-SJORKVTESA-N 310.441 3.933 0 40 DHAB Cc1nc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)sc1C 56555149 HOIFFLDWIPVNSB-CYBMUJFWSA-N 305.378 3.708 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 59351099 LGSUDEUKERYTSS-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1cccs1 65434087 YLSKVBYGJXJZIR-OCCSQVGLSA-N 304.415 3.819 0 40 DHAB CC(C)C[C@@H](C)N(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 69118043 XUCVUCASFWWXQU-SNVBAGLBSA-N 319.430 3.505 0 40 DHAB C[C@@H]1CCc2c(sc3ncnc(N4CCCSCC4)c23)C1 69351989 ZXVGBQJWHDEHBT-LLVKDONJSA-N 319.499 3.759 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(C)cc2F)c(OC)c1 71326056 QUNBRPVLFZLOTL-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 72214452 LCHWPDLITQNXHN-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB CC(C)c1nc([C@H]2CCCN([C@@H](C)c3ccncc3)C2)no1 72277657 DODPYHNGMGGWHD-ZFWWWQNUSA-N 300.406 3.529 0 40 DHAB O=C(NC[C@@H](O)C1CCCCC1)C1(c2cccs2)CCCC1 75155607 LHHKCWUWDMELJV-OAHLLOKOSA-N 321.486 3.617 0 40 DHAB O=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CSCCS1 75572388 JYAQQVVVPRQCFX-GFCCVEGCSA-N 322.480 3.597 0 40 DHAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(Cl)c1 76056533 VONAIJUBCQOQJP-GDZNZVCISA-N 320.864 3.638 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(Cl)c2)cc1 78578931 PHIZNJKSODZPPH-CYBMUJFWSA-N 303.789 3.846 0 40 DHAB CC(C)c1ccc([C@@H](NC(=O)NC2CCOCC2)C(C)C)cc1 80086671 JWWKNFDALRAECU-SFHVURJKSA-N 318.461 3.985 0 40 DHAB O=C(CCCc1ncc(-c2ccccc2)o1)N1C[C@H]2CCC[C@H]2C1 84562995 KXLLHACHRXZRPO-CALCHBBNSA-N 324.424 3.923 0 40 DHAB CC(=O)N(C)c1ccccc1NCc1ncc(C(C)(C)C)o1 85277849 RWVSFOQSRUHUBM-UHFFFAOYSA-N 301.390 3.567 0 40 DHAB CCOCCNCc1ccc(Br)c2ccccc12 85391741 GXTIYDQTLOZUEW-UHFFFAOYSA-N 308.219 3.728 0 40 DHAB Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(Cl)cc1 94993451 VFAGQYKCERFUEW-UHFFFAOYSA-N 302.713 3.833 0 40 DHAB Cc1cc(Br)cnc1NC(=O)CSC(C)(C)C 95427996 AAHHYCXLVLLXAD-UHFFFAOYSA-N 317.252 3.623 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 95937472 SLDUJJSRLZDAIX-IBGZPJMESA-N 316.445 3.520 0 40 DHAB O=C(NCCc1ccccn1)[C@H]1C[C@H]1c1cccc2ccccc12 96404779 XHUPBAUHPCJXNU-PMACEKPBSA-N 316.404 3.697 0 40 DHAB O=[S@@](Cc1ccccc1)Cc1ncc(Cl)cc1Cl 97148216 GAVXONFOFAMJNF-GOSISDBHSA-N 300.210 3.837 0 40 DHAB CCc1ccc(N[C@H]2CC(=O)N(c3ccccc3CC)C2=O)cc1 101275681 VVPHNUIOMNMXEZ-KRWDZBQOSA-N 322.408 3.555 0 40 DHAB Cc1ccc(C(C)(C)C)cc1[S@](=O)CC(=O)c1ccc[nH]1 107959044 GHWKXMZJSUJGPD-NRFANRHFSA-N 303.427 3.611 0 40 DHAB COc1ccccc1NC(=O)c1cnc(-c2cccc(F)c2)nc1 222623477 JAXQDZXIORYEOW-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)o3)N21 222651531 RSWOZDZCZVVNTK-VBNZEHGJSA-N 313.426 3.962 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1 224943258 CLCDOTIJTKYTHH-OAHLLOKOSA-N 309.409 3.649 0 40 DHAB CCc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)cc1 225042488 IQKXIBOXNVRSIP-INIZCTEOSA-N 304.773 3.977 0 40 DHAB COc1ccccc1C(=O)NCc1cccnc1-c1cccs1 225759116 DMRMPLXJPJFZQD-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB CCC1(NC(=S)Nc2cc(C(=O)OC)ccc2C)CCCC1 225856312 PRMBIFZBWYUVBC-UHFFFAOYSA-N 320.458 3.791 0 40 DHAB CCc1nsc(N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 273274592 ICTYSPWZNRJVBE-KGLIPLIRSA-N 321.421 3.596 0 40 DHAB CC(C)Oc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 41894 WIWGSBALHLKTPN-UHFFFAOYSA-N 310.802 3.960 0 40 DHAB O=C(COc1ccccc1)N1CCC(Cc2ccccc2)CC1 54996 FPPJFIZOEIOVKE-UHFFFAOYSA-N 309.409 3.547 0 40 DHAB CC(C)c1ccccc1NC(=O)/C(Cl)=C(\Cl)C(=O)O 1614039 CYEBARRAYUCJNW-ZHACJKMWSA-N 302.157 3.522 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nccs1 3131790 RHKFJQSZLZUIMQ-ZETCQYMHSA-N 317.197 3.856 0 40 DHAB CCOc1ccc(-c2nnc3n2N[C@@H](c2ccccc2)S3)cc1 3843243 BABRQWMNLGWXRI-MRXNPFEDSA-N 324.409 3.692 0 40 DHAB biogenic Cc1ccc(C(=O)c2c[nH]nc2-c2cc(Cl)ccc2O)cc1 4102463 JEMOKNWRGGZHTL-UHFFFAOYSA-N 312.756 3.975 0 40 DHAB CCC(CC)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 4156391 DLQKLCVMLYQWFW-UHFFFAOYSA-N 309.431 3.788 0 40 DHAB Cc1ccsc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 5967254 MQUNGKUCVMDYPT-GFCCVEGCSA-N 314.406 3.973 0 40 DHAB CCCCCC(=O)Nc1ccc(OC)c(Br)c1 6263998 ULEQDDBWKWNPCE-UHFFFAOYSA-N 300.196 3.977 0 40 DHAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)c1ccc(F)cc1 6916557 VQYXWWBRMAOZBU-LLVKDONJSA-N 318.369 3.960 0 40 DHAB O=C(CSc1nccn1Cc1ccccc1)Nc1ccccc1 7391501 PLJFOJATQGOOCV-UHFFFAOYSA-N 323.421 3.662 0 40 DHAB Cc1cc(C)c2nc(SCC(=O)N3CCCC3)cc(C)c2c1 7979120 XCVDYTQPLZOFNE-UHFFFAOYSA-N 314.454 3.875 0 40 DHAB Cc1ccc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 12853377 SCDZEEALMKXOFQ-UHFFFAOYSA-N 316.788 3.646 0 40 DHAB COc1ccc(C2=C(N)Nc3ccccc3N=C2C)cc1OC 13637103 ZKRWZTXUDUXVHH-UHFFFAOYSA-N 309.369 3.549 0 40 DHAB Cc1ccc(CS(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 13668267 JGFZGBLMTYHSHH-INIZCTEOSA-N 317.454 3.792 0 40 DHAB C[C@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc23)C1 14111901 VPNDAHHSDDTRQJ-JTQLQIEISA-N 321.218 3.803 0 40 DHAB Cc1c(C(=O)CSc2nnc(C3CC3)o2)oc2ccccc12 14141914 WPRGLQNAADAZDB-UHFFFAOYSA-N 314.366 3.977 0 40 DHAB COc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1OC 14796972 UGSPUIQZMIPZFG-UHFFFAOYSA-N 311.381 3.835 0 40 DHAB CC(C)CCCCCCCCCCCC(=O)OC[C@H](O)CO 15261758 CALSYPDGGJMMDZ-QGZVFWFLSA-N 316.482 3.830 0 40 DHAB biogenic,in-vitro CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccco1 20045771 KMCQSWCQYZJBDN-GOSISDBHSA-N 309.365 3.907 0 40 DHAB Cc1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1C 20899444 PFUBXZFZQOCQMW-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB CC(C)NCC[C@@H](c1ccccc1)c1cc(C(=O)O)ccc1O 22053992 LXKJBTVDQUGPBU-INIZCTEOSA-N 313.397 3.610 0 40 DHAB in-vitro COc1ccccc1CN(C)C(=O)Cc1ccc(Cl)cc1 22528773 ORBDEEULIUNYIW-UHFFFAOYSA-N 303.789 3.550 0 40 DHAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 24758962 NQGCXQLMKPGILI-GOSISDBHSA-N 308.381 3.704 0 40 DHAB CCc1ccc(N2CCCN=C2NC(=O)c2ccc(C)cc2)cc1 28534951 RAFAHSZXZAMXGE-UHFFFAOYSA-N 321.424 3.554 0 40 DHAB Cc1cc2cc(NS(=O)(=O)c3ccc(F)cc3C)ccc2[nH]1 31721848 DBUBTECYLDFXBW-UHFFFAOYSA-N 318.373 3.725 0 40 DHAB Fc1ccc(-c2nnc3n2N=C(C2CCCCC2)CS3)cc1 32604237 OXEAVSHXQMYURD-UHFFFAOYSA-N 316.405 3.974 0 40 DHAB CCOC(=O)N[C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C 32912170 KQGGXGQIWDCVBS-OAHLLOKOSA-N 306.406 3.519 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(c2ccccc2)=NO1 33149320 COUHDOLLNWCSAE-MRXNPFEDSA-N 314.772 3.780 0 40 DHAB C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)c1cccs1 40121054 GBWRMIYEESQEAG-GFCCVEGCSA-N 316.430 3.626 0 40 DHAB O=C(Nc1ccc(F)cc1)N(Cc1cccc(O)c1)C1CC1 40135581 YVZOEESLVFOZJB-UHFFFAOYSA-N 300.333 3.728 0 40 DHAB COc1ccc2oc(C)c(C(=O)Nc3ncc(C)s3)c2c1 41156412 XJVRUYOQGIZGHY-UHFFFAOYSA-N 302.355 3.767 0 40 DHAB O=C(Cc1noc2ccccc12)N1CCC[C@H]1c1ccsc1 44940635 YYKQMNAVIKGZHK-HNNXBMFYSA-N 312.394 3.796 0 40 DHAB CSc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 48356489 XHWZRTIOLHRSHJ-UHFFFAOYSA-N 320.439 3.527 0 40 DHAB O=c1ccc(-c2ccccc2)nn1CN1CCC[C@@H]1C1CCCC1 57091314 BDVRRMQFLRJPEA-LJQANCHMSA-N 323.440 3.522 0 40 DHAB COC(=O)c1cnc(/C=C/c2ccc(Br)cc2)s1 58172516 KBDYEPUBMSOIAN-QPJJXVBHSA-N 324.199 3.863 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)Cc1cccc(Cl)c1 67908686 ZZMVGJJDIDQSES-UHFFFAOYSA-N 305.809 3.915 0 40 DHAB C[C@H](c1ccc2c(c1)CCO2)n1c(=S)[nH]c2ccccc2c1=O 84651773 LDEIYBBJHQCZHX-LLVKDONJSA-N 324.405 3.603 0 40 DHAB C[C@H](c1ccco1)N(C(=O)c1cc(-c2ccco2)[nH]n1)C1CC1 84661216 VFZZERSJXWVDME-LLVKDONJSA-N 311.341 3.629 0 40 DHAB COc1ccccc1OCc1ccccc1NCc1ncc[nH]1 95428683 KZCMMDYUQBVWSO-UHFFFAOYSA-N 309.369 3.609 0 40 DHAB Cn1cc(CNc2ccc3c(Cl)ccc(Cl)c3n2)cn1 95985551 XGOCCQNUQYBITQ-UHFFFAOYSA-N 307.184 3.887 0 40 DHAB C[C@@H](NC(=O)CCCOc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999236 WLHLXJWNOQGCPP-KONPQCLYSA-N 301.430 3.787 0 40 DHAB Cn1cccc1[C@H]1CCCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2 107489093 RXEHSKKJKXPXAL-NBOOPKSLSA-N 300.446 3.905 0 40 DHAB COc1ccc(C(=O)O)cc1OC(=O)c1cccc2ccccc12 216943143 NMCJUTFCXBRYHQ-UHFFFAOYSA-N 322.316 3.766 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc2c(c1)CCCC2 224313860 BEWPBIPAINZHTI-HNNXBMFYSA-N 321.420 3.922 0 40 DHAB CC(C)NC(=O)c1cc(N)ccc1NCCC1=CCCCC1 225456949 PJXQIOIRFLVKTR-UHFFFAOYSA-N 301.434 3.709 0 40 DHAB CO[C@H](CNC(=O)c1cc(C)oc1C)c1ccc(Cl)s1 225700243 RJSMVJPDDXIYHF-LLVKDONJSA-N 313.806 3.729 0 40 DHAB CC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 225905019 IQWZSYOPKQLFJY-OAHLLOKOSA-N 322.880 3.714 0 40 DHAB O=C(O)/C=C/c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 226322538 ACMVIGMLTUIJEC-RMKNXTFCSA-N 315.756 3.619 0 40 DHAB CCCN(CCC)c1ccc(N)cc1C(=O)N1CCC[C@@H](C)C1 226323611 HPNXAILCGWDJBI-OAHLLOKOSA-N 317.477 3.767 0 40 DHAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCCC3CCCCC3)C2)n1 257203010 AOGUFXRYFQMMOZ-MRXNPFEDSA-N 303.450 3.785 0 40 DHAB CC1(CC(=O)N[C@H](CO)c2cccc(Cl)c2F)CCCC1 585084736 FAUARMBAVPJOGE-CYBMUJFWSA-N 313.800 3.599 0 40 DHAB FC(F)c1nnc2ccc(N3CCCC[C@@H]3CC3CCC3)nn12 585099542 SOLOCTKXQVSRFE-GFCCVEGCSA-N 321.375 3.611 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@H](c2ccccc2)c2nc[nH]n2)o1 585116683 FPBBWRVUJVZQFD-RPVQJOFSSA-N 322.412 3.743 0 40 DHAB C[C@H]1CC[C@@](C)(CNC(=O)Nc2cn(C)nc2C2CC2)C1(C)C 667127657 OKHATOAEJOMSNM-SGTLLEGYSA-N 318.465 3.881 0 40 DHAB Cc1cn(C)c([C@@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)n1 1848352208 HPEMOSDPYCXLHH-QGZVFWFLSA-N 308.429 3.589 0 40 DHAB CCOc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 38168 GPEFVBWQQBDXEM-MSOLQXFVSA-N 320.396 3.823 0 40 DHAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)c1C 252194 RIUFEHMLDYOBHB-HNNXBMFYSA-N 319.408 3.711 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1cccc(Cl)c1C 560071 ZTNNHKJFWWVFOU-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB O=C(COc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 1749817 WJVIAXJQUQFZMA-UHFFFAOYSA-N 310.180 3.689 0 40 DHAB O=C(/C=C/c1cccs1)OCc1nnc(-c2ccccc2)o1 2643188 PHKUGERSYVIYQX-CMDGGOBGSA-N 312.350 3.555 0 40 DHAB C[C@@H]1CN=C(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 3024890 MMRNHFGQOYNUCE-SSDOTTSWSA-N 318.229 3.948 0 40 DHAB OC1CCC(Nc2ncnc3sc4c(c23)CCCCC4)CC1 3358381 DPUWWVUYXUKSAH-UHFFFAOYSA-N 317.458 3.676 0 40 DHAB Cc1ccc(N2N3C(=O)O[C@]4(C)CC[C@H](C2(C)C)[C@@]34C)cc1 4143857 GENIPKLLJWZBFJ-ZTFGCOKTSA-N 300.402 3.888 0 40 DHAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1 4242662 NPWAMYCCOFXXHD-SECBINFHSA-N 309.774 3.586 0 40 DHAB Cc1cccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 4664524 CKWXZHFNIIEFQE-UHFFFAOYSA-N 313.441 3.767 0 40 DHAB CCC(CC)NC[C@@H](O)COc1ccc(OC)cc1C(C)(C)C 6941031 LKHPRSIVYNTDCO-OAHLLOKOSA-N 323.477 3.511 0 40 DHAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)N(C)Cc1ccccc1 7242368 AOYRQYYBXLLWLA-OAHLLOKOSA-N 308.425 3.634 0 40 DHAB O=C(Nc1nnc(-c2ccccc2)o1)c1cc2ccccc2o1 7613813 LJTNLJXAVNVMTM-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)cc2)CC1=O 7881952 RHVKUHWNXLCWBM-INIZCTEOSA-N 322.408 3.549 0 40 DHAB Cc1nc(Nc2ccc(Br)cc2)sc1C(=O)O 8024656 BHUGJXNXMIEUPC-UHFFFAOYSA-N 313.176 3.656 0 40 DHAB COCCNCc1ccc(OCc2ccccc2Cl)cc1 8469193 TZUXLDJVPIZZFO-UHFFFAOYSA-N 305.805 3.655 0 40 DHAB CCc1cccc(C)c1NC(=S)NC(=O)c1cccc(F)c1 9064038 PRQBBNALXIMEFN-UHFFFAOYSA-N 316.401 3.823 0 40 DHAB CN(CCc1ccccn1)C(=O)c1cc2cc(Cl)ccc2o1 9322728 NTYYWUFLKSFHMW-UHFFFAOYSA-N 314.772 3.796 0 40 DHAB CC(C)(C)c1ccc(OCc2nnnn2-c2ccccc2)cc1 9420961 YRCZWNLOOOGURD-UHFFFAOYSA-N 308.385 3.539 0 40 DHAB O=c1[nH]c2ccc(-c3csc(Cc4ccccc4)n3)cc2o1 9645731 AVECASIQWUYWTL-UHFFFAOYSA-N 308.362 3.835 0 40 DHAB CCc1ccc(CCC(=O)Nc2ccc(OC)cc2OC)cc1 10338475 BUWVVDKSPNYRPX-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB Cc1ccc(NC(=O)CCc2c(C)nn(C)c2C)c(Cl)c1 10510057 YRSILBPBVITUBX-UHFFFAOYSA-N 305.809 3.570 0 40 DHAB COc1ccc(C(=O)Nc2nc3nc(C)cc(C)c3s2)cc1 11666326 GIJUHUKKSPNAHO-UHFFFAOYSA-N 313.382 3.569 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(C)ccc2O)c(OCC)c1 12137301 AJZVCNNBOIGGFY-UHFFFAOYSA-N 315.369 3.750 0 40 DHAB O=Cc1nc(-c2ccc(Br)cc2)n2ccccc12 12249755 JJZCPRKQQQVCFO-UHFFFAOYSA-N 301.143 3.576 0 40 DHAB C[C@@H](NCc1nc(N)c2ccccc2n1)c1ccccc1Cl 12548868 HUMFJBRRYGLBJC-LLVKDONJSA-N 312.804 3.716 0 40 DHAB O=C(Nn1cnc2ccccc21)c1cc(Cl)cc(Cl)c1 12558894 GDCDGPZNFGOTKV-UHFFFAOYSA-N 306.152 3.727 0 40 DHAB O=C(CSc1nc(NC2CC2)c2ccccc2n1)c1ccc[nH]1 12602011 SFAKIQQQVYABDM-UHFFFAOYSA-N 324.409 3.507 0 40 DHAB Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cnn1C 12774322 OCOIVHHLIGJPOM-UHFFFAOYSA-N 317.698 3.653 0 40 DHAB Cc1ccc2oc(=O)c(-c3nc(-c4ccccc4F)no3)cc2c1 12879972 NNLRXWGARDPHRO-UHFFFAOYSA-N 322.295 3.958 0 40 DHAB C[C@@H]1CCC[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)[C@@H]1C 12901037 NIVFFJPVZVBVHH-LBTNJELSSA-N 319.470 3.718 0 40 DHAB O=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 13439489 JPVSDDMDSUXAOX-BJMVGYQFSA-N 315.756 3.619 0 40 DHAB CSc1nnc2c3sc4c(c3nc(SC)n12)CCCC4 13681790 UFAJJGLTCUTQJB-UHFFFAOYSA-N 322.484 3.662 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccsc2)c1 14140381 HAUTWHGSACVSIY-OAHLLOKOSA-N 317.410 3.743 0 40 DHAB COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1Cl 20352548 ZCGZXXJMVBIDTB-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB C[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@H](C)O1 26807634 LDYHDDUMKHKVKO-RYUDHWBXSA-N 306.793 3.604 0 40 DHAB Cc1ccccc1Cn1ccc(NC(=O)Cc2ccc(F)cc2)n1 28226639 KWEGJYBKSUGHSH-UHFFFAOYSA-N 323.371 3.560 0 40 DHAB O=C(Nc1cccc(F)c1)c1ccc(OC[C@H]2CCCO2)cc1 28700173 BVFHUCVOTPEQLR-QGZVFWFLSA-N 315.344 3.636 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@@H]1C 31864609 AWVRPQOJDUMTLQ-NSHDSACASA-N 301.415 3.528 0 40 DHAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccccc1F 32027829 WAGHMKRDBIRESS-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB O=C(Cc1ccccc1F)Nc1nc(-c2ccco2)cs1 40111393 KJQHBJZMBRWSJI-UHFFFAOYSA-N 302.330 3.723 0 40 DHAB C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CCSc2ccccc21 48253715 CAOGGRJYXQDYGS-SWLSCSKDSA-N 316.426 3.747 0 40 DHAB Cc1cnc(NC(=O)c2cccnc2SC(F)(F)F)s1 49464040 HHEXKLYTXHIFGZ-UHFFFAOYSA-N 319.333 3.711 0 40 DHAB CC(C)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 57699653 SQINCGHCDWGXAH-UHFFFAOYSA-N 303.427 3.631 0 40 DHAB O[C@H](COCc1cccs1)CN1CCC[C@H]1c1ccsc1 58581645 KQJHYRJEUXJJMC-HOCLYGCPSA-N 323.483 3.524 0 40 DHAB Clc1ccccc1OCCn1cc([C@@H]2CC=CCC2)nn1 67947341 UZGPGTZBORIVNP-CYBMUJFWSA-N 303.793 3.834 0 40 DHAB Cc1cc(C)cc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 68050000 UFUXAWUVDOMBFQ-OAHLLOKOSA-N 313.401 3.691 0 40 DHAB CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(COC)cc1 71916090 PJZXTBQEQLBBEA-GOSISDBHSA-N 312.413 3.841 0 40 DHAB CCOc1ccc(-c2cc(-c3ccc(F)cc3)nc(N)n2)cc1 71977675 PLMVJIBXXFNJEX-UHFFFAOYSA-N 309.344 3.931 0 40 DHAB O[C@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 72225769 ICCBLOPQFMVVEV-OAQYLSRUSA-N 316.404 3.726 0 40 DHAB Cc1cccc(Nc2ccc([C@@H]3CCCN3C(=O)C(C)C)nc2)n1 72353026 YAVPJPWCYNMTLD-KRWDZBQOSA-N 324.428 3.848 0 40 DHAB CC(C)N1CCC[C@H](Cc2cncc(Br)c2)CC1 72366096 QLPJJMVBBPFKRH-ZDUSSCGKSA-N 311.267 3.897 0 40 DHAB Fc1cnccc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 73144673 GJXQVABYJRANOE-UHFFFAOYSA-N 324.359 3.928 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2cccs2)CC1 75157027 OARPLJZLXMZHCR-CQSZACIVSA-N 315.438 3.922 0 40 DHAB COc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)nn2)cc1 84139392 NOKBRCVEZYFCBL-VIFPVBQESA-N 308.790 3.502 0 40 DHAB FC(F)(F)c1ccc2oc(CSc3nncs3)nc2c1 89800398 PVFXYQFKGAZEFU-UHFFFAOYSA-N 317.317 3.990 0 40 DHAB Cc1nc(CN(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)no1 95412468 WJPKBTHDKYMGMI-LBPRGKRZSA-N 319.714 3.767 0 40 DHAB COC(=O)CN1CCc2ccsc2[C@H]1c1ccccc1Cl 95921531 KLDKOFAUCQHGNF-OAHLLOKOSA-N 321.829 3.522 0 40 DHAB CCC1CCC(NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)CC1 97074671 GZJACAPSEUKQCL-UHFFFAOYSA-N 322.836 3.672 0 40 DHAB Cc1nn2c(O)c3c(nc2c1-c1ccc(Cl)cc1)CCCC3 102672987 HWYXBEJXKKDADV-UHFFFAOYSA-N 313.788 3.943 0 40 DHAB Cc1ccc(OCC(=O)n2cc(C=O)c3ccccc32)c(C)c1 218736552 MYDRROJDRQAWLV-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB FC(F)(F)Oc1cc(Cl)ccc1I 221535581 DUODVRGIROJIBV-UHFFFAOYSA-N 322.451 3.843 0 40 DHAB COC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCC1 225626917 PQXTYLLPYWSDNH-UHFFFAOYSA-N 305.418 3.928 0 40 DHAB CNc1cc([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)ccn1 257301086 RWXYKNKIJMFFLZ-CQSZACIVSA-N 315.442 3.513 0 40 DHAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCCN[C@@H]3C[C@H]21 257324470 WOULBJNZQBOPOU-XOUADPBQSA-N 307.821 3.709 0 40 DHAB Cc1n[nH]cc1C1CCN(c2nccc3ccc(F)cc23)CC1 561322257 ZJNFMNDQKVNTOA-UHFFFAOYSA-N 310.376 3.789 0 40 DHAB O=C(NCc1ccc(-c2ccco2)o1)c1c(F)cccc1F 575609426 UYNCNOCQDHUROY-UHFFFAOYSA-N 303.264 3.748 0 40 DHAB CCOC[C@@H]1CCN(Cc2cc3nc(Cl)ccc3s2)C1 583651052 GBHBAMCNSQPULA-LLVKDONJSA-N 310.850 3.808 0 40 DHAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1 131819 DEDBSCOHCDYMQJ-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB COc1ccc(CCNc2ncnc3c2[nH]c2ccccc23)cc1 522655 KAJUUTYPWQNOSN-UHFFFAOYSA-N 318.380 3.774 0 40 DHAB Cc1ccc(NC(=O)c2ccc(CO)cc2)c(Br)c1 2627256 DCOPJRFOJDREIY-UHFFFAOYSA-N 320.186 3.502 0 40 DHAB CCOC(=O)N[C@H]1Cc2ccccc2[C@H]1Sc1ccccn1 3048239 HYEHRBPZEDEHPY-GOEBONIOSA-N 314.410 3.586 0 40 DHAB O=C(Cc1ccccc1F)Nc1ccccc1N1CCCCC1 3603653 LEKYXDHLPQWSBT-UHFFFAOYSA-N 312.388 3.997 0 40 DHAB COc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1 5744540 QVPQTKFWJUBFQC-UHFFFAOYSA-N 321.376 3.657 0 40 DHAB COc1ccccc1C(=O)O[C@H](C)C(=O)c1ccc(C)c(C)c1 5838065 PDVJBXVUIKXKPQ-CQSZACIVSA-N 312.365 3.740 0 40 DHAB COc1ccccc1-c1nc(O)c2c(n1)Oc1ccc(C)cc1C2 6748468 HJLDNTHYBLAMSC-UHFFFAOYSA-N 320.348 3.863 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(F)cc(F)c1 6978449 MONOEKBZDOJLFR-GOSISDBHSA-N 324.330 3.879 0 40 DHAB CC[C@H]1CCCCN1Cn1nc(-c2ccccc2)[nH]c1=S 6996534 VCVRRUKVRDGVID-AWEZNQCLSA-N 302.447 3.830 0 40 DHAB CC[C@H](C)NC[C@H](O)COc1cc(C)c(Cl)cc1C(C)C 7015566 SLEVKNBKEAGVQC-KBPBESRZSA-N 313.869 3.900 0 40 DHAB CC1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1 7077852 BVYXXIVMEIHTMO-UHFFFAOYSA-N 310.441 3.692 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 8496039 HKIJUPRYDJXSGC-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccccc2)c1 10444245 HTYDQYDQKFSLNZ-UHFFFAOYSA-N 311.381 3.743 0 40 DHAB Cc1ccc([C@@H]2C[C@H](c3ccccc3C)n3nc(N)nc3N2)cc1 12469299 ZVZGXJRCSKRLIN-DLBZAZTESA-N 319.412 3.623 0 40 DHAB aggregator COc1ccc([C@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)cc1 12528645 QURSCCBBJLVTQI-LJQANCHMSA-N 324.424 3.739 0 40 DHAB O[C@H](Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1 12556586 FIAVCICJGQPUTM-QGZVFWFLSA-N 321.405 3.893 0 40 DHAB CCCCCOc1ccc(S(=O)(=O)N(C)C)c2ccccc12 12998443 UEPUGVOZEZHDIZ-UHFFFAOYSA-N 321.442 3.659 0 40 DHAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1cc(F)ccc1F 14187946 JCJAWLLBYQEIGJ-LLVKDONJSA-N 322.330 3.735 0 40 DHAB CC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)s1 14245269 YTOYPGYRMIWFKQ-LBPRGKRZSA-N 301.411 3.702 0 40 DHAB Cn1c(Cc2ccccc2)nnc1SCc1ccccc1F 17052456 JWZDVQOJDYOPAD-UHFFFAOYSA-N 313.401 3.837 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2c(F)cccc2F)c(Cl)c1 23043399 CHUWNAYPEPZJRA-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB COCc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 25822940 SOYVAXUADGOTCC-UHFFFAOYSA-N 313.397 3.974 0 40 DHAB C[C@@H](Nc1nc2ccccc2s1)C(=O)N1CCc2ccccc21 26456723 IPZLBTIZTIKGGK-GFCCVEGCSA-N 323.421 3.686 0 40 DHAB C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 28384084 GGAWBWZDPWNXQA-IAQYHMDHSA-N 322.330 3.583 0 40 DHAB Cc1occc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 31127875 WBDVHDAQUIDSHJ-ZDUSSCGKSA-N 310.353 3.749 0 40 DHAB CN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCCCC1 40023418 UTWVRIVOPIJKEM-UHFFFAOYSA-N 319.836 3.503 0 40 DHAB Cn1ccc2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc21 40288214 PTZYKICTEJFICY-UHFFFAOYSA-N 304.271 3.848 0 40 DHAB CC(C)c1noc([C@@H]2CCCCN2C(=O)Cc2cccs2)n1 41124179 KVUVCIMXTQNRAU-ZDUSSCGKSA-N 319.430 3.551 0 40 DHAB CC(C)CC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 54314307 KLYDKFACLIUAMX-UHFFFAOYSA-N 309.837 3.551 0 40 DHAB O=C(C=C1CCCCC1)NCc1ccnc(OC2CCCC2)c1 55994037 DDBMYXFHPZCGCH-UHFFFAOYSA-N 314.429 3.910 0 40 DHAB C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(-n2cccc2)cc1 58282171 STXWRRQHVJAEPC-HNNXBMFYSA-N 305.381 3.706 0 40 DHAB Oc1ccccc1-c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 64874547 NEZBCEAAYFFQMT-UHFFFAOYSA-N 305.259 3.863 0 40 DHAB Cn1cc([C@H]2CCCN2Cc2csc(C(C)(C)C)n2)cn1 71797211 SPOUTHROMIIPFC-CQSZACIVSA-N 304.463 3.511 0 40 DHAB CCN(C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72212753 UKSDBCSFXFRGAC-GOSISDBHSA-N 323.440 3.905 0 40 DHAB Fc1ccc(-c2cc(N3C[C@@H]4CCC[C@H]3C4)n3nccc3n2)cc1 72422168 AGAWRSMLFPXVJJ-CJNGLKHVSA-N 322.387 3.914 0 40 DHAB CCN(C(=O)C1CCOCC1)[C@H](Cc1ccc(C)cc1)C1CC1 75147853 XMNVUNDZIIAIOR-LJQANCHMSA-N 315.457 3.591 0 40 DHAB CCCN(C(=O)c1ccc(OC)nn1)c1cccc2ccccc12 78091712 FBLBARGXKGQJGJ-UHFFFAOYSA-N 321.380 3.695 0 40 DHAB Cc1cc(C(=O)CSC2=N[C@@H](C)CS2)c(C)n1C1CC1 89524114 DRINSWQBSHJLIE-VIFPVBQESA-N 308.472 3.847 0 40 DHAB Cc1noc([C@@H](C)SCc2cnn(-c3ccccc3)c2)n1 89718585 WTFTYWOFMUFYEH-LLVKDONJSA-N 300.387 3.558 0 40 DHAB COc1ccc([C@@H](C)N[C@@H](C)c2cccc(-n3cncn3)c2)cc1 95423553 SVUWTKHIJQWCLK-CABCVRRESA-N 322.412 3.688 0 40 DHAB C[C@H](NC[C@]1(O)CCSC1)c1ccc(SC(F)F)cc1 95423578 NMHVTMVTORETAE-IINYFYTJSA-N 319.442 3.520 0 40 DHAB Cc1nccn1CCOc1ccccc1C(=O)Nc1ccccc1 95460313 PGBIGBOBHDGBFM-UHFFFAOYSA-N 321.380 3.523 0 40 DHAB C[C@@H](NC[C@](C)(O)c1ccsc1)c1nc2ccccc2s1 95968351 RFEAHHHXQUKTMJ-BZNIZROVSA-N 318.467 3.916 0 40 DHAB C[C@@H](C(=O)N(Cc1cccs1)C1CC1)[C@@H](N)c1ccccc1 96467584 AWRBBEVNXAUPRZ-CXAGYDPISA-N 314.454 3.575 0 40 DHAB C[C@@H](NC[C@@]1(CCO)CCOC1)c1cc2cc(Cl)ccc2o1 96493448 GVEBJMUZFXQCTI-SJKOYZFVSA-N 323.820 3.526 0 40 DHAB CC(C)COc1c(C(=O)O)oc2ccc(Br)cc12 96510845 JKEFKPRHJSZIMS-UHFFFAOYSA-N 313.147 3.928 0 40 DHAB C[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccs1 97234407 GCWAVGBKHZGBPO-GXTWGEPZSA-N 318.446 3.512 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@@H]3C[C@]13CC[C@H]2C[C@H]1CCCC[C@]13O4 100151205 NYWUQKFITQFOEY-LYPURALISA-N 304.430 3.741 0 40 DHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@H]1[C@@H]2C 100537452 XWHWCKHMKQSYBV-QQXMDYFESA-N 300.442 3.845 0 40 DHAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)c1ccc(F)c(F)c1 106789068 BZEBIVQVTUXHKV-NXOUGTEYSA-N 322.399 3.501 0 40 DHAB CN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)c1ccccn1 134515788 ZJCAIUJWLCAFBI-UHFFFAOYSA-N 309.344 3.503 0 40 DHAB Cc1ccc(OCC(=O)NCCCc2ccc(F)cc2)c(C)c1 222826157 YYZXLTHAUDGHPW-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)cc1 224848284 OISOTCYAFPCTPH-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB O=C(CCc1cccc2ccccc12)NCCOc1ccccc1 224939109 RKBYCCTWSRYRJU-UHFFFAOYSA-N 319.404 3.968 0 40 DHAB COc1ccc([C@H](O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225356609 FXXPDTVGZAPIQQ-SFHVURJKSA-N 314.381 3.574 0 40 DHAB COc1cccc(NC(=O)NCCCc2ccc(F)cc2)c1 225762798 VZUFBBDCOMPNRD-UHFFFAOYSA-N 302.349 3.589 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1cc(C)cc(C)c1 225993974 XDNWJYHGPUFBFL-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB Cc1cc2nnn(C(=O)CSc3ccccc3)c2cc1Cl 226359645 ASYNYLCBOYPMPZ-UHFFFAOYSA-N 317.801 3.826 0 40 DHAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccco1 226763629 KFFMPDGZNXDFGK-SNAWJCMRSA-N 321.174 3.585 0 40 DHAB O=C(c1ccc(OC(F)(F)F)cc1)C(F)(F)Br 575358910 JAOAZXDNUDWHKJ-UHFFFAOYSA-N 319.023 3.756 0 40 DHAB C[C@@H](NC[C@@H]1CCSC1)c1nc2ccccc2n1C(F)F 585079622 NNBAZWWVTZYVBS-MNOVXSKESA-N 311.401 3.835 0 40 DHAB CCCCOc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794890 RFEXRTJXXOIUIM-UHFFFAOYSA-N 323.190 3.831 0 40 DHAB Cc1cccc(-n2ncc3c(N4C[C@H](C)C[C@@H](C)C4)ncnc32)c1 74302 DLJHKUKZXUWCQO-HUUCEWRRSA-N 321.428 3.606 0 40 DHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC 178209 MYSKFIHVBLAXQI-UHFFFAOYSA-N 324.332 3.760 0 40 DHAB biogenic O=C(O)c1cccnc1SCc1cccc(Br)c1 216098 GQTAALPMHBKVEJ-UHFFFAOYSA-N 324.199 3.835 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccco1 456385 CQLAYQULWGXRQZ-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB O=S(=O)(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 1595683 LZUZNLKBDZYINO-IAGOWNOFSA-N 315.438 3.691 0 40 DHAB CCOC(=O)N[C@H]1Cc2ccccc2[C@@H]1Sc1ccccn1 3048244 HYEHRBPZEDEHPY-HOCLYGCPSA-N 314.410 3.586 0 40 DHAB Cn1cc(-c2nn(-c3ccccc3)cc2C=O)c2ccccc21 3187992 UDCYMYNSXRUYCE-UHFFFAOYSA-N 301.349 3.844 0 40 DHAB Cc1ccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1 4062599 RMFAFKWEXWIGHI-UHFFFAOYSA-N 306.365 3.617 0 40 DHAB COc1ccccc1CN1CCC(N2CCCCCC2)CC1 4553771 CNQPHFBBXVAUJT-UHFFFAOYSA-N 302.462 3.536 0 40 DHAB Cc1ccc2c(c1)cc(C(=O)N1CCc3ccccc3C1)n2C 4749260 DWRRJGGPWXIPKL-UHFFFAOYSA-N 304.393 3.685 0 40 DHAB Cc1ccc(S(=O)(=O)Oc2cccc3cccnc23)c(C)c1 4851789 YCSBIIFNNQFDAP-UHFFFAOYSA-N 313.378 3.619 0 40 DHAB COc1ccc2[nH]c(C)c(C(=O)CN3CCCC[C@@H]3C)c2c1 5030352 LSTJUJINCBOIHO-LBPRGKRZSA-N 300.402 3.542 0 40 DHAB Cc1ccc(Cl)cc1Nc1c(Cl)c(C)nc2ncnn12 6661467 SAXHNFRMCIRJCW-UHFFFAOYSA-N 308.172 3.792 0 40 DHAB CCOc1ccc(N[C@H](C)C(=O)NCC2CCCCC2)cc1 6831307 DFDPVBMGQHWIGA-CQSZACIVSA-N 304.434 3.582 0 40 DHAB Cc1ccc(C(C)C)cc1OCC(=O)NCc1cccs1 6882315 SQNYXAOUVFYJPR-UHFFFAOYSA-N 303.427 3.875 0 40 DHAB CC[C@@H](C)O[C@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O 6933929 LRVJQCMQTQIIDZ-JLTOFOAXSA-N 322.408 3.926 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 8307325 CQUXPSSVNJRRNB-OBJOEFQTSA-N 308.853 3.953 0 40 DHAB C[C@@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccn1 9616539 AOCXNHBFAJQEFE-CQSZACIVSA-N 312.388 3.910 0 40 DHAB Cc1cc(OC[C@@H](O)CSc2ccccn2)ccc1Cl 11692557 UJBKQXXBYNBJSZ-GFCCVEGCSA-N 309.818 3.575 0 40 DHAB O=C(NC[C@H](c1ccsc1)N1CCCC1)Nc1ccccc1 12355571 PGVWOJHAEYVEPT-MRXNPFEDSA-N 315.442 3.707 0 40 DHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1Cl 12927559 QMKFLEBWRNIERK-UHFFFAOYSA-N 317.772 3.683 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1cccc2ccccc12)C31CC1 13577115 FZFDSNPOONNEQV-LVYXFOGZSA-N 315.372 3.541 0 40 DHAB CCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 14012891 JRLSZHWBVGJLKF-UHFFFAOYSA-N 324.424 3.986 0 40 DHAB CN(CCOc1ccc(Br)cc1N)c1ccccc1 14630947 BGYWPZANGLPITE-UHFFFAOYSA-N 321.218 3.547 0 40 DHAB Cc1cccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 20458123 QBRMTEIENOOFPH-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB O=C(N[C@H](c1ccccc1)c1nc2ccccc2[nH]1)c1ccco1 22260286 AHZNTYZRVAFFFF-QGZVFWFLSA-N 317.348 3.675 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1F 22532462 FJJUIXGPRBREKH-NSHDSACASA-N 305.324 3.933 0 40 DHAB CCc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1 28876114 KEMJNFHSDZVXHU-NSHDSACASA-N 304.340 3.966 0 40 DHAB CC[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccc(Cl)cc1 32904104 WZTQFZUBAZLTAJ-HNNXBMFYSA-N 318.804 3.762 0 40 DHAB CC(C)c1nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2o1 40081672 JETZUTRGMVCXDY-UHFFFAOYSA-N 324.336 3.932 0 40 DHAB C[C@H](C(=O)Nc1ccccc1N(C)c1ccccc1)n1cccn1 40114548 XDOLZAVRSIPJPK-OAHLLOKOSA-N 320.396 3.851 0 40 DHAB CCOc1ccc2c(c1)cc(C(=O)NCc1cccs1)n2C 49728933 LBSUMFWBPBFBGP-UHFFFAOYSA-N 314.410 3.569 0 40 DHAB CC[C@H](OC(=O)c1csc(NC(C)=O)n1)c1ccc(F)cc1 57750041 FLGLEKSNZYSUFF-ZDUSSCGKSA-N 322.361 3.549 0 40 DHAB COc1cccc2c(C)c(C(=O)N(C)CCC(F)(F)F)oc12 69418387 ZSBWIHXQBXWNPP-UHFFFAOYSA-N 315.291 3.774 0 40 DHAB CC1CCN([C@@H](C)CNC(=O)NC2CCCCCCC2)CC1 72044360 KJIAUBMDSQGPFF-INIZCTEOSA-N 309.498 3.519 0 40 DHAB O=[S@@](Cc1cccc(OC(F)F)c1)Cc1ccccc1F 78556003 AQBCSOPDVRHUPW-OAQYLSRUSA-N 314.328 3.876 0 40 DHAB CCOC[C@H]1CCN(C(=O)Nc2ccccc2SCC)C1 81608899 OQOOXOZNUJRBQY-ZDUSSCGKSA-N 308.447 3.689 0 40 DHAB O=C(NCc1csc(-c2ccco2)n1)[C@H]1CCc2ccccc21 84581854 HLWZOTUTDMPBEN-HNNXBMFYSA-N 324.405 3.749 0 40 DHAB O=C(NCc1cccnc1)[C@H]1C[C@H]1c1cccc2ccccc12 89873205 XKVHTAJLJLKICM-OALUTQOASA-N 302.377 3.655 0 40 DHAB COC(=O)C[C@@H](C)SCc1nc2ccccc2n1C(F)F 89894575 MFSQUHPFDGGBIJ-SECBINFHSA-N 314.357 3.616 0 40 DHAB FC1(F)Oc2cc(Br)c(Br)cc2O1 95093206 KCMHVNKLTLCORW-UHFFFAOYSA-N 315.895 3.533 0 40 DHAB COc1ccc(C(=O)c2cc(Cl)ccc2OC)c(OC)c1 95916308 ZPCCDAUOGMUYTM-UHFFFAOYSA-N 306.745 3.597 0 40 DHAB Cc1noc(C)c1CNC(=O)N(C)[C@H]1CCCc2ccccc21 95955175 XOULQXHJDYJOFE-KRWDZBQOSA-N 313.401 3.510 0 40 DHAB O=Cc1c(-c2ccncc2)[nH]c2ccc(Br)cc12 96295476 FYWGRAFWAMCLKW-UHFFFAOYSA-N 301.143 3.805 0 40 DHAB CC(=O)c1cnc(NC(=O)[C@H](C)SCc2ccccc2)s1 96411621 CGCBPGKVIWQREI-NSHDSACASA-N 320.439 3.606 0 40 DHAB C[C@H](NC(=O)COc1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103075266 ONTIKEHAUCIUQA-VLXAULBPSA-N 307.821 3.660 0 40 DHAB CCCCNC(=O)CCc1ncc(-c2ccc(OCC)cc2)o1 224854858 XLLWWMLSSQHNIF-UHFFFAOYSA-N 316.401 3.589 0 40 DHAB COc1ccc(C[C@H](Oc2ccc(C)cc2)C(=O)O)cc1Cl 225122542 UEFDUIAFGUJUFH-INIZCTEOSA-N 320.772 3.732 0 40 DHAB COc1ccccc1CCCNC(=S)Nc1ccc(F)cc1 225549819 ROPWNRBQWCMCQY-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB Cc1ccnc(Nc2ccccc2I)c1 228966199 ZGURVPANUCTWBQ-UHFFFAOYSA-N 310.138 3.738 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 248333772 KLAVVVARGBVTEU-XGZVRMHOSA-N 323.521 3.557 0 40 DHAB Cc1ccc([C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)nc1 257296968 RFFKOWFGDKNUDO-FQEVSTJZSA-N 319.408 3.512 0 40 DHAB Cc1nc2c(NC(=O)c3ccc4ncccc4c3)cccc2o1 1540144465 CXDXIPKJQWILKB-UHFFFAOYSA-N 303.321 3.937 0 40 DHAB C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)CC2CCCCC2)cc1 1568588818 WZOMXYKUYFDBSU-AWEZNQCLSA-N 314.429 3.900 0 40 DHAB FC(F)Oc1cccc(Nc2ncnc3c2ncn3C2CC2)c1 2298094972 KLHLBKVXPLKCGJ-UHFFFAOYSA-N 317.299 3.506 0 40 DHAB Cc1cccc(-c2nc3c(c(SCC(=O)O)n2)CCCC3)c1 76337 WKLZCMXEOZOHIA-UHFFFAOYSA-N 314.410 3.508 0 40 DHAB Cc1cc(OCC(=O)Nc2ccccc2)ccc1Br 117366 UHCSJXPPRGGSMB-UHFFFAOYSA-N 320.186 3.775 0 40 DHAB Cc1cc(Cl)n(C[C@H](O)c2c(Cl)cccc2Cl)n1 159834 RZVSMVMPRMPTJG-JTQLQIEISA-N 305.592 3.885 0 40 DHAB COc1ccc(-c2nn3c(-c4ccccc4C)nnc3s2)cc1 531144 WFRZHWSCDRPXEV-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2CC(C)C 1369573 FVUAYRMFYZPYOW-QZTJIDSGSA-N 314.473 3.766 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1cccnc1 1446684 RDQHDGTXYFTOHD-GQCTYLIASA-N 307.180 3.718 0 40 DHAB Clc1ccc(NCNC2Nc3ccccc3N2)cc1Cl 1591378 MHVZONNBPRTHPD-UHFFFAOYSA-N 309.200 3.774 0 40 DHAB COc1cc2c(c(-c3cn(C)c4ccccc34)c1OC)OCO2 1612066 SQBWYGPEYVRXJC-UHFFFAOYSA-N 311.337 3.591 0 40 DHAB CCCc1nnc(NC(=O)CCCOc2ccc(C)cc2)s1 1903411 HWLSJFFQCVCTCA-UHFFFAOYSA-N 319.430 3.597 0 40 DHAB O=C(c1ccc(Cl)cc1)c1c[nH]c2ccc(F)cc2c1=O 2461961 MCKISBOOSHURBK-UHFFFAOYSA-N 301.704 3.552 0 40 DHAB O=C(NCc1ccccc1Cl)c1cc(-c2ccccc2)on1 2793587 FNQZJNWOWDJISN-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB O=c1c(Cl)c(Oc2ccccc2)cnn1Cc1ccccc1 3399839 NRQZJVAFRWKUGA-UHFFFAOYSA-N 312.756 3.737 0 40 DHAB CSc1cccc(NC(=O)COc2cccc(C(C)=O)c2)c1 3510227 CCMVCJTURNFSND-UHFFFAOYSA-N 315.394 3.629 0 40 DHAB O[C@H](CC(O)(C(F)(F)Cl)C(F)(F)Cl)c1ccccc1 3607962 ZGRPQOKXVFKJQN-MRVPVSSYSA-N 321.097 3.504 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2Cl)c1 5120278 FASIXWZVBAIFDT-UHFFFAOYSA-N 323.845 3.778 0 40 DHAB O=C(CCc1ccccc1)OC/C=C\COC(=O)c1ccccc1 5372237 UTAQTHGOLHFTKG-FPLPWBNLSA-N 324.376 3.576 0 40 DHAB CCOC(=O)c1c2n(c3cc(Cl)ccc3c1=O)CCCCC2 5474334 NCKNYOQZCKOXPV-UHFFFAOYSA-N 319.788 3.558 0 40 DHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 7612506 DPNAZLKNLOOYFF-UHFFFAOYSA-N 320.348 3.812 0 40 DHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCCCC1 8277818 OQGIQCOOGBETGL-UHFFFAOYSA-N 323.820 3.698 0 40 DHAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1 8808213 UGVWVFUCQLHBCA-UHFFFAOYSA-N 311.410 3.613 0 40 DHAB Cc1cc(Nc2cccc(Cl)c2)nc(-n2nc(C)cc2C)n1 10215026 ABMBWYTUEPQIRG-UHFFFAOYSA-N 313.792 3.985 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1F 10409560 OCZMNUVNXHBOLJ-UHFFFAOYSA-N 321.735 3.779 0 40 DHAB O=C(CSc1nncn1C1CC1)c1cccc2ccccc12 11720267 XEDJTPOFBXFYSO-UHFFFAOYSA-N 309.394 3.741 0 40 DHAB CC[C@H](NC(=O)CCn1nc(C)c(C)c1C)c1ccc(F)cc1 12199693 HXQQHHKAOGTTFI-KRWDZBQOSA-N 317.408 3.605 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2cccs2)on1 12422243 KHEZQMPCOYAMGI-GFCCVEGCSA-N 324.405 3.923 0 40 DHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(Cl)cc1 12997994 IGYWFNYMRSDKTD-NSHDSACASA-N 320.845 3.959 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccccc2)n1 14094696 FLUFINILLNIQTD-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB ClC12C[C@H]3C[C@@H](C1)CC(c1nnc(-c4cccnc4)o1)(C3)C2 14119238 FSZOIWROUXPFLX-GKUGFIGPSA-N 315.804 3.961 0 40 DHAB CC(C)Nc1nnc(SCc2cc(-c3ccco3)on2)s1 19041191 GTZVWTODOLADDP-UHFFFAOYSA-N 322.415 3.899 0 40 DHAB CCc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 20635861 LJPCOHIVBYNYIV-UHFFFAOYSA-N 316.364 3.726 0 40 DHAB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 22529210 VFKVDUSNJPETLC-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2ccco2)on1 22630234 IOIDPLPJDNEHEJ-AWEZNQCLSA-N 308.337 3.742 0 40 DHAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccs1 22913856 WBRWSSWTRMNKBW-QGZVFWFLSA-N 315.486 3.630 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c(C)c1 29483047 XPCLIYMLTBDGBM-IBGZPJMESA-N 308.425 3.861 0 40 DHAB Cc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1Cl 31544747 BRXDIKJGVOMJFP-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB CCN(Cc1nonc1C)C(=O)Nc1ccc(C(C)C)cc1 32648036 BDCRRTOGINWRSY-UHFFFAOYSA-N 302.378 3.555 0 40 DHAB COC(OC)(c1ccc2c(c1)[nH]c1ccc(Cl)cc12)[C@@H](C)O 34496314 QTDQYWLFPXKKNK-SNVBAGLBSA-N 319.788 3.801 0 40 DHAB in-vitro Cn1ccnc1[C@@H](NC(=O)CC1CCCCC1)c1ccccc1 36660060 UYHTZHVFWGIYIQ-SFHVURJKSA-N 311.429 3.596 0 40 DHAB CN(C)CC/C=C1/c2ccccc2C[S@](=O)c2ccccc21 38190882 NBNPVRZHUPMVQS-CJBPROBKSA-N 311.450 3.691 0 40 DHAB CC1=C(C)N(C(C)(C)C(=O)O)N(C(=O)C(C)C)c2ccccc21 38337633 MHCIITUZJOYBJO-UHFFFAOYSA-N 316.401 3.520 0 40 DHAB CC(C)Nc1nc(C(=O)Nc2cc(Cl)ccc2O)cs1 40284403 QQXMPLYZFQMBMU-UHFFFAOYSA-N 311.794 3.575 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Oc2ccc3c(c2)CCC(=O)N3)C1(C)C 42887300 BYQDQLKEODSFHT-PBHICJAKSA-N 313.397 3.715 0 40 DHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccn1 44946658 WKXNAGXCQANVPL-LJQANCHMSA-N 320.392 3.709 0 40 DHAB CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1Cl 48278709 DPLMJWGPVDJUFP-AAEUAGOBSA-N 301.839 3.587 0 40 DHAB FC(F)(F)[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 48310017 QIVCHQICYGERAD-CQSZACIVSA-N 309.335 3.647 0 40 DHAB CC(C)CC[C@@]1(CCN2CCOCC2)CCO[C@H](C(C)C)C1 49762646 WJJUOFFEYGAKBZ-RBUKOAKNSA-N 311.510 3.966 0 40 DHAB COc1ccc(C(=O)[C@H](C)Sc2nc(C)c(C)o2)cc1OC 58197430 PERLASUKRPQEPV-NSHDSACASA-N 321.398 3.672 0 40 DHAB O=C(O)c1cnc(/C=C/c2csc(-c3ccco3)n2)s1 58411354 RBTHSRFMMGBHCU-ONEGZZNKSA-N 304.352 3.728 0 40 DHAB Cc1sc(-n2cccc2)c(C(=O)O[C@@H]2CCCCC2=O)c1C 60598720 AINPNZBHVAXYES-CQSZACIVSA-N 317.410 3.824 0 40 DHAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccccc1 62576074 QUZVETHVGIORJX-UHFFFAOYSA-N 306.365 3.623 0 40 DHAB Cc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1N 72229450 OCZQPRFPMHSCAK-UHFFFAOYSA-N 310.184 3.719 0 40 DHAB Cc1cnc([C@@H](NC(=O)c2cc(F)ccc2C)C2CC2)s1 72296831 WKPRFAGYQQYZDI-AWEZNQCLSA-N 304.390 3.780 0 40 DHAB CCN(C)C[C@@H]1CCN(C(=O)Nc2cccc3ccccc23)C1 72304807 GXKIBIGZTACJEW-HNNXBMFYSA-N 311.429 3.645 0 40 DHAB Cc1nn2c(CC(C)C)cc(C(=O)O)nc2c1-c1ccccc1 79124154 KCSGKNISOMJICK-UHFFFAOYSA-N 309.369 3.601 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)N(CCO)Cc1ccccc1 79636157 NQHIEMANLCJCST-UHFFFAOYSA-N 318.804 3.675 0 40 DHAB O=C(Nc1ccc2c(c1)COC2)c1ccc2[nH]c(=S)oc2c1 92615452 UVDVKNQKCQZCHD-UHFFFAOYSA-N 312.350 3.773 0 40 DHAB COCc1ccccc1NC1CCN(c2nc(C)cs2)CC1 97045842 JZPFJSARYYFQTH-UHFFFAOYSA-N 317.458 3.679 0 40 DHAB COc1ccccc1[C@@H]1C=C(c2ccc(C)cc2)Nc2ncnn21 101029398 GWIADSIDWROXDE-KRWDZBQOSA-N 318.380 3.651 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccccc2Cl)cc1C 223369839 MJZDCDKYYZFVLI-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 224682708 SHRAWDGDYZBDKM-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB Nc1cc(C(=O)N2CCCC2)ccc1NCCC1=CCCCC1 225410704 RWCCCANXVJPACL-UHFFFAOYSA-N 313.445 3.807 0 40 DHAB CC(C)CSc1nnc(NC(=O)Nc2ccccc2)s1 225734837 TWRRQQZIPROXNP-UHFFFAOYSA-N 308.432 3.930 0 40 DHAB O=C(NC1CCCCC1)c1snnc1-c1ccc(Cl)cc1 225768741 LILGLGYLFIVCBD-UHFFFAOYSA-N 321.833 3.921 0 40 DHAB CCN1CC=C(c2nc3cc(Br)ccc3o2)CC1 226251040 BBSDGLLGJJZGPJ-UHFFFAOYSA-N 307.191 3.699 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(N)c(Cl)cc2Cl)C1 226301018 HYGYXKRQAXFLDX-IUCAKERBSA-N 301.217 3.694 0 40 DHAB C[C@@H]1CCCN(c2c(Cl)cc(N)cc2Br)C1 226316463 JELVUIUEUODBKH-MRVPVSSYSA-N 303.631 3.921 0 40 DHAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2cccc(Cl)c2)C1 228915652 SQFGCRGOKQEVRZ-CYBMUJFWSA-N 323.820 3.709 0 40 DHAB Cc1nn(CCNC(=O)[C@H]2CC=CCC2)c(C)c1-c1ccccc1 238874699 NTJPCDNNYSACMG-SFHVURJKSA-N 323.440 3.639 0 40 DHAB CC(C)n1ncc2c(C(=O)O)cc(/C=C/c3cccs3)nc21 247985866 IPBVIHAFVDAAKB-AATRIKPKSA-N 313.382 3.942 0 40 DHAB Cc1ccccc1CN1CCC[C@H]1c1cccc(CCC(=O)O)n1 257242352 ICBLUNVWNLNJIN-IBGZPJMESA-N 324.424 3.744 0 40 DHAB O=C(OCc1ccccc1)N1c2ccccc2CC12CCNCC2 521396038 KBGPCVZEEHMKGQ-UHFFFAOYSA-N 322.408 3.508 0 40 DHAB Cc1ccccc1N(C(=O)C[C@H](C)N1CCCCC1=O)C(C)C 585080307 GANKBCGUCUZMRM-INIZCTEOSA-N 316.445 3.528 0 40 DHAB COc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776009118 VLYSEVCUNMRGCM-ROUUACIJSA-N 311.425 3.728 0 40 DHAB CCOc1cccc2sc(NCC(=O)c3ccccc3)nc12 151674 WSIWIQGCGVFXEO-UHFFFAOYSA-N 312.394 3.990 0 40 DHAB O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1Cl 163265 PCIMBMBKVBSANF-UHFFFAOYSA-N 315.587 3.972 0 40 DHAB COc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 421238 NCFTYLLISDLQNE-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB CCC(CC)c1nnc(NC(=O)c2cccc(OC)c2)s1 804686 SARNQXOPVIGURV-UHFFFAOYSA-N 305.403 3.703 0 40 DHAB COc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1O 818030 PYXUHOPNZPCGAW-LJQANCHMSA-N 321.380 3.854 0 40 DHAB N=C1NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1 975870 JUDQUEPWMOKMGQ-GHXNOFRVSA-N 304.758 3.739 0 40 DHAB COc1ccc2c(CCNC(=O)/C=C/c3ccccc3)c[nH]c2c1 2133441 LVPNRSZGNZEQEG-JXMROGBWSA-N 320.392 3.549 0 40 DHAB biogenic CCCC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1OC 2213933 MEVOPXDUXCKJAO-OLZOCXBDSA-N 307.390 3.551 0 40 DHAB C[C@]12CC=C3C4=C(CC[C@@H]3[C@H]1CCC2=O)CC1(CC4)OCCO1 4026277 XUOQKQRMICQUQC-SCTDSRPQSA-N 314.425 3.936 0 40 DHAB biogenic CCOc1ccccc1C(=O)NCc1ccc2c(c1)cc(C)n2C 4061483 LYUZKGKZHMBROK-UHFFFAOYSA-N 322.408 3.815 0 40 DHAB CCOC(=O)CNc1nc(-c2ccccc2)c2cc(C)ccc2n1 4185946 JBRNPKUXVCHWDU-UHFFFAOYSA-N 321.380 3.580 0 40 DHAB CC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 4510558 RPGRWIFGELQDSW-UHFFFAOYSA-N 319.360 3.956 0 40 DHAB COc1ccccc1/C=C/c1nn2c(-c3ccco3)nnc2s1 4511816 BYFUCQTUEFSBBJ-CMDGGOBGSA-N 324.365 3.625 0 40 DHAB Cc1noc(C)c1COC(=O)c1csc2c1CC[C@@H](C)C2 6084143 FYRHQWZSRFCTLE-SECBINFHSA-N 305.399 3.835 0 40 DHAB COc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)c(C)c1 6484624 DFHAMNZHTIXDLD-LBPRGKRZSA-N 300.354 3.893 0 40 DHAB O=C(CCCc1cccs1)NCCc1c[nH]c2ccccc12 6639062 VAPINVVEIKPFNL-UHFFFAOYSA-N 312.438 3.911 0 40 DHAB COC(=O)c1cn(-c2ccc(C)cc2)nc1-c1cccc(OC)c1 6785832 CVFBEDGMXDPPMT-UHFFFAOYSA-N 322.364 3.643 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)N2CCc3ccccc32)n1 7195921 JYNDAANGIYEIDE-NSHDSACASA-N 304.440 3.521 0 40 DHAB COc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)O)c2c1 7276157 DLVBXOHCRVVGMP-UHFFFAOYSA-N 310.353 3.646 0 40 DHAB Cc1nnc(S/C(=C\c2cccc3ccccc23)C(=O)O)o1 7603608 HVYSTWITLWLFEU-ZROIWOOFSA-N 312.350 3.749 0 40 DHAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C)C1 9912436 BLJYNIAWZKUEJS-NEPJUHHUSA-N 314.351 3.764 0 40 DHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)cc2)cc1 10371306 ZRBJXULNRPSXRQ-UHFFFAOYSA-N 311.381 3.743 0 40 DHAB O=C(Nc1ccc(F)cc1)Nc1ccc(NC(=O)C2CC2)cc1 10464043 INWRGIFHBAQSBK-UHFFFAOYSA-N 313.332 3.818 0 40 DHAB COc1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 10808772 FMIUAOVFRRULOF-UHFFFAOYSA-N 324.384 3.582 0 40 DHAB COc1ccccc1CNC(=O)CCc1ccc(C)c(Cl)c1 12608769 IFGGONXHMYOXQX-UHFFFAOYSA-N 317.816 3.906 0 40 DHAB COC(=O)c1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)oc1C 12790337 DZXLVQMUERFRID-NTUHNPAUSA-N 317.728 3.521 0 40 DHAB C[C@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl 12868437 MLEAYDOYMFPMNW-LBPRGKRZSA-N 316.788 3.822 0 40 DHAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc12 12974604 WHSPLJYAKRKRKD-VIFPVBQESA-N 317.389 3.573 0 40 DHAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Cl)s1 12980270 XOLLEJWTTGMNJV-XFFZJAGNSA-N 307.733 3.885 0 40 DHAB O=C(NCCCOCC1CC1)Nc1ccc(Cl)c(Cl)c1 14190741 ZRABSWDMHVBCCD-UHFFFAOYSA-N 317.216 3.932 0 40 DHAB Cc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)o1 15016165 PALOJJPFGUYOHU-GHXNOFRVSA-N 304.143 3.843 0 40 DHAB COc1ccc(-c2cc(Nc3cccc(O)c3)nc(C)n2)cc1 15859140 OYZYSKNLBFHTAS-UHFFFAOYSA-N 307.353 3.910 0 40 DHAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1F 17155983 ARRXEGTUQGPADB-CYBMUJFWSA-N 301.361 3.585 0 40 DHAB O=C(NCc1ccc(CN2CCCCC2)cc1)Nc1ccccc1 18177375 RVJLORUEOKFZSS-UHFFFAOYSA-N 323.440 3.994 0 40 DHAB CC(C)COc1ccccc1C(=O)Nc1cc(N)ccc1F 19736624 UBLYIFXCJVNECN-UHFFFAOYSA-N 302.349 3.695 0 40 DHAB COc1ccc(S[C@H](C)C(=O)N(C)c2ccccc2)cc1 19932062 SKANZSHMIUJOAU-CYBMUJFWSA-N 301.411 3.839 0 40 DHAB O=C(Cc1ccccc1)Nc1ccc(-c2ccc(CO)o2)cc1 20137109 NBVCTZVVLVQQEZ-UHFFFAOYSA-N 307.349 3.620 0 40 DHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1C 22841299 DVUNOHYNZXTRPJ-UHFFFAOYSA-N 307.390 3.806 0 40 DHAB C[C@@H](NC(=O)CCc1ccccc1O)c1ccccc1Cl 23482355 FVIDCMIASUUDPK-GFCCVEGCSA-N 303.789 3.856 0 40 DHAB Cc1cc(C(=O)NCc2ccccc2COC(C)C)c(C)o1 30368928 LVRHEDLSRBAKIE-UHFFFAOYSA-N 301.386 3.751 0 40 DHAB CC(=O)Nc1ccc(CN[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 30662023 INLZZKNSPOOZFG-GJZGRUSLSA-N 314.351 3.856 0 40 DHAB O=C(Nc1cccnc1)c1cccnc1Sc1ccccc1 32901878 JHXWWQYPNJEURG-UHFFFAOYSA-N 307.378 3.880 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCCSc2ccccc2)o1 33000460 MVDKGFYXHLENAI-ZHACJKMWSA-N 301.411 3.900 0 40 DHAB Cc1cccc(C(=O)Nc2ncc(Cc3ccccc3C)s2)n1 40111728 LCEOWMFEZUEDIG-UHFFFAOYSA-N 323.421 3.998 0 40 DHAB CCN(C(=O)c1scnc1C)c1nc2ccccc2s1 40139087 WNUNLMGVJZSPJH-UHFFFAOYSA-N 303.412 3.728 0 40 DHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCCCCCC1 45607003 NOHONMAAACHCCU-HNNXBMFYSA-N 304.434 3.689 0 40 DHAB COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 47710665 LGTMOUFWAAKDJD-GFCCVEGCSA-N 313.357 3.748 0 40 DHAB O[C@H](CN1CC=C(c2ccccc2)CC1)c1ccc(F)cc1F 51112419 HNEFNJOFHKZYNR-LJQANCHMSA-N 315.363 3.788 0 40 DHAB Cc1ccsc1CN(C)Cc1csc(-c2ncccn2)n1 51233687 NZQFWBMNXOCCRA-UHFFFAOYSA-N 316.455 3.602 0 40 DHAB COC(=O)c1ccc(NC(=O)Nc2cccc(F)c2C)cc1 51354520 XVLYNLJCDPSCHK-UHFFFAOYSA-N 302.305 3.565 0 40 DHAB O=C(NCCc1ccc(O)cc1)Nc1cccc2ccccc12 54040828 RZWBQSRTKIKPDA-UHFFFAOYSA-N 306.365 3.910 0 40 DHAB O=C(c1csnn1)N1CCC[C@H]1Cc1cccc2ccccc12 61530301 GHIGAUZAKYDDOL-HNNXBMFYSA-N 323.421 3.539 0 40 DHAB CCCCC(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 65523003 MYQSMMZJNKYIQP-AWEZNQCLSA-N 321.371 3.868 0 40 DHAB Cc1cc(F)cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 67801082 FRZKMQIHKDWXKA-UHFFFAOYSA-N 322.424 3.623 0 40 DHAB CN(C)CC(C)(C)CNC(=O)Cc1ccc(-c2ccccc2)cc1 69043673 YPBDWFIQMRYLIX-UHFFFAOYSA-N 324.468 3.600 0 40 DHAB CCO[C@H](C)c1nc(CN(C)[C@@H]2CC[C@H](SC)C2)cs1 75918866 ONHFDBMGEAIMQJ-BNOWGMLFSA-N 314.520 3.957 0 40 DHAB C[C@H](NC(=O)N(C)Cc1ccco1)c1csc(C2CC2)n1 79036690 GMKLDFIHRISMFM-JTQLQIEISA-N 305.403 3.516 0 40 DHAB CCc1cnc([C@H](C)NCc2cc(OC)c(OC)cc2C)s1 83474178 HOYNAYZVTPSPDR-LBPRGKRZSA-N 320.458 3.882 0 40 DHAB COC(=O)Nc1cccc(NCc2ccccc2-n2cccn2)c1 95428566 SFWSNRKUESYROE-UHFFFAOYSA-N 322.368 3.663 0 40 DHAB Cc1cc([C@H]2c3ccccc3CCCN2[C@@H]2CCOC2)ccn1 96260792 OPOOVEDFDNTLAZ-QUCCMNQESA-N 308.425 3.517 0 40 DHAB Cc1ccc(C[C@@H](C)NC(=O)N(C)[C@H](C)c2ccccn2)s1 96415584 XONAYBRHUURQFK-TZMCWYRMSA-N 317.458 3.785 0 40 DHAB Cc1cnc([C@@H](C)NC(=O)N[C@H](C)Cc2ccsc2)s1 96456305 NEHFENJIZXHTEO-MWLCHTKSSA-N 309.460 3.504 0 40 DHAB O=C(O)c1scc(Br)c1OCc1ccccc1 96511019 XQTDBVMCRWTBHL-UHFFFAOYSA-N 313.172 3.788 0 40 DHAB CN(C[C@@H](O)C1CC1)C(=O)N(c1ccccc1)c1ccccc1 97238773 NLTDJCHZGGSGRF-GOSISDBHSA-N 310.397 3.647 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102306316 DTMAZMKJRNMIRQ-UJHHCITNSA-N 301.430 3.703 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)[C@@H]1C[C@H]2CC[C@H]1C2 102837884 JDICAAHWQVLZSF-RCWTZXSCSA-N 319.879 3.505 0 40 DHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3snnc3c2)C1 104025513 YQHGDBNZICNBHR-YVEFUNNKSA-N 315.442 3.732 0 40 DHAB Cc1cc(-c2ccc(/C=C\C(N)=O)o2)c(C)cc1Br 208753528 IROCMTBNMQOGKS-XQRVVYSFSA-N 320.186 3.824 0 40 DHAB CCCCCNC(=S)Nc1ccc(OC)c2ncccc12 225379579 AWHRSXSRWPUGON-UHFFFAOYSA-N 303.431 3.720 0 40 DHAB CCc1ccc(C(=O)Nc2cc(N)ccc2N(CC)CC)cc1 226260622 FRFFKYYGIIBFKB-UHFFFAOYSA-N 311.429 3.930 0 40 DHAB Fc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCCN[C@H]32)cc1 257286066 PKAQOSIRGBKHRJ-UFYCRDLUSA-N 310.416 3.546 0 40 DHAB O=C(NCCc1ccc(-c2ccsc2)s1)C1CCOCC1 575414094 SNBLGCOHKAFSFI-UHFFFAOYSA-N 321.467 3.562 0 40 DHAB Cc1ccc2c(c1)C(C)(C)[C@@]1(C)N(Cc3ccccc3)C(=O)CN21 88518 MKPBDWUHVCSHSY-OAQYLSRUSA-N 320.436 3.851 0 40 DHAB biogenic COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC 116772 RJFMUYZWDLSYSX-GFCCVEGCSA-N 309.369 3.820 0 40 DHAB O=C(CSc1nnc(-c2cccs2)o1)c1ccccc1 421727 WCIAHEGLLQBHRK-UHFFFAOYSA-N 302.380 3.773 0 40 DHAB Cc1ccc(CC(=O)Nc2ccccc2Br)cc1 578009 UGPKRFOPDOJORL-UHFFFAOYSA-N 304.187 3.939 0 40 DHAB CCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 1002164 LAGOWGYRBOSVGI-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB CCn1c(SC[C@@H]2CCCCO2)nnc1-c1ccccc1 2448888 BOWLNGDXVICXBF-AWEZNQCLSA-N 303.431 3.626 0 40 DHAB COc1ccc2oc(=O)c(-c3nnc(-c4ccccc4)o3)cc2c1 2472829 HGUCCZNLOOBMET-UHFFFAOYSA-N 320.304 3.519 0 40 DHAB Cc1ccccc1C(=O)Nc1nnc(Cc2ccccc2)s1 2621899 PSFWFSJCXFQYHZ-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB COc1cc(N2Cc3ccccc3C2=O)c(OC)cc1Cl 2749348 PIPKEGJPGHRHDJ-UHFFFAOYSA-N 303.745 3.518 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 3553650 IVSAWYWFELUEKC-SCLBCKFNSA-N 311.381 3.979 0 40 DHAB O=C(Nc1nnc(-c2cccs2)o1)c1cccc(Cl)c1 4276212 KOAPPQWDEACQTE-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB CCSc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)SCC2 4358822 FUJZUJFYJDCFOT-UHFFFAOYSA-N 318.467 3.610 0 40 DHAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccco1 4479416 AAMFTIDAGIGIIX-UHFFFAOYSA-N 324.123 3.889 0 40 DHAB Cc1ccc(-c2nc3ccccc3c(C(=O)O)c2CC(=O)O)cc1 4670154 IRBNYRKDCUEXNO-UHFFFAOYSA-N 321.332 3.536 0 40 DHAB O=C(O)[C@H]1[C@@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)O 4831809 PHJIZAYKVVVWIS-TVFCKZIOSA-N 322.360 3.525 0 40 DHAB Cc1ccccc1CNC(=O)COc1ccc2ccccc2c1 5089866 JLYWQNXZBJVCEY-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB O=C(COc1cccc2cccnc12)Nc1ccc(F)c(F)c1 6127924 UDEUACZEPSVSGQ-UHFFFAOYSA-N 314.291 3.531 0 40 DHAB Cc1cccc(OCC(=O)Nc2nc3c(s2)CCCC3)c1C 7642414 PHLJRLLFULLKKC-UHFFFAOYSA-N 316.426 3.656 0 40 DHAB O=C(Cc1c(Cl)cccc1Cl)NCCc1cccs1 7798303 USWHLKYBLJZFST-UHFFFAOYSA-N 314.237 3.956 0 40 DHAB C[C@H](NC(=O)COc1cccc(F)c1)c1cc2ccccc2o1 7885470 OAQXCZVOBFJVFG-LBPRGKRZSA-N 313.328 3.828 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCCc2ccccc21 8725633 WFXLGMVGPGYXKI-INIZCTEOSA-N 319.408 3.689 0 40 DHAB Cc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 8913912 WUGZNJXUGIKZNG-UHFFFAOYSA-N 303.174 3.797 0 40 DHAB Cc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10696831 PGMNFQAEEFJTLL-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2)cc1C 10697349 RSTACAUBDORBPA-UHFFFAOYSA-N 317.410 3.723 0 40 DHAB Cc1nc2cc(NC(=O)COc3cccc(C)c3C)ccc2[nH]1 10895635 PCGGADINRVFYAL-UHFFFAOYSA-N 309.369 3.506 0 40 DHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCc1ccccc1 11637267 ZRDCNINCJIETDJ-IBGZPJMESA-N 311.425 3.820 0 40 DHAB O=C(Nc1nnc(Cc2cccs2)o1)c1ccccc1Cl 11694626 OMBAMISOMLMRAZ-UHFFFAOYSA-N 319.773 3.628 0 40 DHAB O=C(c1cc2ccccc2c(=O)s1)N1CCCc2ccccc21 12030339 ONSCPOYMJRUTIW-UHFFFAOYSA-N 321.401 3.855 0 40 DHAB Cc1ccc(-c2cc(CNC(=O)c3ccccc3F)no2)cc1 12235545 MVHUOBKOTRNMOA-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB Cc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12534646 LVDHIQHNMQNGQF-UHFFFAOYSA-N 323.421 3.773 0 40 DHAB CN(C)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12607472 WMGOSOKGSXCEEQ-UHFFFAOYSA-N 321.424 3.527 0 40 DHAB CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1 13647292 VPULVCYBQLOGRT-UHFFFAOYSA-N 320.392 3.698 0 40 DHAB Cc1ccc(C(C)C)c(OCCCCCN2CCOCC2)c1 21540283 NXNYWNZULVTWMD-UHFFFAOYSA-N 305.462 4.000 0 40 DHAB C[C@H](Oc1cccc(F)c1)C(=O)NCc1ccc(Cl)s1 25527530 JWYSVTVDBBAHNT-VIFPVBQESA-N 313.781 3.624 0 40 DHAB O=C(NC1CCCCC1)c1cnn(-c2ccccc2)c1C1CC1 28265007 IQURMRKRSCAUAX-UHFFFAOYSA-N 309.413 3.812 0 40 DHAB CC(C)(C)c1noc(CN2CCCc3c(F)cc(F)cc32)n1 29922558 WHXIGIVYMMJJDY-UHFFFAOYSA-N 307.344 3.598 0 40 DHAB O=C(NCc1ccccc1COc1ccccc1)c1ccncc1 30186970 CIDZPIRTROYPGV-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CSc1ncc2c(n1)-c1ccccc1O[C@@H]2N1CCCCC1 31872228 CBJBSWDHGYLNKE-INIZCTEOSA-N 313.426 3.742 0 40 DHAB CCCCSCC(=O)Nc1cccc(-c2ccnc(C)n2)c1 32024861 LVPKFZOIVKAVQJ-UHFFFAOYSA-N 315.442 3.924 0 40 DHAB O=C(Nc1ccc(Br)cc1F)OCC(F)(F)F 32628800 METFRHCSNBLIEH-UHFFFAOYSA-N 316.048 3.699 0 40 DHAB in-vitro CC(C)c1ccccc1NC(=O)CNC(=O)Nc1ccccc1 32899974 VZNZTOOMZWIKCY-UHFFFAOYSA-N 311.385 3.570 0 40 DHAB C[C@]12C=C[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 38609622 MQKCILYFKAJWDB-DTMQFJJTSA-N 302.458 3.837 0 40 DHAB CC(C)(C)C(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 44901539 ACCQMBCIKUMMIY-UHFFFAOYSA-N 320.392 3.679 0 40 DHAB O=C(NCC1CCCC1)c1cnn(Cc2ccccc2Cl)c1 46261329 PIUVSFMSSQPXES-UHFFFAOYSA-N 317.820 3.505 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)C1=NO[C@H](c2ccccc2)C1 48253519 MDGKJQZJDHRKLJ-KSSFIOAISA-N 308.381 3.724 0 40 DHAB CC(=O)[C@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 48403785 UGIBXSPOZIFSQB-LBPRGKRZSA-N 302.757 3.927 0 40 DHAB in-vitro Cc1occc1C(=O)N1CCc2cc(Br)ccc21 49342658 FMEXAGQQSXHCMX-UHFFFAOYSA-N 306.159 3.553 0 40 DHAB CCOc1cc(F)ccc1NCc1nc(-c2cccs2)no1 55872108 BGLPPSGNZDNXSH-UHFFFAOYSA-N 319.361 3.948 0 40 DHAB O=[S@@](CCCOc1ccc(F)cc1)Cc1ccccc1F 58131562 PQGSCGMYWIVNBG-OAQYLSRUSA-N 310.365 3.683 0 40 DHAB CC[C@@H](NC(=O)c1ccccc1)c1ccc2c(c1)OCCCO2 64986940 IOEWJHILVJUWLZ-MRXNPFEDSA-N 311.381 3.729 0 40 DHAB Cc1csc([C@@H]2CN(Cc3csc(C(C)C)n3)CCO2)n1 65473887 SOMWLWOPCAGJDO-ZDUSSCGKSA-N 323.487 3.605 0 40 DHAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccsc1 66803599 XSPREQCXKUJRLR-UHFFFAOYSA-N 324.409 3.595 0 40 DHAB CC(C)Nc1ccc(F)cc1NCC(=O)N1CCCCCCC1 72312421 SSHUJGSAAWOACI-UHFFFAOYSA-N 321.440 3.851 0 40 DHAB CC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3F)n2)C1 79070432 KGVGKUHHIDKVNV-LLVKDONJSA-N 304.390 3.821 0 40 DHAB COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)c1 79112369 LFFVVEORFZPPSB-IBGZPJMESA-N 308.381 3.701 0 40 DHAB Cc1cc(O)ccc1NC(=O)c1c(F)cccc1Br 95431725 AWIZGAVURCOHFC-UHFFFAOYSA-N 324.149 3.855 0 40 DHAB C[S@](=O)c1ccc(CN(Cc2ccco2)C2CCCC2)cc1 95982507 JJDLLPJAPKCDCP-JOCHJYFZSA-N 317.454 3.962 0 40 DHAB Cc1csc(C(=O)NCC[C@H](O)c2cc3ccccc3o2)c1 96097201 PNMPKGRRSOHXBE-ZDUSSCGKSA-N 315.394 3.656 0 40 DHAB Cc1nnc(CN(C)[C@@H](C)c2ccc(Cl)cc2Cl)o1 96305407 QZWYSGXEDWDIQF-QMMMGPOBSA-N 300.189 3.878 0 40 DHAB C[C@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)c2ccccc2N1 96424001 SXPLEZZMEPWGKL-HOCLYGCPSA-N 322.408 3.790 0 40 DHAB COc1ccccc1-n1nc(C)c(Cc2cccc(C)c2)c1O 101265206 AOQHUQVRZZIETF-UHFFFAOYSA-N 308.381 3.794 0 40 DHAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(C3CCCCC3)no2)C1 109528088 IZKQTIKRWRTQKX-CQSZACIVSA-N 319.449 3.869 0 40 DHAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1ccc(Cl)cc1 199524922 MGGYRSWMBLYUCD-GFCCVEGCSA-N 320.709 3.820 0 40 DHAB O=C(O)c1cn(C(=O)Cc2ccc(Cl)cc2)c2ccccc12 216951670 NJYCYTQWSYADSQ-UHFFFAOYSA-N 313.740 3.876 0 40 DHAB COC(=O)[C@H](C(C)C)N1c2c(OC)cccc2C(C)=CC1(C)C 223211788 JYSONXCAGMISOU-INIZCTEOSA-N 317.429 3.895 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1Cl 224186282 LWRYQKQZXYDBIN-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB CCCCOCc1cc(C(=O)N2CCCC2)ccc1OCC 224729642 RHPMWXSRWDFHMS-UHFFFAOYSA-N 305.418 3.638 0 40 DHAB Cc1ccnc(NC(=S)NCCCc2ccccc2Cl)c1 225542462 LTPRCOMJFOOOMV-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB Cc1cc(C(=O)NCc2cncc(-c3cccs3)c2)c(C)o1 225663486 JUFSOLMEOKXWRB-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB COc1ccccc1NC(=O)c1snnc1-c1cccs1 225788847 RFAWFJQNZXSMLU-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB CCCNC(=O)Oc1c(C)cc(C)cc1CN1CCCCC1 255189842 SMKUZHWBTYIEBF-UHFFFAOYSA-N 304.434 3.788 0 40 DHAB CCCn1nccc1-c1cccc(C[C@H]2CCN(C(C)C)C2)n1 257337143 YROODDGMWSXDGT-MRXNPFEDSA-N 312.461 3.628 0 40 DHAB Cc1nccn1CC1CN(Cc2ccc(Cl)cc2Cl)C1 1889125217 BCOZSHASHGDPJG-UHFFFAOYSA-N 310.228 3.630 0 40 DHAB COc1ccc(OC)c(/C=C2\Sc3ccccc3NC2=O)c1 71407 OKTOAGOOTBTVQO-YBEGLDIGSA-N 313.378 3.789 0 40 DHAB Cc1ccc(NC(=O)/C=C2\NC(C)(C)Cc3ccccc32)cc1 189880 BXCCVZJYGJIDAV-PDGQHHTCSA-N 306.409 3.899 0 40 DHAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@@H]1[C@@H]2C 2124466 XWHWCKHMKQSYBV-LWASTNQWSA-N 300.442 3.845 0 40 DHAB Cc1ccc(-n2c(SCCN)nnc2-c2cccc(C)c2)cc1 2639014 JBUHPRCWTSZLDH-UHFFFAOYSA-N 324.453 3.602 0 40 DHAB COc1cccc(CSc2nnc(-c3ccccc3)n2C)c1 2642445 ULQUQBQSDFVVRD-UHFFFAOYSA-N 311.410 3.783 0 40 DHAB S=C(NC[C@H]1CCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 2642884 NCQQPRVVTMDYMC-MRXNPFEDSA-N 324.449 3.723 0 40 DHAB CCC(C)(C)NC[C@H](O)COc1cc(Cl)ccc1Cl 2646001 TWACBRNGJPHJQR-NSHDSACASA-N 306.233 3.511 0 40 DHAB COc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccc(F)cc2)cc1 3190150 AUNRFWUNFTVHHV-AWEZNQCLSA-N 307.271 3.558 0 40 DHAB C[C@H](NC(=O)COc1ccccc1F)c1ccccc1Cl 5105186 BTLTUBSGXQTQLF-NSHDSACASA-N 307.752 3.735 0 40 DHAB O=C(Nc1ccc(N2CCCCC2=O)cc1)Oc1ccccc1 5441296 QIXXBCYBNMETMW-UHFFFAOYSA-N 310.353 3.814 0 40 DHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 5477798 LJANJGCDCZIOID-CLGUQGEQSA-N 319.832 3.507 0 40 DHAB COc1ccc2oc(C(=O)Nc3nc(C)cs3)c(C)c2c1 5678289 NNABLHLECKFPRN-UHFFFAOYSA-N 302.355 3.767 0 40 DHAB CC[C@@H](C)NC(=O)CCc1nc2ccccc2n1-c1ccccc1 6314003 SZLMPFLFYNYMMC-OAHLLOKOSA-N 321.424 3.873 0 40 DHAB C1CCC(Nc2nnc(SC[C@@H]3CCCCO3)s2)CC1 6561165 SZJAFMOYSUSBNK-LBPRGKRZSA-N 313.492 3.944 0 40 DHAB O=C(/C=C/c1ccccc1)NCCSCc1ccccc1F 7637811 PGFGIYVJALBTFF-ZHACJKMWSA-N 315.413 3.889 0 40 DHAB CCc1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1 8338009 PZCGUUKHIKGOGD-UHFFFAOYSA-N 310.426 3.914 0 40 DHAB COc1ccccc1CCNC(=O)c1ccc(C(F)(F)F)cc1 8848555 KODILAWHWMGQSC-UHFFFAOYSA-N 323.314 3.687 0 40 DHAB Cc1ccccc1-n1ncc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 9627356 BBLZLLHUPZLXAO-KBPBESRZSA-N 321.428 3.606 0 40 DHAB CCOC(=O)c1oc2ccc(NC(=O)c3ccco3)cc2c1C 9659845 MJWUSNAJCFVKIN-UHFFFAOYSA-N 313.309 3.763 0 40 DHAB biogenic Cc1cc(C)cc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1 9910286 ZXCDXXBMXSFHDO-UHFFFAOYSA-N 302.761 3.534 0 40 DHAB COCCn1cc(NC(=O)Nc2ccccc2)c2ccccc21 10187726 QCMWMXMXRQHPRM-UHFFFAOYSA-N 309.369 3.932 0 40 DHAB COc1ccc2oc(-c3csc(NC(=O)C4CC4)n3)cc2c1 10883082 CTEFJENFRKPRBE-UHFFFAOYSA-N 314.366 3.913 0 40 DHAB Cc1cc(C)c2sc(NC(=O)Cc3ccc(F)cc3)nc2n1 11666333 ZVGOYPMLOOWORF-UHFFFAOYSA-N 315.373 3.628 0 40 DHAB O=C(c1cscn1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181052 YGJXXOKCXKOVOJ-LQDVMPOASA-N 316.401 3.833 0 40 DHAB Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2o1 12782737 LQMXLMDNNZMOLI-UHFFFAOYSA-N 322.773 3.590 0 40 DHAB O=C(O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 13092396 UETRIHHPEVHTMX-UHFFFAOYSA-N 324.163 3.622 0 40 DHAB FC(F)(F)c1nnc2ccc(Oc3ccccc3Cl)nn12 13104108 IJCFPWFYYQALTB-UHFFFAOYSA-N 314.654 3.589 0 40 DHAB COc1ccc([C@@H](NC(=O)c2ccco2)c2ccccc2)cc1 13986055 BECPNPWFVBFQNR-SFHVURJKSA-N 307.349 3.808 0 40 DHAB O=C(NCc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1 14204777 SNLAHXMWIOFCGZ-UHFFFAOYSA-N 311.772 3.660 0 40 DHAB CC[C@@H](Sc1ccc(N)cc1)C(=O)Nc1ccc(OC)cc1 17053957 BXOINFDCEKBSEQ-MRXNPFEDSA-N 316.426 3.787 0 40 DHAB CC(=O)Nc1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1 17315965 GSHGSVMVQTVQCW-LLVKDONJSA-N 304.340 3.774 0 40 DHAB CCCc1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 18840930 PTHGWJIFRQTPTG-UHFFFAOYSA-N 305.403 3.530 0 40 DHAB Cc1cc(C)cc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c1 19910318 INZDWOSTGYPNIZ-UHFFFAOYSA-N 308.385 3.997 0 40 DHAB C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 20671803 QJYZHUYNXREHNP-LBPRGKRZSA-N 314.772 3.697 0 40 DHAB Cc1nsc(NC(=O)c2sc3ccccc3c2Cl)n1 27745156 UUOOMRNJEVUDTL-UHFFFAOYSA-N 309.803 3.967 0 40 DHAB O=C(CN(Cc1ccccc1)c1ccccn1)c1ccccc1 35682835 FUGKMFYNJXWHSM-UHFFFAOYSA-N 302.377 3.971 0 40 DHAB Cc1cccc(N[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 40161218 SVQPHXNIAVOCIS-DLBZAZTESA-N 310.441 3.933 0 40 DHAB Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 40924946 AKOHYALLDIOPCV-UHFFFAOYSA-N 316.817 3.605 0 40 DHAB CC(C)c1noc([C@@H]2CCCCN2C(=O)NC2CCCCC2)n1 41122814 ORMAMPGYNIQDHV-AWEZNQCLSA-N 320.437 3.762 0 40 DHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc2ccccc2o1 43840203 HGLIRHFQLXNOKM-UHFFFAOYSA-N 322.320 3.642 0 40 DHAB Cc1ccccc1CS(=O)(=O)Cc1nc2ccccc2s1 44643857 QQIZBKHRYLGVFD-UHFFFAOYSA-N 317.435 3.720 0 40 DHAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCO[C@@H]2CCCC[C@H]21 46495264 RICBWWONIQARDJ-XJFOESAGSA-N 319.367 3.525 0 40 DHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccco1 48256119 XDJFGQIXSQGJPQ-UHFFFAOYSA-N 315.373 3.504 0 40 DHAB C[C@H](NC(=O)c1ccccc1N(C)c1ccccc1)[C@@H]1CCCO1 49674858 UKQLMAPXERGLPT-KXBFYZLASA-N 324.424 3.752 0 40 DHAB CCOc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1 51315650 HIFQTSFZEXYAHP-UHFFFAOYSA-N 313.382 3.789 0 40 DHAB CCc1nc(CC(=O)N[C@@H](C)c2ccc(SC)cc2)cs1 55247651 KTWUQFOULLPVEN-NSHDSACASA-N 320.483 3.847 0 40 DHAB Nc1nc(-c2cccc(Br)c2)cc(-c2ccco2)n1 71978033 MAYXMIYSTQGBGN-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB CC(C)(C)OC(=O)N1CCC(N)(c2ccc(Cl)cc2)CC1 79033359 RFZDLGITJYKDKY-UHFFFAOYSA-N 310.825 3.525 0 40 DHAB Cc1ccccc1C[S@](=O)Cc1noc(-c2ccsc2)n1 79324614 ILUQRDTUIFUZQA-OAQYLSRUSA-N 318.423 3.555 0 40 DHAB CN(C)c1nc(CNc2cccc(Cl)c2Cl)ns1 89326873 RQYRSFOPJOUNMN-UHFFFAOYSA-N 303.218 3.523 0 40 DHAB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Oc2cccnc2)c(F)c1 96422435 FVPQTRHDRYPKQQ-XUJVJEKNSA-N 314.360 3.846 0 40 DHAB Cc1nc(C[S@@](=O)[C@H]2CCc3c(Cl)cccc32)oc1C 97083672 GROXOPDYEQXZOC-XOBRGWDASA-N 309.818 3.881 0 40 DHAB CCCCCOc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 101530451 LWPLWZAYWWMXFB-IRXDYDNUSA-N 313.397 3.711 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 113960006 FJFCMOSGJXWBGW-LRDDRELGSA-N 319.351 4.000 0 40 DHAB COc1cccc(CCCNC(=O)c2ccc(Cl)cc2F)c1 171251798 LDGAPBZVULWSAO-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB Cc1nnc(CN[C@@H]2c3ccccc3CCC2(C)C)n1C1CC1 183207041 BUNRDVVAFCJVJX-GOSISDBHSA-N 310.445 3.725 0 40 DHAB COc1ccccc1NC(=O)NCCOc1cc(C)ccc1C 224053392 SDIZHJZXRYRWJC-UHFFFAOYSA-N 314.385 3.513 0 40 DHAB CCOc1ccc(C(=O)NC2CCCC2)cc1COCC(C)C 224734308 SBIYFXHRMQSTKF-UHFFFAOYSA-N 319.445 3.930 0 40 DHAB O=C(/C=C/c1ccco1)NCc1cccnc1-c1ccsc1 225644279 CXPSUCPVORQJGN-AATRIKPKSA-N 310.378 3.733 0 40 DHAB C[C@H](NC(=O)c1snnc1-c1cccs1)c1ccccc1 225787266 LSRRWXMAFVPMPJ-JTQLQIEISA-N 315.423 3.758 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1Cl 238825241 DOZLPYRJRDGJSI-UHFFFAOYSA-N 311.834 3.523 0 40 DHAB Cc1cc(CC[C@@H]2CCCN2C(=O)Cc2ccsc2)ccn1 257235384 GXPPFWOYOWOQRL-KRWDZBQOSA-N 314.454 3.618 0 40 DHAB CCCCc1ccc(NC(=O)C(=O)NCc2cccc(C)c2)cc1 408709961 ZXUOUEAAZWUTMG-UHFFFAOYSA-N 324.424 3.593 0 40 DHAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1cccs1 408802680 GBESHXAPKKHRSJ-UHFFFAOYSA-N 305.379 3.650 0 40 DHAB COc1ccc(CCCC(=O)Nc2ccccc2OC)cc1C 408913578 MZCNRAJRDXPGHM-UHFFFAOYSA-N 313.397 3.974 0 40 DHAB c1cncc([C@H]2CCN(Cc3ncc(-c4cccs4)o3)C2)c1 518764902 BFMHQQVDVBXHFA-AWEZNQCLSA-N 311.410 3.788 0 40 DHAB O=C(COc1ccccc1)c1ccc(OC(F)(F)F)c(F)c1 575242960 OHZYKJFUDPZOMB-UHFFFAOYSA-N 314.234 3.986 0 40 DHAB COc1cccc(Cn2cc(NC(=O)C(C)(C)C)cn2)c1Cl 585097914 CERRCJZKOQUAJT-UHFFFAOYSA-N 321.808 3.578 0 40 DHAB CCOC(=O)c1nc2cc(OC)ccc2c(Cl)c1Cl 685936857 COEOWWUSQFUEQY-UHFFFAOYSA-N 300.141 3.727 0 40 DHAB Cc1cnccc1OCC1CCN(c2nccc3occc23)CC1 1888897480 FZTPWCPYCQCMDJ-UHFFFAOYSA-N 323.396 3.827 0 40 DHAB Cc1cccc(NC(=S)NC(=O)/C=C/c2cccs2)c1 362950 GWZRQXZAFHJVTD-BQYQJAHWSA-N 302.424 3.583 0 40 DHAB CCOc1ccc(-c2nnc3n2N=C(C(C)(C)C)CS3)cc1 532454 GCHYGDHSTHEAEF-UHFFFAOYSA-N 316.430 3.700 0 40 DHAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccco1 560649 OSQWYHHAALWYLV-UHFFFAOYSA-N 303.362 3.989 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1cc(C)nc2ccccc12 920291 IJUCKMQAHYZPFC-UHFFFAOYSA-N 320.348 3.582 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)o2)n1 2778839 DVFTYOVNBFLYKW-KBPBESRZSA-N 315.417 3.544 0 40 DHAB COc1ccc2c(CC(=O)Nc3ccccc3OC)coc2c1 3481773 BCWGMHVXPZXOTN-UHFFFAOYSA-N 311.337 3.631 0 40 DHAB COc1ccc(C(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)cc1 4084649 PPQMPFFNUKULCN-UHFFFAOYSA-N 320.392 3.683 0 40 DHAB biogenic CCCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 4696242 APHAIUNVWGAXLA-UHFFFAOYSA-N 310.397 3.859 0 40 DHAB C[C@H](Sc1nnnn1-c1ccccc1)c1ccc(F)cc1 5938114 BYKAMBZEIMQTEF-NSHDSACASA-N 300.362 3.655 0 40 DHAB Cc1c(Cl)cccc1NC(=O)Cc1ccc2c(c1)OCCO2 6215806 PIWNEBXYBBYPFN-UHFFFAOYSA-N 317.772 3.601 0 40 DHAB Cc1cc(=O)n(C)c2nc(-c3cccs3)cc(C(F)(F)F)c12 6585740 BCRDPYCCSKOFIA-UHFFFAOYSA-N 324.327 3.989 0 40 DHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(C)c(C)c3)oc2c1 6811240 NMEDNVRJBMVCLX-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB COc1cc(CNC2CCCCCCC2)cc(OC)c1OC 7523480 CCUMLECIHVKTCL-UHFFFAOYSA-N 307.434 3.915 0 40 DHAB CC(=O)Nc1ccc(NC(=O)CCn2ccc3ccccc32)cc1 9517065 ZNYZTRQPMUYRKD-UHFFFAOYSA-N 321.380 3.629 0 40 DHAB Cc1csc(NC(=O)Cc2csc(-c3cccs3)n2)n1 10554963 KOFJDEJXKMJKPT-UHFFFAOYSA-N 321.452 3.818 0 40 DHAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2cc(C)ncn2)c(C)c1 12016724 TYUPBSZVEWFMHQ-CQSZACIVSA-N 315.442 3.830 0 40 DHAB CCC[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1cccs1 12200023 DOPKYUTXEZBFEP-GFCCVEGCSA-N 305.447 3.876 0 40 DHAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1 12900317 JCTRPGZLAFDBPX-NSHDSACASA-N 321.323 3.770 0 40 DHAB COCCn1c(-c2cccs2)cs/c1=N/c1cccnc1 13140293 LCXVNQKNCPIPMO-BMRADRMJSA-N 317.439 3.552 0 40 DHAB CC(C)[C@H](NC(=O)CC1(C(=O)O)CCCC1)c1ccc(F)cc1 13468976 MEBBEGRYJNQLGN-INIZCTEOSA-N 321.392 3.674 0 40 DHAB Cc1ccc(C)c(Cn2c3ccccc3n3c(S)nnc23)c1 13534378 XFMMBQKNYMFSMR-UHFFFAOYSA-N 308.410 3.638 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 14396136 ZHWCQIPBMGRHLL-UKRRQHHQSA-N 309.413 3.820 0 40 DHAB CC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 17602935 IWVJJZJGBSHWNE-HNNXBMFYSA-N 324.424 3.682 0 40 DHAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1F 20137725 SNIKRJIRBARWKC-UHFFFAOYSA-N 311.312 3.830 0 40 DHAB O=C(c1cccs1)N1CCCC[C@H]1CCN1CCCCC1 21170453 CBWLDACJAQNNJU-HNNXBMFYSA-N 306.475 3.619 0 40 DHAB COCC(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 25792337 WRKXMLKMLAVNID-UHFFFAOYSA-N 323.751 3.643 0 40 DHAB Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)o1 26980882 BGRQWXYJGCZOBS-UHFFFAOYSA-N 321.760 3.963 0 40 DHAB C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)c1cnn(C)c1 27919282 VQBGXKQRSVSZDW-QMMMGPOBSA-N 313.188 3.610 0 40 DHAB CC(=O)NCCc1ccc(-c2csc(C3CC3)n2)cc1F 30447135 GORNBWDDCWGONO-UHFFFAOYSA-N 304.390 3.505 0 40 DHAB Cc1cccc(Cn2nccc2NC(=O)CCc2ccccc2)c1 30528401 VUALGGZIYGBYTL-UHFFFAOYSA-N 319.408 3.811 0 40 DHAB CSc1ccc(NC(=O)[C@H](C)n2cnc3ccccc32)cc1 31819942 FCSQMXILMWGYKK-LBPRGKRZSA-N 311.410 3.958 0 40 DHAB CC(=O)Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1 32104326 VUNZXZFDEFQSPL-UHFFFAOYSA-N 307.227 3.837 0 40 DHAB COc1ccc(CN[C@H]2CCSc3ccccc32)cc1O 32735857 WJOFLWBNFDJVDA-AWEZNQCLSA-N 301.411 3.728 0 40 DHAB O=C(CC1CCCCC1)Nc1cccc(N2CCOC2=O)c1 32816835 IHANJTDZXGHFRP-UHFFFAOYSA-N 302.374 3.552 0 40 DHAB CC(=O)N[C@@H](C(=O)Oc1ccc(Cl)c2ccccc12)C(C)C 35870917 ZXKZKWLEPGVQJC-MRXNPFEDSA-N 319.788 3.559 0 40 DHAB COc1cccc2cc(-c3nn4c(C(C)C)nnc4s3)oc12 36366392 XKXZSFGEDDIZLX-UHFFFAOYSA-N 314.370 3.731 0 40 DHAB O=C(/C=C/c1cccs1)NCc1cc(-c2cccs2)on1 36662419 YMJKBLLQOPLYFL-AATRIKPKSA-N 316.407 3.794 0 40 DHAB CC[C@@H](NCc1c[nH]nc1C)c1ccc(Br)cc1 37886425 OMCVDSWLSNYPJR-CQSZACIVSA-N 308.223 3.722 0 40 DHAB O=C(CSc1ccc(O)cc1)N1CCSc2ccccc21 37995730 HJAQYSWRTPLLCS-UHFFFAOYSA-N 317.435 3.623 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc(Cl)c2)o1 40159494 GEMIPSKRPCFQAQ-GFCCVEGCSA-N 307.777 3.667 0 40 DHAB Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=O)CCC2 41613944 KZDAEUFMYBATIS-UHFFFAOYSA-N 320.348 3.908 0 40 DHAB CCOC(=O)CCCCCCC(=O)c1cccc(N(C)C)c1 43214355 XHHAKQCSCUBPBY-UHFFFAOYSA-N 305.418 3.839 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 44106482 ICZCCWMCMNRIRH-DOMZBBRYSA-N 303.406 3.735 0 40 DHAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n(C(C)(C)C)n1 45783723 NRAZGGRPGCIGEN-HUUCEWRRSA-N 315.392 3.828 0 40 DHAB Cc1cc(C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)on1 65492260 CKAHQZFXQCNXBB-ZDUSSCGKSA-N 313.401 3.595 0 40 DHAB O=C1OCCN1CCCN1CCC[C@H]1c1cccc2ccccc12 65953569 XCUQEOQUXOWYKB-IBGZPJMESA-N 324.424 3.819 0 40 DHAB COc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=N)oc12 67341959 JFOXEQRZLOPUKN-UHFFFAOYSA-N 322.364 3.790 0 40 DHAB O=C(Nc1ccc2cc[nH]c2c1)C1(c2ccccc2)CCOCC1 70666617 WMZNSLSSGAZMHA-UHFFFAOYSA-N 320.392 3.855 0 40 DHAB biogenic COCCn1ccc2cc(NC(=O)N3CCC[C@H](C)C3)ccc21 71803408 BGTIGWZQZAPJRK-AWEZNQCLSA-N 315.417 3.552 0 40 DHAB Cc1csc([C@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)n1 72298754 IPXAQKWQTFAIEB-CABCVRRESA-N 317.458 3.610 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccncc1)[C@H]1C[C@@H]1c1ccco1 84525069 QNNIAOYVBCOICF-JENIJYKNSA-N 318.376 3.684 0 40 DHAB CC(C)c1ccc(NC(=O)NCC2(CO)CCCCC2)cc1 95409306 JECCDAHXIFFTKQ-UHFFFAOYSA-N 304.434 3.874 0 40 DHAB Cc1c(-c2ccc(F)cc2)nn2c(-c3ccncc3)ccnc12 95476577 LWHCHJBSXNWYKS-UHFFFAOYSA-N 304.328 3.906 0 40 DHAB CC(C)(C)OC(=O)N1CC2(CC(OCc3ccccc3)C2)C1 95935924 FZOPVLTXCLJRJV-UHFFFAOYSA-N 303.402 3.603 0 40 DHAB CCN(CC)CCN[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 95976389 QCRBTYKRRSWVGY-JTQLQIEISA-N 304.265 3.568 0 40 DHAB CCOc1cc(C(C)(C)C)ccc1I 96032033 GWLABQRIJQCIBU-UHFFFAOYSA-N 304.171 3.987 0 40 DHAB CO[C@@H](CNC(=O)c1ccc(Cl)s1)c1cccc(F)c1 96388023 ICIAZXCZXWVDEG-NSHDSACASA-N 313.781 3.658 0 40 DHAB C[C@@H](NC(=O)C1CCNCC1)c1ccc(Oc2ccccc2)cc1 96481238 QPFFACLBUYKOMA-OAHLLOKOSA-N 324.424 3.656 0 40 DHAB O=C(CSCc1ccc(Cl)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100228498 FVARRZHXSIQVPL-NFAWXSAZSA-N 309.862 3.878 0 40 DHAB S=C(NC[C@H]1C[C@H]2CC[C@H]1C2)NC12CC3CC(CC(C3)C1)C2 100984574 ZKIRMNJOJCYFMQ-OCGHMNHXSA-N 318.530 3.856 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1nc(C(C)(C)C)cs1 106796970 NWUYFUWKPVQZIJ-MRVPVSSYSA-N 311.838 3.913 0 40 DHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108869734 ONTIKEHAUCIUQA-LMOYCYGVSA-N 307.821 3.660 0 40 DHAB COc1cccc(CCCNC(=O)c2cc3ccccc3o2)c1 171252407 YVDFHPWJZOBFST-UHFFFAOYSA-N 309.365 3.804 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(COC)c1 224620645 GBZXXPHROHUIDL-GOSISDBHSA-N 313.397 3.938 0 40 DHAB Cc1cccc(NC(=S)NCCCc2ccc(Cl)cc2)n1 225545624 MCWYTIODUGOBQT-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB CC(C)CNC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 227154439 QNBAPXDBCYTLJE-UHFFFAOYSA-N 319.836 3.756 0 40 DHAB CCCN1C(=O)N/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 409234804 YIRWXQOETVODIQ-XNTDXEJSSA-N 311.385 3.525 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2CC(=O)O)CC1 953109371 AXBOOEJAYPQSSH-ZDUSSCGKSA-N 311.422 3.669 0 40 DHAB CN(C)c1ccc(C(=O)NCC(C)(C)c2ccsc2)cc1 1888919557 HSDOIYUJQZFNLD-UHFFFAOYSA-N 302.443 3.522 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1 45005 FQPBMLQDWYMZMD-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CC[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O 76957 RIESFNLXSIWHHP-AWEZNQCLSA-N 307.353 3.572 0 40 DHAB FC(F)(F)c1c2c(nc3cc(-c4ccccc4)nn13)CCC2 253399 OISKJOHESQFXRX-UHFFFAOYSA-N 303.287 3.904 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2cccc3cccnc23)c1 361917 UEYJCQPPZFXYRT-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1cc(C)cc(C)c1 574308 JANJCNASLJBSJK-CMDGGOBGSA-N 311.381 3.973 0 40 DHAB CCC(C)(C)[C@@H]1CCc2c(sc3nc(C)n(O)c(=O)c23)C1 800781 OVPBHDVUYGOYIV-SNVBAGLBSA-N 306.431 3.545 0 40 DHAB C[C@@H]1CCCc2sc3ncn4nc(-c5ccncc5)nc4c3c21 2353463 PLDBBUKDCZQSCS-SNVBAGLBSA-N 321.409 3.841 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2csc3c2CCCC3)cc1 2708092 KDYMEUZBQMZFHL-UHFFFAOYSA-N 314.410 3.838 0 40 DHAB CCN(Cc1ccccc1)C(=S)Nc1ccccc1OC 3341442 CYVHCLVQUKNYNS-UHFFFAOYSA-N 300.427 3.914 0 40 DHAB C[C@H](O)CCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)CC2 3844790 CACXCWDOGLCTAA-HOTGVXAUSA-N 323.436 3.982 0 40 DHAB biogenic Cc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(F)cc32)o1 4161659 YSAHFNIDWJDPBU-UHFFFAOYSA-N 320.327 3.556 0 40 DHAB C(=C/c1nn2c(Cc3ccccc3)nnc2s1)\c1ccccc1 4667776 MWIUSECJJATERU-VAWYXSNFSA-N 318.405 3.947 0 40 DHAB Cc1ccc(SCCNC(=O)COc2ccccc2C)cc1 5546167 KQWVQTOYXNWHTE-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB Cc1c(C)c2ccc(OC(=O)c3cccs3)c(C)c2oc1=O 5548488 ZDFGWNNGZRTQIR-UHFFFAOYSA-N 314.362 3.999 0 40 DHAB Cn1cnnc1SCc1csc(-c2ccc(Cl)cc2)n1 6063497 IRBUGIJRGGNLHD-UHFFFAOYSA-N 322.846 3.884 0 40 DHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 6355906 JMGJDVRKPVEILW-XMTFNYHQSA-N 319.489 3.918 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nccn1C 6369921 FYODCKYDVJXDAW-CYBMUJFWSA-N 317.458 3.971 0 40 DHAB O=c1c(Cl)c(NCc2cccs2)cnn1-c1ccccc1 6581485 CVBNCJBPJGVCEH-UHFFFAOYSA-N 317.801 3.560 0 40 DHAB COc1ccc(CNC2CCCCCCC2)c(OC)c1OC 7523488 BYSNZZJYIOAUTO-UHFFFAOYSA-N 307.434 3.915 0 40 DHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCCCC1 7723941 PFNRLNPKXMKXGA-UHFFFAOYSA-N 322.836 3.695 0 40 DHAB CC(=O)c1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)nc1C 9015895 GXZOUHUUDVCSEQ-UHFFFAOYSA-N 321.384 3.600 0 40 DHAB Cc1noc(C)c1CCC(=O)Nc1ccnn1C1CCCCC1 9516125 FAQOFWPGRRYSJW-UHFFFAOYSA-N 316.405 3.564 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H](c2cccs2)C2CC2)cc1C 10683083 LOCYSJJVYWBMQN-INIZCTEOSA-N 321.467 3.795 0 40 DHAB CCCCC(=O)Nc1nonc1-c1ccc(OCCC)cc1 12062754 SPXPROHELCMNIW-UHFFFAOYSA-N 303.362 3.654 0 40 DHAB C[C@H](Sc1ncc2ccccn12)C(=O)NC1CCCCCC1 12547280 VBSLGLOSBUNVKB-ZDUSSCGKSA-N 317.458 3.654 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 12553625 VICRDGMTEABPTL-DJJJIMSYSA-N 321.376 3.956 0 40 DHAB Cc1ccccc1CC(=O)Nc1nnc(Cc2ccccc2)s1 12874920 QBVWLJAFOIRWAG-UHFFFAOYSA-N 323.421 3.619 0 40 DHAB Cc1cc2n(n1)[C@@H](c1ccc3c(c1)OCO3)Nc1c(C)cccc1-2 13123871 OBURCWCCBGTUBS-IBGZPJMESA-N 319.364 3.868 0 40 DHAB O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2ccccc12 13138852 VOMVPUSQVISCHG-UHFFFAOYSA-N 304.271 3.533 0 40 DHAB CC(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCCCC2)c1 13252510 QXIMIJSFOFSGQY-UHFFFAOYSA-N 317.385 3.643 0 40 DHAB Cc1ccc(C2=N/C(=C\c3cn(C)c4ccccc34)C(=O)O2)cc1 13719888 CLRGYEOORNYKIE-BOPFTXTBSA-N 316.360 3.831 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 13938196 RFIGFAZCINTOJE-MRXNPFEDSA-N 317.454 3.960 0 40 DHAB Cc1ccc(C)c([C@@H](C)NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 14573283 WTBIZIOVUDECEG-RDTXWAMCSA-N 323.392 3.782 0 40 DHAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(-n2ccnc2)cc1 18048193 YZFDRAAZCQTFAN-ZDUSSCGKSA-N 309.344 3.502 0 40 DHAB Fc1ccccc1Cn1c([C@@H]2CCCNC2)cc2cccnc21 19349744 SBLXMHSRLFUKBD-OAHLLOKOSA-N 309.388 3.691 0 40 DHAB CCOc1cc(CN2[C@H]3CC[C@@H]2c2cccnc2C3)ccc1OC 19531883 IXDJRXGHRMRGGT-MAUKXSAKSA-N 324.424 3.751 0 40 DHAB COc1cccc2cc(C(=O)Nc3ccc(F)c(F)c3)oc12 19887889 WZGROCHSOOLYNG-UHFFFAOYSA-N 303.264 3.972 0 40 DHAB CCOc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 21524332 YLLDXWIGKVOXEY-UHFFFAOYSA-N 322.364 3.920 0 40 DHAB c1cc2c(cc1-c1csc(NC[C@@H]3CCCO3)n1)CCC2 25665848 OZNMUAHVNLZXDN-HNNXBMFYSA-N 300.427 3.890 0 40 DHAB Cn1c(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1Cl 29023936 RKQONESGNAQXFX-UHFFFAOYSA-N 316.213 3.529 0 40 DHAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1ccccc1 29873941 DFDIJSUYUFXVCF-GOSISDBHSA-N 318.376 3.505 0 40 DHAB CCn1c(=O)n(Cc2cc(F)cc3cccnc23)c2ccccc21 31609689 MHBFVFLKDCCGEL-UHFFFAOYSA-N 321.355 3.559 0 40 DHAB CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[C@@H]2C(=O)O)CC1 44135616 SWYPSOKKQZJXEP-KBPBESRZSA-N 311.422 3.525 0 40 DHAB Cc1ncc(CN(C)C(=O)C2(c3cccc(Cl)c3)CC2)s1 46771860 ISYBSQHTFWUSQX-UHFFFAOYSA-N 320.845 3.795 0 40 DHAB COc1ccccc1NC(=O)NCc1cccc(OC(C)C)c1 47321942 BIGUZHAHDOIPAG-UHFFFAOYSA-N 314.385 3.804 0 40 DHAB Cc1cc2ccccc2n1CC(=O)N1c2ccccc2C[C@@H]1C 48290671 SCTRUEOZJLZTEC-HNNXBMFYSA-N 304.393 3.928 0 40 DHAB COc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 53387784 IQILZYDMIWVWOO-CQSZACIVSA-N 309.409 3.604 0 40 DHAB Cc1ccc(CC(=O)Nc2ccnn2Cc2ccsc2)s1 58417084 HMPPRLFTUWIKKD-UHFFFAOYSA-N 317.439 3.544 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccn(Cc3ccccn3)n2)C1(C)C 58418172 MIVOLHLQUXJTEM-WBVHZDCISA-N 324.428 3.503 0 40 DHAB COc1cc(C)c(NC(=O)N(C)[C@@H](C)CC(C)C)cc1OC 69492474 HMGLKWKUNSBSCS-ZDUSSCGKSA-N 308.422 3.911 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@H]1C[C@@H]1c1ccccc1F 69753538 LZVVTWAMCUYFCU-KGLIPLIRSA-N 316.401 3.580 0 40 DHAB CN(Cc1ccccc1)c1ccc([C@@H](N)c2ccccc2)cn1 72225378 AOCQHALEMZLCDK-FQEVSTJZSA-N 303.409 3.766 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)o1 72297479 DQMVYLALFWZXET-CYBMUJFWSA-N 304.415 3.681 0 40 DHAB O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc[nH]1 74379430 MZQKKQBQJYZEFD-UHFFFAOYSA-N 306.365 3.524 0 40 DHAB C[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)c1ccccn1 78663381 OLGMZCHMTRJHQP-CQSZACIVSA-N 322.412 3.556 0 40 DHAB C[C@H]1C[C@H](N[C@H]2CCc3[nH]ncc3C2)c2ccsc2S1 90455478 QXLKQBXMTODBIX-CHIMOYNISA-N 305.472 3.544 0 40 DHAB C[S@](=O)Cc1cccc(NCc2ccc(Cl)c(F)c2)c1 95429169 NIWSOTCESFCUKW-HXUWFJFHSA-N 311.809 3.970 0 40 DHAB N=C1S/C(=C/C=C/c2ccccc2)C(=O)N1c1nccs1 96893656 VDNYCBVAYPMJER-SLNZRVHFSA-N 313.407 3.755 0 40 DHAB COc1cccc(C2=N/C(=C/c3cc4ccccc4o3)C(=O)O2)c1 96935639 XSJKHUBRQDMFMH-LFIBNONCSA-N 319.316 3.786 0 40 DHAB Cn1c(CNc2cc(F)c(F)cc2F)nnc1-c1ccccc1 97236965 SNXRKZCWGHACBQ-UHFFFAOYSA-N 318.302 3.512 0 40 DHAB COc1cc2c(cc1OC)CN(Cc1cc(F)cc(F)c1)CC2 179551031 FOZRFQPKXJTPOF-UHFFFAOYSA-N 319.351 3.540 0 40 DHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 222948361 YSOWHLSDGSQCAV-HUUCEWRRSA-N 317.483 3.916 0 40 DHAB C[C@@H](CNS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 224173976 TWULTKOKGYUOIP-ZDUSSCGKSA-N 323.845 3.563 0 40 DHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)cc1 224848610 SKLIVTHIWUEVJN-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB Cc1ccc(SCCCNC(=S)Nc2ccncc2)cc1 225589233 ULLQMVPSJROGOX-UHFFFAOYSA-N 317.483 3.859 0 40 DHAB C[C@@H](O)c1ccc(CCNC(=O)Nc2cccc(Cl)c2)s1 225690515 DJCGUMNIXOMWFE-SNVBAGLBSA-N 324.833 3.819 0 40 DHAB CC1(C)C[C@H](NC(=O)NC2CCCCC2)c2ccccc2O1 225756729 IWNWVMFASDRTER-HNNXBMFYSA-N 302.418 3.921 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1C 225882950 NMGRDKSRMAWZBX-UHFFFAOYSA-N 305.324 3.853 0 40 DHAB CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(F)c1 226261120 DUYSMURPQYCDSB-UHFFFAOYSA-N 301.365 3.506 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 245188064 ZYTZWQFHAOSDHY-KRWDZBQOSA-N 311.337 3.543 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)s1 257315338 VAWJDLGHDRJHHP-AWEZNQCLSA-N 300.427 3.546 0 40 DHAB O=C(COc1ccccc1F)NC1(c2cccs2)CCCC1 390827357 GLOBRIDJEFUWJD-UHFFFAOYSA-N 319.401 3.852 0 40 DHAB Cc1ccc(SCC(=O)NCCSCc2ccco2)cc1 408921578 IYNAXJMPYKMSFT-UHFFFAOYSA-N 321.467 3.730 0 40 DHAB CCS[C@@H]1CCCCN(C(=O)c2ncoc2C(C)(C)C)C1 585089618 LIGZRKGRISHSDW-GFCCVEGCSA-N 310.463 3.720 0 40 DHAB Cc1csc([C@@H](C)NC(=O)NCc2ccc3occc3c2)n1 660554672 KWUCAINATVHZOT-LLVKDONJSA-N 315.398 3.758 0 40 DHAB O=C(O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 141597 ZDKYIQBMASAZLU-UHFFFAOYSA-N 309.243 3.656 0 40 DHAB Fc1cccc(-c2nnc3sc(-c4ccccc4F)nn23)c1 385560 LSLCEBPJCFYPJG-UHFFFAOYSA-N 314.320 3.798 0 40 DHAB CCc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)cc1 527132 YWICXDCTIYFNJX-DLBZAZTESA-N 319.412 3.569 0 40 DHAB COC(=O)[C@H]1C[C@H]2C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 1727606 RMGMMNIDJJIAOL-FXLGRURVSA-N 324.418 3.650 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)c1 1934388 GGEPJDOBWPYZCE-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C)cs2)cc1 3413569 ZCDXXCUXKIXPJS-LLVKDONJSA-N 320.439 3.773 0 40 DHAB COc1cccc(C(=O)Nc2ccccc2OC(F)F)c1OC 3456049 UUWVUMCUMLIZMX-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB Cn1c(S)nnc1CSc1ccnc2cc(Cl)ccc12 4287737 CMIUIVMFUDYLGS-UHFFFAOYSA-N 322.846 3.598 0 40 DHAB Cc1ccc(C(=O)c2sc(NCc3ccccc3)nc2N)cc1 4772004 ZPFFLTSCJZLUEP-UHFFFAOYSA-N 323.421 3.877 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C 5371992 LESSLKODKUVRSZ-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB COc1ccc2c(c1)OCC/C2=C\CC1(C)C(=O)CCCC1=O 5423710 VURZROYUBUGACM-MDWZMJQESA-N 314.381 3.580 0 40 DHAB CCOC(=O)c1sc2nc(C)nc(NC3CCCC3)c2c1C 6602565 JASOCCYPCJLTFF-UHFFFAOYSA-N 319.430 3.839 0 40 DHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 7218015 BIUOFYISKNTURG-JTQLQIEISA-N 313.781 3.519 0 40 DHAB Cc1ccccc1NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 7400140 RTQJMFWLXRNQFX-UHFFFAOYSA-N 314.385 3.757 0 40 DHAB O=C(Nc1ccc(F)cc1)c1cc(=O)c2cc(Cl)ccc2o1 7915478 SVBORRMPUHEYOE-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1SC 8479117 ANJAQAXCJSCEKJ-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB Cc1ccccc1-n1nnnc1S[C@H](C)c1ccc(F)cc1 9257507 GELJEKBWGIILGL-GFCCVEGCSA-N 314.389 3.963 0 40 DHAB Cc1cc(CNC(=O)c2cccc(Br)c2)ccc1F 11199969 ONKMAJFURKJIGT-UHFFFAOYSA-N 322.177 3.827 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cc(=O)c2ccccc2o1 12209724 TVOMBTDQLPTTOT-UHFFFAOYSA-N 305.333 3.534 0 40 DHAB Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 12560418 ISKJCGUXCYCXIP-KRWDZBQOSA-N 320.396 3.640 0 40 DHAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 12621401 RQMUKPKZZSHPIL-LBPRGKRZSA-N 322.364 3.882 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H]2CCSc3ccccc32)cc1 12914572 FBRBZOGIOVPHEL-HNNXBMFYSA-N 319.451 3.510 0 40 DHAB O=C(Nc1ccc(Cl)cn1)c1cc(Br)cs1 13324282 ZAOYPKBCXYXFRS-UHFFFAOYSA-N 317.595 3.811 0 40 DHAB CN1O[C@H](COC(=O)Nc2ccccc2)C[C@@H]1c1ccccc1 13396531 WMPYXEVAXFMACV-DLBZAZTESA-N 312.369 3.612 0 40 DHAB O=C(O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 13439584 JAXLYFMPMURDJD-UHFFFAOYSA-N 305.333 3.719 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)c1cccc(Cl)c1 13672673 CENAUFREANMIOP-MRXNPFEDSA-N 308.853 3.724 0 40 DHAB CC(C)NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14231205 VUDTVOILDGCSSS-UHFFFAOYSA-N 307.353 3.542 0 40 DHAB CC(=O)N1c2ccc(-c3cn4ccc(C)cc4n3)cc2C[C@@H]1C 19238208 PXEHRFQAYAXFJO-ZDUSSCGKSA-N 305.381 3.607 0 40 DHAB CCCC12CN3CC(CCC)(CN(C1)C3c1cccs1)C2=O 19324540 QOJZDITVVRYCFY-UHFFFAOYSA-N 318.486 3.534 0 40 DHAB CC(C)Oc1ccccc1[C@@H]1SCC(O)=Nc2n[nH]cc21 20717311 NFZXCFWLHAEMCU-AWEZNQCLSA-N 303.387 3.621 0 40 DHAB CCc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 22254831 QGNJGWPTLQTTCD-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 23742783 VBQRROMATMEESJ-UHFFFAOYSA-N 323.483 3.866 0 40 DHAB Cc1[nH]c2c(C(=O)Nc3nnc(C4CC4)s3)cccc2c1C 24763596 LVPVNHQGERQXSR-UHFFFAOYSA-N 312.398 3.766 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCc2ccccc21 24833800 WHGYAIUGKNBWOM-IBGZPJMESA-N 318.420 3.947 0 40 DHAB CC(=O)NCc1ccc(-c2csc(Cc3ccccc3)n2)o1 25317995 SISDYHKWUQIDQK-UHFFFAOYSA-N 312.394 3.630 0 40 DHAB Cc1cnc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cn1 25929614 GEQRBRQFZPSOAS-UHFFFAOYSA-N 320.352 3.570 0 40 DHAB O=C(NCCc1ccccc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26294135 LLJICXMXERTZKL-KGLIPLIRSA-N 314.351 3.649 0 40 DHAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 28384088 GGAWBWZDPWNXQA-XHDPSFHLSA-N 322.330 3.583 0 40 DHAB CC1CCN(CC(=O)N[C@H](C)c2cccc3ccccc23)CC1 29597309 ZBIRHPOFOVSPBM-MRXNPFEDSA-N 310.441 3.749 0 40 DHAB O=C1c2ccc(Cl)cc2CCc2cc(Br)cnc21 31777110 CSUZZEVXBPNANR-UHFFFAOYSA-N 322.589 3.827 0 40 DHAB C[C@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1ccco1 35239013 DWPBAHXBPDEVPZ-JTQLQIEISA-N 300.745 3.972 0 40 DHAB CC(=O)O[C@H]1[C@H](c2ccccc2)CC[C@H](c2ccccc2)[C@@H]1O 35464639 RRGRXDIGPVAQIW-FYQPLNBISA-N 310.393 3.640 0 40 DHAB biogenic,in-vitro Cc1nc2ccc(C(=O)N3CCCc4ccccc43)cc2nc1C 36139411 YFXLXZGJMMQIPE-UHFFFAOYSA-N 317.392 3.840 0 40 DHAB CSCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 40151922 GZBLWUJUKDYFCT-HNNXBMFYSA-N 314.410 3.629 0 40 DHAB Cc1nc2cc(N[C@@H](C)c3nc(C(C)(C)C)no3)ccc2o1 40511393 HKRQQJJPLBRNJZ-VIFPVBQESA-N 300.362 3.990 0 40 DHAB Cc1ccc(C)c(NC(=S)NCCCN2CCC[C@@H](C)C2)c1 44080838 KTEUWZDFLMRPAA-OAHLLOKOSA-N 319.518 3.712 0 40 DHAB COC1CCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1 46182707 RCNPFVTXMOJBSP-UHFFFAOYSA-N 319.401 3.805 0 40 DHAB CCSc1ccccc1NC(=O)NCCc1ccccn1 47856210 JWXDDZWAMZGSSE-UHFFFAOYSA-N 301.415 3.558 0 40 DHAB COc1ccc(Oc2ncccc2NC(=O)N2CCCC2)cc1 48220277 IVKJWJRPJJWYAK-UHFFFAOYSA-N 313.357 3.510 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)C1CCC1 48263817 HKMWAMSBDSFANF-GOSISDBHSA-N 305.381 3.569 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Nc2cccc(F)c2C)c1 51354519 FBSJRBPECCWEQG-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB CCc1cc2c(CN[C@@H](C)c3ccccc3)cc(=O)oc2cc1O 57886702 WGCRXLOGKOQKTC-ZDUSSCGKSA-N 323.392 3.912 0 40 DHAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccc(Cl)cc1 59244747 NNNWJMDVNOQUEZ-CYBMUJFWSA-N 317.882 3.976 0 40 DHAB Cc1n[nH]c(C)c1/C=C/c1cc(C(=O)O)c2ccc(F)cc2n1 65562943 REMIETUEQSHHSY-GQCTYLIASA-N 311.316 3.582 0 40 DHAB Cn1cc([C@@H]2C[C@H]2C(=O)Oc2ccc(-c3ccccc3)cc2)cn1 69148371 MEUKTRUBRBVPNB-RBUKOAKNSA-N 318.376 3.796 0 40 DHAB C[C@@H](c1cnn(-c2ccccc2)c1)n1ccnc1-c1ccco1 71749857 URQKRGCIYAOUDR-AWEZNQCLSA-N 304.353 3.938 0 40 DHAB CCN1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214489 VSMRKWUJCNCLKE-CQSZACIVSA-N 305.422 3.610 0 40 DHAB CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215367 CYRMQZWQBXZVQE-HNNXBMFYSA-N 317.433 3.752 0 40 DHAB Cc1csc([C@@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)n1 72298753 IPXAQKWQTFAIEB-HUUCEWRRSA-N 317.458 3.610 0 40 DHAB Cc1cccc(-c2[nH]ncc2C(=O)N[C@H]2CCc3ccccc32)c1 72329146 DZJWTMLODHEEHH-SFHVURJKSA-N 317.392 3.802 0 40 DHAB CCOc1c(F)cccc1C(=O)N1CCCc2ccc(F)cc21 74244935 JOULOEMXYXDCQR-UHFFFAOYSA-N 317.335 3.957 0 40 DHAB Cc1cc(CC(=O)Nc2nc3ccccc3n2C2CCCC2)no1 76933658 QCCPJYJHDIMHSS-UHFFFAOYSA-N 324.384 3.629 0 40 DHAB NC(=S)c1ccc(-c2ccc(Br)cc2Cl)o1 78407063 IBMQFULUDVVINQ-UHFFFAOYSA-N 316.607 3.997 0 40 DHAB O=C(NCCSCCCO)c1ccc(C2CCCCC2)cc1 79109896 OJYQQRLHRICIAE-UHFFFAOYSA-N 321.486 3.580 0 40 DHAB COc1ccc(NCc2cn(-c3ccccc3)nc2C)cc1OC 79753074 TYILEMCTHSUMPH-UHFFFAOYSA-N 323.396 3.810 0 40 DHAB C[C@@H](CCc1ccc(Br)cc1)NC1CCOCC1 95420727 NSSMWYPJMGBSEG-LBPRGKRZSA-N 312.251 3.539 0 40 DHAB COCc1ccccc1C(=O)NCCc1cc2ccccc2o1 96417068 SBTZPAMUOOOGCM-UHFFFAOYSA-N 309.365 3.552 0 40 DHAB CC(C)(C)n1cc(N[C@H](Cc2ccncc2)C(F)(F)F)cn1 97038618 ZCLICEWAJCMZHU-CYBMUJFWSA-N 312.339 3.619 0 40 DHAB Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccncc1F)CCC2 97135690 FFPZVCHYXYUWDL-CYBMUJFWSA-N 320.393 3.527 0 40 DHAB Cc1ccc(Cn2c(=S)[nH]c3ccsc3c2=O)cc1C 103647299 DQMFIEZMSFWTHH-UHFFFAOYSA-N 302.424 3.786 0 40 DHAB COc1ccc([C@@H]2C[C@@H](C)N(Cc3nc(C)c(C)o3)C2)cc1 110607746 BYBMAZJWTHVUAJ-MLGOLLRUSA-N 300.402 3.678 0 40 DHAB Cc1nnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)s1 152307450 WWQRHDRFWNAEOS-NSHDSACASA-N 320.487 3.566 0 40 DHAB Cc1cccc(OCC(=O)n2cc(C=O)c3ccccc32)c1C 216725034 IGTHAIUHZZKYCR-UHFFFAOYSA-N 307.349 3.790 0 40 DHAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 222903680 IUMFZIOFESBUSW-LSDHHAIUSA-N 317.483 3.772 0 40 DHAB CSc1ccccc1C(=O)NCCOc1cc(C)ccc1C 223981760 CTAXKGGGYDUKAS-UHFFFAOYSA-N 315.438 3.834 0 40 DHAB CN(CCCNC(=O)Cc1cccc(Cl)c1)c1ccccc1 225435768 KDEZJXIEPOFOKR-UHFFFAOYSA-N 316.832 3.525 0 40 DHAB CCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257238947 HNFKPXWXILWENX-CQSZACIVSA-N 316.376 3.521 0 40 DHAB CO[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)CC1(C)C 517217454 RTXHMYOROSMVFC-HNNXBMFYSA-N 309.837 3.546 0 40 DHAB Cc1cc(OC[C@@H]2CCCN(c3nc4ccccc4o3)C2)ccn1 1888888423 ZEXHQTUTGOTJST-OAHLLOKOSA-N 323.396 3.827 0 40 DHAB O=C1O[C@@H](Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 32917 QBUQBJFTVLGTKT-CYBMUJFWSA-N 309.243 3.866 0 40 DHAB CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1C(=O)OC 35542 QSTBODVXYSWBJW-DMDPSCGWSA-N 321.442 3.780 0 40 DHAB COc1ccccc1-c1nn2c(C3CCCCC3)nnc2s1 540268 KMEHRFYZZIKUMO-UHFFFAOYSA-N 314.414 3.909 0 40 DHAB O=C1c2ccccc2C(=O)N1OCc1cc(Cl)ccc1Cl 1397321 OCHLPMIDBOBYBN-UHFFFAOYSA-N 322.147 3.721 0 40 DHAB CCCNC(=O)c1cccc(-c2cccc(C(=O)NCCC)c2)c1 1705617 JZPWBXZOODEJHV-UHFFFAOYSA-N 324.424 3.633 0 40 DHAB CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4079476 ZHVRLUYZXWCWME-UHFFFAOYSA-N 319.333 3.531 0 40 DHAB O=C(Nc1nnc(-c2ccco2)o1)c1ccc2ccccc2c1 4107307 SPMUZUSJYBJFOE-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB aggregator COc1cccc2sc(Nc3nnc(-c4ccco4)o3)nc12 4137643 KBFSSUZRNKATNN-UHFFFAOYSA-N 314.326 3.692 0 40 DHAB CO[C@@](F)(C(=O)Nc1c(Cl)cccc1Cl)C(F)(F)F 4141915 RNQBUMQKMDGXMX-VIFPVBQESA-N 320.069 3.806 0 40 DHAB CC(=O)Oc1ccccc1/C=C/c1ccc2ccccc2[n+]1C 4183876 YKFRQCIUMCEUJX-WYMLVPIESA-N 304.369 3.760 0 40 DHAB CCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 4384999 ZZJLAQCZNZGXDR-UHFFFAOYSA-N 313.445 3.685 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc21 5442839 PTJIUEYPNRYUGO-SCLBCKFNSA-N 313.372 3.787 0 40 DHAB CCCC[C@H](CC)CNC(=O)Cc1ccc(OC)c(OC)c1 5467692 AUJFMCDPDRTPRE-AWEZNQCLSA-N 307.434 3.579 0 40 DHAB CC(=O)[C@H]1C[C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C 5481213 CVFOBQGADLDVRC-NNKBYLESSA-N 317.473 3.713 0 40 DHAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(C)cc1Cl 7976264 LZQYWGFEIGBZBF-UHFFFAOYSA-N 316.788 3.902 0 40 DHAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(Cl)c1 8699174 USODXQCOJVBWAY-DLBZAZTESA-N 315.800 3.640 0 40 DHAB Cc1csc([C@@](O)(c2c[nH]c3ccccc23)C(F)(F)F)n1 8941345 UHSKOYIFAUHLAI-ZDUSSCGKSA-N 312.316 3.731 0 40 DHAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1C 9140068 FDQDUQICTNTOAE-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB O=C(NCc1ccccc1F)Nc1nc2ccccc2s1 10037523 IPILSJSXMRPWBT-UHFFFAOYSA-N 301.346 3.757 0 40 DHAB CC(C)CN1C(=O)S[C@@H](Nc2ccc(F)c(Cl)c2)C1=O 10152110 CGEYWOMNRSWZPK-LLVKDONJSA-N 316.785 3.569 0 40 DHAB Cc1ccc(CNC(=O)c2ccc(CN3CCCC3)cc2)cc1 10367163 QRGLXBWBDQVBQN-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB COc1cccc2cc(-c3csc(NC(=O)C4CC4)n3)oc12 10748184 RJPDWRPUHHBCQA-UHFFFAOYSA-N 314.366 3.913 0 40 DHAB O=C(Nc1nc(-c2cccs2)ns1)c1ccccc1F 11914310 VQIUXNAYGXFLFT-UHFFFAOYSA-N 305.359 3.658 0 40 DHAB CCCCC(=O)Nc1nonc1-c1ccc(OCC(C)C)cc1 11915524 UMZVNGIBBITKAW-UHFFFAOYSA-N 317.389 3.900 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)Nc3ccccn3)ccc2c1 12526918 LRGQEYWHJDHISB-ZDUSSCGKSA-N 306.365 3.986 0 40 DHAB CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NC(=O)C(=O)c1c[nH]c2ccccc12 15022472 STGUCNRVLTUQJT-FOPRYUNUSA-N 324.424 3.682 0 40 DHAB CSc1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 16050922 PCLVNRFYFLXFFF-UHFFFAOYSA-N 310.378 3.502 0 40 DHAB COc1ccc(CN(C)C(=S)Nc2ccccc2)cc1OC 16316401 ZNLHJMSSXDNGIE-UHFFFAOYSA-N 316.426 3.533 0 40 DHAB Cc1cccc(NC(=S)NCCc2ccc(O)cc2)c1C 17025183 QMUIWSUGLHHCGV-UHFFFAOYSA-N 300.427 3.538 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)CCc1c[nH]c2ccccc12 18080408 QDCPEYLGIWYGIX-UHFFFAOYSA-N 310.372 3.898 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NC2CCCCC2)cc1OC 20486843 ZBIMRPWWEVYJIG-GFCCVEGCSA-N 323.458 3.633 0 40 DHAB FC(F)(F)c1ccccc1CNC[C@@H]1NCCc2ccccc21 20528361 WVAZFWKUGWRAPQ-KRWDZBQOSA-N 320.358 3.682 0 40 DHAB Oc1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 23674385 DXHKMBXVSSXFQI-UHFFFAOYSA-N 320.795 3.507 0 40 DHAB CCc1ccccc1NC(=O)CN(C)[C@H]1CCc2ccccc21 29810601 ZWRMJKWVUYCIOD-IBGZPJMESA-N 308.425 3.807 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)cc1 31774864 GAMLYPPXLRZLPL-CQSZACIVSA-N 311.381 3.647 0 40 DHAB CC(C)OC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 32736355 CGILNQBZQCAONE-UHFFFAOYSA-N 322.364 3.985 0 40 DHAB O=C(Nc1c(F)cccc1F)N1CCO[C@@H](c2ccccc2)C1 38569935 LSUDASYQAHKTCN-OAHLLOKOSA-N 318.323 3.570 0 40 DHAB CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)c3cccs3)C2)n1 41122610 FANSAYKBMSBJSJ-NWDGAFQWSA-N 319.430 3.664 0 40 DHAB COc1cccc(-c2ncc(C(=O)O)c(Nc3ccccc3)n2)c1 49469657 PPGNNRSYSYZKLH-UHFFFAOYSA-N 321.336 3.594 0 40 DHAB CCOC(=O)N(C)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 54312931 MCNSLPBZKJLNEQ-CYBMUJFWSA-N 302.374 3.574 0 40 DHAB Cc1ccc(NC(=O)C(C)C)cc1NCc1nc(C(C)C)no1 55844631 CTSUOGZUCSUGBY-UHFFFAOYSA-N 316.405 3.708 0 40 DHAB COC(=O)c1cc(Nc2ccc(N(C)C)cc2)c2ccccc2n1 56984574 WREMKEGVKODVIK-UHFFFAOYSA-N 321.380 3.831 0 40 DHAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc[nH]1 57331784 FKTACMFKRUVEMU-CQSZACIVSA-N 311.410 3.644 0 40 DHAB COc1cc(CNc2ccccc2)cc(OC)c1OC(F)F 57991402 GAQRKDJPMHAFED-UHFFFAOYSA-N 309.312 3.917 0 40 DHAB CC(=O)Nc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1 58159943 TXAZJAPWJCDJKU-UHFFFAOYSA-N 303.406 3.687 0 40 DHAB O=C(CC1CCCC1)Nc1ncccc1OCc1ccncc1 69417004 HGUXONQPQPIWNG-UHFFFAOYSA-N 311.385 3.574 0 40 DHAB O=C(NO[C@H]1CCCCO1)c1ccc(-c2ccccc2Cl)o1 69417460 ZHMNXZIIWQUWGL-HNNXBMFYSA-N 321.760 3.788 0 40 DHAB CC(C)Oc1ccc(CNC(=O)N(C)Cc2ccco2)cc1F 71879931 LEKUQUPJBPCDIT-UHFFFAOYSA-N 320.364 3.548 0 40 DHAB C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)CCc1cscn1 78874591 VGPDEGWBRPLOEB-JKIFEVAISA-N 314.454 3.869 0 40 DHAB O=C(Nc1ccc(O)c(C(F)(F)F)c1)c1ccncc1Cl 84350643 PQAXTGLADPOSFT-UHFFFAOYSA-N 316.666 3.712 0 40 DHAB COC(=O)c1sccc1CSc1ccc(NC(C)=O)cc1 88493076 RDYFBODPEWDANT-UHFFFAOYSA-N 321.423 3.785 0 40 DHAB C[C@H](CSC(C)(C)C)N[C@@H]1CCO[C@]2(CCSC2)C1 90540294 XNPBLQRQYDQCNS-UMVBOHGHSA-N 303.537 3.551 0 40 DHAB CC(C)(C)c1cnc(Cn2nc(C(F)(F)F)c3cnccc32)o1 92918527 HQOYMVJHDPPHIV-UHFFFAOYSA-N 324.306 3.784 0 40 DHAB CO[C@](C)(CNC(=O)Nc1ccccc1C)c1ccccc1F 96123654 LIDKNTIIWNGJTC-GOSISDBHSA-N 316.376 3.817 0 40 DHAB Cc1cccc(NCc2cccc(C(=O)NCc3ccco3)c2)n1 97163266 HCZSZWUEGHNWIU-UHFFFAOYSA-N 321.380 3.525 0 40 DHAB O=C(NCc1ccc2ccccc2c1)N[C@H]1CCO[C@@H](C2CC2)C1 97379121 GFJRXPMQEDMCDV-RBUKOAKNSA-N 324.424 3.597 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1c(F)cccc1C2 98214110 HOZRRRFDTIMBRO-UHFFFAOYSA-N 320.408 3.811 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102233685 JDQPGADBLGGPFK-HJWJTTGWSA-N 302.487 3.660 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1CCCC[C@H]1C 104042998 VTDUMFHAAHMNGU-QAPCUYQASA-N 314.473 3.802 0 40 DHAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccoc1 206668193 PXYRCOKQSLRRLR-UHFFFAOYSA-N 301.327 3.521 0 40 DHAB Cc1cccc(CNC(=O)COc2ccc3c(c2)CCCC3)c1 224633048 CCOUZZFOYJPNJE-UHFFFAOYSA-N 309.409 3.569 0 40 DHAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 225134105 RWZPESPCXPYNDP-UHFFFAOYSA-N 319.810 3.756 0 40 DHAB CCOc1ccc(CNC(=S)Nc2ccc(F)cc2F)cc1 225430664 FWQOPNFCGMTRSS-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB Fc1ccc(CCCNC(=S)Nc2ccccc2F)cc1 225546844 BVABMJOQPZUAND-UHFFFAOYSA-N 306.381 3.884 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1 225641913 TZXGCQFKGOTPPQ-UHFFFAOYSA-N 307.444 3.847 0 40 DHAB CN(Cc1cccn1C)C(=O)c1ccc2sc(Cl)nc2c1 225985016 JMZCWJBWHPMCAX-UHFFFAOYSA-N 319.817 3.560 0 40 DHAB CCCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1OC 226287519 HKOYEVFGCXSVFP-UHFFFAOYSA-N 324.380 3.594 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@]2(c3cccc(Cl)c3)O[C@@H]2C1 242425596 BQBTXSZGAQQARH-CJNGLKHVSA-N 309.793 3.575 0 40 DHAB Cc1cccc(CN2CCC[C@H]2c2cccc(CCC(=O)O)n2)c1 257292439 QLMFUQYVLVQYFH-IBGZPJMESA-N 324.424 3.744 0 40 DHAB COc1ccc([C@@H](Cc2ccccc2)NC(=O)NCC2CC2)cc1 571966388 LCFXCDPNLQWJAX-LJQANCHMSA-N 324.424 3.688 0 40 DHAB CN(C)[C@H](CNC(=O)c1ccoc1)c1csc2ccccc12 575621497 OUGVVVYCIXGFKL-OAHLLOKOSA-N 314.410 3.527 0 40 DHAB CCCN(Cc1coc(-c2ccc(C(=O)O)cc2)n1)CC1CC1 576880991 SXPJQLXTPDBTMJ-UHFFFAOYSA-N 314.385 3.662 0 40 DHAB CC(C)NC(=O)Cc1ccc(NCC2Cc3ccccc3C2)cc1 585085024 ZWDGCXZZEZGQEY-UHFFFAOYSA-N 322.452 3.581 0 40 DHAB C[C@H]1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)[C@@H]1C 106093 BQFAPGKABHKJDF-UONOGXRCSA-N 317.392 3.945 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)c(OC)c1 147244 IHCONWRGWDEHHK-CSKARUKUSA-N 311.381 3.973 0 40 DHAB Cc1ccc(CNC(=O)CSCc2ccccc2F)cc1 260361 AQASQCVJEFBVPO-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB COc1cccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)c1 532290 YFDLLLYQDVWRDJ-DLBZAZTESA-N 324.359 3.572 0 40 DHAB O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 807252 ZERMSGGUXFLHOP-UHFFFAOYSA-N 321.332 3.794 0 40 DHAB CCC(CC)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 814769 PUBZUNNBPJBDNR-UHFFFAOYSA-N 300.358 3.907 0 40 DHAB CCCC[C@H](CC)CNC(=O)c1cc2ccccc2oc1=O 2773036 SKJOBAINQQNMIQ-ZDUSSCGKSA-N 301.386 3.739 0 40 DHAB CN(C)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1 3316390 MIXOPAOXSPQSJN-UHFFFAOYSA-N 307.752 3.902 0 40 DHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccncc1 3417110 AERYAABTHDDSOJ-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccccc1 3508281 QHUKXADDPCHCJA-UHFFFAOYSA-N 319.360 3.564 0 40 DHAB CN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl 3581143 CBCIMWFPDQDFMB-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB CCCCSc1nc2sc3c(c2c(=O)n1C)CCCC3 4957083 HTIGAZBDLAHMDN-UHFFFAOYSA-N 308.472 3.766 0 40 DHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N)c2)cc1 6422008 WYHKONLTTBVNST-NSHDSACASA-N 317.772 3.659 0 40 DHAB CC(C)(C)C(=O)COC(=O)c1cc(Cl)nc2ccccc12 7813995 DIGCVVUPXWUBPL-UHFFFAOYSA-N 305.761 3.660 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NCCSc1ccccc1 8494825 DUSFAKVGIXHRFR-KRWDZBQOSA-N 315.438 3.753 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)no1 9002076 DLKWUXPMZFLJDI-UHFFFAOYSA-N 318.336 3.779 0 40 DHAB NC(=S)c1cc2cc(F)ccc2o/c1=N\c1cccc(F)c1 10272613 HXAZYPAWNLXBDK-SILNSSARSA-N 316.332 3.578 0 40 DHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nn1cnc2ccccc21 10405381 BXHFQLPWLFPONX-LBPRGKRZSA-N 312.348 3.532 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(SC(F)F)cc1 11558585 KPUDJHKCZJTUTM-UHFFFAOYSA-N 323.320 3.982 0 40 DHAB CCC[C@@H](NC(=O)c1cnc(SC)nc1)c1cccs1 12200232 BEZXJOZEFIZGBS-LLVKDONJSA-N 307.444 3.531 0 40 DHAB CSCc1csc(NC(=O)CCCc2ccccc2)n1 12287093 RKCUENJQHWYUDW-UHFFFAOYSA-N 306.456 3.968 0 40 DHAB CCOc1ccc2nc(SCc3ncc(Cl)n3C)[nH]c2c1 12736873 AQWWZTMNKAATFQ-UHFFFAOYSA-N 322.821 3.641 0 40 DHAB CC(C)c1ccc(-c2nnn(C[C@H]3CC3(Cl)Cl)n2)cc1 12751118 UWCOFGDMBSYQAF-GFCCVEGCSA-N 311.216 3.657 0 40 DHAB Cc1cccc(NC(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)c1 12753338 SADFVDVBDHXCQN-LBPRGKRZSA-N 309.369 3.884 0 40 DHAB Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)c1 13002217 FBSAYCHFKSDXNM-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCc2ccccc21 13012481 CHAVFIYEQXTSCG-INIZCTEOSA-N 309.365 3.516 0 40 DHAB CCCc1c(C)nc2ncnn2c1Nc1cccc(Cl)c1 13364977 NAFLKSVIAXTYQD-UHFFFAOYSA-N 301.781 3.782 0 40 DHAB CCc1c/c(=N\N)oc2cc3c(cc12)CCC1(CCCCC1)O3 13655112 SSMLJVBYMKIJKM-DYTRJAOYSA-N 312.413 3.798 0 40 DHAB COc1ccc(-n2ncc3c2C[C@@H](c2cccs2)CC3=O)cc1 14164176 SYROZDCWWOEEHM-GFCCVEGCSA-N 324.405 3.855 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 19346866 VJDAJOVWJPRYJE-INIZCTEOSA-N 311.429 3.849 0 40 DHAB Cc1c(C(=O)Nc2ccc(C(C)C)cc2)cnn1-c1ccccn1 19910984 WBQBSCYKDTUIDJ-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB COc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccccc1 20038380 DLKHYICAVSWESY-AWEZNQCLSA-N 315.438 3.834 0 40 DHAB Cc1c(-c2ccccc2)c(N)c(S)c(=O)n1-c1ccccc1 20635016 DJCYUOUAVIZFFM-UHFFFAOYSA-N 308.406 3.684 0 40 DHAB CC(C)NC(=O)Nc1cccc(NC(=O)C[C@H]2C=CCC2)c1 24545792 GJWDEBHIFQKJBN-ZDUSSCGKSA-N 301.390 3.511 0 40 DHAB CC(C)[C@@H](NC(=O)CN(C)Cc1ccccc1)c1cccs1 24971318 RVYMGEOUYFVPOI-GOSISDBHSA-N 316.470 3.693 0 40 DHAB Cc1noc(C)c1C(=O)Nc1ccccc1N1CCCCCC1 25458797 GCRSTPLLDOXFKX-UHFFFAOYSA-N 313.401 3.924 0 40 DHAB C[C@H](Sc1ncc2ccccn12)C(=O)Nc1ccccc1F 26371927 XKJPVTIPKDWJKU-NSHDSACASA-N 315.373 3.593 0 40 DHAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(NC(=O)C2CC2)cc1 27294082 ORQLDEOGIGMQGB-UONOGXRCSA-N 312.413 3.569 0 40 DHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)[C@@H]1C[C@@H]1c1ccccc1 28241529 NQSXAYZPFURSDY-HZPDHXFCSA-N 303.365 3.819 0 40 DHAB Cc1cc(C)cc(OCCN(C)c2ncnc3ccsc23)c1 28625012 ZZFMLZDENVIBJV-UHFFFAOYSA-N 313.426 3.823 0 40 DHAB CCN(Cc1ccccc1)C(=O)CCc1nc2ccccc2[nH]1 30013413 JHSNUEVOKXLSHQ-UHFFFAOYSA-N 307.397 3.544 0 40 DHAB Cc1ccsc1C(=O)Nc1cc(Cl)ccc1-n1cncn1 32983476 KAVDEHMUHPUXRQ-UHFFFAOYSA-N 318.789 3.543 0 40 DHAB O=C(O)c1ccccc1SC[C@H]1CCCN2CCCC[C@@H]12 33435709 FUSMGHBUCDVHPC-HIFRSBDPSA-N 305.443 3.741 0 40 DHAB Cc1cccc(Cn2ncc3c4sc(C)cc4n(C)c3c2=O)c1 36380374 GMGAIOSCPXROEY-UHFFFAOYSA-N 323.421 3.615 0 40 DHAB COc1ccc(C[C@](C)(CC(=O)c2ccccc2)C(=O)O)cc1 38600253 RVJVTQOKJRMSGE-LJQANCHMSA-N 312.365 3.602 0 40 DHAB NC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 41127155 NKMWXLVJSYVJPU-UHFFFAOYSA-N 321.163 3.829 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccccc2-c2cccs2)CCO1 43910660 VQBAZOAOCZASLN-LBPRGKRZSA-N 302.399 3.668 0 40 DHAB COc1ccc2c(C)c(C(=O)Nc3cc(C)ns3)oc2c1 44225900 CXUMMIMGMXXUNF-UHFFFAOYSA-N 302.355 3.767 0 40 DHAB COc1ccc(SCC(=O)Nc2ccccc2F)cc1OC 44886402 SLQCCWMBYPDMRE-UHFFFAOYSA-N 321.373 3.574 0 40 DHAB CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 47827919 LHQXAAFSTVMNEA-AWEZNQCLSA-N 324.424 3.821 0 40 DHAB COc1ccc(-c2nnc([C@H]3CCN(CC(C)(C)C)C3)o2)cc1 49170136 WXQKEHSZUAMFHK-AWEZNQCLSA-N 315.417 3.581 0 40 DHAB biogenic,in-vitro CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c(C)noc1C 52567650 BCQRMPOTIRXAID-OAHLLOKOSA-N 318.442 3.822 0 40 DHAB CC(C)(C)[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(F)cc1 53644043 YXEYOGUMGJSKQX-KRWDZBQOSA-N 314.404 3.802 0 40 DHAB O=C(Nc1ccc(O)cc1)c1occc1COc1ccccc1 57560191 KWANEMPAAQGPJA-UHFFFAOYSA-N 309.321 3.817 0 40 DHAB C[C@@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl 57703520 ABIWDPPNYCKXMD-CXAGYDPISA-N 316.832 3.820 0 40 DHAB Cc1nnc([C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)o1 58357681 RZJDMPZQTKAEIJ-NSHDSACASA-N 314.414 3.854 0 40 DHAB COc1cc(CN(C)C(=O)NC2CCCC2)ccc1SC 58522997 LVEGJBVWIPFXEN-UHFFFAOYSA-N 308.447 3.501 0 40 DHAB CC(C)(C(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 60213060 MOTQICSKFWNABB-UHFFFAOYSA-N 315.344 3.513 0 40 DHAB COCCc1noc(CN(C)c2ccccc2-c2ccccc2)n1 69460567 CULKXKXQEIMVGL-UHFFFAOYSA-N 323.396 3.562 0 40 DHAB CCc1noc([C@@H](C)Sc2nnc(-c3sccc3C)o2)n1 69811525 HSTBMWAIXFIUPV-MRVPVSSYSA-N 322.415 3.905 0 40 DHAB Cc1sc2ncnc(SCC(=O)OC[C@@H]3C[C@@H]3C)c2c1C 71827955 PHFYALGTPBROQG-KWQFWETISA-N 322.455 3.599 0 40 DHAB CCS[C@H]1CCCCN(Cc2nccn2CC(F)(F)F)C1 71899675 USXGDFFXDHZPLR-LBPRGKRZSA-N 321.412 3.553 0 40 DHAB O=Cc1cc(Br)c(OCc2ccccc2)cc1O 72219739 HNVYYEYFXFUEPE-UHFFFAOYSA-N 307.143 3.546 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)CCc1nc(-c2ccsc2)no1 73320751 UIYGUSGIDQNNIH-TXEJJXNPSA-N 319.430 3.520 0 40 DHAB Cn1ccnc1-c1cccc(NC(=O)N2CC[C@H]3CCCC[C@@H]32)c1 77445023 KLAUQSMGVWPVDI-PBHICJAKSA-N 324.428 3.884 0 40 DHAB CCc1cnc([C@@H](C)NCc2cc(OC)c(OC)cc2C)s1 83474177 HOYNAYZVTPSPDR-GFCCVEGCSA-N 320.458 3.882 0 40 DHAB C[C@@H](NC(=O)Cc1cccs1)c1cccc(N2CCCC2)c1 88217810 ZYUSFAYTIPEGBH-CQSZACIVSA-N 314.454 3.768 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1cncc2ccccc12 89626957 FNMNTTHLWOTZBQ-UHFFFAOYSA-N 303.321 3.557 0 40 DHAB C[C@@H](Cc1ccsc1)N(C)Cc1nnc(-c2cccs2)o1 89904289 ZUPYFITZSMJOKL-NSHDSACASA-N 319.455 3.923 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccco2)cc1-c1ccccn1 89910121 JUEPTHXLPDNBAZ-CYBMUJFWSA-N 322.364 3.841 0 40 DHAB CC(C)C[C@H](CN)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 94696946 GRANSQCOQUDLNC-WDEREUQCSA-N 317.260 3.792 0 40 DHAB CCSc1cccc(NC(=O)NC[C@H](O)c2ccsc2)c1 95399951 WXNAVPKNEGOKGC-AWEZNQCLSA-N 322.455 3.715 0 40 DHAB C[C@H](CCn1cncn1)N[C@H]1CCSc2ccc(Cl)cc21 95421075 IRRGBWPQHMTZHE-RISCZKNCSA-N 322.865 3.537 0 40 DHAB FC(F)(F)Cn1ccc(NCc2coc(-c3ccccc3)n2)n1 95430928 COZFYWCYUBQIOF-UHFFFAOYSA-N 322.290 3.713 0 40 DHAB CCc1ccc(CNC(=O)C(C)(C)N(C)C2CCCC2)s1 95453104 MPWIMCGKAUZGLZ-UHFFFAOYSA-N 308.491 3.580 0 40 DHAB CC(C)Cn1ccc2c(NC(=O)c3[nH]nc4c3CCC4)cccc21 95480401 CKYPWLHQTLVHJJ-UHFFFAOYSA-N 322.412 3.761 0 40 DHAB O=C(NCC(F)(F)F)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 95961423 CMGCQWDLLPNWBM-VHSXEESVSA-N 312.118 3.775 0 40 DHAB OC[C@H]1C=C[C@@H](Nc2nc(-c3ccccc3)c3ccccc3n2)C1 95963399 ARTTVHCFUVRHSI-GOEBONIOSA-N 317.392 3.646 0 40 DHAB C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)C(C)(C)c1ccccc1 96004316 MCTSHKWZVNOZHG-NSHDSACASA-N 319.351 3.767 0 40 DHAB CO[C@@H](CNC(=O)Cc1ccccc1Cl)c1ccc(C)s1 96104691 SWUPMIZEOUOJHA-AWEZNQCLSA-N 323.845 3.756 0 40 DHAB Clc1cccc(N2CCN(Cc3cccnc3)CC2)c1Cl 96283199 QQOOJNNFPCENEO-UHFFFAOYSA-N 322.239 3.711 0 40 DHAB Cc1ccc([C@H]2C[C@H]2C(=O)N(CC(F)(F)F)C2CC2)s1 97000601 AHJDOGWTVSKZJZ-WDEREUQCSA-N 303.349 3.713 0 40 DHAB O=C(CC(=O)C(F)(F)F)c1ccc(OCc2ccccc2)cc1 100475856 ICPXKFWSKKAXBH-UHFFFAOYSA-N 322.282 3.970 0 40 DHAB CC1(C)C[C@]2(C)C[C@@H]1C[C@H]2OC(=O)c1ccccc1C(=O)O 100770252 ZSKLSZZSGZABIR-FVMIAERFSA-N 302.370 3.756 0 40 DHAB Cc1cc(C)cc(OC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)c1 100892209 MVORXRJQBSRDPV-OALUTQOASA-N 300.398 3.994 0 40 DHAB CCOC(=O)c1nc(-c2cc(Cl)cc(Cl)c2)ns1 199566066 TVIAYEQVMWUHIJ-UHFFFAOYSA-N 303.170 3.689 0 40 DHAB COC(=O)/C=C/c1ccc(OCc2cccnc2)c(Cl)c1 216888308 UMMBJFKZCLYYRB-FNORWQNLSA-N 303.745 3.500 0 40 DHAB Cc1ccccc1Nc1ccc(NC(=S)NC(C)C)cn1 223875882 FJYQZVYWSYSECL-UHFFFAOYSA-N 300.431 3.828 0 40 DHAB COc1cccc(O[C@@H](Cc2cccc3ccccc23)C(=O)O)c1 225048896 YDXBNJUQTWAHBR-IBGZPJMESA-N 322.360 3.923 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1C 225178460 KBGJUJAVJHPFQI-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB Cc1ccc2[nH]c(-c3ccc(C(=O)NCC(C)C)cc3)nc2c1 225259910 LVHKRIKNZHRWBQ-UHFFFAOYSA-N 307.397 3.924 0 40 DHAB COCCc1nsc(Sc2ncc(C(C)C)n2C2CC2)n1 225544215 FOTBMDOVCSVWFE-UHFFFAOYSA-N 324.475 3.533 0 40 DHAB O=C(NCc1cncc(-c2cccs2)c1)c1cccc(F)c1 225666081 ZXWBCDJDOOVBQU-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCNC[C@@H]3C[C@@H]21 257216912 CWQIYYLMQPCOIS-LOHUMSBYSA-N 307.821 3.567 0 40 DHAB CS(=O)(=O)c1ccc(CNC2CCC(=C3CCC3)CC2)cc1 585117513 IWBQICJLAHUBOW-UHFFFAOYSA-N 319.470 3.603 0 40 DHAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccsc1 585146690 CTFMHSIHICJBTP-GFCCVEGCSA-N 303.408 3.965 0 40 DHAB CC(C)C[C@@](C)(CC(=O)O)C(=O)N1CC[C@H](c2ccccc2)C1 634861779 HGBJYUWCBGOAEG-LPHOPBHVSA-N 317.429 3.530 0 40 DHAB CCOC(=O)c1cc(Br)c2cccc(Cl)c2n1 685937316 OSGLIADJZAKFLU-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB CSc1ccc([C@H](O)CNc2cc(C3CCC3)ncn2)cc1 1775972531 JLHKGTHLHSKOMC-MRXNPFEDSA-N 315.442 3.612 0 40 DHAB O=C(CSc1nnc(-c2cccs2)o1)c1ccccc1F 416201 KGSVZDIHVQHHMO-UHFFFAOYSA-N 320.370 3.912 0 40 DHAB Cc1ccccc1CSC1=NCCN1C(=O)Cc1ccccc1 429421 RAKORPFWDXAJJD-UHFFFAOYSA-N 324.449 3.669 0 40 DHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 587308 PZLWZYHHONMUDT-LFYBBSHMSA-N 313.328 3.654 0 40 DHAB CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1 1451689 VZENLZRSTJKINR-MRXNPFEDSA-N 322.408 3.802 0 40 DHAB CCOc1ccccc1-c1csc(NC(=O)C(F)(F)F)n1 1790996 YCJRNHCXWSGXAM-UHFFFAOYSA-N 316.304 3.710 0 40 DHAB CCCCCOc1ccc(/C=C/C(=O)NC(C)C)cc1OC 1799548 JALDTVDUFNHJNE-PKNBQFBNSA-N 305.418 3.802 0 40 DHAB Cc1nc(SCC(=O)O)c2oc3ccc(Cl)cc3c2n1 2363732 MAZGNTKFOKBBDF-UHFFFAOYSA-N 308.746 3.515 0 40 DHAB O=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCC2)c1 2515137 GGJWCJLFPWSNSV-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB CN(C)c1ccc(-c2nc3[nH]cnn3c2Nc2ccccc2)cc1 3909998 UXSJMZWNQJCBTI-UHFFFAOYSA-N 318.384 3.534 0 40 DHAB CCN(CC)CCN(C(C)=O)c1nc2c(C)c(C)ccc2s1 4359491 SXKZQZHAJAWPJP-UHFFFAOYSA-N 319.474 3.608 0 40 DHAB CN1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 4648591 JBLVONSXDOACPK-MDWZMJQESA-N 303.314 3.752 0 40 DHAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(C)c2ccccc12 4936329 JRXLQXBXUQNXDW-FQEVSTJZSA-N 317.392 3.876 0 40 DHAB COC(=O)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 5576591 JURGZTFRFJAUGS-UHFFFAOYSA-N 323.348 3.709 0 40 DHAB O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1c1nccs1 5662988 HMSOQBWOUWEVIC-YGOSKHQISA-N 320.483 3.765 0 40 DHAB CC[C@H](C)N(CC)CCNc1cc(OC)cc2cccnc12 5846370 REHJMUQQXLLGHV-AWEZNQCLSA-N 301.434 3.776 0 40 DHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(F)cc1 6205972 CLESWPFSJMUTTO-CQSZACIVSA-N 318.373 3.594 0 40 DHAB CCSc1nnc(NC(=O)C[C@@H](C)c2ccccc2)s1 6355821 SQUIBNFYZIEROM-SNVBAGLBSA-N 307.444 3.782 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN1C[C@@H](C)C[C@H](C)C1 6455826 GNUQLAUHEYANBI-ULQDDVLXSA-N 305.462 3.528 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(F)cc2)cc1 7267410 NKYKCLMZCHOJPN-AWEZNQCLSA-N 314.404 3.847 0 40 DHAB CC[C@@H](C)Cn1c(CCCCCNC(C)=O)nc2ccccc21 7343671 DXEUCGXQKWASKS-OAHLLOKOSA-N 315.461 3.931 0 40 DHAB CC(=O)c1sc(N)c(C(=O)Nc2ccc(C)c(C)c2)c1C 8550716 USNKMJOTBGHRRM-UHFFFAOYSA-N 302.399 3.710 0 40 DHAB O=C(NC1CCCC1)c1ccc(OCCc2ccccc2)cc1 8564311 SDUZFBYAWJVJEF-UHFFFAOYSA-N 309.409 3.981 0 40 DHAB C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1cccc(F)c1 9387358 KTDDHJPUCKEGCZ-LLVKDONJSA-N 322.330 3.563 0 40 DHAB COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 11071669 LKTYDLYUTRZMCC-MDZDMXLPSA-N 324.405 3.846 0 40 DHAB O=C(O)c1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 13167565 AWIWGTJSZXJRSY-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB COc1cc(OC)cc(C2=NC3(CCC(C)CC3)N=C2S)c1 13573821 BOXZASCELYHHLN-UHFFFAOYSA-N 318.442 3.741 0 40 DHAB CCN(CC)c1ncnc2c1cnn2-c1ccc(Cl)cc1C 15880932 WANNLUMQEMULDN-UHFFFAOYSA-N 315.808 3.624 0 40 DHAB Cc1csc([C@H](Cc2ccsc2)NCc2cccnc2)n1 19240256 ZDCUGWSRZJUVEF-HNNXBMFYSA-N 315.467 3.982 0 40 DHAB COc1cccc([C@@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)c1 19927605 GJRBDOZSIXNVEQ-YGRLFVJLSA-N 320.439 3.627 0 40 DHAB COC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1C 21028475 UXYBUWUOVXXWME-VAWYXSNFSA-N 309.365 3.742 0 40 DHAB CC(C)(C)Nc1nnc(SCC(=O)c2ccccc2)s1 21762520 PAEZSYOTPDONJL-UHFFFAOYSA-N 307.444 3.724 0 40 DHAB CCn1cnnc1-c1cccc(NC(=O)c2ccccc2C)c1 24582179 OIYCMONTCJLFBW-UHFFFAOYSA-N 306.369 3.526 0 40 DHAB CN(C(=O)[C@H]1Cc2ccccc2O1)[C@H]1CCCc2ccccc21 29473984 CZRCHQBIXSUHEJ-PKOBYXMFSA-N 307.393 3.526 0 40 DHAB Cc1cccc(Nc2nc3ccc(C)cc3n3c(C)nnc23)c1 32099713 LXVZOSQMXFAFQK-UHFFFAOYSA-N 303.369 3.946 0 40 DHAB COc1ccc([C@H](C)NCc2nc3ccccc3o2)cc1F 32806024 ZQHOETVXFGRVIK-NSHDSACASA-N 300.333 3.826 0 40 DHAB Cc1ccc2nc(C)c(C(=O)NCCCOCC(C)C)cc2c1 32854582 QFJUEXSSMQYLCB-UHFFFAOYSA-N 314.429 3.644 0 40 DHAB O=C(c1ccco1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 35281450 RDQHRGGNPABBMH-CQSZACIVSA-N 323.352 3.697 0 40 DHAB Cc1ccc(-n2nnnc2C2(Nc3ccccc3)CCCC2)cc1 35622120 RBZGVHBYXSRWOS-UHFFFAOYSA-N 319.412 3.852 0 40 DHAB CSCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 37123924 MIICCNVWEDYTFQ-NSHDSACASA-N 301.864 3.746 0 40 DHAB Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 38832880 NMHAYAZIIBAAMY-OAHLLOKOSA-N 319.408 3.731 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)NC(=O)OC(C)(C)C 40079747 GNDNQJXIXNKPEJ-JTQLQIEISA-N 312.797 3.500 0 40 DHAB Cc1occc1C(=O)N1CCCC[C@@H]1c1nc(CC(C)C)no1 41123874 KYHSPHWCCUENAX-CQSZACIVSA-N 317.389 3.537 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccccc2C)on1 42800541 WCLYVXSVWVJVLI-ZBFHGGJFSA-N 313.401 3.899 0 40 DHAB Cc1cnc(NC(=O)c2csc(NCCC(C)C)n2)s1 44900662 MGQSTQJDCCZCIC-UHFFFAOYSA-N 310.448 3.618 0 40 DHAB Cc1ccc(C)c(CSCc2cc(=O)n3ccsc3n2)c1 46806258 CYCRUGHMRIXPHI-UHFFFAOYSA-N 316.451 3.806 0 40 DHAB O=C(NCc1ccoc1)Nc1nnc(C2CCCCC2)s1 47770737 FWYRWCYPPUQSAM-UHFFFAOYSA-N 306.391 3.501 0 40 DHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1cccc2cn[nH]c12 47993948 DLDKFHPBZOCEPU-UHFFFAOYSA-N 323.400 3.644 0 40 DHAB C[C@H](NC(=O)NCCCN(C)c1ccccc1)c1ccccc1 48324747 WBURABSLCDDJIT-INIZCTEOSA-N 311.429 3.573 0 40 DHAB CCN(CC)C(=O)c1cccc(Nc2ccccc2C(=O)O)c1 55104261 YJKVVXAVNGPCRD-UHFFFAOYSA-N 312.369 3.610 0 40 DHAB Cc1ccc(CN(C(=O)CSCc2cccnc2)C(C)C)o1 58247191 KWALYBMGCAJTCG-UHFFFAOYSA-N 318.442 3.653 0 40 DHAB CC[C@@H](NC(=O)c1cccs1)c1ccc2c(c1)OCCCO2 64986950 NOHROYUMAVAXAX-CYBMUJFWSA-N 317.410 3.791 0 40 DHAB Cc1ccc(CCC(=O)NCCOc2cc(C)cc(C)c2)cc1 65700438 HYVDVJABWVODAI-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB Cc1cnn([C@@H](C)[C@@H](C)NCc2coc(-c3cccs3)n2)c1 69814990 ANOQGVUQBXHHJQ-OLZOCXBDSA-N 316.430 3.647 0 40 DHAB CN(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72212632 LYMKLMMRHRNKBX-KRWDZBQOSA-N 309.413 3.515 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2csc(C)n2)c(C)o1 72271577 JDQCAWCPQCQIQO-ZJUUUORDSA-N 307.419 3.783 0 40 DHAB CC[C@H](Sc1nc(=O)ccn1C(C)C)C(=O)c1ccccc1 77936655 QGLNPOAMOYUUMG-AWEZNQCLSA-N 316.426 3.578 0 40 DHAB COc1ccc(CNC(=O)NCCC2=CCCCC2)cc1F 83953163 GMWOBQWDSGUUBL-UHFFFAOYSA-N 306.381 3.524 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)CN(CC2CCCCC2)C2CC2)C1 84686218 BQYGAOQMYHGSMX-IYBDPMFKSA-N 306.494 3.536 0 40 DHAB CCC1=NO[C@@H](c2nc3sc(C(C)(C)C)cc3c(=O)[nH]2)C1 84735415 SYHKFDYTUBHXSW-SNVBAGLBSA-N 305.403 3.510 0 40 DHAB Cc1nn(C)cc1[C@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 90090104 QYWAAXOUMYDHBM-LBPRGKRZSA-N 301.438 3.938 0 40 DHAB Cc1cc(-c2noc([C@H](C)N)n2)cc(C)c1OCc1ccccc1 95095359 RBQJKJNFAKBWEA-AWEZNQCLSA-N 323.396 3.952 0 40 DHAB Fc1ccc(-c2ccco2)cc1NCc1cn2cccnc2n1 95418007 FMLXWLKRCAUVCC-UHFFFAOYSA-N 308.316 3.741 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCC(c2ccsc2)CC1 96120606 OYMQYNRERFZEIQ-UHFFFAOYSA-N 318.442 3.692 0 40 DHAB Cn1c(CCCNC(=O)CC2=CCCCC2)nc2ccccc21 96412468 UXWSWIRHXHJTQJ-UHFFFAOYSA-N 311.429 3.513 0 40 DHAB O=c1ccn(Cc2ncc(-c3ccccc3)o2)c2ccccc12 96461923 AYDKITFTKHZSKB-UHFFFAOYSA-N 302.333 3.705 0 40 DHAB C[C@H]1CCCN(C(=O)CSc2nncs2)c2ccccc21 97112051 AXMBAQVLEFNNJT-NSHDSACASA-N 319.455 3.561 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CNC1CCCC1)C2 104488883 ZBNAUCQADSOPHS-NOCIGQNYSA-N 309.494 3.501 0 40 DHAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nn1-c1ccccc1 107134710 HOUAGHYITOSSBT-MUQADHOPSA-N 323.440 3.735 0 40 DHAB COc1ccccc1NC(=O)COc1cc(C)nc2ccccc12 192192351 YQNSJZFUIOOLTC-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB c1ccc([C@@H]2OCCC[C@H]2c2nc(-c3ccncc3)no2)cc1 193199377 BUMJUSRMOPUOEP-CVEARBPZSA-N 307.353 3.767 0 40 DHAB CC(C)Oc1cccc(C(=O)n2cc(C(=O)O)c3ccccc32)c1 216956797 HPNATJUBCBQZOY-UHFFFAOYSA-N 323.348 3.815 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1C 223052957 JTTFHTOGBBTDDF-HNNXBMFYSA-N 313.397 3.509 0 40 DHAB CCc1ccccc1NC(=O)CCc1c(OC)cccc1OC 225993984 AXAKPYRNQMDUIT-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB CCc1ccccc1NC(=O)c1cc2cccc(C)c2oc1=O 226034487 WEZPMSIDCHGZOI-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB CCCCc1nc(CN2CCC[C@H](c3nccs3)C2)c[nH]1 257228772 FVDURGWMSZKENI-ZDUSSCGKSA-N 304.463 3.588 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1 257265181 LXQKLHBPKOSFSQ-ZDUSSCGKSA-N 303.431 3.880 0 40 DHAB O=C(c1ccccc1OC(F)(F)C(F)F)C(F)(F)Cl 575243103 ZNPWBVWAIUQXIC-UHFFFAOYSA-N 306.589 3.938 0 40 DHAB Cc1ccc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)cc1 385308 IZGDKKCPUKXQAK-UHFFFAOYSA-N 324.384 3.891 0 40 DHAB C[C@@H](NCCCSc1ccccc1)[C@H](O)c1ccc(O)cc1 1565065 KNPDZXNZIJNVNH-KDOFPFPSSA-N 317.454 3.586 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2F)cc1OC 2616507 CDOAPQNDBSDVOS-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB CCC(=O)Nc1ccc(-c2csc(N[C@H](C)COC)n2)cc1 2631845 LCPSUEQBAGKUQA-LLVKDONJSA-N 319.430 3.605 0 40 DHAB Cc1nn(C)c(C(=O)NC2CCC(C(C)(C)C)CC2)c1Cl 2780381 GWPMROUTVRJHIA-UHFFFAOYSA-N 311.857 3.717 0 40 DHAB O=C(NCCOc1ccccc1Cl)c1cc2ccccc2o1 3151100 MXRLIYOQVZBZSI-UHFFFAOYSA-N 315.756 3.895 0 40 DHAB CCN(CC)c1cccc(OC(=O)c2cccnc2Cl)c1 3195447 VBBTWSHQYPPONL-UHFFFAOYSA-N 304.777 3.800 0 40 DHAB O=C(Sc1nnc(-c2ccncc2)o1)c1ccc(Cl)cc1 3222259 XSXPLIZPFSEZPA-UHFFFAOYSA-N 317.757 3.718 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1C 3325652 FBLDLKCGBIMYJK-SFHVURJKSA-N 315.438 3.659 0 40 DHAB Cc1nc2cc(NC(=O)Cc3ccc(F)cc3)ccc2s1 5268284 IFGFEGRHJBJKBP-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB COC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc23)C1 5510717 JJNYLKRTIPSBCU-SFHVURJKSA-N 319.364 3.648 0 40 DHAB COCCN1C(=O)C2=C(CCCC2)[C@H]1c1cn(C)c2ccccc12 6079735 ZRFIGPLRZJUQAF-IBGZPJMESA-N 324.424 3.579 0 40 DHAB COc1ccc(CNC(=O)CCC2CCCCC2)cc1OC 6787954 OUNBJPZVGHXEDF-UHFFFAOYSA-N 305.418 3.681 0 40 DHAB Cc1cccc(N2C[C@H](C(=O)Oc3cccc(C)c3C)CC2=O)c1 7929061 NTIWMFKMWPWESA-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB COc1cccc(-c2nc(CC(=O)Nc3ccccc3)cs2)c1 8733880 FKFXQBDRSLZECO-UHFFFAOYSA-N 324.405 4.000 0 40 DHAB CCc1[nH]c2ccc(C(=O)NCCCc3ccccn3)cc2c1C 12148585 SLJPYZFRSMZUTQ-UHFFFAOYSA-N 321.424 3.796 0 40 DHAB Cc1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1C 12592682 RYNRRMXPKPJIFI-GFCCVEGCSA-N 303.793 3.791 0 40 DHAB C[C@H]1CCc2sc3ncn4c(-c5ccco5)nnc4c3c2C1 13687589 XASLHDHAWZOPJI-VIFPVBQESA-N 310.382 3.724 0 40 DHAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(C)cc1Cl 13938128 VEQSFQPQWWLRPQ-CYBMUJFWSA-N 323.845 3.996 0 40 DHAB COC(=O)[C@@H](N[C@H]1CCSc2ccccc21)c1ccccc1 14092898 HZBIRLQNCBFRKD-RDJZCZTQSA-N 313.422 3.727 0 40 DHAB O=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1ccncc1 18173864 LCULWKALSSACLW-SFHVURJKSA-N 303.365 3.993 0 40 DHAB C[C@@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1 20025329 IRLKYVQJEYNHQK-GFCCVEGCSA-N 318.214 3.869 0 40 DHAB CCOc1ccc(NC(=O)c2noc3c2CCCCC3)cc1 20176860 GZPCMUKNFJNJOV-UHFFFAOYSA-N 300.358 3.595 0 40 DHAB Clc1ccc(Cl)c(-c2ccc(CNc3ncn[nH]3)o2)c1 20877627 LZQLARPTKYVINT-UHFFFAOYSA-N 309.156 3.984 0 40 DHAB COc1ccccc1-c1nnc(SCc2csc(C)n2)o1 22558163 KJMAJVMPPSAVSR-UHFFFAOYSA-N 319.411 3.802 0 40 DHAB CN(CC(=O)Nc1c(F)cccc1F)[C@H]1CCc2ccccc21 29482684 OHUXKEXGIWPBNG-INIZCTEOSA-N 316.351 3.523 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)CCc1ccco1 32779683 ZYTSQETYIWBJEI-LSDHHAIUSA-N 300.402 3.970 0 40 DHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc(N(C)C)c1 32796605 VLFTZRFAMCQZEY-CQSZACIVSA-N 312.413 3.594 0 40 DHAB CC(C)CC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 32924671 GBASHSSCMKNSFP-OAHLLOKOSA-N 312.413 3.884 0 40 DHAB COc1ccc(OCCCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 33028626 QVPVCBSHKWQBRW-RLFYNMQTSA-N 319.445 3.795 0 40 DHAB Cc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1 36635340 GLKVXUDSLVNHMO-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB CC(C)(C)OC(=O)CCCCCNC(=O)OCc1ccccc1 39048126 ADMXPPSUULDOIO-UHFFFAOYSA-N 321.417 3.815 0 40 DHAB CC[C@H](NC(=O)c1c(OC)cccc1OC)c1ccc(C)cc1 44839860 ZXASDFRCHRWGIV-HNNXBMFYSA-N 313.397 3.893 0 40 DHAB Cc1nn(C)c2c1[C@@H](c1ccc(O)c(Cl)c1)SCC(O)=N2 49550200 KKTKLOXFGZBNCU-CYBMUJFWSA-N 323.805 3.512 0 40 DHAB CCc1cccc(NC(=O)c2cc(-c3cccc(OC)c3)[nH]n2)c1 51315579 XXXHBHSFKMYUJW-UHFFFAOYSA-N 321.380 3.900 0 40 DHAB Cc1occc1-c1nnc(Sc2nc3ccccc3o2)n1C 51537035 XBARQFHGDSBKLH-UHFFFAOYSA-N 312.354 3.676 0 40 DHAB CCc1ccc2oc(=O)cc(CN(C)Cc3ccccc3)c2c1 54105863 GQTJSAKJPXYNHI-UHFFFAOYSA-N 307.393 3.987 0 40 DHAB CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Cl 64874595 HEDVULFOBSKCMR-UHFFFAOYSA-N 300.141 3.727 0 40 DHAB CC[C@@H]1CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1 69200928 UZWRNPUHPDVSOU-OAHLLOKOSA-N 312.417 3.585 0 40 DHAB O=C(CC(F)(F)F)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 69452287 LIUMFJAJOBBKLK-PSASIEDQSA-N 311.225 3.630 0 40 DHAB CC(=O)Nc1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1C 72282522 OIHFCEYVAVZMJD-UHFFFAOYSA-N 319.311 3.876 0 40 DHAB CCn1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)cn1 78711954 HLOITMWZFSOPJZ-UHFFFAOYSA-N 307.353 3.948 0 40 DHAB CCc1cnc(CSCc2csc(-c3ncccn3)n2)o1 95414553 MGWYNTATMWLSAO-UHFFFAOYSA-N 318.427 3.584 0 40 DHAB CCc1sc(C(=O)N2CCCc3cccc(O)c32)cc1C 95453168 OIWVPEXNCQVTIO-UHFFFAOYSA-N 301.411 3.918 0 40 DHAB Cc1cc(NCCc2nc(-c3ccccc3)c(C)s2)ncn1 95965714 IEOIWLPIOOUYGW-UHFFFAOYSA-N 310.426 3.872 0 40 DHAB C[C@@H](CNc1nc(-c2ccccc2Cl)cs1)[S@](C)=O 96009751 GBALDOHNQQEWMS-ZRNGKTOUSA-N 314.863 3.642 0 40 DHAB COCc1nn(C(C)C)c2c1CCN(Cc1ccc(C)s1)C2 96058983 YBIBXHNMAUKCEA-UHFFFAOYSA-N 319.474 3.539 0 40 DHAB c1ccc(-c2nc(COc3cccc(-n4cncn4)c3)co2)cc1 96424109 HOJYSJOUYRMWCB-UHFFFAOYSA-N 318.336 3.501 0 40 DHAB CC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccsc2)no1 96482501 XRNKPPJNSIECCV-JTQLQIEISA-N 309.391 3.774 0 40 DHAB CCOc1cc(Cl)ccc1C(=O)N(C)Cc1c(C)noc1C 97047928 VMKMVBZTNCPDNN-UHFFFAOYSA-N 322.792 3.616 0 40 DHAB C[C@H](NCc1coc(-c2c(F)cccc2F)n1)c1ccncc1 97084043 BTKMEPRQYJYBJY-NSHDSACASA-N 315.323 3.866 0 40 DHAB COc1ccc2oc([C@@H](C)N[C@@H](C)c3nnc(C)o3)c(C)c2c1 97112128 WNFWQFFAZCZHGY-MNOVXSKESA-N 315.373 3.853 0 40 DHAB CC(C)OC[C@@H](O)CN(C)Cc1ccc(-c2ccccc2)cc1 97287386 XAIWLTBHSBMGBQ-FQEVSTJZSA-N 313.441 3.571 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 102356338 QHZIXUIYBQJPMF-YDHLFZDLSA-N 301.386 3.546 0 40 DHAB O=C(Nc1ccccc1F)c1cc(-c2ccc(F)cc2)on1 123034491 KXQQKQAGANQTOG-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB O=C(NCC[C@H](O)c1ccsc1)Nc1ccccc1Cl 217545888 BSJRMWBYRZYMIJ-ZDUSSCGKSA-N 310.806 3.647 0 40 DHAB O=C(CSCc1ccc(Cl)cc1F)Nc1cccnc1 223332252 UJCKBECISSCYCH-UHFFFAOYSA-N 310.781 3.746 0 40 DHAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 224668417 HHTATSFZNOJWAD-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB COc1c(C)cc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641553 VDZPZSMRTKASQX-UHFFFAOYSA-N 305.418 3.846 0 40 DHAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225645308 JOIYOSKMQZXBHE-UGSOOPFHSA-N 305.418 3.926 0 40 DHAB CCOc1cc(NC(=O)c2cccs2)cc2sc(N)nc12 226311149 OLGVEPFAESRAEJ-UHFFFAOYSA-N 319.411 3.591 0 40 DHAB CC(C)N(c1ccc(N)cc1C(=O)N1CCC[C@H](C)C1)C(C)C 226323576 ZKVCKYNACZRCLN-HNNXBMFYSA-N 317.477 3.764 0 40 DHAB COc1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)c(OC)c1 227144817 RBRDAUIFIRJXIH-UHFFFAOYSA-N 320.776 3.500 0 40 DHAB O=C(NCCc1ccco1)[C@@H](c1ccncc1)C1CCCCC1 585090069 JSGFEMKQWSHWGC-GOSISDBHSA-N 312.413 3.697 0 40 DHAB Cc1nnc(CN(Cc2ccc(F)cc2)CC(F)(F)F)s1 585116244 NFSZISBEUYTFFD-UHFFFAOYSA-N 319.327 3.550 0 40 DHAB CCc1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n[nH]1 594636124 UFUYLRBDYBZWLQ-GOSISDBHSA-N 322.412 3.821 0 40 DHAB COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O 1857743034 YKPUWZUDDOIDPM-UHFFFAOYSA-N 305.418 3.790 0 40 DHAB OCCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12 2417040 OLYUQJXHEKWANF-UHFFFAOYSA-N 319.364 3.837 0 40 DHAB Oc1c(Cl)cc(Cl)c(Cl)c1I 2526851 TZJMOZJOHFZOAX-UHFFFAOYSA-N 323.344 3.957 0 40 DHAB COc1cc(/C=C2/SC(=S)N=C2O)ccc1OC(F)F 2631197 BWLDWQQAEBGIBJ-WEVVVXLNSA-N 317.338 3.626 0 40 DHAB S=C(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 2764945 JIIRUBGSUFFMQL-UHFFFAOYSA-N 316.857 3.838 0 40 DHAB O=C1c2ccccc2[C@H]2c3cc(Cl)cc(Cl)c3OCN12 4110061 YYZAFCCJZYEKGT-ZDUSSCGKSA-N 306.148 3.889 0 40 DHAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 4592804 WDEUJPRLZBNNNW-ZTCHHREXSA-N 310.180 3.529 0 40 DHAB O=C(Nc1cccc(Cl)c1)Nc1cccc2nsnc12 4722349 FZDXIRPFSPVTKA-UHFFFAOYSA-N 304.762 3.989 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)n2nc(-c3cccs3)ccc2=O)cc1 4986580 WPGDZAQHYUQRBM-CYBMUJFWSA-N 324.405 3.724 0 40 DHAB Cc1cccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)c1 5376152 VDWMRXHTQXDYOF-DHDCSXOGSA-N 311.362 3.942 0 40 DHAB COC(=O)N1CC(C)=C(C)CN1C(=O)Nc1ccc(Cl)cc1 5415993 XKZITTLDMZTHFO-UHFFFAOYSA-N 323.780 3.507 0 40 DHAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 6061218 KFNFWUMLKQDFKI-SJORKVTESA-N 315.800 3.640 0 40 DHAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccccc1 8749571 YLJIJNFNGREJHO-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB C[C@H](NC(=O)Cc1cccs1)c1ccccc1Br 9484258 WLWCZLOBMJUEPO-JTQLQIEISA-N 324.243 3.931 0 40 DHAB COc1ccc(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cc1 9909036 YZIQOIZYJLIHKT-DYVFJYSZSA-N 313.397 3.661 0 40 DHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(F)cc(F)c1 10926651 MLDIIKXFIFTIMC-UHFFFAOYSA-N 316.307 3.566 0 40 DHAB O=C(CCC(=O)OCCCc1ccccc1)Nc1ccccc1 12136953 LFAFTUIBOVJVMU-UHFFFAOYSA-N 311.381 3.581 0 40 DHAB CC[C@@H](NC(=O)c1csc(C(C)=O)c1)c1ccc(F)cc1 12199923 MGBSOMUAPFLFAR-CQSZACIVSA-N 305.374 3.971 0 40 DHAB O=C(c1cccc(Br)c1)N1CCc2sccc2C1 12215539 PVTGVGVEQUCLKK-UHFFFAOYSA-N 322.227 3.709 0 40 DHAB O=C(OCc1cc(-c2ccccc2)no1)c1n[nH]c2ccccc12 12627616 HXEYYWXNOVULMD-UHFFFAOYSA-N 319.320 3.575 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 12748851 FFVPACJLGQTHHR-AWEZNQCLSA-N 322.408 3.835 0 40 DHAB Cc1ccc(CN(C)[C@H](C)C(=O)NCc2cccs2)c(C)c1 12856306 IIPYIYKTVOUPSA-OAHLLOKOSA-N 316.470 3.502 0 40 DHAB CCOc1cc2c(cc1NC(=O)C[C@H]1C=CCC1)O[C@@H](C)C2 13022859 WQUSJJGPZRPMTD-STQMWFEESA-N 301.386 3.704 0 40 DHAB O=C(Cc1ccccc1Cl)NCCSc1ccccc1 18214302 RXCYOAIGVLIKQA-UHFFFAOYSA-N 305.830 3.791 0 40 DHAB Cc1nn(C)cc1-c1cncn1[C@@H](C)c1ccc2c(c1)CCCO2 19719469 IVYYPVVCEXRTJD-AWEZNQCLSA-N 322.412 3.526 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)NCCSC(C)(C)C)c1C 20042324 BWIZNSKYEBCEPJ-AWEZNQCLSA-N 309.475 3.719 0 40 DHAB CN(C1CCCC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 20490744 NUBXXQIOEJIZDL-UHFFFAOYSA-N 322.257 3.698 0 40 DHAB Cc1[nH]c2c(C(=O)N(C)CCOc3ccccc3)cccc2c1C 24560544 FWSZPNVWUNFYHO-UHFFFAOYSA-N 322.408 3.936 0 40 DHAB Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc12 30921881 VCJRMTFRFOSTHG-VIFPVBQESA-N 315.760 3.676 0 40 DHAB Cc1ccc(-c2nc(CSCC(=O)NC(C)C)cs2)cc1 31411811 YCPPOHBYOBTNED-UHFFFAOYSA-N 320.483 3.876 0 40 DHAB CCCn1nccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 31770358 QXRUCLVDGLWXBU-UHFFFAOYSA-N 313.332 3.945 0 40 DHAB Cc1ccccc1C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 32818356 UBEXZBBZDFSAGC-STQMWFEESA-N 315.335 3.615 0 40 DHAB CCc1noc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 33012798 MCYAZQKKJLZSER-UHFFFAOYSA-N 307.353 3.860 0 40 DHAB Clc1cc(CNCCc2cccs2)cc2c1OCCCO2 37301286 IMZWXNSZXWBFFX-UHFFFAOYSA-N 323.845 3.895 0 40 DHAB COc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1ccccc1 40017442 WHPPZSTVFWUEPJ-UHFFFAOYSA-N 323.392 3.638 0 40 DHAB COc1cc(C)c(NC(=O)NC2CCC(C)CC2)cc1OC 40103467 AUIXXRWNBYRCAR-UHFFFAOYSA-N 306.406 3.712 0 40 DHAB COc1ccc(CNC(=O)Nc2cccc3ncccc23)cc1 40103576 RAPNTJDKFPMKSJ-UHFFFAOYSA-N 307.353 3.565 0 40 DHAB CCCCOc1cccc(CNC(=O)c2scnc2C)c1 40122172 FBSSJVLZBYOHHI-UHFFFAOYSA-N 304.415 3.560 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2C)c(C)c1 44899766 TYJQPBMFPIOCIJ-MRXNPFEDSA-N 317.454 3.792 0 40 DHAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1c1cccs1 58290670 UWEVCNSPEDBKGA-OAHLLOKOSA-N 309.394 3.669 0 40 DHAB CCC(CC)(C(=O)NC[C@H]1CCOC1)c1ccc(Cl)cc1 65553244 MUKJKKLFZXOYHB-CYBMUJFWSA-N 309.837 3.551 0 40 DHAB CCC[C@@H](NC(=O)Nc1ccc(C)cc1)c1nnc2ccccn12 65568431 KYIWZCZEKLZGHZ-OAHLLOKOSA-N 323.400 3.701 0 40 DHAB C[C@H](NCc1ccccc1N1CCOCC1)c1ccc(F)cc1 66970179 HUYLHTWBGCRVCO-HNNXBMFYSA-N 314.404 3.513 0 40 DHAB c1csc(-c2nc(CNCCc3nccs3)cs2)c1 72255094 CZLTUCAXFNCRTM-UHFFFAOYSA-N 307.469 3.660 0 40 DHAB C[C@@H](CC(=O)N1CCCC[C@@H]1c1nccs1)n1cccc1 72286828 HXGLKXALJVOSOO-UONOGXRCSA-N 303.431 3.650 0 40 DHAB CC(C)(C)c1ccc(-c2nnc(-c3ccccc3N)nc2O)cc1 75093427 TVLKJRJKTHYZBA-UHFFFAOYSA-N 320.396 3.791 0 40 DHAB O=C(/C=C/c1cccc(OCc2ccccc2)c1)N1CCCC1 75244673 KHVIXZKEASSRCQ-VAWYXSNFSA-N 307.393 3.901 0 40 DHAB CC1(C)CC[C@H](NCc2cccc(C(N)=O)c2)c2ccccc21 78967047 VLTBWBQZNPWOMB-SFHVURJKSA-N 308.425 3.688 0 40 DHAB COc1cccc(/C(C)=C/C(=O)OCCCc2ccncc2)c1 80938874 OEPQPBCKRNAVKS-FYWRMAATSA-N 311.381 3.670 0 40 DHAB CCOc1cc(NC(=O)N(CC)Cc2ccccn2)ccc1C 84321113 KSXDPUINVSIFDT-UHFFFAOYSA-N 313.401 3.843 0 40 DHAB CC[C@@H](NCc1cc[nH]c1)[C@H](O)c1ccc(C(F)(F)F)cc1 86254343 KWSDZVXVSHIWKR-HUUCEWRRSA-N 312.335 3.635 0 40 DHAB CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cnn(C(C)C)c2)C1 89274955 VYEHNSDSYDAXRM-KBPBESRZSA-N 310.467 3.602 0 40 DHAB COc1ccc([C@@H](C)NCc2ccco2)cc1CN1CCCC1 89904659 RMAGTMVYKSHROA-OAHLLOKOSA-N 314.429 3.735 0 40 DHAB Cc1cnc(CSc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)o1 95442201 IUUWVAKBCPLFRA-MFKMUULPSA-N 306.435 3.926 0 40 DHAB COc1ccc2oc(/C=C/c3nc(O)c4ccncc4n3)cc2c1 95448467 GSCXIJNRRNXYEQ-HWKANZROSA-N 319.320 3.656 0 40 DHAB Cc1ccc(Cl)c2ccc(NCc3ccc(C(N)=O)o3)nc12 95994755 VXCQUDADURZUQR-UHFFFAOYSA-N 315.760 3.501 0 40 DHAB c1cncc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96194001 XKODNVVJBJZCEB-UHFFFAOYSA-N 319.349 3.661 0 40 DHAB CC[C@H](C)[C@H](C(=O)NCCc1cscn1)c1ccccc1 96408455 WFAAIHOHIIQJBU-BBRMVZONSA-N 302.443 3.632 0 40 DHAB C[C@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H](c2ccco2)C1 96441259 LGVWFPJDLYZDDW-FZMZJTMJSA-N 300.358 3.758 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCc1cscn1 96480637 RPNJOXYCUKRWKE-HNNXBMFYSA-N 300.427 3.722 0 40 DHAB FC(F)(F)C(F)(F)/C(Br)=C\Br 97436560 CSEJQVAZQBPAOD-OWOJBTEDSA-N 303.850 3.815 0 40 DHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc(F)ccc1F)CC2=O 100190204 YKHCTGYPQZAKSW-IRXDYDNUSA-N 307.340 3.689 0 40 DHAB Cc1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 222589579 MEMQAYGUTXRYJE-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB O=C(NCCCCC(F)(F)F)[C@H]1C[C@@]12CCc1ccccc12 225502350 FMPQBXJYCMWBPG-GDBMZVCRSA-N 311.347 3.739 0 40 DHAB CO[C@@](C)(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 225642803 KPKGBTMVTWPUTI-GOSISDBHSA-N 303.402 3.762 0 40 DHAB COC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225881829 JMHZXBGAZZIJPY-UHFFFAOYSA-N 316.401 3.633 0 40 DHAB Cc1oncc1C(=O)N[C@H](c1ccsc1)c1cccs1 390826173 DRZLKNKPBIVTNK-CYBMUJFWSA-N 304.396 3.625 0 40 DHAB C[C@H](CSCC1(CO)COC1)c1ccc(C(F)(F)F)cc1 554525791 FTQRMJZRWVTWBQ-LLVKDONJSA-N 320.376 3.551 0 40 DHAB O=C1CC[C@@H](C(=O)Nc2c(F)cc(F)cc2Cl)n2cccc21 575603196 NYLPDPHGMHUSOX-LBPRGKRZSA-N 324.714 3.576 0 40 DHAB Cc1cc(O)cc(=O)n1CC[C@H](Cc1ccccc1)c1ccco1 1547139395 PFLHPVRBWNKYEJ-QGZVFWFLSA-N 323.392 3.872 0 40 DHAB O=C(CCc1ccc2ccccc2c1)Nc1cccnc1C(=O)O 1594689476 QDIQJUQYBDGPTQ-UHFFFAOYSA-N 320.348 3.504 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)c(C(=O)O)c1 2362803741 FFMKSCNHKWIGLD-UHFFFAOYSA-N 314.341 3.794 0 40 DHAB COc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 27167 FSIWGHXVLYRBFQ-UHFFFAOYSA-N 309.409 3.790 0 40 DHAB in-vitro Cc1ccc(C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 110726 JIXIOUKNNIQXML-UHFFFAOYSA-N 313.422 3.792 0 40 DHAB Cc1ccc(-n2nnnc2-c2ccc(Cl)cc2)cc1Cl 351590 CGRPJSUPTBGYGN-UHFFFAOYSA-N 305.168 3.945 0 40 DHAB Cc1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 365382 XEYGVSUPHVPRIA-UHFFFAOYSA-N 317.454 3.771 0 40 DHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1C 575890 IWFVPKMRLCIMJZ-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB CC1(C)[C@]2(C(=O)Nc3ccc(F)c(F)c3)CC[C@@]1(C)C(=O)C2 1432758 DBJBTEZSUFMLON-DLBZAZTESA-N 307.340 3.689 0 40 DHAB C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1ccco1 2664943 IGMDHRDYPWCUHI-SNVBAGLBSA-N 318.423 3.686 0 40 DHAB COc1ccccc1CCNC(=O)Nc1c[nH]c2ccccc12 5299898 BRQREQXNNXQIGR-UHFFFAOYSA-N 309.369 3.541 0 40 DHAB Cc1ccccc1-n1nnnc1SCc1cccc(Cl)c1 5353723 QQQQJUIBMZZTCD-UHFFFAOYSA-N 316.817 3.916 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)cc1 5442888 LISCWQBCSFBDKX-VUVZNRFTSA-N 307.393 3.902 0 40 DHAB Cc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 5570926 XOHRXWPZNYAJSU-UHFFFAOYSA-N 318.829 3.704 0 40 DHAB O=C(COc1ccc(C2SCCS2)cc1)NC1CCCC1 5584326 ZKTJJTLYYPREIE-UHFFFAOYSA-N 323.483 3.603 0 40 DHAB CCCSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 6107205 XNCSWJCWUMDLLO-UHFFFAOYSA-N 311.410 3.591 0 40 DHAB Clc1ccccc1N1CCN(c2ncnc3ccccc23)CC1 6277068 NUYMXAJLPCXIJB-UHFFFAOYSA-N 324.815 3.610 0 40 DHAB Cc1sc2ncnc(NCC(C)(C)N3CCCCC3)c2c1C 6949093 SQJAHVRXNVVDLU-UHFFFAOYSA-N 318.490 3.985 0 40 DHAB CCC(=O)Nc1sc2c(c1C(=O)O)CC[C@@H](C(C)(C)C)C2 8731398 DBZLBDYCJCGHER-SECBINFHSA-N 309.431 3.946 0 40 DHAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC1CC1 9160338 ZYPRYCVEKMPRRO-LURJTMIESA-N 324.755 3.513 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)cc1F 12772209 XFVPIVVIGMYECK-ONNFQVAWSA-N 313.328 3.689 0 40 DHAB Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)c(C)c1 12977045 UJMCVGBBRZKOPS-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB Cc1cc(COC(=O)c2ccc3c(c2)-c2ccccc2C3)no1 12985824 WVMVTBPOWJNJHI-UHFFFAOYSA-N 305.333 3.911 0 40 DHAB CCOc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 13015913 LWIOZVKDGYZPLW-CYBMUJFWSA-N 317.360 3.939 0 40 DHAB CC(C)c1nnc2sc(-c3cccc(Br)c3)nn12 13945088 BTMUBZRSFURXDW-UHFFFAOYSA-N 323.219 3.739 0 40 DHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cccs1 14183059 RCNSYMFEJGAAEK-UHFFFAOYSA-N 317.801 3.899 0 40 DHAB CCc1ccc2nc(NC(=O)[C@@H]3CC3(Cl)Cl)sc2c1 21320496 OMURNRZVAKSHEF-QMMMGPOBSA-N 315.225 3.991 0 40 DHAB COCc1ccccc1CNC(=O)Cc1ccc2ccccc2c1 25303619 VHEWQRZPTHWRBG-UHFFFAOYSA-N 319.404 3.845 0 40 DHAB CCOc1cc2c(=O)oc(-c3ccccc3C)nc2cc1OC 25605483 FZYYGEYIZXIZED-UHFFFAOYSA-N 311.337 3.571 0 40 DHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Cl)nc1 29607561 CVJPXOHVWIVGLW-VHSXEESVSA-N 306.715 3.586 0 40 DHAB CCCCC/C=C\C/C=C\[C@H](O)C[C@@H](O)CCCCC(=O)O 31159410 JEJFTAIQLBEZLI-JQKRGSFXSA-N 312.450 3.826 0 40 DHAB biogenic,in-vitro Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)c1cccs1 32405662 KYXCSIUVFJHMNF-JTQLQIEISA-N 315.847 3.749 0 40 DHAB Cc1ccc(C(C)C)cc1S(=O)(=O)n1cnc2ccccc21 32603623 FGOGILVTSGONKX-UHFFFAOYSA-N 314.410 3.705 0 40 DHAB O=C(COc1ccc(F)cc1)N1CCCSc2ccccc21 32676001 ZKAVHSXOHUAIIH-UHFFFAOYSA-N 317.385 3.734 0 40 DHAB O=C(Nc1cc(Br)ccn1)c1ccc(Cl)cc1 33504348 HSCGOSATFGFJNK-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB COc1cccc(OCC(=O)Nc2cccc3ccccc23)c1 40946459 MSFJTOCQEPRBQK-UHFFFAOYSA-N 307.349 3.866 0 40 DHAB Cc1nccn1-c1ccc(CNCc2ccc(Cl)s2)cn1 48782506 ZEFUFIYYQYBSNE-UHFFFAOYSA-N 318.833 3.580 0 40 DHAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccccc1 49466798 GVMBGGUZFSEUBM-MSOLQXFVSA-N 323.392 3.852 0 40 DHAB O=C(Nc1ccc(Br)cc1Cl)C(F)(F)F 57316789 IPROWGAIXFPJRT-UHFFFAOYSA-N 302.477 3.603 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2cccs2)c1C 57352269 HCGYKYCNFQYROI-GFCCVEGCSA-N 318.442 3.599 0 40 DHAB O=C(O)c1cccc(-c2nc(-c3ccc(O)cc3O)cs2)c1 58474348 HBECESLENCUPJQ-UHFFFAOYSA-N 313.334 3.587 0 40 DHAB Cc1ccc(-c2noc(CCCN(C)CC(C)C)n2)cc1F 65961834 UFPITEYZSOCPJO-UHFFFAOYSA-N 305.397 3.705 0 40 DHAB O=C(CCc1ccccn1)N1CCCC[C@@H]1Cc1ccccc1 69596712 CBHKZVWEHMHQLL-LJQANCHMSA-N 308.425 3.638 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](C)CC[C@@H]1C(C)C 71910111 BLQIUAXZJDITEM-SUMWQHHRSA-N 306.450 3.897 0 40 DHAB CC(C)c1ccc(O)c(NC(=O)CCc2nc3ccccc3[nH]2)c1 79502072 CQPWMFSVDKWSPK-UHFFFAOYSA-N 323.396 3.963 0 40 DHAB Cc1c(C(=O)Nc2c[nH]ccc2=O)oc2c1ccc1ccccc12 84068082 HXXFDTCZSMLVDG-UHFFFAOYSA-N 318.332 3.835 0 40 DHAB CC(=O)N1CCCN(Cc2ccc(F)cc2F)c2ccccc21 84863999 PDMGIYQZVFICEM-UHFFFAOYSA-N 316.351 3.728 0 40 DHAB C[C@@H](c1cccc(Br)c1)N1CCCSCC1 89980908 RDFKXBCXLMJZHG-NSHDSACASA-N 300.265 3.949 0 40 DHAB Cc1cc(CSc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)no1 95442190 DTXBCPIGQMORSS-IINYFYTJSA-N 306.435 3.926 0 40 DHAB Cc1csc([C@H](NC(=O)c2cccc(F)c2F)C2CC2)n1 96425456 SERDQPKBGQXKPD-CYBMUJFWSA-N 308.353 3.611 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1Cl 97074601 AGBAWIRJXCVEON-OAHLLOKOSA-N 321.779 3.953 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 105121595 VIKSNPXNJHXPBK-KNBMTAEXSA-N 323.440 3.817 0 40 DHAB C[C@H](NC(=O)N1CCc2sccc2C1)[C@@H]1C[C@H]2CC[C@H]1C2 107489847 KYFDDXGFCCDMRN-ABHRYQDASA-N 304.459 3.641 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](C)c1ccccc1 224448471 MMQIKCFIGVFCLI-KSSFIOAISA-N 315.388 3.903 0 40 DHAB CC(C)C(=O)CCC1=CCN(C(=O)OCc2ccccc2)CC1 257232586 GLNLQNRHRUZQKF-UHFFFAOYSA-N 315.413 3.961 0 40 DHAB CC(C)c1cc(C(=O)N2CCC(c3cnccn3)CC2)cs1 257243033 IFFXCHJHJVDQGT-UHFFFAOYSA-N 315.442 3.681 0 40 DHAB COC(=O)[C@@H](C(C)C)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260619488 NCXCRHORZUETBD-CXAGYDPISA-N 319.445 3.985 0 40 DHAB COc1ccc(F)c(CNC(=O)c2ccc(C(C)(F)F)cc2)c1 1587862862 UOKFHVNEQNGEQB-UHFFFAOYSA-N 323.314 3.876 0 40 DHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccsc1 1888941677 GFOXPBGEUBLPAQ-LLVKDONJSA-N 319.407 3.533 0 40 DHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 35972 PMVIDEWYBHLYMO-UHFFFAOYSA-N 324.163 3.652 0 40 DHAB COc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 1009415 UXKNGOFKDXDQPC-UHFFFAOYSA-N 309.409 3.790 0 40 DHAB biogenic CC(C)c1cc(Br)ccc1OCCCC(=O)O 1787405 RGGVPGLOSFZDSS-UHFFFAOYSA-N 301.180 3.816 0 40 DHAB Cc1ccn2c(CN)c(-c3ccc(Br)cc3)nc2c1 2508654 ZMXLWVXLWGGYCI-UHFFFAOYSA-N 316.202 3.531 0 40 DHAB COc1cccc(C(=O)c2ccc(Br)c(F)c2)c1 2574638 DJHOQJWPFZDYMU-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB CCc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCC3)cc1 2966305 WUVKJHSMAYGDQB-OAQYLSRUSA-N 321.444 3.509 0 40 DHAB CSc1ncccc1C(=O)Nc1ccccc1OC(F)F 3337256 XVAHNGBXBKADSR-UHFFFAOYSA-N 310.325 3.657 0 40 DHAB CCCN1C(=O)S/C(=C/c2cc(Cl)ccc2OC)C1=O 4715642 BIIJAQUXIROITO-XYOKQWHBSA-N 311.790 3.795 0 40 DHAB CC(C)CCSc1nnc(NC(=O)NC(C)(C)C)s1 4851430 TYBMHDJJEIQAFO-UHFFFAOYSA-N 302.469 3.596 0 40 DHAB COc1ccc(NC(=O)COc2ccc(F)cc2)cc1Cl 5463567 ZQLYEIWWZARAGB-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB COc1ccccc1OCCC(=O)Nc1ccc(F)c(Cl)c1 5959989 ZTIZRTZMTPGIHN-UHFFFAOYSA-N 323.751 3.895 0 40 DHAB O=C(Nc1ccc(F)cc1)[C@H](NCc1ccco1)c1ccccc1 6508184 UGDPFDLLUPYEHU-GOSISDBHSA-N 324.355 3.888 0 40 DHAB FC(F)Oc1ccc(NC(=S)NCCc2ccccc2)cc1 6548483 ZNXPFBNOUMYRAC-UHFFFAOYSA-N 322.380 3.817 0 40 DHAB C/C=C/c1ccc(OCC(=O)NC2CCCCCC2)c(OC)c1 6839888 GGWFWBAPRXSITQ-FPYGCLRLSA-N 317.429 3.946 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1ccccc1 8478182 IPIPNHDHSKNYHQ-MRXNPFEDSA-N 301.361 3.642 0 40 DHAB Cc1ccccc1CN1CCC(C(=O)N2CCCCCC2)CC1 9062883 AAQIDTXRQPXASS-UHFFFAOYSA-N 314.473 3.610 0 40 DHAB C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@H](C)O1 12536333 GURQSQVNVBEDBZ-GJZGRUSLSA-N 310.397 3.680 0 40 DHAB CCOc1ccc(OCC)c(-c2csc(NC(=O)CC)n2)c1 12623070 HUOSIXGGQLSFST-UHFFFAOYSA-N 320.414 3.956 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 12751901 CAXWEAMLWUFJGB-HNNXBMFYSA-N 312.344 3.507 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3c(F)cccc3F)cnc21 12797069 OGJDMENWRHGPFL-UHFFFAOYSA-N 316.311 3.543 0 40 DHAB COc1ccc2nc(SCc3cccc(C(=O)O)c3)[nH]c2c1 13061382 LWNKRJVVIIZQPY-UHFFFAOYSA-N 314.366 3.562 0 40 DHAB CCCNC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C 13331624 PESHTHYSJIUVBK-UHFFFAOYSA-N 320.824 3.733 0 40 DHAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1c(F)cccc1F 14077186 VCRKODWEOYVSMM-MRXNPFEDSA-N 316.351 3.740 0 40 DHAB CCOc1ccccc1NC(=O)c1cnc2c(cnn2C(C)C)c1 14197361 PMJSOIHEYUTIEV-UHFFFAOYSA-N 324.384 3.663 0 40 DHAB Cc1cc([C@H]2CCCCCN2C(=O)c2cc(C(C)C)on2)on1 19120134 PAFVBUYLBKHMII-CQSZACIVSA-N 317.389 3.852 0 40 DHAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(OC(C)C)cc1 20141837 DIGWOQYEFSRIFG-UHFFFAOYSA-N 313.353 3.733 0 40 DHAB Cc1cc2ncn(CC(=O)NCCC3=CCCCC3)c2cc1C 22814192 XTUPVDLAHHXYLU-UHFFFAOYSA-N 311.429 3.660 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc(C(C)C)cs2)c1 24343828 PQBMHFCCZRUPDZ-LBPRGKRZSA-N 304.415 3.981 0 40 DHAB Cc1oc(C)c(C(=O)NCCCn2ccc3ccccc32)c1C 24347913 RSWROAXYOSEYTK-UHFFFAOYSA-N 310.397 3.980 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(C(C)C)no1 31488464 MLMOWWFEHQNSRE-UHFFFAOYSA-N 307.781 3.726 0 40 DHAB Cc1cc(CNC(=O)N[C@H](C)CCc2ccco2)ccc1F 32779696 HADOPGWKAZLEHZ-CYBMUJFWSA-N 304.365 3.548 0 40 DHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(c2ccccc2)=NO1 33146356 DJIXOOVSHBOLFS-MRXNPFEDSA-N 314.772 3.780 0 40 DHAB COc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(OC)c1 33329010 YCBZLCJXUBRQJG-AUWJEWJLSA-N 315.756 3.850 0 40 DHAB COCCNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 36357810 MCBPRZPZXOWOEZ-UHFFFAOYSA-N 311.406 3.945 0 40 DHAB Cc1nc(C(=O)OCc2cc(-c3cccs3)on2)cs1 36662607 YYEKTRUPNHUDIA-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(Cl)cc1F 40108303 RPZONSCKJKFWAF-IAQYHMDHSA-N 313.800 3.804 0 40 DHAB O=C(Cc1cc(-c2ccco2)on1)Nc1ccc(F)c(F)c1F 42379810 ZQCJYZOZYAVYHA-UHFFFAOYSA-N 322.242 3.533 0 40 DHAB Cc1ncc(CN(C)[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 44972274 DNBQFVNEKUNQQX-LLVKDONJSA-N 313.426 3.636 0 40 DHAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc[nH]n1)C1CC1 49653977 IMKFYTWIHPTTDF-JTQLQIEISA-N 323.318 3.794 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)[nH]n1 53833208 DLRDHGLNWBNOQK-AWEZNQCLSA-N 321.380 3.791 0 40 DHAB O=C(c1ccc(CSc2ccc(O)cc2)cc1)N1CCCC1 58250355 VYHXBVLMABNOAM-UHFFFAOYSA-N 313.422 3.921 0 40 DHAB COc1ccc([C@@H]2C[C@@H]2C(=O)N(Cc2ccco2)C2CC2)cc1 65608611 IXDTUSULBZSATQ-ROUUACIJSA-N 311.381 3.583 0 40 DHAB Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccnc(C(C)C)n2)n1 71754527 DJDMWKSEPXGHDU-OAHLLOKOSA-N 324.432 3.538 0 40 DHAB C[C@H](NCc1csc(C2CCCC2)n1)[C@H](C)n1cccn1 71882057 DQNWDYFYRREUEE-STQMWFEESA-N 304.463 3.737 0 40 DHAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1F 72228977 YOJIKRXAEUHSTC-UHFFFAOYSA-N 324.359 3.530 0 40 DHAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(C)C)C1 72383514 ZSOUVQTVDJWYPQ-HNNXBMFYSA-N 312.417 3.560 0 40 DHAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(-c2cncnc2)cc1 73250471 QKFUZQVRMYNEJU-YOEHRIQHSA-N 307.397 3.677 0 40 DHAB CC(C)CCc1noc(C2(c3ccc(F)cc3)CCOCC2)n1 75134667 LXXFPHIYTPZOBC-UHFFFAOYSA-N 318.392 3.894 0 40 DHAB Cc1ccoc1C(=O)N[C@H](C)c1nc(-c2cccnc2)cs1 75136655 WHTOUUZPFBBIOR-LLVKDONJSA-N 313.382 3.598 0 40 DHAB COCc1nc(CN2C[C@@H](C)Oc3ccc(Cl)cc32)cs1 76005257 ZVOSVEUZQSGASM-SNVBAGLBSA-N 324.833 3.730 0 40 DHAB O=C(C[C@H]1CC(=O)Oc2ccccc21)Nc1ccc2cc[nH]c2c1 79193632 YPFVYNZCGUMOFU-ZDUSSCGKSA-N 320.348 3.589 0 40 DHAB biogenic O=Cc1c(Br)ccc(OCc2ccccc2)c1F 90411237 GRIVHAIKQQBTIY-UHFFFAOYSA-N 309.134 3.980 0 40 DHAB in-vitro CC(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695508 WCCFRQBVHCRFJU-UHFFFAOYSA-N 323.318 3.792 0 40 DHAB CCSc1ccccc1NC(=O)NCC1(CCOC)CC1 95426819 XGXQCTJRNWFDMD-UHFFFAOYSA-N 308.447 3.737 0 40 DHAB Cc1ccc(CN2CCC3(CC2)CCN(CC(C)C)C3=O)s1 96046768 RZZGCXLKAZLXFH-UHFFFAOYSA-N 320.502 3.527 0 40 DHAB C[C@H](Nc1cnn(C)c1)c1ncc(-c2ccc(Cl)cc2)o1 97139785 HMGZVDJZFCPQKF-JTQLQIEISA-N 302.765 3.902 0 40 DHAB COCCNc1ccccc1NC(=O)C1CCC(F)(F)CC1 191193082 OXOUGFCBFBUQFT-UHFFFAOYSA-N 312.360 3.509 0 40 DHAB Cc1cccc(CSCCNC(=O)Cc2ccccc2F)c1 225444880 RMHBTUIMINOWMP-UHFFFAOYSA-N 317.429 3.726 0 40 DHAB CCO[C@@](C)(C(=O)Nc1ccc(OC)c2ccccc12)C1CC1 225836939 BLLHNKITBDXTFN-LJQANCHMSA-N 313.397 3.992 0 40 DHAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c(C)n1 225889425 ZTIUUJVWAKEMNE-ACJLOTCBSA-N 320.433 3.713 0 40 DHAB FC(F)(F)Oc1cc(Br)c2nc(Cl)[nH]c2c1 258839561 VVCBOESPZYLLRB-UHFFFAOYSA-N 315.476 3.877 0 40 DHAB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C/[N+](=O)[O-])o2)c1 409005576 FIAPAFHNIWOZAY-VOTSOKGWSA-N 307.689 3.634 0 40 DHAB CCc1nnc(O)c(-c2nc(-c3ccns3)cs2)c1CC 585137994 GOCCFEZFFSSBES-UHFFFAOYSA-N 318.427 3.554 0 40 DHAB O=C(NCC(c1ccco1)c1ccco1)Nc1cccs1 675007703 JDYQDPXEEIXPEH-UHFFFAOYSA-N 302.355 3.888 0 40 DHAB CO[C@H](CNc1ncc(Cl)cn1)c1ccc(Cl)s1 1775996168 YHEMZPYVPFOKFJ-MRVPVSSYSA-N 304.202 3.645 0 40 DHAB COC(=O)CCc1c[nH]c2c(OCc3ccccc3)cccc12 1857793095 HHVUIAFPPKPAGG-UHFFFAOYSA-N 309.365 3.853 0 40 DHAB c1csc(OC2CCN(Cc3csc(C4CC4)n3)CC2)n1 2086883010 SWVJDJZKOPEEIS-UHFFFAOYSA-N 321.471 3.520 0 40 DHAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCC1 413580 AJHPQOBTHBYNFJ-UHFFFAOYSA-N 314.454 3.820 0 40 DHAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccc(F)cc1F 423912 ZHRROMSKXRYYOF-HNNXBMFYSA-N 309.312 3.883 0 40 DHAB CCOc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 469432 VSLSWBVAZZCISO-MOPGFXCFSA-N 315.413 3.809 0 40 DHAB CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCCCCC2 483923 ZTCLPWPHXGIDDV-UHFFFAOYSA-N 321.442 3.932 0 40 DHAB CCCn1nc(NC(=O)C(C)C)c2cc3ccc(C)cc3nc21 527661 RWMWCORPZLRQDA-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB Cc1cccc(C)c1N(Cc1ccccc1Cl)S(C)(=O)=O 582612 SQTMPQYXRBCZIU-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB O=C(O)c1cccc(Nc2ncnc3sc4c(c23)CCC4)c1 1925534 IBJSMVRLDMWAMT-UHFFFAOYSA-N 311.366 3.622 0 40 DHAB CCCCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2ccccc21 2242113 KXBFUHMSIPWBJR-FQEVSTJZSA-N 320.392 3.551 0 40 DHAB CCn1cc(Cl)c(-c2nnc(Cc3ccc(Cl)cc3)o2)n1 2804929 KDORATZTJYTWAF-UHFFFAOYSA-N 323.183 3.851 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1 3102061 ZHSQNYTUKSYUAX-UHFFFAOYSA-N 310.444 3.550 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C)cc2C)c1 3241585 PMBZRYGPVPPUTQ-UXBLZVDNSA-N 311.381 3.973 0 40 DHAB O=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)s1 3295983 BRMVKLRAKHKPEV-UHFFFAOYSA-N 312.749 3.509 0 40 DHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccccc1 3573561 YUABIRVINSLYGN-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc2ncsc2c1 4088353 OXKQHTUQCDQRBK-UHFFFAOYSA-N 315.423 3.884 0 40 DHAB CC(C)(C)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 4221011 IDDATISHXDSIBW-UHFFFAOYSA-N 312.365 3.831 0 40 DHAB O=C1C[C@@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1cc(Cl)cc(Cl)c1 4860184 MYGHKFZMGWTNIN-KCWFYHRYSA-N 322.191 3.839 0 40 DHAB O=C(CCc1ccccc1)Nc1ccnn1Cc1ccccc1 5089739 FAXXGVORKLZPFN-UHFFFAOYSA-N 305.381 3.503 0 40 DHAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)C1CCCC1 5373806 DEKFDXXOTLTXQN-UHFFFAOYSA-N 312.413 3.505 0 40 DHAB Cc1ccccc1-n1c(S)nc2cc(Cl)ccc2c1=O 5928073 YNVCPEMGRHWAIS-UHFFFAOYSA-N 302.786 3.636 0 40 DHAB in-vitro O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccccc1 6227483 ICOQCZFKYSCGLA-UHFFFAOYSA-N 307.349 3.527 0 40 DHAB CCC(C)(C)NC(=O)COc1ccccc1Cc1ccccc1 7016147 XAMPRQFGAWDWMH-UHFFFAOYSA-N 311.425 3.961 0 40 DHAB CCCc1nnc(S/C(=C\c2ccc(Cl)cc2)C(=O)O)[nH]1 7342228 RUGWFHCPQDUCCX-FLIBITNWSA-N 323.805 3.628 0 40 DHAB c1nc(SC[C@@H]2CCCCO2)c2c3c(sc2n1)CCC3 7779796 RSTALMYFCHHYDT-JTQLQIEISA-N 306.456 3.841 0 40 DHAB CC(=O)c1ccccc1NC(=O)CNc1ccc(F)c(Cl)c1 7972629 SWRAOXSVZLLDKN-UHFFFAOYSA-N 320.751 3.732 0 40 DHAB Cc1cc(Cl)c(C)c(S(=O)(=O)NC2CCCC2)c1Cl 8447745 QVGCFQHLHSVWJV-UHFFFAOYSA-N 322.257 3.831 0 40 DHAB CC(=O)Nc1ccccc1OCc1cc(Cl)c2c(c1)OCO2 9752582 NOOKBJVGXJMPSZ-UHFFFAOYSA-N 319.744 3.606 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 11427655 GGMCAPKTKJHDQD-KRWDZBQOSA-N 313.422 3.968 0 40 DHAB Cc1c(C(=O)NCCC[C@@H]2CCOC2)oc2c(C)cccc12 12204109 JPXPHLNFDXSATF-CQSZACIVSA-N 301.386 3.596 0 40 DHAB O=C(NCc1cccnc1)c1ccc(Oc2ccccc2)cc1 12537665 PCWRYVVSPBQDBX-UHFFFAOYSA-N 304.349 3.804 0 40 DHAB O=C(NC1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 12853771 ROEUGCIRTOWMDJ-JXMROGBWSA-N 320.436 3.594 0 40 DHAB Cc1cc(C)cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 12981764 JOEOZOXZVLPHAH-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB CCN(CC)c1nc(-c2cccc(OC)c2O)nc2ccccc12 13127683 KQGLFHXAVFFSFH-UHFFFAOYSA-N 323.396 3.857 0 40 DHAB O=C1NC(=O)c2ccccc2/C1=C/c1cccc(C(F)(F)F)c1 15661967 VWDRIMIQWMUUTF-ZROIWOOFSA-N 317.266 3.516 0 40 DHAB COc1ccc(CO)cc1OCc1cccc(Br)c1 20032379 PBUAECDGVFLBRE-UHFFFAOYSA-N 323.186 3.529 0 40 DHAB Cc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)cc1Cl 20139356 LVGVJDPYGRHKEZ-UHFFFAOYSA-N 319.744 3.613 0 40 DHAB CCOc1ccc(-n2c(S)nnc2-c2cccs2)cc1 20303853 LYGWOSRFAWTPBL-UHFFFAOYSA-N 303.412 3.683 0 40 DHAB C[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(F)cc1 23269000 LDUPSLMFZVWIED-ZDUSSCGKSA-N 309.344 3.502 0 40 DHAB C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccccc1OC(F)F 25791611 HEXSFIUCUWHVFB-IDVQTMNDSA-N 318.323 3.574 0 40 DHAB Cc1ccsc1CNC(=O)CCSc1ccc(F)cc1 25998566 TXZJDPNXEKKTNY-UHFFFAOYSA-N 309.431 3.994 0 40 DHAB CC[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCCC1 31229416 QQDZMUSVDPLWST-FQEVSTJZSA-N 322.452 3.958 0 40 DHAB C[C@@H]1CCN(C(=O)CCc2ccc3c(c2)OCO3)c2ccccc21 31781656 IEQQXJYQVUQBBA-CQSZACIVSA-N 323.392 3.888 0 40 DHAB CCc1c(C)sc2nc(O)n3nc(-c4ccccc4)nc3c12 32088556 FDVRHDPFSVBKFJ-UHFFFAOYSA-N 310.382 3.582 0 40 DHAB Cc1cccc(OCCSCC(=O)NC2CCCCC2)c1 33047537 JNBKKPJVXOXIIQ-UHFFFAOYSA-N 307.459 3.556 0 40 DHAB Nc1ccc(Cl)c(C(=O)Nc2ccccc2OC(F)F)c1 36906490 AWWYLEJSTTWUHG-UHFFFAOYSA-N 312.703 3.776 0 40 DHAB O=C(NCC1(c2ccccc2)CC1)Nc1ccc(F)c(F)c1 40097593 GJWUCHLESQKTJG-UHFFFAOYSA-N 302.324 3.818 0 40 DHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)C[C@@H]1C=CCC1 40108486 WDYHRMDSDNDQSU-QWHCGFSZSA-N 322.246 3.853 0 40 DHAB O=C(C[C@H]1CCCO1)N[C@H](c1ccccc1)C1CCCCC1 40108830 ZUNVXFBTAWXAJD-IEBWSBKVSA-N 301.430 3.993 0 40 DHAB COc1ccc(F)cc1[C@H](O)c1ccccc1Br 40258377 UPKVHUQRPRGNGR-CQSZACIVSA-N 311.150 3.679 0 40 DHAB Cc1nc(NCc2ccccc2)sc1C(=O)NC1CCCC1 40266833 KMOFVKJGRYDGDD-UHFFFAOYSA-N 315.442 3.736 0 40 DHAB CCOc1ccccc1-c1nnc(SCc2cccnc2)o1 40496525 XPFHKWZYVIUNMB-UHFFFAOYSA-N 313.382 3.823 0 40 DHAB Cc1cccc(NC(=O)CCCc2nc(C(C)C)no2)c1C 40515640 OSMVGUSGPZFBBZ-UHFFFAOYSA-N 301.390 3.771 0 40 DHAB C[C@H]1CCCCN1[C@@H](C)CNC(=O)Nc1ccccc1Cl 45951194 ABHNPODXJCZBLA-STQMWFEESA-N 309.841 3.724 0 40 DHAB CC(C)(C)OC(=O)NC1CCN(Cc2cccc(Cl)c2)CC1 52909020 INPOLVZYFMSOSM-UHFFFAOYSA-N 324.852 3.829 0 40 DHAB O=C(CN1CCc2sccc2C1)C12CC3CC(CC(C3)C1)C2 57830312 UGILNLKBGPOZOC-UHFFFAOYSA-N 315.482 3.892 0 40 DHAB O=C(Nc1ccncc1)N(Cc1ccc(O)cc1)Cc1ccco1 57882227 HTDGZEWECYHEQN-UHFFFAOYSA-N 323.352 3.615 0 40 DHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccccn1 68732379 QSOVWHUBEXVWJW-AWEZNQCLSA-N 308.381 3.980 0 40 DHAB CCO[C@@H](C)c1nc(CN(CC)c2cccc(CO)c2)cs1 76725272 MOEJBHOCWLKYAB-ZDUSSCGKSA-N 320.458 3.759 0 40 DHAB COc1ccc([C@@H](C)N[C@@H]2CCc3c(O)cccc32)c(F)c1 95967726 IXUMBGROLHWLPR-PIGZYNQJSA-N 301.361 3.878 0 40 DHAB C[C@@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96241566 OWHVAYMZHLVODG-OAHLLOKOSA-N 306.409 3.763 0 40 DHAB CCc1nn(-c2ccc(C)cc2)c2nnc(-c3ccccc3)nc12 96316685 ODIISEAQTDNPCJ-UHFFFAOYSA-N 315.380 3.748 0 40 DHAB O=C(NCCc1ccccn1)[C@@H]1C[C@H]1c1cccc2ccccc12 96404781 XHUPBAUHPCJXNU-VQTJNVASSA-N 316.404 3.697 0 40 DHAB O=C1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 100514335 MCYPSFONYBCDGT-UHFFFAOYSA-N 319.389 3.951 0 40 DHAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 101151834 WHRHSPJKHGPVCS-QYAIJTBZSA-N 322.191 3.695 0 40 DHAB Cc1ccc([C@@H]2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)cc1 102047931 NJRBXUROYKFGPE-SFHVURJKSA-N 317.396 3.654 0 40 DHAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2)c1 224082976 UXCRSCVHAHNIFM-CQSZACIVSA-N 313.397 3.803 0 40 DHAB CCCCOCc1cc(C(=O)NCC(C)C)ccc1OCC 224723515 MKDCJXLLFYQEMK-UHFFFAOYSA-N 307.434 3.788 0 40 DHAB Cc1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1Cl 225584589 UYCVTTBXJJVEQN-INIZCTEOSA-N 323.864 3.666 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(F)cc1 225635057 JTZZXCDDLUBYJD-ZDUSSCGKSA-N 318.417 3.888 0 40 DHAB CCCN(C(=O)c1ccco1)[C@H](C)CC(=O)Nc1ccccc1 225717635 PBXFAUAPCDDNBC-CQSZACIVSA-N 314.385 3.549 0 40 DHAB Cc1ccc(N)cc1-c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 226301105 QNMNIOHZYUZPQF-STQMWFEESA-N 312.413 3.955 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)CO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 248333770 KLAVVVARGBVTEU-NJHADGRTSA-N 323.521 3.557 0 40 DHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251196438 FCFRVRISNPSYCB-RKLWJJNISA-N 307.821 3.802 0 40 DHAB C[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)NCc1nccs1 583651337 LFJMGRUXZIAOEZ-LURJTMIESA-N 322.302 3.559 0 40 DHAB O=C(NCc1cncc(-c2cccnc2)c1)c1cccc(Cl)c1 825576718 PNXVPKNQTPVFJD-UHFFFAOYSA-N 323.783 3.727 0 40 DHAB CO[C@@H](CNc1ncnc2ccc(Cl)cc12)c1ccco1 1775972858 ZBRWUWIKDUQDRG-AWEZNQCLSA-N 303.749 3.676 0 40 DHAB Cc1cnn(CC2CN(Cc3ccc(Cl)c(Cl)c3)C2)c1 1889128331 ZYWYXCYSVADUFE-UHFFFAOYSA-N 310.228 3.630 0 40 DHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 244972 RTOXIKUBQUMKHU-MRXNPFEDSA-N 303.427 3.793 0 40 DHAB Cc1nn2c(C(F)(F)F)cc(C3CC3)nc2c1Br 2786418 BRGXWNOLFBBJMY-UHFFFAOYSA-N 320.112 3.696 0 40 DHAB COc1cnc(-c2ccccn2)nc1Oc1cccc(Cl)c1 3128557 KIYVHIIADWNBLP-UHFFFAOYSA-N 313.744 3.993 0 40 DHAB Cc1cc(C)cc(-c2nnc(S[C@@H]3CCCCC3=O)o2)c1 5219277 PUQCQWPXGOVJHO-CQSZACIVSA-N 302.399 3.957 0 40 DHAB O=C(Nc1ccc(F)c(F)c1)c1ccc(Br)o1 5670824 OYHKSYYSVFXGCQ-UHFFFAOYSA-N 302.074 3.573 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCC[C@H](C)C1 6356062 JHQZQXQDMVUSSM-ULQDDVLXSA-N 305.462 3.672 0 40 DHAB Cc1sc(-n2cccc2)c(C(=O)Nc2nccs2)c1C 8395733 KCWHJQKSJQTHQZ-UHFFFAOYSA-N 303.412 3.864 0 40 DHAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccccn1 8734507 NONWTELBBXFZQF-UHFFFAOYSA-N 307.378 3.556 0 40 DHAB O=C(CCc1cccnc1)Nc1nc2ccc(Cl)cc2s1 9368608 ILBQENQIADHKAR-UHFFFAOYSA-N 317.801 3.916 0 40 DHAB C/C=C/c1cc(C(=O)Nc2nc(C)cs2)cc(OC)c1OC 9502942 HQRGJSSQJXVKGJ-AATRIKPKSA-N 318.398 3.754 0 40 DHAB NC(=O)c1ccc(CSCCOc2cccc(Cl)c2)cc1 9544438 KEZKVIQLOKGQRW-UHFFFAOYSA-N 321.829 3.751 0 40 DHAB Cc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1F 9725356 UKPHZHGOWKIUCD-JTQLQIEISA-N 308.303 3.851 0 40 DHAB CC(=O)Nc1cccc(NC(=S)Nc2ccc(F)cc2)c1 13936016 CYILPMONEGIEIE-UHFFFAOYSA-N 303.362 3.593 0 40 DHAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(OCC)cc1 13938858 WEPPVQPVNQVSMB-AWEZNQCLSA-N 313.463 3.580 0 40 DHAB CCCCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 17322700 RVQCFINFMVWUMN-UHFFFAOYSA-N 321.808 3.629 0 40 DHAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1 20481829 NNARCPAPQOINOK-CYBMUJFWSA-N 321.467 3.756 0 40 DHAB C[C@H](NC(=O)C1(c2ccccc2)CCC1)c1ccc2c(c1)OCO2 25584360 ISUDDLZWWLXVJL-AWEZNQCLSA-N 323.392 3.714 0 40 DHAB C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccncc1 26187763 GDWWBSVFYPZFRT-LLVKDONJSA-N 323.318 3.661 0 40 DHAB CCC(=O)Nc1ccc([C@H](C)NC(=O)c2sccc2C)cc1 27610046 WHRUALXZEFVABV-LBPRGKRZSA-N 316.426 3.896 0 40 DHAB COc1cccc(/C=C/C(=O)N(C)[C@@H]2CCc3ccccc32)c1 27818444 ODDOXYKJKHBTHP-YFPIXMDGSA-N 307.393 3.854 0 40 DHAB CCn1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)nc2ccccc21 27923504 CPXXGNZCEDRJPC-LSDHHAIUSA-N 305.381 3.798 0 40 DHAB O=C(/C=C/c1cccs1)Nc1ccccc1Cn1cccn1 32832856 ZYOWVNGCVXRUQZ-CMDGGOBGSA-N 309.394 3.645 0 40 DHAB Cc1noc(C)c1C(=O)N1CCSc2ccc(Cl)cc21 40501048 YQUCOZYALGQXDC-UHFFFAOYSA-N 308.790 3.697 0 40 DHAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C3CCC3)cc2)C1 48310574 QQEHWZNRRHTHJN-IYBDPMFKSA-N 314.473 3.581 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2C)cc1 48390627 PHZMNPCJQQZJBB-UHFFFAOYSA-N 311.385 3.665 0 40 DHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccccc1 49466766 UVYDAWWNLLEVJU-QZTJIDSGSA-N 323.392 3.708 0 40 DHAB CSc1nc(N)cc(Nc2cc(Cl)cc(Cl)c2)n1 49467385 RQCGLMRWDJWAKX-UHFFFAOYSA-N 301.202 3.831 0 40 DHAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)C1CCCC1 54314304 HRRWAEGAUHDOAO-UHFFFAOYSA-N 321.848 3.695 0 40 DHAB CC(C)(C)N1CCCN(Cc2nc3ccccc3s2)CC1 60211331 YSDUITJVRYMSFZ-UHFFFAOYSA-N 303.475 3.603 0 40 DHAB Cc1ccccc1C(=O)NCCc1nc(-c2ccccc2)oc1C 62576075 JRXWPJYHTGSRGB-UHFFFAOYSA-N 320.392 3.931 0 40 DHAB CCOc1ccccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 65609947 PFXLABFHMONENX-LLVKDONJSA-N 316.323 3.892 0 40 DHAB Cc1ccc(-c2nnc(S[C@H](C)c3nnc(C)o3)o2)c(C)c1 66260442 URDBDROCPOSZOJ-SNVBAGLBSA-N 316.386 3.898 0 40 DHAB Cc1nc(CNCc2cccc(NC(=O)CC(C)C)c2)cs1 68258339 FJLPPUBXRHKNKT-UHFFFAOYSA-N 317.458 3.726 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2cccc(F)c2C)c1 71760531 FPYURASYDARMRZ-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB CC(C)c1nc([C@H]2CCCN(c3cnc4ccccc4n3)C2)no1 72279264 LCVOGLCBDIVTBW-ZDUSSCGKSA-N 323.400 3.520 0 40 DHAB Clc1cc(Cl)cc(-c2noc(N3CCSCC3)n2)c1 75094694 NENVYXCRWLSKOK-UHFFFAOYSA-N 316.213 3.597 0 40 DHAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)[C@H]2CCOC2)n1 76042948 LXLIMBIIUUGIEF-QWHCGFSZSA-N 322.474 3.531 0 40 DHAB O=C(CC[C@@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1 76919897 ZWTSNXUATRKWRM-AWEZNQCLSA-N 307.365 3.512 0 40 DHAB COc1ccc(CCCNC(=O)CCc2ccc(F)cc2)cc1 79849290 VAZWREIXHCAHKN-UHFFFAOYSA-N 315.388 3.516 0 40 DHAB COc1ccc([C@@H]2CCN(C(=O)c3ccccc3C(C)=O)C2)cc1 81025604 OAZQDIYCSIWXCO-MRXNPFEDSA-N 323.392 3.528 0 40 DHAB C[C@H](c1ccco1)N(C(=O)Nc1cnc(C2CC2)nc1)C1CC1 95409908 GVKMUFVYWBXABO-LLVKDONJSA-N 312.373 3.705 0 40 DHAB COCCNc1ccc(CN[C@@H](C)c2sccc2C)cc1 95421904 LIOIWZDEPSOJHE-AWEZNQCLSA-N 304.459 3.966 0 40 DHAB O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc(O)cc1F 95992999 DNVOVOIQQUJAEU-HNNXBMFYSA-N 305.736 3.602 0 40 DHAB C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H](c2ccco2)C1 96441258 LGVWFPJDLYZDDW-RISCZKNCSA-N 300.358 3.758 0 40 DHAB C[C@H](N[C@@H]1CCO[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 97032913 AOYHLFHFBYGRBL-WCABBAIRSA-N 303.233 3.794 0 40 DHAB O=C(Nc1cnns1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 97105268 XKIBBPQSQIQVRR-VHSXEESVSA-N 314.197 3.587 0 40 DHAB CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 97143233 BJEFDNDVORUICD-MOPGFXCFSA-N 323.392 3.539 0 40 DHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100100028 CWSNMGQUGUMPII-FCZZECIWSA-N 309.409 3.912 0 40 DHAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NCc1ccccc1)C2 100773899 SFSGQPRQMNUZTA-IRXDYDNUSA-N 316.445 3.707 0 40 DHAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1c1ccc(Cl)cc1 210201444 SEGQNQKZEPOMED-WQLSENKSSA-N 304.758 3.909 0 40 DHAB O=C(NC1CCCCC1)c1cnc(-c2ccc(Cl)cc2)nc1 222600823 VKMCUNGFVIYCKG-UHFFFAOYSA-N 315.804 3.860 0 40 DHAB COc1ccc(CN(C)C(=O)Cc2ccc(Cl)cc2F)cc1 223206512 YQMBGNXAXAQIQY-UHFFFAOYSA-N 321.779 3.689 0 40 DHAB CCOc1ccccc1C[C@@H](Oc1ccccc1Cl)C(=O)O 225103947 DQRBNCFVOXXPHW-MRXNPFEDSA-N 320.772 3.813 0 40 DHAB CS[C@@H]1CCN(C(=O)c2ccc(-c3cccs3)cc2)C1 225614596 RCGUCEHIZSFVDT-CQSZACIVSA-N 303.452 3.993 0 40 DHAB Cc1cccc([C@@H]2CCCCCN2C(=O)CC2CCNCC2)c1 237787091 OOSPBSGFKLGGTP-IBGZPJMESA-N 314.473 3.828 0 40 DHAB O=C(N[C@H]1CC[C@H](c2ccccc2F)C1)c1ncoc1C1CC1 585139767 XADDGLJLRSHWOU-STQMWFEESA-N 314.360 3.757 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC(C)C)nc1 1775969246 FZOPFHJNRSSDOQ-CALCHBBNSA-N 314.429 3.830 0 40 DHAB CC(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)OCCO3)c1 84486 FIALIOZKTMGSIH-UHFFFAOYSA-N 313.353 3.539 0 40 DHAB Cc1cccc(-c2nc3cc(NC(=O)[C@@H]4CCCO4)ccc3o2)c1 367896 FGCHSXIKNLFXNO-KRWDZBQOSA-N 322.364 3.921 0 40 DHAB CCOC(=O)/C=C(\C)Nc1ccc2c(C)c(C)n(C)c2c1OC 1423611 OISNWLZYLAYIRE-ZHACJKMWSA-N 316.401 3.683 0 40 DHAB CCCc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)cc1 1475480 YEFQDLJDRNSLNS-SFHVURJKSA-N 305.462 3.643 0 40 DHAB COC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4427657 HSHZSGMGUPCLOF-UHFFFAOYSA-N 300.398 3.706 0 40 DHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)c1ccccc1 5248940 RSGITSNZHFPGQQ-UHFFFAOYSA-N 303.774 3.586 0 40 DHAB COCCn1cc(NC(=O)NCc2ccccc2)c2ccccc21 5266391 DKNWTXPEVWLOJJ-UHFFFAOYSA-N 323.396 3.609 0 40 DHAB CCCC[C@H](N)CCCNc1cc(OC)cc2cccnc12 5421944 SQEGRDNMFLTUEA-HNNXBMFYSA-N 301.434 3.953 0 40 DHAB CCOC(=O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1 5783232 GNPPYLDKMSZBAI-UHFFFAOYSA-N 316.357 3.917 0 40 DHAB O=C(Nc1cc(Cl)c(NC(=O)C2CC2)cc1Cl)C1CC1 6224127 BDQDHUYWGGTEMP-UHFFFAOYSA-N 313.184 3.690 0 40 DHAB CC[C@H](C)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 6307072 BOPKAHUONIEPIW-SCLBCKFNSA-N 311.381 3.979 0 40 DHAB Cc1ccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)cc1 6506463 AZCLZEYPANDBFL-UHFFFAOYSA-N 309.369 3.669 0 40 DHAB Cc1ccc2nc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)[nH]c2c1 6694388 ULIDUSJEAUCJSY-STQMWFEESA-N 317.458 3.753 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)cc1 7944165 JJDRBYKJBYYHKK-LJQANCHMSA-N 320.392 3.898 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1 9690226 UOSJNQWQTFDMQZ-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(N(C)C)cc1 9919090 ICWXKNNZZQLSEH-AWEZNQCLSA-N 312.413 3.561 0 40 DHAB CCCCc1nnc2sc(-c3cccc(OCC)c3)nn12 11278015 ITIVDYHWVYKURT-UHFFFAOYSA-N 302.403 3.594 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1 12215977 KDFPGLMZDZUUHB-NSHDSACASA-N 321.829 3.754 0 40 DHAB CCCCOc1ccc(C(=O)Nc2cccnc2)cc1OC 12547056 QSHPKPXSLLMFSI-UHFFFAOYSA-N 300.358 3.521 0 40 DHAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12813971 COHUATLWCLXFNR-QGZVFWFLSA-N 323.392 3.825 0 40 DHAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1cccc2c1CCCC2 13466630 LBIBFRGXMQNACO-KRWDZBQOSA-N 323.392 3.762 0 40 DHAB Cc1cc(C)c(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1C 14790677 DERKQXLUBHERNO-OAHLLOKOSA-N 316.426 3.853 0 40 DHAB COc1cccc(NC(=S)NCCCOC2CCCCC2)c1 18168149 YFBJTIKZCJNSJA-UHFFFAOYSA-N 322.474 3.721 0 40 DHAB c1csc(-c2noc([C@@H]3CCN(Cc4ccsc4)C3)n2)c1 19344694 KOIGCNRRLSWDRI-GFCCVEGCSA-N 317.439 3.849 0 40 DHAB O=C(NCCc1ccccc1)c1cc(Br)ccc1F 19519215 QXHCEKUXZFMKIC-UHFFFAOYSA-N 322.177 3.561 0 40 DHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)C2CC2)sc1C 19559690 UNITYYSIKGRZGS-ZDUSSCGKSA-N 306.456 3.631 0 40 DHAB CCCCO[P@@](C)(=O)OC[C@H]1CCCN2CCCC[C@@H]12 20111180 MHYQTYYTGDIMIE-QEEYODRMSA-N 303.383 3.907 0 40 DHAB biogenic O=C1C[C@@H](c2ccccc2)c2cc(Br)ccc2N1 22053139 NGZWCCIWYKYWDL-LBPRGKRZSA-N 302.171 3.923 0 40 DHAB in-vitro COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)c1 22524778 UVHHJLHDGSWHHH-LSDHHAIUSA-N 313.397 3.648 0 40 DHAB COc1ccc(-c2noc(CNc3cccc(C(C)=O)c3)n2)cc1 23003984 VKJZEAULZGLBED-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB COc1ccc(-c2noc(CNc3ccccc3C(C)=O)n2)cc1 23004098 KPZADUJSRPAMSU-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB CCc1ccc(-c2noc(CN3CCc4ccccc4C3)n2)cc1 24193271 BETGISFHOCTYMF-UHFFFAOYSA-N 319.408 3.857 0 40 DHAB Cc1ccc(CSCCNC(=O)c2cccc(F)c2)cc1 25689241 AKYHFKMQYPFKKE-UHFFFAOYSA-N 303.402 3.797 0 40 DHAB Cc1ccc(N2CCCN=C2NC(=S)c2ccccc2)cc1 28527197 AFHPSWHLAVWGIL-UHFFFAOYSA-N 309.438 3.526 0 40 DHAB CCOc1cccc(CNC(=O)CSc2ccc(C)cc2)c1 30847507 CEHKYBYMVLCCHB-UHFFFAOYSA-N 315.438 3.802 0 40 DHAB Cc1c(C(=O)NCCOc2ccccc2)oc2c(F)cccc12 32719048 JKMFDQXSIUEPNA-UHFFFAOYSA-N 313.328 3.689 0 40 DHAB CC(=O)Nc1cccc(Nc2nnc(SCC(C)C)s2)c1 32778989 FNJKPRRNMGWFOU-UHFFFAOYSA-N 322.459 3.988 0 40 DHAB CCCOc1ccccc1NC(=O)[C@H]1CC(c2ccccc2)=NO1 33155766 NSONBLRCSDCDBK-GOSISDBHSA-N 324.380 3.607 0 40 DHAB COc1ccccc1NC(=O)c1c(C)noc1-c1ccccc1 35671409 IHBKXCHGGYVNHZ-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC(C)C)c12 36357693 NGWXIZVWPGDSGB-UHFFFAOYSA-N 309.369 3.584 0 40 DHAB O=C(c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 36940349 DDXQMSVDGCHOKN-UHFFFAOYSA-N 309.148 3.996 0 40 DHAB C[C@@H](OC(=O)c1ccc(F)cc1)C(=O)c1cccc(Cl)c1 41125356 UAKOZIIYKNPMIY-SNVBAGLBSA-N 306.720 3.907 0 40 DHAB CCOc1ccc2nc(SCc3noc(C4CC4)n3)[nH]c2c1 52888412 KDXCMULYCKIGTD-UHFFFAOYSA-N 316.386 3.514 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1ccc(OC)cc1 53521395 SJAPJLVUUOSHKD-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB Cc1oc(-c2ccccc2)nc1Cc1nc2ccsc2c(=O)[nH]1 53847892 HTVXUGDXMSFSNP-UHFFFAOYSA-N 323.377 3.539 0 40 DHAB O=C(CCC(=O)c1cccs1)N[C@@H]1CCc2cc(F)ccc21 55655348 IYGSWGHVSCZJTD-CQSZACIVSA-N 317.385 3.654 0 40 DHAB CCOc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1 55675097 GXYYJDPAKIOIFT-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB Cc1nc(C)c([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CC2)s1 56023529 LXAVJXUVRRMMLF-LLVKDONJSA-N 318.417 3.808 0 40 DHAB CC[C@@H](C)Sc1ccc(NC(=O)Cn2cccn2)c(C)c1 58327019 WQTDSPLANCQAKL-CYBMUJFWSA-N 303.431 3.721 0 40 DHAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccnc1 69437305 JLBNUDMVYFIMAZ-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB Cc1cccnc1NC(=O)c1c(C)oc(C)c1Br 71804201 LSKJZABPWVRVLG-UHFFFAOYSA-N 309.163 3.615 0 40 DHAB O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1C[C@@H]1c1cccnc1 78151069 ZJGXJLGGMVELQN-VBSBHUPXSA-N 320.436 3.713 0 40 DHAB C[C@@H](c1ccc(F)cc1F)N1CC[C@H](Oc2ccccn2)C1 84651669 VBQICRSCMJRHQC-JSGCOSHPSA-N 304.340 3.574 0 40 DHAB C[C@@H](CCc1cccc(F)c1)NCc1ccc([S@](C)=O)cc1 85324799 HXWZHCWGBBQQFJ-RCDICMHDSA-N 319.445 3.674 0 40 DHAB Cc1c(F)cc2c(C)ccnc2c1I 85399625 HEDOCGOZBZNWND-UHFFFAOYSA-N 301.102 3.595 0 40 DHAB COc1cc(C(=O)c2ccc(Cl)cc2C)cc(OC)c1OC 95916480 PQZZKFJTPAHHSX-UHFFFAOYSA-N 320.772 3.905 0 40 DHAB CC(C)COC1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 96159314 FIMBKUCWSIOACC-UHFFFAOYSA-N 319.420 3.883 0 40 DHAB NC1=Cc2ccccc2CN1c1ccc(Br)cc1 103257895 ZISWASVDHPPXNT-UHFFFAOYSA-N 301.187 3.726 0 40 DHAB CC(C)(C)OC(=O)Nc1ccccc1[C@H](O)c1ccncc1 145539708 YXEXJROVBFAKQS-OAHLLOKOSA-N 300.358 3.510 0 40 DHAB C[C@@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1ccccn1 185505836 AWHPOJNSSYPZRM-MFKMUULPSA-N 315.339 3.563 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1C 225599752 SLYWFDPWMVRQBP-MRXNPFEDSA-N 321.417 3.872 0 40 DHAB O=C(c1ccc(Br)s1)C(F)(F)C(F)(F)F 236200844 XFHFPOSMSLVLDS-UHFFFAOYSA-N 309.053 3.891 0 40 DHAB CCCCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O 409209954 ITHRGIHVFQMVBI-KAMYIIQDSA-N 305.399 3.922 0 40 DHAB CS[C@H](C)Cc1nc(Cc2nsc3ccccc23)no1 585120212 AAZABZPZIUCNGM-SECBINFHSA-N 305.428 3.564 0 40 DHAB Cc1cc(C)c(NC(=O)c2ccc3nc(C4CC4)cn3n2)c(C)c1 1888901226 BBRYKZRWBRBAPU-UHFFFAOYSA-N 320.396 3.784 0 40 DHAB Cc1ccc2[nH]c(SCC(=O)OCc3ccccc3)nc2c1 60887 JWLGRNUSCATMKN-UHFFFAOYSA-N 312.394 3.707 0 40 DHAB O=C(Nc1ccccc1C(F)(F)F)c1ccc2nsnc2c1 186212 KRTWNHUXYFWXSO-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB COc1ccc(C=O)cc1CN1CCCC[C@H]1c1cccnc1 485486 JFLRQHFNVMTJEA-SFHVURJKSA-N 310.397 3.630 0 40 DHAB biogenic CCc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1 1000842 GZNHFONBYGVGGR-UHFFFAOYSA-N 323.396 3.956 0 40 DHAB COc1cccc(C(=O)CCCCC2OCC(C)(C)CO2)c1 2518067 OUFJUIJNBITYOC-UHFFFAOYSA-N 306.402 3.837 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1 2627108 DHOFXKDQSOOIHQ-JTQLQIEISA-N 315.760 3.622 0 40 DHAB COc1ccc(-c2nn(CNc3ccccc3)c(=S)o2)cc1 3095130 SBMKQMPIUOHQJG-UHFFFAOYSA-N 313.382 3.951 0 40 DHAB COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)OC(=O)C2 3164267 NQAHVVBTVWYTED-KRWDZBQOSA-N 318.756 3.546 0 40 DHAB Sc1nc(C2CC2)n(-c2ccnc3cc(Cl)ccc23)n1 3305952 XOKXCTPEPOALKY-UHFFFAOYSA-N 302.790 3.635 0 40 DHAB COc1ccccc1CNC(=O)c1ccccc1C(F)(F)F 3341089 CZCZHGUXCRHVRI-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB Cc1nnc(NC(=O)c2ccccc2Cc2ccccc2)s1 3458971 YZCLTXQKHLLPIF-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 3611738 XMGQHOHEJSIJLJ-UHFFFAOYSA-N 321.735 3.699 0 40 DHAB O=C(CSc1nc2ccc(Cl)cc2o1)Nc1ccccn1 4748971 CTVAWAFCGNXHIZ-UHFFFAOYSA-N 319.773 3.607 0 40 DHAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 5119024 VNHXNFVMCUUUDV-SNVBAGLBSA-N 322.767 3.927 0 40 DHAB COc1ccccc1-c1ccc(=O)n(Cc2cc(C)ccc2C)n1 5397082 IPWVDSBWTDMDNI-UHFFFAOYSA-N 320.392 3.584 0 40 DHAB C[C@@H](c1ncc(C(F)(F)F)cc1Cl)c1n[nH]c(=S)n1C 5720732 IVJHUNBSVMNNOX-YFKPBYRVSA-N 322.743 3.697 0 40 DHAB Cc1cccc(C(=O)/N=c2/sc3cc(C)cc(C)c3n2C)c1 6207000 MHIPDRQMKRZZMG-VHEBQXMUSA-N 310.422 3.906 0 40 DHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 6328635 NYNHZOFZAMITQY-RYUDHWBXSA-N 314.168 3.599 0 40 DHAB CCCc1nnc2sc(-c3ccc(Br)cc3)nn12 6669718 UOLFOCYPHLVCBS-UHFFFAOYSA-N 323.219 3.568 0 40 DHAB CC1(C)CC(=O)c2ccc(OCCCN3CCCCC3)cc2O1 6782443 TXWXBHKULLNGLG-UHFFFAOYSA-N 317.429 3.685 0 40 DHAB O=C(Nc1cccc(Cl)c1)n1nnc2cc(Cl)ccc21 6925982 IBBUOZWDUDHVJE-UHFFFAOYSA-N 307.140 3.818 0 40 DHAB Cc1cc(=O)oc2c(C)c(OC(=O)c3ccc(F)cc3)ccc12 7671309 BAZKGQGXJAELQF-UHFFFAOYSA-N 312.296 3.768 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1F 7947007 NAQYECNGVDFJCB-SFHVURJKSA-N 324.355 3.728 0 40 DHAB O=C(OCc1csc(-c2ccccn2)n1)c1cccs1 12260471 MKUXLUXJHQLYOR-UHFFFAOYSA-N 302.380 3.624 0 40 DHAB COC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 13796117 JNUVVNXDJJATHM-UHFFFAOYSA-N 320.801 3.936 0 40 DHAB Cc1cc(NC(=O)c2ccco2)n(-c2nc3ccccc3s2)n1 16850997 ZTACEGWIDFQWRK-UHFFFAOYSA-N 324.365 3.636 0 40 DHAB CC(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1 18029412 WDVVDXFRUNTJPR-UHFFFAOYSA-N 304.349 3.932 0 40 DHAB O=c1[nH]c(CSc2ccccc2)nc2sc3c(c12)CCC3 20281243 OSPSRHVCWYNISB-UHFFFAOYSA-N 314.435 3.766 0 40 DHAB O=S(=O)(NCC1CCCCC1)c1ccccc1C(F)(F)F 23075122 GUPHXRIYDNYNBD-UHFFFAOYSA-N 321.364 3.564 0 40 DHAB CN(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1F 24897449 KTHRXVYFCSXZBN-UHFFFAOYSA-N 322.330 3.565 0 40 DHAB Nc1nc(CSC2CCCC2)nc(Nc2ccc(F)cc2)n1 26245476 GQQXFJABJGTPJB-UHFFFAOYSA-N 319.409 3.512 0 40 DHAB CN(Cc1ccco1)C(=O)c1ccc(OCc2ccncc2)cc1 31459223 PVRPPVIPOWJOES-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB O=C(Cc1ccc2c(c1)CCCC2)N[C@@H]1CCc2ccccc21 32843567 RMUNHNPJMZKGLX-HXUWFJFHSA-N 305.421 3.912 0 40 DHAB Cc1ccc(C(=O)Sc2nnc(Cc3ccccc3)o2)cc1 33611896 XJJZXKWIWUAIKV-UHFFFAOYSA-N 310.378 3.901 0 40 DHAB Cc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 35312209 NTCNEIRCJIHDIA-UHFFFAOYSA-N 307.382 3.502 0 40 DHAB O=C(O)c1ccc2nc(-c3ccc(Br)cc3)oc2c1 38237375 KYKKFDGXAZKZKN-UHFFFAOYSA-N 318.126 3.956 0 40 DHAB CCOc1ccccc1CCC(=O)N(C)Cc1cccs1 39977625 PQYJAXGBLWFWKN-UHFFFAOYSA-N 303.427 3.738 0 40 DHAB Cc1nc2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2nc1C 40015966 ZDWITFHUGBZVJQ-KRWDZBQOSA-N 317.392 3.664 0 40 DHAB O=C(c1cccc(C2OCCO2)c1)c1ccccc1C(F)(F)F 43212570 RJFAWJUYLAUIDO-UHFFFAOYSA-N 322.282 3.982 0 40 DHAB NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 45887380 BZESXQWHUYJUCO-UHFFFAOYSA-N 303.774 3.804 0 40 DHAB O=C(Cc1ccc(Cl)cc1Cl)NCCc1ccsc1 46644875 QMSMQNWHXRVKQC-UHFFFAOYSA-N 314.237 3.956 0 40 DHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC[C@H](C)C1 48256140 MGACOMNSTJGYMC-ZDUSSCGKSA-N 317.433 3.853 0 40 DHAB CC(=O)Nc1nc(CN(C)c2cccc3ccccc23)cs1 55059428 UZIQZKHNUXKDBJ-UHFFFAOYSA-N 311.410 3.891 0 40 DHAB CC[C@@H](Sc1ccccc1OC)C(=O)Nc1cc(C)on1 58249549 HHJYTNUGKJEEEE-GFCCVEGCSA-N 306.387 3.501 0 40 DHAB CCc1nc(CNCc2cccc(NC(=O)C(C)C)c2)cs1 67185390 XQJHWWKZGMPTBF-UHFFFAOYSA-N 317.458 3.590 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 68237250 MSOCYLCMSPAEGT-LNSITVRQSA-N 324.852 3.996 0 40 DHAB O=C(c1cc(F)ccc1F)C1CCN(Cc2cscn2)CC1 69441728 RKQTWCVZLPTNNK-UHFFFAOYSA-N 322.380 3.516 0 40 DHAB CC(C)c1nc2c(n1C)CCN(Cc1cccc3cccnc13)C2 69621900 XAJFGLPUOTWOBA-UHFFFAOYSA-N 320.440 3.650 0 40 DHAB CC(=O)Nc1ccc(OCc2nc(-c3cccc(C)c3)no2)cc1 69702008 MKRWBCFMPWSPRZ-UHFFFAOYSA-N 323.352 3.582 0 40 DHAB Fc1cc2cccc(Br)c2nc1Br 71255609 UACCTSNIBRCJNH-UHFFFAOYSA-N 304.944 3.899 0 40 DHAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc(Cl)nc1 71793800 POOZIHZWXCTMBB-UHFFFAOYSA-N 323.101 3.617 0 40 DHAB Cc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 72194163 MNYKXVMLBQMOEE-UHFFFAOYSA-N 303.402 3.825 0 40 DHAB in-vitro CCn1cc(NC(=O)c2ccc(Oc3ccc(C)cc3)o2)cn1 72264849 AILFNRUILONVCH-UHFFFAOYSA-N 311.341 3.849 0 40 DHAB COc1cc(Cl)ccc1C(=O)N[C@@H](C)c1ccc(F)cc1 72331758 HSKHZXQEBXEGHN-JTQLQIEISA-N 307.752 3.979 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC[C@@H]1C1CCCC1 84026979 GPSFMGHTWNCPKN-QGZVFWFLSA-N 324.424 3.840 0 40 DHAB Cc1cc([C@@H](C)NC(=O)[C@@H](c2ccccc2)n2cccn2)c(C)o1 84081602 QSIXXMMLRYMUKO-RDTXWAMCSA-N 323.396 3.560 0 40 DHAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(OCC(C)C)CC2)s1 84205327 RVDZNEUFOFMVHU-HZPDHXFCSA-N 321.486 3.824 0 40 DHAB O=C(C[C@H](O)c1ccccc1)N[C@@H]1CCc2c(Cl)cccc21 91172529 GHWUJDMZUVXOAH-SJORKVTESA-N 315.800 3.567 0 40 DHAB COCCCn1c(CCCCC(=O)O)nc2cccc(Cl)c21 95095651 XYYVDBZISQJSIH-UHFFFAOYSA-N 324.808 3.524 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)CS[C@@H](C)c1ccccc1F 95408506 SENFTLLWIXKQFC-NSHDSACASA-N 307.394 3.599 0 40 DHAB CO[C@H](CNC(=O)c1ccccc1Cl)c1ccc(C)s1 96104676 XJTPGPPKMNHEEL-CYBMUJFWSA-N 309.818 3.827 0 40 DHAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cc2ccccc2o1 96935635 VCCQMJLFFFTUJI-XNTDXEJSSA-N 307.280 3.916 0 40 DHAB C[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(-c2cncnc2)cc1 102704726 NGYSJHGMRMSAFA-BDFQZXNOSA-N 319.408 3.533 0 40 DHAB CCOC(=O)Cc1csc(Nc2cccc(Cl)c2C)n1 105999849 MEQCGNCZAJRPRN-UHFFFAOYSA-N 310.806 3.954 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 216256673 KXACRYAAIBLLHZ-LSDHHAIUSA-N 309.409 3.994 0 40 DHAB COc1ccc(/C=C/C(=O)O)cc1OCc1cccc(F)c1 216897498 UFSVIXIKYFDIRO-SOFGYWHQSA-N 302.301 3.511 0 40 DHAB Cc1ccc(CC(=O)N[C@@H](C)COc2ccccc2C)c(C)c1 224900585 NWTYVTWFCGNHPH-KRWDZBQOSA-N 311.425 3.738 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1 226037039 NEUQZMVUSAMYPC-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 245188065 ZYTZWQFHAOSDHY-QGZVFWFLSA-N 311.337 3.543 0 40 DHAB c1ccc(CO[C@H]2[C@H]3CC[C@H]2N(CC2CCCCC2)C3)nc1 248087312 FLIQGYJRFSHRFU-UHOSZYNNSA-N 300.446 3.641 0 40 DHAB Cc1cn(C)c([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 257210992 BXAMKAIQOGAYRC-GOSISDBHSA-N 306.413 3.614 0 40 DHAB O=C1S[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 409145951 SSHFKSFFAYNFBE-HNNXBMFYSA-N 315.369 3.632 0 40 DHAB Cc1s/c(=N\C(=O)c2cccs2)n(C)c1-c1ccccc1 409198041 VLGSCQYSEGLUIJ-MSUUIHNZSA-N 314.435 3.865 0 40 DHAB C[C@H](C(=O)O)c1cccc(NC(=O)[C@H]2CCc3ccccc3C2)c1 581731147 MDPHTWZUHMZEFS-GUYCJALGSA-N 323.392 3.618 0 40 DHAB O=C(NCCc1ccco1)[C@H](c1ccncc1)C1CCCCC1 585090070 JSGFEMKQWSHWGC-SFHVURJKSA-N 312.413 3.697 0 40 DHAB O=C(c1cc2ccccc2[nH]1)N1CCC(Cc2ccncc2)CC1 585180242 FFKWPRMVWWOFFS-UHFFFAOYSA-N 319.408 3.658 0 40 DHAB CC(C)c1cc(N2C[C@H](C)O[C@@H](C)C2)nc2c(O)cccc12 685938591 WUOASZHNGDJSBY-STQMWFEESA-N 300.402 3.677 0 40 DHAB CC1(C)C(=O)O[C@H](c2ccc(F)cc2)C2(CCCCC2)C1=O 53649 GYPSTFUVVSHSCM-CQSZACIVSA-N 304.361 3.969 0 40 DHAB CC(C)[C@H](c1nnnn1C1CCCC1)N1CCc2ccccc21 417493 VEOTWIPGNJIFSF-QGZVFWFLSA-N 311.433 3.548 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 2650933 HJRMWTRNRNZYTF-UHFFFAOYSA-N 309.152 3.843 0 40 DHAB Cc1ccccc1CN(C)CC(=O)N[C@@H](C)CCc1ccccc1 3420059 QUTGYUVIYIAMNX-SFHVURJKSA-N 324.468 3.564 0 40 DHAB C[C@@]12C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4349017 KEFKVEFAVWWNIX-RHMKTGNDSA-N 322.191 3.695 0 40 DHAB CCOC(=O)c1ccsc1NC(=O)CSc1ccccc1 4496673 XZLVUQNOGFYIJR-UHFFFAOYSA-N 321.423 3.656 0 40 DHAB COc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 5381030 GKPVNKZCDHLXCN-UHFFFAOYSA-N 309.394 3.840 0 40 DHAB Cc1cc(NC(=O)C2CCCC2)ccc1N1CCCCC1=O 5441342 JVGAZUFGPLCZSZ-UHFFFAOYSA-N 300.402 3.641 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CCO 6862932 CWHFZCMDAMLBCY-NSHDSACASA-N 317.216 3.762 0 40 DHAB COC(=O)c1ccc(OC(=O)C2(c3ccccc3)CCC2)cc1 8113558 DXMMZGANGLTCQK-UHFFFAOYSA-N 310.349 3.501 0 40 DHAB O=C(NCc1ccc(Cl)cc1)N1CCc2ccccc2C1 8394930 SVGYYIAECRSSDG-UHFFFAOYSA-N 300.789 3.608 0 40 DHAB CCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 8586755 BEARDGLEIMVFCG-NSHDSACASA-N 316.426 3.919 0 40 DHAB O=C(c1ccccc1)N1CCCC[C@@H]1CCN1CCCCC1 8613172 RCDIVBQDGNALGO-GOSISDBHSA-N 300.446 3.557 0 40 DHAB CCOc1ccc(OCC)c(NC(=O)c2ccc(Cl)nc2)c1 9050256 HKXJQYGVSGDYHZ-UHFFFAOYSA-N 320.776 3.785 0 40 DHAB CC[C@H](C)C(=O)Nc1nnc(CCCOc2ccccc2)s1 9196797 KTZMSZADZXWYIV-LBPRGKRZSA-N 319.430 3.534 0 40 DHAB CC(C)COC(=O)c1nccnc1-c1nc2ccccc2s1 11005470 PSJPUNBNFOTZAE-UHFFFAOYSA-N 313.382 3.566 0 40 DHAB CCS(=O)(=O)Nc1cc2c3c(oc2cc1C)CC[C@H](C)C3 11635043 MKSSUWNNBJTIIW-JTQLQIEISA-N 307.415 3.628 0 40 DHAB O=C(OCc1cc(-c2cccs2)on1)c1cccc(F)c1 12236713 YPLAEEVIVVQHPH-UHFFFAOYSA-N 303.314 3.899 0 40 DHAB O=C(NCCCn1ccc2ccccc21)c1cc(F)ccc1F 12585583 OGIWYXYRFMCHRI-UHFFFAOYSA-N 314.335 3.740 0 40 DHAB O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCc2ccccc21 12910687 ADYZNXISRVOQJN-OAHLLOKOSA-N 319.763 3.662 0 40 DHAB O=C(/C=C/c1cccs1)Nc1cc2c(cc1Cl)OCCO2 14015471 BAPHVRWIXMUGIB-ONEGZZNKSA-N 321.785 3.825 0 40 DHAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1Cl)c1cccs1 14093207 NBKUMFHBYZEBNH-ZDUSSCGKSA-N 322.817 3.608 0 40 DHAB COc1ccccc1CNC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 16227317 SGIJDGOUBUOBKR-GPJUQDOMSA-N 311.381 3.741 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 17908522 OZSHJGHIOWBUOI-NSHDSACASA-N 316.788 3.789 0 40 DHAB Fc1ccc([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 25360071 ZRLCRJGNMTZALI-CQSZACIVSA-N 313.332 3.806 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H](C)c1cccc(Br)c1 27740215 DBCWZXQSJLSLLR-QMMMGPOBSA-N 323.190 3.545 0 40 DHAB O=C(NCCc1cccc2cccnc12)c1cc2c(s1)CCC2 29452931 WNVUETZHCVCLFV-UHFFFAOYSA-N 322.433 3.758 0 40 DHAB C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N(C)C)cc1 30009388 DWLRZAIBRMRWJK-LBPRGKRZSA-N 317.820 3.845 0 40 DHAB Cc1nc2scc(-c3ccc(Br)cc3)n2c1C=O 31975293 NAUHIUPGNAWBBN-UHFFFAOYSA-N 321.199 3.946 0 40 DHAB Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCCc2ccccc21 32481296 VGETYZZCGOWIBP-GOSISDBHSA-N 312.413 3.760 0 40 DHAB CCc1ccc2ncnc(NCc3ccc(OC)c(OC)c3)c2c1 32541201 GQOOSCJREIHDRE-UHFFFAOYSA-N 323.396 3.822 0 40 DHAB COc1cccc(NC(=S)Nc2ccc(-c3c[nH]cn3)cc2)c1 32745071 LWIAJXXUZHFMMN-UHFFFAOYSA-N 324.409 3.894 0 40 DHAB CC(C)c1cccc(NC(=O)c2cccc(C[S@@](C)=O)c2)c1 32865806 NSCIKEISUUSUIY-QFIPXVFZSA-N 315.438 3.941 0 40 DHAB Cc1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1 32914035 QZLVVDASKODVFR-UHFFFAOYSA-N 311.385 3.777 0 40 DHAB CC[C@@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 40525123 LOEKEJXTRXVMBM-HUUCEWRRSA-N 312.413 3.884 0 40 DHAB CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 44790131 GYPZEYWXRZTKMK-HOCLYGCPSA-N 322.880 3.857 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1cc(-c2ccccc2)on1 53177098 LTVVTPKDQVZIMF-UHFFFAOYSA-N 311.366 3.539 0 40 DHAB Cc1ccc(-c2n[nH]c(SCc3nc(C)c(C)o3)n2)cc1 63532423 MJQRUVCHUFBPRE-UHFFFAOYSA-N 300.387 3.677 0 40 DHAB Cc1ccc(N2CCN(CC(=O)c3ccc(C)cc3C)CC2)cc1 67206487 KKYZTPDOIGXCLC-UHFFFAOYSA-N 322.452 3.617 0 40 DHAB Cc1c([C@@H](C)NCc2ccccn2)cnn1-c1ccc(F)cc1 67504635 KWKVMKBNYKIMRY-CYBMUJFWSA-N 310.376 3.566 0 40 DHAB O=[S@@](Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)on1 71801191 OMSOWVMREHXZBF-JOCHJYFZSA-N 315.369 3.930 0 40 DHAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c(C)oc(C)c1C 72234035 MFEPBPCANLYJRB-OAHLLOKOSA-N 315.417 3.533 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1Cl 84183003 SHFNSQHTHHWPEC-BBRMVZONSA-N 321.852 3.596 0 40 DHAB Cc1ccsc1CNc1ccccc1CN1CCC(O)CC1 84257570 VUKPBQRGYSHVQS-UHFFFAOYSA-N 316.470 3.625 0 40 DHAB Cc1cc(C[S@@](=O)Cc2csc(-c3ccsc3)n2)no1 89604992 XORYQFIGLAJVCI-FQEVSTJZSA-N 324.452 3.617 0 40 DHAB C[C@H](N[C@@H]1COc2ccccc2C1)c1occc1Br 95967517 SPGGGQJUHNQYGV-JQWIXIFHSA-N 322.202 3.696 0 40 DHAB CCC(=O)N1CC[C@H](N[C@H](C)c2cc3cc(Cl)ccc3o2)C1 95988002 YVEDMSPDDWZJFT-RISCZKNCSA-N 320.820 3.748 0 40 DHAB C[C@@H](CNC(=O)N(C)C[C@H](C)c1nccs1)c1cccs1 96009954 LVGXIDFNMZOWIS-RYUDHWBXSA-N 323.487 3.753 0 40 DHAB Cc1ccc2c(c1)[C@@H](NCc1ccc(C3OCCO3)cc1)CC2 97016944 XOKKZFZWXHSRJY-IBGZPJMESA-N 309.409 3.818 0 40 DHAB Cc1nc(-c2cccc(N[C@H](C)CSCC(C)C)c2)n[nH]1 97038178 ZUQMFCRLNYMHQA-GFCCVEGCSA-N 304.463 3.970 0 40 DHAB C[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccs1 97234408 GCWAVGBKHZGBPO-TZMCWYRMSA-N 318.446 3.512 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 100625697 FARHPXZIPDYPBO-DSJMHWKBSA-N 321.848 3.968 0 40 DHAB CC(C)(C)c1nc(C(C)(C)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)no1 106530748 PZYUFGZTXFDACS-AVGNSLFASA-N 319.449 3.545 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@]2(c3ccc(Cl)cc3)O[C@H]2C1 114319808 IEKJNOVFRINURO-BBRMVZONSA-N 309.793 3.575 0 40 DHAB CN(CCc1ccccc1Br)C(=O)OC(C)(C)C 118259167 CKMJMLQAJILELX-UHFFFAOYSA-N 314.223 3.859 0 40 DHAB Cc1ccc(OCC(=O)n2c(C)c(C(=O)O)c3ccccc32)cc1 216721442 JYEFJWVVJJTRFY-UHFFFAOYSA-N 323.348 3.676 0 40 DHAB NC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225432111 ALHCOIARGKCZGR-UHFFFAOYSA-N 319.364 3.904 0 40 DHAB CC(C)NC(=O)c1cc(N)ccc1Nc1ccccc1Cl 225469887 UDCKEGRHESWMQY-UHFFFAOYSA-N 303.793 3.804 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(F)c1 225635488 OHWRLFAKZXKQSX-CYBMUJFWSA-N 318.417 3.888 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)NC(C)(C)Cc1ccccc1 225721424 PEVBVPTVQRMOJO-INIZCTEOSA-N 311.425 3.900 0 40 DHAB C/C(O)=C1/C(=O)N[C@@]23CCCC[C@H]2[C@H]1c1cc(Cl)ccc1O3 229933114 GPUFUHHFUPADPT-AQGFXZPWSA-N 319.788 3.664 0 40 DHAB C[C@H]1CN1[P@](=O)(Oc1cccc2ccccc12)N1C[C@H]1C 301054493 VHFHHVZUPGCQJK-CGPAKSPXSA-N 302.314 3.735 0 40 DHAB COc1cc(-c2nnc([C@H](C)OC)o2)ccc1OCCC(C)C 521393845 MRHCTVJIBCCIIZ-LBPRGKRZSA-N 320.389 3.878 0 40 DHAB COC(=O)c1cc(-c2ccc(Cl)c(C(F)(F)F)c2)on1 1857794019 VVLZPOJUVRCMAO-UHFFFAOYSA-N 305.639 3.800 0 40 DHAB CCc1cc(C(=O)Cc2ccc(OC(C)C)cc2)c(O)cc1O 138835 XWEBYUISRDUKOD-UHFFFAOYSA-N 314.381 3.873 0 40 DHAB biogenic O=C(COC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 298336 PJXJHMGCFVERET-UHFFFAOYSA-N 306.317 3.986 0 40 DHAB CCc1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 506647 BYCWJQLEFLYVRT-KRWDZBQOSA-N 313.353 3.547 0 40 DHAB CCN1C(=O)S/C(=C\c2cccc(C(F)(F)F)c2)C1=O 1134979 PAUOXUWKRPHKNM-YFHOEESVSA-N 301.289 3.762 0 40 DHAB OCCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 2178085 GXEKCEZPJKBONE-UHFFFAOYSA-N 319.832 3.781 0 40 DHAB COc1cc(C=O)ccc1OCCCC(=O)c1ccc(F)cc1 3220772 QVAZPKTUTREDDH-UHFFFAOYSA-N 316.328 3.689 0 40 DHAB Cc1cccc(C)c1NC(=O)CSc1ncnc2ccccc12 3244311 HHLVRAXHQWFIKF-UHFFFAOYSA-N 323.421 3.977 0 40 DHAB Cc1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1 3256870 SDIDMHMOCHRZEW-UHFFFAOYSA-N 312.394 3.545 0 40 DHAB CC(=O)C(Cc1cnc(Cl)s1)Cc1cnc(Cl)s1 4060570 GHRYGWZLJCHAFQ-UHFFFAOYSA-N 321.254 3.897 0 40 DHAB CC(C)Oc1ccc(Oc2nc3ccccc3n3cnnc23)cc1 5423233 NOSDFSVKGFZGLN-UHFFFAOYSA-N 320.352 3.857 0 40 DHAB Cc1cc(C)nc(NC(=N)Sc2nc3ccccc3s2)n1 5926324 MFUXGJABEYGJGT-UHFFFAOYSA-N 315.427 3.842 0 40 DHAB CNc1ccccc1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 6363796 GLXMAGXILJIAQO-GFCCVEGCSA-N 322.364 3.638 0 40 DHAB O=C(OCc1ncc(-c2ccccc2)o1)c1n[nH]c2ccccc12 6370850 DPQIRTWMDOPHIF-UHFFFAOYSA-N 319.320 3.575 0 40 DHAB COc1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1 6470255 RFXFULRFWYEQCS-UHFFFAOYSA-N 308.366 3.528 0 40 DHAB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1O 6948467 BXPFNLBNCJUOSE-SOFGYWHQSA-N 321.332 3.818 0 40 DHAB CC[C@@H](C)NC[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C 7015570 SLEVKNBKEAGVQC-ZIAGYGMSSA-N 313.869 3.900 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2CCCC2)cc1 7383402 VHIMYYKVHIZPJX-UHFFFAOYSA-N 324.380 3.546 0 40 DHAB Cc1cccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)c1O 7814476 KFQWUVLRUHLMHP-GFCCVEGCSA-N 324.336 3.669 0 40 DHAB Cc1cc(OCC(=O)OCCOc2ccccc2)ccc1Cl 8276850 SNBWKHNEEZNDJO-UHFFFAOYSA-N 320.772 3.649 0 40 DHAB Cc1ccc(C)c(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)c1 8987271 JVCJIMSRWKENLB-IBGZPJMESA-N 311.381 3.675 0 40 DHAB Cc1ccccc1[C@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21 9546547 BYYBPZUMDXGJQF-OAHLLOKOSA-N 303.365 3.859 0 40 DHAB c1coc(-c2nnc(SCc3ccc(-n4cccn4)cc3)o2)c1 9871115 ZRUZTJHTPRHDET-UHFFFAOYSA-N 324.365 3.808 0 40 DHAB Cc1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1 12781354 VBPWCTDWDUXLFY-UHFFFAOYSA-N 315.442 3.690 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 12979934 WWFIAXDMGLNXHU-LJQANCHMSA-N 323.440 3.954 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 13012666 GJWVNCAEGZOABK-OLZOCXBDSA-N 301.386 3.590 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)cc1 13096117 HLLANUPYTDGPMN-ZDUSSCGKSA-N 302.805 3.799 0 40 DHAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 14232295 QVMTZGMBBNAOJM-SNVBAGLBSA-N 300.358 3.926 0 40 DHAB Cc1ccc(S(=O)(=O)Oc2ccc(F)cc2Cl)cc1C 16092565 PYBWKXHLTKIYEW-UHFFFAOYSA-N 314.765 3.864 0 40 DHAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(C)c(C)c1C 16780150 PRSMANWZTXJYNC-MRXNPFEDSA-N 317.454 3.960 0 40 DHAB COCCCN(Cc1ccccn1)Cc1ccnc2ccccc12 19593288 DVSUCWNBVTYJJT-UHFFFAOYSA-N 321.424 3.669 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccs2)c1 21204256 RDRWHGAVKVTXQK-AWEZNQCLSA-N 317.410 3.743 0 40 DHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3cn[nH]c3c2)cc1C 25787339 DRWPOUSLHOYPCL-CYBMUJFWSA-N 322.364 3.608 0 40 DHAB CC[C@H](C)n1nccc1NC(=O)COc1ccc(Cl)cc1 27989953 ODHXLUPJVSYFCE-NSHDSACASA-N 307.781 3.525 0 40 DHAB O=C(NC1CC1)c1ccc(COc2cccc3ccccc23)o1 28575525 YPKGSCOSCXKZMX-UHFFFAOYSA-N 307.349 3.904 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccn(-c2ccc(F)cc2)n1 32940482 FPHLYZUEMAZSGJ-ZDUSSCGKSA-N 321.355 3.603 0 40 DHAB O=C(CC[C@@H]1CCCO1)Nc1nc(-c2cccc(F)c2)cs1 40073864 XAOUCXIFVSGSGV-ZDUSSCGKSA-N 320.389 3.847 0 40 DHAB CCCCCN(C(=O)NCc1ccc(C(=O)OC)cc1)C(C)C 40150045 XHWBTIXJQAJGIF-UHFFFAOYSA-N 320.433 3.583 0 40 DHAB Cc1cc(N)cc(C)c1NC(=O)c1cccc(Br)c1 45888794 CRVRPRQVLBYQJR-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB Cc1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n(C)n1 48354852 TXOVCMSBXYYTFQ-UHFFFAOYSA-N 312.200 3.607 0 40 DHAB O=C(NCCCOC1CCCCC1)c1ccc(Cl)cc1F 52568293 PFCSTLDAINNZFE-UHFFFAOYSA-N 313.800 3.948 0 40 DHAB CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 56340428 GEZILMUCKMGPFF-CCEZHUSRSA-N 322.408 3.821 0 40 DHAB CC(C)c1nnc(NC(=O)CS[C@@H](C)c2ccc(F)cc2)o1 58249576 ZTBMTKKIBICTJF-JTQLQIEISA-N 323.393 3.765 0 40 DHAB CCN(CC)[C@H](CNc1nccc(C(F)(F)F)n1)CC(C)C 58666354 PUMAEUMFHMVGEH-LBPRGKRZSA-N 318.387 3.664 0 40 DHAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H](C)c1ccco1 69533367 USALSCISCPVDLZ-AWEZNQCLSA-N 311.385 3.965 0 40 DHAB Cn1cc([C@@H]2CCCN2Cc2csc(-c3ccccc3)n2)cn1 69740434 XAHUAMLQZNBALL-KRWDZBQOSA-N 324.453 3.881 0 40 DHAB CC(C)CC[C@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 76094290 OQDFAHGWDZCTPX-MQJDWESPSA-N 314.426 3.509 0 40 DHAB O=C(Nc1cccc(NC2CCCC2)c1)c1ncncc1Cl 84374457 UBWZMODDHYPRQN-UHFFFAOYSA-N 316.792 3.737 0 40 DHAB CCOc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1OCC 85385236 MSXJRKLQAKSMMR-UHFFFAOYSA-N 309.369 3.936 0 40 DHAB COC(=O)CN1CCc2ccsc2[C@@H]1c1ccccc1Cl 95921530 KLDKOFAUCQHGNF-HNNXBMFYSA-N 321.829 3.522 0 40 DHAB CC[C@H](NC(=O)CCc1ccncc1)c1cc(F)ccc1F 96419341 HDLHNNYXGGDSAP-INIZCTEOSA-N 304.340 3.560 0 40 DHAB Cc1cccc(Cl)c1NC(=O)N(C)CCCn1ccnc1C 97095237 NHYKPLNMPQZOTK-UHFFFAOYSA-N 320.824 3.707 0 40 DHAB CCCSc1nnc(C)c(/C=C/Nc2ccc(F)cc2)n1 100186000 AKEBCIZZGFGLMC-CMDGGOBGSA-N 304.394 3.904 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc2ncccc2c1 100189208 FVUGIGVESJLLPW-JXFKEZNVSA-N 316.408 3.595 0 40 DHAB COc1cccc([C@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)c1 100990304 PWIQATKTNCPRGM-GOSISDBHSA-N 318.380 3.651 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1cc(C)cc(C)c1 101348392 RHXHSCUGGVRTNN-KRWDZBQOSA-N 306.365 3.525 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc3nccn3c2)o1 173557486 JBYKTJGLPKEMRS-BBRMVZONSA-N 323.396 3.849 0 40 DHAB CCN(Cc1ccccc1NC(=O)Nc1ccsc1)C(C)=O 191161140 SYHHWTGQBSWEME-UHFFFAOYSA-N 317.414 3.761 0 40 DHAB COc1cccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 195550065 FRVURFNKJWXAQL-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB COc1ccc(-c2nnc(-c3cnc(C(C)C)nc3C)o2)cc1 216612665 WDHXBZWJNMZVRI-UHFFFAOYSA-N 310.357 3.634 0 40 DHAB CCOc1cc(C=O)ccc1OCCN1[C@H](C)CCC[C@H]1C 217789626 UWWNHWFBMMLTNM-HUUCEWRRSA-N 305.418 3.540 0 40 DHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 222858242 IHBOCHJAKMDBAL-UONOGXRCSA-N 303.456 3.526 0 40 DHAB CCOc1ccc(NC(=O)[C@](C)(CC)OC)c2ccccc12 225791852 AELASXQTGYEARX-SFHVURJKSA-N 301.386 3.992 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCC[C@@H](C)C1 225855791 BSSFHXIWHZBOMI-CABCVRRESA-N 301.430 3.591 0 40 DHAB C[C@H]1CC[C@@H]1COc1cccc(I)c1 242648749 RFVHRHWKAUGMAG-VHSXEESVSA-N 302.155 3.716 0 40 DHAB c1ccc(-c2ncc(-c3ccncc3)c([C@H]3CCCNC3)n2)cc1 257329680 XKZQCCSTLPSKMK-KRWDZBQOSA-N 316.408 3.673 0 40 DHAB COC(=O)c1ccn2cc(-c3ccc(F)c(Cl)c3)nc2c1 575442421 KSDBRALZXJFOEQ-UHFFFAOYSA-N 304.708 3.580 0 40 DHAB O=C(Cc1ccc(F)c(Cl)c1)N1CCSc2ccncc21 1514557141 RYGYIMRGTFJSQF-UHFFFAOYSA-N 322.792 3.556 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(=C2CCC2)CC1 1775966761 XTBIRIYCWCNTAU-UHFFFAOYSA-N 311.834 3.605 0 40 DHAB c1nc(NCc2ccc(-c3ccoc3)nc2)c2ccsc2n1 2087154454 TYTOWQDUTRTWLC-UHFFFAOYSA-N 308.366 3.958 0 40 DHAB Cc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1 127387 XPVORDOKNBZFBQ-UHFFFAOYSA-N 302.333 3.954 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)c1c[nH]c2ccccc12 201425 OBYHDZWLDGEAMP-UHFFFAOYSA-N 305.786 3.795 0 40 DHAB CC1(C)C(=O)[C@]2(C(=O)Nc3nc4ccccc4s3)CC[C@H]1C2 352926 INCBDDCWMAINBV-BTDLBPIBSA-N 314.410 3.630 0 40 DHAB Cc1ccn(-c2cc(-c3cccs3)cc(-n3ccc(C)n3)n2)n1 384757 YFKNMTKRALCAPE-UHFFFAOYSA-N 321.409 3.798 0 40 DHAB Cc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 426452 VHYXOZSXMHZBGS-UHFFFAOYSA-N 315.380 3.736 0 40 DHAB CCOC(=O)CSc1nc(CC)nc2sc(C)c(C)c12 1372116 LBUIWBDDQHWRNW-UHFFFAOYSA-N 310.444 3.526 0 40 DHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(Cl)cc2)c1 1943751 GYKZSQCKKIKFFT-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c(C)c1 2302883 FAAFGDMIROKGMJ-UHFFFAOYSA-N 324.424 3.682 0 40 DHAB COc1ccc(Oc2cncnc2-c2ccc(OC)cc2O)cc1 2429791 BWWOGHPAKMUEOD-UHFFFAOYSA-N 324.336 3.659 0 40 DHAB C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1ccco1 2664942 IGMDHRDYPWCUHI-JTQLQIEISA-N 318.423 3.686 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 4731393 LFRYJNCJPONBJN-INIZCTEOSA-N 322.408 3.603 0 40 DHAB CCOc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 6554610 ZZHPKRPXAWUQNX-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB O=C1CS[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1 6896388 GSJPJDRUSWNREX-OAHLLOKOSA-N 304.802 3.509 0 40 DHAB Cc1cc2nc(NCCc3ccc(F)cc3)c3ccccc3n2n1 7735839 BIQHLBFBTWIKRZ-UHFFFAOYSA-N 320.371 3.985 0 40 DHAB O=C(Cc1cccc2ccccc12)N(Cc1cccnc1)C1CC1 7909666 DNYPZOVULMWJIX-UHFFFAOYSA-N 316.404 3.969 0 40 DHAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccc[nH]1 7980849 ZUNXYFXOGSPNOQ-UHFFFAOYSA-N 321.332 3.847 0 40 DHAB O=C(Cc1csc(-c2ccsc2)n1)NC1CCCCC1 8007403 GPBROJUTHKXIFJ-UHFFFAOYSA-N 306.456 3.863 0 40 DHAB O=C(COc1ccccc1)Nc1ccccc1OC(F)(F)F 9365459 YHABVDJVSVBNSV-UHFFFAOYSA-N 311.259 3.603 0 40 DHAB COc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)no2)cc1 11914931 ZVFBNHHGQVJUMZ-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB Cc1cnc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cn1 14388915 SXPVSESZYIZGNG-OAHLLOKOSA-N 317.392 3.943 0 40 DHAB COc1cccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)c1 15841930 UEVHUAWALWMCGY-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB Cc1nnc(SCc2cc3c(cc2Cl)OCO3)s1 16363444 RBVVDYMFEPNJMO-UHFFFAOYSA-N 300.792 3.521 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(F)(F)F)C2)cc1 16377717 IFUGPBBKKTUWFO-CHWSQXEVSA-N 314.351 3.596 0 40 DHAB CCOC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(=O)OCC 16682095 HFJDVULWJWVVQD-UHFFFAOYSA-N 317.168 3.503 0 40 DHAB COc1cccc(Nc2nc([C@@H]3CCCNC3)c3ccccn23)c1 19565927 WMNOPXDUVADHSY-CQSZACIVSA-N 322.412 3.554 0 40 DHAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 20450141 BASXEIJSWCKBNZ-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccccc3)cc2)C1 22523701 JVVXVPANSMUZAE-KRWDZBQOSA-N 322.452 3.849 0 40 DHAB COC(=O)[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 24002059 HZBIRLQNCBFRKD-WBVHZDCISA-N 313.422 3.727 0 40 DHAB Cc1cccnc1NC(=O)Cc1nc(-c2cccs2)oc1C 24364589 QNFXPMLYFCQUQZ-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB Cn1ncc2c(NC3CCC(c4ccccc4)CC3)ncnc21 25499110 AHIOGZDNJHFHAK-UHFFFAOYSA-N 307.401 3.502 0 40 DHAB Cc1cc2ccccc2n1CC(=O)OCc1ccc(Cl)nc1 26720343 VVGRRTIOSQCFOJ-UHFFFAOYSA-N 314.772 3.742 0 40 DHAB CCC(CC)C(=O)NC[C@@H](c1cccs1)N1CCCCC1 27664371 VJHLGSWRRHEANZ-HNNXBMFYSA-N 308.491 3.828 0 40 DHAB Cc1cccc(Cn2ccc(NC(=O)CCc3ccccc3)n2)c1 27916306 DPKJGAJTQNASAW-UHFFFAOYSA-N 319.408 3.811 0 40 DHAB CSc1nnc(NC(=O)Cc2ccc(C(C)C)cc2)s1 27985976 QRYKZZVXSBWIEV-UHFFFAOYSA-N 307.444 3.565 0 40 DHAB O=C(Nc1ccc2c(c1)CCO2)c1nc(Cl)ccc1Cl 31375192 DCRUHPHFYLYWNZ-UHFFFAOYSA-N 309.152 3.576 0 40 DHAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N 32214351 LYGZYNHMZOPJKV-UHFFFAOYSA-N 310.275 3.549 0 40 DHAB COc1ccc(CN2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 35446542 TVPTVJLEVWLYNH-INIZCTEOSA-N 321.424 3.869 0 40 DHAB biogenic,in-vitro Cc1cc2ccccc2n1CC(=O)NCc1cc(F)cc(F)c1 36747885 PDHSEXKYVCQTDU-UHFFFAOYSA-N 314.335 3.544 0 40 DHAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(C)c1 42629908 LTQZPXLVXJAVGI-UHFFFAOYSA-N 310.397 3.729 0 40 DHAB O=C(NCc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1 43756120 SVFDMSYCUNLXOX-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB Cc1ccc(-c2nc(CN(C[C@H]3CCOC3)C3CC3)cs2)o1 44975369 HJEMSAFUUXKMJG-CYBMUJFWSA-N 318.442 3.712 0 40 DHAB C[C@H](CCc1ccco1)NC(=O)N(C)Cc1cccc(F)c1 45035742 SWQFUNBOJYWBEH-CYBMUJFWSA-N 304.365 3.581 0 40 DHAB Cc1cccc(C(=O)Nc2c(C)cc(NC(N)=S)cc2C)c1 45890864 STMSGXYTFGWUKR-UHFFFAOYSA-N 313.426 3.520 0 40 DHAB CN(C(=O)CN1CCC[C@@H]1CCc1ccccc1)c1ccccc1 48324387 RZMABAZELVXQMN-HXUWFJFHSA-N 322.452 3.747 0 40 DHAB O=C(Nc1ccccc1-c1ccccc1)c1cn2cccnc2n1 56254226 GFNYSLXNIBHXHB-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB c1cncc([C@@H]2N[C@@H]3c4c(ccc5ccccc45)OC[C@H]3CO2)c1 63110705 CVTVSDQCGJDMLX-RYGJVYDSSA-N 318.376 3.603 0 40 DHAB C[C@H](CCNC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccccc1 69668322 XILOBYQJJLFRCN-RDTXWAMCSA-N 323.392 3.598 0 40 DHAB Cc1ccc(OCCCC(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 71818738 BINKTMTZGIKVME-SFHVURJKSA-N 312.413 3.846 0 40 DHAB COc1ccc(C)c2c(Nc3ccccc3C(=O)O)ccnc12 78401537 LCTUOIYQRQLABV-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB CCc1noc(CC)c1CNC(=O)c1oc2ccccc2c1C 79070159 CPGILTSFMSJJOR-UHFFFAOYSA-N 312.369 3.784 0 40 DHAB Cc1ccnc(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 79440832 TYMLVMCQAMQQKW-CYBMUJFWSA-N 308.447 3.739 0 40 DHAB O=C(c1cnn(-c2ccccc2)c1)N(CC1CC1)c1ccccc1 84243198 FQTYQHFLVCMYPN-UHFFFAOYSA-N 317.392 3.929 0 40 DHAB CC(C)C(=O)Nc1cccc(NCCCOCC(F)(F)F)c1 86198893 CECUBCYUNLJXFV-UHFFFAOYSA-N 318.339 3.662 0 40 DHAB CC(=O)N(C)c1cccc(NC2CCN(c3ccccc3)CC2)c1 95983196 MUWIOJJOLDQVPJ-UHFFFAOYSA-N 323.440 3.750 0 40 DHAB Cc1nc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)oc1C 95985847 SVEOUDOGLXPINF-WBVHZDCISA-N 300.402 3.549 0 40 DHAB Cc1ccc(-c2ocnc2C(=O)N[C@H](C)c2cccnc2)cc1 96426153 NFBOBQFLDSWERF-CYBMUJFWSA-N 307.353 3.536 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccccc1 102680416 VGVPAIMZXLCLBI-PBWTXFEYSA-N 319.404 3.869 0 40 DHAB C[C@H](NC(=O)COc1cccc(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 103075008 IQLFKLHHRFOXPQ-VPWBDBDCSA-N 307.821 3.660 0 40 DHAB C[C@@H]1CN(c2ncnc3cccc(F)c23)C[C@@H](c2ccccc2)O1 107342499 NHDMPBDABLEMDM-DYVFJYSZSA-N 323.371 3.735 0 40 DHAB O=C(Cc1ccccc1)N1CCS[C@H](c2ccccc2)CC1 208040090 SXJIVVPIJSMHGQ-SFHVURJKSA-N 311.450 3.936 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 222438011 JYMVMKPGYLWTLT-ZWRJDUBHSA-N 313.397 3.662 0 40 DHAB CCSc1ccccc1C(=O)NCCOCc1ccccc1 224639578 DRBYTTAGKSIJTB-UHFFFAOYSA-N 315.438 3.745 0 40 DHAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COC 224684065 YXNVABXOOPMWET-UHFFFAOYSA-N 303.333 3.623 0 40 DHAB COc1ccc(O[C@H](Cc2cccc3ccccc23)C(=O)O)cc1 225049031 DWBURSGSNCZWAP-LJQANCHMSA-N 322.360 3.923 0 40 DHAB CCOc1cc(CNC[C@@H]2CCCO2)ccc1O[C@H](C)CC 225158233 XZPVYASBZRPMPA-ZBFHGGJFSA-N 307.434 3.531 0 40 DHAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c(C)n1 225889445 ZTIUUJVWAKEMNE-SCLBCKFNSA-N 320.433 3.713 0 40 DHAB CC[C@@H](C(=O)OC)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260624914 WNLXXISROXROMF-DOMZBBRYSA-N 305.418 3.739 0 40 DHAB CCOC(=O)N[C@H](CC(=O)Nc1ccccc1)c1ccccc1 408981617 VYXVXBKYBMCQQT-MRXNPFEDSA-N 312.369 3.503 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)Cc2ccccc2C(=O)O)s1 573690427 XPZXVGBHTIBSQK-LLVKDONJSA-N 304.415 3.651 0 40 DHAB O=C(Cc1ccc(F)cc1)NCC(c1ccco1)c1ccco1 675007657 FAIHGLRNHZCUAO-UHFFFAOYSA-N 313.328 3.503 0 40 DHAB Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1 1776011018 RBFWATJIRVJWCJ-UHFFFAOYSA-N 309.213 3.551 0 40 DHAB CCCN1C(=O)N(c2ccc(Cl)cc2)[C@](C)(O)CC1(C)C 500626 COWYPPAGRLDNNP-MRXNPFEDSA-N 310.825 3.869 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)cc1 580027 CSTZNXJNQTVXNP-INIZCTEOSA-N 303.789 3.814 0 40 DHAB CCN(CC)CCOC(=O)C1c2ccccc2-c2ccccc21 1667645 SHLRAXTXBZMDPP-UHFFFAOYSA-N 309.409 3.684 0 40 DHAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2ncccc2c1 4335178 BCQBVOKKMWXNRU-QGZVFWFLSA-N 321.405 3.994 0 40 DHAB COc1ccc(Cl)cc1-c1nnc2c3ccccc3cnn12 4784213 JVGLNFGTUYQDKL-UHFFFAOYSA-N 310.744 3.607 0 40 DHAB COc1ccc(Cl)c2sc(NC(=O)c3ccco3)nc12 5256581 ZMFMSDWOSMYVLH-UHFFFAOYSA-N 308.746 3.804 0 40 DHAB Cc1cccc(Cc2cnc(NC(=O)c3cccnc3)s2)c1 5755280 DTRPSJDTQGTPOW-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB CC1=C2C[C@@H]3[C@@H](CN4CCCC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 6623735 VSWSIBQREJIPNZ-FXRXJOCMSA-N 303.446 3.541 0 40 DHAB biogenic COc1ccccc1NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1 6811371 TUXUTWPCMKMDHQ-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB Cc1cccc(OCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 6867618 YRBIMDZGXHEGDK-UHFFFAOYSA-N 313.441 3.849 0 40 DHAB Cc1ccc(C)c(C(=O)NCc2ccccc2CN2CCCC2)c1 8011690 RQRYKJQPXSQOIO-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB O=C(CCc1cccnc1)Nc1ccc2c(c1)OC1(CCCC1)O2 8166075 LVLYBYRQBQLTOC-UHFFFAOYSA-N 324.380 3.694 0 40 DHAB O=C(OCc1cc(-c2ccco2)on1)c1ccc(F)c(F)c1 8370623 VMRMGZTZEUNECO-UHFFFAOYSA-N 305.236 3.570 0 40 DHAB Cn1cc(C(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc21 9221089 LVSBOAQAGQHNKZ-UHFFFAOYSA-N 322.364 3.592 0 40 DHAB Clc1ccccc1OCCSC1=N[C@@H]2CCCC[C@@H]2N1 9691496 LKQMLYXTQLNVRS-BETUJISGSA-N 310.850 3.722 0 40 DHAB COc1cc(CC(=O)Nc2cccc3cccnc23)ccc1C 10448157 DUSXUFHIHIFBPC-UHFFFAOYSA-N 306.365 3.733 0 40 DHAB CC[C@@H](C)n1nccc1NC(=O)COc1cccc(Cl)c1 12062856 WZDAXBZUMITVLF-LLVKDONJSA-N 307.781 3.525 0 40 DHAB Fc1ccccc1Cn1c(C2CCNCC2)cc2cccnc21 12228439 TWUXGGHEBLWMTP-UHFFFAOYSA-N 309.388 3.691 0 40 DHAB Fc1cccc(Cn2c(C3CCNCC3)cc3cccnc32)c1 12228446 JDEYJDDSTZKKMS-UHFFFAOYSA-N 309.388 3.691 0 40 DHAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccn1 12609243 VLZJZBNPURWAHG-NSHDSACASA-N 308.303 3.520 0 40 DHAB COc1ccc(C)cc1CCNC(=O)C(C)(C)c1ccccc1 12802771 OZEBWCDQIBDUNX-UHFFFAOYSA-N 311.425 3.640 0 40 DHAB O=C(NCCCc1nc2ccccc2s1)c1cccc(F)c1 12927215 IQMBRXJLJHBYRM-UHFFFAOYSA-N 314.385 3.798 0 40 DHAB CCc1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 12932062 DZAKARZIALYJNU-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB O=C(O)/C=C/c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 12993154 KJCCLYSDOWQVLG-KPKJPENVSA-N 321.376 3.916 0 40 DHAB Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)[nH]1 13571536 UWMJPIRPHSUNGN-ZHACJKMWSA-N 301.349 3.883 0 40 DHAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2)c1 13676657 MVBGPYXURTYFES-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB COc1ccc(CSc2nnc(-c3ccncc3)o2)cc1F 13984976 HHVRVMLTNAMGAK-UHFFFAOYSA-N 317.345 3.572 0 40 DHAB CCSc1ccccc1C(=O)Nc1cccc(C(=O)OC)c1 14198418 JQJVHPBDMPUXND-UHFFFAOYSA-N 315.394 3.838 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 16086499 NCLBIRBENNJHET-LBPRGKRZSA-N 309.818 3.688 0 40 DHAB NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(F)c1 17130836 ITVFPLISLGXXHE-SILNSSARSA-N 316.719 3.557 0 40 DHAB Cc1ccc(C)c(OS(=O)(=O)c2ccc(C)c(C)c2C)c1 19943600 FBWGLFIBNADDJH-UHFFFAOYSA-N 304.411 3.996 0 40 DHAB Cc1c(NC(=O)c2cccc(OC(C)C)c2)cccc1C(=O)O 20141589 QYBAILOWGHYCJL-UHFFFAOYSA-N 313.353 3.733 0 40 DHAB COc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20458379 DGLUNXHZQUKZQO-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB OC1=Nc2n[nH]cc2[C@H](c2cccc(C(F)(F)F)c2)SC1 20715421 KTUBNADSJKRVLT-NSHDSACASA-N 313.304 3.853 0 40 DHAB CCCOc1ccccc1C(=O)Nc1noc(-c2ccccc2)n1 21800445 XGFGOTZRJBNWHR-UHFFFAOYSA-N 323.352 3.778 0 40 DHAB CCc1nc(N)sc1-c1nc(-c2ccc(Cl)cc2)no1 22121374 YGYZUZDSUWKUOC-UHFFFAOYSA-N 306.778 3.658 0 40 DHAB O=C(C[C@@H]1C=CCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 22832298 FAJMXGRNIPWXIG-CQSZACIVSA-N 307.397 3.535 0 40 DHAB CN(Cc1cccc2ccccc12)S(=O)(=O)c1cccs1 23714901 LLHISHGXJCCFHT-UHFFFAOYSA-N 317.435 3.722 0 40 DHAB FC(F)(F)c1ccnc(N2CCc3[nH]c4ccccc4c3C2)n1 24055579 YIEQVYUUQFFJNN-UHFFFAOYSA-N 318.302 3.539 0 40 DHAB CC(C)[C@H](C)N(CC(=O)Nc1ccc(F)cc1Cl)C1CC1 26670120 URVBNQAKOGENGQ-NSHDSACASA-N 312.816 3.927 0 40 DHAB CCOCc1ccccc1CNC(=O)c1cn(C)c2ccccc12 30509258 LTHXEPMTZMXXTH-UHFFFAOYSA-N 322.408 3.645 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1 32609788 VIGVQZVUSBOYSL-AWEZNQCLSA-N 313.397 3.973 0 40 DHAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(F)cc2C)cc1 41725403 QSGJDSOFQDCNAQ-UHFFFAOYSA-N 317.389 3.901 0 40 DHAB O=C(NCc1ccc(Br)cc1)c1ccccc1F 42335839 UKGSVXFAJIEAEY-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB CCCOC(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 48020395 PNVHAJJAEPQZKW-UHFFFAOYSA-N 304.390 3.661 0 40 DHAB CCC(CC)NC(=O)Nc1cc(Cl)c(OC)cc1OC 48302172 MGRMFIITIPKOEO-UHFFFAOYSA-N 300.786 3.667 0 40 DHAB c1ccc(Cn2cc(CNc3nc4ccccc4o3)cn2)cc1 52243981 XZSKDRLOQJBFNM-UHFFFAOYSA-N 304.353 3.685 0 40 DHAB O=C(Nc1nc2ccccc2s1)C1=NO[C@H](c2ccccc2)C1 54272764 UNPTWBNNHIZLJY-AWEZNQCLSA-N 323.377 3.752 0 40 DHAB O=C(/C=C/c1ccccn1)N[C@H](c1ccccc1)c1ccco1 58365653 BTVAMIXSOJDHLF-TZZQJPOUSA-N 304.349 3.594 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)N1CCC(OCC(C)C)CC1 71821410 FHMQKTKKRFDAKW-UHFFFAOYSA-N 314.429 3.754 0 40 DHAB CCOc1ccc(-c2cc(-c3ccccc3F)nc(N)n2)cc1 71977775 WACYFXCVGBNSRJ-UHFFFAOYSA-N 309.344 3.931 0 40 DHAB CO[C@]1(C)C[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1(C)C 72304561 MEAWEWPLQRSVCF-CRAIPNDOSA-N 301.386 3.708 0 40 DHAB CN1CCC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 81223031 JSBCBPDWFRPVBV-QGZVFWFLSA-N 324.424 3.546 0 40 DHAB C[C@@H](c1cccnc1)N(C)Cc1csc(-c2ccccn2)n1 93235733 WKKVUDKQSHJTMP-ZDUSSCGKSA-N 310.426 3.793 0 40 DHAB Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC=C(F)C1 95459835 YDYGYUIXTQBXKM-UHFFFAOYSA-N 319.811 3.952 0 40 DHAB Cc1ccc(CN[C@@H](C)c2cnccn2)c(OC2CCCC2)c1 95969179 WHIYTPDKNHIEHK-HNNXBMFYSA-N 311.429 3.957 0 40 DHAB CCS(=O)(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1C 96413045 UODWXWILEOIDKY-AWEZNQCLSA-N 318.442 3.930 0 40 DHAB CC(C)CO[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 96529912 QGONTRVMESJITG-CYBMUJFWSA-N 311.344 3.601 0 40 DHAB CC(C)c1ccc([C@H](C)SCC(=O)NC2CCOCC2)cc1 97085506 IEJRHYOMYQODFF-AWEZNQCLSA-N 321.486 3.899 0 40 DHAB Cc1ccc(NC(=S)NCCCSCc2ccco2)nc1 225595288 PLWNUMONPWOZSM-UHFFFAOYSA-N 321.471 3.593 0 40 DHAB COCCC1(NC(=S)Nc2ccccc2Cl)CCCC1 225844231 ZGSDLTOMADXGBY-UHFFFAOYSA-N 312.866 3.976 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](C(=O)O)[C@@H]2C[C@@H](O)c1ccccc1 245239051 DYCAJMGMLIVAOG-LCEIHVTHSA-N 302.414 3.883 0 40 DHAB CCCOc1ccc(-c2nnc([C@@H]3CCCCO3)o2)cc1OC 521393842 MRBMTVRRDCNYPP-AWEZNQCLSA-N 318.373 3.776 0 40 DHAB CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccco1 132900 RIHGZJXXFYMLKN-UHFFFAOYSA-N 314.728 3.552 0 40 DHAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccs1 178757 GWROOHYHANHGSU-UHFFFAOYSA-N 319.386 3.582 0 40 DHAB COCc1cc(NCc2ccccc2)nc(-c2ccccc2)n1 1388939 GXOPVOGLMDGFRP-UHFFFAOYSA-N 305.381 3.902 0 40 DHAB O=C1O[C@@H](CC(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl 1618358 LQYBKXDTOSRFSI-VIFPVBQESA-N 305.544 3.527 0 40 DHAB CC(=O)OCCCC[C@H]1CO[C@H](c2ccc(C(C)C)cc2)O1 1681896 DDLOGTGEIHACKY-ROUUACIJSA-N 306.402 3.957 0 40 DHAB C[C@H](CCN(C)C)OC(=O)C(c1ccccc1)c1ccccc1 1810648 BPZNOFKMNCMRQO-MRXNPFEDSA-N 311.425 3.702 0 40 DHAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(F)cc1 1918917 ASCOZAXPXULAOO-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB COc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 3551945 YNOSOPSRSMWCMS-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB Cn1c(=O)c(/C=C/c2ccc3ncccc3c2)nc2ccccc21 4178797 NGPUMIJHBIGABX-PKNBQFBNSA-N 313.360 3.652 0 40 DHAB O[C@](c1ccccc1)(c1ccncc1)C(F)(F)C(F)(F)F 4244909 KPGVGHYFJYBYAV-GFCCVEGCSA-N 303.230 3.515 0 40 DHAB CCC[C@@H](C)[C@]1(CC)C(=O)N=C(Nc2ccc(F)cc2)N=C1O 4339343 REOCKKDOWQLIIZ-LLVKDONJSA-N 319.380 3.923 0 40 DHAB Cc1ccc([S@@](=O)CCC[S@](=O)c2ccc(C)cc2)cc1 5218280 WMAYQNLTRBBCGT-NHCUHLMSSA-N 320.479 3.609 0 40 DHAB CCC(CC)NC(=O)CSC1=Nc2ccccc2CS1 5325174 SXVQDLLVUKCRED-UHFFFAOYSA-N 308.472 3.959 0 40 DHAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](/C=C/c2ccccc2)N1 5515251 NYBRWZYJSBALAQ-QTYXSNHHSA-N 318.376 3.521 0 40 DHAB O=C(O)[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 6829722 PCZDVVVVTDJPLP-ZDUSSCGKSA-N 312.350 3.655 0 40 DHAB CC(C)C(=O)Nc1ccc(-c2csc(NC3CC3)n2)cc1 7274839 MVQNLQLSTKGNKZ-UHFFFAOYSA-N 301.415 3.979 0 40 DHAB Clc1ccc(-c2noc(CSc3nncs3)n2)cc1 7442635 YEZKLRYBKBTFKF-UHFFFAOYSA-N 310.791 3.534 0 40 DHAB CCN1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1 7737654 SHNVVTVMFKEPPL-MRXNPFEDSA-N 324.424 3.693 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2Br)c(C)n1C 8051683 MCVCTGWEMJLPSF-UHFFFAOYSA-N 307.191 3.657 0 40 DHAB O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(F)cc1 8060352 DJYHZHHSKQYFNC-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB O=C1c2ccccc2NC2(CCSCC2)N1c1ccccc1 8194551 FYNOIPLHHARSPF-UHFFFAOYSA-N 310.422 3.982 0 40 DHAB C[C@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N1CCCC1 9314728 JVLCCCMUIOGBCI-AWEZNQCLSA-N 306.409 3.681 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2nc1C 12372669 UNJAHFAGBOEDHC-UHFFFAOYSA-N 320.396 3.565 0 40 DHAB CCCc1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 12411456 ZSUACPZCTXTOEL-JZXOWHBKSA-N 305.462 3.642 0 40 DHAB Cc1ccccc1-c1noc(CN2c3ccccc3C[C@@H]2C)n1 12526524 ZSMJVBVGINHYIK-AWEZNQCLSA-N 305.381 3.996 0 40 DHAB CC(C)c1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1 12882488 VDSHULGULIYIIK-UHFFFAOYSA-N 316.426 3.630 0 40 DHAB O=C(CSc1cc(Cl)ccc1Cl)Nc1nncs1 12910064 LOXXGVOLWVMQRS-UHFFFAOYSA-N 320.226 3.576 0 40 DHAB O=C(/C=C/c1ccco1)N1CCC(c2nc3ccccc3o2)CC1 15832098 SLJININELJJDHQ-BQYQJAHWSA-N 322.364 3.840 0 40 DHAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc(OC)cc1 21022469 NVCJVTMVJRNTLX-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CCC(=O)O 21802276 UMHBURDDFCFQRI-UHFFFAOYSA-N 313.184 3.813 0 40 DHAB CCCCc1noc(CSc2nc3ccc(OC)cc3[nH]2)n1 22611047 AURJNKOOVQDPAR-UHFFFAOYSA-N 318.402 3.589 0 40 DHAB CC(C)C(=O)Nc1cccc(CNc2cnc3ccccc3n2)c1 24211769 WRZCZTVAVSNJAU-UHFFFAOYSA-N 320.396 3.836 0 40 DHAB C[C@@H](NC(=O)CC(C)(C)CC(=O)O)c1cc2ccccc2o1 29010814 MOCXJJCXYXBKIE-LLVKDONJSA-N 303.358 3.501 0 40 DHAB CCc1nc(C)c2c(C)c(C(=O)NC(C)(C)CC)sc2n1 32903246 QMEMPCFHNUFSEI-UHFFFAOYSA-N 305.447 3.789 0 40 DHAB Cc1cc(C(=O)COC(=O)c2cc3ccccc3s2)c(C)[nH]1 39548157 XEZFJMJEBJACQC-UHFFFAOYSA-N 313.378 3.886 0 40 DHAB O=C(COc1ccc2ccccc2c1)Nc1cccc2cn[nH]c12 39551606 IDCVGMZJHIEGSP-UHFFFAOYSA-N 317.348 3.734 0 40 DHAB CCOC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 40440692 BYVJCZROJRQEAS-UHFFFAOYSA-N 306.774 3.893 0 40 DHAB COC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 44154455 BBCAYMRAAISDNR-UHFFFAOYSA-N 301.289 3.924 0 40 DHAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Br 47913105 ZAUHLEKEZRUHGZ-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)n1ccnc1 47918631 JBADFLUPLGUJKU-HNNXBMFYSA-N 305.381 3.674 0 40 DHAB CCN(C(=S)NC[C@H]1CCCO1)c1ccc2ccccc2c1 50251792 JQVHFGPTQAKDNP-QGZVFWFLSA-N 314.454 3.720 0 40 DHAB CC[C@H](C)N1COc2c(Cl)cc3c(C)cc(=O)oc3c2C1 57142859 VJHVOZQVMASIHP-JTQLQIEISA-N 307.777 3.705 0 40 DHAB NC(=O)c1ccc(Cl)cc1OCc1nc2ccccc2s1 60169827 HAYGEPOVRHXBTJ-UHFFFAOYSA-N 318.785 3.628 0 40 DHAB COc1ccc(OCCCSC(=S)N2CCCC2)cc1 61131180 WEPIMFRFJKNDAT-UHFFFAOYSA-N 311.472 3.578 0 40 DHAB CC(C)N1CC[C@@H](NC(=S)Nc2ccc3ccccc3c2)C1 66012372 UHFFVGYBJNOWAH-QGZVFWFLSA-N 313.470 3.609 0 40 DHAB CC(C)(C)Sc1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1 69841570 OFXLOEILRZZJAG-CYBMUJFWSA-N 308.447 3.566 0 40 DHAB CCN(C(=O)c1cnccn1)[C@H](C)c1cccc(C(F)(F)F)c1 69980905 LNPCGFGBWSGOKK-LLVKDONJSA-N 323.318 3.719 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](C)CC[C@H]1C(C)C 71910113 BLQIUAXZJDITEM-GUYCJALGSA-N 306.450 3.897 0 40 DHAB CCN(C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72212812 PLBCKHXHEPGJCK-SFHVURJKSA-N 323.440 3.905 0 40 DHAB COc1cccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c1 72238557 OZUWGUXQTFAXOR-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB CCc1nccn1-c1cccc([C@H]2CCCN(C3CCCC3)C2)n1 72379135 LCAFLKJYMQACOZ-INIZCTEOSA-N 324.472 3.952 0 40 DHAB C[C@@H](c1ccco1)N(C)C(=O)NCCc1cc(F)ccc1F 75092187 ODYCNUKTJSDDRF-NSHDSACASA-N 308.328 3.503 0 40 DHAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc1 78403652 KBFQNRSXLJGXHU-UHFFFAOYSA-N 316.426 3.579 0 40 DHAB Cc1noc(C)c1[C@H](C)CNc1ccc(Br)cn1 89526285 JQPMTBUCKFAWFT-MRVPVSSYSA-N 310.195 3.665 0 40 DHAB Cc1c([C@H](C)NCc2ccco2)nnn1-c1ccc(Cl)cc1 89556319 SEMHSZZCBCWOQF-NSHDSACASA-N 316.792 3.673 0 40 DHAB CCCC(=O)N(CC)[C@@H](c1cccnc1)c1ccc2c(c1)CCO2 95396137 QUKJPMQHHYESNP-HXUWFJFHSA-N 324.424 3.755 0 40 DHAB CSC[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1 95411685 WUVPDCKTYRWSML-MRXNPFEDSA-N 303.471 3.611 0 40 DHAB COc1ccc2cc(C(=O)[C@H]3CCCC[C@H]3C(=O)O)ccc2c1 95634433 FHBOBYTUBMBGEJ-DLBZAZTESA-N 312.365 3.922 0 40 DHAB COc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F 95916926 RYYQOXCPOIDZNC-UHFFFAOYSA-N 320.188 3.761 0 40 DHAB CCCN(C)Cc1nc(-c2ccc(N3CCCCC3)cc2)no1 95946230 IVNDZJDOJMFSHQ-UHFFFAOYSA-N 314.433 3.569 0 40 DHAB CO[C@](C)(CNC(=O)/C=C/c1ccoc1)c1cccc(Cl)c1 96392756 ZAFWJNMVZVOTNQ-DKRLNXSXSA-N 319.788 3.624 0 40 DHAB Cc1csc([C@@H](NC(=O)NCc2sccc2C)C2CC2)n1 96439494 KNMHMDZPQPMWQO-ZDUSSCGKSA-N 321.471 3.772 0 40 DHAB CCN(C(=O)[C@H](C)Sc1ccc(OC)cc1)c1cccnc1 104401516 QUZJVIAMMPXGGL-ZDUSSCGKSA-N 316.426 3.624 0 40 DHAB Cc1ccc(C)c(CC(=O)N[C@@H](C)COc2ccccc2C)c1 219276087 VTJZWVDLXAGBFC-KRWDZBQOSA-N 311.425 3.738 0 40 DHAB COc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1 222614772 VNVSJRDAMOXOGO-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(CC)cc1 223602623 HTSFYYDZXWWTBV-UHFFFAOYSA-N 324.424 3.570 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1C 224603492 VYELQJOBHIETPQ-SJORKVTESA-N 311.425 3.991 0 40 DHAB CC(C)(C)SCCNC(=O)Cc1ccc(Cl)cc1F 224959600 DDYRWJLEECZJLV-UHFFFAOYSA-N 303.830 3.670 0 40 DHAB COc1ccc(C(=O)NCCSC2CCCCC2)cc1F 225388745 HSIXYFJXQVNYMW-UHFFFAOYSA-N 311.422 3.630 0 40 DHAB C[C@H](Cc1cccs1)N(CC(=O)O)Cc1ccc(Cl)cc1 225475563 XJAVMEMWMUVJQJ-GFCCVEGCSA-N 323.845 3.919 0 40 DHAB CCCOc1ncc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C 225913338 PVJDBPKTIQGQFM-GOSISDBHSA-N 320.433 3.713 0 40 DHAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(F)cc1 226261110 QMKXRBMSPQKEFN-UHFFFAOYSA-N 301.365 3.506 0 40 DHAB Cc1ccc(CN2CCn3c(-c4ccsc4)cnc3C2)s1 306137285 QRUAUPSWWCXVJQ-UHFFFAOYSA-N 315.467 3.997 0 40 DHAB CCCCCN1C(=O)S/C(=C\c2ccc(O)c(OC)c2)C1=O 409202779 UTMLGFANMVNZLI-UVTDQMKNSA-N 321.398 3.627 0 40 DHAB CC(C)Oc1ncccc1OCc1cccnc1C(F)(F)F 530164312 CVXRGWUGVQAXHH-UHFFFAOYSA-N 312.291 3.862 0 40 DHAB CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1ccccc1Cl 385460 OJKZOAVBTIVAIE-INIZCTEOSA-N 318.735 3.718 0 40 DHAB Cc1ccc(-c2nn3c(COc4ccccc4)nnc3s2)cc1 532572 QQGUHOLSYBQRHC-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB O=S1(=O)c2cccc3cccc(c23)N1CCCc1ccccc1 3317577 LYLRZGZBYZDVNY-UHFFFAOYSA-N 323.417 3.981 0 40 DHAB O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 3328971 PSLFGAFTYICAOX-UHFFFAOYSA-N 321.156 3.900 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1C 3385773 UTMPCQBKNYRMDK-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)C[C@H](C)O1 3417463 FGFNQPDJJIIYQZ-GJZGRUSLSA-N 311.381 3.728 0 40 DHAB C[C@]1(O)CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4104654 XLHAVSYGJGEONL-FDVPAGPLSA-N 318.457 3.528 0 40 DHAB biogenic,in-vitro O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)s1 4276173 MPMRVGFJURSEGW-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB CC(=O)[C@@]1(C)SC(N(c2ccccc2)c2ccccc2)=NC1=O 4964088 HABUFTVZGXMKSZ-GOSISDBHSA-N 324.405 3.802 0 40 DHAB O=Cc1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 5446266 BBJCLXSIMXLZPX-UHFFFAOYSA-N 307.397 3.548 0 40 DHAB CC(=O)c1ccc(NC(=S)Nc2ccc(C(C)=O)cc2)cc1 5498782 WSNPLHQUYQOJFP-UHFFFAOYSA-N 312.394 3.901 0 40 DHAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 5559288 FISZANTVBBVTOQ-LBPRGKRZSA-N 319.788 3.605 0 40 DHAB CCOCc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12 5903849 IPGRDEYZQGTHBR-UHFFFAOYSA-N 312.321 3.827 0 40 DHAB biogenic Cc1cc(C)c2c(n1)oc1c(NCc3ccccc3)ncnc12 6764413 RXJYJUGOSNWGSQ-UHFFFAOYSA-N 304.353 4.000 0 40 DHAB CSc1ncccc1C(=O)N1CCSc2ccccc21 8076026 DENPYXIHFQTTSJ-UHFFFAOYSA-N 302.424 3.556 0 40 DHAB Cc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)C(=O)[C@H]2C)cc1 8229936 JYTWSSDJDCCUAQ-MRXNPFEDSA-N 322.408 3.969 0 40 DHAB CNCc1cc(Br)ccc1OCc1ccccc1F 8377374 UOILAOYLLOWTLI-UHFFFAOYSA-N 324.193 3.887 0 40 DHAB CC(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 8407096 GUEMLHHBKBUOEH-UHFFFAOYSA-N 301.367 3.552 0 40 DHAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 8869078 HLVOSCRZNMJRSJ-UHFFFAOYSA-N 322.364 3.976 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)NC1Cc2ccccc2C1 9873898 BRDXVTAMJNLWHY-UHFFFAOYSA-N 304.752 3.768 0 40 DHAB Cc1cc(NC(=O)c2ccc3ncsc3c2)n(C(C)C)n1 11695191 SXTAYUNJFLBBPT-UHFFFAOYSA-N 300.387 3.634 0 40 DHAB CC(C)[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1cccs1 12200588 HZTAIRYRTOXCGB-CQSZACIVSA-N 317.458 3.963 0 40 DHAB CN1c2ccccc2C(=O)N[C@@H]1c1csc(-c2ccccc2)n1 12548772 COIWUHLYYFLAKT-INIZCTEOSA-N 321.405 3.689 0 40 DHAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(Cl)s2)c1 12568030 IUZVUIWFDCOFCH-UHFFFAOYSA-N 320.801 3.546 0 40 DHAB C[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1 12608072 MBVVCSCFTBVLRG-GFCCVEGCSA-N 309.344 3.827 0 40 DHAB c1cc(-c2cnc(N3CCCCC3)nc2-c2ccoc2)ccn1 12667931 VTJAIBAMYNWBGP-UHFFFAOYSA-N 306.369 3.789 0 40 DHAB CCCOC(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1 12789658 RZYRXTLZFDOVHE-UHFFFAOYSA-N 311.381 3.743 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(OC(F)F)cc1 14117032 UUPXPBHWCJEXFC-QBGAIBADSA-N 309.356 3.996 0 40 DHAB FC(F)(F)c1cccc(CNC(=S)NCc2ccccc2)c1 16283040 MXAHZDKWQWZXBT-UHFFFAOYSA-N 324.371 3.870 0 40 DHAB Cc1c(C(=O)NCCN(C)c2ccccc2)oc2ccccc12 16724315 XDTKWBXYFPWCLM-UHFFFAOYSA-N 308.381 3.607 0 40 DHAB CC[C@@H](c1ccccc1)c1nn2c(=O)c3ccccc3nc2s1 17055805 ANDGSQBGIIHTHC-ZDUSSCGKSA-N 321.405 3.846 0 40 DHAB CCOC(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 19897652 CMSVXLLEIXXRHD-UHFFFAOYSA-N 318.376 3.815 0 40 DHAB CCCCCC(=O)Nc1ccc(OC)c(-c2ccc(CO)o2)c1 20136642 BDWVKNVAZCVROP-UHFFFAOYSA-N 317.385 3.966 0 40 DHAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)O 20190953 FVUXWWOTQHCNPG-UHFFFAOYSA-N 301.367 3.749 0 40 DHAB COc1ccc2[nH]c(C)c(CCNCc3cccc(F)c3)c2c1 20436674 OPJXOMXBTNWHHU-UHFFFAOYSA-N 312.388 3.956 0 40 DHAB COc1ccc(CNc2ccc(Cl)c(C(=O)O)c2)cc1OC 20879939 OFNKBYFDXKWAIV-UHFFFAOYSA-N 321.760 3.668 0 40 DHAB Cc1csc(NC(=O)Cc2nc(-c3cccs3)oc2C)n1 24497806 RCFLJZXLYROBKO-UHFFFAOYSA-N 319.411 3.658 0 40 DHAB COc1ccc2nc(Cl)c(C=O)c(N3CCC(C)CC3)c2c1 26440451 LQGGMQDPIHEATB-UHFFFAOYSA-N 318.804 3.946 0 40 DHAB C[C@@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H](C)O1 26807618 LDYHDDUMKHKVKO-VXGBXAGGSA-N 306.793 3.604 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccnc1 29296625 LCDGOQIEAMDALC-IBGZPJMESA-N 319.408 3.859 0 40 DHAB Clc1cc(CSc2nccn2C2CC2)cc2c1OCO2 29625716 KJLAUGGAYWLUOX-UHFFFAOYSA-N 308.790 3.892 0 40 DHAB Cc1ccc(/C=C/C(=O)NCCCN(C)c2ccccc2)cc1 30014747 CHOVILMEKOPKPZ-BUHFOSPRSA-N 308.425 3.651 0 40 DHAB CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C)ccc1C 36015011 QFBYVEDMPNEUNS-MQIPJXDCSA-N 302.418 3.508 0 40 DHAB CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCCCCC1 40158873 ALWRLGHWMUDTMO-OAHLLOKOSA-N 324.465 3.567 0 40 DHAB CCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 45165136 UOZPZYGFADGVJM-UHFFFAOYSA-N 307.349 3.518 0 40 DHAB C[C@@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1ccccn1 45559976 UORPWVCIQQNJBE-IUODEOHRSA-N 313.426 3.679 0 40 DHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccnc2)c1 45584663 KMAPXBMWHVGOAW-OAHLLOKOSA-N 312.413 3.597 0 40 DHAB CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CCOc2ccccc21 48686548 LHRPRCYVPGYTGI-CQSZACIVSA-N 319.836 3.810 0 40 DHAB CCc1nc(C)c(C(=O)N(C)[C@H](C)c2ccccc2OC)s1 50311853 ZCBMWWPCIIICCK-GFCCVEGCSA-N 318.442 3.856 0 40 DHAB Cc1cc(C)n(-c2ccc(NCc3c(C)noc3C)cc2F)n1 55880164 JOGLGLBLVVQHSZ-UHFFFAOYSA-N 314.364 3.845 0 40 DHAB C[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1nc(C2CC2)no1 56202945 ISJJTUZGRNBISK-LLVKDONJSA-N 316.380 3.859 0 40 DHAB O=C(NCc1nc2ccccc2s1)c1cccc2cccnc12 60611832 YXLOTVOZHWLWSY-UHFFFAOYSA-N 319.389 3.775 0 40 DHAB Cc1ccc(-c2n[nH]c(SCc3nnsc3Cl)n2)cc1 65553620 JAXSVTOOMJLJLI-UHFFFAOYSA-N 323.834 3.577 0 40 DHAB Cc1oc(-c2ccsc2)nc1CSc1nncn1C1CC1 69451372 HVRVMMYWDVDHIX-UHFFFAOYSA-N 318.427 3.930 0 40 DHAB CC[C@H](C)C(=O)NCCc1nc(-c2ccc(OC)cc2)cs1 72264891 ZHBFMBGLPGAXAC-LBPRGKRZSA-N 318.442 3.524 0 40 DHAB O=C(NC1CCCCCCC1)c1cn[nH]c1-c1cccs1 72329438 KHEVZIMHYAVIHQ-UHFFFAOYSA-N 303.431 3.981 0 40 DHAB CS[C@@H]1CCC[C@H](NC(=O)CNc2ccccc2Cl)C1 76016957 WBUDKMAMECZSHU-NWDGAFQWSA-N 312.866 3.542 0 40 DHAB C[S@@](=O)Cc1cc(NC(=O)C[C@H]2C=CCC2)ccc1Cl 79361151 SOYWLCMFAANCJG-YBTHPKLGSA-N 311.834 3.513 0 40 DHAB COC(=O)c1cc(-c2nc3c(F)cccc3n2C2CC2)oc1C 84028473 PRKYILRPCAJFEB-UHFFFAOYSA-N 314.316 3.865 0 40 DHAB O=[S@](Cc1cccc(Cl)c1)Cc1cccc2c1OCCO2 84367799 AIMGUQBVQANIMR-NRFANRHFSA-N 322.813 3.560 0 40 DHAB CC(=O)O[C@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 85722622 QWMWZEMANMVJOO-VLIAUNLRSA-N 323.392 3.725 0 40 DHAB Cn1ccnc1CNc1cccc(COCCc2ccccc2)c1 89761459 QJSVKZFQLPNBFE-UHFFFAOYSA-N 321.424 3.792 0 40 DHAB Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CN2 91297386 CCOCQKUETGPYBY-UHFFFAOYSA-N 302.418 3.689 0 40 DHAB in-vitro CSc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)o1 95395599 MBANEPOTHZAASF-KRWDZBQOSA-N 324.405 3.916 0 40 DHAB O=C(O)Cc1csc(Nc2c(Cl)cccc2Cl)n1 95929444 BJJJREALTBRSPP-UHFFFAOYSA-N 303.170 3.821 0 40 DHAB CCCOc1ccc(CNC[C@@H]2COC3(CCCCC3)O2)cc1 95989203 WDBPPHHAYWXQGQ-GOSISDBHSA-N 319.445 3.641 0 40 DHAB COc1cc(C=O)ccc1OCCSCc1ccccc1F 96191226 FFYWHCUMWUFBLV-UHFFFAOYSA-N 320.385 3.959 0 40 DHAB COc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1F 97160625 UPIOZDSFGQINMZ-UHFFFAOYSA-N 309.340 3.918 0 40 DHAB O=C(Nc1ccc(Br)cc1)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12 100059584 DDMPLNKPXYXIIP-NRMKKVEVSA-N 306.203 3.680 0 40 DHAB CC1(C)[C@@H](OC(=O)c2ccccc2C(=O)O)[C@]2(C)CC[C@@H]1C2 100135276 JQPMUVLMMAFMKZ-XNAIMREJSA-N 302.370 3.756 0 40 DHAB in-vitro COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)ccc1O 100151427 KTOAGBIQQPGNIR-PNPHSEOMSA-N 304.386 3.772 0 40 DHAB Cc1cccc(Cn2nccc2NC(=O)C2[C@@H]3CCCC[C@@H]23)c1 101408503 DHLQAOJPDSQHCT-HZPDHXFCSA-N 309.413 3.615 0 40 DHAB Cc1ccn2cc(C(=O)N3CCC[C@H]3c3ccccc3)nc2c1 198751755 PLOWKZWTARRWFW-KRWDZBQOSA-N 305.381 3.620 0 40 DHAB CC(C)(C)S[C@H](c1ccccc1)c1c(O)[nH]c(=S)[nH]c1=O 223812530 ZQMBCTLAVVWUNX-LLVKDONJSA-N 322.455 3.759 0 40 DHAB C[C@@H](CNC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 225134210 ZLRNAPJBLUCHHZ-INIZCTEOSA-N 323.436 3.864 0 40 DHAB O=C(NC[C@@H](O)c1csc2ccccc12)Nc1cccs1 225699033 LEAXCAAGDAJZPR-GFCCVEGCSA-N 318.423 3.818 0 40 DHAB CCOc1ccc(NC(=O)C(F)(F)F)cc1C(F)(F)F 225781974 MPWTVSVJKAKIBP-UHFFFAOYSA-N 301.186 3.605 0 40 DHAB C[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3o2)c1 226774853 ADHHARSWVVJIPH-UHFFFAOYSA-N 324.585 3.735 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN1[C@H](C)CCC[C@H]1C 245253802 FXMYFPOBYHRDNB-BRWVUGGUSA-N 305.462 3.813 0 40 DHAB O[C@@H]1[C@@H](NC2CCCCCC2)CCC[C@H]1Oc1ccc(F)cc1 585289192 NSBVIOXTCYXUQJ-IPMKNSEASA-N 321.436 3.799 0 40 DHAB CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1C 200830 NMNOHVGBGDTDSK-OAHLLOKOSA-N 321.424 3.980 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3C)CC2=O)cc1 350753 YZGHTARWCKZLBU-INIZCTEOSA-N 322.408 3.603 0 40 DHAB O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1ccco1 375980 XJRBJBNJGSQUTB-LBPRGKRZSA-N 312.350 3.926 0 40 DHAB CCN(CC)C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 797159 VQHDWMVSMRNPDS-UHFFFAOYSA-N 320.776 3.667 0 40 DHAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)s1 3228824 FJOHGXGBKDFIAZ-UHFFFAOYSA-N 300.788 3.811 0 40 DHAB O=C(CSc1ncccn1)Nc1ccc(-c2ccccc2)cc1 3344135 QROKQZJMKVSRGC-UHFFFAOYSA-N 321.405 3.874 0 40 DHAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCCCC1 3571844 CAPXMAURRVTFBM-JTQLQIEISA-N 301.217 3.806 0 40 DHAB CCc1cc(OCC(=O)NCc2ccccc2)ccc1Cl 5347291 WYTNGWMUWPXJCC-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB CC(C)(C)c1cc(NN)n2ncc(-c3ccccc3Cl)c2n1 5350171 HIRDHLXCPVGAOY-UHFFFAOYSA-N 315.808 3.633 0 40 DHAB Cc1ccccc1[C@](C)(O)c1cnc(C)n1Cc1ccccc1 5504147 ZHPCBONTGXXFMC-FQEVSTJZSA-N 306.409 3.804 0 40 DHAB Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 5704050 YBNIVWGKQFFNFO-NSHDSACASA-N 312.394 3.680 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(C)cc2)cc1OCC 8558782 MXVRPHPQWBCDNI-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB Cc1nc2cc(C(F)(F)F)ccc2c(O)c1CN1CCCC1 8717343 OSWOARUUSCTJOJ-UHFFFAOYSA-N 310.319 3.863 0 40 DHAB CC(C)(C)SCCNC(=O)c1ccc(CN2CCCC2)cc1 10328303 RRROFTCTYGECET-UHFFFAOYSA-N 320.502 3.544 0 40 DHAB Cc1ccc2oc(C(=O)N[C@H]3CCc4ccccc43)cc(=O)c2c1 10960371 NAKDAWCGLOQNGP-INIZCTEOSA-N 319.360 3.519 0 40 DHAB Cc1c(C(=O)OCC(=O)c2ccc[nH]2)oc2c(Cl)cccc12 11124340 PEKYXCLLGVAKFG-UHFFFAOYSA-N 317.728 3.762 0 40 DHAB Cc1cc(NC(=O)CNc2ccccc2Cc2ccccc2)no1 11623437 IMEYZRQGRMXFGG-UHFFFAOYSA-N 321.380 3.624 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(F)cc2)C1 12141942 IERYFFQDBOOVPT-HIFRSBDPSA-N 309.381 3.506 0 40 DHAB COC(=O)/C(=C(/F)SCC(=O)c1ccccc1)C(F)(F)F 12417243 JSPIOVVKZQUJIL-ZHACJKMWSA-N 322.279 3.519 0 40 DHAB COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1 12676647 VTEDKHOLAQXKLU-IFXJQAMLSA-N 324.424 3.763 0 40 DHAB COc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1F 13570133 GKHVJVOUFZTHPC-UHFFFAOYSA-N 318.329 3.803 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 13649819 JFNIKFUZLJNKOH-LBPRGKRZSA-N 301.773 3.697 0 40 DHAB CC(C)C(=O)Nc1ccc(SCc2cccc(F)c2)nn1 13702050 QSYVGCQYVGRGED-UHFFFAOYSA-N 305.378 3.503 0 40 DHAB COc1cc(C(C)=O)ccc1OCc1nc(-c2ccccc2)no1 14236033 SACIJOZNEWHKOZ-UHFFFAOYSA-N 324.336 3.527 0 40 DHAB COc1ccc(CN(C)C(=O)c2cc3ccccc3o2)cc1F 14245422 RMEKZOKIERJSQI-UHFFFAOYSA-N 313.328 3.853 0 40 DHAB CCCCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 14257539 DDDYIHZRZCZFCE-UHFFFAOYSA-N 321.229 3.702 0 40 DHAB O=C(O)CCc1ccc(Oc2ccc(CCC(=O)O)cc2)cc1 14620416 UKCHMOVWJBXLBX-UHFFFAOYSA-N 314.337 3.513 0 40 DHAB biogenic C[C@@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1Cl 25987134 UKBXWDDLSSYILD-SNVBAGLBSA-N 324.211 3.949 0 40 DHAB COc1cccc(NC(=O)c2csc(Cc3ccccc3)n2)c1 32643296 MEZGXPRITPIKOV-UHFFFAOYSA-N 324.405 3.995 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@@H](C)c1ccccc1 32905783 AUZDJTMLVNGUBY-CYBMUJFWSA-N 320.392 3.579 0 40 DHAB Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1 36107954 NZWWSLTYGIREPO-UHFFFAOYSA-N 316.426 3.703 0 40 DHAB CCOCCCC(=O)Nc1ccc(-c2csc(C)n2)cc1 40131722 VNZUJHDAPNRLOA-UHFFFAOYSA-N 304.415 3.874 0 40 DHAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)c1 42646575 XIMBZGUSGBJFBL-UHFFFAOYSA-N 324.424 3.547 0 40 DHAB CC(C)Oc1ccc(NC(=O)N(C)Cc2ccco2)c(F)c1 52267693 QTEBGXJODRCJOH-UHFFFAOYSA-N 306.337 3.870 0 40 DHAB COc1ccc(CN(C)C(=O)CCc2ccc(Cl)cc2)cc1 53665033 GVCONGICQOIRBX-UHFFFAOYSA-N 317.816 3.940 0 40 DHAB O=C(Cn1cc(Cl)cn1)Nc1ccccc1-c1ccccc1 58015510 ZFGIGWDFUSPINJ-UHFFFAOYSA-N 311.772 3.842 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1OC 68933412 RZAZPGYCHKJBDB-UHFFFAOYSA-N 303.333 3.794 0 40 DHAB CCOc1c(Cl)cccc1NC(=O)c1c(C)nn(CC)c1C 71882699 KBOAESWKQIENAR-UHFFFAOYSA-N 321.808 3.824 0 40 DHAB CC(C)n1cc(CCC(=O)Nc2ccn(C)n2)c2ccccc21 72404515 LESZDIIBTWFMQN-UHFFFAOYSA-N 310.401 3.527 0 40 DHAB FC(F)(F)c1ccc(CN2CC(c3nc(C4CC4)no3)C2)cc1 75156389 RAOZWDPMRYXMGZ-UHFFFAOYSA-N 323.318 3.565 0 40 DHAB Nc1c(Cl)cc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1Cl 84422146 SZFIJRCVESPJND-GHMZBOCLSA-N 322.195 3.713 0 40 DHAB Cc1ccccc1[C@H](C)NCCc1cccc(C(=O)N(C)C)c1 89689147 RPKKUWSVJDDMPB-INIZCTEOSA-N 310.441 3.590 0 40 DHAB Cc1ccc(C)c(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 95440196 YBIBXFRXPKTPES-VFNWGFHPSA-N 301.455 3.892 0 40 DHAB COc1ccc(-c2nnc(NCc3ccc(F)c(C)c3)o2)cc1 95943640 AMJSWSMAQYYCAF-UHFFFAOYSA-N 313.332 3.805 0 40 DHAB CO[C@@H](CNC(=O)c1ccccc1Cl)c1ccc(C)s1 96104677 XJTPGPPKMNHEEL-ZDUSSCGKSA-N 309.818 3.827 0 40 DHAB C[C@@H](c1ccncc1)N(C)C(=O)NCCOC1CCCCCC1 96411459 GNJUSSAAXQKWLV-HNNXBMFYSA-N 319.449 3.523 0 40 DHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2c(C)noc2C)o1 96433149 BSURQAHRYSNBPC-BDJLRTHQSA-N 316.401 3.735 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(C)CC(=O)CC[C@]34C)[C@]1(O)CCC2=O 118915105 BFCOSNMGHLCEIQ-TZGIUIGCSA-N 318.457 3.672 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)c2cc3ccccc3o2)cc1 219947884 LAROFRCHMQXQHM-CQSZACIVSA-N 309.365 3.939 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 225629300 CNWSKHADMGEPPT-UHFFFAOYSA-N 309.409 3.894 0 40 DHAB COc1ccc(-c2nc3cnccc3o2)cc1Br 226281579 YHCJUOOIUQNOKH-UHFFFAOYSA-N 305.131 3.661 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 253473938 ZYTZWQFHAOSDHY-KBOKABMXSA-N 311.337 3.543 0 40 DHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)[nH]1 260769234 KPWJNUCQURHGGQ-HFBAOOFYSA-N 312.442 3.616 0 40 DHAB CCc1ccc([C@H]2CN(C(=O)c3ccc(C)cc3C)CCN2)cc1 505517987 YINZXSGRBDTYGX-HXUWFJFHSA-N 322.452 3.653 0 40 DHAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)C3=CC[C@@]21C 514278512 SRCLPJHLUTVQMM-FYQPLNBISA-N 314.425 3.513 0 40 DHAB Cc1cc([C@H](O)CNC(=O)c2cccc3ccccc23)c(C)o1 1565519422 HMTXNLPSPHDCQR-GOSISDBHSA-N 309.365 3.513 0 40 DHAB Cc1cccc(OC[C@@]2(O)CCCN(C3CCCCC3)C2)c1 1615140263 FQNFSKMGFYJZOX-LJQANCHMSA-N 303.446 3.533 0 40 DHAB Cn1cc([C@H]2CCCCN2c2nc3c(F)cccc3s2)cn1 1775975795 OEVLEMXYDXDSTJ-CYBMUJFWSA-N 316.405 3.901 0 40 DHAB CCN(C(=O)C1CCCCC1)c1nnc(-c2cccnc2)s1 1356793 YDVDNNQOLPJCPA-UHFFFAOYSA-N 316.430 3.533 0 40 DHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 1385916 ZFOCXIWZYQODRG-INIZCTEOSA-N 311.360 3.829 0 40 DHAB Cc1c([C@H](C)OC(=O)Nc2ccc(F)cc2)sc2ncnn12 1405007 SHAOLBXTAVMJQO-VIFPVBQESA-N 320.349 3.548 0 40 DHAB CC1(C)C[C@@]2(C)C[C@@H]1C[C@H]2OC(=O)c1ccccc1C(=O)O 2133118 ZSKLSZZSGZABIR-UCMVZMLTSA-N 302.370 3.756 0 40 DHAB Cc1ccccc1N1C[C@@](O)(c2ccccc2)[N+]2=C1CCCCC2 2974633 ODAHCXRWMZFEPH-OAQYLSRUSA-N 321.444 3.645 0 40 DHAB COc1ccc(C(=O)CSc2nc(C)nc3ccccc23)cc1 4240873 HBEQOBBFJNRZOX-UHFFFAOYSA-N 324.405 3.922 0 40 DHAB Cc1ccccc1Nc1c(-c2ccccn2)nc2cnccn12 4597404 APRPEWFPFBOOGC-UHFFFAOYSA-N 301.353 3.843 0 40 DHAB O=C(CCC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 4670600 YPNXMDVHZZTQNR-UHFFFAOYSA-N 308.809 3.508 0 40 DHAB Cc1cccc(OCc2nnc(S)n2-c2ccccc2C)c1 5687816 CPAYDZJVZOLVBO-UHFFFAOYSA-N 311.410 3.752 0 40 DHAB Cn1nnnc1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 5742596 WZLZHZWJSWGYIM-AWEZNQCLSA-N 316.817 3.745 0 40 DHAB Cc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1 5814230 MMPZPDZWSXHYRO-UHFFFAOYSA-N 305.377 3.957 0 40 DHAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1cccnc1 7180323 DWHRADSDWPOXSU-GFCCVEGCSA-N 311.410 3.501 0 40 DHAB CSc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 7940667 YFOFMUUZALEXHD-UHFFFAOYSA-N 309.394 3.847 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1cccc([C@@H](C)O)c1 8383025 DWFFJKDSXXUYOK-SNVBAGLBSA-N 305.761 3.654 0 40 DHAB Fc1ccccc1Cc1nnc2sc(-c3cccs3)nn12 8715037 BXJFDJIOZZABEI-UHFFFAOYSA-N 316.386 3.644 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccco1 9544640 VINSBTTULTXAMC-UHFFFAOYSA-N 316.357 3.781 0 40 DHAB CCc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11155134 OMSZFBGYGMGOLM-GOSISDBHSA-N 312.388 3.820 0 40 DHAB COc1ccc(NC(=O)C2=Cc3ccccc3OC=C2)c(OC)c1 12274549 OCHSEDPMUFBGAR-UHFFFAOYSA-N 323.348 3.632 0 40 DHAB COc1ccc2c(-c3ccccc3)cc3nnc(S)n3c2c1 12505985 VXUXCFHIUTZZFI-UHFFFAOYSA-N 307.378 3.847 0 40 DHAB COc1ccc(/C=C/C(=O)NCCCc2ccc(C)cc2)cc1 13672708 PBBAKZWBJHSPCS-SDNWHVSQSA-N 309.409 3.766 0 40 DHAB O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(C1CC1)C3 13690351 FBIUCUVQYDHCBR-UHFFFAOYSA-N 319.360 3.774 0 40 DHAB biogenic Cc1cccc(-c2nnc(CSc3nnc(C(C)C)o3)o2)c1 20034593 DVHURQGTMOOWFI-UHFFFAOYSA-N 316.386 3.844 0 40 DHAB Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 20432762 YHLOLPKOYIXRDP-UHFFFAOYSA-N 317.142 3.872 0 40 DHAB CC(=O)c1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)s1 24887098 ZKXDYUMMKSOVFB-UHFFFAOYSA-N 311.366 3.593 0 40 DHAB Cc1ccc(NCC(=O)N[C@H](C)c2ccc(F)cc2)cc1F 25601594 DRZBRXPFDBSBAC-GFCCVEGCSA-N 304.340 3.563 0 40 DHAB CCn1c(SCc2ccccc2)nc2ccsc2c1=O 27818048 AJEISSSSDFXHSI-UHFFFAOYSA-N 302.424 3.770 0 40 DHAB CCOc1ccc(C(=O)Nc2cc(C)nn2C2CCCC2)cc1 28242849 AAZQIBJAFLDJPG-UHFFFAOYSA-N 313.401 3.958 0 40 DHAB Cc1cc(N)nc(SCc2csc(-c3ccc(C)o3)n2)n1 32328225 YZNLRBMLIJIIDD-UHFFFAOYSA-N 318.427 3.684 0 40 DHAB Cc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)nc1 32914189 XXKXIVZMZSCDQT-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB O=C(Cn1ccc2ccccc21)Nc1cccc(-c2cc[nH]n2)c1 38490080 KHVBWPRJORHCJL-UHFFFAOYSA-N 316.364 3.670 0 40 DHAB COc1ccc2oc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2c1 41306371 CGJOBIDCKKGKFF-UHFFFAOYSA-N 324.336 3.652 0 40 DHAB Nc1ccccc1-c1nc(-c2ccccc2Br)no1 43560584 CSUIPSHBZJZOKM-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB CCN(Cc1ccccc1)C(=O)Nc1ccccc1-n1cccn1 48152317 QDUDTBJDVAQLBO-UHFFFAOYSA-N 320.396 3.926 0 40 DHAB O=C(O)c1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1 49168851 BYIMNHQLXPOGQV-HNNXBMFYSA-N 322.364 3.516 0 40 DHAB biogenic,in-vitro CC(C)(NS(=O)(=O)c1ccccc1Cl)c1ccccc1 49334505 JTWYTDOHZLOUOJ-UHFFFAOYSA-N 309.818 3.554 0 40 DHAB CC(C)Cc1ccc([C@H](C)NC(=O)CCCn2cccn2)cc1 57994235 FYDBZDZJMGMJTF-INIZCTEOSA-N 313.445 3.739 0 40 DHAB Cc1c(C(=O)Nc2nnc(C3CC3)s2)oc2ccc(F)cc12 60553920 OUWDNCZYKKEGQH-UHFFFAOYSA-N 317.345 3.862 0 40 DHAB CCCOc1ccc(Br)cc1/C=C/C(=O)OCC 62715816 WMNQSOJHFBFBPH-VMPITWQZSA-N 313.191 3.814 0 40 DHAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccon1 67709110 GYIUQJAJTJKGQI-UHFFFAOYSA-N 312.300 3.645 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)CCc1ccccn1 68733141 WASJBMJPKJNSNH-HNNXBMFYSA-N 300.427 3.612 0 40 DHAB Cc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3CCCCO3)C2)n1 72298761 IAHFYGUCOZCAKB-CABCVRRESA-N 322.474 3.507 0 40 DHAB Cc1cn[nH]c1[C@]1(C)CCCN(C(=O)c2ccc(Cl)cc2)C1 72388845 VKIQQDWVHJSDNA-QGZVFWFLSA-N 317.820 3.565 0 40 DHAB Cc1nc(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n[nH]1 75582558 ZHFVDUZZRNVRLO-UHFFFAOYSA-N 324.350 3.512 0 40 DHAB CCc1cc(CNC(=O)Nc2cccc([C@H](C)SC)c2)[nH]n1 79028863 ZBRCDVIRGXYHIG-NSHDSACASA-N 318.446 3.718 0 40 DHAB CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C(=O)OC)s1 84721681 FXHYPQJUDALXKX-NWDGAFQWSA-N 309.431 3.576 0 40 DHAB CCc1sc(C(=O)N2CCN(C3CCCCC3)CC2)cc1C 89280289 PUKZXCPIBXSHPM-UHFFFAOYSA-N 320.502 3.709 0 40 DHAB O=C(O)CO[C@@H](c1c(Cl)cccc1Cl)C(F)(F)F 95096397 LZQYHDSUKVOTGN-VIFPVBQESA-N 303.063 3.698 0 40 DHAB C[C@H](CNC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccsc1 95426210 BKYVSDNIXIYOQQ-UKRRQHHQSA-N 322.474 3.643 0 40 DHAB Cn1cc([C@@H](NCc2ccc(F)cc2)c2cccc(F)c2)cn1 95427005 GNZIZVDCFNFBRP-SFHVURJKSA-N 313.351 3.578 0 40 DHAB FC(F)(F)C(F)(F)/C(Br)=C/Br 95917618 CSEJQVAZQBPAOD-UPHRSURJSA-N 303.850 3.815 0 40 DHAB O=C(Nc1cccc(SCC2CCCC2)c1)N1CC[C@H](O)C1 96009327 FMUOIVSSIUBUGF-HNNXBMFYSA-N 320.458 3.567 0 40 DHAB C[C@@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1ccncc1 97084023 AHEPBDNDAXTVCB-LLVKDONJSA-N 314.776 3.636 0 40 DHAB CC(=O)c1cc(Br)cc(F)c1OCc1cccnc1 97085598 AOUBMWJBMCLDOI-UHFFFAOYSA-N 324.149 3.765 0 40 DHAB Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(F)c(Cl)c1F 97232785 USQXVEALXQLSPZ-LURJTMIESA-N 314.719 3.714 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1cccc(Cl)c1 101348360 WSBSSVGLNHWXGQ-HNNXBMFYSA-N 312.756 3.562 0 40 DHAB CC[C@@H](c1ccccc1)c1nc(-c2cccc(C(=O)O)c2)no1 113025405 GGQJDTHMZZQPGA-HNNXBMFYSA-N 308.337 3.977 0 40 DHAB CCc1onc(C)c1NC(=O)NCc1cccc(CSC)c1 188541918 KSNYTQVOBKHDCJ-UHFFFAOYSA-N 319.430 3.730 0 40 DHAB NC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 216920353 SEOQUTZUVWJGRT-UHFFFAOYSA-N 306.152 3.636 0 40 DHAB COC(=O)[C@H](C(C)C)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223212791 NCXCRHORZUETBD-GUYCJALGSA-N 319.445 3.985 0 40 DHAB O=C(NCCSCc1ccco1)c1ccc(Cl)cc1F 223294968 VVRRCKLUGDEBIS-UHFFFAOYSA-N 313.781 3.735 0 40 DHAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1 224281785 JUEHDPGSAZXXPV-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)COc1cccc2c1CCCC2 225358771 NFFFLBFUJOZARG-HNNXBMFYSA-N 321.420 3.922 0 40 DHAB Nc1ccc(Nc2ccc(Cl)cc2)c(C(=O)N2CCCC2)c1 225470990 IBOFLQBIRHUSFT-UHFFFAOYSA-N 315.804 3.902 0 40 DHAB Cc1sc2ncnc(NC[C@H](C)N3CCC[C@@H](C)C3)c2c1C 227886702 PDLMYBBSGDMRDG-NEPJUHHUSA-N 318.490 3.840 0 40 DHAB COC(=O)c1ccc2nc(-c3ccnc4ccccc34)n(C)c2c1 544057000 YGYQIBLUMJBICA-UHFFFAOYSA-N 317.348 3.575 0 40 DHAB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 564649425 QRGAEWUNXZTFLB-SCRDCRAPSA-N 317.385 3.547 0 40 DHAB Cc1cccc(C2(C(=O)N3CC[C@H](OC(F)F)C3)CCCC2)c1 585080596 FMGNJTMEIUBOPB-HNNXBMFYSA-N 323.383 3.647 0 40 DHAB O=C(O)[C@H]1Cc2ccccc2N(C(=O)CCCC2CCCC2)C1 1601864907 BIKAZEFSEYZRGR-INIZCTEOSA-N 315.413 3.637 0 40 DHAB CC(=O)Nc1c[nH]c2ccoc2c1=N[C@H]1CCCC(C)(C)C1 2362804239 ATCYJABJQBSCHH-LBPRGKRZSA-N 301.390 3.589 0 40 DHAB CC[C@@](C)(C(=O)NC1CCCC1)N(C(C)=O)c1ccc(C)cc1 246475 IYCQPHPJQYJBJL-IBGZPJMESA-N 316.445 3.575 0 40 DHAB O=C1CS[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1F 423913 ZHRROMSKXRYYOF-OAHLLOKOSA-N 309.312 3.883 0 40 DHAB Cc1ccc(-c2csc(NC(=O)C(F)(F)F)n2)c(C)c1 483630 TXRBQNJSCYNZKI-UHFFFAOYSA-N 300.305 3.928 0 40 DHAB CCCCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2ccccc21 2242112 KXBFUHMSIPWBJR-HXUWFJFHSA-N 320.392 3.551 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2F)cc1C 3346668 AYFNNEGKDPUMET-UHFFFAOYSA-N 300.377 3.513 0 40 DHAB Cc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 3554500 PVBRLWFTHHICMT-UHFFFAOYSA-N 307.315 3.873 0 40 DHAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C 4283601 HBAONALTHRGNPK-NHYWBVRUSA-N 323.820 3.616 0 40 DHAB COC(=O)c1ccc2c(c1)C[C@]1(C2)Cc2ccc3c(c2C1)CCC3 6385215 OYUWKPJKIIXVBL-QFIPXVFZSA-N 318.416 3.846 0 40 DHAB CC(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 6511708 KOBVSEIZNRYRFN-SECBINFHSA-N 308.472 3.901 0 40 DHAB Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1F 7252575 SJSRAOVDZWBSEX-UHFFFAOYSA-N 319.405 3.580 0 40 DHAB O=C(Nc1cc(Cl)ccc1N1CCCCCC1)[C@@H]1CCCO1 7985171 AKWJSSREQLILJD-INIZCTEOSA-N 322.836 3.838 0 40 DHAB O=Cc1cccc(OCc2nc(-c3cccc(Cl)c3)no2)c1 8006828 QSASLZSAMSTPQG-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB O=C(CN(C1=NCCCS1)c1ccccc1)c1cccs1 8436132 XAIIBMWEXGEZPJ-UHFFFAOYSA-N 316.451 3.930 0 40 DHAB CC(C)(C)CC(C)(C)NC(=O)c1cc2ccccc2oc1=O 10272022 OLPHJJHTCJBRMJ-UHFFFAOYSA-N 301.386 3.738 0 40 DHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccccc1 10402690 DFWQJUJSILCHHW-CYBMUJFWSA-N 322.412 3.812 0 40 DHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1 10964457 QFAOMWWNSXWBSB-CQSZACIVSA-N 305.349 3.932 0 40 DHAB C[C@H](NC(=O)Cc1cc(-c2ccc(F)cc2)on1)c1ccccc1 11693129 FBISKWOQYJSHFS-ZDUSSCGKSA-N 324.355 3.901 0 40 DHAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(F)cc3)ccc2o1 12532712 KNPOWBQQEIENOX-JTQLQIEISA-N 313.332 3.714 0 40 DHAB COc1cc(C2SCCS2)ccc1Oc1ncccn1 12935606 WVADZQDKNBSDRW-UHFFFAOYSA-N 306.412 3.756 0 40 DHAB COc1ccc(C(C)=O)cc1NC(=O)c1ccc(Cl)cc1 13946020 AZBJTRGRIDXWIX-UHFFFAOYSA-N 303.745 3.804 0 40 DHAB C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc23)C1 14111898 VPNDAHHSDDTRQJ-SNVBAGLBSA-N 321.218 3.803 0 40 DHAB CCc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 14255664 CNILAUNKBSOFNK-UHFFFAOYSA-N 303.427 3.975 0 40 DHAB Cc1cc(N(C)Cc2cnn(-c3ccccc3)c2)nc(C(C)C)n1 15140794 HQERQGBBOCLUSM-UHFFFAOYSA-N 321.428 3.731 0 40 DHAB CCSc1nnc(SCc2cn3cccc(C)c3n2)s1 23055230 NYODMORJIZWZDS-UHFFFAOYSA-N 322.484 3.899 0 40 DHAB O=Cc1ccccc1OCc1nc(-c2cccc(Cl)c2)no1 25242805 WISBZCBEYCZJCQ-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB CC[C@H](C(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 27837213 SQUGVPLRLRZKIQ-PXNSSMCTSA-N 322.452 3.823 0 40 DHAB COC(=O)c1cc(Br)ccc1NCc1ccccc1 39951700 CDUZFDBBVFOGDR-UHFFFAOYSA-N 320.186 3.848 0 40 DHAB O=C(Nc1nncs1)N[C@@H](c1ccccc1)C1CCCC1 40150507 YPHLNPKDDNCWJM-ZDUSSCGKSA-N 302.403 3.591 0 40 DHAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc[nH]c1=S 40536033 SBSHDNHEHHUNQV-JTQLQIEISA-N 306.818 3.759 0 40 DHAB CN(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1 40828491 PAAVHVCJPYRNLY-ZIAGYGMSSA-N 315.244 3.596 0 40 DHAB CC(=O)Oc1cccc(C(=O)c2cccc(C(F)(F)F)c2)c1 43209846 IGJZQGRFNHTRNY-UHFFFAOYSA-N 308.255 3.862 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)c(C)c1 44080834 MCNWUHGQHKHTNS-OAHLLOKOSA-N 319.518 3.712 0 40 DHAB Cc1ccc(-c2cc(C(=O)N(C)c3ccc(C)cc3)n[nH]2)cc1 44837860 FCOMVQFVDHDDMT-UHFFFAOYSA-N 305.381 3.970 0 40 DHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1 44902664 MSSSKBVFBHALDD-OAHLLOKOSA-N 321.779 3.953 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cccnc1 45033069 XFOMPOPNYPKNSQ-LBPRGKRZSA-N 303.793 3.638 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)N[C@@H](C)c1ccc(Cl)s1 46597817 PRSDEMAYEGURMX-WDEREUQCSA-N 316.854 3.531 0 40 DHAB COc1ccc(C[C@@H]2CCCN=C2c2cccnc2)c(OC)c1 49808162 ODLOPYOPLAYOCA-HNNXBMFYSA-N 310.397 3.541 0 40 DHAB Cc1nc(Cl)cc(Oc2ccc3c(C)cc(=O)oc3c2)n1 52835152 TVENSMZTQZCNOQ-UHFFFAOYSA-N 302.717 3.646 0 40 DHAB COc1cccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(C)cc2)c1 57010992 TVZOUAFEWGWMPV-RTBURBONSA-N 322.408 3.513 0 40 DHAB CC(=O)Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CO2 58481018 JFOJHWPEHWRSLS-UHFFFAOYSA-N 316.788 3.651 0 40 DHAB CC(=O)c1sc(C2(NC(=O)OC(C)(C)C)CCC2)nc1C 65514513 SAAMOFPGHIWLLM-UHFFFAOYSA-N 310.419 3.558 0 40 DHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2ccccc2)CC1 67179555 UWKBWGMXRFEIBS-MRXNPFEDSA-N 319.408 3.973 0 40 DHAB CC(C)(C)N1CCC(N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 69382001 CALJSIWKZMXBSZ-JSGCOSHPSA-N 306.416 3.960 0 40 DHAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)/C=C/c1ccc(F)cc1 69457888 DGACVWRKPRDLND-QPJJXVBHSA-N 322.343 3.571 0 40 DHAB CCC(CC)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 69571711 XYMNIACQJHFKHU-UHFFFAOYSA-N 300.402 3.745 0 40 DHAB Cc1ncc(CN[C@H]2CCOc3ccccc32)n1-c1ccccc1 72307110 DWEUJRKHYLBJIH-IBGZPJMESA-N 319.408 3.794 0 40 DHAB Cc1ccc2nc(-c3ccc(N)cc3Br)[nH]c2c1 73639292 URVWYAIPQRIEMY-UHFFFAOYSA-N 302.175 3.883 0 40 DHAB CCN(C(=O)CSc1nc(C)c(C)o1)c1ccccc1C 73697359 PLLRBOVDBLPJOO-UHFFFAOYSA-N 304.415 3.745 0 40 DHAB CC(=O)c1cnc(NC(=O)CCc2ccc(Cl)s2)s1 75141256 SHDPPKCVUOKRRX-UHFFFAOYSA-N 314.819 3.632 0 40 DHAB CCO[C@H](C)c1nc(CN(C)C(=O)c2ccsc2)cs1 76066792 MDBZFTBRASVGSF-SNVBAGLBSA-N 310.444 3.574 0 40 DHAB Cc1ncsc1C(=O)N(C)[C@H](c1ccccc1)C(F)(F)F 84065587 SYEJSVQTEMKSFH-GFCCVEGCSA-N 314.332 3.827 0 40 DHAB O=C(N[C@@H]1CCCOc2c1ccc(Cl)c2Cl)N1CCC1 84339168 PUMVXYCEQRYEHD-LLVKDONJSA-N 315.200 3.622 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nc(C(C)(C)C)no2)C1(C)C 84671204 RSEWSAMISPPMLN-YPMHNXCESA-N 306.406 3.649 0 40 DHAB Cc1nn(-c2ccc(-c3ccccc3)cc2)c(C)c1CC(=O)O 85398099 DSCJAKDRUVHJQQ-UHFFFAOYSA-N 306.365 3.783 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N(C)Cc2cc(Cl)cn2C)c(C)o1 89580412 REDQZIBHGZESQD-LLVKDONJSA-N 323.824 3.791 0 40 DHAB C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1nccs1 90916575 ZPSIKNYSGPBYPP-TUKIKUTGSA-N 321.877 3.893 0 40 DHAB Cc1cnccc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 95981991 IGCMWEVHSFYVAP-MNOVXSKESA-N 301.312 3.633 0 40 DHAB c1cc(CN2CCC3(CC2)CO[C@@H](COCC2CC2)C3)cs1 96105964 JZLLFOYLRNKGDX-QGZVFWFLSA-N 321.486 3.546 0 40 DHAB Fc1cc(F)cc(Cc2nc3nccc(-c4ccccc4)n3n2)c1 96345217 KJCLWPQJJRAMDY-UHFFFAOYSA-N 322.318 3.660 0 40 DHAB COc1ncccc1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103393489 JIOWWDZMWRCEMA-VDQHWBOFSA-N 320.820 3.607 0 40 DHAB Cc1nccn1-c1cncc(N2CC[C@H](C)C[C@H]2c2ccco2)n1 110709347 OKPOGFFMQALOOF-ZFWWWQNUSA-N 323.400 3.541 0 40 DHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113950418 MZOINQQNPFQCNL-XYVMCAHJSA-N 301.430 3.766 0 40 DHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)NC1CCCCC1 222577987 KHWWWIKCQBBLPE-UHFFFAOYSA-N 313.376 3.654 0 40 DHAB Cc1ccc2cc(CNc3ccn(CC(F)F)n3)ccc2n1 225464693 RIZKOUUCQFLHDI-UHFFFAOYSA-N 302.328 3.617 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225592410 FRMOZAFBGWBUPL-UHFFFAOYSA-N 318.461 3.926 0 40 DHAB O=C(/C=C/c1ccco1)NCc1cccnc1-c1cccs1 225758929 LMHIVTLUCBLIHH-BQYQJAHWSA-N 310.378 3.733 0 40 DHAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccccc2)n1 225828015 NUKIEVAEWGKWHX-UHFFFAOYSA-N 324.409 3.532 0 40 DHAB O=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1 409149869 TVOHBMKWQPLQJR-OAHLLOKOSA-N 315.369 3.632 0 40 DHAB CC(C)(C)OC(=O)N1CCN(c2ccc3ccsc3c2)CC1 1857793802 XUFIOCRUMYAVCK-UHFFFAOYSA-N 318.442 3.958 0 40 DHAB Fc1cc(Nc2ncnc3c2ncn3C2CC2)ccc1Cl 1888910645 JPCYHGAPYPQJCD-UHFFFAOYSA-N 303.728 3.697 0 40 DHAB OCC1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1 1889108839 HNBURGGRTZPIDE-UHFFFAOYSA-N 316.348 3.524 0 40 DHAB CCC(=O)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 208861 VLGICUIPBURRMU-UHFFFAOYSA-N 302.186 3.860 0 40 DHAB O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccccc1 354028 MWGOFRFIJLXDEW-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CCN1C(=O)c2ccc(-c3nc4ccccc4s3)cc2C1=O 367755 DHYCQZRHCXNFGI-UHFFFAOYSA-N 308.362 3.579 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)s2)cc1 1330276 SHNPENRQKVTWIC-SECBINFHSA-N 307.444 3.528 0 40 DHAB CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1[C@H]2O 1618115 AMLZJBJUPQPFNG-OAQYLSRUSA-N 319.404 3.842 0 40 DHAB O=C(CSc1ccc(Cl)cc1)NCCOc1ccccc1 3153522 RCUMLMLAVXAZOY-UHFFFAOYSA-N 321.829 3.627 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H]1CCCc2ccccc21 3333201 XSZLXQMMASJQJP-QXLXQBSBSA-N 321.376 3.622 0 40 DHAB CCc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1 3373079 RGVGWWPFYQDKEG-SFQUDFHCSA-N 307.349 3.602 0 40 DHAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(Cl)cc1 3384312 UYHKKZJWXGTSRP-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB CCOc1ccc(NC(=O)/C=C/c2cnc3ccccc3n2)cc1 3432301 GXVRNHJCHOVXRJ-FMIVXFBMSA-N 319.364 3.680 0 40 DHAB Cc1ccc(CN2C(=O)S[C@@H](Nc3ccccc3)C2=O)cc1 4151303 WMLJWOVTJNPGAJ-OAHLLOKOSA-N 312.394 3.629 0 40 DHAB Cc1cc(C)nc(SCc2nc3ccccn3c2Cl)n1 4807343 VUTPZJDGOLKPRV-UHFFFAOYSA-N 304.806 3.687 0 40 DHAB CCc1ccc(-n2c(N3CCCC3)nc3ccccc3c2=O)cc1 5026041 DONAAFLJICBOGK-UHFFFAOYSA-N 319.408 3.548 0 40 DHAB Cc1ccc(-c2nnc3n2N=C(c2ccccc2C)CS3)cc1 5561381 XIKIZEPNHUMQGX-UHFFFAOYSA-N 320.421 3.920 0 40 DHAB COc1ccc2c(O)c(Oc3ccc(Cl)cc3)c(=O)oc2c1 6424499 HRZYIVPBPDIVMV-UHFFFAOYSA-N 318.712 3.953 0 40 DHAB Cc1cccc(NC(=S)N(C)Cc2ccc(Cl)nc2)c1 6755788 CDIGGNACUYITEM-UHFFFAOYSA-N 305.834 3.872 0 40 DHAB c1cncc(-c2nc(NC3CC3)c3c4c(sc3n2)CCC4)c1 6784316 BBCOYGYHPBBGNH-UHFFFAOYSA-N 308.410 3.816 0 40 DHAB COc1ccccc1CC(=O)N[C@H]1CCSc2ccccc21 7269242 BPIVTOQRFAUGQN-HNNXBMFYSA-N 313.422 3.591 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383019 BOVWXTHFLWQBLD-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB C[C@H]1CCCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1 7486595 BDROAGWGPAMHAE-NSHDSACASA-N 300.324 3.518 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cncn1-c1ccccc1 7738174 MYMCQTDXICKGFC-UHFFFAOYSA-N 303.365 3.613 0 40 DHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 7928337 ATUPNESVFMOOGY-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CCCCN(C)Cc1c(C)nc2ccc(N(C)C)cc2c1O 8717512 USTHSSQHMKBUJB-UHFFFAOYSA-N 301.434 3.547 0 40 DHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116110 AOFKMPZTIVAHCC-KRWDZBQOSA-N 323.371 3.608 0 40 DHAB Cc1cc([C@H]2CCCCCN2C(=O)c2ccccc2F)no1 12185806 LSAPKYBGVZRXHJ-MRXNPFEDSA-N 302.349 3.880 0 40 DHAB Cc1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1C 12978534 SBPVXPDHDJMYPO-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB COc1ccc(SCC(=O)NCCC2=CCCCC2)cc1 15519630 RFHNNQVNLGKGKZ-UHFFFAOYSA-N 305.443 3.794 0 40 DHAB CCC(=O)c1c(OC(C)=O)c2ccccc2c2oc(=O)sc12 16610022 NSEQNJSJIOGHEW-UHFFFAOYSA-N 316.334 3.526 0 40 DHAB CC(C)CNC(=O)c1cc(-c2cccnc2)nc2ccccc12 17127690 RIOKHAKSTGUEEU-UHFFFAOYSA-N 305.381 3.683 0 40 DHAB CCC(=O)N1CCCc2ccc(NC(=O)c3cccs3)cc21 17247894 GTZMJLVKIBNGCX-UHFFFAOYSA-N 314.410 3.690 0 40 DHAB O=C(NCc1cccs1)c1cccnc1NC1CCCCC1 20098068 DOFZQQNVCNFSHZ-UHFFFAOYSA-N 315.442 3.818 0 40 DHAB O=C(NCc1ccccc1Cl)c1noc2c1CCCCC2 20495110 RIBNFMXJSKFWGK-UHFFFAOYSA-N 304.777 3.527 0 40 DHAB Cc1ccc(C2=NN=C(NCCc3cccs3)SC2)s1 22356114 WQPNCXNHPHVPDC-UHFFFAOYSA-N 321.496 3.757 0 40 DHAB CC(C)(C)c1ccc(OCCNC(=O)Cc2ccccc2)cc1 24650663 LERVGMNUGGDREA-UHFFFAOYSA-N 311.425 3.722 0 40 DHAB COc1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 25312000 XYZMJGMIIUVGER-KGLIPLIRSA-N 303.308 3.716 0 40 DHAB COc1ccccc1C1=N/C(=C\c2ccc([C@@H]3C[C@H]3C)o2)C(=O)O1 25318143 NDLRFSLZRLMBIR-IHIBIECDSA-N 323.348 3.756 0 40 DHAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1C 27740870 PDBAYOCXOGKBAH-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB Cc1occc1C(=O)Nc1ccn(Cc2ccccc2Cl)n1 28224834 NCHGVDHDKYOZQA-UHFFFAOYSA-N 315.760 3.739 0 40 DHAB O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCCCCC1 32765497 PFLUWYBVOLDZDP-UHFFFAOYSA-N 309.413 3.766 0 40 DHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCC(F)(F)F)cc1 32905375 ZSYKABIRGILPFX-UHFFFAOYSA-N 321.298 3.518 0 40 DHAB CCOC(=O)C(=O)[C@@H](Cc1ccccc1)Sc1ccccc1 35995247 OAULQTBVHOENGR-MRXNPFEDSA-N 314.406 3.522 0 40 DHAB N[C@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1 37799817 QCGWXFZNCUJJHK-HUUCEWRRSA-N 300.427 3.502 0 40 DHAB COC(=O)C(C)(C)[C@@H]1c2ccccc2C=C[C@H]1C(=O)C(C)C 38337865 BUFRYSGUOPRCSR-HZPDHXFCSA-N 300.398 3.838 0 40 DHAB O=C(NCC1(c2ccccc2)CCC1)c1cc(-c2ccco2)[nH]n1 40060281 UADGYILALMRCMQ-UHFFFAOYSA-N 321.380 3.521 0 40 DHAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(F)cc3)cc2)n1 40107364 IZZIKLJGEQPVSK-UHFFFAOYSA-N 323.371 3.809 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1F 40146222 GRAAHAAEVKKDCT-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB O=C(Nc1cccc(NC(=O)[C@H]2CC=CCC2)c1)c1cccnc1 40509628 YSZGRNXFOVWPHY-AWEZNQCLSA-N 321.380 3.629 0 40 DHAB CCOCc1ccccc1NC(=O)NCCc1ccc(F)cc1 52468860 MXJDMGPDGGWCTN-UHFFFAOYSA-N 316.376 3.726 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)Cc2noc3ccccc23)o1 53194085 MFBDQRRCKNMPIS-SWLSCSKDSA-N 324.380 3.745 0 40 DHAB c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)cc1 57605260 NQWYEYFGOSSLKQ-UHFFFAOYSA-N 303.409 3.557 0 40 DHAB COC(=O)c1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)o1 57620271 RYLDNNUSVSLWQA-MRXNPFEDSA-N 319.788 3.961 0 40 DHAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)[C@H]1CCOC1 58309127 MDGRBKRVPBBTPC-SWLSCSKDSA-N 321.829 3.644 0 40 DHAB COC(=O)Nc1cc(NC(=O)CCc2ccccc2)ccc1F 66489649 WYECPSCHALBHSX-UHFFFAOYSA-N 316.332 3.575 0 40 DHAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 67056806 IOXJOAVHNSSCJK-QZTJIDSGSA-N 319.420 3.593 0 40 DHAB Cc1cnc(COc2ccc3c(C(C)C)cc(=O)oc3c2)cn1 69918454 CDYRMRBBCGXROW-UHFFFAOYSA-N 310.353 3.594 0 40 DHAB COc1ccc(NC2=NC(=O)S/C2=C\c2cccnc2)cc1 71285121 VXRUAMPYSNWHAH-ZROIWOOFSA-N 311.366 3.809 0 40 DHAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(C(N)=O)c1 71761778 UEIKTGNLEGHDAC-UHFFFAOYSA-N 319.817 3.556 0 40 DHAB CCc1ncc(CN2CCc3c([nH]c4ccccc34)[C@@H]2C)cn1 72391470 TYJXUYPIUSQMHW-ZDUSSCGKSA-N 306.413 3.640 0 40 DHAB Cc1nc(CN(Cc2ccccc2F)C2CCOCC2)cs1 76727744 SSVFRYZCQRAJGR-UHFFFAOYSA-N 320.433 3.772 0 40 DHAB CN(CC1CCC1)C(=O)N[C@@H](c1ccccn1)C1CCCC1 76785590 TWTWFFNTVPUYEK-QGZVFWFLSA-N 301.434 3.754 0 40 DHAB CN(CC1CCC1)C(=O)N[C@H](c1ccccn1)C1CCCC1 76785592 TWTWFFNTVPUYEK-KRWDZBQOSA-N 301.434 3.754 0 40 DHAB CCc1cc(Nc2ccc(Oc3ccc(C)nn3)cc2)ncn1 78358430 NPAZCFQGEOXECZ-UHFFFAOYSA-N 307.357 3.673 0 40 DHAB Cc1cccc2ncnc(N(C)[C@H](C)Cc3ccc(O)cc3)c12 79099075 ILZZCQNJCMKJPV-CQSZACIVSA-N 307.397 3.711 0 40 DHAB NNc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1 89263546 TVKCLANUEUOGCR-UHFFFAOYSA-N 302.790 3.811 0 40 DHAB O=C(c1coc(Br)c1)N1CC=C(c2ccccc2)C1 95465013 JIJAJERUPOWXBX-UHFFFAOYSA-N 318.170 3.582 0 40 DHAB O[C@@H]1CCCC[C@@H]1Oc1ccc(NC2CCSCC2)cc1 95964702 XPZSHSSXYMNETI-SJORKVTESA-N 307.459 3.676 0 40 DHAB CS[C@H]1CCC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 96409382 NJBUSDVSTCTTFU-ZJUUUORDSA-N 301.814 3.883 0 40 DHAB c1ccc2c(CCCN3CCC(n4cncn4)CC3)cccc2c1 96412950 GTOCMPABHWYTHO-UHFFFAOYSA-N 320.440 3.701 0 40 DHAB Cc1ccc(C[C@H](C)NC(=O)N(C)[C@@H](C)c2ccccn2)s1 96415583 XONAYBRHUURQFK-JSGCOSHPSA-N 317.458 3.785 0 40 DHAB O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@@H]1C[C@H]1c1ccco1 106631285 UMGYCEPRKDSVPE-YRGRVCCFSA-N 317.772 3.677 0 40 DHAB CC1(CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)CCCC1 108754207 AVSGTPJVAXKDAP-UHFFFAOYSA-N 319.788 3.757 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(F)cc1 113970020 CMVPRKRFXUBHSD-QGZVFWFLSA-N 315.388 3.916 0 40 DHAB CCc1ccc(O[C@H](CC)C(=O)N2CCc3ccccc32)cc1 222890406 CEAKJYHRPGANSV-LJQANCHMSA-N 309.409 3.996 0 40 DHAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)o1 222948114 NOUFGVLWYDECGM-HZPDHXFCSA-N 315.442 3.756 0 40 DHAB S=C(NCC1(c2ccccc2)CCCC1)Nc1cccnc1 223972500 HPDYEHPKNZLRCH-UHFFFAOYSA-N 311.454 3.880 0 40 DHAB CCc1ccc(OCCNC(=O)Cc2ccc(C)c(C)c2)cc1 224239833 HGFMWVZIMYZFNG-UHFFFAOYSA-N 311.425 3.604 0 40 DHAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(F)c2)c1 224958280 ZWMTWZSBNTUFEG-UHFFFAOYSA-N 315.388 3.976 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)c(C)c1 225552373 XFGMJEPYBQLYRC-UHFFFAOYSA-N 307.444 3.908 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(C)cc1 225605170 BQMLFJNDMOKSEA-KRWDZBQOSA-N 321.417 3.872 0 40 DHAB CCc1ccc(NC(=O)N(C)Cc2nnc(C)s2)cc1CC 585101360 BKSLBDNCCPHSKC-UHFFFAOYSA-N 318.446 3.635 0 40 DHAB O=C(c1nccc2ccccc12)N1COCC[C@H]1c1ccccc1 1597936924 LUXZOOUXOYVCRV-SFHVURJKSA-N 318.376 3.796 0 40 DHAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(F)cc3)nc2C1 204287 GQCJNILKEQKOHP-UHFFFAOYSA-N 318.373 3.690 0 40 DHAB Cc1cccc(-c2nnc(SCc3ccc(C)c(C)c3)n2N)c1 528437 SSIJHFSNCMLDCE-UHFFFAOYSA-N 324.453 3.876 0 40 DHAB COc1cccc(-c2nn3c(C4CCCCC4)nnc3s2)c1 530611 BDCBJDLCROMROX-UHFFFAOYSA-N 314.414 3.909 0 40 DHAB O=C(Nc1ccc2nccnc2c1)c1cccc(C(F)(F)F)c1 1399126 UPNHFLHYNHPRKE-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)cc1 1461460 YJAIIISZRGOVCK-INIZCTEOSA-N 323.392 3.570 0 40 DHAB CC1=CC[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 1513123 CKCAAVSMPGZWFA-MNOVXSKESA-N 310.180 3.839 0 40 DHAB O=C1c2ccccc2C(=O)N1CCCSc1ccc(F)cc1 1705562 OXCSKNDGWHIRNR-UHFFFAOYSA-N 315.369 3.604 0 40 DHAB CCc1ccc(OCCCn2c(CO)nc3ccccc32)cc1 1926881 ZHEVSGYCBUNQHO-UHFFFAOYSA-N 310.397 3.560 0 40 DHAB O=S(=O)(Nc1ccccc1N1CCCCC1)c1cccs1 4333960 ZAIZNMNRKPPKHF-UHFFFAOYSA-N 322.455 3.539 0 40 DHAB O=C(CSCc1ccccc1)NCCSCc1ccco1 4364814 FCADIUZSTBRXHF-UHFFFAOYSA-N 321.467 3.562 0 40 DHAB CCCOc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1 4475990 VKPHDMBIGJWHND-UHFFFAOYSA-N 309.365 3.513 0 40 DHAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccco2)N3)C1 4543284 SPSULWZFEMMPFP-SSXGSKAJSA-N 314.410 3.661 0 40 DHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCC1=CCCCC1 4672599 YQUXCUZGAJGGIB-UHFFFAOYSA-N 320.820 3.594 0 40 DHAB C[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1 4722520 MBPTZGHRZQEROG-HNNXBMFYSA-N 322.408 3.811 0 40 DHAB CCC(=O)N(Cc1cccs1)C1CC(C)(C)NC(C)(C)C1 4968458 ZBWQKFRPOIYVNJ-UHFFFAOYSA-N 308.491 3.796 0 40 DHAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 5121339 DOPURWJXFKEFCS-UHFFFAOYSA-N 317.410 3.813 0 40 DHAB CCCCCNC(=O)c1ccc(OCc2c(C)noc2C)cc1 5703556 AOJCGBISMOUKBX-UHFFFAOYSA-N 316.401 3.790 0 40 DHAB c1ccc(NNN2N[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 5846777 UEVZHRAFNXLDOE-PMACEKPBSA-N 316.408 3.821 0 40 DHAB Cc1ccc(NC(=O)COc2cccc3cccnc23)c(C)c1 6127985 BWYKCDZAFBGZAX-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(F)cc1 6320903 ZAWFWCSINCOYFF-UHFFFAOYSA-N 320.172 3.933 0 40 DHAB COc1cc(Cl)c(C(=S)N2CCC(C)CC2)cc1OC 6655130 ISIOARSCPOPNEN-UHFFFAOYSA-N 313.850 3.765 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1cncn1-c1ccccc1 6657455 XTMVZDJKNAQAGP-SFHVURJKSA-N 317.392 3.680 0 40 DHAB CCn1nnnc1NCc1ccc(-c2cccc(Cl)c2C)o1 7602281 NLRDYMSGAHELAB-UHFFFAOYSA-N 317.780 3.527 0 40 DHAB COC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 8113267 ZZDJFZHYNOFIMH-UHFFFAOYSA-N 309.365 3.534 0 40 DHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1cccc(F)c1 8320665 OBFZXUMRTOXFMF-CQSZACIVSA-N 304.390 3.663 0 40 DHAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)c1ccc(F)cc1 8748975 IZIAAWOLXUHBSP-LLVKDONJSA-N 314.389 3.870 0 40 DHAB CC[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccc(F)cc1 12199948 LXPQQGROJQVJLX-OAHLLOKOSA-N 315.392 3.794 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 12550765 BQOKSYOCQSSRKV-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCc2ccccc21 12941644 UIKVLWZFNLFABE-MRXNPFEDSA-N 315.800 3.831 0 40 DHAB CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 13005616 DGTFQSDFTTYGMD-SCLBCKFNSA-N 323.392 3.669 0 40 DHAB CC(C)COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 13094661 IBVMBLIVUXPNRO-UHFFFAOYSA-N 313.353 3.672 0 40 DHAB Cc1cccc2nc(CSc3nncn3-c3ccccc3)cn12 13116096 KRJLKWLFQOXWBR-UHFFFAOYSA-N 321.409 3.516 0 40 DHAB COc1cccc([C@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2)c1 13131742 GOKQIVPYTRFBLZ-MSOLQXFVSA-N 320.396 3.741 0 40 DHAB CCCCCC(=O)Nc1cccc(NC(=O)c2ccncc2)c1 14559275 YMQHAVWCHOHRRZ-UHFFFAOYSA-N 311.385 3.853 0 40 DHAB S=C(Nc1ccc2c(c1)OCCO2)NC1CCCCCCC1 17450060 BCLRLXUICVVMNJ-UHFFFAOYSA-N 320.458 3.857 0 40 DHAB O=C(Cc1ccccn1)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373830 XKEGCBQWPRMIQS-YHELAOLJSA-N 320.436 3.713 0 40 DHAB CCCCc1ncc(CN[C@H](C)c2ccc(OC)c(F)c2)cn1 19502377 GJQDHAFXNLKQPA-CYBMUJFWSA-N 317.408 3.818 0 40 DHAB CCCC[C@H](CC)CN1CNC(=S)N(c2ccccc2)C1 20266773 FDRLNFQPZPGUMC-HNNXBMFYSA-N 305.491 3.815 0 40 DHAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@H](C)CC(C)C)c12 23103346 KDZNANWMMIGQQJ-LLVKDONJSA-N 315.417 3.915 0 40 DHAB COc1ccc(-c2nc(NC[C@@H]3CCCO3)sc2C)cc1 23386364 UYBSBJJNDPUFRP-AWEZNQCLSA-N 304.415 3.718 0 40 DHAB CN1c2ccccc2C(=O)N[C@H]1c1ccc(-c2ccc(F)cc2)o1 24098445 UOZNOZJXECFOEX-GOSISDBHSA-N 322.339 3.964 0 40 DHAB Cc1cc2ccccc2n1CC(=O)Nc1ccccc1CN(C)C 24811115 NAVNZLNRUISAGS-UHFFFAOYSA-N 321.424 3.650 0 40 DHAB Cc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)s1 24950919 UDUJDCJSHGUJAF-UHFFFAOYSA-N 310.758 3.796 0 40 DHAB COc1ccc(-c2nnc([C@@H](C)N3CCC[C@@H](C)C3)o2)cc1 25424615 KNYRMWUXLFGZMI-CHWSQXEVSA-N 301.390 3.538 0 40 DHAB COC(=O)/C=C/c1ccc(OCc2ccccc2F)c(OC)c1 29295517 AXCTYLDEIPINNK-CSKARUKUSA-N 316.328 3.600 0 40 DHAB O=C(Nc1ncccc1O)c1ccc(C2SCCS2)cc1 32841699 IOZLWSWLSUBSJM-UHFFFAOYSA-N 318.423 3.518 0 40 DHAB in-vitro COc1ccc(-c2nnc([C@H](C)N3CCC[C@H](C)C3)o2)cc1 36386125 KNYRMWUXLFGZMI-STQMWFEESA-N 301.390 3.538 0 40 DHAB CC(C)Oc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 44195124 HQYIMISSIYTOJJ-ZENOOKHLSA-N 304.459 3.949 0 40 DHAB CC(=O)Nc1cccc(CNC(=O)N(C)C2CCCCCC2)c1 45616783 LFNHEVWRQBHCOS-UHFFFAOYSA-N 317.433 3.509 0 40 DHAB CCc1noc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)n1 48303116 NRLKGHCAZUFCGL-SFHVURJKSA-N 319.408 3.780 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)n[nH]2)cc1 51315553 WJLWBWDVKDYTNT-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB Cc1nnc(CN(Cc2ccccc2C(F)(F)F)C2CC2)o1 52045777 WDSQCJZMPIQHPZ-UHFFFAOYSA-N 311.307 3.561 0 40 DHAB CN(c1ccccc1)c1ccccc1C(=O)N1CCSCC1 58407641 VXEBFUFJBIDAFN-UHFFFAOYSA-N 312.438 3.644 0 40 DHAB COc1ccccc1CNC(=O)NCC[C@@H](C)c1ccccc1 60339310 CLXCRZBNLUINJS-OAHLLOKOSA-N 312.413 3.688 0 40 DHAB Cc1ccoc1C(=O)Nc1ccccc1OCc1cscn1 65476787 UIRCXQTYHBJWPP-UHFFFAOYSA-N 314.366 3.876 0 40 DHAB c1ccc2c(c1)CCC[C@H]2N1CCCN(c2nccs2)CC1 68254842 DIBIIPNEWVIFBK-QGZVFWFLSA-N 313.470 3.733 0 40 DHAB O=C(NC[C@H](O)c1cccc2ccccc12)Nc1cccs1 70636273 NBHQZXXBYWUJJF-HNNXBMFYSA-N 312.394 3.756 0 40 DHAB CN(C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72212633 LYMKLMMRHRNKBX-QGZVFWFLSA-N 309.413 3.515 0 40 DHAB Cc1ncc(CN[C@@H]2CCOc3ccccc32)n1-c1ccccc1 72307109 DWEUJRKHYLBJIH-LJQANCHMSA-N 319.408 3.794 0 40 DHAB CC(=O)Nc1ccc(O[C@@H](C)c2nc(-c3ccccc3)no2)cc1 72313666 NUCFEGMJTJNIMT-LBPRGKRZSA-N 323.352 3.835 0 40 DHAB CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccco2)s1 80542877 MLGIATRKXLJPHS-LLVKDONJSA-N 307.419 3.510 0 40 DHAB Clc1ccc(Cn2cc(NCc3cncs3)cn2)cc1 90200144 VGCCZVPSWRQPBR-UHFFFAOYSA-N 304.806 3.653 0 40 DHAB CC[C@H](C)[C@H](C)NCC(=O)Nc1cc(Cl)ccc1Cl 95459378 JQTVAIJKYXKXIO-UWVGGRQHSA-N 303.233 3.956 0 40 DHAB Cc1cnc(NC(=O)CC2(n3cccc3)CCCCC2)s1 95473461 NBECMOZJIVWOHE-UHFFFAOYSA-N 303.431 3.941 0 40 DHAB COC[C@H]1COCCC12CCN(Cc1cccc(Cl)c1)CC2 96106319 WYBABUBKWPQQPD-INIZCTEOSA-N 323.864 3.605 0 40 DHAB O=C(COc1ccccc1)N[C@H]1CCCc2c1[nH]c1ccccc21 96232536 MSBUEUJYWGCJMK-SFHVURJKSA-N 320.392 3.741 0 40 DHAB COc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 100113429 AWCDBPOHAKXSBK-HLIPFELVSA-N 324.424 3.522 0 40 DHAB CCCc1cc(=O)n2ncc(-c3cccc4ccccc34)c2[nH]1 103329855 ZIUOSIGKYJZGIA-UHFFFAOYSA-N 303.365 3.795 0 40 DHAB O[C@H](c1ccccc1)[C@@H]1[C@@H]([C@H](O)c2ccccc2)[C@H]2C=C[C@H]1C2 104151195 VNZJRGWMHCYVFF-HQZQWKOLSA-N 306.405 3.892 0 40 DHAB CN1C(=O)c2c(c(Nc3ccccc3)c3ccccc3c2O)C1=O 104231595 MDUCRRQIUKCLPZ-UHFFFAOYSA-N 318.332 3.515 0 40 DHAB C[C@@H]1[C@@H](OC[C@H](O)CSc2ccccn2)[C@H]2CC[C@H]1C2(C)C 106220001 TWDXDPVWDPRXGY-DEQQHWRFSA-N 321.486 3.622 0 40 DHAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1cccc(F)c1 107504868 RVJQIQFQXDVDQY-HBUWYVDXSA-N 318.436 3.513 0 40 DHAB CC(=O)NC1CCC(N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 132907558 AUANMRNVDORWKB-XGNXJENSSA-N 323.506 3.539 0 40 DHAB CCOC(=O)c1cn(CC)c2cc(Cl)cc(Cl)c2c1=O 166928319 BDYVCVGGZVWVIW-UHFFFAOYSA-N 314.168 3.505 0 40 DHAB C[C@H](C(=O)Nc1cc([C@@H]2C[C@H]2C)n[nH]1)c1ccc(Cl)s1 176145087 KVVVCNFOLGHXHI-HRDYMLBCSA-N 309.822 3.990 0 40 DHAB O=C(NCc1cccs1)N1CCS[C@H](c2ccco2)CC1 219432845 VEIRMHOKFFHHQQ-AWEZNQCLSA-N 322.455 3.731 0 40 DHAB CCOc1ccccc1CNC(=O)Cc1ccc(Cl)cc1F 223298310 XKMMTVLVFARFNL-UHFFFAOYSA-N 321.779 3.737 0 40 DHAB CCOc1ccc(NC(=O)C(C)(C)Br)cc1C 225595295 HJFZNZJIMHDZNR-UHFFFAOYSA-N 300.196 3.506 0 40 DHAB CC(=O)c1ccc(CCNC(=O)c2ccc(Cl)s2)s1 225670633 YYMJCAJJIYLLNF-UHFFFAOYSA-N 313.831 3.638 0 40 DHAB O=C(NC[C@H](O)c1csc2ccccc12)Nc1cccs1 225699007 LEAXCAAGDAJZPR-LBPRGKRZSA-N 318.423 3.818 0 40 DHAB O=C(O)[C@H]1C[C@H](C(F)(F)F)CC2(C1)SCCCS2 225758018 SMMPSZKHQIZEAF-YUMQZZPRSA-N 300.367 3.616 0 40 DHAB Cc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)nc1 225872610 LLWFUVBCGHKEJR-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB CC(C)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257235357 GXMHMWOCXKXXDZ-OAHLLOKOSA-N 302.393 3.992 0 40 DHAB CC(C)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257269496 MQGIZSMRZPMDAU-AHCXZYCDSA-N 301.430 3.787 0 40 DHAB S=C(NCc1ccccc1Cl)c1ccc2c(c1)OCO2 408576285 WYCRFRJALOMHOF-UHFFFAOYSA-N 305.786 3.534 0 40 DHAB Cc1ccccc1Oc1ccc(I)cn1 685937527 IXNYMGIUHROBQC-UHFFFAOYSA-N 311.122 3.787 0 40 DHAB O=C1Nc2ccccc2N(O)N1c1ccccc1C(F)(F)F 184524 PEOUHZYVKHMIIF-UHFFFAOYSA-N 309.247 3.868 0 40 DHAB O=C(C[C@H](c1ccccc1)c1ccccc1O)NCc1ccco1 543593 DFOLPCGIIWIRME-GOSISDBHSA-N 321.376 3.824 0 40 DHAB CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 557982 XYPHNXSQJDHNJO-UHFFFAOYSA-N 300.324 3.900 0 40 DHAB COc1ccc2c(=O)c(Cc3c[nH]c4ccccc34)coc2c1 1612525 KMRSLMMACDOZHN-UHFFFAOYSA-N 305.333 3.874 0 40 DHAB C[C@@H]1[C@@H](c2ccccc2)OCCN1C(=S)Nc1ccccc1 1740289 KFIHKFWVHAQLAG-PBHICJAKSA-N 312.438 3.845 0 40 DHAB CCCOc1ccc(Cn2c([C@@H](C)O)nc3ccccc32)cc1 1835132 CAUUDWFEMBFHIX-CQSZACIVSA-N 310.397 3.927 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)s2)cc1 4072307 SXMSQIUAENSBDJ-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CC(=O)c1sc(NC(=O)CSc2ccc(F)cc2)nc1C 4496729 RQAGBVNOAFAVDX-UHFFFAOYSA-N 324.402 3.524 0 40 DHAB CC1(C)CCCC2=C1C[C@H]1C(=O)N(c3ccccc3)NC(=O)[C@@H]1C2 4675060 CTYPHZKNPXLIOK-HZPDHXFCSA-N 324.424 3.597 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(Cl)cc2)c1 5474492 UDCRTZXUWBAHBM-UHFFFAOYSA-N 317.816 3.960 0 40 DHAB CC(C)C[C@H]1N=C(O)/C(=C\c2cccc3ccccc23)NC1=O 5817353 SLIPOWVNQZLYHO-PCJMVEANSA-N 308.381 3.682 0 40 DHAB CC(=O)c1s/c(=N\c2ccccc2)n(Cc2ccco2)c1C 6456011 KWORYNBZYMUXCF-ZCXUNETKSA-N 312.394 3.934 0 40 DHAB COc1cccc(C2=NN=C(N[C@@H]3CCCC[C@H]3C)SC2)c1 6468189 HQCXAZBZZBSXHM-IUODEOHRSA-N 317.458 3.670 0 40 DHAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 6851056 VEWZSUWXBOWEHM-XHDPSFHLSA-N 320.845 3.749 0 40 DHAB COCc1c(C(=O)NCc2cccs2)oc2ccccc12 6882236 GQDWSDRVOHUJHI-UHFFFAOYSA-N 301.367 3.571 0 40 DHAB O=C(CCc1nc(-c2cccs2)no1)NC1CCCCCC1 7955081 JYUOFPNODGPETL-UHFFFAOYSA-N 319.430 3.570 0 40 DHAB Cn1c(SCc2nc3ccccc3o2)nnc1-c1ccco1 8186947 KZIRZEWYIBXKLM-UHFFFAOYSA-N 312.354 3.509 0 40 DHAB COc1ccc(C)cc1NC(=O)c1cc(Cl)c2c(c1)OCO2 8304122 LIXMYHXLFIDVMX-UHFFFAOYSA-N 319.744 3.638 0 40 DHAB CCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1 8729552 BPOCBBCSIGUYNK-CSKARUKUSA-N 300.310 3.611 0 40 DHAB CSc1cccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1 9949439 UPDCSBKYEVUGFG-ZBEGNZNMSA-N 315.394 3.576 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccc3ccccc3c2)cc1 10996759 LDDBIJVFIUVJQQ-UHFFFAOYSA-N 319.404 3.886 0 40 DHAB Fc1ccc(CNc2c(-c3ccccn3)nc3cnccn23)cc1 12144584 IZFPZVIRQHPHIJ-UHFFFAOYSA-N 319.343 3.543 0 40 DHAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1cc2ccccc2o1 12530778 ZREYMGSUTPGJBO-NSHDSACASA-N 305.337 3.800 0 40 DHAB Cc1ccc(Cc2cnc(NC(=O)c3cc(C)on3)s2)cc1 12692737 FVVRUUFAQQJXBT-UHFFFAOYSA-N 313.382 3.591 0 40 DHAB Cc1[nH]c2ccc(C(=O)NCCOc3ccccc3)cc2c1C 12849655 FRHGINHAUNUVFD-UHFFFAOYSA-N 308.381 3.594 0 40 DHAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CC=CCC1 13006005 FUPFFSFXYBTXAK-STQMWFEESA-N 319.426 3.635 0 40 DHAB O=C(Nc1nc(SCc2ccccc2)ns1)C1CCC1 14200088 AOKGYKJNHUJPCY-UHFFFAOYSA-N 305.428 3.569 0 40 DHAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)NC1CCCCCC1 16702120 OWZSFQUMAUBEEZ-UHFFFAOYSA-N 321.289 3.764 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccc(C)c(F)c2)c1 18923129 JSIPOEYBZNXMGG-UHFFFAOYSA-N 318.373 3.730 0 40 DHAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN3)n2)cc1 19373157 MMBUHEXFLCDWBH-INIZCTEOSA-N 317.396 3.707 0 40 DHAB CCOc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)NCC2 20507129 OIHYWHDYXMCANR-GOSISDBHSA-N 317.816 3.982 0 40 DHAB O=C(OCCCOc1ccc(F)cc1)c1c[nH]c2ccccc12 23298049 FAXOPHSXEJMVDB-UHFFFAOYSA-N 313.328 3.933 0 40 DHAB CC1CCC(N(C)C(=O)c2cnc3c(cnn3C(C)C)c2)CC1 25628197 MUYXJMPWWMWKCB-UHFFFAOYSA-N 314.433 3.663 0 40 DHAB Cc1nc(C)c(C(=O)NCCCO[C@@H](C)c2ccccc2)s1 25672988 XCXGMPOVLGBHSM-ZDUSSCGKSA-N 318.442 3.658 0 40 DHAB O=C(Nc1ccccc1N1CCc2ccccc2C1)C1CCC1 25798369 CGVXOUHDYPTBIK-UHFFFAOYSA-N 306.409 3.988 0 40 DHAB Cc1noc(C)c1C(=O)N[C@H](C)c1cccc(Br)c1 27740206 DBCWZXQSJLSLLR-MRVPVSSYSA-N 323.190 3.545 0 40 DHAB Cc1sc2nc(Cl)n3nc(-c4ccco4)nc3c2c1C 32090668 AGLUDCJADUVSLZ-UHFFFAOYSA-N 304.762 3.869 0 40 DHAB CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 32911864 YUFDXEUDZNEMCU-INIZCTEOSA-N 321.417 3.891 0 40 DHAB COc1ccc(OC)c(C(=O)c2cccc(Br)c2)c1 37353759 SGTYMVSZZBKTSQ-UHFFFAOYSA-N 321.170 3.697 0 40 DHAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1cccs1 38592145 FGBIRPHHWAPPMB-UHFFFAOYSA-N 316.426 3.618 0 40 DHAB Cc1ncsc1C(=O)NCC1(c2ccc(F)cc2)CCCC1 40121440 KXHHZHOZGZOJDA-UHFFFAOYSA-N 318.417 3.832 0 40 DHAB O=C(Cc1ccc(F)cc1)NCCCSc1ccccc1 40160513 BNFKJSGOPNLFFF-UHFFFAOYSA-N 303.402 3.667 0 40 DHAB O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1ccncc1 43161875 NERJTQKDZZOIFH-SFHVURJKSA-N 318.380 3.999 0 40 DHAB CC(C)(C)n1cc(C(=O)N2CCC[C@@H]2c2cccs2)cn1 48366469 OVQUOHBCOYTAAF-CYBMUJFWSA-N 303.431 3.677 0 40 DHAB COCCCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F 48696160 LKOHAYMDGRITFJ-UHFFFAOYSA-N 310.703 3.517 0 40 DHAB Cc1c(Cl)cccc1NC(=O)NC[C@@H]1CCN(C(C)C)C1 58323776 PDKGVZNCHSRYOQ-ZDUSSCGKSA-N 309.841 3.500 0 40 DHAB CC(C)N(C(=O)[C@@H](C)N(C)Cc1ccccc1Cl)C(C)C 71920735 CQXAVYFEJWXMED-CQSZACIVSA-N 310.869 3.806 0 40 DHAB CC[C@@H](NC(=O)c1ccco1)c1nc(C(F)(F)F)cs1 73278990 QBSVYZAVJRBEPZ-SSDOTTSWSA-N 304.293 3.636 0 40 DHAB CCOCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl 75241773 ZOSVYLFEWPNEDA-FNORWQNLSA-N 302.201 3.549 0 40 DHAB CSc1ccccc1NCc1noc(Cc2ccccc2)n1 86190155 JASANUGAKHLNPZ-UHFFFAOYSA-N 311.410 3.994 0 40 DHAB Cc1cccc([C@H]2CCCN2Cc2c[nH]nc2-c2cccnc2)n1 93453552 GRTDNISWSSGINS-GOSISDBHSA-N 319.412 3.512 0 40 DHAB COc1ccc([C@H](C)[C@@H](C)NCCc2csc(C)n2)cc1 95419967 IDQRGRWYHBZGDT-CHWSQXEVSA-N 304.459 3.784 0 40 DHAB O[C@H](CN[C@@H](Cc1ccccc1)C(F)(F)F)c1ccsc1 95422956 GGVVHUBONVPRLG-KGLIPLIRSA-N 315.360 3.545 0 40 DHAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Nc1cccc(C(F)F)c1 95961117 HWYZIGKQLZHRMI-UPJWGTAASA-N 310.344 3.559 0 40 DHAB C[C@@H](NCc1cscn1)c1cc(Br)ccc1F 95967551 TWVNOLGKYPNHMK-MRVPVSSYSA-N 315.211 3.896 0 40 DHAB CC(C)[C@H](C(=O)N[C@H](C)c1cncc(F)c1)c1ccccc1 95993596 WRMVHAAOTIKPJT-DYVFJYSZSA-N 300.377 3.838 0 40 DHAB CO[C@@H](C)c1nc(CNc2cc(F)c(F)cc2F)cs1 96004398 TUWNTCJOHXCVQP-ZETCQYMHSA-N 302.321 3.880 0 40 DHAB c1csc(-c2nnc(NCc3csc(C4CC4)n3)o2)c1 97114548 XZSJAUJSTDUPIA-UHFFFAOYSA-N 304.400 3.744 0 40 DHAB Cc1cc(C)n(C(=O)c2sc3ncccc3c2-n2cccc2)n1 98212013 MBOAWLKOSILLFY-UHFFFAOYSA-N 322.393 3.589 0 40 DHAB O=C(Nc1cccc(-c2ccsc2)c1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105187 WHIDLNDDPCOMKI-BZUAXINKSA-N 314.410 3.857 0 40 DHAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)o1 222947925 NOUFGVLWYDECGM-HOTGVXAUSA-N 315.442 3.756 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1 223734408 IUPLKZAIZSHNDK-UHFFFAOYSA-N 321.467 3.538 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2c(C)cccc2C)cc1 224972405 PZUWDISEJGUJLG-UHFFFAOYSA-N 321.467 3.850 0 40 DHAB CCOc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 225106875 YOLBEZVSOPMOLF-MRXNPFEDSA-N 320.772 3.813 0 40 DHAB Cc1nc(/C=C2/SCCN2C(=O)C2CCCCC2)cs1 225260113 WNWDBKXRMIGLNC-NTEUORMPSA-N 308.472 3.906 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1Cl 225646497 FVRHZHNXASTHPS-MRXNPFEDSA-N 311.809 3.882 0 40 DHAB Cc1ccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Cl)cc1 226357144 IVDNHFRCNOYPDU-WEVVVXLNSA-N 315.756 3.999 0 40 DHAB Cc1cn(C)c([C@@H]2CCN(Cc3cccc(OC(C)C)c3)C2)n1 257210508 BUYJOULVWLADLA-QGZVFWFLSA-N 313.445 3.505 0 40 DHAB Cc1ncc(CNC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)o1 574656702 XGWGVBAFRMHSKO-IAGOWNOFSA-N 323.396 3.513 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 140328 KONSOSSLUBJREG-HUUCEWRRSA-N 303.402 3.948 0 40 DHAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1 251985 DGVPYFDQOBKQFI-HNNXBMFYSA-N 319.408 3.656 0 40 DHAB CC(C)(CO)NCc1cccc(OCc2ccc(Cl)cc2)c1 359842 SPEODCKLJMQURM-UHFFFAOYSA-N 319.832 3.780 0 40 DHAB Cc1ccc(-c2[nH]c(=O)nc3ccc(Br)cc23)cc1 363996 PISGBALMUWFULF-UHFFFAOYSA-N 315.170 3.661 0 40 DHAB Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccco1 884386 YKKVXKNCLUEUEN-UHFFFAOYSA-N 310.309 3.686 0 40 DHAB Cc1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc1 1264201 YTDSAYWPRQBHHR-UHFFFAOYSA-N 316.357 3.761 0 40 DHAB O=C1c2ccccc2C(=O)N1CCSc1ccc(Cl)cc1 1386041 WQFZHSRNWSTGMY-UHFFFAOYSA-N 317.797 3.728 0 40 DHAB Cc1ccc(NC(=O)O[C@H](C)c2sc3ncnn3c2C)cc1 1405001 PEPLLTQDYNTJFO-LLVKDONJSA-N 316.386 3.717 0 40 DHAB COc1ccc(COC(=O)Nc2ccc(C)cc2)cc1OC 1702191 JOCGUFIYPNWBCR-UHFFFAOYSA-N 301.342 3.761 0 40 DHAB Cc1ccc(OCCCC(=O)Nc2nnc(C(C)C)s2)cc1 1773391 UKUNGFJALMRXSQ-UHFFFAOYSA-N 319.430 3.768 0 40 DHAB Cc1ccn(C(=O)CCCOc2ccc(Cl)cc2Cl)n1 2135835 XEAUHAKLGZDUFE-UHFFFAOYSA-N 313.184 3.998 0 40 DHAB CCn1ncc(CN(C)C(=O)Nc2ccc(Cl)cc2)c1C 2768055 JNIKOOGRVFBMHV-UHFFFAOYSA-N 306.797 3.529 0 40 DHAB Clc1cccc(N2CCN(c3cnc4ccccc4n3)CC2)c1 3016345 GKXAPAUNNFDGLO-UHFFFAOYSA-N 324.815 3.610 0 40 DHAB FC(F)(F)c1cccc(-n2c(S)nnc2-c2cccnc2)c1 3273222 VTJLIKWIRKFYFI-UHFFFAOYSA-N 322.315 3.637 0 40 DHAB CC(C)NC(=S)NNc1c(Cl)cc(Cl)cc1Cl 3332578 OCNSDWDIMIVLCV-UHFFFAOYSA-N 312.653 3.846 0 40 DHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1F 3503618 ITBRTTSMIBETMU-JTQLQIEISA-N 315.373 3.821 0 40 DHAB COc1ccc([C@@H]2OC[C@]3(CO)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 4026998 RJYHUHMMBLCXKJ-CSJNCLCHSA-N 302.414 3.594 0 40 DHAB biogenic CC(C)C(=O)Nc1nnc(SCc2cccc(F)c2)s1 4078271 WDADRXCMOKRKIX-UHFFFAOYSA-N 311.407 3.564 0 40 DHAB CCC(=O)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120419 PDXXUMSNHGABLG-UHFFFAOYSA-N 316.348 3.547 0 40 DHAB CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1 4785083 ZCTMXKAWUOVQFM-UHFFFAOYSA-N 323.845 3.692 0 40 DHAB C[S@](=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 5377801 SGZXNMUXPVCCIC-OAQYLSRUSA-N 318.785 3.794 0 40 DHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2cc3ccccc3[nH]2)cc1 5531404 DBRIDPKKEGKTLH-LBPRGKRZSA-N 323.348 3.605 0 40 DHAB O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccco1)c1ccccc1 6508182 UGDPFDLLUPYEHU-SFHVURJKSA-N 324.355 3.888 0 40 DHAB Cc1ccccc1CC(=O)Nc1nc(-c2ccncc2)cs1 7182321 YOIUSUNRVLPRKL-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407367 VWYJANYSTBHXRL-UHFFFAOYSA-N 312.417 3.656 0 40 DHAB COc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cn1 7849113 IQABCNTVTSOVQS-UHFFFAOYSA-N 317.395 3.528 0 40 DHAB O=C(N[C@H]1CCSc2ccccc21)c1cc(F)cc(F)c1 9315637 BDYQRYONAVQDJJ-AWEZNQCLSA-N 305.349 3.932 0 40 DHAB COC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 10957826 DIXYWWXOTQVJQH-UHFFFAOYSA-N 309.369 3.774 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccn(-c3ccccc3)n2)cc1 12905585 LAGRBEBTKYENJA-OAHLLOKOSA-N 321.380 3.587 0 40 DHAB Cc1cnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 12975068 VHTKGOSJUWNXEG-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2c(C)noc2n1 14179935 NWIDDAUMYWDQAB-UHFFFAOYSA-N 301.733 3.745 0 40 DHAB Cc1nc(-c2ccncc2)c2c(C)nn(-c3ccc(F)cc3)c2n1 15106401 MTRYZKBOQLJJFC-UHFFFAOYSA-N 319.343 3.633 0 40 DHAB CCCc1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1 15911303 UXIFFDKWBYIKGH-UHFFFAOYSA-N 308.381 3.824 0 40 DHAB Cc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 20110336 SBCWCPVCXSWKDS-UHFFFAOYSA-N 322.408 3.693 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 20451374 MABYVJCWMNEUKT-ZDUSSCGKSA-N 323.845 3.829 0 40 DHAB CC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 20494626 PSUBNQUFPHVFCU-MRXNPFEDSA-N 323.845 3.911 0 40 DHAB COc1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 21999591 MIHASGMYIDYJEQ-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB CC[C@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237613 CEAMHLOINWOZPH-NSHDSACASA-N 303.431 3.748 0 40 DHAB CC(=O)Nc1ccc(CNC(=O)c2cccc3ccccc23)cc1 22511540 NJHWJPFPXLBRMV-UHFFFAOYSA-N 318.376 3.728 0 40 DHAB O=C(c1cccc2cccnc12)N1CCC[C@@H](C(F)(F)F)C1 24183888 PSICVQPZGFMQCS-GFCCVEGCSA-N 308.303 3.649 0 40 DHAB Cc1cc(F)ccc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 25608319 RQRJFZNCQKCUIZ-LBPRGKRZSA-N 304.340 3.563 0 40 DHAB Cc1cc(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)no1 28988985 OMYVOWCGIMSNBF-SECBINFHSA-N 313.279 3.885 0 40 DHAB CCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc21 32234729 BTNPNLFCTKLABX-CQSZACIVSA-N 320.392 3.512 0 40 DHAB COC(=O)c1c(F)c(F)c(NCc2ccccc2)c(F)c1F 34265451 WPROFLJUGMMGER-UHFFFAOYSA-N 313.250 3.642 0 40 DHAB Cc1cc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)ccc1C(C)C 37194689 IBEOLOWEHFZXPQ-BQFCYCMXSA-N 319.489 3.836 0 40 DHAB O=C(CCOCc1ccccc1)N[C@H]1CCCc2ccccc21 40157258 UISJBYGTJNRPML-IBGZPJMESA-N 309.409 3.787 0 40 DHAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccccc2F)C1 40284625 PTBAGXUVEOTUDV-CYBMUJFWSA-N 308.316 3.530 0 40 DHAB O=C(Nc1cccc(F)c1F)c1ccc(Br)o1 44501124 RJQQYEMVQUTHIN-UHFFFAOYSA-N 302.074 3.573 0 40 DHAB COc1ccc(C)c(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 44837669 PSVMKNQMBIFTBH-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB Cc1cc(CSCC(=O)c2c(C)[nH]c3ccccc23)no1 46835409 AKHLTKPNNTWHMP-UHFFFAOYSA-N 300.383 3.889 0 40 DHAB CCc1ccc(CNC(=O)N2CCC[C@H]2c2cc(C)no2)s1 46945511 AFVJPNBYSFTLFU-AWEZNQCLSA-N 319.430 3.654 0 40 DHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2occc2C)c1 48354327 GMZFWCGZGBPKIY-GFCCVEGCSA-N 314.385 3.503 0 40 DHAB CC(C)c1ccc2nc(CC(=O)c3cccs3)[nH]c(=O)c2c1 57771632 KAVWQQNKMXMRRY-UHFFFAOYSA-N 312.394 3.533 0 40 DHAB CC(C)c1cc(C(=O)NC[C@H]2CC=CCC2)nn1C(C)(C)C 58061165 KJWFGWKGFKIJNH-AWEZNQCLSA-N 303.450 3.848 0 40 DHAB Cc1cccc(-c2nnc(SCc3nc(C)c(C)o3)o2)c1 58161846 WBFKBJCNWBQTKM-UHFFFAOYSA-N 301.371 3.942 0 40 DHAB C[C@H](c1ccc(F)c(Cl)c1)N1CCC(NC(=O)C2CC2)CC1 58438802 QVLQFLKIDKREQY-LLVKDONJSA-N 324.827 3.531 0 40 DHAB Cn1ccc2cc(C(=O)NCCn3ccc4ccccc43)ccc21 70666412 ALBHPHFVVHYJCQ-UHFFFAOYSA-N 317.392 3.563 0 40 DHAB biogenic CCOc1ccc(NC(=O)c2c(C)nc3ccc(C)cn23)cc1 71459177 YLCSSZQBAUELIO-UHFFFAOYSA-N 309.369 3.602 0 40 DHAB C[C@H]1SCCN(Cc2nc(C3CC3)no2)[C@H]1c1ccccc1 71911156 KNMAFRRAMVBWNN-MLGOLLRUSA-N 315.442 3.626 0 40 DHAB C[C@H](NCc1ccc(CO)o1)c1ccc(Cl)c(Cl)c1 71915082 AENPDZLIUGZGAB-VIFPVBQESA-N 300.185 3.930 0 40 DHAB CCc1nnc(NC(=O)c2cc(-c3ccco3)cs2)s1 72243230 RYJAKDNKJCXDJE-UHFFFAOYSA-N 305.384 3.674 0 40 DHAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2)cc1 72328967 IZKXGBCSIUNXFH-UHFFFAOYSA-N 305.381 3.624 0 40 DHAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2C(C)C)n1 72360151 ITPMPJKTVYWWJV-ZDUSSCGKSA-N 303.435 3.530 0 40 DHAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccoc2)n1 72366758 YQNWKGXHOWXDQO-KRWDZBQOSA-N 308.385 3.506 0 40 DHAB CN(CCc1ccncc1)Cc1c(C(C)(C)C)[nH]c2ncccc12 72393648 QWRJXPNPPSIFRE-UHFFFAOYSA-N 322.456 3.930 0 40 DHAB CC(C)COc1ccc(C(C)(C)C(=O)NCc2ccc[nH]2)cc1 74122348 BNJSRFYRSCGMAM-UHFFFAOYSA-N 314.429 3.644 0 40 DHAB Cc1csc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)c1 75154662 HUXQKKCIHWDXOB-UHFFFAOYSA-N 324.365 3.840 0 40 DHAB CCc1noc([C@H](C)SCc2cc(C(C)=O)ccc2OC)n1 76322507 CPMHROGPACYDCJ-NSHDSACASA-N 320.414 3.838 0 40 DHAB CN(Cc1ccccc1)C(=O)CSCc1ccccc1F 78272030 GLAIGRFFYRRNHM-UHFFFAOYSA-N 303.402 3.718 0 40 DHAB COc1cc(C)c([C@@H](C)NCc2cccc(O)c2)cc1OC 79331127 YDTIJYFBQPGYCR-CYBMUJFWSA-N 301.386 3.569 0 40 DHAB Cc1cc(N[C@@H](C)CC(C)(C)c2ccccc2)n2ncnc2n1 84109953 NZCXTGLGFLVZTK-AWEZNQCLSA-N 309.417 3.601 0 40 DHAB CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F 95115919 IJVXQHRLAVRBRB-KRWDZBQOSA-N 300.308 3.662 0 40 DHAB CC[C@@H]1CC[C@H](C)N1C(=O)c1sc(NC(=O)C2CC2)cc1C 95459199 OLUFLXSXATXKBX-WCQYABFASA-N 320.458 3.808 0 40 DHAB CCc1nc(C)c([C@@H](C)N(C)Cc2nnc(C(C)C)o2)s1 96424508 YVYQHIXWBOFHSG-LLVKDONJSA-N 308.451 3.713 0 40 DHAB Cc1nc(C[S@](=O)Cc2ncc(Cl)cc2Cl)cs1 97148584 XWDSMDSTSULPAW-GOSISDBHSA-N 321.254 3.602 0 40 DHAB C[C@@H](NC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccc(F)c(F)c1 103027678 LKSFKLGIWIOFNC-WXHSDQCUSA-N 321.367 3.537 0 40 DHAB O=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)on1 224065483 KXCXDKUZLXREIR-UHFFFAOYSA-N 302.349 3.933 0 40 DHAB Cc1cc(N)cc(Br)c1NC(=O)c1ccccc1 226756447 ZGLLVPIXKGYNSG-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB O=C(c1ccc(Cl)cc1)N1CC[C@H](Cc2nccs2)C1 257328037 XDVPMRZTWALFLB-LLVKDONJSA-N 306.818 3.501 0 40 DHAB Cc1cc2nnc(-c3cccc4c3OCO4)n2c2ccccc12 96752 LCNMQKALOWJDOV-UHFFFAOYSA-N 303.321 3.587 0 40 DHAB CC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C)c(Cl)ccc21 2028077 IGZPCCKOBBOJAF-MRXNPFEDSA-N 307.777 3.782 0 40 DHAB CCCOc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 2317834 RLQVILNJVXTFSV-SDNWHVSQSA-N 313.378 3.881 0 40 DHAB CCc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1 2692804 WDPGHAXNGCDZNY-UHFFFAOYSA-N 324.359 3.530 0 40 DHAB COc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1OC 3239415 WPNFBLCPXKYPRG-NTUHNPAUSA-N 315.756 3.850 0 40 DHAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2C)C(C)C)cc1 3481447 KDDGDRHSUWMZET-GOSISDBHSA-N 324.424 3.697 0 40 DHAB O=C(OCc1ccccc1Br)c1ccc(O)cc1 5061160 DSORRWIQRONHJE-UHFFFAOYSA-N 307.143 3.512 0 40 DHAB COc1cccc(CCNC(=O)Nc2c[nH]c3ccccc23)c1 5299909 YVYFIYHGWSLOCX-UHFFFAOYSA-N 309.369 3.541 0 40 DHAB Cc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1C 5558481 CMOWXOLJBFJWMN-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COC(=O)c1ccc(Cl)c(NC(=O)Nc2ccccc2)c1 8092230 NLGXHZNXSGZAOG-UHFFFAOYSA-N 304.733 3.771 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCCCC1 9515621 RGLMSLFMRCCDPH-UHFFFAOYSA-N 315.392 3.691 0 40 DHAB COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccccc1C 9691434 YFDRDLOQPWHVKP-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB O=C(Nc1ccc(F)cc1)C1=C(c2ccccc2)SCCO1 12408411 DAJZWFYJDKRTEU-UHFFFAOYSA-N 315.369 3.896 0 40 DHAB CC(C)c1ccc(-c2nnn(C[C@@H]3CC3(Cl)Cl)n2)cc1 12751114 UWCOFGDMBSYQAF-LBPRGKRZSA-N 311.216 3.657 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1ccc(Br)s1 12849157 JCZBEQCURHTBHW-UHFFFAOYSA-N 324.199 3.966 0 40 DHAB O=C(COc1cccc(Cl)c1)N[C@H]1CCc2ccccc21 12886994 BOKPZRAKLGTYIY-INIZCTEOSA-N 301.773 3.523 0 40 DHAB COC(=O)c1cccc(Oc2ccc(Br)cc2N)c1 14630991 OLHBJILACMGYGR-UHFFFAOYSA-N 322.158 3.610 0 40 DHAB O=C(CNc1cccc2c1CCCC2)Nc1ccc(F)cc1F 15345911 TXRZUOIRBLOFNU-UHFFFAOYSA-N 316.351 3.894 0 40 DHAB O=Cc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 20393557 FNVGOEXEPMVWIV-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB CN(C)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cn1 22419052 KDRCKSVTZPTDNI-UHFFFAOYSA-N 315.442 3.730 0 40 DHAB O=C(CCc1ccsc1)N[C@@H](c1ccccc1)c1ccccn1 24649926 ZLZQCAHVYOGRHH-IBGZPJMESA-N 322.433 3.982 0 40 DHAB Cc1ccc2nc(NC(=O)Cc3noc4ccccc34)sc2c1 27583750 BHWMTTFWEHXRAE-UHFFFAOYSA-N 323.377 3.927 0 40 DHAB Cc1ccc(Cn2cc(NC(=O)NC3CCCCC3)cn2)cc1 28234484 CYZWBRPQHLOVJU-UHFFFAOYSA-N 312.417 3.694 0 40 DHAB CC[C@@H](C)NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1 32151649 UBAVCJFBMHUILC-RZIFZGNASA-N 310.397 3.589 0 40 DHAB COc1ccccc1Oc1cc(-c2cccc(C(=O)O)c2)ncn1 32918453 ICSWQYQVXLRSFP-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 33235803 JKRDRRAQQIIMLA-GFCCVEGCSA-N 311.410 3.971 0 40 DHAB Cc1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 33663780 LIZIGXSZJNAFSW-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB CCC(CC)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C 36393597 ICURBQJYMBYFIT-JTQLQIEISA-N 323.820 3.714 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCOc2ccccc2)o1 40012193 BYKAEDFNNPXLPM-YOEHRIQHSA-N 313.397 3.531 0 40 DHAB CCN(CC)CCCNC(=O)c1cc2c(F)cccc2s1 40159507 FMEYUXWHIYVQDM-UHFFFAOYSA-N 308.422 3.502 0 40 DHAB C[C@H](NC(=O)N(C)Cc1csc2ccccc12)[C@H]1CCCO1 46972507 XIRMQQDNZPPQPG-SWLSCSKDSA-N 318.442 3.610 0 40 DHAB CCN(C)Cc1cccc(CNC(=O)c2ccccc2Cl)c1 48299492 JNWQLZRIJJIEMC-UHFFFAOYSA-N 316.832 3.722 0 40 DHAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@H]1c1ccccn1 55522155 VPMJYKFVQIZDNL-KRWDZBQOSA-N 319.364 3.714 0 40 DHAB Cc1ccc2c(CN(C)Cc3cccc(F)c3)cc(=O)oc2c1 58167033 AKYXZGUFBZTXKQ-UHFFFAOYSA-N 311.356 3.873 0 40 DHAB CC(C)(C)C(=O)NCc1ccc(CN2CCCCCC2)cc1 60206115 WYSRWYFYXIGIDP-UHFFFAOYSA-N 302.462 3.725 0 40 DHAB CC(C)(C)CC(C)(C)NC[C@H](O)COCc1ccccc1F 60478095 YWEVASVQZLDEKD-HNNXBMFYSA-N 311.441 3.508 0 40 DHAB CC[C@@H](NC(=O)COc1cccc(OC)c1)c1ccc(C)cc1 60964693 KNHURLYQRPOZRF-GOSISDBHSA-N 313.397 3.650 0 40 DHAB CC(C)N(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 69559729 GCWQBOKMADVUNW-JKSUJKDBSA-N 317.820 3.619 0 40 DHAB CCCO[C@@H]1CCCN(C(=O)c2cccc3ncccc23)CC1 72273243 OHVHMDNASBRLNS-OAHLLOKOSA-N 312.413 3.656 0 40 DHAB CCOCC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 72621641 BUVXYZHAXCAUIR-UHFFFAOYSA-N 315.398 3.575 0 40 DHAB O=C(Nc1nccs1)N1CCCC[C@@H]1Cc1ccccc1 84525707 ATRMAZLUGICPMN-CQSZACIVSA-N 301.415 3.772 0 40 DHAB CC(C)[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccn1 89801818 PYOAZLPTVHSORK-IAGOWNOFSA-N 301.434 3.753 0 40 DHAB CO[C@@H](CN[C@H](C)c1cnc(C)nc1C)c1ccccc1Cl 90453401 JRVXACUDALASGE-DIFFPNOSSA-N 319.836 3.785 0 40 DHAB Cc1csc(CNc2cccc(OCCN3CCCC3)c2)n1 95429036 QNVRWJWFZLNGHH-UHFFFAOYSA-N 317.458 3.538 0 40 DHAB C[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1nc(C(C)(C)C)cs1 95439497 USJQZWLCFZVUCQ-RYUDHWBXSA-N 324.490 3.681 0 40 DHAB c1ccc2c(c1)CN(c1ncnc3[nH]cnc13)Cc1ccccc1-2 95952832 LFELPSQSFJRTCY-UHFFFAOYSA-N 313.364 3.540 0 40 DHAB COc1ccc(C2=N/C(=C/c3cc4ccccc4o3)C(=O)O2)cc1 96935610 IJACDIKQSHJQEY-LFIBNONCSA-N 319.316 3.786 0 40 DHAB c1cc(CNc2nnc(Cc3ccsc3)o2)c2ccncc2c1 97083514 OLCMTBAGXNXKDV-UHFFFAOYSA-N 322.393 3.882 0 40 DHAB C[C@H]1CN(C(=O)Nc2cccc3c2OCCO3)[C@@H]1c1ccccc1 97099308 YCHPTXZRSRHHBY-GUYCJALGSA-N 324.380 3.683 0 40 DHAB O=C(c1ccoc1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 106638384 YTUUAGUYVVANQS-RTBURBONSA-N 324.424 3.549 0 40 DHAB COc1cccc(C=O)c1OCCCN1[C@@H](C)CCC[C@H]1C 217789944 HUEIPUFUKWDIOH-GASCZTMLSA-N 305.418 3.540 0 40 DHAB CCc1ccc(OCC(=O)NCCCc2ccc(C)cc2)cc1 218955557 UMLOLXHVPDWHSK-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(OCC)c(C)c2)cc1 223468327 CPMYHSKVTBLXML-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 224668171 ZNUPYRTUYPTBTG-UHFFFAOYSA-N 309.818 3.864 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1ccc([C@@H](C)O)cc1 226273233 XBHUXWTXACLVLB-SNVBAGLBSA-N 305.761 3.654 0 40 DHAB Cc1ccc(C[C@H]2CCCN(C(=O)C3CCCCC3)C2)cn1 257240887 HVOZIFJSTOTEDT-QGZVFWFLSA-N 300.446 3.751 0 40 DHAB Cc1ccnc(NCc2ccc(-c3ccccc3C(=O)O)o2)c1 257246606 IUVSIHUKUCZSSR-UHFFFAOYSA-N 308.337 3.960 0 40 DHAB O=C(c1cc2ccccc2o1)N1CC(COc2ccccc2)C1 377191559 SMWFLEQHWYZXLT-UHFFFAOYSA-N 307.349 3.584 0 40 DHAB Cc1cc(NC(=O)c2scnc2C(C)(C)C)cc2n[nH]cc12 501719584 FGAIQIWHGFHIRQ-UHFFFAOYSA-N 314.414 3.878 0 40 DHAB COc1ccc(CCC(=O)NCC(C)(C)c2ccsc2)cc1 1565519339 MIZVMJHNVWOTNG-UHFFFAOYSA-N 317.454 3.783 0 40 DHAB Brc1cnc(N2CCC(c3cccs3)CC2)nc1 1775970068 ZOCQOQUPFFQCPE-UHFFFAOYSA-N 324.247 3.685 0 40 DHAB O=C1O[C@H](Nc2ccc(Br)cc2)c2ccccc21 91695 BXXFODLFEGDXPK-ZDUSSCGKSA-N 304.143 3.730 0 40 DHAB CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccco1 269309 WFXTYIQCGYBXJL-UHFFFAOYSA-N 314.728 3.552 0 40 DHAB Fc1ccccc1Cc1nn2c(Cc3ccccc3)nnc2s1 385284 RKOJQVIBDASJEI-UHFFFAOYSA-N 324.384 3.507 0 40 DHAB COc1ccccc1NCc1cc2cc(C)cc(C)c2[nH]c1=O 421244 ZDFANMLMJRLXSA-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB CCOc1ccccc1NC(=S)NC(=O)c1cccc(C)c1 1004120 ZADSURBGPKBCTC-UHFFFAOYSA-N 314.410 3.521 0 40 DHAB COC(=O)c1ccccc1C[C@H]1Cc2ccc3c(c2C1)CCC3 1646104 KKVDJLDHHJXSLH-AWEZNQCLSA-N 306.405 3.919 0 40 DHAB COC(=O)/C(=C(\F)SCC(=O)c1ccccc1)C(F)(F)F 1824475 JSPIOVVKZQUJIL-KHPPLWFESA-N 322.279 3.519 0 40 DHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2624985 DVBCUZZOAIMUSS-UHFFFAOYSA-N 322.286 3.916 0 40 DHAB COc1ccc(OC)c(NC(=O)c2cc3c(s2)CCC3)c1 3230500 KGZUTOZEMFTKJI-UHFFFAOYSA-N 303.383 3.506 0 40 DHAB C[C@]1(C(=O)OCC(=O)c2ccc(Cl)cc2)CC1(Cl)Cl 3265323 KSNLSUVLHKBVHL-GFCCVEGCSA-N 321.587 3.650 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 3411725 HIHXRGCDVLYIJD-LLVKDONJSA-N 323.400 3.507 0 40 DHAB Fc1ccc2nc(Nc3ccc4c(c3)OCCO4)sc2c1 4061304 ITSODNMPRORKPS-UHFFFAOYSA-N 302.330 3.950 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 4183207 SLJQCXKWMCDIOX-UYTYNIKBSA-N 311.510 3.557 0 40 DHAB CCSc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 4585863 DPXXHEWRLWZPME-UHFFFAOYSA-N 315.354 3.694 0 40 DHAB CCCCCS[C@H]1CS(=O)(=O)C[C@@H]1SCCCCC 4793521 SOBODQNMRFOUGE-KBPBESRZSA-N 324.577 3.999 0 40 DHAB Cc1cc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c(C)o1 4930336 YWEBAQKETRJEJM-UHFFFAOYSA-N 300.354 3.861 0 40 DHAB Clc1nc2ccccc2nc1N1CCN(c2ccccc2)CC1 5021832 JWOCIRWQLBPFTO-UHFFFAOYSA-N 324.815 3.610 0 40 DHAB Cc1c(C)n(-c2cccnc2)c2ncnc(Nc3nccs3)c12 5346471 DHAHTVKSNPVTIG-UHFFFAOYSA-N 322.397 3.632 0 40 DHAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)OC 7069038 YINWYLBTBVXYGY-UHFFFAOYSA-N 315.394 3.838 0 40 DHAB c1cc2c(cc1-c1csc(N3CCCCC3)n1)OCCO2 7763250 KRNKPVQAKHQGGK-UHFFFAOYSA-N 302.399 3.572 0 40 DHAB CCCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 7779362 AKFSFPAEQOROPR-UHFFFAOYSA-N 307.459 3.808 0 40 DHAB CCN(CC)C[C@H](NC(=O)Nc1ccccc1)c1ccccc1 7813741 IFBGTGGSPWOMSM-SFHVURJKSA-N 311.429 3.891 0 40 DHAB Cc1ccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 10110376 GBGLWXGQLFOUKV-JLHYYAGUSA-N 324.380 3.665 0 40 DHAB O=C(NCCSCc1ccccc1F)c1ccc(F)cc1 10280096 KTBPCZIJWGOFBS-UHFFFAOYSA-N 307.365 3.628 0 40 DHAB Clc1cccc(Oc2ccc(-n3cnnn3)cc2Cl)c1 12428744 NPSCIXNHXXOPMX-UHFFFAOYSA-N 307.140 3.761 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccccn3)ccc2c1 12526917 LRGQEYWHJDHISB-CYBMUJFWSA-N 306.365 3.986 0 40 DHAB C[C@@H](O)c1cccc(NC(=O)CSCc2ccc(F)cc2)c1 12824542 IBQBRIPJILMYAB-GFCCVEGCSA-N 319.401 3.751 0 40 DHAB COc1ccccc1CNC(=O)N(C)Cc1cccc(Cl)c1 12917745 WNZYDEXGLKBSNK-UHFFFAOYSA-N 318.804 3.690 0 40 DHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)O)cc1 13166499 RBBNSLBHGYQTIW-UHFFFAOYSA-N 321.332 3.799 0 40 DHAB CN(C(=O)c1ccc2ccccc2c1)c1ccccc1C(=O)O 13441058 DJRFZZSMLBNDSL-UHFFFAOYSA-N 305.333 3.815 0 40 DHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1 13649426 NBLKCPVVNTZYIV-GFCCVEGCSA-N 319.788 3.546 0 40 DHAB COc1cccc(CCCNC(=O)c2ccc(Cl)cc2)c1 13669465 LFUZODKCONXAOF-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)cc1 13932638 XTKIDSHPOMYJHD-LBPRGKRZSA-N 316.426 3.751 0 40 DHAB Cc1ccccc1-c1cc(=O)n2nc(C)c(-c3ccccc3)c2[nH]1 14163581 NWJYZACFPXPZAX-UHFFFAOYSA-N 315.376 3.973 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(C)cc2O)cc1OCC 15923004 AFCCEUJJGBSFFV-UHFFFAOYSA-N 315.369 3.750 0 40 DHAB Cc1cccc(-c2nn3c(O)cc(-c4ccccn4)nc3c2C)c1 19235278 WIFIGDWSSICLER-UHFFFAOYSA-N 316.364 3.781 0 40 DHAB CCc1nn2c(O)cc(-c3ccncc3)nc2c1-c1ccccc1 19521422 YMULQVJCTMXCJO-UHFFFAOYSA-N 316.364 3.726 0 40 DHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccn1 20491484 QCNKXTXGFOUOOT-HNNXBMFYSA-N 320.845 3.922 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCC[C@@H]1C(F)(F)F 27862809 GMKMABCDDIEAFN-ZFWWWQNUSA-N 324.346 3.948 0 40 DHAB Cn1c(NC(=O)c2ccc3ccccc3c2)nc2ccccc21 27923873 YGZABOSEQBNQPG-UHFFFAOYSA-N 301.349 3.979 0 40 DHAB O=C(NCC1CCC1)c1ccccc1OCc1ccc(F)cc1 31441263 XIUMMOHNHXLAJE-UHFFFAOYSA-N 313.372 3.935 0 40 DHAB CN(CCCNC(=O)Nc1ccccc1F)C1CCCCC1 32779521 QTOQFSIMLOOFFS-UHFFFAOYSA-N 307.413 3.602 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(NC(=O)C2CC2)cc1 32975239 IVLBXQLNBVTWPJ-ZDUSSCGKSA-N 320.392 3.627 0 40 DHAB Cc1cnc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cn1 36112508 APEHYYGIMJQHIE-UHFFFAOYSA-N 301.349 3.609 0 40 DHAB COc1cccc([C@@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)c1 40039497 ZLRQSXMVMDLWKI-IBGZPJMESA-N 324.424 3.739 0 40 DHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(N(C)C)cc1 40069858 IHTMCNWXADQJBV-CQSZACIVSA-N 312.413 3.594 0 40 DHAB CCOC(=O)c1ccc(OC(F)(F)F)cc1Br 47203141 KZYMJZRQLXDFIR-UHFFFAOYSA-N 313.069 3.524 0 40 DHAB CCc1ccc(CNC(=O)N[C@H]2CCOc3ccccc32)s1 47867430 HMLWABSMJWOJOT-HNNXBMFYSA-N 316.426 3.634 0 40 DHAB COc1ccc([C@H]2CCCN2Cc2nc(C)c(C)o2)c(OC)c1 49983016 XURZIMDMQYNOKW-MRXNPFEDSA-N 316.401 3.646 0 40 DHAB C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)C1CCCCCC1 56769253 JJPUKOJLQNSQLW-CQSZACIVSA-N 304.434 3.687 0 40 DHAB C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 57413197 GMZYVXRSPFGBTE-LLVKDONJSA-N 303.793 3.602 0 40 DHAB Cc1cc([C@H](C)NC(=O)CCC(=O)c2cccs2)c(C)o1 58283103 BIQAEJAXAWVHHF-NSHDSACASA-N 305.399 3.798 0 40 DHAB CCC(CC)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 58407172 RUAMOLDZCOBHEG-AWEZNQCLSA-N 308.491 3.513 0 40 DHAB Cc1nc(C(F)(F)F)ccc1C(=O)N(C)[C@H](C)c1cccnc1 68173573 HWWIJHAUKUYSQX-LLVKDONJSA-N 323.318 3.637 0 40 DHAB CC(C)N1CC[C@@H](Nc2nc(C(F)(F)F)nc3ccccc23)C1 69000747 DVNWDSIJVYVQKU-LLVKDONJSA-N 324.350 3.543 0 40 DHAB Cc1cccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 69442721 OQQBAQWXNXHTSB-HNNXBMFYSA-N 317.454 3.592 0 40 DHAB Cc1cnn([C@H](C)[C@H](C)NCc2cc(-c3ccccc3)no2)c1 69520684 DDRSUZLRZIGMMB-LSDHHAIUSA-N 310.401 3.586 0 40 DHAB CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 70462061 WKPOFCFUIWYRKQ-UHFFFAOYSA-N 302.717 3.812 0 40 DHAB Cc1sc2ncnc(SCC(=O)OC[C@H]3C[C@@H]3C)c2c1C 71827956 PHFYALGTPBROQG-GZMMTYOYSA-N 322.455 3.599 0 40 DHAB Cn1c([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)nc2ccccc21 71839181 KSPUAIWBYFDURB-WMLDXEAASA-N 309.413 3.593 0 40 DHAB C[C@@H](OCC1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 71899771 RRIRDLBMZDSEEP-CYBMUJFWSA-N 312.369 3.628 0 40 DHAB CCCCc1nc(C)sc1C(=O)Nc1nc2c(s1)CCC2 72405678 DBLYTXRSXMMMTA-UHFFFAOYSA-N 321.471 3.992 0 40 DHAB Cc1ccc(NCc2nc(C3CC3)no2)cc1Br 79157053 DXGOGPKIIBIRMQ-UHFFFAOYSA-N 308.179 3.630 0 40 DHAB COc1ccccc1C(=O)Nc1ccc(Br)c(F)c1 84847322 TYAVKXMIZJLCHN-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB CC(C)C(=O)Nc1nnc(Cc2cccc3ccccc23)s1 95116303 YKOKEQYKYYCKCG-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB Cc1nccn1CCCN[C@@H]1CC2(CCC2)Oc2ccccc21 95420536 FPTSUFUMLOAPIM-QGZVFWFLSA-N 311.429 3.618 0 40 DHAB c1ccc(-c2nc(Cc3nc([C@@H]4CCCCCN4)no3)co2)cc1 96001506 AGOYFEVVVSSVGL-HNNXBMFYSA-N 324.384 3.520 0 40 DHAB C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@@H](c2ccco2)C1 96441260 LGVWFPJDLYZDDW-BXUZGUMPSA-N 300.358 3.758 0 40 DHAB Cc1ccc2nc(C3CC3)cc(-c3nc([C@@H]4CCOC4)no3)c2c1 96462741 KQWZDIBYWGARSZ-CYBMUJFWSA-N 321.380 3.975 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 223372021 QDGHNKMRLFRVHL-GARXJVFOSA-N 313.441 3.638 0 40 DHAB CCNC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224153600 HEHFQVKAULOHIO-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB Cc1cc(Cl)ccc1C[C@H](OCc1ccccc1)C(=O)O 225076317 LHULDFTXAXTKBY-INIZCTEOSA-N 304.773 3.861 0 40 DHAB CCOc1ccc(CNC(=S)Nc2c(F)cccc2F)cc1 225430994 PGRXRYFWYSFJRS-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OC)cn1 225885548 IODHIFWITCBYDM-QGZVFWFLSA-N 308.422 3.794 0 40 DHAB CNc1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2c1 226271973 RLNBOHVLMQYQAO-UHFFFAOYSA-N 314.341 3.562 0 40 DHAB CC(C)(C)OC(=O)N1CCC(Cc2cccnc2Cl)CC1 257244776 IMRYDOSUQLLSBY-UHFFFAOYSA-N 310.825 3.925 0 40 DHAB CC1(C)CC=C(c2nc(-c3ccc4nc(O)[nH]c4c3)no2)CC1 333793022 DTIBUBZEIYFDCV-UHFFFAOYSA-N 310.357 3.912 0 40 DHAB O=C1/C(=C/c2ccc(Cl)cc2)NC(=S)N1c1ccccc1 358073 NNTLJNZISPOILH-UVTDQMKNSA-N 314.797 3.602 0 40 DHAB Cc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 571980 SAHSVUINIQMCTD-UHFFFAOYSA-N 316.360 3.747 0 40 DHAB COc1ccc([C@H]2CCCC[C@@H]2SCC(=O)O)cc1OC 1715784 OIZZURHKYIZIGQ-DOMZBBRYSA-N 310.415 3.548 0 40 DHAB CC(=O)Nc1ccc2c(c1Br)Cc1ccccc1-2 1724363 UDIJMISOMIYNGA-UHFFFAOYSA-N 302.171 3.979 0 40 DHAB CCOc1cc(/C=C2/C(=O)N(C)c3ccccc32)ccc1OC 3372351 HJINHONMLOAWMG-RVDMUPIBSA-N 309.365 3.611 0 40 DHAB COc1ccc(Cl)cc1NC(=O)COc1cccc(F)c1 3608695 RRBJRDNOFFCTCI-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB Cc1cc2nc3c(nc2cc1C)[C@]1(C(=O)O)CC[C@@]3(C)C1(C)C 4044963 OVYNUABZJBLWSS-MOPGFXCFSA-N 310.397 3.660 0 40 DHAB COc1cccc(CSc2nncn2-c2ccccc2F)c1 6129242 HAJOQCFGUYLNQT-UHFFFAOYSA-N 315.373 3.707 0 40 DHAB Cc1sc(NC(=O)c2ccc(CO)cc2)nc1-c1ccccc1 6550020 QXSRXPKNPRAFAZ-UHFFFAOYSA-N 324.405 3.863 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cnc2ccccc2n1 7210530 CJWUZMLLZFFMCO-UHFFFAOYSA-N 313.744 3.544 0 40 DHAB COc1ccc(C)cc1[C@H](C)NC(=O)Cc1c[nH]c2ccccc12 8128170 LUPGXEGZLIUKHG-AWEZNQCLSA-N 322.408 3.905 0 40 DHAB CCc1ccc(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cc1 8710180 JQHZIRIYFQUWCK-SFHVURJKSA-N 319.408 3.686 0 40 DHAB COc1cccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2)c1 13131744 GOKQIVPYTRFBLZ-QZTJIDSGSA-N 320.396 3.741 0 40 DHAB C[C@H](Sc1ccc(N)cc1)C(=O)N1c2ccccc2C[C@H]1C 13578894 HCDLLEKERCBFKF-OLZOCXBDSA-N 312.438 3.727 0 40 DHAB C[C@H](NC(=O)c1ccccc1N)c1ccccc1Br 14095027 MLIQYRUDFINNBD-JTQLQIEISA-N 319.202 3.522 0 40 DHAB CC(=O)c1c[nH]c(C(=O)OCc2cccc(C(F)(F)F)c2)c1 14113209 ZCDSSSRIPUWKHP-UHFFFAOYSA-N 311.259 3.593 0 40 DHAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccccc2OC)cc1 15967156 ARGLWOOAHRRULE-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)n1nnc2ccccc21 16545660 OZSJIFXRLVWBNW-UHFFFAOYSA-N 307.140 3.818 0 40 DHAB O=C(OCCOc1ccc(Cl)cc1)c1ccc(Cl)nc1 16694869 WHNDIUFRNXYLLD-UHFFFAOYSA-N 312.152 3.624 0 40 DHAB Cc1cc(C)cc(OC(=O)/C=C\C(=O)Oc2cc(C)cc(C)c2)c1 16978797 NYIVWHPQBIBSKZ-WAYWQWQTSA-N 324.376 3.987 0 40 DHAB CCOc1ccccc1[C@H]1SCC(=O)N1c1ncc(C)s1 19927019 IONWVNMKOUGAQJ-CQSZACIVSA-N 320.439 3.629 0 40 DHAB CCOc1cccc(CNC(=O)Cc2ccc(Cl)cc2)c1 20106365 ZYZIIATXDCCYEV-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB Cc1cc(NC(=O)c2ccc3ccccc3c2)cc(C(=O)O)c1O 20139123 BECQJFVVKBMHCF-UHFFFAOYSA-N 321.332 3.804 0 40 DHAB COc1cc(NC(=O)c2cccc(N)c2C)c(OC)cc1Cl 20194656 UTCDQGNFBZRDRW-UHFFFAOYSA-N 320.776 3.500 0 40 DHAB CC(C)(Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccon1 20312785 ONULPDUGANLKMF-UHFFFAOYSA-N 315.156 3.778 0 40 DHAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@H](C)C(C)C)c(C)c12 22977351 KNAZQGLFXWBIRS-SNVBAGLBSA-N 317.458 3.960 0 40 DHAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCc1ccco1 23127273 KLBIYCIHJXFNBA-UHFFFAOYSA-N 322.320 3.540 0 40 DHAB O=C(CCc1nc2ccccc2o1)OCc1ccc(Cl)nc1 24050967 KDTXIXOKCPODBH-UHFFFAOYSA-N 316.744 3.552 0 40 DHAB O=C(NCc1nc2ccccc2s1)Nc1ccc(F)cc1 24365893 NNAKOSOVEZMHLC-UHFFFAOYSA-N 301.346 3.757 0 40 DHAB Cc1cccc(NC(=O)c2ccc(OCc3cccnc3)cc2)n1 24567862 UGPWKGRFXLJVLB-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB COc1ccc(C[C@H]2NCCc3c2[nH]c2ccccc32)cc1OC 24717781 YTQGNJREACYOPU-QGZVFWFLSA-N 322.408 3.615 0 40 DHAB COc1cc(F)ccc1NC(=O)CCC(=O)c1ccc(C)s1 25310461 WUIGSBKHOQFILU-UHFFFAOYSA-N 321.373 3.806 0 40 DHAB Cc1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 25453572 CJGGGXPBPJATQY-LJQANCHMSA-N 324.424 3.973 0 40 DHAB Clc1ccc2nc(CSc3ncc4ccccn34)cn2c1 26371635 KJGSTCWFOZKOGH-UHFFFAOYSA-N 314.801 3.928 0 40 DHAB COc1ccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 26898201 LJOBMLNMLXVCET-AWEZNQCLSA-N 306.406 3.507 0 40 DHAB O=C(COc1ccc(Cl)c2cccnc12)NC1CCCCC1 28047705 OTQWIMXYNBPXEA-UHFFFAOYSA-N 318.804 3.716 0 40 DHAB CCCn1nccc1C(=O)Nc1ccc(C)cc1Br 28304167 LTNPODXBQMVZML-UHFFFAOYSA-N 322.206 3.616 0 40 DHAB Cc1ccccc1C(=O)NCc1cccc(OCC(F)(F)F)c1 32930612 DIIKXGYLYOFHJG-UHFFFAOYSA-N 323.314 3.866 0 40 DHAB O=C(Cc1ccc(-n2cccn2)cc1)NC1CCCCCCC1 32930918 NGVKNDPEWHMTOV-UHFFFAOYSA-N 311.429 3.644 0 40 DHAB Cc1cc(NC(=O)/C=C/c2csc(C)n2)n(-c2ccccc2)n1 40033955 FOLURVPSEURPIL-CMDGGOBGSA-N 324.409 3.598 0 40 DHAB Cc1cc(C)c(C)c(OCCCNC(=O)c2scnc2C)c1 40106517 LJRHVLPOLKMGFL-UHFFFAOYSA-N 318.442 3.576 0 40 DHAB CCN1CCC[C@H]1CNC(=O)c1sc2ccccc2c1Cl 44670936 FQYSQDHSCOXBEG-NSHDSACASA-N 322.861 3.769 0 40 DHAB O=C(NCC1CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 45458964 ADVPPCDDTRTBPQ-IBGZPJMESA-N 306.409 3.754 0 40 DHAB CCOC(=O)c1ccoc1CN1CCC[C@@H]1c1ccsc1 46088421 JNMMWMJCBAUWMT-CQSZACIVSA-N 305.399 3.855 0 40 DHAB COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1F 49226386 OCFBNOVQTYWZRV-UHFFFAOYSA-N 303.333 3.874 0 40 DHAB Fc1ccccc1Cn1cc(-c2cnn(-c3ccccc3)c2)cn1 49581363 AMFHXEHYNXBMGD-UHFFFAOYSA-N 318.355 3.923 0 40 DHAB Cc1ccc(C)n1NC(=O)CSc1nc2ccccc2s1 59549643 HQAQICIJWLIBIM-UHFFFAOYSA-N 317.439 3.577 0 40 DHAB CC(=O)c1c(-c2ccc(F)c(F)c2)c2cc(F)ccc2[nH]c1=O 61957975 XJLOXDSPXWORBG-UHFFFAOYSA-N 317.266 3.815 0 40 DHAB C[C@H](OCC1CC1)C(=O)Nc1ccc(N2CCCCCC2)cc1 68351022 FRPPUBLBCLUQGC-HNNXBMFYSA-N 316.445 3.821 0 40 DHAB COCc1ccccc1NC(=O)NCc1ccc(F)c(Cl)c1 69349580 WTRSSSBCEZQHFB-UHFFFAOYSA-N 322.767 3.947 0 40 DHAB CCOc1ccccc1NC(=O)c1c(C)nc2ccc(C)cn12 71459214 NUKSUDLOLPXFOL-UHFFFAOYSA-N 309.369 3.602 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)c2ncoc2C(C)C)n1 72275557 ZAFVQFRMBQTACP-GFCCVEGCSA-N 319.430 3.930 0 40 DHAB CCc1cc2c(Oc3cccc(-n4cncn4)c3)ncnc2s1 76688695 XFGIAJFYVHHAIW-UHFFFAOYSA-N 323.381 3.627 0 40 DHAB COc1csc(C(=O)N(C2CC2)[C@@H](C)c2ccccn2)c1 78974272 HIXXJWWLGPDXCT-NSHDSACASA-N 302.399 3.518 0 40 DHAB CC(C)(C)OC(=O)N1CCC2(C=Nc3ccc(F)cc32)CC1 85343548 ONSZQXHMEWIWOB-UHFFFAOYSA-N 304.365 3.810 0 40 DHAB Cc1ccc(NC(=O)CCN[C@H](C)c2cccnc2)c(Cl)c1 89669703 JJJAVRJQNBIIMB-CYBMUJFWSA-N 317.820 3.723 0 40 DHAB Cn1c(CNc2ccc(F)cc2Cl)nnc1-c1ccccc1 90371059 KGMZGGRPBYMCQZ-UHFFFAOYSA-N 316.767 3.887 0 40 DHAB CCSc1cccc(NC(=O)NC[C@@H](O)c2ccsc2)c1 95399952 WXNAVPKNEGOKGC-CQSZACIVSA-N 322.455 3.715 0 40 DHAB Cc1ccc2c(c1C)OC[C@H]2NCc1ccc(N2CCCC2)nc1 95412235 BDAZJIGDUJILSX-GOSISDBHSA-N 323.440 3.522 0 40 DHAB COc1ccccc1-c1cc2nc(Cl)nc(C#N)c2s1 95630775 OBAXOIGFKYWFQD-UHFFFAOYSA-N 301.758 3.892 0 40 DHAB CC(C)NC(=O)c1cc(-c2ccn(C(C)C)n2)n2ccccc12 96266672 FWVVGLCVTQTRKW-UHFFFAOYSA-N 310.401 3.522 0 40 DHAB O=c1c2ccc(Cl)cc2nc(S)n1-c1ccc(Cl)cc1 100438471 VKAOIGQVWXDTAX-UHFFFAOYSA-N 323.204 3.981 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100518025 UCCZEJKEPKONPP-SMHULIPUSA-N 311.425 3.750 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223249973 APPOEMTYJJYQRL-AWEZNQCLSA-N 309.409 3.983 0 40 DHAB Cc1cccc(OCCNC(=O)Cc2cccc(Cl)c2)c1C 223966544 ONFQJZVMCCBWLD-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCOC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1OC 225482231 GMGKVCXUHVLJAD-UHFFFAOYSA-N 320.776 3.851 0 40 DHAB CCCOc1c(C)cc(NC(=O)C2(OC)CCCC2)cc1C 225627112 KVTAYBRNHZNXJL-UHFFFAOYSA-N 305.418 3.990 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2F)cc1 225640449 GOMVTHKGSYHBJJ-CYBMUJFWSA-N 318.417 3.888 0 40 DHAB CCC(C)(C)NC(=S)Nc1ccc(OC)c2ncccc12 225645773 ADUUIRTZQJKODH-UHFFFAOYSA-N 303.431 3.718 0 40 DHAB CCCCC[C@@](C)(OC)C(=O)Nc1cnc(OCC)c(C)c1 225887014 NPXJXKWOKZTYMH-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c(C)n1 225889405 ZTIUUJVWAKEMNE-FZKQIMNGSA-N 320.433 3.713 0 40 DHAB Cc1ccc(CC(=O)N2CCC(C)(c3nccs3)CC2)s1 257228027 FSACVPVOCISPFX-UHFFFAOYSA-N 320.483 3.636 0 40 DHAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 408666470 PTFUEYKNXLEURT-INIZCTEOSA-N 323.392 3.516 0 40 DHAB Cc1cnc(Nc2nccc([C@H]3CCCN(C(C)C)C3)n2)s1 2037834846 XQHTYTVZQLHRIP-ZDUSSCGKSA-N 317.462 3.573 0 40 DHAB COc1cccc(C(=O)Oc2ccc(Br)cc2)c1 347275 NHPXGYFSZMGOOF-UHFFFAOYSA-N 307.143 3.677 0 40 DHAB biogenic O=C(Nc1nc2ccc(F)cc2s1)C(Cl)(Cl)Cl 558175 QBGRZOHDLOCFDL-UHFFFAOYSA-N 313.568 3.744 0 40 DHAB CC(C)c1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 815491 GQXCRQMPKDNXTG-UHFFFAOYSA-N 313.785 3.635 0 40 DHAB CCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C 4050130 ZKJDEGGXLXMDOZ-UHFFFAOYSA-N 321.467 3.952 0 40 DHAB CSc1nc2ccc3nc(NC(=O)C4CC4)sc3c2s1 4134743 DDKQJMYBALKRTG-UHFFFAOYSA-N 321.452 3.976 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3F)o2)c(C)c1 4479465 FVFABVVIPIUUHW-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB CCn1c(CNC(=O)CCc2ccccc2)cc2ccccc21 4973461 LLTAVGSWAHDSRA-UHFFFAOYSA-N 306.409 3.910 0 40 DHAB O=C(NC1CC1)c1ccccc1OCc1ccc(Cl)cc1 5062287 HDLATYNMULDFQY-UHFFFAOYSA-N 301.773 3.811 0 40 DHAB COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)c(OC)c1 5108937 GQCAQQRJCNQQEN-UHFFFAOYSA-N 322.364 3.747 0 40 DHAB Cc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c(C)c1 6811208 UYTAIZGRJSVSOZ-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Cc1c(NS(C)(=O)=O)cccc1-c1nc2ccccc2s1 8586585 LDZDCJRAZWCGFT-UHFFFAOYSA-N 318.423 3.643 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1ccc2ccccc2n1 8718968 XPKDFBLNWSMRHG-ZDUSSCGKSA-N 306.365 3.734 0 40 DHAB O=C(O)[C@@H](Oc1ccccc1Br)c1ccccc1 11887825 ZQWOGBQVPWTKDG-ZDUSSCGKSA-N 307.143 3.654 0 40 DHAB O=c1oc2ccccc2n1CCOc1ccc(Cl)cc1Cl 12894289 NMFIMZUWFSUSQK-UHFFFAOYSA-N 324.163 3.980 0 40 DHAB Cc1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccccc2)cc1 16739316 LWIPPCWZUCNHCH-OAQYLSRUSA-N 321.444 3.645 0 40 DHAB Cc1cccc(C)c1NC(=O)c1cn(C)c2ccc(F)cc2c1=O 22236224 SWZBOKCNMUXUIH-UHFFFAOYSA-N 324.355 3.547 0 40 DHAB CN(C)Cc1ccccc1NC(=O)CCc1ccccc1Cl 24809002 UCSCLVNZQOHRNI-UHFFFAOYSA-N 316.832 3.973 0 40 DHAB COc1ccc2nc(C)c(C(=O)N[C@H]3CCCC[C@@H]3C)cc2c1 25767518 MZCVRRJRXJOISL-SJCJKPOMSA-N 312.413 3.860 0 40 DHAB CCCCC(=O)NC[C@H](c1cccs1)N1CCCCCC1 27662485 WITHJCXUNDLCMN-OAHLLOKOSA-N 308.491 3.972 0 40 DHAB O=C1CCc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2N1 32836487 AZTVTPJAOLBFMF-UHFFFAOYSA-N 318.735 3.616 0 40 DHAB O=C(Cc1ccc(-n2cccc2)cc1)NCCc1ccc(F)cc1 36391634 FJADLGBBMGKIRP-UHFFFAOYSA-N 322.383 3.518 0 40 DHAB O=C1Nc2ccccc2[C@@H]1Cc1ccccc1OC(F)(F)F 40267800 MIUHUZKJYJKHTQ-LBPRGKRZSA-N 307.271 3.864 0 40 DHAB O=C(c1ccc(C2OCCO2)cc1)c1ccccc1C(F)(F)F 43212667 AHEMQSWVFQZUBT-UHFFFAOYSA-N 322.282 3.982 0 40 DHAB Cc1ccsc1C(=O)Nc1cccc(Oc2ncccn2)c1 46292610 UFXTYEPGUARKSR-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB CN(CCc1ccccc1)C(=O)NCc1ccc(Cl)s1 46996041 GEOROUYWVSPCAJ-UHFFFAOYSA-N 308.834 3.786 0 40 DHAB COc1ccc(NC(=O)N(Cc2ccc(C)cc2)C2CC2)cn1 48018536 JSBIZHUZRREQLO-UHFFFAOYSA-N 311.385 3.595 0 40 DHAB O=C(Nc1cc(F)ccc1F)N[C@H]1CCOc2ccccc21 53961607 IGIMEEKKWDMBDZ-ZDUSSCGKSA-N 304.296 3.610 0 40 DHAB CCc1nc(CN(C)C(=O)N[C@@H](C)c2cccc(F)c2)cs1 58197983 BZXJKOOBFCEWRC-NSHDSACASA-N 321.421 3.747 0 40 DHAB O=C1c2cccc3cccc(c23)N1C[C@H](O)c1ccc(F)cc1 58264311 UACUTLDPPAHFEY-KRWDZBQOSA-N 307.324 3.673 0 40 DHAB CCOP(=O)(OCC)[C@]1(CCc2ccccc2)CCCN1 65740225 CXXMSYDQTYFTPW-INIZCTEOSA-N 311.362 3.965 0 40 DHAB in-vitro COc1cccc(CCCNC(=O)CSc2ccccc2)c1 66436609 BJHURUOLWDIFBG-UHFFFAOYSA-N 315.438 3.536 0 40 DHAB O=C(c1ccoc1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 69414581 YTUUAGUYVVANQS-MOPGFXCFSA-N 324.424 3.549 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)NCCc2cccs2)cc1C 70815680 RPDURWMWNGVJKC-CQSZACIVSA-N 302.443 3.524 0 40 DHAB CCN(CC)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72212844 JUBGUQIYUMYRKS-GOSISDBHSA-N 323.440 3.905 0 40 DHAB Cc1ccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 72331217 FYIPIVMREBHKHU-UHFFFAOYSA-N 308.425 3.574 0 40 DHAB C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1cccnc1 76467518 UMHWBIQCPTWKFY-AWEZNQCLSA-N 316.832 3.757 0 40 DHAB CCOCCC1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2C)CC1 77003181 OTIWRMZYOPRKCU-OALUTQOASA-N 315.457 3.764 0 40 DHAB COc1cccc([C@H](C)CC(=O)N(Cc2ccncc2)C2CC2)c1 84585219 UVSLLEWZTUONGI-OAHLLOKOSA-N 324.424 3.775 0 40 DHAB CCc1ccsc1CNC(=O)[C@H]1C[C@H]1c1cccc(F)c1 87464738 ARSXHJVSEFVAOL-GJZGRUSLSA-N 303.402 3.870 0 40 DHAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3cccn3C)C2)n1 89893526 FFSGLFUWKGRAEM-CYBMUJFWSA-N 317.458 3.625 0 40 DHAB COc1ccc([C@@H](OC)[C@H](C)NCc2ccccc2OC)cc1 95459058 ULAXSTQSVWGPCE-LIRRHRJNSA-N 315.413 3.570 0 40 DHAB COc1cc(C(=O)c2cccc(Cl)c2)cc(OC)c1OC 95916619 ZSQDRIZVFQSWTL-UHFFFAOYSA-N 306.745 3.597 0 40 DHAB COc1ccc(OC)c(COC(=O)Cc2c(C)cccc2C)c1 95990436 XAFYKCZMGYCDGD-UHFFFAOYSA-N 314.381 3.607 0 40 DHAB CC(C)c1nc(CSc2ncccc2Br)no1 96411982 PSHGHELXLOUZFT-UHFFFAOYSA-N 314.208 3.643 0 40 DHAB Clc1ccc(CNc2ccc(-n3cncn3)c(Cl)c2)cn1 96453489 SBHXXYNHFPQRTE-UHFFFAOYSA-N 320.183 3.581 0 40 DHAB Cc1nnc(CN[C@H](C)C(c2ccccc2)c2ccccc2)o1 97110480 MEXPWVZXGOTMLS-CQSZACIVSA-N 307.397 3.688 0 40 DHAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cnn(C)c2)o1 97114770 KRKRCIQEZCQMBO-DOMZBBRYSA-N 316.405 3.581 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987012 WWTOWJSXIYROPR-BFLSOPEQSA-N 313.228 3.943 0 40 DHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc3nccn3c2)o1 173557476 JBYKTJGLPKEMRS-CZUORRHYSA-N 323.396 3.849 0 40 DHAB Fc1cc(Cl)ccc1CNc1cnn(Cc2ccccn2)c1 189310388 QAEUMICWAXMHAR-UHFFFAOYSA-N 316.767 3.731 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)c2ccc3c(c2)CCCC3)c1 224114026 YREDPJYNJOTJMM-UHFFFAOYSA-N 323.436 3.991 0 40 DHAB O=C(NC1CCCC1)c1snnc1-c1ccc(Cl)cc1 225768725 VGYMUKVWKBKUOF-UHFFFAOYSA-N 307.806 3.531 0 40 DHAB CCCCC[C@@](C)(OCC)C(=O)Nc1cnc(OC)c(C)c1 225897816 LJILQJGZKZJBHH-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB CCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl 226287404 BYEXNGLKWGFASW-UHFFFAOYSA-N 314.772 3.849 0 40 DHAB O=C(O)c1ccccc1-c1ccc(CN2CCCCC2=O)cc1 257316213 VEPKMJKNWVGDFI-UHFFFAOYSA-N 309.365 3.564 0 40 DHAB CC[C@@H](C(=O)OC)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616292 HSEWCIMDIAEQOE-OCCSQVGLSA-N 305.418 3.739 0 40 DHAB Cc1nnc(Sc2ccccn2)n1-c1ccc(Cl)cc1 409100120 PXXDVRIBFYGUPC-UHFFFAOYSA-N 302.790 3.775 0 40 DHAB OCc1c(Br)cc(C(F)(F)F)cc1C(F)(F)F 514250875 FLZACGOUXZJKNS-UHFFFAOYSA-N 323.030 3.979 0 40 DHAB O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1 572931212 LGGGVLOUCPYRQS-LSDHHAIUSA-N 316.198 3.735 0 40 DHAB Cc1cc(OCC2CCN(c3nc4ccccc4o3)CC2)ccn1 1775968871 XTBSQIIDWARDKW-UHFFFAOYSA-N 323.396 3.827 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)nc1 1775995564 UOOSZPDPCAARMK-BETUJISGSA-N 310.319 3.814 0 40 DHAB Cc1cc(C(=O)Nc2ccc(F)cc2Cl)nc(C2CC2)n1 1889125215 ZUTDZWDTOLTBPK-UHFFFAOYSA-N 305.740 3.707 0 40 DHAB CCCC(=O)NCc1nc2ccccc2n1Cc1ccccc1C 1927050 VYXVEEJZDXCPJS-UHFFFAOYSA-N 321.424 3.809 0 40 DHAB Cc1ccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc1 2715809 VLEGMDCUZMTFIV-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB CCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 2741550 ZBGYIWTVFVZYSR-LLVKDONJSA-N 322.474 3.881 0 40 DHAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc2ccccc2c1 4157339 GIDIEUDYRSCPEQ-WTTBNOFXSA-N 309.365 3.525 0 40 DHAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1ccccc1Cl 4671131 LIXPZIQONOIOAF-LBPRGKRZSA-N 303.745 3.537 0 40 DHAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccccc1F 5441629 GYOKEKRVOWNJPD-UHFFFAOYSA-N 312.344 3.595 0 40 DHAB COc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5557221 MUHGCWVSNGLNFH-UHFFFAOYSA-N 313.441 3.713 0 40 DHAB Cc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1 6755157 FRCAYFBYNOBGIV-UHFFFAOYSA-N 302.443 3.823 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2Cl)c1 7305115 XDPFBQJNCJFPQT-CYBMUJFWSA-N 323.845 3.996 0 40 DHAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1 7548827 BQJGAGGLGXXGRZ-GOSISDBHSA-N 310.397 3.949 0 40 DHAB O=C(NCc1ccccn1)c1ccc(SC(F)(F)F)cc1 7847840 IMOSVKKNRKEEND-UHFFFAOYSA-N 312.316 3.624 0 40 DHAB CC(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 8014194 GTQAWTGUFGEBSY-GFCCVEGCSA-N 324.380 3.782 0 40 DHAB COC(=O)c1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2)cc1 9366224 DAIUUKGFKOOUPD-GOFCXVBSSA-N 323.392 3.706 0 40 DHAB Cc1cc(C)cc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1 12543138 JRGZEKHAIRDUNA-UHFFFAOYSA-N 308.425 3.574 0 40 DHAB CC(=O)c1cccc(NC(=O)CCOc2ccc(C)c(C)c2)c1 13012772 WFGSVZSUUWPOAL-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB CN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1cccc(F)c1 13072782 HWQMCXOFJBDYSS-UHFFFAOYSA-N 324.758 3.689 0 40 DHAB COc1ccc(OC)c(C(=O)Nc2cccc3c2CCCC3)c1 15355807 XYBGMIWNGSYLBT-UHFFFAOYSA-N 311.381 3.835 0 40 DHAB Cc1cc(COC(=O)c2cccnc2Oc2ccccc2)no1 17155425 JJOISJSTFCULRZ-UHFFFAOYSA-N 310.309 3.527 0 40 DHAB CCCCNC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245650 DRMAXNUKHWIKLW-UHFFFAOYSA-N 307.394 3.864 0 40 DHAB Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cn1 22415282 HJAUSUMWMMHPCR-UHFFFAOYSA-N 320.396 3.718 0 40 DHAB Cc1cccc(CNC(=O)CSCc2ccc(F)cc2)c1 22516784 MWRIPFAQTZZVTJ-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C)no2)cc1 24393547 FYLZNRLTMWASBK-INIZCTEOSA-N 314.385 3.749 0 40 DHAB Cc1cc([C@@H]2CCCN2c2ncnc3sc(C)c(C)c23)no1 29527155 VQPYMNQMRXSTFF-ZDUSSCGKSA-N 314.414 3.946 0 40 DHAB CC(C)(C)c1noc(CCCC(=O)Nc2ccccc2Cl)n1 33145401 IOAMOVAHWAEIJS-UHFFFAOYSA-N 321.808 3.982 0 40 DHAB O=C(c1ccc2nsnc2c1)N(Cc1ccsc1)C1CC1 44446564 MPPHNFXPCOBSTG-UHFFFAOYSA-N 315.423 3.558 0 40 DHAB Cc1ccccc1C1(CNC(=O)[C@@H]2CC=CCC2)CCOCC1 55760812 PPXWHXFGKZLZIS-QGZVFWFLSA-N 313.441 3.516 0 40 DHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCCCc2ccccc21 58391786 SHDTVOFKIBFMMM-UHFFFAOYSA-N 318.376 3.511 0 40 DHAB CCCO[C@@H]1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 58429331 ZRGKNGBYAQDJQW-MRXNPFEDSA-N 314.429 3.816 0 40 DHAB O=C(CCc1ccc(F)cc1)NCCOc1ccc(Cl)cc1 60906259 HHZLJBWCXCYYAZ-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB Cn1cnnc1SCc1ccc(Cl)cc1Br 71905179 REHKIMZXXOXDJL-UHFFFAOYSA-N 318.627 3.523 0 40 DHAB CC(=O)N1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 72212990 GRUINCSPJZAZSC-KRWDZBQOSA-N 303.450 3.778 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C 72214812 PPDBHDODHIOFBK-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc3ccccc3o2)C1(C)C 72304564 MEAWEWPLQRSVCF-YJBOKZPZSA-N 301.386 3.708 0 40 DHAB Cc1cccc(C(C)(C)CNC(=O)[C@@H](C)N2CCCCCC2)c1 78714947 BZTSPLXPXJFJHW-QGZVFWFLSA-N 316.489 3.653 0 40 DHAB O=C(c1cccc(Cl)c1)N1CC(Cc2ccc(F)cc2F)C1 85463634 ONJYLNGBQMACHR-UHFFFAOYSA-N 321.754 3.933 0 40 DHAB O=C(NCc1ccncc1)[C@@H]1C[C@@H]1c1cccc2ccccc12 89873212 BSDZZDIITXMLDZ-RTBURBONSA-N 302.377 3.655 0 40 DHAB CCNC(=O)c1ccc(CN[C@@H](C)c2cc(F)ccc2F)cc1 89977508 QXNXDXFAKOJSDA-LBPRGKRZSA-N 318.367 3.565 0 40 DHAB Cc1cccc([C@@H]2CCCN2Cc2c(C)nc3sccn23)n1 93445058 UESQHNWSSWSOSS-HNNXBMFYSA-N 312.442 3.745 0 40 DHAB Cc1cc2ccccc2nc1NCc1ccc([S@](C)=O)cc1 95426322 SIDWOGJMPBOFJR-JOCHJYFZSA-N 310.422 3.893 0 40 DHAB C[C@@H]1C[C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)CCO1 95457626 XWPAHWYINYZIJX-ZJUUUORDSA-N 317.216 3.930 0 40 DHAB Cc1ccccc1OS(=O)(=O)c1c(C)ccc2cccnc12 95465709 FLKDWICTSMMBEC-UHFFFAOYSA-N 313.378 3.619 0 40 DHAB Cc1ccc2[nH]c([C@H]3CCCN(Cc4c(C)noc4C)C3)nc2c1 95977346 YVQQKNZCUULKBI-HNNXBMFYSA-N 324.428 3.856 0 40 DHAB CN(Cc1cnccn1)C(=O)Nc1cccc(-c2ccsc2)c1 96410630 ROFDIDLYXHSYLF-UHFFFAOYSA-N 324.409 3.869 0 40 DHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2ccncc2)o1 96433157 UESZHJKLQSQZGC-RHSMWYFYSA-N 312.413 3.915 0 40 DHAB Cc1cccc(N2C(=O)C[C@H](c3cn(C)c4ccccc34)C2=O)c1 100748903 VLLNKNUCPLIXSP-MRXNPFEDSA-N 318.376 3.534 0 40 DHAB biogenic O=C(N[C@H]1CCSc2ccc(F)cc21)[C@@H]1C[C@H]2C=C[C@H]1C2 101410562 WJYUQHBMPRWSSS-MEDZGJRSSA-N 303.402 3.691 0 40 DHAB O=c1c2cc(F)ccc2nc(S)n1Cc1ccccc1Cl 103964092 IJMSGFMGVOQJTA-UHFFFAOYSA-N 320.776 3.526 0 40 DHAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113954706 FGLOMJVAZHMBEL-KCYZZUKISA-N 301.430 3.882 0 40 DHAB O=C(c1ccno1)N1CCS[C@H](c2ccccc2Cl)CC1 206990227 SDTHXRYWLWAQDA-AWEZNQCLSA-N 322.817 3.648 0 40 DHAB Cc1c(C(N)=O)c2ccccc2n1Cc1c(F)cccc1Cl 216948565 ZQTPTXGRHNWBJV-UHFFFAOYSA-N 316.763 3.889 0 40 DHAB Cc1ccc(CCCNC(=O)COc2ccc(C)cc2C)cc1 222826678 XUYCYPMQTWVHLI-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB Cc1ccc(N(C)C(=O)COc2ccc(Cl)cc2)cc1C 222971665 SUPJBBKUMLXFGT-UHFFFAOYSA-N 303.789 3.999 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCC1 223272456 CCHZQRUHIKTJPE-CQSZACIVSA-N 301.430 3.782 0 40 DHAB Cc1ccc(OCCCC(=O)NCCSC2CCCC2)cc1 223563259 QWPULYCEJJWNII-UHFFFAOYSA-N 321.486 3.946 0 40 DHAB CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641174 ARVIATUKSYMBQZ-UHFFFAOYSA-N 305.418 3.928 0 40 DHAB CC(=O)N1CCC[C@@H]1c1cccc(-c2ccc(F)c(F)c2)n1 257332307 XWRVEIXBLCUSOH-QGZVFWFLSA-N 302.324 3.710 0 40 DHAB Cc1cccc(-c2nnc(SCc3cc(C)ccc3C)n2N)c1 529798 MWQUHNCIBKMMHZ-UHFFFAOYSA-N 324.453 3.876 0 40 DHAB O=C1O[C@@H](Nc2ccc(Br)cc2F)c2ccccc21 552952 FPDLABTWASHSOM-CYBMUJFWSA-N 322.133 3.869 0 40 DHAB CCC(=O)c1ccc(OC)c(OC)c1OCc1ccccc1 1644015 LWGIDGWAQKBRAB-UHFFFAOYSA-N 300.354 3.876 0 40 DHAB COc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 2518068 NETZMRFTWQQOKK-UHFFFAOYSA-N 306.402 3.837 0 40 DHAB CC(C)(C)c1ccccc1NC(=S)NC(=O)c1ccco1 3225919 NFUVONQLXUODFY-UHFFFAOYSA-N 302.399 3.704 0 40 DHAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(Cl)cc1 3512078 MSAPYVMPQLJMLI-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1nn(C)c2c1[C@H](c1ccc(Cl)cc1)SCC(O)=N2 3652473 TUQALYJVDBQXKO-ZDUSSCGKSA-N 307.806 3.806 0 40 DHAB Cc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCO3 4325804 UJTFPLWYAKEZBG-UHFFFAOYSA-N 312.350 3.586 0 40 DHAB O=C(/C=C/c1ccco1)Nc1ccc(CN2CCCCC2)cc1 4554768 DPZFDPKEZQSFBL-ZHACJKMWSA-N 310.397 3.917 0 40 DHAB CCCn1cnc2cc(NC(=O)COc3ccccc3C)ccc21 4941590 ODPIXPXSVGIVGB-UHFFFAOYSA-N 323.396 3.772 0 40 DHAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 4975898 WPHMBVXWSZVGQQ-HNNXBMFYSA-N 314.429 3.540 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccco1 5858248 AVQLFZCIXHNSGO-GFCCVEGCSA-N 301.342 3.589 0 40 DHAB Oc1ccc(Cl)cc1-c1nc2ncc(Br)cc2[nH]1 6550333 VHTJLYHVTCRKLT-UHFFFAOYSA-N 324.565 3.746 0 40 DHAB Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 7929320 GPVVVVHRJDKQIT-INIZCTEOSA-N 323.392 3.570 0 40 DHAB COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCC[C@@H]1C 7984372 UZGYTWUPCGXNQM-KKUMJFAQSA-N 304.434 3.581 0 40 DHAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1cccs1 8132086 CKUNGYXZRUGHJW-UHFFFAOYSA-N 305.428 3.527 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(OC)c1 8493001 KDZQMMVHJXSKAJ-OAHLLOKOSA-N 303.333 3.630 0 40 DHAB COC(=O)c1sccc1Oc1ccc(NC(=O)C2CC2)cc1 8887759 SDCZAIFFWWOOEL-UHFFFAOYSA-N 317.366 3.676 0 40 DHAB CC(=O)c1ccc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)cc1 9321876 ZYGDEQURMZFEHY-UHFFFAOYSA-N 324.311 3.936 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(F)c(Cl)c1 10409294 VFGBUAOBUZUCIQ-UHFFFAOYSA-N 321.735 3.779 0 40 DHAB CCOc1ccc(CNC(=O)CCc2ccc(CC)cc2)cc1 10448897 STUCETDFSSJKQL-UHFFFAOYSA-N 311.425 3.897 0 40 DHAB Cc1ccc(CN2CCC(c3n[nH]c4ncccc34)CC2)s1 12143426 JNVHUDCUQGCBMJ-UHFFFAOYSA-N 312.442 3.707 0 40 DHAB Cc1ccc2c(c1)c(C)c(C(=O)NCCCc1ccccn1)n2C 12148610 YSXJMPYRYJRVMA-UHFFFAOYSA-N 321.424 3.553 0 40 DHAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccs1 12620595 OUVRLHRYGNXHDJ-ZETCQYMHSA-N 307.849 3.503 0 40 DHAB O=C(Nc1ccccc1N1CCCC1=O)c1cc2ccccc2o1 12679206 WXTGNLHAVACLOH-UHFFFAOYSA-N 320.348 3.812 0 40 DHAB Cc1ccccc1-c1noc(-c2cc3cc(F)ccc3oc2=O)n1 12945984 JCSSTMREAKMSSB-UHFFFAOYSA-N 322.295 3.958 0 40 DHAB C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)C1CC1 14141530 YBHIYVZMZPZTLG-NSHDSACASA-N 314.410 3.529 0 40 DHAB Fc1cccc(-c2nnc3sc(/C=C/c4cccnc4)nn23)c1 15107760 HMNSNAFWXCOAES-VOTSOKGWSA-N 323.356 3.557 0 40 DHAB C=C/C=C\c1nc(NC(=S)Nc2nc3ccccc3[nH]2)[nH]c1C 16264946 CZEHICHSNSBEQF-DAXSKMNVSA-N 324.413 3.603 0 40 DHAB Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 16449402 HMDLZUPVPOQOSG-UHFFFAOYSA-N 324.163 3.615 0 40 DHAB O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(F)c1)CCC3 17054621 SWAOKEOLYQOJPD-UHFFFAOYSA-N 318.398 3.738 0 40 DHAB Cc1ccc(F)cc1NC(=S)Nc1ccc2c(c1)OCCO2 17449772 LFMBPFVTXWMPOB-UHFFFAOYSA-N 318.373 3.714 0 40 DHAB CCC[C@H](C)NC(=O)c1csc(COc2ccc(C)cc2)n1 24471227 ANUMXYWVAHPHTH-ZDUSSCGKSA-N 318.442 3.949 0 40 DHAB CN(C)C(=O)c1ccc(NCc2ncc(-c3ccccc3)o2)cc1 25166773 ACLNEJUSMQJHTK-UHFFFAOYSA-N 321.380 3.656 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@H](c2ccccc2)C1 27910066 MANJMVHCMBAXLP-SFHVURJKSA-N 320.392 3.690 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc3ccccc3[nH]2)c1 30274474 ZRXOPJCAYVMCJH-LBPRGKRZSA-N 321.380 3.617 0 40 DHAB O=C(CCC(=O)c1ccccc1)Nc1nc2c(s1)CCCC2 30765296 NFRZFZVZQLEICD-UHFFFAOYSA-N 314.410 3.624 0 40 DHAB CCC(=O)c1ccc(OCc2noc(-c3ccsc3)n2)cc1 31681102 DOGQEGNKCWFTGO-UHFFFAOYSA-N 314.366 3.970 0 40 DHAB CC[C@H](C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 32832249 OUSMHXDHUARPMT-ZDUSSCGKSA-N 314.385 3.654 0 40 DHAB CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)c1cccs1 32862342 YGRZDDKGEYBLRY-OAHLLOKOSA-N 318.398 3.996 0 40 DHAB Cc1cc(Cl)cc2sc(NCCCn3ccnc3)nc12 34936055 GHYGKJLLBASXLZ-UHFFFAOYSA-N 306.822 3.957 0 40 DHAB O=C(c1cc(Br)c[nH]1)N1CCC[C@@H]1c1ccccc1 37497500 OOMKQURILNXYCH-CQSZACIVSA-N 319.202 3.755 0 40 DHAB Cc1ccc(OCCCCNC(=O)c2ccc(C)s2)cc1 40122456 FATKSUDKBOCWGA-UHFFFAOYSA-N 303.427 3.954 0 40 DHAB Cc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1C 40157417 JWCFPDGMGFEIDS-AWEZNQCLSA-N 307.397 3.600 0 40 DHAB Clc1cccc(OCCOc2ccc(-c3nnco3)cc2)c1 40159354 SSKBPCGVDDMVPP-UHFFFAOYSA-N 316.744 3.848 0 40 DHAB Cc1cc([C@H](C)NCc2cnc3[nH]nc(C)c3c2)c(C)s1 48355074 KMLQOSMYZLJILO-JTQLQIEISA-N 300.431 3.795 0 40 DHAB CC(C)N(Cc1cnn(C)c1)Cc1ccc(F)c2cccnc12 55919855 DFAZUTSKOJQRBK-UHFFFAOYSA-N 312.392 3.518 0 40 DHAB Cc1ccc(C)c2c(C)c(C(=O)N(C)C3CCN(C)CC3)oc12 56379944 ZJVIHFLLRGRRMR-UHFFFAOYSA-N 314.429 3.524 0 40 DHAB CCc1nc(CN(C)C(=O)N[C@H](C)c2cccc(F)c2)cs1 58197985 BZXJKOOBFCEWRC-LLVKDONJSA-N 321.421 3.747 0 40 DHAB CCN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)c1ccc(C)cc1C 58377904 LWJJWYIQNLRBSD-AWEZNQCLSA-N 313.445 3.810 0 40 DHAB CCN(C)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 58426927 BMRNBHKKIUADSU-UHFFFAOYSA-N 305.381 3.943 0 40 DHAB C[C@@H](NCc1nc2ccccc2n1C)c1ccc(F)cc1F 66969996 FCOLKADTFPFRFD-LLVKDONJSA-N 301.340 3.702 0 40 DHAB CCSc1nc2ccsc2c(=O)n1Cc1ccccc1F 67259878 DPMSCDJMGWABEP-UHFFFAOYSA-N 320.414 3.757 0 40 DHAB CN1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 73414518 KRUBBHUCMPIMGF-UHFFFAOYSA-N 322.452 3.557 0 40 DHAB Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(C)s1 84081753 LRMVBYXGPMEKFY-CYBMUJFWSA-N 317.414 3.603 0 40 DHAB CC(=O)c1ccc(OCc2ccc(Cl)cc2)c(C(=O)O)c1 85397468 ZVFVIINAGYNPEI-UHFFFAOYSA-N 304.729 3.820 0 40 DHAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1CCOCC1 95440398 XUQAFCLCPQTUNK-GFCCVEGCSA-N 310.463 3.521 0 40 DHAB C[C@@H](CNc1nc(-c2ccccc2Cl)cs1)[S@@](C)=O 96009753 GBALDOHNQQEWMS-UGZDLDLSSA-N 314.863 3.642 0 40 DHAB COCc1noc([C@H](C)Sc2nnc(C3CCCCC3)o2)n1 97085446 GIRYTHLXXSDIHN-VIFPVBQESA-N 324.406 3.500 0 40 DHAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CC[C@H]2C[C@@H]1CCCC[C@]13O4 100741968 NYWUQKFITQFOEY-CMYNRUGDSA-N 304.430 3.741 0 40 DHAB Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3ncnc3N2)cc1 100834881 MDIULAIQZRCZJX-GOSISDBHSA-N 302.381 3.951 0 40 DHAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 195543019 CKDOXQLTSQDWES-QDEZUTFSSA-N 309.413 3.663 0 40 DHAB COc1ccc(CCC(=O)NCc2ccccc2Cl)cc1C 223612760 WZFYQTGWUXBRCL-UHFFFAOYSA-N 317.816 3.906 0 40 DHAB Cc1ccc(CC(=O)NCCOc2ccc(Cl)cc2)cc1C 224239307 VGQLINFQVOLFLA-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB COc1cc(C)c(CN2[C@H]3CC[C@H]2c2cnc(C)nc2C3)cc1C 247921583 ODFYFVAOVLTWEU-LPHOPBHVSA-N 323.440 3.672 0 40 DHAB CC(=O)NCc1cccc([C@H]2CCCN2C2CCCCCC2)n1 257213914 CJRBSINFCOAXBW-LJQANCHMSA-N 315.461 3.577 0 40 DHAB Cc1ccc(C(=O)N2CC[C@H](C(=O)O)c3ccccc32)cc1C 322742436 YZUKNLPYVPRBAJ-INIZCTEOSA-N 309.365 3.522 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)c3occ4c3CCC4)c2)n1 505420543 JLUGYHQBOLAFBB-UHFFFAOYSA-N 319.364 3.786 0 40 DHAB CCCOc1ccc(-c2nnc([C@H]3CCCCO3)o2)cc1OC 521393843 MRBMTVRRDCNYPP-CQSZACIVSA-N 318.373 3.776 0 40 DHAB C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc3c(c2)CCO3)C1 524169147 APFVICHXDFDUKG-NRFANRHFSA-N 321.420 3.815 0 40 DHAB O=C(NCc1ccc(OC2CCCC2)nc1)[C@H]1CC12CCCC2 531330088 NVQRBSXIWVUVPM-MRXNPFEDSA-N 314.429 3.600 0 40 DHAB CCCc1nn(C)c(C(=O)Nc2ccc(Cl)cc2)c1Cl 385492 TUXDIICIQIFUCK-UHFFFAOYSA-N 312.200 3.932 0 40 DHAB Cc1ccc(-c2nnc(SCc3cc(C)ccc3C)n2N)cc1 527990 XYQGNGXHEOHCKP-UHFFFAOYSA-N 324.453 3.876 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C)c(C)c1 574310 DJKNGTCLKPWISU-ZHACJKMWSA-N 311.381 3.973 0 40 DHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)nc1 1353241 WXVMKMHSGQUIKS-UHFFFAOYSA-N 317.776 3.582 0 40 DHAB CCCCCCOC(=O)Nc1ccc(S(=O)(=O)CC)cc1 1698193 QOMOXXWUMNFYPV-UHFFFAOYSA-N 313.419 3.609 0 40 DHAB COc1cccc(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1OC 1711318 RENOGJSUOODSNX-HOCLYGCPSA-N 318.413 3.985 0 40 DHAB CCOC(=O)N1N=N[C@H](C)[C@@]1(c1ccccc1)N1CCCCC1 1720308 UUYWXVKCDSRUDH-RHSMWYFYSA-N 316.405 3.553 0 40 DHAB COC(=O)[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 2543606 JUFDDTMHEXOCIJ-OAHLLOKOSA-N 307.349 3.698 0 40 DHAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(C)c2C)cc1 2620490 XGEMWHZHANBUHL-UHFFFAOYSA-N 316.426 3.575 0 40 DHAB Cc1c(Cl)c(-c2nnc(Cc3cccc(Cl)c3)o2)nn1C 2804628 RHOADHNMCSRFSL-UHFFFAOYSA-N 323.183 3.676 0 40 DHAB COc1ccccc1CN(C)C(=O)c1cc(Cl)ccc1OC 3440487 CLYSJOIHWQTXFO-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2F)cc1 3458484 PHXGVRSYOHFEFT-UHFFFAOYSA-N 315.388 3.818 0 40 DHAB COC(=O)c1cc(Cl)ccc1NC(=O)CCc1cccs1 4540251 BZAWWNICYXLSDD-UHFFFAOYSA-N 323.801 3.759 0 40 DHAB CCOC(=O)c1ccc2c(c1)nc(-c1ccccc1)c1nccn12 4864561 HPLOZXPXDRWOMC-UHFFFAOYSA-N 317.348 3.726 0 40 DHAB CC[C@@H]1CCCCN1CC(=O)c1c(C)[nH]c2ccc(OC)cc12 5024851 ICQLMOAFMAOMME-CQSZACIVSA-N 314.429 3.932 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N2CCc3ccccc32)n1 7195923 JYNDAANGIYEIDE-LLVKDONJSA-N 304.440 3.521 0 40 DHAB COc1ccc(SCC(=O)N2c3ccccc3C[C@H]2C)cc1 7789994 BYLWHKDTLZZGNZ-CYBMUJFWSA-N 313.422 3.765 0 40 DHAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCc2ccccc2C1 8118276 YCJXVUMOBJUAKT-CYBMUJFWSA-N 314.816 3.725 0 40 DHAB C[C@H]1CCCN(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)C1 8134367 CHBXIEPDPQIAPB-JTQLQIEISA-N 323.849 3.567 0 40 DHAB COc1cccc(CNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 8248845 WZLSNHPUPYPVQB-LBPRGKRZSA-N 315.438 3.812 0 40 DHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCC1=CCCCC1 8477817 ZGFAEEKGGIGNAY-INIZCTEOSA-N 317.429 3.859 0 40 DHAB COc1ccc(C)cc1NC(=O)C(C)(C)Oc1ccc(F)cc1 9447795 SDBKTRXMGNBRQD-UHFFFAOYSA-N 317.360 3.939 0 40 DHAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccno1 10253964 NOQLLMPYIPLINN-UHFFFAOYSA-N 305.293 3.735 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3ccccc3Cl)cnc21 12861442 AYMHZGFZJVDQDL-UHFFFAOYSA-N 314.776 3.918 0 40 DHAB Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)O)c1ccccc1 13250339 ZFSPWHPXARNZOZ-CYBMUJFWSA-N 317.772 3.845 0 40 DHAB COc1ccc(-c2nn(CN3CCCC[C@H]3C)c(=S)o2)cc1 13942975 HSMZZLMLBKCAII-GFCCVEGCSA-N 319.430 3.713 0 40 DHAB Cc1c(N)cccc1C(=O)Nc1ccccc1Br 19255506 CZIFQVCRLJIHGD-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 20107539 ASFVCUKBYVTRGG-GFCCVEGCSA-N 321.779 3.905 0 40 DHAB CCc1ccc([C@H](CNC(=O)c2sccc2C)N(C)C)cc1 22683930 ONOFMJAWCGZEMH-INIZCTEOSA-N 316.470 3.652 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCOc2ccccc21 23646518 XFPWHUQXEQBQQQ-CQSZACIVSA-N 317.772 3.602 0 40 DHAB Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCCC1 28999607 XRUAZPNSDKCZSF-UHFFFAOYSA-N 300.324 3.861 0 40 DHAB Cc1ccccc1CCNC(=O)c1cc(Cl)c(Cl)n1C 30672807 IAMWOTNFSYZTCX-UHFFFAOYSA-N 311.212 3.613 0 40 DHAB CCC(C)(C)NC(=O)Cc1csc(Cc2ccccc2)n1 32967736 DHPGFDDJODIKHV-UHFFFAOYSA-N 302.443 3.581 0 40 DHAB CCc1nc(OCC(=O)Nc2ccc(C)cc2)c2ccccc2n1 33141679 QGIVDRSBLGZMCS-UHFFFAOYSA-N 321.380 3.518 0 40 DHAB CC(C)(C)C(=O)Nc1cc(O[C@@H]2CCCCO2)c(F)cc1F 36452011 QUNMJYUCYGORCM-CQSZACIVSA-N 313.344 3.855 0 40 DHAB in-vitro CN(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 49929630 UQIKMDSYNXITJU-UHFFFAOYSA-N 307.752 3.517 0 40 DHAB CCCNC(=O)/C(=C/c1ccsc1)c1nc2ccccc2[nH]1 50575764 SFXZAIDBSPDRHA-JLHYYAGUSA-N 311.410 3.691 0 40 DHAB CC[C@H]1c2ccsc2CCN1C(=O)c1n[nH]c2ccccc12 52567500 SZUCVMUBPQCUAU-AWEZNQCLSA-N 311.410 3.774 0 40 DHAB COC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2N)cc1 57984386 BZLFNKNBQVINMU-UHFFFAOYSA-N 310.275 3.818 0 40 DHAB Cc1ncc(C(=O)N2CC[C@@H](C)Sc3ccccc32)s1 58366141 LMMZJDVHQDMBTA-SNVBAGLBSA-N 304.440 3.983 0 40 DHAB O[C@H](Cn1cnc2ccccc21)c1ccc(Br)cc1 62702426 NNDIRWULOGEOCL-OAHLLOKOSA-N 317.186 3.532 0 40 DHAB C[C@H](c1nccs1)N(C)C(=O)CCc1c[nH]c2ccccc12 67881110 ZDXFFOBRVZAAFP-GFCCVEGCSA-N 313.426 3.777 0 40 DHAB COCCN(Cc1ccccn1)C(=O)c1cccc2ccccc12 69528891 PMFAXEBRFUZBES-UHFFFAOYSA-N 320.392 3.524 0 40 DHAB Cc1ccc(OCC(=O)NCc2ccc3ccccc3c2)cc1 71865212 GDTPULJKFBKIFL-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB Cc1nc(C)c(C(=O)Nc2nc(-c3cccnc3)cs2)s1 72402842 CWBLPKUWEZRXCT-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB CN1CCN(Cc2cc(-c3ccccc3)no2)c2ccccc21 83881738 CHLLDQJHFGOTKV-UHFFFAOYSA-N 305.381 3.798 0 40 DHAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3ccn(C)n3)c2c1 84072407 SZQIDOCERKBUHM-UHFFFAOYSA-N 320.396 3.715 0 40 DHAB O=C(Nc1cccc(N2CCCCC2)c1)N1CCCSCC1 84374317 MVPCCOJKFMYUPE-UHFFFAOYSA-N 319.474 3.648 0 40 DHAB F[C@]1(Cl)Oc2ccc(Br)cc2O[C@]1(F)Cl 91252151 DEVDQAXVEGUCIT-YUMQZZPRSA-N 319.916 3.945 0 40 DHAB CC(C)c1ccsc1C(=O)N1CCC[C@H](N2CCCC2)CC1 95399300 LEHMHDNJPDBTMG-HNNXBMFYSA-N 320.502 3.962 0 40 DHAB c1ccc(-c2nc(CNc3cccc(-c4nc[nH]n4)c3)co2)cc1 95437435 YYEPAXSJJDLRBB-UHFFFAOYSA-N 317.352 3.739 0 40 DHAB COc1ccc(C)cc1CSCc1nnsc1Cl 95964195 FUVWCYABZMXAFW-UHFFFAOYSA-N 300.836 3.942 0 40 DHAB CCCNc1ccccc1NC(=O)Cc1csc(CC)n1 96011766 PHFVLVKVVBHBEQ-UHFFFAOYSA-N 303.431 3.709 0 40 DHAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)n2ccnc2)o1 96417134 TXVMRJFHZNSKOD-ZBFHGGJFSA-N 315.417 3.743 0 40 DHAB COc1ccccc1[C@H](C)Nc1ccc(CN2CCCC2=O)cc1 97037289 AHWKFFONHYXLNO-HNNXBMFYSA-N 324.424 3.991 0 40 DHAB OCC1CCN(c2ccc(Cl)cc2NCc2ccco2)CC1 97048898 GSMURTVNROFDBZ-UHFFFAOYSA-N 320.820 3.754 0 40 DHAB C[Si](C)(C)c1c(CC(=O)O)ccc(-c2ccccc2)c1F 219793630 WDMGSYCUSALMAI-UHFFFAOYSA-N 302.421 3.665 0 40 DHAB COc1ccccc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 225097678 CZRXARVGBNAVBI-LJQANCHMSA-N 322.360 3.923 0 40 DHAB COc1ccccc1CCCNC(=S)Nc1cccc(F)c1 225550147 ILOMZXQMXWLSFK-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccccc1C 225759406 UCMNPEWZFVSWCL-HNNXBMFYSA-N 315.442 3.836 0 40 DHAB Cc1cccnc1NC(=S)NC1(c2ccco2)CCCC1 225872195 YGMSRWKUJVGWAF-UHFFFAOYSA-N 301.415 3.739 0 40 DHAB CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)CSC(C)(C)C)C1 252487551 YXAPHSUDXGTWLZ-FORMXFIPSA-N 305.553 3.576 0 40 DHAB O=C(NCc1cccnc1)Nc1cccc(C(F)F)c1Cl 390834361 XBULBNBZIVURQZ-UHFFFAOYSA-N 311.719 3.994 0 40 DHAB O=C1CC[C@@]2(CCCN(CC3CC3)CC2)N1CC1CCCCC1 585100637 RGPNIFXAGBNJIL-HXUWFJFHSA-N 318.505 3.824 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N1CCc2ccccc21 89034 OHOWXBULDWXYPI-UHFFFAOYSA-N 301.773 3.617 0 40 DHAB Cc1ccc2nc(NC(=O)c3ccccc3C(=O)O)sc2c1 119731 ATEDNEHOSTWLKR-UHFFFAOYSA-N 312.350 3.555 0 40 DHAB O=C(Nc1cc(Br)cnc1Cl)c1ccccc1 166783 WBQBLWRKXJVLGP-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB COc1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1 264477 OCTKFLYJXZSLIG-UHFFFAOYSA-N 318.376 3.984 0 40 DHAB aggregator O=C1C[C@@H](c2cccc(Cl)c2)c2cc3c(cc2N1)OCCO3 816164 ARERPZRORZFENR-LBPRGKRZSA-N 315.756 3.585 0 40 DHAB CC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 1509443 BKPLWSSOYAGQPR-UHFFFAOYSA-N 322.389 4.000 0 40 DHAB Cc1ccccc1N1CCN(C(=S)Cc2ccccc2)CC1 1730970 YLASMUCUECNNBG-UHFFFAOYSA-N 310.466 3.687 0 40 DHAB CCCCSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1 1854051 SCKUONJZULSJKM-ZDUSSCGKSA-N 316.430 3.686 0 40 DHAB COC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C 2887394 UGGVQUHIBMOFDZ-UHFFFAOYSA-N 317.345 3.669 0 40 DHAB Cc1cc2nnc(S[C@H]3CCCCC3=O)n2c2ccccc12 3292552 FFQJQYKBFNVRDF-HNNXBMFYSA-N 311.410 3.795 0 40 DHAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Cl)nc1 3384175 BVVILRDXIMRVNZ-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)CCOc1cccc(C)c1 3417637 KYQVKIWVDRQVOC-OAHLLOKOSA-N 313.397 3.650 0 40 DHAB O=C(O)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1 4688509 FPSBQEWGWKSUDI-UHFFFAOYSA-N 312.350 3.958 0 40 DHAB Cc1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2ccccc12 5534262 LDIYOBWFOYESOZ-UHFFFAOYSA-N 304.271 3.713 0 40 DHAB O=c1c2ccsc2ncn1Cc1cccc(C(F)(F)F)c1 5671063 MZDOYVWFOCNTDQ-UHFFFAOYSA-N 310.300 3.525 0 40 DHAB Cc1ccc(C)c(OCCC(=O)NCc2ccccc2F)c1 6260809 YVEPFIAWAXZHBR-UHFFFAOYSA-N 301.361 3.528 0 40 DHAB O=C(CSCc1ccccc1Cl)NCc1ccccc1 7094199 LAOYKMTWQBUUDF-UHFFFAOYSA-N 305.830 3.890 0 40 DHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 8498289 XBWZNEDQQYNXFP-QGZVFWFLSA-N 317.816 3.856 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@H](O)CNCc2ccccc2)c1 9970622 OETPTNXLMHOFES-GOSISDBHSA-N 313.441 3.648 0 40 DHAB CCCCC(=O)N[C@@H](C)c1nc(-c2ccccc2Cl)no1 13494858 FCCHCQMTYPQLII-JTQLQIEISA-N 307.781 3.757 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1ccc(N)cc1 13578893 HCDLLEKERCBFKF-QWHCGFSZSA-N 312.438 3.727 0 40 DHAB Fc1ccc(CN2CCN(c3ccccc3)CC2)c(Cl)c1 14195030 QINQHNJOZRWVHB-UHFFFAOYSA-N 304.796 3.801 0 40 DHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3)c12 14899985 NMEGMZNOURFNAF-UHFFFAOYSA-N 324.359 3.546 0 40 DHAB CCC[C@@H](C(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 21137874 OKLPWEGBWQRHDZ-GOSISDBHSA-N 324.424 3.911 0 40 DHAB Cn1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)cn1 25306817 CCASAWHUCFAZCT-UHFFFAOYSA-N 309.753 3.680 0 40 DHAB CCC(=O)Nc1ccc(C(=O)CSc2nc(C)cs2)cc1 28864733 OUSLUENAKXWRAU-UHFFFAOYSA-N 320.439 3.775 0 40 DHAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CCCO1 30392160 ACFAHZKDFXRSQW-KRWDZBQOSA-N 315.344 3.522 0 40 DHAB O=C(Cc1ccccc1)NCCOc1ccc2ccccc2c1 30447203 QHHUVEDNPSZGQE-UHFFFAOYSA-N 305.377 3.578 0 40 DHAB O=C(O)C[C@@H]1CCc2c1[nH]c1c(Br)cc(F)cc21 35259138 UFDLKQSJWWUVOQ-LURJTMIESA-N 312.138 3.574 0 40 DHAB Fc1ccccc1CN(CCCn1ccnc1)Cc1ccco1 36740351 ZZFLBKXRWQGZPD-UHFFFAOYSA-N 313.376 3.708 0 40 DHAB Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 40158612 HSCZLEZTUNQHHO-FQEVSTJZSA-N 322.452 3.523 0 40 DHAB O=C(c1ccc(OCCN2CCCC2)cc1)C1CCCCC1 41514208 VFAVVBRGVHYMBB-UHFFFAOYSA-N 301.430 3.924 0 40 DHAB C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCCCCCC1 45607004 NOHONMAAACHCCU-OAHLLOKOSA-N 304.434 3.689 0 40 DHAB Fc1ccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1F 49169045 KKEGEKFLGAEIIM-ZDUSSCGKSA-N 313.351 3.831 0 40 DHAB biogenic,in-vitro COc1ccc(CN2CC[C@H](c3nc4ccccc4n3C)C2)cc1 49171147 DCPXDOPAQPISCF-INIZCTEOSA-N 321.424 3.571 0 40 DHAB biogenic,in-vitro CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc2nccnc12 49546311 ZVJXLJPLPJETQH-GFCCVEGCSA-N 321.384 3.705 0 40 DHAB COc1ccccc1CC(=O)N1CCCCC[C@H]1c1ccncc1 49765749 CESFZNSLSSIUQM-SFHVURJKSA-N 324.424 3.777 0 40 DHAB C[C@H]1c2ccsc2CCN1C(=O)NOCc1ccccc1 50096821 NFDCENJDFNCUKY-LBPRGKRZSA-N 302.399 3.509 0 40 DHAB CCc1cccc(C)c1NC(=O)Cn1cc(C=O)c2ccccc21 51318951 YGCDOQIVKMVARD-UHFFFAOYSA-N 320.392 3.963 0 40 DHAB CC(C)c1nc(CC(=O)N2CCC[C@@H]2c2ccccn2)cs1 55523610 SYEFGMXHYRTMHJ-OAHLLOKOSA-N 315.442 3.568 0 40 DHAB Cc1cc(N[C@H](C)c2cccc3ccccc23)n2ncnc2n1 60551517 YBCDZTQANKKANH-CYBMUJFWSA-N 303.369 3.759 0 40 DHAB C[C@H](SC[C@@H](O)c1ccccc1)c1nc(C(C)(C)C)no1 69290623 QSQICFOPRXNGHQ-WCQYABFASA-N 306.431 3.895 0 40 DHAB Cc1ccccc1-c1noc(C[S@](=O)CC2CCCCC2)n1 69973086 MFNOFHPQNFAWLQ-QFIPXVFZSA-N 318.442 3.874 0 40 DHAB C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1 70039771 RYMCZISXOCMZSW-CQSZACIVSA-N 315.438 3.773 0 40 DHAB Cc1cccc(NC(=O)Cc2cccc(Br)c2)c1 72064073 XYCCZOJZKBSANR-UHFFFAOYSA-N 304.187 3.939 0 40 DHAB O[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1 72225810 CNMOQBGZKUWOST-FQEVSTJZSA-N 302.377 3.858 0 40 DHAB CC[C@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccncc1 73900653 BOIAEJCKSFDMFB-WBMJQRKESA-N 301.390 3.803 0 40 DHAB O=C(CCc1ccccn1)N1CC[C@@H]1c1ccc(Cl)cc1 78878645 QEMQVGRILCXUSV-MRXNPFEDSA-N 300.789 3.641 0 40 DHAB CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)CCc1ccco1 89336792 CFWSTGFMQHYFNT-IRXDYDNUSA-N 307.434 3.702 0 40 DHAB CC(C)C[C@H](NC(=O)c1cnc(Cl)cn1)c1ccccc1 89821042 LAUBONFFWCEHRS-ZDUSSCGKSA-N 303.793 3.647 0 40 DHAB COc1cc([C@H](C)NCCc2ccccn2)ccc1SC 95419160 KYZMWKNRHOYHAG-ZDUSSCGKSA-N 302.443 3.705 0 40 DHAB Cc1cccnc1CN[C@@H](C)c1ccc(F)cc1OC(F)F 95967778 FVVMMPKAWVUGMG-NSHDSACASA-N 310.319 3.981 0 40 DHAB COc1cccc2cc([C@@H](C)NC[C@@](C)(O)c3ccco3)oc12 95987953 YJFMIKGXJIVNPK-KZULUSFZSA-N 315.369 3.593 0 40 DHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2c(C)noc2C)o1 96433150 BSURQAHRYSNBPC-ZBEGNZNMSA-N 316.401 3.735 0 40 DHAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 101275340 ZBZQXIYMYAOFMR-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB CCOC(=O)Cc1csc(Nc2c(C)cc(C)cc2C)n1 133816604 HFBSNBGCHVEGMJ-UHFFFAOYSA-N 304.415 3.918 0 40 DHAB CCOc1cccc(CNC(=O)CCc2ccc(C)c(C)c2)c1 223136254 UBKGGVKUFZGOQG-UHFFFAOYSA-N 311.425 3.951 0 40 DHAB O=C(COc1cccc2c1CCCC2)N1CCCc2ccccc21 225106270 KMWKRSVYFCWBPM-UHFFFAOYSA-N 321.420 3.924 0 40 DHAB COc1ccccc1Nc1ccc(C(=O)OC(C)C)cc1N 225429673 WYNCWUVOXMAUIO-UHFFFAOYSA-N 300.358 3.586 0 40 DHAB CCCOc1ncc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225889905 RUEPZLZRILQSHT-ACJLOTCBSA-N 320.433 3.713 0 40 DHAB CCOC(=O)c1ccc(-c2nnc(-c3ccccc3OC)o2)cc1 33766 KCRKGMUUYUKVMS-UHFFFAOYSA-N 324.336 3.589 0 40 DHAB COc1ccc(OCC(=O)Oc2ccc(Cl)cc2C)cc1 122552 WMSPXLILGQIJRF-UHFFFAOYSA-N 306.745 3.641 0 40 DHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccs1 253058 QXAWIKOPTGQDGT-UHFFFAOYSA-N 315.350 3.923 0 40 DHAB Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccncc1 527142 YHMYFXDQVOSBIQ-UHFFFAOYSA-N 316.817 3.823 0 40 DHAB Cc1ccccc1[C@@](O)(Cc1ccccc1)[C@H]1CN2CCC1CC2 1259761 FPDWKSDUHWWBCL-VXKWHMMOSA-N 321.464 3.767 0 40 DHAB CCOc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1 2024970 XJKWKOISBKGQHT-SFQUDFHCSA-N 307.349 3.738 0 40 DHAB O=C1NC(c2ccco2)=N/C1=C\c1ccc(Cl)cc1Cl 5002652 WMSGBXLVIUMRHR-WDZFZDKYSA-N 307.136 3.504 0 40 DHAB Cc1cccc(-c2nc(-c3cc4ccccc4[nH]c3=O)no2)c1 5177978 GAFBLXUBWUOVFM-UHFFFAOYSA-N 303.321 3.554 0 40 DHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1F 5406381 DOCLBABIHWOQDU-UHFFFAOYSA-N 300.358 3.708 0 40 DHAB CCCOc1ccc(C(=O)NCc2ccccc2)cc1OCC 5557733 QUVYBUASEVPNEV-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB CNc1nc(SCc2c(C)noc2C)nc2ccccc12 7783549 DPAZIIKECANFLQ-UHFFFAOYSA-N 300.387 3.569 0 40 DHAB OCCSc1ncnc2cc(-c3ccc(F)cc3)sc12 8326058 DVYDWJANSALXPC-UHFFFAOYSA-N 306.387 3.582 0 40 DHAB Cc1cc(NC(=O)[C@H](Nc2ccccc2)c2ccccc2)no1 8704074 ZQMBLTXXZPDXQZ-QGZVFWFLSA-N 307.353 3.775 0 40 DHAB COc1ccc(C)cc1/C=C/C(=O)N1CCc2sccc2C1 10923753 OZOGROGECOLJDG-GQCTYLIASA-N 313.422 3.663 0 40 DHAB CCOc1ccccc1C(=O)NCCCn1ccc2ccccc21 12561852 PLEGGYDPPPIRBI-UHFFFAOYSA-N 322.408 3.860 0 40 DHAB Cn1ccc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 12800374 XYTBRPXEGVXCPF-LBPRGKRZSA-N 317.458 3.885 0 40 DHAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 12817669 HRSVFPLNFRQJRT-GOSISDBHSA-N 312.388 3.910 0 40 DHAB CC(=O)c1ccc(NC(=O)CCSc2nc(C)cs2)cc1 12858504 MUWDYZNSYHTERM-UHFFFAOYSA-N 320.439 3.775 0 40 DHAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2)c1 13676655 MVBGPYXURTYFES-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB CCOC(=O)Cc1c(-c2ccccc2)nc2ccc(Cl)cn12 13765481 QMUKSUNCSDAMMP-UHFFFAOYSA-N 314.772 3.760 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 13897180 ICSOSXBQUWNACL-WAYYCVMKSA-N 322.191 3.695 0 40 DHAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 13931561 IIXPBYRXQZGRNE-AWEZNQCLSA-N 314.410 3.853 0 40 DHAB CCc1ccc(Cn2nccc2NC(=O)c2ccccc2)cc1 14185324 RNMYZWDGOCJDAB-UHFFFAOYSA-N 305.381 3.746 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)Nc2cccnc2Cl)c(C)c1 15497128 CYRRNYBLOJUHHJ-GFCCVEGCSA-N 303.793 3.791 0 40 DHAB CCCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1 15669982 KCIZCYRMIVKSCR-UHFFFAOYSA-N 310.357 3.629 0 40 DHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 16091673 ZTNXYCFIAJDMAX-NXEZZACHSA-N 322.257 3.660 0 40 DHAB c1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 19371881 HKEFNOJIJDASMO-UHFFFAOYSA-N 320.396 3.511 0 40 DHAB CCc1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)on1 19522773 QNPXYBONLNWHNH-FPAYPSAMSA-N 324.424 3.939 0 40 DHAB Cc1cccc(N[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1C 20402724 UFGHBEBZFFVQJF-GFCCVEGCSA-N 303.431 3.816 0 40 DHAB Cc1cnc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cn1 21007022 MNYVEHOIXJELNA-UHFFFAOYSA-N 304.353 3.781 0 40 DHAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccccc1 21835784 DELKOEVEBHZOAH-OAHLLOKOSA-N 315.442 3.707 0 40 DHAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 21956730 FXUMVFKWQOPVTE-NJAFHUGGSA-N 323.392 3.698 0 40 DHAB in-vitro CC1(C)CC(Nc2ccc(C(F)(F)F)cn2)CC(C)(C)N1 23618115 KWAKGWGZYJZLJP-UHFFFAOYSA-N 301.356 3.822 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)cn2)C1(C)C 25665969 NIUADVHLGSHPRS-NVXWUHKLSA-N 313.445 3.859 0 40 DHAB Cc1cc(NC(=O)c2cc(F)ccc2F)n(C2CCCC2)n1 28305857 KWJVYXDBPLGXLA-UHFFFAOYSA-N 305.328 3.837 0 40 DHAB c1ccc(CCN2CCC[C@@H](c3nc4ccccc4o3)C2)nc1 29824804 OMWGKTVSDVNEQO-OAHLLOKOSA-N 307.397 3.645 0 40 DHAB Cc1ccc(NC(=O)NCc2cn3cc(Cl)ccc3n2)cc1 32796850 CBPFLUKIKUHYKJ-UHFFFAOYSA-N 314.776 3.618 0 40 DHAB COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)no2)cc1 32833171 YFDXKHNMFGFWQE-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc12 40069713 OTJAKWKPACYPGG-WCQYABFASA-N 301.390 3.655 0 40 DHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1 48044610 LSKPANNGZHDXJD-NXEZZACHSA-N 322.257 3.660 0 40 DHAB Cc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)s1 48292014 NCBPFUIUTWHFKR-UHFFFAOYSA-N 300.427 3.773 0 40 DHAB CC(=O)c1csc(NC(=O)[C@H](C)SCc2ccccc2)n1 48365894 USCANMWETZNVJP-NSHDSACASA-N 320.439 3.606 0 40 DHAB CC(C)(C)n1cc(C(=O)N2CCC[C@H]2c2cccs2)cn1 48366471 OVQUOHBCOYTAAF-ZDUSSCGKSA-N 303.431 3.677 0 40 DHAB O=C(NCCc1c[nH]c2cc(F)ccc12)c1c(F)cccc1F 50766308 RHFFNEMWFVZZQY-UHFFFAOYSA-N 318.298 3.558 0 40 DHAB O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccco1 54667413 NSLBGOOXBKSLQC-UHFFFAOYSA-N 307.353 3.732 0 40 DHAB C[C@@H]1CCCN(C(=O)CNc2ccc3c4c(cccc24)CC3)C1 58380444 PHYKVXJRWSUVHH-CQSZACIVSA-N 308.425 3.609 0 40 DHAB O=C(NC1(c2ccc(F)cc2)CCC1)c1cnc2ccccc2n1 63338368 SGZNDKSAMGOQHN-UHFFFAOYSA-N 321.355 3.578 0 40 DHAB COc1ccc(-c2nnc(CSc3ccc(O)cc3)o2)cc1 65607860 ZQUJCNJIVVCVHY-UHFFFAOYSA-N 314.366 3.743 0 40 DHAB COc1ccc(OC)c(NC(=S)Nc2ccc(C)cc2F)c1 71326057 YIAQKNJUODAOSA-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB CCN(Cc1cccc(C)c1)Cn1ncn(C(C)C)c1=S 71966514 KZXKXHPMDUSQLN-UHFFFAOYSA-N 304.463 3.783 0 40 DHAB CC(C)(C)CC(C)(C)NC[C@@H](O)COCc1ccccc1F 72591380 YWEVASVQZLDEKD-OAHLLOKOSA-N 311.441 3.508 0 40 DHAB C[C@@H](c1ccccn1)N(C(=O)c1ncoc1-c1ccco1)C1CC1 74502142 QQMFENXWOMHLLN-LBPRGKRZSA-N 323.352 3.695 0 40 DHAB O=C(Nc1cnn(-c2ccccc2)c1)N1C[C@H]2CCCC[C@@H]2C1 78613565 WZQFDOXGSXSYRN-HUUCEWRRSA-N 310.401 3.526 0 40 DHAB Cc1noc(CCCN(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 78971002 WHNBNJYPCKYWTM-LRDDRELGSA-N 315.417 3.692 0 40 DHAB CC(C)c1nc(CCNC(=O)CCc2ccsc2)cs1 78979536 JJRJRNSELRYNBM-UHFFFAOYSA-N 308.472 3.620 0 40 DHAB CN(c1nc(COC(=O)CCC2CCCC2)cs1)C1CC1 83869829 CCXUDHZHUOKVKY-UHFFFAOYSA-N 308.447 3.755 0 40 DHAB CC(C)c1ccc(/C=C/CC(=O)NC[C@@H](C)N(C)C2CC2)cc1 95450366 BSSZSEVSHWQANN-SQRWCISFSA-N 314.473 3.812 0 40 DHAB C[C@@H]1CCC[C@H](C(=O)N2CC[C@H](n3ncc4ccccc43)C2)C1 95469097 PNVNXGUXURAUPR-VYDXJSESSA-N 311.429 3.636 0 40 DHAB C[C@H]1OCC[C@H]1SCCOc1ccccc1Br 95982657 HBFXBCXHXUIOFG-ZWNOBZJWSA-N 317.248 3.739 0 40 DHAB CCc1nnc(CN[C@H](C)c2cc3cc(Cl)ccc3o2)o1 97112286 DSZMXKVTPDPTPR-SECBINFHSA-N 305.765 3.882 0 40 DHAB Cc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(Cc2ccccc2)C(=O)N1 101085257 JXRHYNULHVDFOW-APWZRJJASA-N 308.381 3.760 0 40 DHAB CSc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccco1)N2 101416059 BMRJIXBSXCECMN-ZDUSSCGKSA-N 310.382 3.649 0 40 DHAB C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)c1ccccc1F 108956623 CHMAKWBMHQGFDP-SNVBAGLBSA-N 304.390 3.903 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1 113969350 KDUSQEYECYAUFS-CYBMUJFWSA-N 303.789 3.905 0 40 DHAB Fc1c(Cl)cccc1CNc1nnc(-c2ccncc2)o1 154761696 QUCIMVWGGYVGHJ-UHFFFAOYSA-N 304.712 3.536 0 40 DHAB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)c2ccccc21 409113847 JDLKQCWTDCULKR-VBKFSLOCSA-N 309.365 3.611 0 40 DHAB c1cncc([C@@H]2CCN(Cc3ncc(-c4cccs4)o3)C2)c1 518764903 BFMHQQVDVBXHFA-CQSZACIVSA-N 311.410 3.788 0 40 DHAB CC(C)(C)CC(=O)N1CCC(c2ccc3cccnc3n2)CC1 655265606 CGVSAYCCKAGDDJ-UHFFFAOYSA-N 311.429 3.772 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCCN(C2CCC2)CC1 828146869 ILWHBWPOYONLGH-UHFFFAOYSA-N 314.454 3.602 0 40 DHAB Cc1cccc(CC(=O)NCC(c2ccco2)c2ccco2)c1 952965115 SYIZKSJEFINKRK-UHFFFAOYSA-N 309.365 3.672 0 40 DHAB O=C(Nc1ccc2c3c(cccc13)C(=O)N2)c1ccc(F)cc1 127476 VZIAQKSSIVYENM-UHFFFAOYSA-N 306.296 3.797 0 40 DHAB CC(C)=CCCC1=CC[C@H]2C(=O)NN(c3ccccc3)C(=O)[C@H]2C1 485819 XMGHGZFUAASIJW-MSOLQXFVSA-N 324.424 3.763 0 40 DHAB biogenic Cc1ccc(CSc2nnc(C3CCCCC3)n2N)cc1 531332 KQFITSIISWEHOY-UHFFFAOYSA-N 302.447 3.640 0 40 DHAB O=S(=O)(c1ccccc1)N1CCC[C@@H](c2ccccc2)CC1 1620263 IAPWLQBJTHMUJZ-QGZVFWFLSA-N 315.438 3.645 0 40 DHAB O=C(/C=C/c1ccc(Br)cc1)NC1CCCCC1 2736452 AXTSSRXMGOEHJK-DHZHZOJOSA-N 308.219 3.911 0 40 DHAB Cc1cc(N)n(-c2nc(C)nc3sc(-c4ccccc4)cc23)n1 3323232 QEXHCZZJAIHUBI-UHFFFAOYSA-N 321.409 3.743 0 40 DHAB C[C@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1 3908294 JHOIIHREEAXVBM-LBPRGKRZSA-N 308.337 3.538 0 40 DHAB Cc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1 4163688 MXXXOGGKAPVPJP-UHFFFAOYSA-N 306.365 3.915 0 40 DHAB O=C(Nc1nonc1-c1ccc(Cl)cc1)c1ccc(F)cc1 5389282 AJSOCZOKWWRTRH-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB CC(C)CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 6023142 YBBUYTVMLHZLLM-UHFFFAOYSA-N 310.397 3.601 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc2ncccc12 6226624 YPRKNIUQELBCSZ-VQHVLOKHSA-N 318.332 3.615 0 40 DHAB [O-][n+]1c2c(n(O)c1-c1cccc(O)c1)-c1cccc3cccc-2c13 6226643 HIFKYUCWWAQZII-UHFFFAOYSA-N 316.316 3.532 0 40 DHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1C 6355903 XPSYBIYXGAGNCI-IXDOHACOSA-N 305.462 3.814 0 40 DHAB CC(=O)Nc1nc(C(=O)c2ccccc2)c(-c2ccccc2)s1 6614669 JRAHAVFIMALDGV-UHFFFAOYSA-N 322.389 4.000 0 40 DHAB Cc1ccc(C)c(OC[C@@H](O)CNC2CCC(C)CC2)c1C 7058910 GZLIWOLYPLEXFD-SYGMWZTRSA-N 305.462 3.520 0 40 DHAB COc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1Cl 8114389 IHLXDIRRVJDMMO-LBPRGKRZSA-N 317.772 3.538 0 40 DHAB Cc1ccc2nc(COC(=O)c3ccc4ncsc4c3)cn2c1 8129992 XNRWREUOBBELIQ-UHFFFAOYSA-N 323.377 3.609 0 40 DHAB COc1cc2ncnc(N[C@H](C)c3cccs3)c2cc1OC 9478017 RNDLNYZHSNTSOK-SNVBAGLBSA-N 315.398 3.882 0 40 DHAB CC[C@H](C)NC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)CC)c1 10036560 BVJQSIPGIHWZLD-STQMWFEESA-N 320.437 3.835 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCc3sccc3C2)c1 10341956 BCHTWCMAYKSZMZ-AWEZNQCLSA-N 314.454 3.750 0 40 DHAB O=C(Nc1ccncc1)c1ccc(C(=O)c2ccccc2)cc1 12623036 HALHMUNBCJYIRQ-UHFFFAOYSA-N 302.333 3.565 0 40 DHAB CC(C)n1ncc2cc(C(=O)Oc3ccc4c(c3)CCC4)cnc21 12781743 GWMNWRFJEJAYDB-UHFFFAOYSA-N 321.380 3.720 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)[C@H](C)Oc3ccccc3)c2c1 12857889 ZNPMOAPIGKZUAD-HNNXBMFYSA-N 322.408 3.603 0 40 DHAB OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F 12942242 KLPMNEJGWLZZOC-UHFFFAOYSA-N 309.209 3.633 0 40 DHAB CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@@H](CN2CCCCC2)O1 13656096 IUQYLYYXKZJRJM-TZNCUMHOSA-N 307.478 3.676 0 40 DHAB Cc1nc2ccc(C(=O)N3CC[C@@H](C4CCCCC4)C3)cc2[nH]1 13996340 DLOYAYMYICANOO-MRXNPFEDSA-N 311.429 3.914 0 40 DHAB CSc1ncccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 14245610 LYMFDKQGHGCBEN-MGPQQGTHSA-N 304.459 3.892 0 40 DHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1F 14796238 CXLVGHFEPLNGNI-LBPRGKRZSA-N 314.360 3.606 0 40 DHAB Cc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)nc1 15941064 QGGAZFQZUOMBKV-UHFFFAOYSA-N 308.337 3.814 0 40 DHAB CCc1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)cc1 15967157 ARGLWOOAHRRULE-CQSZACIVSA-N 313.397 3.514 0 40 DHAB CCC(=O)Nc1ccc(C(=O)N(CC)Cc2ccccc2)cc1 17032122 YXKBTJLNZAVTDQ-UHFFFAOYSA-N 310.397 3.697 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc1 17908521 OZSHJGHIOWBUOI-LLVKDONJSA-N 316.788 3.789 0 40 DHAB C[C@H](NC(=O)COc1ccccc1)c1ccc2c(c1)CCCC2 18212545 WURXFKVBHCHIBA-HNNXBMFYSA-N 309.409 3.822 0 40 DHAB CC(=O)c1csc(NC(=O)Cc2coc3cc(C)ccc23)n1 18232995 PFJLPUXIXOFVTF-UHFFFAOYSA-N 314.366 3.582 0 40 DHAB CCc1cc(C(=O)NC[C@H](C)Oc2ccc(OC)cc2)cs1 19522131 FJPZFHFWEPJWPQ-LBPRGKRZSA-N 319.426 3.516 0 40 DHAB O=C(Nc1nccs1)c1csc(Nc2ccccc2)n1 23136799 QFRXTPDWBNTXMY-UHFFFAOYSA-N 302.384 3.596 0 40 DHAB CN(C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2o1 24982616 MMJBJGYLVUEVJB-UHFFFAOYSA-N 316.744 3.523 0 40 DHAB Cc1cc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)no1 25065460 AWJLFOPKPKPUGU-UHFFFAOYSA-N 322.368 3.786 0 40 DHAB CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)sc1C 25875279 ONVIDNHCDAFBTF-UHFFFAOYSA-N 313.419 3.719 0 40 DHAB CC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C 27525276 ITZHACOOFVPHIO-UHFFFAOYSA-N 309.778 3.952 0 40 DHAB COc1ccc(C(=O)N[C@H](C)COc2ccc(Cl)cc2)cc1 28293121 YSSRVFZFRZEBNZ-GFCCVEGCSA-N 319.788 3.546 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)NCc3cccnc3)ccc2c1 32716576 WHUPTQMTRMWKIP-CQSZACIVSA-N 320.392 3.663 0 40 DHAB CN(Cc1ccccc1N1CCCCC1)C(=O)Nc1cccnc1 32841232 BYNXAPAAOHVISO-UHFFFAOYSA-N 324.428 3.736 0 40 DHAB O=C(/C=C/c1cccc2cccnc12)NCCc1cccs1 32891671 KHVGHUIPVIRCFC-CMDGGOBGSA-N 308.406 3.668 0 40 DHAB CC(C)COCCCNC(=O)Cc1c(Cl)cccc1Cl 39984338 AMOREUJTXQMQST-UHFFFAOYSA-N 318.244 3.715 0 40 DHAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(S)ccc21 40227610 KBUIXUYCBAXVFJ-UHFFFAOYSA-N 314.801 3.924 0 40 DHAB Cn1ccnc1CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 40536372 OGOHOAYKVOIHLZ-UHFFFAOYSA-N 324.211 3.532 0 40 DHAB Cc1csc(NC(=O)NCc2ccc(OC(C)C)cc2)n1 43242363 VPROHBZCFNNYNO-UHFFFAOYSA-N 305.403 3.560 0 40 DHAB CCc1ccc(CNC(=O)N2CCC[C@@H]2c2cc(C)no2)s1 46945510 AFVJPNBYSFTLFU-CQSZACIVSA-N 319.430 3.654 0 40 DHAB O=C(NCc1ccoc1)Nc1cccc(OCc2cccnc2)c1 47088298 RXZCDEDOUHNXQH-UHFFFAOYSA-N 323.352 3.575 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2cnn(-c3ccccc3)n2)o1 58133756 HCKAXWOAKPHTDS-KBXCAEBGSA-N 322.412 3.616 0 40 DHAB Cc1sc(-n2cccc2)c(C(=O)OC[C@@H]2CCCCO2)c1C 60748694 AWTORUJJQJZXAA-AWEZNQCLSA-N 319.426 3.882 0 40 DHAB O=C(Nc1cccs1)N(Cc1ccccn1)Cc1ccco1 62018126 KLXBWADHQNDZOO-UHFFFAOYSA-N 313.382 3.970 0 40 DHAB CCc1ncc(C(=O)N2CCCCC[C@H]2c2ccncc2)s1 71830952 DKLUEUOBJYEEQZ-AWEZNQCLSA-N 315.442 3.858 0 40 DHAB C[C@@H]1C[C@H]1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889983 ZCJIXCQYTIIGJN-BXUZGUMPSA-N 318.804 3.943 0 40 DHAB COc1ccc(NCc2cc3sccc3n2C)cc1OC 72341656 OTSTZNPHCGYOLH-UHFFFAOYSA-N 302.399 3.869 0 40 DHAB Cc1cnc(Nc2nccnc2C2CCN(C(C)C)CC2)s1 72365550 OOXLWHIRTQMZFU-UHFFFAOYSA-N 317.462 3.573 0 40 DHAB Cc1csc(CN[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 80338737 YJRWCBAWJJASPI-WBVHZDCISA-N 315.486 3.594 0 40 DHAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 95412632 MQXVMZBNXYKAIB-HUUCEWRRSA-N 319.788 3.661 0 40 DHAB Cc1ncc(CNc2cccc(-c3nc(C4CC4)n[nH]3)c2)s1 95440177 IITNDAYENLXCGT-UHFFFAOYSA-N 311.414 3.726 0 40 DHAB Cc1ccc(C)c(N(C)C(=O)c2cnn(Cc3ccccc3)c2)c1 95954350 QXIRGQBKUZGZLX-UHFFFAOYSA-N 319.408 3.825 0 40 DHAB COc1ccc(NC(=O)N[C@@H](c2nccs2)C2CC2)cc1C 96434229 RXKOCHOPQLFJLH-CQSZACIVSA-N 317.414 3.733 0 40 DHAB Cc1cc(C)nc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 96453445 UTEGEWFZYUEYIZ-AWEZNQCLSA-N 308.385 3.619 0 40 DHAB C[C@@H](NCC1(O)CCSCC1)c1ccc(-c2ccccc2)o1 97017004 HTWPGQWWNUWNOE-CQSZACIVSA-N 317.454 3.855 0 40 DHAB CCc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)cc1 101275746 IDSMOZGKNDYSOV-GOSISDBHSA-N 322.408 3.610 0 40 DHAB Cc1ccc(C)c(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 102179671 UFUZRXUTDKLBTE-JYJNAYRXSA-N 315.413 3.611 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N(C)c2ccc(F)cc2)c(C)c1 222975221 BLBNGCLQNYGJSN-UHFFFAOYSA-N 307.390 3.576 0 40 DHAB COc1cccc(NC(=O)COc2cccc3c2CCCC3)c1 224946479 LIJOENYRWZYULQ-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB CN(Cc1ccccc1F)C(=O)c1conc1-c1ccccc1 225869364 RPNZXGVXZJCZRA-UHFFFAOYSA-N 310.328 3.753 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)cn1 225903530 JUQBXDWJPLRPNW-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB O=C(Sc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1 408526133 ABMOLYLPFDPJHA-UHFFFAOYSA-N 306.730 3.916 0 40 DHAB Cc1ccccc1OCC(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008673 LTKSMBPKJABLOF-ROUUACIJSA-N 311.425 3.864 0 40 DHAB CCOC(=O)CCc1c[nH]c2cc(F)cc(Br)c12 1857793131 RSFOUQFZFLXVHX-UHFFFAOYSA-N 314.154 3.565 0 40 DHAB Cc1cccc2sc(NC(=O)Cc3ccccc3F)nc12 363552 BVVJXFJWGDLGJC-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB CN(C)[C@@H]1CCC[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 1301877 KWBLUDBBNZTNOA-RTBURBONSA-N 323.436 3.844 0 40 DHAB COc1ccc(Oc2nc(SC)nc3c2CCCC3)cc1 1386882 XFUQMMQISFRYLC-UHFFFAOYSA-N 302.399 3.878 0 40 DHAB CC(=O)NCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 1702057 IFTRQYOOPLGXJV-UHFFFAOYSA-N 317.216 3.628 0 40 DHAB CCCCO[P@](C)(=O)OC[C@H]1CCCN2CCCC[C@H]12 1816952 MHYQTYYTGDIMIE-SXGZJXTBSA-N 303.383 3.907 0 40 DHAB biogenic CCOC(=O)[C@H]1CC[C@](C)(C(=O)Oc2ccccc2)C1(C)C 3845992 XCRWGOGPEPOQEN-RDTXWAMCSA-N 304.386 3.598 0 40 DHAB biogenic O=C1c2ccccc2[C@@H]2c3cc(Cl)cc(Cl)c3OCN12 4110060 YYZAFCCJZYEKGT-CYBMUJFWSA-N 306.148 3.889 0 40 DHAB Cc1ccc(CN2C(=O)S/C(=C/c3ccncc3)C2=O)cc1 4675457 PYYQLYVHIIASQZ-XNTDXEJSSA-N 310.378 3.627 0 40 DHAB NCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 5054858 XAWQIYQGLMTKGY-UHFFFAOYSA-N 324.327 3.793 0 40 DHAB Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 5392712 COBYFWXFIUATQU-UHFFFAOYSA-N 315.316 3.815 0 40 DHAB Cc1cccc(Oc2ccc(NC(=O)c3cnccn3)cc2)c1 5632359 YOEIUZGFSOBDGI-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CCc1ccc(NC(=O)[C@@H]2CC(c3ccccc3F)=NO2)cc1 6738408 XMTDABXCTFFJRY-KRWDZBQOSA-N 312.344 3.520 0 40 DHAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2ccco2)CC3=O)cc1 6760796 UZELTOJWAYWVOZ-AWEZNQCLSA-N 306.365 3.995 0 40 DHAB COc1cccc(CN(C)C(=O)c2ccccc2Cl)c1OC 6940364 MHCHCNKCQUHVMA-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB CCOc1ccccc1C(=O)Oc1cccc(NC(=O)CC)c1 8723027 VIIWFZRDCVGJRE-UHFFFAOYSA-N 313.353 3.653 0 40 DHAB COc1cc(/C=C/C(=O)Nc2c(C)cccc2C)cc(OC)c1 8756244 SZQGMIZMKKHWMY-CMDGGOBGSA-N 311.381 3.973 0 40 DHAB Cc1ccc(-n2ncc3c(Nc4ccccc4)ncnc32)cc1 9046522 JXZRDPRXHRKDLF-UHFFFAOYSA-N 301.353 3.868 0 40 DHAB COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 12757562 YSEHOBAVWWKVEO-UHFFFAOYSA-N 302.399 3.673 0 40 DHAB CCc1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)c1 12976831 HMTSJXCWMQZGRT-UHFFFAOYSA-N 311.381 3.592 0 40 DHAB Cc1ccccc1CN(C)Cn1c(=O)oc2cc(Cl)ccc21 12993603 KBBVJBZDZMGBAZ-UHFFFAOYSA-N 316.788 3.646 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 16644022 XETKLUJDUOFDBM-UHFFFAOYSA-N 319.364 3.688 0 40 DHAB CCC/[S@@](=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 17379563 CTBLQHQQPHGAEP-FQEVSTJZSA-N 321.467 3.955 0 40 DHAB COc1ccc(C)cc1CN(C)C(=O)Nc1ccc(F)cc1 17742331 MGEFEBFLGNWAGJ-UHFFFAOYSA-N 302.349 3.807 0 40 DHAB C[C@@H]1CCCN(Cc2ccc(C(=O)N(C)C3CCCC3)cc2)C1 20038905 GADMJEFQKGIUAB-MRXNPFEDSA-N 314.473 3.933 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)Nc3cccc(F)c3)c2c1 20081863 MZRVHXAKZBPUIX-UHFFFAOYSA-N 311.360 3.980 0 40 DHAB O=C(c1ccc(F)cc1Cl)N1CCO[C@@H](c2ccccc2)C1 23896782 SFKJRAHIAQPWBT-MRXNPFEDSA-N 319.763 3.693 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccc(F)cc1 29293626 JXJUYDYTERTIBQ-XCVCLJGOSA-N 319.763 3.688 0 40 DHAB O=C(NC1CC1)c1ccc(COc2ccc3ccccc3c2)o1 32611640 BFJGEFZZFGDXTI-UHFFFAOYSA-N 307.349 3.904 0 40 DHAB c1cc(Nc2ncnc3ccccc23)cc(OC[C@@H]2CCCO2)c1 32776856 DNBUPNWAYLHKLP-INIZCTEOSA-N 321.380 3.931 0 40 DHAB COC(OC)(c1ccc2c(c1)[nH]c1ccc(Cl)cc12)[C@H](C)O 34496313 QTDQYWLFPXKKNK-JTQLQIEISA-N 319.788 3.801 0 40 DHAB in-vitro Cc1c(C)n(-c2ccccn2)c2nc3c(c(N)c12)CCCCC3 36351262 PECKCOXORPSUJX-UHFFFAOYSA-N 306.413 3.888 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cc2occc2n1C 36358481 HPKIWFSPDPVWFW-UHFFFAOYSA-N 304.733 3.686 0 40 DHAB CCN(CC)[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 40007702 LMFVHFTYVVTBIC-SJLPKXTDSA-N 300.446 3.542 0 40 DHAB Cc1cc(C)c(NC(=O)NC[C@H](O)c2ccccc2F)c(C)c1 40525455 SKGISKQIRFOPQS-INIZCTEOSA-N 316.376 3.606 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)Cc1cc(C)ccc1C 44900468 CPVRRTZBDSPEII-UHFFFAOYSA-N 324.424 3.624 0 40 DHAB Cc1noc([C@@H]2CCCCN2C(=O)c2c(F)cccc2Cl)n1 46087692 LJXCDQMOWOFGMM-LBPRGKRZSA-N 323.755 3.538 0 40 DHAB Clc1cccc(CN2CCC(c3nnc(C4CC4)o3)CC2)c1 49377617 WLFQCVRPEIUUFQ-UHFFFAOYSA-N 317.820 3.980 0 40 DHAB COC(=O)c1ccccc1NC(=O)Nc1cccc(F)c1C 51354516 QAFHPEWZFPOYPU-UHFFFAOYSA-N 302.305 3.565 0 40 DHAB CCN(CC)CCOc1ccc(NC(=O)C2CCCC2)cc1 55553668 KXQZRKQMBVVJBY-UHFFFAOYSA-N 304.434 3.536 0 40 DHAB Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccncc3)[nH]c2c1 57979555 FJHDARRKMHZMIY-MRXNPFEDSA-N 321.384 3.635 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3F)s2)cc1 59475049 FSBNUGODVQGWDI-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1 64476776 ANNVHNRAEHBLLS-UHFFFAOYSA-N 321.467 3.850 0 40 DHAB Cc1nsc2ncc(C(=O)N(C3CCCCC3)C3CC3)cc12 65585168 BLBHRORCYRJDIG-UHFFFAOYSA-N 315.442 3.937 0 40 DHAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1CCOC1 71832982 VDTBHPHNKOFCQK-QFBILLFUSA-N 321.376 3.675 0 40 DHAB C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc(-c2nccn2C)c1 77446156 VWWPTXRHEYYOFE-ZDUSSCGKSA-N 324.384 3.905 0 40 DHAB CC[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1 79029632 YVILFDXRBRCRHL-FQEVSTJZSA-N 309.457 3.787 0 40 DHAB O=C(C1CCOCC1)N1CCCSc2ccc(Cl)cc21 79721408 PLTMYEMGXUDDBV-UHFFFAOYSA-N 311.834 3.595 0 40 DHAB CCn1c([C@@H]2CCCN2Cc2cscn2)nc2ccccc21 84496563 WOIKGHJRXNHSBD-INIZCTEOSA-N 312.442 3.850 0 40 DHAB CCOC(=O)c1cc(C(C)=O)ccc1OCc1ccc(F)cc1 85397455 UTKSKOIPLGAFFA-UHFFFAOYSA-N 316.328 3.784 0 40 DHAB C/C=C/C(=O)N1CCC(CSc2ccc(OC)cc2)CC1 85472322 MMGJZCPFEOGSPY-ONEGZZNKSA-N 305.443 3.602 0 40 DHAB CCOc1ccc(Oc2ccc(NCc3ncnn3C)cc2)cc1 86196998 CUDOWAIHPXSKMR-UHFFFAOYSA-N 324.384 3.618 0 40 DHAB C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ncncc1Cl 95427934 GCBPSWZRRPSZDC-DYEKYZERSA-N 315.804 3.537 0 40 DHAB CCCS(=O)(=O)Nc1ccc(NCc2ccsc2)cc1 95428839 BOQYVRNTVCVCGH-UHFFFAOYSA-N 310.444 3.512 0 40 DHAB Cc1nc2c(s1)[C@@H](NC1CC(C)(C)NC(C)(C)C1)CCC2 95967162 UAZBAKHXBSZLSP-AWEZNQCLSA-N 307.507 3.728 0 40 DHAB CO[C@H](CNC(=O)c1cc2ccccc2o1)c1cccc(F)c1 96388022 VOMOXXFQYDBDOO-QGZVFWFLSA-N 313.328 3.689 0 40 DHAB CC(C)(O)c1ccc(OCc2csc([C@H]3CCCO3)n2)cc1 96496768 WIWWMXATUFWCPQ-OAHLLOKOSA-N 319.426 3.801 0 40 DHAB O=C(c1cccc(C2OCCO2)c1)N(CC1CC1)c1ccccc1 97032303 VZHPNZXUACJWBH-UHFFFAOYSA-N 323.392 3.789 0 40 DHAB Cc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 101073653 OBMQOTGEFHNHLW-INIZCTEOSA-N 323.787 3.691 0 40 DHAB COc1ccccc1CC1CCN(C(=O)C2[C@H]3CCC[C@H]23)CC1 101457758 RYSTUDDKBOPJPP-IRXDYDNUSA-N 313.441 3.522 0 40 DHAB O=C(Nc1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1)c1ccco1 102708683 LUQXHPVADAODBJ-XEZPLFJOSA-N 322.364 3.683 0 40 DHAB O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@H]1C[C@H]1c1ccco1 106631288 UMGYCEPRKDSVPE-MBNYWOFBSA-N 317.772 3.677 0 40 DHAB C[C@@H](Cc1ccccc1F)Nc1cccc(C[S@@](C)=O)c1 188419795 XDUFWSVMFPTERI-YEJXKQKISA-N 305.418 3.747 0 40 DHAB O=C(Nc1ccccc1F)c1cnn(-c2ccc(Cl)cc2)c1 224055344 QKVUHDDKDYLFJT-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccccc1 224358841 RWQAHASUGPUNFC-UHFFFAOYSA-N 313.397 3.803 0 40 DHAB CCN(CCNC(=O)c1ccc(C)cc1Cl)c1ccccc1 225005236 BGYILRZLMFLNLR-UHFFFAOYSA-N 316.832 3.905 0 40 DHAB CCOc1ccccc1CNC(=S)Nc1c(F)cccc1F 225442550 FCRGOAGCWNMTPV-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB CCCNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1 225470316 YLJWSNPQGCKYIX-UHFFFAOYSA-N 303.793 3.806 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSC2CCCC2)c1 225515375 CHNVWLLPYAZJTQ-OAHLLOKOSA-N 321.486 3.863 0 40 DHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c2ncccc12 225904157 KIFJZDGUOWKKJM-SFHVURJKSA-N 316.401 3.777 0 40 DHAB Cc1ccccc1CCC(=O)c1ccc(N2CCOCC2)cc1 228921379 HFMULSCAYIHBNS-UHFFFAOYSA-N 309.409 3.647 0 40 DHAB Cc1cnc([C@@H]2CCCN(C(=O)c3sccc3C)C2)s1 257209531 BQTVMNNBRCFLNO-GFCCVEGCSA-N 306.456 3.841 0 40 DHAB CCc1oc2ccccc2c1CN1CCC[C@@H](c2n[nH]c(C)n2)C1 544597519 JJGJSFXMJPCWFX-CQSZACIVSA-N 324.428 3.801 0 40 DHAB COc1ccc(C2=NN3COc4ccc(Cl)cc4[C@@H]3C2)cc1 115062 AFLJSGKUEZJJDG-INIZCTEOSA-N 314.772 3.850 0 40 DHAB C[C@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)C[C@H](C)O1 126540 XMYLUYJMMPSMNS-GJZGRUSLSA-N 319.408 3.910 0 40 DHAB COC(=O)c1ccccc1OC(=O)c1ccc(C(C)(C)C)cc1 363965 BPGIFLCDCJCYMX-UHFFFAOYSA-N 312.365 3.990 0 40 DHAB CC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 407864 LKJYNIPVEOPGKQ-UHFFFAOYSA-N 308.333 3.618 0 40 DHAB CCn1c(SCC(=O)c2ccc(C)c(C)c2)nnc1C1CC1 410356 HDLOBBRKEFAQML-UHFFFAOYSA-N 315.442 3.767 0 40 DHAB CN(C)Cc1cccc(C(F)(F)F)c1[C@H](O)c1ccccc1 1662365 VIIGQOVLVXXHSL-MRXNPFEDSA-N 309.331 3.849 0 40 DHAB O=C(Nc1cccnc1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 2186973 PTIZETSPHFSZGB-QWHCGFSZSA-N 307.180 3.608 0 40 DHAB CCCCOC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1 2564428 RFAHZZDUNWEBLG-UHFFFAOYSA-N 300.354 3.573 0 40 DHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1ccc(Br)cc1 2570084 OVZXXISOLDHARA-RYUDHWBXSA-N 311.175 3.523 0 40 DHAB CCc1ccccc1NC(=O)CC(=O)Nc1ccccc1CC 3045398 HJMHUGOCWUHRRI-UHFFFAOYSA-N 310.397 3.779 0 40 DHAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3nccs3)o2)cc1 3434194 KMXVCHYILHHJRA-UHFFFAOYSA-N 312.350 3.858 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSC2CCCC2)c1C 3440912 YQLNLUSAYOVHAU-UHFFFAOYSA-N 309.431 3.667 0 40 DHAB Cc1ccccc1N1CSc2nnc(-c3ccccc3)n2C1 3843313 HIGNGZWASNZHPJ-UHFFFAOYSA-N 308.410 3.781 0 40 DHAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)cc1 3993890 RMZAYRXUTNJSDZ-OAHLLOKOSA-N 307.440 3.582 0 40 DHAB Cc1cccc(OCC(=O)OC23CC4CC(CC(C4)C2)C3)c1 4159865 MWIPHLYOVWMMBR-UHFFFAOYSA-N 300.398 3.886 0 40 DHAB O=C(CSCc1ccccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 4181215 SVRBVAGZOMOUJS-ZOWXZIJZSA-N 309.862 3.878 0 40 DHAB Cc1ccc(/C=C/c2nn3c(-c4ccco4)nnc3s2)cc1 4538901 IHVXULOFOYTBBZ-CMDGGOBGSA-N 308.366 3.925 0 40 DHAB Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccc1Cl 5448467 RCWBEXOLZZIHKZ-UHFFFAOYSA-N 323.849 3.843 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(F)cc1 5530898 XWTCLIBILWBJLQ-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB COC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2)c1 5896096 GRQODTYLYVKCPD-UHFFFAOYSA-N 300.383 3.591 0 40 DHAB Cc1ccc2nc(S)n(-c3ccc(Cl)cc3)c(=O)c2c1 6490914 KFUKIVGRMBMBHM-UHFFFAOYSA-N 302.786 3.636 0 40 DHAB C[C@H](c1ccccc1)N(C(=O)N(C)C)[C@@H]1CCOC(C)(C)C1 6662146 AKINERRJXZFIDE-GDBMZVCRSA-N 304.434 3.689 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C(C)C 7360584 SVPROMPAAHZWAD-UHFFFAOYSA-N 319.426 3.928 0 40 DHAB Cc1occc1-c1nnc(Sc2ncnc3sccc23)o1 8156665 KVISIJHMGOGCTQ-UHFFFAOYSA-N 316.367 3.794 0 40 DHAB O=C(Cc1ccsc1)OCC(=O)C12CC3CC(CC(C3)C1)C2 8231458 CUGJHHHYHDDISZ-UHFFFAOYSA-N 318.438 3.619 0 40 DHAB CCc1ccc(-c2noc(COC(=O)c3cccs3)n2)cc1 8293611 XGVDTXKWIDQPGK-UHFFFAOYSA-N 314.366 3.718 0 40 DHAB C[C@]12CCC(=O)O[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 8299077 QTBANSSXVTZHMD-DVLKJIGXSA-N 306.446 3.686 0 40 DHAB CN(C)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 8394643 KSODTLGAOULQGJ-UHFFFAOYSA-N 307.397 3.805 0 40 DHAB COc1ccccc1CNC(=O)c1nc(-c2ccccc2)oc1C 9478904 FZXPIHWKQHAHFH-UHFFFAOYSA-N 322.364 3.589 0 40 DHAB Cc1ccc(C)c(CNc2cc(S(C)(=O)=O)ccc2C)c1 11038075 GHVRSGAUFXAYAT-UHFFFAOYSA-N 303.427 3.627 0 40 DHAB CC(C)Cc1csc2nc(Cc3cccs3)[nH]c(=O)c12 12771959 PXHJGBIBLZIYES-UHFFFAOYSA-N 304.440 3.835 0 40 DHAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)NCc1cccs1 12900269 BGRGOKOVTSEWIK-RYUDHWBXSA-N 322.861 3.757 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCc2ccccc21 12941651 UIKVLWZFNLFABE-INIZCTEOSA-N 315.800 3.831 0 40 DHAB Cc1cccc(NC(=O)c2cnc3c(Cl)cccc3c2O)n1 13691633 ZYQCHSDCSIFVRK-UHFFFAOYSA-N 313.744 3.550 0 40 DHAB Clc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCC3 13735536 CHVBDUHZONKHAV-UHFFFAOYSA-N 316.773 3.741 0 40 DHAB Cc1ccc2cc3c(nc2c1)N(C(=O)c1cccc(F)c1)CC3 15841919 BQCHILGYTWDTJX-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB Cc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1 16293106 MXUXSWJHLYZKGJ-UHFFFAOYSA-N 306.163 3.797 0 40 DHAB O=C(N[C@H]1CCc2ccccc21)c1ccc(Br)cc1 16471655 OUQAHATXUCQNCH-HNNXBMFYSA-N 316.198 3.866 0 40 DHAB Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 19736093 VXVFRQHXAALKOU-NSHDSACASA-N 304.777 3.637 0 40 DHAB COc1cc(NC(=O)c2ccc(C)c(N)c2)c(OC)cc1Cl 20195065 OPRDNLHYOCXLEH-UHFFFAOYSA-N 320.776 3.500 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC1=NN=C(c2ccc(F)cc2)CS1 24841549 MSAYIKIXUIWWJA-RISCZKNCSA-N 305.422 3.801 0 40 DHAB O=C(NCc1ccc(Cl)s1)c1ccc(Br)o1 25521583 NIYBLTMIYCGDLM-UHFFFAOYSA-N 320.595 3.687 0 40 DHAB O=C(CCc1ccccc1)N[C@@H](CN1CCCC1)c1ccccc1 29177339 ZQQUWHWNASOVKL-FQEVSTJZSA-N 322.452 3.573 0 40 DHAB C[C@@H](C(=O)Nc1cnc2ccccc2c1)n1cnc2ccccc21 30577517 KKBCDQJESLJMJQ-ZDUSSCGKSA-N 316.364 3.784 0 40 DHAB CC(C)c1csc(NC(=O)c2coc(Br)c2)n1 30579918 MKABXAXPHMCIEV-UHFFFAOYSA-N 315.192 3.874 0 40 DHAB CS[C@@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 32484166 QBUZLVMVXNNFEW-RYUDHWBXSA-N 320.483 3.754 0 40 DHAB O=C(COC(c1ccccc1)c1ccccc1)Nc1cccnc1 32896766 SOHKPZUOIVWPTA-UHFFFAOYSA-N 318.376 3.826 0 40 DHAB CCCC[C@@H](CC)CNC(=O)c1ccc(Cn2ccnc2)cc1 32913673 PQSQEODXJSLNJE-MRXNPFEDSA-N 313.445 3.878 0 40 DHAB Cc1nc(-c2ccc(C(F)(F)F)cc2F)sc1C(=O)O 40566673 PLQSFZXGFFQSBZ-UHFFFAOYSA-N 305.252 3.975 0 40 DHAB COCCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(C)o1 43724027 HHCPOOVOMHUQID-CYBMUJFWSA-N 322.430 3.569 0 40 DHAB Cc1cc(N)nc(SCc2nc(-c3ccsc3)oc2C)n1 69419547 GPLHUQPSQKGJNP-UHFFFAOYSA-N 318.427 3.684 0 40 DHAB Cc1nc(-c2ccccc2F)sc1[C@H](C)NC(=O)C1CC1 69842040 NYPQGXLOGYZHSJ-VIFPVBQESA-N 304.390 3.845 0 40 DHAB O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H](C(F)(F)F)C1 71841984 AAOIECSLKOYJDM-LBPRGKRZSA-N 324.302 3.756 0 40 DHAB CC[C@@H](C)n1nccc1NC(=O)Cc1cccc(OC(F)F)c1 71884048 FRLQNAQUUFUKRA-LLVKDONJSA-N 323.343 3.637 0 40 DHAB Cc1cc(C(=O)CCCCNC(=O)OC(C)(C)C)cnc1S 72218300 YNUXKQHRLFCCFR-UHFFFAOYSA-N 324.446 3.556 0 40 DHAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)s1 72321984 BUBXBXOXJJKTBJ-LBPRGKRZSA-N 323.849 3.575 0 40 DHAB biogenic,in-vitro FC(F)(F)c1cc(-c2ccccn2)nc(-c2ccccn2)n1 75120439 KSTMUCWYXYMTPH-UHFFFAOYSA-N 302.259 3.619 0 40 DHAB Fc1cccc(Cl)c1CN1CCC(Cn2cccn2)CC1 75154703 JSSUSWDUQSFGIU-UHFFFAOYSA-N 307.800 3.588 0 40 DHAB COCC1CCN(C(=O)c2cccc(OCC=C(C)C)c2)CC1 76041484 KGCVTIKBWHCIDK-UHFFFAOYSA-N 317.429 3.530 0 40 DHAB C[C@H](NC(=O)N1CCC[C@@H]1CC1CCCCC1)[C@H]1CCCO1 84636566 GFMRVNMJRFQIHQ-USXIJHARSA-N 308.466 3.698 0 40 DHAB C[C@@H]1CCN(C(=O)CCCSC(C)(C)C)C[C@H]1n1ccnc1 95436204 CKIQXHIHUYRKBJ-HUUCEWRRSA-N 323.506 3.605 0 40 DHAB COC(=O)c1ccsc1NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 95953238 HMIUEEWZKZFZLA-NWDGAFQWSA-N 307.415 3.712 0 40 DHAB Cc1cccc(CC[C@H](C)NC2CCC3(CC2)OCCO3)c1 95967334 WYLHNZZWYGQJIS-INIZCTEOSA-N 303.446 3.591 0 40 DHAB CO[C@@H](C)c1cccc(NC(=O)NC[C@H](C)c2nccs2)c1 97113216 QTQNVMFWVHTMTE-RYUDHWBXSA-N 319.430 3.776 0 40 DHAB CO[C@@H](C)c1cccc(NC(=O)NC[C@@H](C)c2nccs2)c1 97113217 QTQNVMFWVHTMTE-NEPJUHHUSA-N 319.430 3.776 0 40 DHAB O=C(NCc1ccc2ccccc2c1)N[C@@H]1CCO[C@H](C2CC2)C1 97379118 GFJRXPMQEDMCDV-MOPGFXCFSA-N 324.424 3.597 0 40 DHAB O=C1Nc2ccccc2[C@H]1c1ncc(C(F)(F)F)cc1Cl 100820106 CSPDBGTYEXNEIV-NSHDSACASA-N 312.678 3.838 0 40 DHAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc(C)c1C 102196726 KVXCVEZZNMQOBZ-JHJVBQTASA-N 321.442 3.916 0 40 DHAB CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C=C/CO)cc1 166541826 CVCHZXBUZQSRAD-AATRIKPKSA-N 321.424 3.664 0 40 DHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 169683034 ZXDQTOXNJLYQAL-GREKMHCPSA-N 313.784 3.598 0 40 DHAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1C 224164202 CIDQYCBVQVDGHC-UHFFFAOYSA-N 303.789 3.929 0 40 DHAB CCCO[C@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@@H](C)C1 225910930 MBKUBTMFPIPDBY-FZKQIMNGSA-N 320.433 3.713 0 40 DHAB CC1(C)[C@H](c2ccc(F)cc2)CCN1Cc1occc1C(=O)O 530172941 MFJAFQQFBBWWTO-HNNXBMFYSA-N 317.360 3.885 0 40 DHAB Cc1cccc([C@@H]2CCCCN2C(=O)C[C@H](C)CC(=O)O)c1C 574415558 ZHLBKORIKWQEFD-GUYCJALGSA-N 317.429 3.858 0 40 DHAB Brc1ccc([C@@H]2C[C@@H]2CN2CCSCC2)cc1 575424335 ZFJMTEABFKBRAP-OCCSQVGLSA-N 312.276 3.601 0 40 DHAB FC(F)(F)CNc1ccccc1OCCOCC(F)(F)F 1083811716 HTCYYJNWBMJQNN-UHFFFAOYSA-N 317.229 3.619 0 40 DHAB Oc1ccnc2c(OC(F)(F)F)cc(Br)cc12 1848350345 OJYSOXRCYCZIIF-UHFFFAOYSA-N 308.053 3.602 0 40 DHAB CC1(C)CCCC2=C1C[C@@H]1C(=O)NN(c3ccccc3)C(=O)[C@H]1C2 171954 SEEZGBPPAWHPMP-HOTGVXAUSA-N 324.424 3.597 0 40 DHAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)C2CC2)CSC3)c(C)c1 190343 ZPZMFGWNTZLVSN-UHFFFAOYSA-N 313.426 3.584 0 40 DHAB COc1cccc(C(=O)Nc2ccccc2Br)c1 362104 YQCUTAWBQKHFNX-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](CC)C2 483851 TVNLYPADSZNEHK-SNVBAGLBSA-N 321.442 3.788 0 40 DHAB Cc1ccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)cc1C 549825 CGWNLOYGHLGAPX-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(C)c3C)CC2=O)cc1 1461455 VKVCHXAZNQQAAD-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB COc1ccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)cc1 1609268 KOFGCEDKGQUYDQ-UHFFFAOYSA-N 316.364 3.678 0 40 DHAB CC[C@H](C)[C@@H](C(=O)OC1CCN(CC)CC1)c1ccccc1 1726501 UBWAHRVZHIOXEQ-MAUKXSAKSA-N 303.446 3.844 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1 3494351 SPMOJKJKBSRXGV-UHFFFAOYSA-N 301.773 3.846 0 40 DHAB O=C(Cc1cccs1)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138256 HYMLKWDSYUNOPN-UHFFFAOYSA-N 324.449 3.967 0 40 DHAB O=c1nc(SCc2c(F)cccc2Cl)c2c([nH]1)CCCC2 4317108 LICIUPPRUZEKTO-UHFFFAOYSA-N 324.808 3.734 0 40 DHAB Cc1ccc(O)c(-c2cc(C(=O)Nc3c(C)cccc3C)[nH]n2)c1 5338797 ICXSOJUQUYNZSS-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccncc1 5615294 ZUGXTQXCBGFTAQ-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB COc1ccc(OC)c(CC(=O)Nc2ccc(F)c(Cl)c2)c1 6539905 DMPHWGQZJJZPEW-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB COCc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 6822571 HCUVCWHWKPWKOD-UHFFFAOYSA-N 310.397 3.686 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 6914375 CCJBHGZCVVDGSR-UHFFFAOYSA-N 323.270 3.744 0 40 DHAB COC(=O)c1ccc(C)c(NC(=S)Nc2ccccc2)c1 6966934 XCPQPFKFBAZVQI-UHFFFAOYSA-N 300.383 3.591 0 40 DHAB Cc1nnc(SCc2coc(-c3cccs3)n2)n1C1CC1 7617841 GXIXOPRCMQKZPJ-UHFFFAOYSA-N 318.427 3.930 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1ccccc1Cl 9070912 YXBKVHHNWSVRPF-UHFFFAOYSA-N 321.808 3.988 0 40 DHAB Cc1sc2nc(NC3CCCCC3)n3ncnc3c2c1C 9340228 GDULCJLLORJSMR-UHFFFAOYSA-N 301.419 3.700 0 40 DHAB CC(C)[C@H](NC(=O)Nc1ccn(C)n1)c1ccc(Cl)cc1 10585947 VSEPPCOLGXRFBT-AWEZNQCLSA-N 306.797 3.592 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)s3)cnc21 12615212 XWJZZXKXZXBURK-UHFFFAOYSA-N 320.805 3.979 0 40 DHAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(Cl)cc1 12938887 NAHUOMXFOGTLLB-DOMZBBRYSA-N 315.800 3.769 0 40 DHAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)s1 12974763 QHCCWRPMVAXFHT-VIFPVBQESA-N 323.801 3.842 0 40 DHAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1cccc(Cl)c1 13250145 RQQVHQUQDMFHEW-CQSZACIVSA-N 303.745 3.537 0 40 DHAB O=C(NC1CC1)c1ccc(OCc2ccccc2Cl)cc1 13687574 LGNXPLGOHGTGGK-UHFFFAOYSA-N 301.773 3.811 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCCC2)c1 14094670 JCFAOBINLTZLLV-IBGZPJMESA-N 322.408 3.665 0 40 DHAB CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1OC 15979698 UVQFWCZMAXORDT-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB CSc1ccccc1C(=O)NCc1cc(-c2ccccc2)on1 21010064 FGEGFMMCYFSIJW-UHFFFAOYSA-N 324.405 3.994 0 40 DHAB CCCCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 22533103 CZSFJZJLWQOKJS-INIZCTEOSA-N 302.462 3.839 0 40 DHAB Cc1sc2ncnc(N[C@@H]3CCCc4c3cnn4C)c2c1C 25567266 RYPHSXSLNZBWLA-GFCCVEGCSA-N 313.430 3.531 0 40 DHAB Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1F 29483688 DVUWCQJHPRPDEH-SFHVURJKSA-N 312.388 3.692 0 40 DHAB CC1CCC(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 32802915 OVKCIQQVEHKXPG-MVKMKZAISA-N 306.372 3.985 0 40 DHAB O=C(CCC1CCCC1)NCC1(c2ccccc2)CCOCC1 38591733 WBLKMQVAIDUKQP-UHFFFAOYSA-N 315.457 3.821 0 40 DHAB COCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)c(C)s1 39975644 MWNFPQQIIJCDIJ-UHFFFAOYSA-N 304.415 3.629 0 40 DHAB COc1ccc(NC(=O)NCc2ccccc2Cl)cc1OC 40097649 WVOFOFWAIOAXIQ-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(Cl)cc1F 40108302 RPZONSCKJKFWAF-NHYWBVRUSA-N 313.800 3.804 0 40 DHAB Cc1cc(N(C)C)ccc1NC(=O)c1cc2cc(F)ccc2[nH]1 40111617 NQFZDWZGXJJOKY-UHFFFAOYSA-N 311.360 3.934 0 40 DHAB O=C(NCc1nc2ccccc2s1)c1ccc(O)c(Cl)c1 40457581 VJBDTMAAZRJXDC-UHFFFAOYSA-N 318.785 3.585 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2csc3ccccc23)c1 46920240 HQJVKNJTKPQXCL-UHFFFAOYSA-N 312.394 3.704 0 40 DHAB Cc1cc(C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)on1 48367874 LBFVPFRIXPMZOZ-AWEZNQCLSA-N 313.401 3.610 0 40 DHAB O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccncc1 54674967 XJKLQBSUUGJJCL-UHFFFAOYSA-N 318.380 3.534 0 40 DHAB CCCn1c(NC(=O)c2ccc[nH]c2=S)nc2ccccc21 54763127 QQTAERHDHFAUKY-UHFFFAOYSA-N 312.398 3.756 0 40 DHAB CCOc1ccccc1NCC(=O)N1c2ccccc2CC[C@@H]1C 57974082 BNNOGRRNCWJFIZ-HNNXBMFYSA-N 324.424 3.865 0 40 DHAB O=C(C1CCOCC1)N(Cc1ccccc1F)C1CCCCC1 65588718 NFOOKHSMGHCSSA-UHFFFAOYSA-N 319.420 3.914 0 40 DHAB CCc1nc(CN(C)C(=O)C[C@H](C)c2ccccc2F)cs1 71184944 AKGHXGIUJKZLQH-LBPRGKRZSA-N 320.433 3.997 0 40 DHAB CCCn1cc(NC(=O)Nc2cccc([C@@H](C)OC)c2)cn1 72943745 JAGXJOQHBLGDTE-GFCCVEGCSA-N 302.378 3.645 0 40 DHAB C[C@H](Nc1cccc(NC(=O)CO)c1)c1ccc(F)c(Cl)c1 79030816 IGBKSUXYZCQIOI-JTQLQIEISA-N 322.767 3.583 0 40 DHAB O=c1[nH]c([C@H]2CCCS2)nc2cc(C(F)(F)F)ccc12 84452305 WJQIKMRGVRVKPA-SNVBAGLBSA-N 300.305 3.510 0 40 DHAB COc1cccc([C@@H](C)CC(=O)N(C(C)C)C2CCOCC2)c1 84550767 ZSUGOBCFGSZCNA-HNNXBMFYSA-N 319.445 3.605 0 40 DHAB C[C@H]1CN(CCNCc2cccc(-c3ccccc3)c2)C[C@H](C)O1 84706319 ZBMDBHYASIVXSV-ROUUACIJSA-N 324.468 3.552 0 40 DHAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(Cl)cc1 84714630 XDUMUDSOHQQVSQ-IGCXYCKISA-N 320.864 3.638 0 40 DHAB Cc1sc(C(=O)NCc2ncc[nH]2)cc1-c1ccc(F)cc1 87353029 KXLYEBODNRSYRP-UHFFFAOYSA-N 315.373 3.516 0 40 DHAB Nc1ccc(-c2nc(-c3cccc(OC(F)F)c3)no2)cc1 89262414 DZGZRZOXMYEMRL-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB O=C(O)CO[C@H](c1c(Cl)cccc1Cl)C(F)(F)F 95096398 LZQYHDSUKVOTGN-SECBINFHSA-N 303.063 3.698 0 40 DHAB C[C@@H](NC1(CN[C@H](C)c2cnccn2)CCCC1)c1ccccc1 95422917 GCYSLJZYIUAWLE-IAGOWNOFSA-N 324.472 3.791 0 40 DHAB COc1cccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c1 95917145 OJBHONSIPVTNDC-UHFFFAOYSA-N 302.198 3.622 0 40 DHAB c1csc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c1 96056997 JHDIDDVJHZMBTB-QZTJIDSGSA-N 321.486 3.546 0 40 DHAB C[C@H](C(=O)Nc1ccc(OC2CCCC2)c(F)c1)n1ccnc1 96426873 BIHVUDANBHBMCF-GFCCVEGCSA-N 317.364 3.543 0 40 DHAB CC(C)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102177554 VVXIDVKPAQZJAR-JLJPHGGASA-N 313.397 3.504 0 40 DHAB COc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1N 111310028 YVOJHYMAWNVCBW-UHFFFAOYSA-N 301.733 3.648 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1C 113960066 WKJOXELSBTUCDB-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB CCc1ccc(CC)c(CNC(=O)COc2cccc(C)c2)c1 222765792 VBOJTZGXZWQTDA-UHFFFAOYSA-N 311.425 3.815 0 40 DHAB CC[C@H](NC(=O)Cc1cccs1)c1ccc(OC)c(OC)c1 225549112 DBGVJWDWLIARIS-AWEZNQCLSA-N 319.426 3.575 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Cc1ccc(CC)cc1 225734660 KCEORSZZOCTNNU-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1ccccc1C(F)(F)F 226324152 ICZIPTQLUMJXPD-UHFFFAOYSA-N 323.318 3.606 0 40 DHAB Cc1cc(Cl)cc(=O)n1Cc1ccc(C(F)(F)F)cc1 257197742 IEFGOYABSBTKBL-UHFFFAOYSA-N 301.695 3.877 0 40 DHAB CNc1cccc(CC[C@H]2CCCCN2C(=O)c2ccccc2)n1 257223199 DWIMPZXEJMEAFB-GOSISDBHSA-N 323.440 3.751 0 40 DHAB Cc1cc(CC[C@@H]2CCCN2Cc2nccn2C(C)C)ccn1 257265785 MAFRZYJQMINMCW-SFHVURJKSA-N 312.461 3.765 0 40 DHAB Cc1ccc(-c2nnc(CN(C)C(=O)C3CCCCC3)o2)cc1 408714786 WTFJYVMLUXDCPK-UHFFFAOYSA-N 313.401 3.584 0 40 DHAB CCCCOCc1nn(CC(F)(F)F)cc1Br 408715886 GHFIGXMSJIHSGU-UHFFFAOYSA-N 315.133 3.525 0 40 DHAB Cn1c([C@@H]2CCCCN2Cc2ccncc2)nc2ccccc21 534343099 VQEPOXMWFINFDB-SFHVURJKSA-N 306.413 3.696 0 40 DHAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCc1ccco1 112853 FHSBJJLWECQUMM-VMPITWQZSA-N 311.259 3.508 0 40 DHAB COc1cc(CCc2cc(OC)cc(OC)c2)cc(OC)c1 400272 JMNPTZPSNHUERJ-UHFFFAOYSA-N 302.370 3.506 0 40 DHAB in-vitro COc1ccc([C@@H](C)c2cc(OC)c(OC)cc2OC)cc1 1587178 RZMSSHGMQOVNGV-GFCCVEGCSA-N 302.370 3.873 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1 3221189 DPLVXRKBHXDZKJ-UHFFFAOYSA-N 324.163 3.737 0 40 DHAB Cc1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1C 3607396 KMOKWHFOVHUDBE-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB CCC[C@H](C)C(=O)Nc1nnc(CCc2ccccc2)s1 4696307 ILWHSMLMTCLYGC-LBPRGKRZSA-N 303.431 3.698 0 40 DHAB COc1ccccc1OCCC(=O)Nc1cccc(Cl)c1 6083433 GOGNMDYAOVBWTJ-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB Cn1ccnc1SCc1csc(Nc2ccccc2)n1 6315493 ORFIIJJCLQWHDS-UHFFFAOYSA-N 302.428 3.913 0 40 DHAB Cc1ccc(C)c(OC[C@H](O)CNC2CCC(C)CC2)c1C 7058904 GZLIWOLYPLEXFD-ZTUNLMCQSA-N 305.462 3.520 0 40 DHAB CCn1c(CN[C@H]2CCc3ccccc3C2)nc2ccccc21 8165446 JYTRMNXYAZKBIN-KRWDZBQOSA-N 305.425 3.703 0 40 DHAB c1ccc(NN2C34N(c5ccccc5)C23N4c2ccccc2)cc1 8450655 VLRQYDARPXKORQ-UHFFFAOYSA-N 312.376 3.677 0 40 DHAB O=S(=O)(NCC1CCCCC1)c1cccc(C(F)(F)F)c1 8987662 BJNRHBQTCAVBFO-UHFFFAOYSA-N 321.364 3.564 0 40 DHAB Cc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(C)c1OC(F)F 9884540 YRDJSVNEWUVTFE-HNNXBMFYSA-N 318.323 3.759 0 40 DHAB COc1ccc(SCCC(=O)Nc2ccc(F)cc2)cc1 10219615 LZJHELYPDRMICL-UHFFFAOYSA-N 305.374 3.955 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Cl 11636405 HZTPADIFLWUKKH-LLVKDONJSA-N 305.761 3.755 0 40 DHAB COc1ccc(/C=C/CNc2n[nH]c3nc(C)cc(C)c23)cc1 12143048 LAFGFPSGLMADHR-SNAWJCMRSA-N 308.385 3.709 0 40 DHAB COc1ccc2cc(CNc3nccs3)c(Cl)nc2c1 12491742 GZTKLILOIJGOJZ-UHFFFAOYSA-N 305.790 3.965 0 40 DHAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc2[nH]cnc2c1 12540562 YXJQGSSIAVGZOY-UHFFFAOYSA-N 312.398 3.541 0 40 DHAB CC(C)CCOc1ccc2nc3n(c(=O)c2c1)CCCCC3 12902791 NXOMRNDODQXDJD-UHFFFAOYSA-N 300.402 3.548 0 40 DHAB biogenic C#C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 13398692 QDYCOIXEXYKTPX-GGGZUALOSA-N 314.469 3.963 0 40 DHAB biogenic CC(C)c1n[nH]c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1 14162010 ZEVZSPLWOPXMPY-SNVBAGLBSA-N 314.414 3.773 0 40 DHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(F)cc1F 14252864 MDVUDICKONMKDB-UHFFFAOYSA-N 311.291 3.674 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC1CCCCCC1 14400295 FYWYFLGGIZIDHH-QGZVFWFLSA-N 305.418 3.692 0 40 DHAB COC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2N)c1 14629498 XUSZXGBDCSESHQ-UHFFFAOYSA-N 311.259 3.867 0 40 DHAB O=C(NCc1ccncc1)c1ccc(-c2ccccc2Cl)o1 15525442 OLVXNZKPDGGODG-UHFFFAOYSA-N 312.756 3.925 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)s1 15797245 YXVOQZQAVWDTEK-DTWKUNHWSA-N 302.237 3.819 0 40 DHAB Cc1nc(CNC(=O)C(c2ccccc2)c2ccccc2)cs1 15832292 XJFMOXYVUQKTGP-UHFFFAOYSA-N 322.433 3.900 0 40 DHAB COc1ccc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 17360956 SQJLSCUTXUPPMU-UHFFFAOYSA-N 313.397 3.880 0 40 DHAB C[C@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc2c(c1)CCCC2 21578996 GJZFCXFLSIUPBM-HOTGVXAUSA-N 314.473 3.617 0 40 DHAB CCN(Cc1cccs1)S(=O)(=O)c1c(C)cc(C)cc1C 22276696 SUTZEVIBVMOUOP-UHFFFAOYSA-N 323.483 3.884 0 40 DHAB C[C@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccccc1 25417835 HXASQENKEMOQKF-OAHLLOKOSA-N 319.408 3.694 0 40 DHAB Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 27604830 BTJBMZFQQBHNOP-INIZCTEOSA-N 314.454 3.623 0 40 DHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccn2)c1 27652615 VLWKJNKPIVZVBQ-UHFFFAOYSA-N 323.352 3.518 0 40 DHAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)c(Cl)c1 31255544 DJAZPEXPCCPPNS-UHFFFAOYSA-N 323.135 3.680 0 40 DHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@]1(C)CC1(Cl)Cl 32931249 REZQBCQQVAOHRP-RNCFNFMXSA-N 320.647 3.971 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@H]1CCC2=O 35565359 OSVMTWJCGUFAOD-XTBHHOAESA-N 302.414 3.973 0 40 DHAB O=C(O)c1nsc2c1N=C(O)C[C@H]2c1cccc(Cl)c1 36559081 IXHZGXFSBARJLH-QMMMGPOBSA-N 308.746 3.618 0 40 DHAB N=c1ccn(C/C=C/CN2C=CC(=CN=O)C=C2)c2ccccc12 38172543 LAROJPYFOGYZEQ-DKFURHEUSA-N 318.380 3.670 0 40 DHAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCc2ccccc21 40017855 RPFDTCSLENORQN-OAHLLOKOSA-N 301.773 3.766 0 40 DHAB CCc1nc(NC(=O)COc2ccc(Cl)cc2)sc1C 40118984 MQLBPIARIZRCPT-UHFFFAOYSA-N 310.806 3.685 0 40 DHAB CCc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 40549064 HTUHAQMLPABGKN-UHFFFAOYSA-N 307.353 3.597 0 40 DHAB COc1ccc2ccccc2c1CNCc1ccc(N(C)C)nc1 42227414 ZTNNJWVILTUKBY-UHFFFAOYSA-N 321.424 3.599 0 40 DHAB CCC(CC)c1nnc(NC(=O)c2sc(C)nc2C)s1 44671227 GMZVZUAZQKBCGL-UHFFFAOYSA-N 310.448 3.767 0 40 DHAB COc1cccc(NC(=O)NCc2ccc(OC(C)C)cc2)c1 45311648 KSWPYVVKQAUPCZ-UHFFFAOYSA-N 314.385 3.804 0 40 DHAB Cc1ccccc1CC(=O)Nc1ccc(Oc2ncccn2)cc1 48202736 FFHOVLJGFQZTEW-UHFFFAOYSA-N 319.364 3.759 0 40 DHAB Nc1[nH]nc(-c2ccc(Cl)s2)c1-c1ccc2c(c1)OCO2 51172216 AAXRTQLVSHNSMY-UHFFFAOYSA-N 319.773 3.770 0 40 DHAB COc1ccc(NC(=O)N2CCc3sccc3C2)cc1C 56752059 FGYDSAGBFPHBNI-UHFFFAOYSA-N 302.399 3.655 0 40 DHAB COC[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 56922098 IPNPYLGBXXSWKI-QGZVFWFLSA-N 323.436 3.704 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cn1 65534034 GIYOJOSAQCXWGQ-UHFFFAOYSA-N 323.440 3.808 0 40 DHAB Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)(F)F)cn1 69374788 MEMQTYXUTSSQFF-UHFFFAOYSA-N 308.303 3.595 0 40 DHAB C[C@@H](NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)CO2 69558223 BTXUIIWDSAVFBR-LLVKDONJSA-N 316.788 3.522 0 40 DHAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1)C1CC1 72215394 INBLUKWKLVJCOR-HNNXBMFYSA-N 317.433 3.800 0 40 DHAB CCc1csc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 72282203 KAYGOYRMFZACJN-KGLIPLIRSA-N 304.459 3.768 0 40 DHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cc(F)cc(F)c2)on1 72395106 JUKSTDHJOUXPQI-SUMWQHHRSA-N 306.356 3.762 0 40 DHAB C[C@@H](Oc1ccccc1NC(=O)[C@@H]1CCCO1)c1ccccc1 79360313 AFBPGPBLZDLZCW-KDOFPFPSSA-N 311.381 3.944 0 40 DHAB CC(=O)Nc1cc(NCc2ncc(C(C)(C)C)o2)c(F)cc1F 85274992 FLYROBBRDTZEFE-UHFFFAOYSA-N 323.343 3.821 0 40 DHAB CS[C@@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 89493387 FDHACZBVQMFWSF-NWDGAFQWSA-N 324.412 3.787 0 40 DHAB O=C(NCc1ccccn1)N1C[C@H]2CCCC[C@@]21c1ccccc1 91531752 YPSNSUJUJHCIFI-YLJYHZDGSA-N 321.424 3.693 0 40 DHAB CCC(=O)Nc1ccc([C@H](C)NCc2cnc(CC)s2)cc1 95409407 FPTPVHLPJFLZNO-LBPRGKRZSA-N 317.458 3.905 0 40 DHAB CC(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 95436624 GFNIXSQFIWYIPI-UHFFFAOYSA-N 304.777 3.884 0 40 DHAB CCC(=O)N1CC[C@H](N[C@@H](C)c2cc3cc(Cl)ccc3o2)C1 95988000 YVEDMSPDDWZJFT-FZMZJTMJSA-N 320.820 3.748 0 40 DHAB C[C@H](CCn1cccn1)N[C@H](C)c1cccc(Br)c1 95996213 KAOMJMHNIJXKMG-CHWSQXEVSA-N 322.250 3.775 0 40 DHAB CC(C)(C)SCCCC(=O)N1CC[C@H](Cc2ccncc2)C1 96007843 CQZDWRQVWKQZGS-MRXNPFEDSA-N 320.502 3.785 0 40 DHAB O=C(Nc1cccs1)N(Cc1ccco1)C1CCOCC1 96025026 SYHSWNHLLBGLRH-UHFFFAOYSA-N 306.387 3.554 0 40 DHAB C[C@@H](CCO)CNC(=O)Nc1ccc(SC(C)(C)C)cc1 96434511 BFAYKNBLMPCWAK-LBPRGKRZSA-N 310.463 3.717 0 40 DHAB O=C(O)c1coc(C(=O)Nc2cc(-c3ccco3)ccc2F)c1 97115276 XXHCABKOTDAUFA-UHFFFAOYSA-N 315.256 3.629 0 40 DHAB O=C(Nc1ccc2sncc2c1)c1ccc(C(F)(F)F)nc1 97165547 VBXWGGNRWMVGMZ-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB O=C(O)C1=C[C@@H](/C=C/c2ccccc2)n2c(nc3ccccc32)N1 102243889 UMDQFHZKCIQWDW-PLSXKVAHSA-N 317.348 3.685 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSC(C)(C)C 113959314 VJVKMGCWFVLJMQ-CYBMUJFWSA-N 313.438 3.631 0 40 DHAB COc1cccc(CNc2cccc(NC(=O)c3ccoc3)c2)n1 191420601 JPIQUODWMBIFKV-UHFFFAOYSA-N 323.352 3.548 0 40 DHAB COc1ccc2c(c1)[C@H](NC1C[C@H](C)O[C@@H](C)C1)CCS2 191539685 PQWJKURQAPWBOT-MQIPJXDCSA-N 307.459 3.778 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 224207285 ZPPLFXSFRMOTFZ-CHWQCYJSSA-N 313.441 3.638 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccccc2)cc1C 224439629 SXYAVJBBLGAKFS-HNNXBMFYSA-N 313.397 3.591 0 40 DHAB Cc1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225019160 HHFRXFRTLUBBOR-INIZCTEOSA-N 323.436 3.958 0 40 DHAB CCOc1cccc(CNC(=S)Nc2cccc(OC)c2)c1 225438558 HUSUGRUSPVHQQG-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB COc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225637974 PQDCRMFTKLHRPI-KZULUSFZSA-N 305.418 3.846 0 40 DHAB CC[C@@H](NC(=S)Nc1ccc(OC)nc1)c1ccccc1C 225759388 UCMNPEWZFVSWCL-OAHLLOKOSA-N 315.442 3.836 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 225778471 CFGSKLFXCUVBPS-ZMSDIMECSA-N 301.430 3.802 0 40 DHAB CCCCOc1ccc(NC(=O)C2(OC)CCCCC2)c(C)n1 225888078 JBZSRMIJULVTTD-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB CCOc1ncc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225900698 DBEVNLQASFVEFU-UGSOOPFHSA-N 320.433 3.713 0 40 DHAB Cc1cc2cc(C(=O)N3CC[C@@]4(C)C[C@H](O)CC[C@@H]34)ccc2o1 257239315 HOTHMHBQSOIVSI-SUMDDJOVSA-N 313.397 3.507 0 40 DHAB Cc1ncsc1-c1cc(C(=O)N(C)Cc2ccccc2)ccn1 257340275 ZFHSORVMLKVBRV-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB O=C(c1c(F)cc(Br)cc1F)C(F)(F)Cl 379912217 NLOUPIPNMXHZPI-UHFFFAOYSA-N 305.452 3.742 0 40 DHAB CC(=O)Nc1ccccc1SCc1cccc(C(=O)O)c1 408526356 AAWKMDSKOPNCNX-UHFFFAOYSA-N 301.367 3.636 0 40 DHAB O=C(NCc1ccc(F)cc1)N1CCc2sc(Cl)cc2C1 574568667 VRQPEIIXHFBYAC-UHFFFAOYSA-N 324.808 3.809 0 40 DHAB Cc1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1Br 725239374 NPUHXANKJCWSIS-UHFFFAOYSA-N 306.081 3.984 0 40 DHAB CC1CCC(C(=O)N2CCC([C@@H]3CCCCN3C)CC2)CC1 1565544585 NNUYANLTXYPQBE-VJFUWPCTSA-N 306.494 3.536 0 40 DHAB COc1ccc([C@@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 340712 DEEATEZDZDETJW-VQTJNVASSA-N 311.425 3.608 0 40 DHAB COC(=O)c1cccc(Cl)c1C(=O)c1ccc(C)cc1C 1691208 XLFQCVLEDRKUGD-UHFFFAOYSA-N 302.757 3.974 0 40 DHAB COc1ccc(Br)c(C(=O)c2ccc(F)cc2)c1 2567547 HVHCXFXBHLGHHQ-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB O=C1/C(=C/c2ccc(Br)cc2)N=C2CCCCCN12 3207066 QCKQLYNZJNKHQJ-RAXLEYEMSA-N 319.202 3.605 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccncc2)cs1 4063218 LMYLGRCCWYXICQ-VOTSOKGWSA-N 307.378 3.857 0 40 DHAB COc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c(OC)c1 4702653 FGVXVAIWFPQPFK-UHFFFAOYSA-N 310.353 3.746 0 40 DHAB CCCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12 4918842 VDMFXQGQFFXFGQ-UHFFFAOYSA-N 307.419 3.912 0 40 DHAB CC[C@H](C)[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 6440744 MNDHHXNRWCXHNR-CPCISQLKSA-N 319.188 3.614 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1ccccc1Cl)S[C@H](C)C(=O)N2 6678463 ZKTSGSXKKFBBAW-PRHODGIISA-N 307.806 3.535 0 40 DHAB Cn1cccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccccc1 7088024 ARZQFMGOCYDLKW-LJQANCHMSA-N 317.392 3.792 0 40 DHAB O=C(OCc1cc(-c2ccco2)on1)c1ccc2c(c1)CCC2 7273208 RGRRARMEQYHEOI-UHFFFAOYSA-N 309.321 3.780 0 40 DHAB CCCCCCc1c(C)nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c1=O 8020298 UOFFHNRHOYVQKV-ZIAGYGMSSA-N 305.466 3.683 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)cc1 8389953 VUNQRJQVLPRWPF-LLVKDONJSA-N 304.777 3.788 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2cc(F)ccc2C)c1 8751715 DNMRYMQRIJSEFD-UHFFFAOYSA-N 316.332 3.955 0 40 DHAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1cccnc1 12634252 HJBGEHJXKDKVAQ-UHFFFAOYSA-N 318.332 3.999 0 40 DHAB CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccsc1 13011260 MAPPXDKCJSKEDF-SFHVURJKSA-N 324.449 3.934 0 40 DHAB FC(F)(F)c1cnc(Sc2nc(C3CC3)n[nH]2)c(Cl)c1 14241446 KVSFDTSKHKDKQG-UHFFFAOYSA-N 320.727 3.901 0 40 DHAB O=C(CNc1ccc(Cl)cc1)N1CCSc2ccccc21 15289637 PGBZOKMGWYICHS-UHFFFAOYSA-N 318.829 3.891 0 40 DHAB O=C(NC1CCCCCC1)C1(c2ccccc2)CCOCC1 16985170 FURJXCOKFYMFBU-UHFFFAOYSA-N 301.430 3.574 0 40 DHAB O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1CCc1ccccc1 19371006 YASBZADDGJVEHM-RBUKOAKNSA-N 315.457 3.960 0 40 DHAB CCCc1cc([C@@H]2CCCCCN2C(=O)c2cccnc2)no1 19525401 BYLYYEOIEKJGMH-KRWDZBQOSA-N 313.401 3.780 0 40 DHAB C1C2CC3CC1CC(C2)C3N1CCN([C@H]2C[C@@H]3CC[C@H]2C3)CC1 19771304 DGBCPCJXUAXBRF-GCTRJKTOSA-N 314.517 3.617 0 40 DHAB COC(=O)c1cc(NC(=S)Nc2ccccc2)ccc1Cl 20244209 ARNNGCYJMPKMHJ-UHFFFAOYSA-N 320.801 3.936 0 40 DHAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2ccco2)on1 24668428 MGYYCGWLEMWUIK-UHFFFAOYSA-N 316.744 3.860 0 40 DHAB COc1ccc(CC(=O)Nc2ccc(C)c3ncccc23)cc1 31091996 FOUCKLLFTWPUFD-UHFFFAOYSA-N 306.365 3.733 0 40 DHAB C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCCC1 36077117 BYWOVHMCLUFGFJ-MRXNPFEDSA-N 308.425 3.568 0 40 DHAB CC(C)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 37530302 SHFCKFJTPRMDBZ-JZXOWHBKSA-N 305.462 3.528 0 40 DHAB CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC(C)C 40121686 QVBUGGNSDPJJRZ-LSDHHAIUSA-N 307.434 3.712 0 40 DHAB Cc1nc(NC(C)C)sc1C(=O)NCc1ccccc1Cl 40286051 UOJKDJRMZGDIMH-UHFFFAOYSA-N 323.849 3.855 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c(OC)c1 40473843 UJESKAGWSGNCBV-RHSMWYFYSA-N 315.413 3.724 0 40 DHAB Cc1oc(-c2cccs2)nc1C(=O)NC(C1CC1)C1CC1 46785414 GJGNYQQYHMGGGU-UHFFFAOYSA-N 302.399 3.630 0 40 DHAB CCn1cc(C(=O)Oc2ccc(NC(C)=O)cc2)c2ccccc21 48235791 UMANMDKLKBCLOB-UHFFFAOYSA-N 322.364 3.839 0 40 DHAB COc1ccc(CSCC(=O)Nc2ccccc2)cc1OC 59461530 KHHXTWPJGTVJSI-UHFFFAOYSA-N 317.410 3.576 0 40 DHAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1 59740459 OPIKHTSHJMPIAB-GFCCVEGCSA-N 322.836 3.563 0 40 DHAB Cc1nc2c(C)cccn2c1C(=O)N1CCCc2ccccc21 71458644 NQZOFZMLLIXREU-UHFFFAOYSA-N 305.381 3.544 0 40 DHAB Cc1nnc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)o1 72292764 SYTVXFJCOXIZOU-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB Cc1cc(C(=O)NCC[C@H](O)c2cccc3ccccc23)c(C)o1 77116375 CFLAPMAOSOAALQ-IBGZPJMESA-N 323.392 3.903 0 40 DHAB Cc1cnc([C@@H](C)NC(=O)Nc2cccc3[nH]ccc23)s1 78538714 CKCSYENPBICMEI-SNVBAGLBSA-N 300.387 3.816 0 40 DHAB Cc1cccc2nc(CNc3ccc(-c4cncnc4)cc3)cn12 84234382 PCHQLPJGMKYTFM-UHFFFAOYSA-N 315.380 3.712 0 40 DHAB Cc1ccc(-c2noc(COc3cccc(C=O)c3)n2)cc1C 89262891 NFCJIVCSQIEAJG-UHFFFAOYSA-N 308.337 3.745 0 40 DHAB CN(Cc1nc(-c2cccnc2)cs1)C(=O)OC(C)(C)C 92197159 JNCWYQDRZZVXAY-UHFFFAOYSA-N 305.403 3.572 0 40 DHAB COc1ccc(C)cc1NC(=O)N1CC=C(c2ccccc2)C1 95467009 SZYAFDINEQXETG-UHFFFAOYSA-N 308.381 3.935 0 40 DHAB N[C@@H](c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)n[nH]1 95533997 XONOXRIXVNDEIP-ZDUSSCGKSA-N 319.195 3.827 0 40 DHAB c1csc(CN2CCC3(CCN(Cc4ccoc4)CC3)C2)c1 96046524 LFXUDSUQBOCIMU-UHFFFAOYSA-N 316.470 3.829 0 40 DHAB CC(C)C(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2C(C)C 96080044 UEWGVORVUXTLDM-UHFFFAOYSA-N 316.445 3.558 0 40 DHAB Cc1noc(Cc2ccccc2NC(=O)Nc2cccs2)n1 96097081 MNZDVPNINJHPAS-UHFFFAOYSA-N 314.370 3.674 0 40 DHAB CC[C@H](C)[C@@H](C(=O)NCCc1cscn1)c1ccccc1 96408457 WFAAIHOHIIQJBU-XJKSGUPXSA-N 302.443 3.632 0 40 DHAB CO[C@@H](C)[C@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 97104850 IZGPDUXVUCOTSN-GJZGRUSLSA-N 321.461 3.683 0 40 DHAB C[C@@H]1CCCN(C(=O)CSc2nncs2)c2ccccc21 97112049 AXMBAQVLEFNNJT-LLVKDONJSA-N 319.455 3.561 0 40 DHAB COc1ccc([C@H]2C[C@@H](C)N(Cc3nc(C)c(C)o3)C2)cc1 110607749 BYBMAZJWTHVUAJ-WBMJQRKESA-N 300.402 3.678 0 40 DHAB CCO[C@H](C)c1nc(CN[C@@H]2CC(C)(C)OC2(C)C)cs1 119894297 YPXWPPSSTROEPO-DGCLKSJQSA-N 312.479 3.676 0 40 DHAB 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320.348 3.680 0 40 DHAB Cc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1C 409195222 NQCAIKMKLRRANK-UHFFFAOYSA-N 308.425 3.875 0 40 DHAB CC1CCN([C@@H](C(=O)O)c2ccc(Cl)cc2Cl)CC1 568872257 OBIYFNZCYZNGRZ-CYBMUJFWSA-N 302.201 3.851 0 40 DHAB O=C(O)c1coc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 572729297 XCAAMFMQKIPLIN-LBPRGKRZSA-N 317.307 3.532 0 40 DHAB O=C(N[C@@H]1CCC12CCOCC2)C1(c2cccs2)CCCC1 585408419 IUKDMISNBXUDBD-CQSZACIVSA-N 319.470 3.635 0 40 DHAB Cc1cc(C)c2c(NC(=O)Nc3cccc(Cl)c3)n[nH]c2n1 53034 XFYWPVIBCORONW-UHFFFAOYSA-N 315.764 3.872 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)Nc1cccc2cccnc12 364655 RGLJMCUNALCMBT-CQSZACIVSA-N 306.365 3.949 0 40 DHAB FC(F)(F)c1cc(-c2ccco2)nc(-n2cc(Cl)cn2)n1 426675 KABXHQPXUMMZBF-UHFFFAOYSA-N 314.654 3.595 0 40 DHAB CN(C)c1nn(C(=S)Nc2ccccc2)cc1-c1ccccc1 1384674 WXHIEWDUGQDXRH-UHFFFAOYSA-N 322.437 3.861 0 40 DHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@@H]12 1642095 INHMMEWBTMZXLR-VUHPKUFZSA-N 300.398 3.847 0 40 DHAB O=C(Cc1cccc2ccccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 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CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 20142115 UKZREPZJQPWLPF-GFCCVEGCSA-N 313.353 3.814 0 40 DHAB O=C(COc1ccccc1Cl)N1CCSc2ccccc21 21331633 PGJIRROMIMWQJU-UHFFFAOYSA-N 319.813 3.858 0 40 DHAB COc1ccc(NC(=O)CCc2ccccc2Cl)c(OC)c1 22130833 OOBZSGDTNOTOCW-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2F)cc1 23543580 ZRCTTYLRQMKJOU-ZDUSSCGKSA-N 301.361 3.644 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C)cn1 27975755 JOIMKZGCEMSVFZ-KRWDZBQOSA-N 310.397 3.675 0 40 DHAB CC[C@@H](C)n1nccc1NC(=O)COc1ccc(Cl)cc1 27989951 ODHXLUPJVSYFCE-LLVKDONJSA-N 307.781 3.525 0 40 DHAB COc1ccc(C)cc1[C@H](C)NC(=O)NCCC1CCCC1 31164679 TZNDTOALDKZWRE-AWEZNQCLSA-N 304.434 3.944 0 40 DHAB COC(=O)c1ccoc1COc1ccc(C)c2c1C(=O)C[C@@H]2C 32899111 JODFGGCHBLQXBV-NSHDSACASA-N 314.337 3.644 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CCCC[C@H]1C(F)(F)F 40553257 NWOQMBOLOUFMBT-DTWKUNHWSA-N 319.352 3.723 0 40 DHAB COc1cccc(CC(=O)N2CCCCC[C@@H]2c2ccncc2)c1 49764638 NXKKULUZLAWQEZ-LJQANCHMSA-N 324.424 3.777 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DHAB Fc1ccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)cc1 4540222 OFHDTMNRWWGTSH-ZZXKWVIFSA-N 323.356 3.557 0 40 DHAB CCOc1ccc(NCc2cc3cccc(C)c3[nH]c2=O)cc1 5026669 HIHRFHYBEIFSHV-UHFFFAOYSA-N 308.381 3.847 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3ccc(C)c(C)c3)cc2c1 5148661 YGFWSAKIQCOWNB-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB Cc1nc2ccccc2n1CCC(=O)N[C@@H](C)c1ccccc1 5209163 PEXAOMHRVJFUGN-AWEZNQCLSA-N 307.397 3.612 0 40 DHAB C[C@H]1CN(C(=S)Nc2cccc3ccccc23)C[C@H](C)O1 6481346 LJLLROVKLGDIEZ-STQMWFEESA-N 300.427 3.646 0 40 DHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccc(F)cc1 6881816 CJWQJLLZWQHCEF-UHFFFAOYSA-N 323.799 3.570 0 40 DHAB COc1cccc(NC(=O)CSCc2ccc(C)cc2)c1 7094464 XCBQSUHLOFHGDL-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccnc1Cl 7360377 UMXIZIIXKFQQKD-GFCCVEGCSA-N 315.804 3.515 0 40 DHAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1C 8011749 WAMLJPZRPWAVNP-UHFFFAOYSA-N 322.452 3.829 0 40 DHAB Cc1ccc2c(CC(=O)NOCc3ccccc3)coc2c1C 8096910 WYAAUOPIIMQAPI-UHFFFAOYSA-N 309.365 3.840 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)N(C)c3ccccc3)cc2)n1 8491362 KLLJBBVQTRFXRX-UHFFFAOYSA-N 305.381 3.766 0 40 DHAB Cc1cc(-c2ccccc2)nc2[nH]n(-c3ccccc3)c(=O)c12 8670990 LGLBZFYGSWAORO-UHFFFAOYSA-N 301.349 3.689 0 40 DHAB Cc1c(C(=O)N2CCc3ccccc32)[nH]c2c1C(=O)CC(C)(C)C2 9500457 IPHGEDVMMWJJGU-UHFFFAOYSA-N 322.408 3.681 0 40 DHAB O=C(/C=C/c1ccco1)Nc1c2c(nn1-c1ccccc1)CCC2 22087949 RVNFRIKINQQKGE-VAWYXSNFSA-N 319.364 3.606 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)cc1Cl 22534201 KLCBEYRFOQXLCV-NBVRZTHBSA-N 309.196 3.793 0 40 DHAB CCc1c(C(=O)N2CCC(C)CC2)cnn1-c1ccc(C)cc1 23108356 YMWZNSKEHWTTCM-UHFFFAOYSA-N 311.429 3.615 0 40 DHAB CCCOc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 23646748 XSDCHDFYZOHHDM-QGZVFWFLSA-N 311.381 3.729 0 40 DHAB CSc1ncccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 24833587 MQARUBSEKCRRSB-ZJUUUORDSA-N 318.364 3.654 0 40 DHAB NC(=O)[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1 26160691 VYCBZSUYCBEZIO-FQEVSTJZSA-N 316.404 3.592 0 40 DHAB O=C(CCCc1nc2ccccc2o1)NCc1ccc(F)cc1 31817049 LHGAIXIJXXQGJU-UHFFFAOYSA-N 312.344 3.606 0 40 DHAB C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccccn1 32716666 STNRZHJAJLYHHX-GFCCVEGCSA-N 310.328 3.972 0 40 DHAB Cc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)cc1 32754834 LUMGYUYHIXCOTB-KRWDZBQOSA-N 305.381 3.849 0 40 DHAB Fc1ccc(-c2nsc3c(N4CCCCC4)ncnc23)cc1 35288803 CDSFEHNXVYAYBY-UHFFFAOYSA-N 314.389 3.883 0 40 DHAB Cc1cccc(N[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 36394171 SLYYXQPVZUDZFL-BEFAXECRSA-N 308.425 3.989 0 40 DHAB FC(F)(F)c1ccc2sc(NC[C@@H]3CCCO3)nc2c1 36722672 DTJMZMVZUUEALL-VIFPVBQESA-N 302.321 3.906 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)C2=Cc3ccccc3CC2)o1 39972295 MDHGDZVGQONYAV-CYBMUJFWSA-N 317.410 3.556 0 40 DHAB O=C(NCCCOC1CCCCC1)Nc1c(F)cccc1F 40024036 VFOSYEZLPRGYEN-UHFFFAOYSA-N 312.360 3.826 0 40 DHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@H]2CCCC[C@@H]21 40034745 NYBZHMDIXBMSDM-MJGOQNOKSA-N 323.440 3.726 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)Cn2cc(C)c3ccccc32)no1 50559713 YZSDYYFYYVTJBC-GOSISDBHSA-N 323.396 3.610 0 40 DHAB Cn1c(C(=O)Nc2ccc3c(c2)OCCCO3)cc2ccccc21 54984191 CDDGTMIKZYSWRS-UHFFFAOYSA-N 322.364 3.592 0 40 DHAB Cc1ccc(NC(=O)CNCc2ccccc2Cl)c(C)c1 58160398 XYVURJIWOPNGOX-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB O=C(NCc1ccc(Oc2ccccc2)nc1)Nc1ccncc1 58200816 PCRRGWDFOJTHFW-UHFFFAOYSA-N 320.352 3.591 0 40 DHAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 60322499 AQYLZKHXIRGHDO-AWEZNQCLSA-N 322.880 3.713 0 40 DHAB Cc1ccc(C(=O)Nc2ncccc2OCc2ccncc2)cc1 65476791 WDSWZSNZMCACSK-UHFFFAOYSA-N 319.364 3.616 0 40 DHAB COCc1ccccc1CNC(=O)[C@H]1C[C@@H]1c1ccc(C)s1 65610935 BACZEWCNPAJJSA-HOTGVXAUSA-N 315.438 3.623 0 40 DHAB CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccnc1 69512341 OKPRRRNGKBYGIQ-UHFFFAOYSA-N 312.266 3.906 0 40 DHAB Cc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1 72227493 NLNQEDWLVOPSES-CABCVRRESA-N 321.207 3.717 0 40 DHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)c1ccccn1 79042842 QYJIKAATIDYKBC-WDEREUQCSA-N 322.767 3.519 0 40 DHAB COc1ccc(NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)cc1 84291677 XGGLLBHHNLRZFJ-UHFFFAOYSA-N 324.340 3.698 0 40 DHAB CC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccn2)c1 89292083 ZQQUDEBCDCAVBC-UHFFFAOYSA-N 316.788 3.899 0 40 DHAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1nccs1 92868489 MWQTYMFVUJQEFH-LBPRGKRZSA-N 319.434 3.632 0 40 DHAB O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N[C@H]1CC=CCC1 93353203 JRHDFPSOKAQKTM-VIFPVBQESA-N 306.316 3.731 0 40 DHAB COc1ccc2cc(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)ccc2c1 95634432 FHBOBYTUBMBGEJ-IAGOWNOFSA-N 312.365 3.922 0 40 DHAB CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C)n1C 96037256 UUWNDMNXQLDWBT-UHFFFAOYSA-N 311.429 3.932 0 40 DHAB CC(C)C(=O)N1CC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1 96071045 JEVHUZFRDRJSDP-SFHVURJKSA-N 320.864 3.563 0 40 DHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCn2ccnc2)o1 96433203 UQSKYLBHNJUIFC-GOEBONIOSA-N 315.417 3.565 0 40 DHAB CSCc1cccc(NC(=O)N[C@@H](C)C2CCOCC2)c1C 97016030 XDJQMSXXOJPWDC-ZDUSSCGKSA-N 322.474 3.795 0 40 DHAB C[C@H](NCc1cnc2ccccn12)c1ncc(-c2ccccc2)o1 97374528 DVFQZTFHUFLDHV-AWEZNQCLSA-N 318.380 3.840 0 40 DHAB O=C(N1CCC[C@@H](c2nccs2)C1)C1(c2ccccc2)CC1 171647350 APDXTHUVGRJFGC-CQSZACIVSA-N 312.438 3.581 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1ccc2sncc2c1 191335651 BTGMBLOSBBIKKU-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB CC(C)(C)C(=O)NCCSCc1c(F)cccc1Cl 200025335 KSQNUNOKBDRSSX-UHFFFAOYSA-N 303.830 3.875 0 40 DHAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 225653270 YJMBCBUXASQDKO-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB CC(C)N(c1ccc(N)cc1C(=O)N1CCCC[C@H]1C)C(C)C 226323547 RJUXREOHINSVPW-OAHLLOKOSA-N 317.477 3.907 0 40 DHAB Cc1cc(N)c(NC(=O)COc2ccccc2C)cc1Cl 226358799 DOUWKSSXNCLIDE-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)s1 409245377 RUORSAAWQTVHNS-MDWZMJQESA-N 318.785 3.807 0 40 DHAB COc1ccc2c(c1)CN(C(=O)NCc1cc3ccccc3o1)C2 1563585117 WVVVWMGOZIZAQU-UHFFFAOYSA-N 322.364 3.667 0 40 DHAB CC(=O)C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 258796 VIPXFWAEAQHKHN-INIZCTEOSA-N 322.813 3.834 0 40 DHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)c(C)c1 570476 ISRTYXRKIKOGRA-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB O=C(Nc1nccs1)[C@@]1(c2ccccc2)CC1(Cl)Cl 2217121 PLAFJNHPMMZWDH-LBPRGKRZSA-N 313.209 3.597 0 40 DHAB Cc1nn(C)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 2745783 XZIGNWBHIGDHKH-UHFFFAOYSA-N 317.295 3.610 0 40 DHAB CC(C)(C)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 3208709 UZVLJUYAYNMQNB-UHFFFAOYSA-N 304.371 3.523 0 40 DHAB Cc1c(Cl)cccc1NS(=O)(=O)c1c(F)cccc1F 3532628 UCPMCRKFTQBFGZ-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CCCCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O 4525402 HTOSROIQTYBIIH-UHFFFAOYSA-N 302.370 3.720 0 40 DHAB CCCCC/C(=C\c1ccccc1)[C@@H]1OC[C@H](COC(C)=O)O1 4705585 DIVBJTJVOFKRKN-FNABCDGWSA-N 318.413 3.955 0 40 DHAB COc1cccc(CNC(=O)CSc2cc(C)ccc2C)c1 5019299 DQPKSHHNFOQAKK-UHFFFAOYSA-N 315.438 3.721 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccccc1O 5078365 CYWCRBVTSJBWPL-LBPRGKRZSA-N 323.348 3.610 0 40 DHAB Cc1csc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 5101588 PZGAKALAQSOSAK-MNOVXSKESA-N 324.446 3.949 0 40 DHAB CCc1nnc(NC(=O)Cc2coc3cc(C)c(C)cc23)s1 5509173 KGAYGZXFITZQTO-UHFFFAOYSA-N 315.398 3.645 0 40 DHAB CCCCN(CCCC)C(=O)c1c[nH]c2ccccc2c1=O 5645928 HVJOVXDPOBWUIN-UHFFFAOYSA-N 300.402 3.571 0 40 DHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CCCC1 7408900 STUWBSMDQGRJIF-UHFFFAOYSA-N 316.382 3.668 0 40 DHAB Fc1ccc(NC(=S)NCCSCc2ccco2)cc1 7661327 HMNPILNWHYLHEQ-UHFFFAOYSA-N 310.419 3.639 0 40 DHAB Cc1ccc(F)cc1NC(=O)Cc1c(C)nn(CC(C)C)c1C 7950538 PGXRSGSTRRHMLS-UHFFFAOYSA-N 317.408 3.785 0 40 DHAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccnc1 8231994 QFSNHXRTGFEPGC-UHFFFAOYSA-N 308.381 3.562 0 40 DHAB COCc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 8498196 LIHXQQMMJVUDOO-UHFFFAOYSA-N 323.436 3.928 0 40 DHAB CCc1ccc2nc(NC(=O)C(=O)c3ccc(C)cc3)sc2c1 9453912 SEJMOAKCSNACND-UHFFFAOYSA-N 324.405 3.989 0 40 DHAB Cc1cc(NC(=O)N(Cc2ccccc2)Cc2ccco2)no1 10220067 IPXABAAUUUHCQR-UHFFFAOYSA-N 311.341 3.810 0 40 DHAB CSc1ncccc1C(=O)NCC1(c2ccccc2)CCC1 10221918 UVTUYLLBAXGQLI-UHFFFAOYSA-N 312.438 3.655 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1Cl 10408949 ZSTCLHYPODEPOJ-UHFFFAOYSA-N 321.735 3.779 0 40 DHAB CCCOc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 11915435 UKSWUMHFFWGMDJ-LBPRGKRZSA-N 314.385 3.841 0 40 DHAB CC[C@H](C)n1nccc1NC(=O)COc1cccc(Cl)c1 12062857 WZDAXBZUMITVLF-NSHDSACASA-N 307.781 3.525 0 40 DHAB COc1ccc(-c2nc3cnccn3c2NCc2ccco2)cc1 12113790 OKHKAGUPQILTSM-UHFFFAOYSA-N 320.352 3.610 0 40 DHAB CONC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12901865 JKCUKNVPYXRVAY-UHFFFAOYSA-N 312.756 3.846 0 40 DHAB Cc1cc(CSc2nc(/C=C/c3cccs3)n[nH]2)no1 14334952 DVULAZUUBBHLDL-SNAWJCMRSA-N 304.400 3.625 0 40 DHAB CCN(CC)[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1 14903541 FBEBHNUTRSVWEG-APHAIJBRSA-N 322.452 3.899 0 40 DHAB O=C(NCCC1=CCCCC1)[C@H]1Cc2cc(Cl)ccc2O1 15536042 JHMJQEQCWHRKBG-MRXNPFEDSA-N 305.805 3.650 0 40 DHAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl 16780025 OEZCACRFSPZUOV-SKDRFNHKSA-N 322.257 3.850 0 40 DHAB FC(F)(F)c1ccc(NC(=S)NCc2cccnc2)cc1 17032243 VVQASGWMWAYEGR-UHFFFAOYSA-N 311.332 3.587 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(N)c1 19736501 XTNRXSKZDJFLRR-OAHLLOKOSA-N 304.777 3.718 0 40 DHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1F 19736608 NJSYQCQFTIKVCT-MRXNPFEDSA-N 302.349 3.512 0 40 DHAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nncs1 21215144 RSQUMXBKGCKAPT-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB COc1cccc(-n2ccnc2S[C@H]2CCCCCC2=O)c1 26045343 XEZWKPOPLNQDDH-INIZCTEOSA-N 316.426 3.875 0 40 DHAB Cc1ccc(Cn2nc(C)c(NC(=O)c3ccncc3)c2C)cc1 27922213 IWAREUNKPAAJIY-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB Cc1noc(C)c1CN1CCC[C@@H](c2nc3ccccc3o2)C1 29825169 JSVOPBFKMDIVSQ-CQSZACIVSA-N 311.385 3.812 0 40 DHAB O=C(CCn1cnc2ccccc21)Nc1cccc2ncccc12 30020490 JKYFCCAVJWMACU-UHFFFAOYSA-N 316.364 3.613 0 40 DHAB Cc1noc(C)c1CSc1nc(N)c2c(C)c(C)sc2n1 31822358 IAOZBPPRQJXDFL-UHFFFAOYSA-N 320.443 3.787 0 40 DHAB O=C(NOCc1ccccc1)N[C@H]1CCSc2ccccc21 32795279 KTMUHUCSELSNQO-HNNXBMFYSA-N 314.410 3.655 0 40 DHAB c1coc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1 36652421 FCSIJILYWMIRHA-UHFFFAOYSA-N 308.366 3.677 0 40 DHAB CC(=O)c1cn(CC(=O)N(C)Cc2ccccc2)c2ccccc12 40288526 FRVWVJBUOYVFGI-UHFFFAOYSA-N 320.392 3.503 0 40 DHAB CC(C)(C)c1cc(Br)ccc1OC[C@@H]1CCNC1 42770458 ZUQXZXCUQOJKKV-LLVKDONJSA-N 312.251 3.735 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(SC)cc1Cl 43214385 KCMQFGOYOAKXCQ-UHFFFAOYSA-N 300.807 3.978 0 40 DHAB CC(C)(C)OC(=O)CCNCCc1ccc(Cl)cc1Cl 47218979 QCSQOVYMLKSRGG-UHFFFAOYSA-N 318.244 3.857 0 40 DHAB CCOc1ccccc1OC1CCN(C(=O)[C@H](C)CC)CC1 55623044 YMOLLWZDFAGTQE-CQSZACIVSA-N 305.418 3.501 0 40 DHAB CC(C)[C@@H]1CCCN1CCCc1nc(-c2cccs2)no1 63618681 SGMASMRYGMZMHL-ZDUSSCGKSA-N 305.447 3.851 0 40 DHAB Cc1csc([C@H]2CN(c3nc4ccccc4s3)CCO2)n1 65466139 PBXWGNDSEBNSOY-GFCCVEGCSA-N 317.439 3.639 0 40 DHAB CCn1cc(NC(=O)c2sccc2-c2ccccc2)ccc1=O 65552701 NFFWRPKTGYHDGV-UHFFFAOYSA-N 324.405 3.849 0 40 DHAB CCSc1nc2ccccc2c(=O)n1Cc1cccs1 67259483 KGYAECFMHCUSGZ-UHFFFAOYSA-N 302.424 3.618 0 40 DHAB Cc1noc(Cl)c1CC(=O)N1CCC[C@H]1c1cccc(F)c1 69491038 USYYUPXOPYHGIU-AWEZNQCLSA-N 322.767 3.682 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C 72214813 PPDBHDODHIOFBK-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB O=[S@](Cc1ccc(Br)cc1Cl)CC1CC1 95967080 DHSGDJWAOXHTKG-OAHLLOKOSA-N 307.640 3.761 0 40 DHAB CCCS(=O)(=O)Nc1cccc(NCc2ccsc2)c1C 96482798 YUQHGKXPFRUUOH-UHFFFAOYSA-N 324.471 3.820 0 40 DHAB C[C@H](Cc1ccccc1F)Nc1cccc(C[S@@](C)=O)c1 188419821 XDUFWSVMFPTERI-LRTDBIEQSA-N 305.418 3.747 0 40 DHAB NC(=O)c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 216948323 REAQDYBHBSQHCS-UHFFFAOYSA-N 302.736 3.581 0 40 DHAB COc1ccc(C2=NCc3ccccc3-n3cccc32)cc1OC 225372840 IWMGGQFQPKPBGM-UHFFFAOYSA-N 318.376 3.846 0 40 DHAB CC(=O)c1cccc(Nc2ccc(C(=O)OC(C)C)cc2N)c1 225435537 AZQGRSRHIXBBPT-UHFFFAOYSA-N 312.369 3.780 0 40 DHAB O=C(Cc1cccs1)NCc1ccnc(-c2ccsc2)c1 225754243 OBZQXFBXDBZTMY-UHFFFAOYSA-N 314.435 3.731 0 40 DHAB CCCCOc1ncc(NC(=O)[C@@](C)(CC)OCC)cc1C 225893267 MXRNXRMNTDYLLY-QGZVFWFLSA-N 308.422 3.713 0 40 DHAB COc1cc(CO)cc(CSC)c1OCc1ccccc1 226288376 XIVOXAMAASDEJW-UHFFFAOYSA-N 304.411 3.630 0 40 DHAB CCCCc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1 226324237 NGRCSSGPIIBXSU-UHFFFAOYSA-N 311.429 3.930 0 40 DHAB Cc1noc2nc3c(c(C(=O)O)c12)CC/C3=C\c1ccccc1 248015244 KIOPKCNOBRXWMZ-FMIVXFBMSA-N 306.321 3.716 0 40 DHAB Cc1ccc(C(=O)NCc2nccnc2-c2ccsc2)s1 575618415 HSOWLIZRDRCWDM-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB CC(C)c1ccc(CN2CCC[C@@]3(CCC(=O)N3C)CC2)cc1 585100059 DMNCDFGRNQTLRG-HXUWFJFHSA-N 314.473 3.787 0 40 DHAB C/C=C\C(=O)OCCCC(F)(F)C(F)(F)Br 1565662121 LFUVXFOWGRJBFL-RQOWECAXSA-N 307.081 3.509 0 40 DHAB CN(c1ccccn1)C1CCN(c2ccc3ccccc3n2)CC1 1889201428 DXSNNVQSMAVBBB-UHFFFAOYSA-N 318.424 3.735 0 40 DHAB Cc1ccc(CON=c2c(C)nc3ccccc3nc2C)cc1 141533 KXONTEZRDWBFPA-UHFFFAOYSA-N 305.381 3.588 0 40 DHAB Cc1ccnc(NC(=O)COc2ccc(Cl)cc2Cl)c1 299780 QUQCWCNMUAJZFQ-UHFFFAOYSA-N 311.168 3.714 0 40 DHAB Cc1nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2s1 479764 YJNHWKDFESFVOT-UHFFFAOYSA-N 311.410 3.923 0 40 DHAB COc1ccc2[nH]c3c(=O)n(CCC4=CCCCC4)cnc3c2c1 525694 AWRSTENKCPSIHI-UHFFFAOYSA-N 323.396 3.777 0 40 DHAB biogenic COc1cccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)c1 532289 YFDLLLYQDVWRDJ-IAGOWNOFSA-N 324.359 3.572 0 40 DHAB Cc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 800486 FAYJBRKMRCIFKX-UHFFFAOYSA-N 316.360 3.747 0 40 DHAB COC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc(C)c1C 997819 UHVVEARQIVVNGF-TUAOUCFPSA-N 307.415 3.526 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)OCCc2ccc3c(c2)OCO3)C1(C)C 1711312 XBCLVCWFHKVHDH-RHSMWYFYSA-N 316.397 3.739 0 40 DHAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl 1993667 ILYAQKWKNSPRSS-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB CC(C)CN(CC(C)C)C(=O)c1ccc(Br)o1 2771533 QWOUNWDAASWODU-UHFFFAOYSA-N 302.212 3.796 0 40 DHAB O=P(CN1CCCCC1)(N1CCCCC1)N1CCCCC1 3092770 BOGAITJEAVYFDD-UHFFFAOYSA-N 313.426 3.595 0 40 DHAB O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccccc1 3152435 WNFMWCCGPDYEPO-PTNGSMBKSA-N 310.378 3.793 0 40 DHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC=O)CC[C@H]12 4028048 YFIVNBTYXVUCHU-UXXFXACISA-N 319.489 3.505 0 40 DHAB biogenic Cc1nnsc1C(=O)Nc1ccccc1Cc1ccccc1 4584538 FURAHBLBGIETDX-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB CCCC(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1 4699577 RPPUMKCUPRHAMR-UHFFFAOYSA-N 312.369 3.686 0 40 DHAB CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 5384806 VUIVLZZNWSBZIC-HNNXBMFYSA-N 322.408 3.802 0 40 DHAB CCOC(=O)[C@H](C(=O)c1ccccc1)C1SCCCCS1 5473259 UAIAMYMZRKKLRB-ZDUSSCGKSA-N 324.467 3.635 0 40 DHAB O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCCCCCC1 6583811 RDVNDTFDPTYHQY-AZUAARDMSA-N 317.473 3.708 0 40 DHAB Cc1c(C(=O)O)ccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 6960335 UWTQABIYVHYTGX-RLFYNMQTSA-N 306.365 3.915 0 40 DHAB CCOc1ccccc1N[C@H](C(=O)NC1CC1)c1ccccc1 7370236 PFMAYPCBDNSINS-SFHVURJKSA-N 310.397 3.517 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccccn2)N1c1ccc(F)cc1 7884767 VXBXGTJNJDKMCG-SFHVURJKSA-N 319.339 3.992 0 40 DHAB CC(=O)Nc1nc(COC(=O)c2ccc(C(C)C)cc2)cs1 9313816 SXFHPQBUUMVTFD-UHFFFAOYSA-N 318.398 3.582 0 40 DHAB CC[C@@H](C)[C@@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1 9954944 KZWNJZNYNHCURL-CXAGYDPISA-N 310.397 3.554 0 40 DHAB CCOc1ccc(OCC)c(NC(=O)c2cccc(F)c2)c1 10025873 ASDIEXWZMQTPAI-UHFFFAOYSA-N 303.333 3.875 0 40 DHAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccnc1 12533493 XPFXORJWDNFZCM-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB Cc1cccc(N[C@@H](c2ccc(C)cc2C)P(=O)(O)O)c1 12536577 RZLAEUBAISLIGZ-MRXNPFEDSA-N 305.314 3.900 0 40 DHAB O=C(OCCNc1ncc(C(F)(F)F)cc1Cl)C1CCC1 12564166 TXELFVJAYWSACR-UHFFFAOYSA-N 322.714 3.509 0 40 DHAB Cc1ccc2cccc(OCC(=O)Nc3ccccc3C)c2n1 14358688 YNZOTRSXTLWSRL-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB CN(Cc1ccccc1F)C(=O)CCc1c[nH]c2ccccc12 22373470 KXQBXHIHKXTFGU-UHFFFAOYSA-N 310.372 3.898 0 40 DHAB CC(=O)N[C@H](CC(=O)N[C@@H](C)CCC(C)C)c1ccc(C)cc1 25349410 RKEHKCSRAHWVKU-MAUKXSAKSA-N 318.461 3.503 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 29145553 HAZSGCHUQQSVLN-GFCCVEGCSA-N 319.788 3.892 0 40 DHAB Cc1cccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c1 32643141 FRYNKBSQZYLMMT-UHFFFAOYSA-N 309.369 3.531 0 40 DHAB C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1 32827509 ZVOZCGSOKIYBHV-AWEZNQCLSA-N 307.397 3.763 0 40 DHAB COCCCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 36613547 QERSGICWHRTIID-UHFFFAOYSA-N 311.307 3.669 0 40 DHAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 38851079 ZDEWRDFSSSKXMH-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB Cc1noc(C)c1CS(=O)(=O)c1cc(Cl)ccc1Cl 44947316 WODSPVOUMZRCFT-UHFFFAOYSA-N 320.197 3.572 0 40 DHAB CC[C@H]1CN(Cc2nc3ccccc3c(C)c2Cl)CCO1 45752445 YZAHVUHHIIJTJN-ZDUSSCGKSA-N 304.821 3.807 0 40 DHAB FC(F)(F)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)nc2c1 49803827 JJGWOEAFWXCWAW-UHFFFAOYSA-N 306.243 3.977 0 40 DHAB COc1cc(NC(=O)Nc2ccc(C)c(C)c2)cc(OC)c1 51354138 WYKRMODDGDOASB-UHFFFAOYSA-N 300.358 3.965 0 40 DHAB Cc1ccc(C[S@](=O)CCCOc2ccc(F)cc2)cc1 58203480 APOKDIQLRPSSJR-NRFANRHFSA-N 306.402 3.852 0 40 DHAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(N(C)C)c(F)c1 58283207 VWLMVOAEWZTBKG-UHFFFAOYSA-N 318.396 3.538 0 40 DHAB CC(C)(C)c1cc(C[C@@H]2C[C@H](NC3CCOCC3)C2(C)C)no1 67889821 SGNZICWAHOORJV-CJNGLKHVSA-N 320.477 3.698 0 40 DHAB biogenic,in-vitro CCCNC(=O)[C@H](C)SCc1cccc(Br)c1 69383839 XZSIYOSMBGCCAQ-JTQLQIEISA-N 316.264 3.597 0 40 DHAB O=C(NC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CC=CCC1 69390391 VGBDPMZVZRQDRK-AWEZNQCLSA-N 319.832 3.818 0 40 DHAB FC(F)(F)C(Br)(Br)C(F)(F)F 71617299 VCRVQFFAKUROKA-UHFFFAOYSA-N 309.829 3.597 0 40 DHAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1Cl 72211537 GRQTWBRFUKGVCT-UHFFFAOYSA-N 312.797 3.613 0 40 DHAB CCc1csc([C@@H]2CCCN(C(=O)c3occc3C)C2)n1 72282154 RCDOLHZIQAPNFJ-GFCCVEGCSA-N 304.415 3.627 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cc1OC 74895211 OKMIKFKVOVQWBQ-UHFFFAOYSA-N 324.380 3.756 0 40 DHAB CS[C@@H]1CCC[C@H]1N(C)C(=O)Nc1c(C)nn(C(C)C)c1C 78937544 IIYFGUWBSMFVLW-ZIAGYGMSSA-N 324.494 3.829 0 40 DHAB CC(C)c1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)nn1C 81854795 YDWFLNVDPWZNFT-MRXNPFEDSA-N 303.450 3.728 0 40 DHAB Cc1nc(S)sc1CC(=O)N(C)[C@H](C)c1cccs1 84064558 NVOZCMBJQWSYJM-SECBINFHSA-N 312.485 3.564 0 40 DHAB CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@H](C)C(C)C)s1 86428810 WICNICMXXIERSK-NWDGAFQWSA-N 309.479 3.985 0 40 DHAB C[C@@H](NCc1ccncc1)c1ccc(OCC2CC2)c(F)c1 89904723 BVQNEPSORXVCSO-CYBMUJFWSA-N 300.377 3.860 0 40 DHAB COc1cc([C@@H](C)N[C@@H](C)C2CCOCC2)ccc1OC(C)C 95419742 GAMVHCYTLYWFPN-LSDHHAIUSA-N 321.461 3.948 0 40 DHAB Cc1cccc(C2(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)CCCC2)c1 95451516 ZGDJAIGVFHYRGS-JKSUJKDBSA-N 313.441 3.886 0 40 DHAB Brc1cccc(CN(CC2=CCCOC2)C2CC2)c1 95982487 SUYHRSYMCHZTFC-UHFFFAOYSA-N 322.246 3.760 0 40 DHAB C[C@H]1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@@H]2O1 96045971 LCVJGQWAVQGINB-WBIUFABUSA-N 319.788 3.726 0 40 DHAB C/C(=C\C(=O)Nc1cc(C)nn1C)C12CC3CC(CC(C3)C1)C2 96291620 FOQOTMUWZSWLOP-UUILKARUSA-N 313.445 3.830 0 40 DHAB COc1ccccc1NC1CCN(c2nc(C)cs2)CC1 97037005 OWTXIBAEOPIERW-UHFFFAOYSA-N 303.431 3.541 0 40 DHAB CC[C@@H]1C[C@@H](C(=O)Nc2c(F)cccc2NC2CC2)CCO1 97059595 SDNFRTNUCBDZIX-WCQYABFASA-N 306.381 3.544 0 40 DHAB O=S(=O)(c1ccccc1)[C@@H]1C[C@@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2 104292464 KESSVIVBPRHJMV-XYTFPVCRSA-N 300.423 3.595 0 40 DHAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)O[C@]3(C)CC[C@@H]21 104308221 INHMMEWBTMZXLR-LSTDLKDCSA-N 300.398 3.847 0 40 DHAB C[C@@H](CC(=O)N[C@H](C)CC[C@@H]1CCCO1)c1cccc(F)c1 106854398 BOWSPBAZGSWPON-VBQJREDUSA-N 307.409 3.783 0 40 DHAB CCN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCOCC1 192491808 HDHULAORCDYPIR-UHFFFAOYSA-N 323.436 3.784 0 40 DHAB C[C@H](CNC(=O)CSCc1ccc(F)cc1)c1ccccc1 224379073 KWHXRHDMHIGYKL-CQSZACIVSA-N 317.429 3.979 0 40 DHAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3)o2)c1 224844006 WVSQBLUVAZKGNG-UHFFFAOYSA-N 322.364 3.922 0 40 DHAB CC[C@@H](NC(=S)Nc1cccc(C)n1)c1ccc(OC)cc1 225490946 LHWLXYGAKDRKJY-OAHLLOKOSA-N 315.442 3.836 0 40 DHAB Fc1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225855170 IXOYFOXOMYXBAG-UHFFFAOYSA-N 315.417 3.977 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@@H](O)CNC1CCCC1)C2 226625194 ZBNAUCQADSOPHS-RUENVJTFSA-N 309.494 3.501 0 40 DHAB FC(F)(F)c1cc(N2CCC(N3CCCCC3)CC2)ccn1 285963078 AOUUQFPUQNWTFM-UHFFFAOYSA-N 313.367 3.555 0 40 DHAB Cc1noc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)n1 297001556 YZCWMXICCYTXDO-CQSZACIVSA-N 300.362 3.527 0 40 DHAB Cc1cccc(-c2cnc3n2CCN(C(=O)c2cccs2)C3)c1 306142298 WVQHWSAQEGMFTR-UHFFFAOYSA-N 323.421 3.576 0 40 DHAB F[C@]1(c2cccc(Cl)c2)CCN(c2ncnc3[nH]ccc23)C1 509524143 DFCQPOMDTVBVKM-MRXNPFEDSA-N 316.767 3.686 0 40 DHAB CCOC(=O)c1cc(C)n2ncc(-c3cccc(Cl)c3)c2n1 575423322 STLUEPULAWSZBP-UHFFFAOYSA-N 315.760 3.535 0 40 DHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccco1 585147964 KPQYKEXLSCGTRS-SNVBAGLBSA-N 319.407 3.533 0 40 DHAB CCc1ccc(N2C[C@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 45002 FOLNCPMAIZWJRE-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB Cc1cccc2sc(NS(=O)(=O)c3ccc(F)cc3)nc12 363337 JXXFXIDSSIZQFO-UHFFFAOYSA-N 322.386 3.545 0 40 DHAB Cc1cccc(-n2ncc3c(N4CCCCCC4)ncnc32)c1 544524 GYWCGDHILPYRFO-UHFFFAOYSA-N 307.401 3.504 0 40 DHAB COc1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 1361995 HKNTWENMGQQSMN-UHFFFAOYSA-N 309.409 3.823 0 40 DHAB O=S1(=O)C=C(SCc2ccccc2)Nc2ccccc21 1406122 LLKHKFXJLZDESS-UHFFFAOYSA-N 303.408 3.618 0 40 DHAB CCCC(=O)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl 2702036 VZJWACOWBNKNJK-LLVKDONJSA-N 310.608 3.678 0 40 DHAB Cc1cccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)c1 4062596 KBDAHZWWGMBBPV-UHFFFAOYSA-N 306.365 3.617 0 40 DHAB COc1ccc(/C=C\c2ccc3ccccc3[n+]2C)cc1OC 4582337 IZIPTBVOQVGYLK-FLIBITNWSA-N 306.385 3.852 0 40 DHAB O=C(O)c1ccc(CNCc2cccc(Cl)c2Cl)cc1 4657685 ZXVVQBZSLFYLFH-UHFFFAOYSA-N 310.180 3.981 0 40 DHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1 5440531 RGELYPPJZIOJJJ-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB COC(=O)c1ccc(Cl)cc1NC(=S)Nc1ccccc1 5611461 XCZOZQBBIYTNAV-UHFFFAOYSA-N 320.801 3.936 0 40 DHAB CC(=O)Nc1ccc(SCCOc2ccccc2F)cc1 6514746 YALZGDBUVMHWRZ-UHFFFAOYSA-N 305.374 3.955 0 40 DHAB CN(C)Cc1ccc(CNCc2ccccc2OC(F)F)cc1 7736215 XRXKIDPDGBZSDN-UHFFFAOYSA-N 320.383 3.639 0 40 DHAB O=C(Nc1ccc(Cl)cc1)N1CCn2c1nc1ccccc12 8704172 AAHQWAYHNFAMAT-UHFFFAOYSA-N 312.760 3.742 0 40 DHAB COc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 10037288 QSJGYOQTEHNFHF-UHFFFAOYSA-N 313.382 3.627 0 40 DHAB O=C(CCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 10744377 PQHIVIMPNDWETE-UHFFFAOYSA-N 303.745 3.640 0 40 DHAB Cc1cccc(-n2ncc(C(=O)N(C)Cc3ccc(C)o3)c2C)c1 13003242 MKWHSDSBQFSTRH-UHFFFAOYSA-N 323.396 3.663 0 40 DHAB CCCOc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1 15966986 SSOGQHXQMRLOOS-AWEZNQCLSA-N 313.397 3.975 0 40 DHAB CCOc1cc(C=O)cc(Br)c1OCC(C)C 16688354 CQTSLNSBHCGMPW-UHFFFAOYSA-N 301.180 3.695 0 40 DHAB CCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 17367812 ABCRLFIUPHPFOU-UHFFFAOYSA-N 322.408 3.567 0 40 DHAB COc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 20538190 KAJOFBBOIPKFNT-LLVKDONJSA-N 318.348 3.726 0 40 DHAB CCc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1 22255075 NKAHTVPWSGDTLI-UHFFFAOYSA-N 318.423 3.660 0 40 DHAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(C)s2)c1 25287586 SWBGCDFCQQYGLO-UHFFFAOYSA-N 312.398 3.587 0 40 DHAB Cc1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 26701436 IQQSKSWMYFLFTQ-UHFFFAOYSA-N 302.280 3.902 0 40 DHAB COc1ccc(OC)c(NC(=O)c2ccc(-n3cccc3)cc2)c1 30057446 JINRSGBHMAXDHJ-UHFFFAOYSA-N 322.364 3.747 0 40 DHAB O=C(NCCc1csc(-c2cccnc2)n1)Nc1ccccc1 31773222 BOOMVMFVWJGERT-UHFFFAOYSA-N 324.409 3.569 0 40 DHAB CN(C)c1ccccc1NC(=O)Cc1coc(-c2ccccc2)n1 33123104 ILJXEKGBSDIRGE-UHFFFAOYSA-N 321.380 3.589 0 40 DHAB O=C(Nc1ccccc1Cn1cccn1)c1cccc(Cl)c1 36398332 YQAMXIVQRJNILZ-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB O=C1c2ccccc2[C@@](O)(c2ccccc2)N1Cc1ccccc1 39436850 NYERHQCGKCBJPV-NRFANRHFSA-N 315.372 3.536 0 40 DHAB CCN(CC)C(=O)Cc1cccc(-c2nc3ccccc3o2)c1 41127625 OEAXKYTVJYZRDT-UHFFFAOYSA-N 308.381 3.906 0 40 DHAB CCOc1cccc(CNC(=S)Nc2ccc(OC)cc2)c1 44155742 UEIUNYTZZBFOFM-UHFFFAOYSA-N 316.426 3.581 0 40 DHAB CCOC(=O)c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2s1 46445965 MZUSERNFBIVZTK-JOYOIKCWSA-N 303.383 3.673 0 40 DHAB COc1ccc(C(=O)NCc2cccnc2)cc1-c1ccccc1 50256523 XSXZJPIVKSZBRX-UHFFFAOYSA-N 318.376 3.687 0 40 DHAB c1ccc(-n2cccn2)c(NCc2nc(-c3ccsc3)no2)c1 55850993 YSTIFIZVARHAOE-UHFFFAOYSA-N 323.381 3.596 0 40 DHAB O=C(NCc1ccc(F)cc1F)c1cc2c(s1)CCCC2 57416263 HPPHOLKFHUPXJN-UHFFFAOYSA-N 307.365 3.835 0 40 DHAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cscn1 64896768 NKKGGFQYIYXAFG-ZZXKWVIFSA-N 312.847 3.920 0 40 DHAB C[C@H](OC(=O)c1cnn(Cc2ccccc2Cl)c1)C1CC1 70018916 WQOLYERZHAEBSI-NSHDSACASA-N 304.777 3.540 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)Cn1ccc(=O)c2sccc21 71922094 MQTDXXVHSDVTGO-UHFFFAOYSA-N 322.389 3.736 0 40 DHAB OCC1(c2cc(-c3ccc(Br)cc3)on2)CCC1 72220660 QPKQSSYVXOAZJH-UHFFFAOYSA-N 308.175 3.518 0 40 DHAB Cc1noc(Cl)c1CC(=O)N[C@@H](c1ccc(F)cc1)C1CC1 78712960 PGOJPLFVTXCCIS-OAHLLOKOSA-N 322.767 3.586 0 40 DHAB Cc1ccc(CCC(=O)N(C)c2ccc(-c3ccccc3)nn2)o1 84195359 KBRJQXKYTJKFJZ-UHFFFAOYSA-N 321.380 3.641 0 40 DHAB CC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 90636339 OGRMZMLEIGRKOH-UHFFFAOYSA-N 314.179 3.999 0 40 DHAB COc1ccc([C@H](C)N[C@H](C)c2cccc(-n3cncn3)c2)cc1 95423554 SVUWTKHIJQWCLK-LSDHHAIUSA-N 322.412 3.688 0 40 DHAB COc1ccc([C@H](C)N[C@H]2CCc3c(O)cccc32)c(F)c1 95967727 IXUMBGROLHWLPR-GTNSWQLSSA-N 301.361 3.878 0 40 DHAB Cc1nc(CSc2nnc(CCc3ccccc3)o2)cs1 96430415 GDXWQLWBXUJXCO-UHFFFAOYSA-N 317.439 3.912 0 40 DHAB CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2COC)C1 96432337 QJBIQXSEAKAQPA-CABCVRRESA-N 307.459 3.579 0 40 DHAB Cc1ccccc1CNc1ccccc1NC(=O)Cc1ccn[nH]1 97083328 ICPJMFNFFFXLHM-UHFFFAOYSA-N 320.396 3.511 0 40 DHAB CSc1nc2n(n1)[C@H](c1ccccc1)C1=C(O)CCCC1=N2 102668311 SVFMNLRVEMCLLI-CQSZACIVSA-N 312.398 3.672 0 40 DHAB Cc1cc(Br)ccc1-c1ccc(/C=C\C(N)=O)o1 208754234 UHRWDIOPEUISND-DAXSKMNVSA-N 306.159 3.516 0 40 DHAB CCOc1cccc(CNC(=S)Nc2c(F)cccc2F)c1 225439596 YDNONTWTJVLMKE-UHFFFAOYSA-N 322.380 3.850 0 40 DHAB O=C(NCc1ccc(Oc2nccs2)cc1)NC1CCCC1 225647876 KHOLNIGBNAKLKQ-UHFFFAOYSA-N 317.414 3.677 0 40 DHAB CNC(=S)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccs1 226784323 MNCUYMSZXZZBSX-ZDUSSCGKSA-N 319.430 3.543 0 40 DHAB Cc1csc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)n1 227166008 RVNDQRHYGJLMOV-LBPRGKRZSA-N 312.398 3.515 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1ccnc(OCC2CC2)c1 253400902 MDSRYSUGVSSTMK-SFHVURJKSA-N 322.408 3.678 0 40 DHAB COc1ccc2[nH]c(CN3CCC[C@H](c4nc(C)c[nH]4)C3)cc2c1 257207745 BJBCZLMOALORBA-AWEZNQCLSA-N 324.428 3.588 0 40 DHAB Cc1ccc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)nc1 257312828 UPSUDWOPMKECOT-FQEVSTJZSA-N 319.408 3.512 0 40 DHAB C[C@@H]1CN1P(=O)(Oc1ccc2ccccc2c1)N1C[C@H]1C 299814201 ZGGMATWNKPRVSC-RMYDXBPQSA-N 302.314 3.735 0 40 DHAB CC(C)(C)OC(=O)N1C[C@@H](c2cccc(Cl)c2)CCC1=O 575436644 MYUQIWAXSPYUGN-LBPRGKRZSA-N 309.793 3.981 0 40 DHAB CNC1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 601032732 PDWWZXXRSUFEBM-UHFFFAOYSA-N 315.244 3.646 0 40 DHAB in-vitro Cc1cccnc1CN1CCC(c2cc(C(F)(F)F)n[nH]2)CC1 2037956985 NEUGKHSUAZLKPE-UHFFFAOYSA-N 324.350 3.512 0 40 DHAB Fc1cc(F)c2nc(N3CC[C@@H](c4ccccn4)C3)sc2c1 2298086657 QDKNVLQVJRBELA-SNVBAGLBSA-N 317.364 3.963 0 40 DHAB CCC(C)(C)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 74090 QUDSJQLZTHNDQO-UHFFFAOYSA-N 319.430 3.512 0 40 DHAB CCn1c(SCC(=O)O)nc2cc(Cl)c(Cl)cc21 121284 GVSHJAURDPBWQE-UHFFFAOYSA-N 305.186 3.540 0 40 DHAB COc1ccc(CC(=O)Nc2cccc(Cl)c2C)cc1OC 909979 LLCCSWPYVQGZAI-UHFFFAOYSA-N 319.788 3.847 0 40 DHAB Cc1nnsc1NC(=O)OCc1ccc(C(F)(F)F)cc1 1392283 XAAIVBDWZDVLQB-UHFFFAOYSA-N 317.292 3.614 0 40 DHAB S=c1nc(S)nc(Oc2ccc(Cl)c(Cl)c2)[nH]1 1624646 IUUDWMJJBJLTDS-UHFFFAOYSA-N 306.199 3.922 0 40 DHAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1 1934043 PORBCTAZHRKLFS-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB CCc1ccc(NC(=O)CN(C)Cc2ccccc2Cl)cc1 3491718 URQFYOBHDLADFR-UHFFFAOYSA-N 316.832 3.973 0 40 DHAB C[C@@H](CNC(=O)c1cccs1)OC12CC3CC(CC(C3)C1)C2 4687153 KNNSDCYETZWAMV-IHWZXDPASA-N 319.470 3.852 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 4731392 LFRYJNCJPONBJN-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB COc1ccc(NC(=O)Nc2c[nH]c3ccccc23)c(OC)c1 5299975 LQPZQPYOYYWZKO-UHFFFAOYSA-N 311.341 3.829 0 40 DHAB Fc1ccc(-n2c(S)nnc2-c2ccc3ccccc3n2)cc1 5927644 UFHVZZVQTXWEMG-UHFFFAOYSA-N 322.368 3.910 0 40 DHAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccccc1 6790788 UWSIUYZLXOOPBV-UHFFFAOYSA-N 310.397 3.613 0 40 DHAB COc1ccc(C2=NO[C@]3(C2)N(C)c2ccccc2C3(C)C)cc1 6962159 HACSKTSDWBTXLT-FQEVSTJZSA-N 322.408 3.944 0 40 DHAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)N3CCCCCC3)nc2c1 7061214 JBBYSWPZBSPVFE-ZDUSSCGKSA-N 317.458 3.755 0 40 DHAB CNc1nnc(SCc2ncc(-c3ccccc3)o2)s1 7102423 AHFBYRZTJPDAFA-UHFFFAOYSA-N 304.400 3.527 0 40 DHAB Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 7929325 CSCNLMZEFWPXMT-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB COCCN(Cc1cccs1)C(=O)Nc1cccc(C)c1 8767739 WKLREIYULADZLE-UHFFFAOYSA-N 304.415 3.737 0 40 DHAB CC(=O)c1cc(CCC(=O)Nc2ccc(C)c(F)c2)oc1C 9077048 YKKRPWXODWOBNL-UHFFFAOYSA-N 303.333 3.809 0 40 DHAB Fc1cccc(-c2nn3c(CCc4ccccc4)nnc3s2)c1 10311866 NUFVJUIYVZTEAW-UHFFFAOYSA-N 324.384 3.777 0 40 DHAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)c(Cl)c1 10407548 VJXVHFCWYRPOHN-UHFFFAOYSA-N 317.772 3.948 0 40 DHAB COc1ccc2cc(CNc3c(C)cccc3C)c(=O)[nH]c2c1 12493308 UNMQEWJNMQNJAG-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB O=C(Nc1ncccc1O)c1ccc(SC(F)(F)F)cc1 12522479 ZHIUOYAOMYNRRF-UHFFFAOYSA-N 314.288 3.651 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)cc1 12527383 BYNUYEAZDNMUFX-UHFFFAOYSA-N 312.388 3.997 0 40 DHAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1C 12905738 USSSVXRFARGYRG-UHFFFAOYSA-N 320.751 3.998 0 40 DHAB CCc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)cc1 13132139 LZSJKABBTONJNC-SJORKVTESA-N 319.412 3.569 0 40 DHAB Oc1nc2c(Br)ccc(Br)c2s1 14985062 PXABWIKRYLPHSX-UHFFFAOYSA-N 308.982 3.527 0 40 DHAB COc1ccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)cc1 15838748 KZRLGUCOSPOUAR-UHFFFAOYSA-N 323.348 3.632 0 40 DHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)[C@H](C)c1ccccc1 16695615 YWJIWBAFVQFGHK-KGLIPLIRSA-N 307.397 3.677 0 40 DHAB O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1ccncc1 18173865 LCULWKALSSACLW-GOSISDBHSA-N 303.365 3.993 0 40 DHAB Cc1ccc(-c2cc([C@@H]3CCN(C(=O)CC(C)C)C3)[nH]n2)cc1 19212072 JOACQPVJLDISMP-MRXNPFEDSA-N 311.429 3.747 0 40 DHAB COCCCNc1nnc(-c2ccccc2)c(-c2ccccc2)n1 19593328 UPBRLQQWZFOAHU-UHFFFAOYSA-N 320.396 3.654 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)C1(c2ccc(F)cc2)CC1 21695734 DUPLTPDZPBBKIT-UHFFFAOYSA-N 322.383 3.698 0 40 DHAB COc1cccc(C(=O)Nc2cnc3ccccc3c2)c1OC 25530588 YNUZYPLADNYQFN-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB O=C(NCc1cccc(CN2CCCC2)c1)Nc1ccccc1 31664294 QVEMBGIXEOQRLU-UHFFFAOYSA-N 309.413 3.604 0 40 DHAB C[C@H](OCC(F)(F)F)C(=O)N[C@H](C)c1cc2ccccc2o1 31705834 QESXKBVIOLIDSQ-ZJUUUORDSA-N 315.291 3.577 0 40 DHAB Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1 32633401 KBIZGIYGLLJJED-UHFFFAOYSA-N 324.405 3.910 0 40 DHAB O=C(CC[C@@H]1CCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1 32818000 VZPNFGOYLHKMFJ-INIZCTEOSA-N 324.424 3.743 0 40 DHAB CCCNc1nc(-c2cn(CC)nc2C)cc(C(F)(F)F)n1 36618619 COMWNLOSHHXUOO-UHFFFAOYSA-N 313.327 3.509 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCOc2ccccc21 36763832 BQIYJDYMEVQPTK-GFCCVEGCSA-N 317.772 3.533 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccccc1C)c1ccccc1 38753788 BDQUPWRNFZQQTO-KRWDZBQOSA-N 303.427 3.566 0 40 DHAB Cc1cc2occ(CC(=O)Oc3cccnc3)c2cc1Cl 39892872 PEKQPTJMPJHQBR-UHFFFAOYSA-N 301.729 3.938 0 40 DHAB CC(C)Oc1ncccc1CNC(=O)c1ccc(F)cc1Cl 40121375 LKILQSKCWUXQTG-UHFFFAOYSA-N 322.767 3.591 0 40 DHAB CCOC(=O)c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ccc2s1 46445969 MZUSERNFBIVZTK-BXKDBHETSA-N 303.383 3.673 0 40 DHAB CC(C)(C)c1nc(CN2CCC[C@@H]2CCc2ccccc2)no1 52106116 HNRVVLJGEPRWRH-MRXNPFEDSA-N 313.445 3.964 0 40 DHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1noc(C(C)(C)C)n1 53264939 LVAXIFFBINMOGL-GFCCVEGCSA-N 324.428 3.968 0 40 DHAB O=C(N[C@H](c1ccc(Cl)cc1)c1ccsc1)[C@H]1CCCO1 57084118 FQLWAXCIOPKOJT-HUUCEWRRSA-N 321.829 3.786 0 40 DHAB Clc1cc(CN2CCCN(Cc3cccs3)CC2)ccn1 58151201 XAEDQDYMIUECPB-UHFFFAOYSA-N 321.877 3.504 0 40 DHAB COc1cc(OC)c2nccc(Nc3ccc(C(=O)O)cc3)c2c1 78401523 QJZSFKNAMKWFOP-UHFFFAOYSA-N 324.336 3.694 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)c1 78542942 YRAXGDHGQCSCKB-FRFSOERESA-N 320.433 3.577 0 40 DHAB CCC1=NO[C@H](c2nc3sc(C(C)(C)C)cc3c(=O)[nH]2)C1 84735414 SYHKFDYTUBHXSW-JTQLQIEISA-N 305.403 3.510 0 40 DHAB COC(=O)CC1(NC[C@@H](C)c2ccc(OC)cc2)CCCCC1 95463718 DOGQGAJCKQCJQW-OAHLLOKOSA-N 319.445 3.654 0 40 DHAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)N1c1ccccc1 96056618 NVUCVMYGGGMDFM-RTBURBONSA-N 324.399 3.596 0 40 DHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2ccncc2)o1 96433159 UESZHJKLQSQZGC-WMLDXEAASA-N 312.413 3.915 0 40 DHAB O=C(O)[C@H]1CC[C@@H](C(=O)c2ccc(Br)cc2)CC1 100449872 IWFBIELJDOHRIX-HOMQSWHASA-N 311.175 3.523 0 40 DHAB C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(OC(F)F)c1 109034113 CZNYGZVUIOTWQF-REJLFOLJSA-N 309.356 3.901 0 40 DHAB C[C@H]1CCN(C(=O)CN(C)c2ccccc2)[C@@H]2CCCC[C@@H]12 195529397 ZZYOEGPAVVOFKS-RYQLBKOJSA-N 300.446 3.550 0 40 DHAB CC(C)Oc1ccccc1C(=O)NCCSCc1ccco1 219733881 XGKZNSKGIAYGEI-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB Cc1ncsc1C(=O)NCc1cccnc1-c1ccsc1 225648134 ZQRSRNVFQDTGLS-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 227157202 FVHBBOKOUWRXOC-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260760916 CFGSKLFXCUVBPS-ZOBUZTSGSA-N 301.430 3.802 0 40 DHAB CCC(CC)NC(=O)[C@H]1CCc2[nH]nc(-c3ccsc3)c2C1 306126107 DNAUWDKQMPGSRJ-NSHDSACASA-N 317.458 3.548 0 40 DHAB O=C(Cc1ccc(Br)cc1)N1CCc2ccccc21 31798 NKPKSIDIFJBFFH-UHFFFAOYSA-N 316.198 3.581 0 40 DHAB CC1(C)[C@]2(C(=O)Nc3cccc4ccccc34)CC[C@@]1(C)C(=O)O2 308515 LDXKDZPUJVLPHZ-VQTJNVASSA-N 323.392 3.900 0 40 DHAB Cc1cc(OCc2ccc(C(=O)n3cccn3)o2)ccc1Cl 370969 AYKRBHXROXLXNS-UHFFFAOYSA-N 316.744 3.705 0 40 DHAB aggregator O=C(NCc1ccc(F)cc1)[C@H]1Cc2c(ccc3ccccc23)O1 1394664 QPASTQXLZVQEKX-LJQANCHMSA-N 321.351 3.599 0 40 DHAB CCCCOC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 1770684 TZLJZTIRZVAMLP-UHFFFAOYSA-N 311.403 3.762 0 40 DHAB O=C(c1ccc(Cl)cc1F)c1ccccc1CN1CCC1 2515632 IALVUBJBDZHODZ-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB CC(C)C(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 2733984 UBJHLDWLWPIFMO-AWEZNQCLSA-N 310.397 3.772 0 40 DHAB CCCCS(=O)(=O)Nc1ccccc1Cc1ccccc1 3331927 XIIJOKHGTOADRW-UHFFFAOYSA-N 303.427 3.819 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2c(F)cccc2Cl)c1C 3412239 HREXTGNGPHDOHT-UHFFFAOYSA-N 323.751 3.984 0 40 DHAB Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)cc1C 4224445 XRBNOGKTJOGFJP-UHFFFAOYSA-N 315.442 3.830 0 40 DHAB Fc1ccc(-c2nnc3sc(Cc4ccccc4)nn23)cc1 4664951 ICAJKXBWJHTRCK-UHFFFAOYSA-N 310.357 3.583 0 40 DHAB COc1ccccc1C12c3ccccc3C1(O)c1ccccc12 4692310 ADFTVSVWDCXJAZ-UHFFFAOYSA-N 300.357 3.593 0 40 DHAB Oc1ccc(C(c2ccccc2)c2ccc(O)cc2O)c(O)c1 4783167 JWCUSSPCBUCTNW-UHFFFAOYSA-N 308.333 3.689 0 40 DHAB COc1ccc2c(c1)CCC1=C2C[C@@H]2C(=O)[C@@]1(C)CC[C@@]2(C)O 4887308 CZAMTIBNIPMBOZ-YZGWKJHDSA-N 312.409 3.535 0 40 DHAB CCc1nc2ccccc2n1C[C@@H](O)COc1c(C)cccc1C 5386512 URLWDJWMQGWYES-MRXNPFEDSA-N 324.424 3.655 0 40 DHAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(F)cc1F 5425623 FPHBQMPJALQZGY-AWEZNQCLSA-N 305.349 3.932 0 40 DHAB Cc1occc1-c1nnc(SC[C@H]2CC2(Cl)Cl)n1C 7217260 KVZUCTHIIVNZRE-MRVPVSSYSA-N 318.229 3.669 0 40 DHAB CCOc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1 7614601 UGOXOFGYMMLNBT-UHFFFAOYSA-N 316.426 3.602 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2cn(C)c3ccccc23)s1 7703547 ZKSZUUPFMIPNIR-UHFFFAOYSA-N 313.378 3.588 0 40 DHAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 8086386 LNJATJFLSAAGCR-DGCLKSJQSA-N 300.427 3.658 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)c2ccco2)cc1 9952757 OEJBOSAEESWXMH-UHFFFAOYSA-N 324.311 3.923 0 40 DHAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2)c1 10225815 POOWRQFXFLXTAN-IBGZPJMESA-N 324.424 3.779 0 40 DHAB COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2cccnc2)cc1 12222600 AWCDBPOHAKXSBK-UWVAXJGDSA-N 324.424 3.522 0 40 DHAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)NCc1cccs1 12900276 BGRGOKOVTSEWIK-VXGBXAGGSA-N 322.861 3.757 0 40 DHAB CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 13713564 OKOUTDOIXXWBLD-UHFFFAOYSA-N 312.413 3.518 0 40 DHAB Cc1ccc(OCCC(=O)Nc2cccc3cccnc23)cc1 14136684 OGIDIXGTXKPZPI-UHFFFAOYSA-N 306.365 3.951 0 40 DHAB Cc1cc(OCC(=O)Nc2nc3c(s2)CCC3)ccc1Cl 15636536 MFGSRFOCVWPTJQ-UHFFFAOYSA-N 322.817 3.611 0 40 DHAB Cc1cc(C)cc(-c2nn3c(=O)c4ccccc4nc3s2)c1 17031563 HEDKQSPFGHUQKC-UHFFFAOYSA-N 307.378 3.588 0 40 DHAB Cc1ccc(-c2c[n+](Cc3ccc(F)cc3)c3n2CCC3)cc1 17249601 MUZMIEFUIMOAHA-UHFFFAOYSA-N 307.392 3.885 0 40 DHAB N#CN1CCN([C@@H]2Cc3ccccc3Sc3ccccc32)CC1 19801881 QUPNPTYWRZZGPC-QGZVFWFLSA-N 321.449 3.534 0 40 DHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20110195 SWIHACTUPFSQKP-CQSZACIVSA-N 319.426 3.946 0 40 DHAB COc1ccc2c(ccn2CC(=O)N[C@@H](C)CCCC(C)C)c1 20761626 ZVEUYBGDMMBBJZ-HNNXBMFYSA-N 316.445 3.981 0 40 DHAB biogenic O=C(Nc1ccccc1N1CCCC1=O)c1ccccc1Cl 21600005 GEVPRDUZICQMBK-UHFFFAOYSA-N 314.772 3.719 0 40 DHAB O=C(NCCc1ccccn1)c1ccccc1Oc1ccccc1 21773798 DPJXXIXPXZHBDS-UHFFFAOYSA-N 318.376 3.846 0 40 DHAB C[C@H](Sc1nc2ccc(Cl)cc2o1)C(=O)N1CCCC1 22301653 NSAWIXRLIFHAFJ-VIFPVBQESA-N 310.806 3.584 0 40 DHAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1noc2ncccc12 23128129 ANURHQAFQNWLIR-UHFFFAOYSA-N 311.385 3.768 0 40 DHAB Fc1ccc(-c2nc(CN3CCOc4ccccc43)co2)cc1 40086137 CWVBEZAOQVHYTK-UHFFFAOYSA-N 310.328 3.880 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1N(C)c1ccccc1)n1cccn1 40114546 XDOLZAVRSIPJPK-HNNXBMFYSA-N 320.396 3.851 0 40 DHAB COc1ccc(C)cc1[C@@H](O)c1ccccc1Br 40264084 XRKYXUNQVWCKIV-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB CNC(=O)c1cc2sccc2n1Cc1ccccc1Cl 40266972 GLUAAGUCXJHKLT-UHFFFAOYSA-N 304.802 3.764 0 40 DHAB CCCCCOc1ccc(S(=O)(=O)N(C)C)cc1C(C)C 41105608 BWWMHAQRBUIKKP-UHFFFAOYSA-N 313.463 3.629 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1-c1nc(N)ncc1Cl 43790783 GSQJELGNCBPNIB-UHFFFAOYSA-N 320.780 3.950 0 40 DHAB Clc1c(CN[C@@H]2CCN(C3CC3)C2)sc2ccccc12 44687549 ZXCODEHKCNNVPY-LLVKDONJSA-N 306.862 3.881 0 40 DHAB CC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 45369790 VWSNUVXDGXLXME-UHFFFAOYSA-N 302.296 3.849 0 40 DHAB CC(C)Oc1ccc(C(=O)NCCSC2CCCC2)cc1 46450538 QOGWJQRMGYUFKP-UHFFFAOYSA-N 307.459 3.879 0 40 DHAB C[C@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1ccnc1 48333354 KJGZGQWPECOTKO-DOMZBBRYSA-N 303.431 3.553 0 40 DHAB Cc1occc1CN(C)Cc1nc(O)c2oc3ccccc3c2n1 55053574 PRZKWDGDYHYUAS-UHFFFAOYSA-N 323.352 3.615 0 40 DHAB Cc1cc(C)nc(SCC(=O)NC(C)(C)CC(C)(C)C)n1 57156219 KXZIYWUVEIJICO-UHFFFAOYSA-N 309.479 3.517 0 40 DHAB Cc1cc(C(=O)Nc2ccc3nc(C)cn3c2)c2ccccc2n1 58180931 INNXFGPHTKDKCJ-UHFFFAOYSA-N 316.364 3.752 0 40 DHAB Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cccnc1 69774846 FEYRYNGOBHBBNR-UHFFFAOYSA-N 317.392 3.628 0 40 DHAB C[C@@H](SCc1cccc(C(F)(F)F)c1)C(=O)NC1CC1 71818588 XNGRINPLAGCLOP-SECBINFHSA-N 303.349 3.606 0 40 DHAB COCc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 71844105 OLAJLUXYKKHAIV-QGZVFWFLSA-N 310.397 3.854 0 40 DHAB CCCCC(=O)NCc1nc(-c2ccc(OC)cc2)cs1 72264938 HFDLZPGVGFFTHC-UHFFFAOYSA-N 304.415 3.625 0 40 DHAB O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 72273258 UKGLRILMPORELL-DLBZAZTESA-N 323.440 3.626 0 40 DHAB CC(C)(C)c1noc(CNc2ccccc2N2CCCCC2)n1 74042863 NROPYAZVGKDQQA-UHFFFAOYSA-N 314.433 3.970 0 40 DHAB O=C(COc1ccccc1F)N1CCC(c2cccs2)CC1 75157030 WQGJFJALKLZKTM-UHFFFAOYSA-N 319.401 3.672 0 40 DHAB Cc1nc2c(s1)[C@@H](NCc1ccn(C3CCCC3)n1)CCC2 90547188 JZYOKSYKESIUAJ-HNNXBMFYSA-N 316.474 3.930 0 40 DHAB Fc1cccc(CN[C@H](CN2CCCC2)c2ccccc2)c1F 95393943 YKDOEWJJJWBHKR-GOSISDBHSA-N 316.395 3.892 0 40 DHAB C[C@@H](OC(=O)c1cc(F)c(O)c(F)c1)c1cc(F)ccc1F 95963494 UFBKEARLFYCLPC-SSDOTTSWSA-N 314.234 3.867 0 40 DHAB CC[C@H](C(=O)NC[C@H](OC)c1ccccc1C)c1ccccc1 96104952 NOSDNPNNVYEAKY-HKUYNNGSSA-N 311.425 3.993 0 40 DHAB CCOc1cc(F)cc(-c2ccc(CC(=O)N(C)C)cc2)c1 96132362 MEDISJLDPAJCFN-UHFFFAOYSA-N 301.361 3.522 0 40 DHAB O=C(c1cccnc1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97372136 VIEXYSTWTOICPZ-AWEZNQCLSA-N 320.314 3.730 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc(F)cc3[nH]cnc13)C2 102135229 KKAVRYQAHCOQJY-LWGAZXOISA-N 315.392 3.647 0 40 DHAB O=C(c1ccco1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106638372 LOJONMJJVHHNAE-ZWKOTPCHSA-N 324.424 3.549 0 40 DHAB Cn1cccc1[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 107489088 RXEHSKKJKXPXAL-LISAXSMJSA-N 300.446 3.905 0 40 DHAB COc1ccccc1-c1nnc(-c2cnc(C(C)C)nc2C)o1 216610326 XXXYBGHPJSOZHN-UHFFFAOYSA-N 310.357 3.634 0 40 DHAB COCC(=O)Nc1cc(Cl)ccc1Oc1cccc(OC)c1 223236367 OIWQLRNZDRZVRM-UHFFFAOYSA-N 321.760 3.726 0 40 DHAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224686747 LIVAUTDTMPTUOV-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB CCc1ccc(CC(=O)NCCCc2ccc(OC)cc2)cc1 224742200 HTUDDZIMIYBXOV-UHFFFAOYSA-N 311.425 3.549 0 40 DHAB Cc1cccc(Nc2ccc(C(=O)N3CCCC3)cc2N)c1C 225418149 RJWZFNWWUNXTKZ-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(Cl)s1 225654309 LDWXVAWAMAHIJF-UHFFFAOYSA-N 318.785 3.987 0 40 DHAB c1ccc(CO[C@H]2C[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cc1 257271686 MZJNGMMETVRFLX-FVQHAEBGSA-N 314.454 3.570 0 40 DHAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3nc(C)c[nH]3)coc2c1 257293806 QRFXIIQHLPYKCX-MRXNPFEDSA-N 323.396 3.679 0 40 DHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3cnncc3c2)C1 408976877 GWORVXTVSAMRHE-QFBILLFUSA-N 309.413 3.671 0 40 DHAB O=C(NCC1CCC(c2ccccc2)CC1)c1cscn1 520800227 CWOREFDZMNQWAA-UHFFFAOYSA-N 300.427 3.847 0 40 DHAB Fc1cccc(F)c1CN1CCC[C@@H](COc2ccncc2)C1 1776009263 WXBGPNRPAHFORE-CQSZACIVSA-N 318.367 3.651 0 40 DHAB O=S(=O)(Nc1ccc(Cl)cc1)c1cccc2cccnc12 423476 IDPGVJRVFCBNKY-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB Cn1c(=O)c(Oc2cccc(C(F)(F)F)c2)nc2ccccc21 1382204 OQZXWIAWZYIMJE-UHFFFAOYSA-N 320.270 3.745 0 40 DHAB CCc1ccccc1S(=O)(=O)c1c(C)cc(C)nc1Cl 1401789 WLMLWIOASOGEPT-UHFFFAOYSA-N 309.818 3.747 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@H]1CCCC[C@H]1SC[C@@H]2O 1592179 QSGJCDIDVQRUTA-VHRBIJSZSA-N 324.442 3.519 0 40 DHAB O=C(O)c1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 1739118 NSBVCVIUPSTKGH-UHFFFAOYSA-N 324.163 3.622 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 3226744 UMHSFKAUWWWUGL-GFCCVEGCSA-N 301.342 3.589 0 40 DHAB Cc1ccccc1OC[C@H](O)CN1C(C)(C)CCCC1(C)C 3615135 SEUANAVITZNMPH-MRXNPFEDSA-N 305.462 3.778 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccc(Br)s1 4076712 OUHGSWGOCKISOB-UHFFFAOYSA-N 300.152 3.902 0 40 DHAB CCOc1ccc(C(=O)COC(=O)c2cccc(Cl)c2)cc1 4740713 YBLLNCMYHZYAMJ-UHFFFAOYSA-N 318.756 3.778 0 40 DHAB CCNc1c(NC(=O)c2cccc(C)c2)c(=O)oc2ccccc12 6823326 YMVGEONSFIGVBP-UHFFFAOYSA-N 322.364 3.786 0 40 DHAB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 6965700 MLWSFEFOMDCJBZ-SUNYJGFJSA-N 306.365 3.915 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(C)cc2)cc1 7935391 SISQOFUCVRCYNH-CQSZACIVSA-N 315.438 3.801 0 40 DHAB COc1ccc(Cl)cc1COc1ccccc1NC(C)=O 8326090 KVEZSCRORXMNHR-UHFFFAOYSA-N 305.761 3.886 0 40 DHAB CCOc1cc(C=O)ccc1OCCCN1CCCC[C@H]1C 8731556 WCRUZAIOHJLYKG-OAHLLOKOSA-N 305.418 3.541 0 40 DHAB Cc1ccc(N2C[C@@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1 8743595 IHAZLUDYYOJSSJ-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB Cc1csc2nc(CSCc3cccc(F)c3)cc(=O)n12 9500153 WODOFQHUIRLPFY-UHFFFAOYSA-N 320.414 3.637 0 40 DHAB Cc1ccn2cc(-c3ccc4c(c3)CCN4C(=O)C3CC3)nc2c1 12088184 MWLJSBZHUSJYFP-UHFFFAOYSA-N 317.392 3.609 0 40 DHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)cc1 12679954 RYWNDIHVLIJTBB-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 12831793 COAACASBSAEQJB-UHFFFAOYSA-N 322.755 3.854 0 40 DHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nccs1 12897414 QMVIXCLAXJXIRA-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB CCc1ccc2[nH]c(=O)c(CNc3ccc4[nH]ncc4c3)cc2c1 13086653 WMKPQNDCLIGRHJ-UHFFFAOYSA-N 318.380 3.579 0 40 DHAB COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccccn1 13331878 FXDSKYLFTMHMFR-SNVBAGLBSA-N 305.765 3.626 0 40 DHAB CC(C)Nc1nnc(S[C@H](C)C(=O)c2ccccc2)s1 14113193 NDBQFHYDSGPVJH-SNVBAGLBSA-N 307.444 3.722 0 40 DHAB Oc1ccc(CCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 17066543 JNKACUJZJPESQV-UHFFFAOYSA-N 324.808 3.714 0 40 DHAB CC(C)(C)c1ccc(OCCCCCCN2CCNCC2)cc1 19365820 LGEINYZXOUVJFZ-UHFFFAOYSA-N 318.505 3.829 0 40 DHAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1C[C@@H]2C=C[C@H]1C2 19372805 KVBTWFBGPCQDHY-IJEWVQPXSA-N 310.422 3.885 0 40 DHAB CC(C)CCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 20100412 AJNQILXFZXRAFC-UHFFFAOYSA-N 322.880 3.714 0 40 DHAB CC(C)C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 21596298 ZYGXGLZFISGBQW-UHFFFAOYSA-N 310.422 3.727 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)c2cc(C(F)(F)F)n[nH]2)c(C)c1 28306257 HPETVWQEFGCBCZ-SNVBAGLBSA-N 311.307 3.536 0 40 DHAB CC1CCN(CC(=O)N[C@@H](C)c2cccc3ccccc23)CC1 29597308 ZBIRHPOFOVSPBM-INIZCTEOSA-N 310.441 3.749 0 40 DHAB CCN(CC)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C 32753118 DCXRNTLDZYAQKR-UHFFFAOYSA-N 303.431 3.668 0 40 DHAB COc1cccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)c1 32930800 XERKSNKQIKTRSL-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB Cc1cccc(CN2CCC(C(=O)N3CCCCCC3)CC2)c1 39757227 ZUHHMXIMIJBRNJ-UHFFFAOYSA-N 314.473 3.610 0 40 DHAB O=C(C[C@H]1C=CCC1)Nc1ccc(-n2cnc3ccccc32)nc1 40069940 ZEWJUXNRMUEMNP-AWEZNQCLSA-N 318.380 3.715 0 40 DHAB COc1ccc([C@H](O)c2ccc(Br)cc2)cc1OC 42268236 DGNNFTUOIOMNAX-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB COc1cc(-c2ccccc2)sc1C(=O)NCc1ccncc1 48189493 KWXFFFYAGPEAAU-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB Cc1noc([C@H]2CCCN(Cc3csc(C(C)(C)C)n3)C2)n1 54676386 SDHHLGWXOCYPLX-LBPRGKRZSA-N 320.462 3.512 0 40 DHAB O=C(CC[S@@](=O)Cc1ccc(Cl)cc1)Nc1ccccc1 58098095 CPGIYYOIOQLMRA-NRFANRHFSA-N 321.829 3.618 0 40 DHAB c1ccc(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 67898612 UDEIHMUGTXXWDV-IBGZPJMESA-N 319.408 3.650 0 40 DHAB biogenic,in-vitro Cc1ccc([C@H]2CSCCN2Cc2noc(C3CC3)n2)cc1 71909419 IBGIGYASTYELCR-OAHLLOKOSA-N 315.442 3.546 0 40 DHAB CC(=O)N1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214412 PGHRXZJZFYRXTR-CQSZACIVSA-N 319.405 3.502 0 40 DHAB O=C(NC1CCN(CCCC2CCCC2)CC1)c1ccccc1 81647211 HGZIXKTXAWCXBY-UHFFFAOYSA-N 314.473 3.851 0 40 DHAB CNC(=S)N1N=C(c2cccc(F)c2)C[C@H]1c1cccs1 95946214 BZUOTJLFNBAGCZ-ZDUSSCGKSA-N 319.430 3.543 0 40 DHAB CO[C@H](CNC(=O)c1cc2ccccc2o1)c1ccc(C)s1 96104682 DUPCIUYGOQMEHL-OAHLLOKOSA-N 315.394 3.920 0 40 DHAB C[C@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccnc1 193504688 XNSQBQPCYJYYOO-AWEZNQCLSA-N 323.421 3.875 0 40 DHAB COc1cccc2cc(C(=O)NCCSC3CCCC3)oc12 222717181 GFTDBRYDNAAADF-UHFFFAOYSA-N 319.426 3.847 0 40 DHAB COc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 223970208 JZHSFXSHQWLVQQ-NSHDSACASA-N 321.779 3.908 0 40 DHAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COCC(C)C 224452482 PSDALFUDGZJADS-UHFFFAOYSA-N 319.445 3.740 0 40 DHAB CC(C)NC(=O)c1ccc(Nc2ccc(Cl)cc2)c(N)c1 225423886 WHZWHWFKFBLVBS-UHFFFAOYSA-N 303.793 3.804 0 40 DHAB Cc1ccnc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225873499 NZOZKRBYLYPLLF-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)cc1O 409411521 IIUQZBWHESOKAC-UHFFFAOYSA-N 311.765 3.916 0 40 DHAB Cc1cccc2nc(-c3cc(OC4CCC4)ccn3)nc(O)c12 546751735 WMKWDQYPSZXVEF-UHFFFAOYSA-N 307.353 3.637 0 40 DHAB FC(F)Oc1ccc(Cl)cc1CN1CCCc2n[nH]cc21 574731226 CPRAJOJMRVXBKK-UHFFFAOYSA-N 313.735 3.617 0 40 DHAB CC1(C(=O)Nc2cccc(-c3noc(C(F)F)n3)c2)CCC1 585083347 UGUMUGCFKANRTR-UHFFFAOYSA-N 307.300 3.803 0 40 DHAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC(=O)c1ccccc1 232001 CJSQVOCVTPYEBO-HNNXBMFYSA-N 322.408 3.837 0 40 DHAB Cc1ccccc1-c1nn2c(-c3cccc(F)c3)nnc2s1 385553 NBPIEMBFVBVQIM-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB O=C(c1sc2ccccc2c1Cl)n1nnc2ccccc21 499087 HBLJJLVJSWQWNZ-UHFFFAOYSA-N 313.769 3.988 0 40 DHAB CCCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 838316 AGAVOXIXFXYFEG-UHFFFAOYSA-N 308.337 3.594 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1[C@H]1NC=Cc2ccccc21 1577829 AJSRKSMZXNELTH-PMACEKPBSA-N 302.377 3.876 0 40 DHAB COc1cc(NC(=O)c2cc(C(C)C)on2)c(OC)cc1Cl 2465732 NQKWRELILZFNQJ-UHFFFAOYSA-N 324.764 3.721 0 40 DHAB CC(=O)c1ccc(NC(=O)C(C(F)(F)F)C(F)(F)F)cc1 3153489 DNPDUXDBEHZBNH-UHFFFAOYSA-N 313.197 3.569 0 40 DHAB biogenic Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 3442942 MMSKOKGZHYLZNI-GFCCVEGCSA-N 317.772 3.832 0 40 DHAB CNC(=S)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 3765655 PALXKTBPCHKKQT-CJNGLKHVSA-N 315.486 3.700 0 40 DHAB CC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1 3818792 VKQMIMVBKWNTLM-UHFFFAOYSA-N 313.353 3.526 0 40 DHAB CCOC(=O)[C@H]1CC2(CC[C@H]1N)c1ccccc1-c1ccccc12 4742915 ZXMLXVVRBMOTQI-QFBILLFUSA-N 321.420 3.644 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCC[C@H](C)C1 6356053 JHQZQXQDMVUSSM-YESZJQIVSA-N 305.462 3.672 0 40 DHAB Cc1ccc(CNc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 7596905 CTWRJNXSZGDALF-UHFFFAOYSA-N 307.401 3.508 0 40 DHAB Cc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1 7756249 SYDQYZBONCNIOX-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB CCc1ccc2c(CC(=O)Nc3ccc(OC)nc3)coc2c1 8016920 SSXBAECDBIJPKL-UHFFFAOYSA-N 310.353 3.580 0 40 DHAB CCCCOc1ccc(C(=O)NCc2cccc(OC)c2)cc1 8379352 SOHGTHYXXVBZNO-UHFFFAOYSA-N 313.397 3.804 0 40 DHAB COc1ccc2[nH]c(C(=O)N[C@H](C)CCc3ccccc3)cc2c1 9581757 OMPICAVQTDTVCO-CQSZACIVSA-N 322.408 3.928 0 40 DHAB CCCCC(=O)Nc1ccc(-c2cn3nc(OC)ccc3n2)cc1 11693497 KGEKKAKNGJZDBR-UHFFFAOYSA-N 324.384 3.534 0 40 DHAB O=C(Nc1ccc(Cl)cc1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 13140113 OSVHMFGRCLKTFY-GKUGFIGPSA-N 305.805 3.610 0 40 DHAB CCOC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 13959207 XTYKWNISZZQXRN-UHFFFAOYSA-N 324.380 3.848 0 40 DHAB O=C(NCCc1ccccc1)N1CCC[C@H]1c1cccs1 15837696 ZSDGZWHGWYACQF-HNNXBMFYSA-N 300.427 3.837 0 40 DHAB COC(=O)c1cc(-c2cccs2)nc2onc(C(C)C)c12 16778809 LRJBBVYLJCTLAR-UHFFFAOYSA-N 302.355 3.861 0 40 DHAB CCCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 17027996 XOYKPVRVDOPLGI-UHFFFAOYSA-N 305.447 3.646 0 40 DHAB CCc1ccc(CN2CCN([C@@H]3CCCC[C@@H]3C)CC2)cc1 19359440 IOSGVSNXYJVSHE-FXAWDEMLSA-N 300.490 3.945 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20025412 FSQDOZGKMDZZHL-LBPRGKRZSA-N 301.411 3.908 0 40 DHAB CCCN(CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 21918361 KBOWDIBQQFDXMY-UHFFFAOYSA-N 312.413 3.546 0 40 DHAB Clc1ccc([C@H](c2ccccc2)N2CCCNCC2)cc1 22045968 RMTYMEIZBKIWGP-SFHVURJKSA-N 300.833 3.725 0 40 DHAB CC(C)c1noc(COC(=O)/C=C/c2cccc(Cl)c2)n1 22750653 ANBLPAFRJBSCBZ-VOTSOKGWSA-N 306.749 3.603 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 23530225 NOTPDESUEFKEJY-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB COc1ccc(-c2nnc([C@H](C)N3C[C@H](C)C[C@@H](C)C3)o2)cc1 25507896 QCBYCAKLDSMCBZ-MCIONIFRSA-N 315.417 3.784 0 40 DHAB O=C1CCCc2cc(-c3csc(N4CCCC4)n3)ccc2N1 30447027 QNEGKJQKPUUQPB-UHFFFAOYSA-N 313.426 3.685 0 40 DHAB O=C(c1cc(-c2ccccc2F)on1)N1CCc2ccccc21 32830360 QWBGWDSDNGROGY-UHFFFAOYSA-N 308.312 3.684 0 40 DHAB CC(C)CCC[C@H](C)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 32901208 IMUCCNGYPHZXOZ-SWLSCSKDSA-N 320.408 3.583 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)/C=C/c3ccco3)c2)n1 33123892 YKVYQKNHPPBYRU-BQYQJAHWSA-N 305.337 3.697 0 40 DHAB O=C(c1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 35319050 BORZWSKDMIEBQG-MRXNPFEDSA-N 319.364 3.714 0 40 DHAB Cc1ccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)cc1 35477018 IMPKNLFMEJPGKO-UHFFFAOYSA-N 321.380 3.500 0 40 DHAB CC[C@](C)(Nc1ccccc1)c1nnnn1-c1ccc(C)cc1 35622111 KRPCCOCJSIVBFP-SFHVURJKSA-N 307.401 3.708 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C 44848780 LOYOFANNNWETAC-FZKQIMNGSA-N 313.372 3.961 0 40 DHAB C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)[C@@H]1CCCO1 49674859 UKQLMAPXERGLPT-BEFAXECRSA-N 324.424 3.752 0 40 DHAB O=C1CCCC(=O)N1c1ccc(Nc2nc3ccccc3o2)cc1 52076432 JPLZVTPQZKGARQ-UHFFFAOYSA-N 321.336 3.615 0 40 DHAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)o1 57771206 JEXAHIGXZWQUOQ-GOSISDBHSA-N 319.364 3.750 0 40 DHAB Cc1nccn1-c1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cn1 58245502 INVMOEPXSAXJCH-SUMWQHHRSA-N 322.412 3.582 0 40 DHAB CCCCCC[C@@H](C)NC(=O)N[C@H](C)Cc1ccc(O)cc1 58434803 NJAHOCLFUBJUBM-HUUCEWRRSA-N 306.450 3.981 0 40 DHAB O=c1c(C(F)(F)F)cccn1CCOc1cccc(Cl)c1 58604841 SJDLVOSJMSFWEZ-UHFFFAOYSA-N 317.694 3.600 0 40 DHAB Cc1cc(NC(=O)c2ccc(Cl)s2)cc(C(=O)O)c1C 62348629 AXIVSUJHMLEDAP-UHFFFAOYSA-N 309.774 3.969 0 40 DHAB C[C@@H](SCCOc1ccc(Cl)cc1)C(=O)NC(C)(C)C 65565001 ASNFODFCPVRTTI-LLVKDONJSA-N 315.866 3.755 0 40 DHAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1C)c1c(C)noc1C 69460697 MRIRPRGWZPHDGA-WFASDCNBSA-N 300.402 3.971 0 40 DHAB O=C(CCc1ccccc1)NC[C@@H](O)c1cccc2ccccc12 70635949 GDNZDBPFULSDLM-HXUWFJFHSA-N 319.404 3.622 0 40 DHAB CC(C)c1nc(CNC(=O)N(C)[C@@H](C)c2cccnc2)cs1 71879973 FNKCEYNWNNIFSP-LBPRGKRZSA-N 318.446 3.564 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@]2(C)CC2(Cl)Cl)s1 71883161 QEELLKWSCAVASG-PELKAZGASA-N 321.273 3.863 0 40 DHAB Cc1c(C[S@](C)=O)cccc1NC(=O)c1cccc(Cl)c1 72286767 HZSZPAZNTBIMKZ-OAQYLSRUSA-N 321.829 3.779 0 40 DHAB CC[C@](C)(NCc1cccc(NC(C)=O)c1)c1nccs1 72683646 TUDFMYHDCVAJIW-INIZCTEOSA-N 303.431 3.517 0 40 DHAB C[C@H](NC(=O)CC1(O)CCCCC1)c1ccc(F)c(Cl)c1 73050260 LASSDWMDPHCXFA-NSHDSACASA-N 313.800 3.742 0 40 DHAB Cc1ccc(C)c([S@](=O)Cc2cc(F)cc3c2OCOC3)c1 79106442 BMFDIZMVAOATHE-QFIPXVFZSA-N 320.385 3.617 0 40 DHAB S=C(SCc1cc(Cl)c2c(c1)OCO2)N1CCCC1 84335334 QPCZNXKTESJHNN-UHFFFAOYSA-N 315.847 3.683 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)CCO[C@@H](C)CC(C)C)c1 87061522 LOKZCLOOWDVFNK-AWEZNQCLSA-N 320.433 3.815 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 89355925 YMWBHTYUYCEUIH-ZIAGYGMSSA-N 315.335 3.719 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCCCn1ccnc1 89857756 SXRBAHOSQLLZNU-KRWDZBQOSA-N 311.429 3.699 0 40 DHAB COc1ccc2cccc(CC(=O)Nc3cc(C)ns3)c2c1 95973977 BWQPYTGLPJMNEP-UHFFFAOYSA-N 312.394 3.795 0 40 DHAB C[C@H]1C[C@H]2CN(C(=O)c3ccc(F)c4ccccc34)CC[C@H]2O1 96043630 IPCUORGAAQDZFD-ZJNRKIDTSA-N 313.372 3.618 0 40 DHAB CO[C@](C)(CNC(=O)c1ccccc1Cl)c1ccccc1F 96123457 CWBLMPOVKLRFOT-QGZVFWFLSA-N 321.779 3.771 0 40 DHAB O=C(Cc1noc2ccccc12)N1CC=C(c2cccs2)CC1 96409966 XSYOSXFHRJKCBB-UHFFFAOYSA-N 324.405 3.748 0 40 DHAB Cc1cnn(C2CCN(CCSc3ccccc3)CC2)c1 96410343 RDPMDXOMZJBYES-UHFFFAOYSA-N 301.459 3.621 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)NCCCCc2nccs2)s1 97212295 DRWQZOUSCWBZFY-OLZOCXBDSA-N 320.483 3.756 0 40 DHAB CC(C)n1c(Cl)nc2cc(C(=O)N[C@H](C)C3CC3)ccc21 222540500 NBIZFPGKTKGPQP-SNVBAGLBSA-N 305.809 3.799 0 40 DHAB CC[C@H](C(=O)OC)N1c2cc(OC)ccc2C(C)=CC1(C)C 223199491 IITVVCBXJRILHY-OAHLLOKOSA-N 303.402 3.649 0 40 DHAB Cc1cccc(OCCNC(=O)c2ccc(Cl)cc2)c1C 223896847 VFFNRPOLMBRIBK-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCCCc1ccc(F)cc1 225038328 XWMMDGAFVMFSPK-UHFFFAOYSA-N 321.779 3.850 0 40 DHAB Cc1c(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)oc2ccccc12 257320552 VXINDUONMXRHIQ-AWEZNQCLSA-N 323.396 3.559 0 40 DHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H]1CC[C@]2(C)O 257346152 SLGYIGUMKJYZLP-XGBHYTINSA-N 318.457 3.528 0 40 DHAB Cc1ccccc1OCCCNC(=O)c1cncc2ccccc12 519115719 KPGZMFRVZKTQQC-UHFFFAOYSA-N 320.392 3.742 0 40 DHAB CCc1ccccc1-c1noc(Cc2c[nH]c3ncccc23)n1 545609667 LHPYCRNMASARFL-UHFFFAOYSA-N 304.353 3.766 0 40 DHAB Cc1cnc(-c2noc([C@H]3CC(C)(C)Oc4ccccc43)n2)nc1 575161803 UPKOSPPFQHSPSP-ZDUSSCGKSA-N 322.368 3.528 0 40 DHAB c1ccc(Nc2nc3nonc3nc2Nc2ccccc2)cc1 47918 ATZZYZAINHYDLD-UHFFFAOYSA-N 304.313 3.500 0 40 DHAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cccnc1 69028 LNAFZROFDWEOKL-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB O=c1oc(CCc2ccccc2)nc2sc3c(c12)CCCC3 349885 OWUAWANIVSTMHG-UHFFFAOYSA-N 311.406 3.914 0 40 DHAB CC[C@H](CO)Nc1nnc(-c2ccc(C)cc2)c2ccccc12 1093167 ZCEQWRUQGXLKGR-OAHLLOKOSA-N 307.397 3.788 0 40 DHAB CCn1nc(NC(=O)c2ccco2)c2cc3cc(C)ccc3nc21 1276089 GOGXFESCXKLYCF-UHFFFAOYSA-N 320.352 3.758 0 40 DHAB CCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1 1345419 RHORHYMTSNRQLZ-UHFFFAOYSA-N 301.415 3.667 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1 1502420 LOTUJMAMDQXIFY-UHFFFAOYSA-N 300.383 3.586 0 40 DHAB C[C@H]1CCc2sc3ncn4nc(-c5ccco5)nc4c3c2C1 2202135 ZRUGGFXQJOEDJH-VIFPVBQESA-N 310.382 3.724 0 40 DHAB O=C(COc1ccc2c(c1)CCC2)NCc1cccc(Cl)c1 2628491 UPHDLSXLERLGPP-UHFFFAOYSA-N 315.800 3.524 0 40 DHAB CCCCCNC(=O)c1ccc(C(=O)NCCCCC)cc1 3105952 DGEFTSCPIARBGH-UHFFFAOYSA-N 304.434 3.527 0 40 DHAB Cc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 5439951 GUGCUSFJRPPANL-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 5671536 VHTXOTZZWSVINU-AWEZNQCLSA-N 320.392 3.667 0 40 DHAB Cc1cc(C)cc(-n2ccnc(NCCc3ccccc3)c2=O)c1 6914961 CCTAXRWBPWYUSB-UHFFFAOYSA-N 319.408 3.504 0 40 DHAB Cc1nc(CSc2nnc(C)n2-c2ccccc2C)cs1 7779069 CFMDBMRVQGPRGR-UHFFFAOYSA-N 316.455 3.941 0 40 DHAB CC(=O)Nc1ccc(OC(=O)c2oc3ccccc3c2C)cc1 7797335 KWPICDKBLJBDLO-UHFFFAOYSA-N 309.321 3.919 0 40 DHAB OCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 8710274 KOLWVSBGDDBXOJ-UHFFFAOYSA-N 318.376 3.761 0 40 DHAB O=C(c1cccs1)c1ccccc1C(=O)N1CCCCCC1 8855693 NMEKZXAHYULQIV-UHFFFAOYSA-N 313.422 3.995 0 40 DHAB Cc1ccc(CCCNC(=O)c2ccc3[nH]cnc3c2)c(C)c1 9889919 TZKAOBANLBGJFI-UHFFFAOYSA-N 307.397 3.542 0 40 DHAB Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1 10319510 MPCWLFNDJLBBDU-UHFFFAOYSA-N 306.365 3.713 0 40 DHAB Cc1cc(C)c2c(NC(=O)c3ccc(Cl)cc3)noc2n1 11694968 DHIMBDOYKGKHCH-UHFFFAOYSA-N 301.733 3.745 0 40 DHAB CC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2 12461783 XYFNWTCUGJTICR-ZDUSSCGKSA-N 311.381 3.638 0 40 DHAB Cc1ccc(NC(=O)CSc2ncc3ccccn23)cc1C 12546595 OAWHDFSILJFDTF-UHFFFAOYSA-N 311.410 3.682 0 40 DHAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3)n2)C1 12992794 YDVKSJSAZSJAFI-ZDUSSCGKSA-N 315.442 3.627 0 40 DHAB CCOc1ccc2cc(CNc3ccc(O)cc3C)c(=O)[nH]c2c1 13086657 MKVJTULAWXIXJL-UHFFFAOYSA-N 324.380 3.553 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1F 14199703 PFGFNELXAZXCRY-UHFFFAOYSA-N 321.735 3.908 0 40 DHAB COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N 20343451 DMABEMIECUUUID-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CCOc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 22882767 ILHAGPROTUENFE-RYUDHWBXSA-N 315.335 3.936 0 40 DHAB O[C@@H](c1ccccc1)C1CCN(c2ncnc3ccccc23)CC1 25454422 HJLSTUARVXVAPQ-IBGZPJMESA-N 319.408 3.580 0 40 DHAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1Cl 25766080 UABFRVWLBHZLLT-GFCCVEGCSA-N 309.818 3.521 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)NC1CC(C)(C)NC(C)(C)C1 26180482 ROPXRQDLZMDTPW-CQSZACIVSA-N 317.477 3.664 0 40 DHAB O=C(COc1cccc(Cl)c1)Nc1ccnn1C1CCCC1 27757517 XSFZIPSMWGEHCA-UHFFFAOYSA-N 319.792 3.669 0 40 DHAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCCc2ccccc21 39987657 SCWOFVSQRXCXPZ-LBPRGKRZSA-N 315.804 3.515 0 40 DHAB C[C@@H](NC(=O)N[C@H]1CCSc2ccccc21)c1ccccn1 45559980 UORPWVCIQQNJBE-DOMZBBRYSA-N 313.426 3.679 0 40 DHAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@@H]1c1ccsc1 48355898 FAABAIREPQWXPS-IUODEOHRSA-N 304.415 3.819 0 40 DHAB CCc1nnsc1C(=O)N[C@H](c1cccs1)C(C)(C)C 59280237 MFFMWQMQDANYBA-GFCCVEGCSA-N 309.460 3.679 0 40 DHAB O=C(C=C1CCCCC1)OCc1nc(Cc2ccccc2)no1 63550916 SNGHUMVQITUSNB-UHFFFAOYSA-N 312.369 3.594 0 40 DHAB Cc1cc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)on1 65606704 LSHVIVQZPWIMPP-UHFFFAOYSA-N 300.333 3.594 0 40 DHAB CCn1c(CCNc2nc3ccccc3o2)nc2ccccc21 65947379 MQGOLPRMLTUXQA-UHFFFAOYSA-N 306.369 3.852 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 71121460 DYUDVLVLXIDGJU-UHFFFAOYSA-N 306.365 3.564 0 40 DHAB CC(C)n1ncc2c(-c3nc(C4CC4)no3)cc(C3CC3)nc21 74124248 QKQXVSYKVZOAAQ-UHFFFAOYSA-N 309.373 3.817 0 40 DHAB C[C@H](NC(=O)c1cccnc1)c1ccc(-c2ccncc2)cc1 74296514 LKDWQINIMJFLEE-AWEZNQCLSA-N 303.365 3.635 0 40 DHAB C[C@H](c1cccnc1)N(C(=O)c1ncoc1-c1ccco1)C1CC1 74564858 NCTGZQHMRPCRKN-GFCCVEGCSA-N 323.352 3.695 0 40 DHAB COc1ccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1F 75132238 AEHVWZXPZCSPHY-MRXNPFEDSA-N 317.408 3.522 0 40 DHAB CCOc1ccc(NC(=O)N[C@H](C)c2nccs2)cc1C 75133467 LZDJJHFFJRLTFQ-LLVKDONJSA-N 305.403 3.733 0 40 DHAB C[S@@](=O)Cc1cc(NC(=O)C[C@@H]2C=CCC2)ccc1Cl 79361156 SOYWLCMFAANCJG-GIPWTMENSA-N 311.834 3.513 0 40 DHAB CCCC(=O)Nc1cccc(NCc2cnn(CCC)c2)c1 95428690 CRNNCFYBYKMTME-UHFFFAOYSA-N 300.406 3.644 0 40 DHAB CCOCc1cccc(NCc2ccc(OC)c(OC)c2)c1 95429000 RVATVXZCGKEHTO-UHFFFAOYSA-N 301.386 3.852 0 40 DHAB C[C@@H](Nc1cccc(F)c1)c1ccc(S(C)(=O)=O)c(F)c1 97037050 YHJYGFJXAGYBDI-SNVBAGLBSA-N 311.353 3.541 0 40 DHAB CCCN(Cc1ccn(Cc2ccccc2)c1)C1CCNCC1 97095615 QJFKJURRIVVFFG-UHFFFAOYSA-N 311.473 3.500 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccncc2F)s1 97135607 MTGAXPFMXZIUCO-VIFPVBQESA-N 308.382 3.519 0 40 DHAB Clc1cc(CNC[C@H]2C[C@H]3C=C[C@H]2C3)cc2c1OCCCO2 100699382 VYLMWURHPRRRPZ-AEGPPILISA-N 319.832 3.803 0 40 DHAB CC1=CC[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 101547192 IXVJAVXCXHVDAV-QWRGUYRKSA-N 310.180 3.839 0 40 DHAB C[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(-c2cncnc2)cc1 102704724 NGYSJHGMRMSAFA-IPQUUHLSSA-N 319.408 3.533 0 40 DHAB Cc1cn(-c2ccccc2)nc1NC(=O)N(C)C(C1CC1)C1CC1 106951212 OQFAXAATYJARKF-UHFFFAOYSA-N 324.428 3.833 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 113948563 QIOJJCXDPCMINK-UONOGXRCSA-N 301.361 3.779 0 40 DHAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccco1 187087154 DTESCOFXJBIZAU-NHYWBVRUSA-N 305.761 3.535 0 40 DHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 222813208 AWXNVONUFHRBMC-KBPBESRZSA-N 303.456 3.524 0 40 DHAB CCCNC(=S)Nc1nc(C)c(Br)cc1Cl 223869884 OGFTZPQBBQHZCE-UHFFFAOYSA-N 322.659 3.502 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCC1CCCCC1 224159404 YGCLJVPWVSFTAE-KRWDZBQOSA-N 305.418 3.549 0 40 DHAB Cc1ccccc1NC(=O)N[C@H](C)Cc1ccc2c(c1)CCO2 225604117 IUGFNHSTCNKJKX-CQSZACIVSA-N 310.397 3.683 0 40 DHAB Cc1cc2c(SCCO[C@@H]3CCCCO3)ncnc2s1 225640095 IHYLDMAXIYYWSC-GFCCVEGCSA-N 310.444 3.635 0 40 DHAB O=C(c1cccc2ccccc12)N1CC[C@H](Oc2ccncc2)C1 253408443 XYQSCBBPPPLWCS-KRWDZBQOSA-N 318.376 3.528 0 40 DHAB N#Cc1cccc(C(=O)NCc2ccc(-c3ccoc3)cc2)c1 390830743 NATZKUMKAYEMOS-UHFFFAOYSA-N 302.333 3.748 0 40 DHAB CCCc1nc(C)c(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)o1 562333257 AFFSZTMKTYAZGP-LSDHHAIUSA-N 319.449 3.704 0 40 DHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1cccs1 1775968193 MUVRUIKJUWQSAS-NSHDSACASA-N 319.407 3.533 0 40 DHAB c1ccc2c(N3CCC(Oc4nccs4)CC3)ccnc2c1 2086889704 PYLYUWXTRPZVRO-UHFFFAOYSA-N 311.410 3.739 0 40 DHAB COc1ccc(C(=O)Oc2ccc(O)c(C(C)(C)C)c2)cc1 363939 DMUZDFIHQIVBNY-UHFFFAOYSA-N 300.354 3.918 0 40 DHAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1F 516103 UAXQCIIAORAPKB-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB CCN(CC)C(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 785843 UDZIPAMFSWHTGS-UHFFFAOYSA-N 316.489 3.890 0 40 DHAB Cc1c(C)n(C[C@@H](O)CN[C@H](C)c2ccccc2)c2ccccc12 811134 RJMNRFYYYWPFQK-APWZRJJASA-N 322.452 3.970 0 40 DHAB COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 1665264 CFSCUZCDZNJHCM-OAHLLOKOSA-N 302.757 3.870 0 40 DHAB Cc1noc(C)c1COC(=O)c1cc(Cl)cc(Cl)c1 3320862 PDQBRDFXUPKSCI-UHFFFAOYSA-N 300.141 3.955 0 40 DHAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(SC(F)F)cc1 3583486 FRDNMYLGEAZQCD-LLVKDONJSA-N 314.401 3.814 0 40 DHAB Cc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3[nH]2)o1 4901447 PAENDZDUHRZPJV-UHFFFAOYSA-N 307.309 3.977 0 40 DHAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 4910394 CKDIUJITZVJABZ-AWEZNQCLSA-N 311.381 3.803 0 40 DHAB CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 5035381 RZGQAXUCNATUOU-UHFFFAOYSA-N 312.300 3.783 0 40 DHAB Fc1ccc(NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 5895712 IVTGWNIBRAFWKP-UHFFFAOYSA-N 304.434 3.937 0 40 DHAB Cc1c(NC(=O)c2ccc(N3CCCC3)cc2)cccc1C(=O)O 7383377 QHRHISCFZYVACJ-UHFFFAOYSA-N 324.380 3.546 0 40 DHAB CC(C)=CC(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 7651520 HMHQNXRSMBMMHQ-UHFFFAOYSA-N 306.745 3.764 0 40 DHAB Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)C2CC2)s1 8744845 KMVBATZLZREGIL-UHFFFAOYSA-N 314.410 3.966 0 40 DHAB Clc1ccc(CCNc2nc3ccccc3c3nncn23)cc1 9880130 WTJMORXFCNKDLQ-UHFFFAOYSA-N 323.787 3.586 0 40 DHAB CC(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2)cc1 10311292 KQKCKBBQJYELFR-IBGZPJMESA-N 322.408 3.665 0 40 DHAB c1csc(-c2n[nH]cc2CNCCc2c[nH]c3ccccc23)c1 12538771 JNJYGZMSPZCLCT-UHFFFAOYSA-N 322.437 3.952 0 40 DHAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccncc1 12543152 CVRIUSZQFSPVMF-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CCCC[C@H]2C)c1C 13147941 JJYYMWPJODJYLK-OLMNPRSZSA-N 305.462 3.520 0 40 DHAB Cc1cccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 16279011 NUAHIGIHSBLDBR-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C 17113364 YWORHIMMPZULFK-QGZVFWFLSA-N 301.430 3.698 0 40 DHAB Cc1cc(C(=O)Nc2ccc(Br)cc2)ccc1N 19260228 PIMSEIUAYGAEDJ-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1 19311995 CETOBLUFNFHHJX-KRWDZBQOSA-N 315.344 3.682 0 40 DHAB C[C@@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2)CC1 19366847 ZZAVOYQAGLDQDC-QUCCMNQESA-N 300.490 3.816 0 40 DHAB O=C(N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1ccccn1 19373846 ALPSQXVJYVYTNK-NEPXVJNWSA-N 306.409 3.784 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1cccc(C)c1)c1ccc(C)cc1 20048528 UWNSHXRCERTXAV-SFHVURJKSA-N 317.454 3.874 0 40 DHAB CC(C)c1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 21785931 TVOMSRIAWORWLC-UHFFFAOYSA-N 314.370 3.569 0 40 DHAB O=C(C1CCCCC1)N1CCC([C@@H](O)c2ccccc2)CC1 23384055 MGEBFYVSCQRRFX-SFHVURJKSA-N 301.430 3.539 0 40 DHAB COC(=O)c1ccc2ccccc2c1OCc1c(C)noc1C 24830461 KUVCDHINYOUNAA-UHFFFAOYSA-N 311.337 3.810 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)nc2)C1(C)C 32893113 DXQXIAWJRRIRGI-DOTOQJQBSA-N 313.445 3.859 0 40 DHAB O=C(Oc1ccc(-c2nnco2)cc1)C12CC3CC(CC(C3)C1)C2 32996071 AOBWZNJBPQKSSQ-UHFFFAOYSA-N 324.380 3.858 0 40 DHAB Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)c2c(C)noc2n1 36613999 MCZJJGDCGSHHTK-INIZCTEOSA-N 321.380 3.647 0 40 DHAB FC(F)(F)[C@H]1CCC[C@@H](NCc2c[nH]nc2-c2cccnc2)C1 42959974 DFZUBZOXCPZJDB-UONOGXRCSA-N 324.350 3.682 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 43277394 LDTSNOBMZUZGLC-AWEZNQCLSA-N 315.438 3.834 0 40 DHAB CN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 44910178 FNQZKGLAPAJKTF-SFHVURJKSA-N 308.425 3.562 0 40 DHAB O=C(NCc1nc2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1 48311249 AFZGTVSRONBQIG-UHFFFAOYSA-N 320.179 3.800 0 40 DHAB c1ccc2nc(NCCNc3nc4ccccc4o3)ccc2c1 58394168 NDIQMHGENXJGEM-UHFFFAOYSA-N 304.353 3.900 0 40 DHAB CCN(CC)CCOc1ccccc1NC(=O)C[C@@H]1C=CCC1 58612993 HKJNTLKUTJGAOE-MRXNPFEDSA-N 316.445 3.702 0 40 DHAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(C)ccc3C)CC2=O)c1 59227272 SGRIHNQZLGDXQS-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB Cc1cc(N[C@@H]2CCC(C)(C)c3ccccc32)n2ncnc2n1 63739211 HTJXJPKUQWRNFW-OAHLLOKOSA-N 307.401 3.657 0 40 DHAB Cc1cc(N[C@H](C)Cc2ncccc2C)nc(-c2cccnc2)n1 65426864 MGIPRCJZPCSSOZ-CQSZACIVSA-N 319.412 3.594 0 40 DHAB CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCCC2)c1 69414193 DVSYIVMVDSIGAJ-UHFFFAOYSA-N 308.425 3.555 0 40 DHAB Cc1csc(C2CCN(C(=O)c3ccccc3C)CC2)n1 69736862 WWIHTDWFQLVTEQ-UHFFFAOYSA-N 300.427 3.780 0 40 DHAB CCN(C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72212804 QTJUEMLWFTXLHD-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB Cn1ccc2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc21 72400725 TYFYADXGTUQTIY-UHFFFAOYSA-N 322.364 3.592 0 40 DHAB Cc1nc2sccn2c1CN1CCC[C@H](c2nccs2)C1 92788604 APVHHJPETHUEMK-LBPRGKRZSA-N 318.471 3.540 0 40 DHAB CCCn1nc(C)c(CN2CCC[C@@H]2c2cccc(C)n2)c1C 93444954 VOMGCURWBJJXLE-LJQANCHMSA-N 312.461 3.950 0 40 DHAB CN(C)c1ccncc1CNCc1ccc(Cl)cc1Cl 95467218 FUTGPZDLYFXTMU-UHFFFAOYSA-N 310.228 3.744 0 40 DHAB N[C@@H](c1ccccc1)c1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1 95533450 DEUFHSZAADCPOU-ZDUSSCGKSA-N 318.302 3.539 0 40 DHAB COc1cccc(CNC(=O)/C=C(\C)CCc2ccccc2)c1 96315760 OJHSAKDLGZTPIW-DTQAZKPQSA-N 309.409 3.891 0 40 DHAB CCOCc1ccccc1NC(=O)N[C@H]1CC[C@@H](SC)C1 96434248 WZHAPNAXDYEIEQ-UONOGXRCSA-N 308.447 3.629 0 40 DHAB Cc1noc(C)c1NC(=O)NC[C@H](C)Oc1ccccc1Cl 96434396 BAVYLZYTZJUDFX-VIFPVBQESA-N 323.780 3.534 0 40 DHAB Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100809717 GNOJHPCDMYQAHO-CALCHBBNSA-N 318.461 3.921 0 40 DHAB C[C@H](NC(=O)COc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 108869951 IQLFKLHHRFOXPQ-WFGGJUAMSA-N 307.821 3.660 0 40 DHAB COc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OC 113240237 SIDZXXQYQLBOHZ-UHFFFAOYSA-N 314.316 3.766 0 40 DHAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@@H](c2ccn[nH]2)C1 170675480 YLVZCMRNPOLWBC-GOSISDBHSA-N 319.408 3.512 0 40 DHAB O=C(O)CCCCN1CCc2cc(Cl)cc(Cl)c2C1 181572294 QXFIUPZFKFYHLP-UHFFFAOYSA-N 302.201 3.606 0 40 DHAB O=C(COc1ccc(Cl)cc1)Nc1ccc2sncc2c1 188244778 HUZGYMFWCITPCL-UHFFFAOYSA-N 318.785 3.967 0 40 DHAB O=C([C@H]1CC=CCC1)N(CCc1cccs1)C1CCOCC1 206677064 FAZMRVIXVWOSRS-HNNXBMFYSA-N 319.470 3.655 0 40 DHAB CNC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1 212191735 NHZQHMXBTGXGHE-UHFFFAOYSA-N 310.184 3.679 0 40 DHAB COc1ccc2c(c1)[C@H](NC(=O)C1CCCC1)CC(C)(C)O2 223318417 NQBUMAXKDAKRSY-OAHLLOKOSA-N 303.402 3.604 0 40 DHAB CC(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 223723751 BLKLIRZNVWAECI-UHFFFAOYSA-N 323.845 3.942 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 224609872 SFUOOSGEHXJLQY-OAHLLOKOSA-N 315.388 3.569 0 40 DHAB O=C(NCc1cccnc1-c1ccncc1)c1ccccc1Cl 225749267 VJTMWRWRZDHDSR-UHFFFAOYSA-N 323.783 3.727 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)NCCSC2CCCC2)cc1C 225813611 LPZOAETVOBXFTO-HNNXBMFYSA-N 321.486 3.863 0 40 DHAB CCC[C@H](C)NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225918471 JGNIJQFQLPMSNV-LBPRGKRZSA-N 312.417 3.755 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC(=O)CC[C@]34C)[C@@]1(O)CCC2=O 253617177 BFCOSNMGHLCEIQ-INMFKVEZSA-N 318.457 3.672 0 40 DHAB CC(C)Oc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260658765 HQYIMISSIYTOJJ-HEHGZKQESA-N 304.459 3.949 0 40 DHAB COc1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1 390831402 RPNLZUBCQAXKJS-UHFFFAOYSA-N 307.349 3.885 0 40 DHAB Cc1nc(-c2ccc(/C=C3/C(=O)Nc4ccc(F)cc43)cc2)no1 725239956 MQRFUUKJOVTWAG-OVCLIPMQSA-N 321.311 3.677 0 40 DHAB Cc1ccc(CCCN2C[C@@]34CCCC[C@]3(CN(C)C4)C2)cc1 1560237693 CPZULPQFOBZAHZ-SFTDATJTSA-N 312.501 3.735 0 40 DHAB O=S(=O)(c1ccccc1F)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775970631 HBWCFWVIEKGWEX-GJZGRUSLSA-N 321.417 3.622 0 40 DHAB CC(=O)Oc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 60688 DIYYWANCYSSFEO-UHFFFAOYSA-N 323.270 3.883 0 40 DHAB Cc1cccc(Cn2cnc3sc4c(c3c2=O)CCCC4)c1 144647 VPNCRTTZCPVFCB-UHFFFAOYSA-N 310.422 3.694 0 40 DHAB Cc1cc(OC[C@@H](O)CN2CCCC[C@@H]2C)cc(C)c1Cl 1469971 QHCAZSIDWTYHKC-GJZGRUSLSA-N 311.853 3.571 0 40 DHAB C[C@H](CCOC(=O)CN1CCCCC1)CCc1ccccc1 2250641 QNJCZOKHCOOSPU-KRWDZBQOSA-N 303.446 3.675 0 40 DHAB COc1ccc2nc(-n3sc4ccccc4c3=O)sc2c1 3207221 JKZPEUGFTPUVIK-UHFFFAOYSA-N 314.391 3.671 0 40 DHAB COc1cc(SC)ccc1C(=O)Oc1ccc(C(C)=O)cc1 3279699 PCFILTAYBRJJNO-UHFFFAOYSA-N 316.378 3.839 0 40 DHAB COc1ccc(OC)c(/C=C/C(=O)N2CCCc3ccccc32)c1 3445612 XOCRKWBNBUCBRT-FMIVXFBMSA-N 323.392 3.696 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)COc1ncnc2sccc12 3447328 PXCPAJRVZCEIST-UHFFFAOYSA-N 323.377 3.743 0 40 DHAB CCCCN(CCCC)S(=O)(=O)c1ccc(OCC)cc1 4134560 ZDXUFRKDMHOKMS-UHFFFAOYSA-N 313.463 3.676 0 40 DHAB CCCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1 4163371 MOOLEHXDVXTQNW-UHFFFAOYSA-N 324.355 3.933 0 40 DHAB CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1nccs1 4682107 JESHPVVTRWFMBW-LLVKDONJSA-N 319.411 3.794 0 40 DHAB CCn1c(CNC(=O)[C@H](C)Oc2ccccc2)cc2ccccc21 4973464 ZWQVVSCUDGFDDV-HNNXBMFYSA-N 322.408 3.745 0 40 DHAB Cn1c(CNC2CCCCC2)nnc1SCc1ccccc1 5001653 MLSNUBARLGORJD-UHFFFAOYSA-N 316.474 3.530 0 40 DHAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2F)cc1 6285040 HVQULVNKVHOKHG-LBPRGKRZSA-N 302.349 3.664 0 40 DHAB CCCOc1ccc(C(=O)NC2CCCCCC2)cc1OC 6559663 JTJHRNNXNWWRND-UHFFFAOYSA-N 305.418 3.937 0 40 DHAB C[C@H]1CCCCN1CC(=O)Nc1ccccc1C(F)(F)F 7486617 MHXDTKJROKZEHM-NSHDSACASA-N 300.324 3.518 0 40 DHAB Cc1ccc(NC(=S)NCCOc2ccc(C)cc2)cc1 7582718 KYACKMRMBWGBPN-UHFFFAOYSA-N 300.427 3.669 0 40 DHAB COc1ccccc1/C=C/C(=O)NCCSc1ccccc1 8361044 TVPCHZWSVFDZAX-VAWYXSNFSA-N 313.422 3.617 0 40 DHAB O=C(CSc1nc2ccccc2n1C(F)F)c1ccc[nH]1 9314705 ULSIEUNRQGTTID-UHFFFAOYSA-N 307.325 3.735 0 40 DHAB O=C(NCCc1cccc(F)c1)c1cc(F)c(F)cc1Cl 18136700 CQBJWXZLKGGHAI-UHFFFAOYSA-N 313.706 3.730 0 40 DHAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1cccc(F)c1 19540894 PYERVGGCASQOCK-UHFFFAOYSA-N 322.330 3.565 0 40 DHAB Cc1nc(CC(=O)Nc2nc(-c3cccs3)cs2)cs1 21361464 PASKUDOIJHGRNW-UHFFFAOYSA-N 321.452 3.818 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)cc1 21622958 QYDQKHKBTNIGSF-GOSISDBHSA-N 321.380 3.549 0 40 DHAB COCc1ccccc1CNC(=O)c1cccc(C(F)(F)F)c1 25303949 NHFYVPJGYQCWIB-UHFFFAOYSA-N 323.314 3.782 0 40 DHAB Cc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)nc1 27970410 WEZZKCKJQJJGKW-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB O=C(Nc1nc2c(s1)CCCC2)C1(c2ccc(F)cc2)CC1 30771961 RXGJYDLDDLGZTJ-UHFFFAOYSA-N 316.401 3.831 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)c1 32913511 PLIULLOVVZERNC-UHFFFAOYSA-N 324.424 3.517 0 40 DHAB C[C@H]1Cc2ccccc2N1CC(=O)N(C)[C@H](C)c1ccccc1 36437950 AIBCUUJDBNJJKX-JKSUJKDBSA-N 308.425 3.657 0 40 DHAB COc1cccc(CNC(=O)Nc2cccc(Cl)c2F)c1 40103692 CYYMYDPRIFUJER-UHFFFAOYSA-N 308.740 3.809 0 40 DHAB CCN(Cc1cccc(Cl)c1)C(=O)Cc1c(C)noc1C 45395440 BSLKIXCDBMFFHP-UHFFFAOYSA-N 306.793 3.536 0 40 DHAB C[C@@H]1C/C(=C/c2ncc[nH]2)c2nc3ccccc3c(C(=O)O)c2C1 48326923 FGBNZXYHHOOLPM-JPQYHBGPSA-N 319.364 3.779 0 40 DHAB O[C@@H]1CCCC[C@@H]1NCc1ccc(SC(F)(F)F)cc1 51991167 UDBLNKWMZORIJP-QWHCGFSZSA-N 305.365 3.692 0 40 DHAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 55910997 ZFZSLEZEGWFBLR-ZWKOTPCHSA-N 319.420 3.593 0 40 DHAB CCc1cc(I)cc(C)c1Br 57326508 BSOVNNYDQLJJSJ-UHFFFAOYSA-N 324.987 3.925 0 40 DHAB [O-][n+]1c(CN2CCCCC2)nc2cccc3c2c1-c1ccccc1-3 57680052 XLBPYZGSLNDDSB-UHFFFAOYSA-N 317.392 3.502 0 40 DHAB in-vitro Cc1[nH]c2ccc(CNC(=O)N(C)Cc3ccco3)cc2c1C 65032008 ZTAKSXHPEVJYLM-UHFFFAOYSA-N 311.385 3.719 0 40 DHAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3cnn(C)c3)co2)cc1 71799295 CTTKIBUPRMRZRI-GOSISDBHSA-N 322.412 3.721 0 40 DHAB CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(COC)cc1 71916089 PJZXTBQEQLBBEA-SFHVURJKSA-N 312.413 3.841 0 40 DHAB COc1ccc(C)cc1CN1CCCN(C(C)=O)c2ccccc21 76093247 DYWVJRYGVKNZEV-UHFFFAOYSA-N 324.424 3.767 0 40 DHAB COc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 77303297 IYIZICLBCDWABT-AFTVQHQSSA-N 300.398 3.552 0 40 DHAB in-vitro CC(C)(O)CSc1nc(C(F)(F)F)nc2ccccc12 78489814 UFIBDNMZHUCSLU-UHFFFAOYSA-N 302.321 3.512 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccco1)N1CCCSCC1 78972345 POIPWUHXKXVOIH-MRXNPFEDSA-N 316.426 3.518 0 40 DHAB O=C(NC[C@@H]1SCCc2ccccc21)[C@@H]1C[C@@H]1c1ccco1 79018633 VQMULJVTZUGLAK-UXLLHSPISA-N 313.422 3.530 0 40 DHAB Cc1ccc(-c2ncc(C(=O)NOCC(C)C)s2)c(C)c1 89614529 YVQLTPBFEUOGCL-UHFFFAOYSA-N 304.415 3.744 0 40 DHAB Cc1ccc2c(c1)OCCC[C@H]2NCc1cn2ccsc2n1 95421015 DKDYGUPFDBDFQO-OAHLLOKOSA-N 313.426 3.708 0 40 DHAB CC(C)(C)c1cc(N2CCC[C@H]2C(C)(C)O)nc(C(C)(C)C)n1 95450204 RYCNSLKTSNETIG-AWEZNQCLSA-N 319.493 3.811 0 40 DHAB Cc1occc1-c1nnc(SCc2ncoc2C2CC2)n1C 95457499 SRPTUJDNPZIPOX-UHFFFAOYSA-N 316.386 3.541 0 40 DHAB CN(C)c1ccc(C(=O)c2cccc(Br)c2)cc1 95916780 GBVPXWAXJODMEG-UHFFFAOYSA-N 304.187 3.746 0 40 DHAB FC(F)(F)SCCNCc1cccc(Br)c1 95918379 QXLWGUUHMWDRIG-UHFFFAOYSA-N 314.170 3.792 0 40 DHAB CCCOc1ccc(Cl)cc1NC(=O)c1cc(C(C)=O)c[nH]1 95954314 UMVQDBRNZSFGBE-UHFFFAOYSA-N 320.776 3.912 0 40 DHAB C[S@@](=O)c1ccc(CN(Cc2ccco2)C2CCCC2)cc1 95982506 JJDLLPJAPKCDCP-QFIPXVFZSA-N 317.454 3.962 0 40 DHAB COc1ccc(NC(=O)N(C)C[C@H](C)c2nccs2)cc1C 96010559 HCKPDCQNUSPEJL-LBPRGKRZSA-N 319.430 3.728 0 40 DHAB Cc1cc(CNC(=O)c2csc(-c3ccccc3)n2)c(C)o1 96120539 MXIVYMXOBMNTQN-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB O=C(C[C@@H]1CCOC1)N(CCc1ccccc1)Cc1ccccc1 96416385 NHSMZEXPXINSDT-FQEVSTJZSA-N 323.436 3.685 0 40 DHAB Cc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 102859674 BBYQKTMXYKRMRJ-INIZCTEOSA-N 308.385 3.894 0 40 DHAB Cc1nccn1-c1cncc(N2CC[C@@H](C)C[C@H]2c2ccco2)n1 110709343 OKPOGFFMQALOOF-HIFRSBDPSA-N 323.400 3.541 0 40 DHAB OCCc1ccc(OCc2ccc(Br)cc2)cc1 178976754 AIWOOEDUNCABJH-UHFFFAOYSA-N 307.187 3.563 0 40 DHAB CC(C)Oc1ccc(NC(=O)NCc2ccncc2)c(Cl)c1 187249325 OPADDIMHSCMDFE-UHFFFAOYSA-N 319.792 3.844 0 40 DHAB Cc1nc(CC(C)C)oc1C(=O)N(CC(F)(F)F)C(C)C 195579121 XSHICFNILRCVMA-UHFFFAOYSA-N 306.328 3.594 0 40 DHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 222858293 IHBOCHJAKMDBAL-ZIAGYGMSSA-N 303.456 3.526 0 40 DHAB COCc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 224095058 QHHCYINMZWUPTR-UHFFFAOYSA-N 324.424 3.681 0 40 DHAB COc1ccc(CNCc2ccc(Cc3ccco3)n2C)cc1 226021451 FWOJQBAMHXNYNX-UHFFFAOYSA-N 310.397 3.507 0 40 DHAB Cc1cc(O)ccc1CCC1OCC2(CO1)C[C@H]1C=C[C@H]2C1 255189589 QWRPUQGIVFWLLC-UYUBDHNUSA-N 300.398 3.589 0 40 DHAB CC(C)Cn1cnc2c1C1(CCN(C)CC1)Oc1ccccc1-2 306143411 YBTILBCQFKARQA-UHFFFAOYSA-N 311.429 3.519 0 40 DHAB O=C(c1ccc(Br)c(C(F)(F)F)c1)C(F)F 309216666 LEINLBHQTAORDP-UHFFFAOYSA-N 303.024 3.916 0 40 DHAB CC(=O)c1ccc(N2CCc3cccc(C(F)(F)F)c3C2)nc1 528218722 HSFKLVLXEWSMBW-UHFFFAOYSA-N 320.314 3.866 0 40 DHAB Cc1cnc(-c2noc(C[C@H]3C[C@H](C)c4c(C)cccc43)n2)nc1 564266892 PSNIERHYRHNPCB-UONOGXRCSA-N 320.396 3.977 0 40 DHAB CCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O 407908 KUBDUANGTFMYNQ-UHFFFAOYSA-N 301.367 3.883 0 40 DHAB biogenic CCOC(=O)c1sc(NC(=O)CCC2CCCCC2)nc1C 483800 PPPXRFDFABOSNH-UHFFFAOYSA-N 324.446 3.927 0 40 DHAB COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 490379 MGOCGJIZLYGKBE-UHFFFAOYSA-N 320.300 3.575 0 40 DHAB biogenic COC(=O)c1ccccc1NC(=O)/C=C/c1c[nH]c2ccccc12 1500725 RQAVMZIUGVYXKG-ZHACJKMWSA-N 320.348 3.606 0 40 DHAB CCOC(=O)[C@@H]1CCC[C@@H](Oc2ccc(Cl)cc2Cl)O1 1678147 DOLCNRFPZKTJLD-STQMWFEESA-N 319.184 3.831 0 40 DHAB CCCNCCC[C@@H](C)Nc1cc(OC)cc2cccnc12 1873649 OBQPWUVTUAUJNI-CQSZACIVSA-N 301.434 3.824 0 40 DHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 3553654 IVSAWYWFELUEKC-UGSOOPFHSA-N 311.381 3.979 0 40 DHAB COc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 4589775 WTMKRLKOVMHLPY-GDNBJRDFSA-N 313.740 3.693 0 40 DHAB COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C=C[C@@H]12 5004459 WWHOUZIYZYQBEU-QRQLOZEOSA-N 300.398 3.959 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1 5396680 KWJZVASJBYPEHU-UHFFFAOYSA-N 304.393 3.884 0 40 DHAB O=C(/C=C/c1ccccc1)OCc1cn2cc(Cl)ccc2n1 5666707 ZYNINUXFAWUFMF-RMKNXTFCSA-N 312.756 3.744 0 40 DHAB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)O 8368686 VCKWJKLPBVPRFO-VXLYETTFSA-N 313.353 3.526 0 40 DHAB CCc1ccccc1-n1c(S)nnc1COc1ccccc1 13535318 HOVQVVCYYWPMCS-UHFFFAOYSA-N 311.410 3.697 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 14219321 NGJJRBVFYXASHZ-CYBMUJFWSA-N 323.845 3.996 0 40 DHAB C[C@@H]1CCCC[C@H]1N1CCN(CCCc2ccccc2)CC1 19366845 ZZAVOYQAGLDQDC-UYAOXDASSA-N 300.490 3.816 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCc3ccccc32)c1 20482822 SAKAMUZKWJRCBQ-INIZCTEOSA-N 309.409 3.968 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)c1ccccc1 20890392 JTQNXTLKMFAQDH-UHFFFAOYSA-N 319.408 3.695 0 40 DHAB CCCc1ccc(NC(=O)COc2ccc(F)cc2F)cc1 29424514 WKDUTNGBUDDCEW-UHFFFAOYSA-N 305.324 3.935 0 40 DHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)c1ccccc1 29629601 XOJQMBRDTPPXRV-LJQANCHMSA-N 320.392 3.614 0 40 DHAB C[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1cc2ccccc2o1 31705827 QESXKBVIOLIDSQ-NXEZZACHSA-N 315.291 3.577 0 40 DHAB CS[C@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 32484168 QBUZLVMVXNNFEW-NEPJUHHUSA-N 320.483 3.754 0 40 DHAB CCn1cc(C(=O)N(C)Cc2ccccc2OC)c2ccccc21 32784694 YCTAXYSRFLQSDI-UHFFFAOYSA-N 322.408 3.942 0 40 DHAB Cc1nc2cc(NC(=O)[C@H]3CC(=O)c4ccccc43)ccc2s1 38488473 YINBOIIJNSSXBS-AWEZNQCLSA-N 322.389 3.913 0 40 DHAB C[C@H](OC(=O)c1ccc(F)cc1)C(=O)c1cccc(Cl)c1 41125355 UAKOZIIYKNPMIY-JTQLQIEISA-N 306.720 3.907 0 40 DHAB O=C(NCc1ccc(Cl)s1)N(Cc1ccco1)C1CC1 46996123 ZCTFLCIZZLYXPH-UHFFFAOYSA-N 310.806 3.869 0 40 DHAB CCOC(=O)N(C)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 54313396 XZOBEHNVQNHIDL-CYBMUJFWSA-N 302.374 3.574 0 40 DHAB CCN(Cc1cccs1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 57446497 VRKRHKMLJVZFRX-LBPRGKRZSA-N 313.426 3.568 0 40 DHAB O=C(CSCc1ccccn1)N(Cc1ccsc1)C1CC1 58217570 SCDOBJKZUUFTAF-UHFFFAOYSA-N 318.467 3.568 0 40 DHAB C[C@@H]1CCN(C(=O)CN(C)c2ccccc2)[C@@H]2CCCC[C@H]12 59371422 ZZYOEGPAVVOFKS-KBAYOESNSA-N 300.446 3.550 0 40 DHAB COC[C@H](C)N(C)C(=O)c1cnc(-c2ccccc2Cl)s1 64918572 SMBJAYBSAVLLRP-JTQLQIEISA-N 324.833 3.570 0 40 DHAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccco1)C3 72396357 MKPNRHBETYFFIU-UHFFFAOYSA-N 324.336 3.741 0 40 DHAB CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1 84811871 QGIKPKCIJAOYQR-CWRNSKLLSA-N 321.490 3.848 0 40 DHAB CC(C)(C)Oc1ccc(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 95633976 YMVQPYIMCZAIHK-LSDHHAIUSA-N 302.370 3.714 0 40 DHAB CCN(CCO)[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 95934588 FENXSFXFBWZCAT-KRWDZBQOSA-N 317.816 3.578 0 40 DHAB COC(=O)c1ccc2nc(SCc3c(C)noc3C)oc2c1 96409194 XZOPTFGGVXWDME-UHFFFAOYSA-N 318.354 3.512 0 40 DHAB CC[C@@H]1CN(C(=O)Nc2cccc([C@@H](C)OC)c2)CCS1 96434537 VRTUCOLZILKZPX-IUODEOHRSA-N 308.447 3.753 0 40 DHAB CC(C)CN(C(=O)CN[C@H](C)c1ccccc1Cl)C1CC1 97473746 JCFZBJRYRQJLTC-CYBMUJFWSA-N 308.853 3.638 0 40 DHAB C[C@H](C(=O)Nc1ccccc1F)N1CC[C@H]2CCCC[C@@H]2C1 102462861 OECUEFNXBZEQOJ-RBSFLKMASA-N 304.409 3.665 0 40 DHAB COc1ccccc1NC(=O)NCCOc1ccccc1Cl 153934353 YRJSHXLOTUJXMT-UHFFFAOYSA-N 320.776 3.549 0 40 DHAB Cc1ccccc1N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl 364548 JADOTYCCXSLZGS-LBPRGKRZSA-N 323.651 3.875 0 40 DHAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCc1ccccc1 506723 BCPHEDNZTYQJFO-UHFFFAOYSA-N 323.783 3.774 0 40 DHAB O=C1N(c2cccc(Cl)c2)[C@H](c2ccccc2)N2CCCN12 549068 QJOAGIGJWYFXBX-MRXNPFEDSA-N 313.788 3.902 0 40 DHAB CCOc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 619611 NFCHIEMHEMRJDZ-MOPGFXCFSA-N 315.413 3.809 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1 1002322 FVBCXPOWFVHVEH-CYBMUJFWSA-N 313.397 3.757 0 40 DHAB COP(=O)(OC)O/C(C)=C\C(=O)O[C@H](C)c1ccccc1 2036838 XXXSILNSXNPGKG-NLYDNYMLSA-N 314.274 3.612 0 40 DHAB COc1ccccc1CNC(=O)C1(c2ccccc2)CCCC1 2512693 WYVIOYFWINLANX-UHFFFAOYSA-N 309.409 3.823 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1C 3411750 GFWIPGONJPKWPO-UHFFFAOYSA-N 321.380 3.507 0 40 DHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 3893544 UCCZEJKEPKONPP-GBLZOACLSA-N 311.425 3.750 0 40 DHAB Nc1nc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)n1 4106462 KTEMTBPJENMZEZ-UHFFFAOYSA-N 315.279 3.922 0 40 DHAB Cc1cccc(N[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c1 4335189 IIPKNGVLVSEDHZ-HNNXBMFYSA-N 312.394 3.629 0 40 DHAB CCOC(=O)c1cn(Cc2cccc(C)c2)c2ccccc2c1=O 4483304 GNPOWHLWJNXWIN-UHFFFAOYSA-N 321.376 3.535 0 40 DHAB COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C(=O)C[C@@H]12 5004456 MABBDZWYIBJBFO-NEWSRXKRSA-N 316.397 3.519 0 40 DHAB Cn1cc(NC(=O)NCCc2ccc(F)cc2)c2ccccc21 5265739 QSBZCQOEQFNNLS-UHFFFAOYSA-N 311.360 3.682 0 40 DHAB S=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)NC12CC3CC(CC(C3)C1)C2 6361474 ZKIRMNJOJCYFMQ-HUXNUIQUSA-N 318.530 3.856 0 40 DHAB Cc1ccc(-c2nnc(SCCCc3ccccc3)n2N)cc1 6625649 FDSDASYZJYDZSH-UHFFFAOYSA-N 324.453 3.692 0 40 DHAB O=C(NCc1ccccc1)c1csc(-c2ccsc2)n1 7943336 YBCOPGWSCCMVOO-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1COc2ccccc2C1 8113085 OBRKRLHOJVCJMK-LBPRGKRZSA-N 321.298 3.895 0 40 DHAB CC(C)CC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 9141392 YBYXYMZDRSDVDI-UHFFFAOYSA-N 312.348 3.544 0 40 DHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(-c2ccccc2)cc1 11768643 VNNJXDHLHGDGTD-UHFFFAOYSA-N 305.381 3.956 0 40 DHAB Cc1cccn2cc(-c3ccc4c(c3)CCN4C(=O)C(C)C)nc12 12143582 CTBWWTFIYUUYAL-UHFFFAOYSA-N 319.408 3.855 0 40 DHAB Cc1c(C(=O)NCc2ccncc2)oc2c(Cl)cccc12 12554210 XKFQVIBVIJXXKY-UHFFFAOYSA-N 300.745 3.720 0 40 DHAB CC1CCN([C@H](CNC(=O)c2ccoc2)c2cccs2)CC1 12903815 IOTYXMAPWMUFAU-OAHLLOKOSA-N 318.442 3.544 0 40 DHAB O=C(COc1cc2ccccc2cc1C(=O)O)Nc1ccccc1 13049780 DUIOSQCEUTZNRE-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(Cl)cc1 13169643 XUYUTGHOVBWRAT-WEVVVXLNSA-N 315.756 3.999 0 40 DHAB CCNC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 14111305 IJIJVBJJNGBOBZ-UHFFFAOYSA-N 318.376 3.842 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCc2ccccc21 14909157 HMPQMMIFZFALKS-UHFFFAOYSA-N 316.404 3.983 0 40 DHAB CC(C)[C@@H](C(=O)NCc1cccnc1)c1ccc(Cl)cc1 17168845 DZQVQFIYTRIDBP-MRXNPFEDSA-N 302.805 3.791 0 40 DHAB Cc1cccc(-c2nnc3sc(Cc4ccccc4)nn23)c1 17172990 UFFGBRCWENSHQZ-UHFFFAOYSA-N 306.394 3.752 0 40 DHAB COc1ccc2c(C)c(C(=O)N[C@@H](C)Cc3ccccn3)oc2c1 19565755 BWFFIMOCEIRVHG-LBPRGKRZSA-N 324.380 3.506 0 40 DHAB O=C(c1cccs1)N1CCCC[C@@H]1CCN1CCCCC1 21170449 CBWLDACJAQNNJU-OAHLLOKOSA-N 306.475 3.619 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 22739752 HJXMOVUYCLLMGW-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB C[C@H](NC(=O)c1ccccc1F)c1ccc(OC(F)F)cc1 24831238 MOVZECFBAGTQAR-JTQLQIEISA-N 309.287 3.918 0 40 DHAB O=C(NCCc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 26294141 LLJICXMXERTZKL-KBPBESRZSA-N 314.351 3.649 0 40 DHAB FC(F)(F)c1ccc(Cl)c(Nc2ncnc3n[nH]cc23)c1 31809183 DFDYBZDKZTZWLV-UHFFFAOYSA-N 313.670 3.769 0 40 DHAB O=C(NCc1cccs1)c1ccc(OCc2cccnc2)cc1 32064155 OVKBLWDBEDEWFX-UHFFFAOYSA-N 324.405 3.652 0 40 DHAB CN(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F 32809544 JWMHCBRDLYCNRF-UHFFFAOYSA-N 316.311 3.505 0 40 DHAB CCc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C)noc2n1 36621610 CINBLCHDVOKERT-UHFFFAOYSA-N 317.295 3.624 0 40 DHAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)c(C)c3)C2=O)cc1 36635571 GMODJMZZRWEBPO-GOSISDBHSA-N 322.408 3.610 0 40 DHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1cccc(F)c1 40150195 UBPRSJBRZRRBJX-HNNXBMFYSA-N 315.392 3.585 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CCCC[C@@H]1C(F)(F)F 40553256 NWOQMBOLOUFMBT-IUCAKERBSA-N 319.352 3.723 0 40 DHAB Cc1ccsc1CN(C)C(=O)CCC(=O)c1ccccc1 47532061 SFZIOXWZHLHASU-UHFFFAOYSA-N 301.411 3.678 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2cc(NC(N)=O)ccc2Cl)c1 48302657 IJMMYFFJBXXYOU-UHFFFAOYSA-N 317.776 3.700 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(C)c(C)o2)c1 49983002 CMPKRYRYCFPIHG-INIZCTEOSA-N 316.401 3.646 0 40 DHAB Cc1noc([C@@H](C)N2CCC(Oc3c(C)cccc3C)CC2)n1 51991635 YRIYRRQGXDZNOA-CQSZACIVSA-N 315.417 3.599 0 40 DHAB COc1ccc(-c2nnc([C@H](C)N3C[C@@H](C)C[C@H](C)C3)o2)cc1 52804399 QCBYCAKLDSMCBZ-IHRRRGAJSA-N 315.417 3.784 0 40 DHAB CCCN(C(=O)c1cccc[n+]1[O-])[C@@H](C)c1cc2ccccc2o1 53371947 JDKHWLUPXDBFNS-AWEZNQCLSA-N 324.380 3.680 0 40 DHAB O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CCCCC1 58326500 PSDDHHFONWRMEI-KBPBESRZSA-N 308.219 3.565 0 40 DHAB Cc1c([C@H](C)NCc2cscn2)cnn1-c1ccc(F)cc1 62260071 FEPGWBXZCJTUHP-NSHDSACASA-N 316.405 3.627 0 40 DHAB Cc1cc(C)cc(C[C@@H](CC(=O)Nc2ccccc2)C(=O)O)c1 71405942 NWCKMFLTGGLMFN-INIZCTEOSA-N 311.381 3.576 0 40 DHAB Cn1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)cn1 71796955 FGMHDFSXWFPDSB-AWEZNQCLSA-N 311.410 3.612 0 40 DHAB O=C(NCCN1CCCCCC1)c1cc2c(F)cccc2s1 71884663 ONOJOXOEDSLKDW-UHFFFAOYSA-N 320.433 3.646 0 40 DHAB CC(C)(C)OC(=O)Nc1ccc2c(Br)nccc2n1 72206803 VVVVZTYKNROEPL-UHFFFAOYSA-N 324.178 3.739 0 40 DHAB CCO[C@H](C)c1nc(CNc2cccc3c2OCCO3)cs1 79065959 ACVLYWDFFXMDAT-LLVKDONJSA-N 320.414 3.624 0 40 DHAB CCCN(CC(F)F)C(=O)c1ccc(Oc2ccncc2)cc1 79309519 DAPIZUGGFQUNHW-UHFFFAOYSA-N 320.339 3.991 0 40 DHAB Cc1cccn2cc(C[S@](=O)Cc3ccc(Cl)s3)nc12 83944385 XASSPWHNCZZMKR-HXUWFJFHSA-N 324.858 3.807 0 40 DHAB c1nc(C2CC2)c(-c2nc(-c3ccc4c(c3)CCO4)no2)s1 89647643 OBGUHDUIJGCGGX-UHFFFAOYSA-N 311.366 3.672 0 40 DHAB Cn1cnnc1-c1cncc(NCc2cc3ccccc3s2)c1 93110482 YIWOWDQUXDRKBW-UHFFFAOYSA-N 321.409 3.704 0 40 DHAB COc1ccccc1[C@@H](C)NCc1ccc(F)c(CN(C)C)c1 95422496 SCDNEGNOBNEELL-CQSZACIVSA-N 316.420 3.747 0 40 DHAB COc1ccc(C[C@@H](C)N[C@H](C)c2ncc(C)s2)cc1OC 97017229 YCFROBBDZUUCHR-DGCLKSJQSA-N 320.458 3.751 0 40 DHAB Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](CCC(=O)O)C1 97045096 BITDMACSFFRSLV-HZPDHXFCSA-N 317.429 3.592 0 40 DHAB O=C(NCCc1csc(-c2ccccc2)n1)C1[C@@H]2CCC[C@@H]12 101528046 HEQYNDNBQKLIHL-HUUCEWRRSA-N 312.438 3.515 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1ccc(C)cc1 216420891 RXQPMUUXKQWQRZ-INIZCTEOSA-N 311.425 3.983 0 40 DHAB CCOc1ccc(C[C@@H](Sc2ccccc2)C(=O)O)cc1 225108163 VOCWDIMPSBNTKJ-MRXNPFEDSA-N 302.395 3.873 0 40 DHAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1 225781202 YEXKESNEFDYEOJ-CQSZACIVSA-N 300.427 3.749 0 40 DHAB CCCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCN2)n1 256054257 VPYMCSCAYLSONQ-CYBMUJFWSA-N 321.808 3.993 0 40 DHAB O=C(NCc1ccc(-c2ccoc2)nc1)c1c(F)cccc1F 390830837 NTLWNRPDXQYWTK-UHFFFAOYSA-N 314.291 3.550 0 40 DHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1c(F)cccc1F 408703470 SFDPNJFKCCSPEJ-OAHLLOKOSA-N 321.323 3.770 0 40 DHAB Cc1cccc(CC(=O)N2CCC(Oc3ccsc3)CC2)c1 575621085 XNKMFXRDALDGNU-UHFFFAOYSA-N 315.438 3.669 0 40 DHAB C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)[C@H](C)OCc1ccccc1 585093639 UIDSVGUKZLKINS-ILRDRHFLSA-N 303.446 3.527 0 40 DHAB CO[C@H]1CN(Cc2cscn2)CC[C@@H]1Cc1cccc(C)c1 643914184 NUKNTZWTUCKBTE-AEFFLSMTSA-N 316.470 3.531 0 40 DHAB Cc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 56177 GDCBPCTXDYMPNA-UHFFFAOYSA-N 307.349 3.766 0 40 DHAB biogenic,in-vitro Cc1[nH]c2ccccc2c1CCNC(=O)c1c(F)cccc1F 92253 UCHOEDRDLQLUBU-UHFFFAOYSA-N 314.335 3.727 0 40 DHAB biogenic,in-vitro O=S(=O)(Nc1cccc2ccccc12)c1ccc(F)cc1 156189 SHDXDMZWPDHABV-UHFFFAOYSA-N 301.342 3.780 0 40 DHAB CCc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 502335 PXOCUEBXOBJVRY-UHFFFAOYSA-N 308.425 3.768 0 40 DHAB Cc1ccc(OCC(=O)Oc2cccc3cccnc23)cc1C 859515 JXHURZQJCRSDGC-UHFFFAOYSA-N 307.349 3.836 0 40 DHAB Cc1ccc(S(=O)(=O)C(=S)Sc2ccccc2)cc1 1562785 QCYVWUVJNCVRJZ-UHFFFAOYSA-N 308.449 3.846 0 40 DHAB C[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H]1OC(=O)C(Cl)=C1Cl 1622421 BAHJXRKPPQZQDT-QTTZVWFDSA-N 319.571 3.773 0 40 DHAB CC(C)[C@@H](CCNC(=O)[C@H]1CCOC(C)(C)C1)c1ccco1 2150720 VLSUZWJTONYQIG-LSDHHAIUSA-N 307.434 3.731 0 40 DHAB biogenic CC(=O)Nc1ccc(C(=O)OCc2c(F)cccc2Cl)cc1 2627808 GFPZSDFMCXPLBN-UHFFFAOYSA-N 321.735 3.795 0 40 DHAB CCCc1nc2ccccc2n1C[C@H](O)COc1ccccc1C 3140917 DXGPPDFIZTWUSW-INIZCTEOSA-N 324.424 3.737 0 40 DHAB CCCOc1ccccc1NC(=O)c1ccc(C(=O)OC)cc1 3207513 BYYFOOLUCHXLCM-UHFFFAOYSA-N 313.353 3.514 0 40 DHAB CCOc1ccccc1OCCC(=O)Nc1cccc(OC)c1 3341540 MNKSREVLWGKJBO-UHFFFAOYSA-N 315.369 3.502 0 40 DHAB Cc1ccc(CNC(=O)COc2ccc(Cl)c(C)c2)cc1 3443769 BUARKXPGXVBVCR-UHFFFAOYSA-N 303.789 3.652 0 40 DHAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1 4242661 NPWAMYCCOFXXHD-VIFPVBQESA-N 309.774 3.586 0 40 DHAB CC1=C(C)C[C@@H](C(=O)Nc2c(C)cccc2C)[C@H](C(=O)O)C1 4651520 ZTXFNELASGUFNI-HUUCEWRRSA-N 301.386 3.689 0 40 DHAB CCC[C@@H](CC(=O)NCc1cccc(Cl)c1)n1ccnc1 5267235 SZHSEZODDYOTKP-HNNXBMFYSA-N 305.809 3.584 0 40 DHAB O=C(Nc1ccccc1C(=O)O)c1cc(Cl)ccc1Cl 5867491 HRDUKTWWAGKPPH-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB Cc1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1 6218589 HDOZZMBXVFOHRO-UHFFFAOYSA-N 323.314 3.709 0 40 DHAB C[C@@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)OC1=O 6266340 XKRMXHJZTCMZBQ-DJGLVPNLSA-N 320.473 3.932 0 40 DHAB Cc1nc(S[C@@H](C)C(=O)NC2CC2)n(C2CCCCC2)c1C 6973369 MBMBHLBWEARARX-ZDUSSCGKSA-N 321.490 3.764 0 40 DHAB Cn1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)n1 7696815 CXHGDRPBJQYSQY-UHFFFAOYSA-N 305.381 3.581 0 40 DHAB c1csc(-c2cc(CSc3nnc4ccccn34)no2)c1 7725934 VBDYNERTJQRMLC-UHFFFAOYSA-N 314.395 3.738 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 8427777 QWOVCZWLNWLVGG-NVXWUHKLSA-N 322.408 3.543 0 40 DHAB COc1ccc2cc(C(=O)NCc3ccccc3OC)ccc2c1 9253381 ANEGUTWAMXSVDA-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB O=C(Nc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12573712 ZNMKHZKGYIIHIZ-MRXNPFEDSA-N 306.369 3.932 0 40 DHAB C[C@H](NC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1 12758049 LQMKZXWWGUSCMT-LBPRGKRZSA-N 304.340 3.568 0 40 DHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSC(C)(C)C 13709814 OLDGJLQTTFMNSU-LLVKDONJSA-N 315.866 3.755 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 14737982 KVILFADKFUXQBD-IAGOWNOFSA-N 311.425 3.900 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1C 20107323 FETNKLNTVQPBAE-MRXNPFEDSA-N 309.409 3.656 0 40 DHAB COc1ccccc1OCC(=O)Nc1cccc2ccc(C)nc12 21525225 ZOBCMWKVIJJCBT-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB O=C(CCC(=O)c1cccs1)Nc1nc(C2CC2)cs1 23135033 LMJYHVNVQUBVIG-UHFFFAOYSA-N 306.412 3.684 0 40 DHAB Cc1ccc(OCCNC(=O)N[C@H](C)c2cccs2)c(C)c1 26243338 UEENRUUTTSDOLL-CQSZACIVSA-N 318.442 3.804 0 40 DHAB COc1cccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)c1 29505255 CDQKEABRWHHLGM-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB O=C(CCc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1F 31873728 HHWBKKDEIUUWHJ-UHFFFAOYSA-N 315.241 3.953 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 32461895 UUNSCIJGWCUKCH-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB COc1ccc(CN(C)Cc2nc3ccccc3nc2C)cc1 32751359 OFUUDGIMQRVRER-UHFFFAOYSA-N 307.397 3.579 0 40 DHAB CC[C@H](C)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 32895977 XOTTXDJOSDOLAP-VIFPVBQESA-N 304.371 3.523 0 40 DHAB CCOc1ccccc1NC(=O)NCCCOC1CCCCC1 40098753 XMISGGJREDPQCO-UHFFFAOYSA-N 320.433 3.946 0 40 DHAB COc1ccccc1C(=O)Nc1cccc(Oc2cnccn2)c1 40510083 ROVQDDYHPUXMAB-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB CCCCCNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184896 CLEXXEUOIDEMRB-UHFFFAOYSA-N 321.808 3.629 0 40 DHAB COc1ccc(C(=O)c2ccccc2)cc1NC(=O)CC(C)C 41365876 ZWABVYDNHVOAOI-UHFFFAOYSA-N 311.381 3.911 0 40 DHAB O=C(Nc1ccc2c(c1)OCCO2)Nc1cccc2cccnc12 41450658 FDXFHDIYIWWFBF-UHFFFAOYSA-N 321.336 3.650 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Oc2ccc3c(c2)CCC(=O)N3)C1(C)C 42887301 BYQDQLKEODSFHT-YOEHRIQHSA-N 313.397 3.715 0 40 DHAB O=c1ccc(-c2ccccc2F)nn1Cc1ccccc1Cl 44900498 QAMBTAILBFITES-UHFFFAOYSA-N 314.747 3.751 0 40 DHAB CCOC(=O)c1cc2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2s1 46445967 MZUSERNFBIVZTK-CABZTGNLSA-N 303.383 3.673 0 40 DHAB COC(=O)c1cccc(C(=O)N[C@@H](C)c2cc(C)sc2C)c1 48236768 RNIYXNANWGADJV-NSHDSACASA-N 317.410 3.643 0 40 DHAB CN1C[C@@H](C(=O)c2cccs2)[C@@H](c2ccc(Cl)cc2)C1 52525320 DQDLEPZVHJFUCX-ZIAGYGMSSA-N 305.830 3.930 0 40 DHAB O=C(c1cc(Cl)c[nH]1)N1CCC(COc2ccccc2)CC1 55423976 GGZRPAMGWGXBKX-UHFFFAOYSA-N 318.804 3.599 0 40 DHAB O=C(c1cccc2ccccc12)N1CCC(N2CCCCC2)CC1 58248635 RCFBIMIXYLFTER-UHFFFAOYSA-N 322.452 3.930 0 40 DHAB COCc1nc(-n2ccnc2)c2c(-c3ccccc3)csc2n1 60277599 ODLZRDNREQOEJV-UHFFFAOYSA-N 322.393 3.690 0 40 DHAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)O)c12 68576737 YZWDPRPZKOKINM-UHFFFAOYSA-N 322.242 3.915 0 40 DHAB in-vitro Cc1c(NC(=O)N[C@@H](C)c2cccnc2)cccc1OC(F)F 69774987 VIKVSWGTABQKAL-NSHDSACASA-N 321.327 3.874 0 40 DHAB O=C(O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 71978967 MWXCWRZVUVDGSI-HNNXBMFYSA-N 300.745 3.732 0 40 DHAB CC[C@@](C)(NCc1cccc(NC(C)=O)c1)c1nc(C)cs1 72864000 UKLDWOJWAUYRCV-QGZVFWFLSA-N 317.458 3.825 0 40 DHAB CCOCc1ccc(NC(=O)Nc2cccnc2Cl)cc1 75545840 YCRKLTFZTRHOGZ-UHFFFAOYSA-N 305.765 3.916 0 40 DHAB Cc1ccc(CC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cn1 76093675 XJBNZQFEGJUQOO-YJYMSZOUSA-N 312.388 3.681 0 40 DHAB Cc1cnc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)s1 89702427 RSKXIPISYPAGHD-JOYOIKCWSA-N 323.443 3.507 0 40 DHAB C[C@@H]1CCN(C(=O)c2ncncc2Cl)c2ccccc2S1 89930054 NSQYHMGCWNUASV-SNVBAGLBSA-N 319.817 3.661 0 40 DHAB CC[C@H](c1ccncc1)N(C)Cc1nnc(-c2cccs2)o1 89947967 WBYOVJCTZIPUIW-CYBMUJFWSA-N 314.414 3.776 0 40 DHAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)c1ccccc1Cl 89948709 QFVBRDJUFGIEAY-QEORTHHSSA-N 308.853 3.638 0 40 DHAB c1ccc(-c2n[nH]cc2CN2CCC[C@H](c3nccs3)C2)cc1 92788602 UYYYEWGRXNOJRQ-HNNXBMFYSA-N 324.453 3.913 0 40 DHAB CO[C@@H]1CCN(Cc2nccs2)C[C@@H]1Cc1cccc(C)c1 96110200 RKZLCRJSTNEONC-DLBZAZTESA-N 316.470 3.531 0 40 DHAB COc1ccccc1-c1nnc(CNc2cccc(F)c2C)o1 96472198 UHJFQJKNUBRMHA-UHFFFAOYSA-N 313.332 3.805 0 40 DHAB Cc1cc2cc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)ccc2[nH]1 97113246 DTCSFXVTDDCEMY-QGZVFWFLSA-N 323.400 3.959 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)c1c2n(O)c(-c2ccc(Cl)cc2)[n+]1[O-] 100956302 YTLRTAWYZSWHRN-SJCJKPOMSA-N 318.804 3.854 0 40 DHAB C[C@H](OC(=O)Oc1ccccc1)[Si](C)(C)c1ccccc1 195760899 LNPSDOXJCCLFHA-CQSZACIVSA-N 300.430 3.745 0 40 DHAB COc1ccc(C(N)=O)cc1CSc1ccc(Cl)cc1 224344170 RSDIHQZOKGEFAU-UHFFFAOYSA-N 307.802 3.740 0 40 DHAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(C)cc1 224681867 SQHPARISDQPSDG-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1C1CCCC1 225004746 WGWUYEILIXJMRZ-HOTGVXAUSA-N 313.426 3.590 0 40 DHAB CCc1ccc(CC(=O)NCc2cccc(OC(C)C)c2)cc1 225096425 OHRSYCAYGYUYTO-UHFFFAOYSA-N 311.425 3.895 0 40 DHAB COc1ccc(NC(=S)NC2CCCCC2)c2cccnc12 225279459 UDMXCHGWSYCJDF-UHFFFAOYSA-N 315.442 3.863 0 40 DHAB CNC(=O)c1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 225475504 PFHHDYIDJDMQLC-UHFFFAOYSA-N 310.184 3.679 0 40 DHAB CN(C)c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl 226261249 UOCHBWOFVWFFHC-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB COc1ccc(C(=O)c2ccc3c4c(cccc24)CC3)cc1N 226295834 ZYRSEUCJIGPAOY-UHFFFAOYSA-N 303.361 3.760 0 40 DHAB C[n+]1cccc(-c2nc3ccc(Br)cc3s2)c1 226776731 TXVQARKKWGTYRC-UHFFFAOYSA-N 306.208 3.550 0 40 DHAB CCCOc1ccccc1C(=O)Nc1ccc(OC)cc1OC 253373360 IOMFPVSZZIEBHK-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB CC[C@H](C)n1cc(Br)c(COCC(F)(F)F)n1 408716394 MNNNNUNKGSNPDF-ZETCQYMHSA-N 315.133 3.696 0 40 DHAB O=C(CCCn1cccc1)N[C@@H]1CCCc2c1[nH]c1ccccc21 524732221 ONZLRMSPCDXKTD-GOSISDBHSA-N 321.424 3.943 0 40 DHAB biogenic CC[C@H]1C[C@H](NC(=O)NCc2ccccc2CC(C)C)CCO1 528020864 DRBNPWXDAWEQNA-MSOLQXFVSA-N 318.461 3.642 0 40 DHAB CCc1cccc2sc(N3CC(Cn4ccnc4C)C3)nc12 1889186480 MBXSAQQUTUDYJK-UHFFFAOYSA-N 312.442 3.500 0 40 DHAB C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl 74527 GPLHTAGCEQMINT-SECBINFHSA-N 308.230 3.557 0 40 DHAB CCOc1ccc(NC(=O)c2c(N)sc3c2CCCC3)cc1 127251 GBPZBPPLTYFSPO-UHFFFAOYSA-N 316.426 3.860 0 40 DHAB C[C@@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)O 131666 CRMPAZDONIQUMT-SECBINFHSA-N 316.407 3.924 0 40 DHAB CC(C)N1C(=O)N(c2ccc(Cl)cc2)[C@](C)(O)CC1(C)C 494793 PCPQLMSPFDUHGV-MRXNPFEDSA-N 310.825 3.868 0 40 DHAB O=C(c1ccc(Cl)cc1)c1cc2c(cc1Cl)OCCO2 1455713 BZQTYRGCAKHXNO-UHFFFAOYSA-N 309.148 3.996 0 40 DHAB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(C)c3C)CC2=O)cc1 1461454 VKVCHXAZNQQAAD-INIZCTEOSA-N 323.392 3.570 0 40 DHAB Cc1ccccc1N1CCN(C(=S)c2cccs2)CC1 1730959 PPVNETWUAMGTTK-UHFFFAOYSA-N 302.468 3.554 0 40 DHAB O=C(Oc1ccc(C(=O)c2ccccc2)c(O)c1)c1ccccc1 1736042 CNAILFQALPMJFF-UHFFFAOYSA-N 318.328 3.842 0 40 DHAB COc1cccc2[nH]c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc12 5204863 YEJOGCLGMGJEFJ-UHFFFAOYSA-N 324.424 3.875 0 40 DHAB CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@@H]1c1ccccc1 5699193 NFOFODLZYVUMFC-CTNGQTDRSA-N 323.436 3.954 0 40 DHAB COc1c(C)cccc1C(=O)Nc1ccc(CN2CCCC2)cc1 5981845 ZFWAFBJGFSZCRX-UHFFFAOYSA-N 324.424 3.852 0 40 DHAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 6339329 FHKWUHHZOXQRTG-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB CC(=O)c1sc(NC(=O)c2ccncc2)nc1-c1ccccc1 7799962 XAMGNXUXJBLUEP-UHFFFAOYSA-N 323.377 3.660 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(F)c1 7917733 GNOYAWQVCQGDJQ-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB O=C1NC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccco1 9331247 UROZNWQJLRXCRB-KPKJPENVSA-N 307.136 3.504 0 40 DHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccncc1 12542811 GAHJIEZUMDHGPA-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12559928 KXQSBXCRMMIZCV-FMIVXFBMSA-N 322.339 3.865 0 40 DHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1ccccc1 12806196 CNWSNZSSJSLCTJ-SFHVURJKSA-N 309.413 3.645 0 40 DHAB Cc1cc(C)c(OCC(=O)Nc2nc3c(s2)CCC3)c(C)c1 12950054 MFMHDXCEEPFKFU-UHFFFAOYSA-N 316.426 3.575 0 40 DHAB COc1ccccc1[C@@H](CCNC1CCN(C)CC1)C(C)C 13684577 FOSREHFWSIFXJJ-KRWDZBQOSA-N 304.478 3.509 0 40 DHAB Cn1c(Cc2cccs2)nnc1SCc1cccc(F)c1 14112778 UOCGMOQJPXGHQM-UHFFFAOYSA-N 319.430 3.899 0 40 DHAB c1coc([C@H](CNc2ncnc3ccccc23)N2CCCCC2)c1 14165414 MGADAHVNGBYYMX-KRWDZBQOSA-N 322.412 3.862 0 40 DHAB CC(C)[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 15550253 DWWAMDAYFHIACP-UXHICEINSA-N 322.452 3.993 0 40 DHAB Cc1cc(C)c(C)c(OC[C@H](O)CN(C)C2CCCCC2)c1 16779369 VJEUEFGJNQDZJV-GOSISDBHSA-N 305.462 3.616 0 40 DHAB O=C(C1[C@H]2CCCC[C@@H]12)N1CCC(Oc2cccc(F)c2)CC1 19294215 CXAULPJWYKPJTL-JWTNVVGKSA-N 317.404 3.632 0 40 DHAB COCc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCCC2 19594267 FTZSIXZAMFOAFQ-UHFFFAOYSA-N 311.360 3.561 0 40 DHAB Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](c4ccccc4)C3)c2c1 19657082 GEVYKZVGJAJRKC-OAHLLOKOSA-N 305.381 3.501 0 40 DHAB Cc1cc(N)ccc1NC(=O)COc1ccccc1C(C)(C)C 19736433 BSCVEUJZTCQPRE-UHFFFAOYSA-N 312.413 3.892 0 40 DHAB CSc1ccc([C@H](C)NC(=O)Cc2cccc(F)c2)cc1 19934998 OXULYXHJHFBOMT-LBPRGKRZSA-N 303.402 3.968 0 40 DHAB OCCSc1ccc(Br)c(Cl)c1Cl 22124725 FGQQEXBQWQYMPG-UHFFFAOYSA-N 302.020 3.840 0 40 DHAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCc2ccccc21 22737590 CWCXPGOQHAZNMO-UHFFFAOYSA-N 321.405 3.738 0 40 DHAB CSc1nnc(C(C)C)c2cnn(-c3ccc(F)cc3)c12 23137689 YBWKFBKJRADMKR-UHFFFAOYSA-N 302.378 3.800 0 40 DHAB O=C(c1ccccc1Cl)N1CCO[C@@H](c2ccccc2)C1 23896345 RGXCTLWVVXJQFM-MRXNPFEDSA-N 301.773 3.554 0 40 DHAB Cc1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(C)c23)c(C)c1 36613769 KDMYOSDDQCFIRS-ZDUSSCGKSA-N 323.396 3.947 0 40 DHAB C[C@H]1CCCN(Cc2c(C(=O)O)sc3cccc(F)c23)C1 37336441 XITDJPRIRILQMC-JTQLQIEISA-N 307.390 3.971 0 40 DHAB COc1ccc(OCCNc2ccc(OC(F)F)cc2)cc1 40005457 GOTRVOPDCSHMMK-UHFFFAOYSA-N 309.312 3.788 0 40 DHAB Cc1ccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 40494087 MKJQRWCCVUQTIX-HNNXBMFYSA-N 317.454 3.592 0 40 DHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1Cl 44253915 BGGNWNNIGJRQCJ-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(F)cc1Cl 44575082 BMDPFVJRYLYMKA-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB COc1ccc(SCC(=O)Nc2cccc(C)c2)cc1OC 44844326 ZPRLFIZCWZGGCN-UHFFFAOYSA-N 317.410 3.743 0 40 DHAB Cc1cc(-c2csc(NC(=O)[C@@H](C)OCC3CC3)n2)c(C)o1 58438913 UTAPMAVKTLPYTA-LLVKDONJSA-N 320.414 3.774 0 40 DHAB CC(=O)Nc1ccc(OC(=O)c2cc(C)n(C3CC3)c2C)cc1 60915740 MJTZOQGMGYITBT-UHFFFAOYSA-N 312.369 3.617 0 40 DHAB CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1 67056728 WAZQEWCLKXTHHK-RYUDHWBXSA-N 318.760 3.634 0 40 DHAB Cc1ccc(-n2cc(C(=O)NCCC3=CCCCC3)nn2)cc1C 67261859 HBEHNZARDNGMDL-UHFFFAOYSA-N 324.428 3.504 0 40 DHAB C[C@@H](c1c(F)cccc1F)N1CCc2c(ncn2C2CC2)C1 69461700 JXAPAZJTUVZWNE-NSHDSACASA-N 303.356 3.616 0 40 DHAB CCC[C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 69670228 IAUJYJZCZLNYLC-AWEZNQCLSA-N 308.491 3.513 0 40 DHAB CC(C)[C@@H](NC(=O)N1CCCCCCC1)c1nc(C2CC2)no1 69874358 FGZJOLMPFQRECE-CQSZACIVSA-N 320.437 3.620 0 40 DHAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCC2 72234003 ZISBSXXNUUXZAY-SFHVURJKSA-N 323.440 3.503 0 40 DHAB Cc1ncsc1CCSc1nnc(-c2ccccc2)n1C 77906628 OELFZLDOBSZOHU-UHFFFAOYSA-N 316.455 3.582 0 40 DHAB Cc1ncsc1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 88217797 LZEZTKOOQCTBOH-GFCCVEGCSA-N 315.442 3.543 0 40 DHAB Nc1cccc(-c2nc(-c3cccc(OC(F)F)c3)no2)c1 89262394 LLQXSRJEPSPKAA-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB CCN(Cc1cccs1)C(=O)c1cc2c(cc1O)CCCC2 95978063 SIHJGGGHKCBQJR-UHFFFAOYSA-N 315.438 3.995 0 40 DHAB COC1CCN(c2ccc(NC(=O)c3ccsc3)cc2)CC1 96104457 JHNZJWWKBZAYFP-UHFFFAOYSA-N 316.426 3.616 0 40 DHAB C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96241567 OWHVAYMZHLVODG-HNNXBMFYSA-N 306.409 3.763 0 40 DHAB c1ccc(CCc2nc3nccc(-c4ccsc4)n3n2)cc1 96344136 NVCIAOFPGPWMDE-UHFFFAOYSA-N 306.394 3.638 0 40 DHAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1scnc1Cl 96425347 BHELMCUJNUEFKA-SNVBAGLBSA-N 321.833 3.672 0 40 DHAB CCc1cnc([C@@H](C)NCc2nnc(-c3cccs3)o2)s1 96502755 OXNHFALFUZXRIR-SECBINFHSA-N 320.443 3.668 0 40 DHAB O=C(Nc1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1)c1ccoc1 100794112 PIPBJBLODGKCFL-GDZNZVCISA-N 322.364 3.683 0 40 DHAB Cc1ccc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)cc1C 101984460 DYOCAVFNXZPCON-YJBOKZPZSA-N 307.393 3.987 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 103051425 ZVIFKIHTQYLPRS-UJHHCITNSA-N 301.430 3.703 0 40 DHAB CC1=CCC[C@@H](C)[C@H]1CNC1CCN(C(=O)CC(C)C)CC1 191096304 QJYXBDCTBAXQDV-AEFFLSMTSA-N 306.494 3.606 0 40 DHAB C[C@H](CNc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1 195573139 OKNCQFUIHNUDDY-CYBMUJFWSA-N 321.417 3.586 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccco1 206863072 SPWFWDPMRQEOJW-OJXHRBAXSA-N 317.410 3.519 0 40 DHAB Cc1ccc(COc2ccc(-c3nnc(N)o3)cc2Cl)cc1 216815864 BYSXTZMMZPOZTQ-UHFFFAOYSA-N 315.760 3.860 0 40 DHAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)[nH]1 222588045 KPWJNUCQURHGGQ-KNXALSJPSA-N 312.442 3.616 0 40 DHAB C[C@H]1CCCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)C1 225855818 BSSFHXIWHZBOMI-GJZGRUSLSA-N 301.430 3.591 0 40 DHAB O=C(CCCn1cc(-c2ccc(F)cc2)cn1)NC1CCCC1 227166933 SYQMKJDSPFZGKE-UHFFFAOYSA-N 315.392 3.528 0 40 DHAB Cc1cc(OCc2ccccc2)c(CO)cc1Br 307651584 IUVSMUQEJOIPDF-UHFFFAOYSA-N 307.187 3.829 0 40 DHAB CCN(C(=O)Nc1ccccc1F)[C@@H](C)[C@@H](O)c1ccccc1 585086371 LQZKLYOIPWMQHK-SUMWQHHRSA-N 316.376 3.802 0 40 DHAB CCOCC[C@H]1CCOC12CCN(CCc1ccccc1)CC2 585103498 BJBUBMJGFJPVBA-IBGZPJMESA-N 317.473 3.527 0 40 DHAB O=C(CCCC(=O)N1CCC2(CC1)CC2(F)F)c1ccccc1 675008055 SIIDNMRDWWCTFN-UHFFFAOYSA-N 321.367 3.687 0 40 DHAB Cc1cccc(C)c1NC(=O)c1ccc2nc(C(C)(C)C)cn2n1 1888904157 CEJJMCOXOHSVHA-UHFFFAOYSA-N 322.412 3.896 0 40 DHAB CC[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)OC 84825 ODLKDTZHGZCMIK-JTQLQIEISA-N 322.455 3.614 0 40 DHAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(N)=O)cc1 2648428 CCHNOJMRRNZFNW-UHFFFAOYSA-N 311.772 3.600 0 40 DHAB Cc1nccn1C(=O)c1ccc(COc2cccc(Cl)c2)o1 2764410 ZKEZFRBPUNDKSH-UHFFFAOYSA-N 316.744 3.705 0 40 DHAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c(C)o1 3317909 LNJPKKVRWUOHRG-UHFFFAOYSA-N 315.369 3.815 0 40 DHAB CC(C)(C)NC(=O)COc1cc(Cl)c(Cl)cc1Cl 3450781 RCHQZXPGYZVKOI-UHFFFAOYSA-N 310.608 3.940 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 4501737 ZWECBIDYVBOBFQ-UHFFFAOYSA-N 323.348 3.833 0 40 DHAB CCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4670598 RISUBHUYKISEHP-CQSZACIVSA-N 304.434 3.691 0 40 DHAB Cc1cccc(C(=O)OCc2coc(-c3cccs3)n2)c1O 5986765 OXAWKDHLSIBXDW-UHFFFAOYSA-N 315.350 3.774 0 40 DHAB CCCCNc1ncnc2c1cnn2Cc1ccc(Cl)cc1 6760310 OWEUCPJENSXSTP-UHFFFAOYSA-N 315.808 3.740 0 40 DHAB O=C(N[C@H]1CCOc2ccccc21)C12CC3CC(CC(C3)C1)C2 7214764 IMVQXOTUWVVAGP-SOZFHFLDSA-N 311.425 3.843 0 40 DHAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 7242375 SIRCWORAZNJPDW-ZDUSSCGKSA-N 310.397 3.623 0 40 DHAB CCOc1cc(CNC2CC2)ccc1OCc1cccs1 7523847 DVCZCAZHEPQZJM-UHFFFAOYSA-N 303.427 3.978 0 40 DHAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 7696783 JRNMUUJLJMIRQJ-UHFFFAOYSA-N 322.452 3.911 0 40 DHAB Cc1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1 8352025 JITIZRUPGZPYSL-UHFFFAOYSA-N 310.422 3.854 0 40 DHAB C[C@H]1C[C@H](C)CN(C(=S)Nc2ccc(OC(F)F)cc2)C1 8685406 GIEMNARTKVACPE-QWRGUYRKSA-N 314.401 3.963 0 40 DHAB CCOCCn1c(COc2ccc(C)cc2)nc2ccccc21 12378376 SRHGMXWTLFQNBL-UHFFFAOYSA-N 310.397 3.960 0 40 DHAB Cc1noc(C)c1COC(=O)c1oc2ccc(F)cc2c1C 12797435 RKMKZBMNBPMADX-UHFFFAOYSA-N 303.289 3.842 0 40 DHAB COc1ccc2nc(NC(=O)c3cc(F)ccc3F)sc2c1 12929629 HCNXQZAXNJTBLP-UHFFFAOYSA-N 320.320 3.835 0 40 DHAB CC[C@@H](C)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 12975638 CHJAFUZNJJHIMP-VXGBXAGGSA-N 303.381 3.543 0 40 DHAB CN1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 13756618 YELFGIPNSMJKET-INHRHCAVSA-N 316.198 3.687 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccccc1 14095365 XECNUXZYBPLHKR-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB Cc1ccc(OCc2nc(C(=O)NC3CCCC3)cs2)cc1 14244804 HLJXPVNLPIXQSF-UHFFFAOYSA-N 316.426 3.703 0 40 DHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)[nH]n2)cc1 14263687 SEXABJNLIJUGGO-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB Nc1c(Cl)cc(NC(=O)CCc2cccnc2)cc1Cl 16489975 HZHCVANUCJHQIV-UHFFFAOYSA-N 310.184 3.542 0 40 DHAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C1\Nc2ccccc2O1 18166256 REFFNUIWWSTIBH-CSKARUKUSA-N 307.520 3.822 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccoc1 24987574 CCUVWJUNAOULKY-SFHVURJKSA-N 317.348 3.675 0 40 DHAB Cc1cccc(Cn2ccc(NC(=O)Cc3ccc(F)cc3)n2)c1 28247572 BHIRUZPDZZDTQZ-UHFFFAOYSA-N 323.371 3.560 0 40 DHAB Cc1c(C(=O)NCCCOCC2CC2)sc2ccccc12 32781591 UXUTVIIBTRIYIL-UHFFFAOYSA-N 303.427 3.756 0 40 DHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCc2ccccc2C1 35945779 FVDPMBKMZSQEEX-CQSZACIVSA-N 304.393 3.797 0 40 DHAB COc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1 36113238 HHTURYGKHAVSPP-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3C)n[nH]2)cc1 44839126 IJHRWGDIARBQBI-UHFFFAOYSA-N 305.381 3.624 0 40 DHAB FC(F)n1c(CN2CCOc3ccccc32)nc2ccccc21 48234776 OGRKJKQAUQZDKA-UHFFFAOYSA-N 315.323 3.830 0 40 DHAB COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)c1 51315573 YUZYWMMPNSYBJZ-UHFFFAOYSA-N 321.380 3.954 0 40 DHAB Cc1noc(C)c1CCC(=O)N[C@H]1CCc2c(Cl)cccc21 55713331 UKVZPNUJOPDSBW-INIZCTEOSA-N 318.804 3.681 0 40 DHAB CCc1ccc(CCC(=O)N(Cc2cccnc2)C2CC2)cc1 58227189 HKLNVGVTQYAFDF-UHFFFAOYSA-N 308.425 3.768 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)N2CCC(C)CC2)cc1C 58342750 KGHHAURFRPLYEC-UHFFFAOYSA-N 303.406 3.607 0 40 DHAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)nnn2C1CCCC1 64818518 GLBLEYPNPGIMAU-UHFFFAOYSA-N 324.359 3.938 0 40 DHAB COc1c(CN[C@@H](C)c2cc(C)oc2C)c(C(C)C)nn1C 65475374 FSAMYFIORDDHHE-LBPRGKRZSA-N 305.422 3.613 0 40 DHAB CCOc1ccc(F)cc1NC(=O)[C@@H](OC)c1ccccc1 66494060 BRWWZXXOBHJXST-INIZCTEOSA-N 303.333 3.551 0 40 DHAB Cn1cc([C@H]2C[C@H]2C(=O)Oc2ccc(-c3ccccc3)cc2)cn1 69148372 MEUKTRUBRBVPNB-RTBURBONSA-N 318.376 3.796 0 40 DHAB CC(C)(C)c1nc(CC(=O)Nc2cnn(C(C)(C)C)c2)cs1 69567751 LKWDHRVORMXRMO-UHFFFAOYSA-N 320.462 3.573 0 40 DHAB Cc1ccc(C)c(C[S@](=O)Cc2cccc3c2OCCO3)c1 69813165 FSDQIWALZLXWPI-QFIPXVFZSA-N 316.422 3.524 0 40 DHAB Cc1nnc([C@H](C)Nc2cccc(NC(=O)C(C)(C)C)c2)o1 71902422 UVULLHOJOUFRIU-JTQLQIEISA-N 302.378 3.536 0 40 DHAB COc1cccc(OC)c1[C@H]1CCCN1C(=O)OC(C)(C)C 72221417 ICHLGFKAPWMABS-GFCCVEGCSA-N 307.390 3.776 0 40 DHAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(F)cc1F 72331688 LWLNPGWJAKORTL-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB COC(=O)c1ccc(C=C(Br)Br)cc1 75421013 SIVONPHGRMJFGG-UHFFFAOYSA-N 319.980 3.561 0 40 DHAB CSc1nc(Cl)ccc1C(=O)NCc1ccccc1F 79054568 LIXKTZPRIAYXCO-UHFFFAOYSA-N 310.781 3.526 0 40 DHAB CC(C)c1nccn1CCC(=O)N1CCC2(CCCC2)CC1 81432260 JRACHTYGMFQLDO-UHFFFAOYSA-N 303.450 3.579 0 40 DHAB Cc1csc(SCC2CCN(C(=O)c3ccco3)CC2)n1 90608107 OJFORNZAFOHKCU-UHFFFAOYSA-N 322.455 3.689 0 40 DHAB CCN(CC)c1nc(-c2ccc(C)c(C)c2)c(CC(=O)O)s1 95097104 FVXYWXXRKQPVID-UHFFFAOYSA-N 318.442 3.900 0 40 DHAB O=C(O)Cc1sc(N2CCCCC2)nc1-c1ccc(F)cc1 95097135 FFRQIRUVGJIXDB-UHFFFAOYSA-N 320.389 3.567 0 40 DHAB Cc1noc(C)c1N(C)C(=O)c1scnc1C1CCCC1 95940038 SNFHVCWGJDDOQY-UHFFFAOYSA-N 305.403 3.682 0 40 DHAB Cc1ccc(-n2cnc3c(Nc4ccccc4)ncnc32)cc1 96320644 MNUKSHRPMIODHU-UHFFFAOYSA-N 301.353 3.868 0 40 DHAB C[C@H](Oc1cccnc1NCc1ccnn1C)c1ccccc1 97094792 GZHSUEMRLKMFAD-AWEZNQCLSA-N 308.385 3.567 0 40 DHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2ccccc2[nH]1 102213770 TZFRQNIHXODFHA-FRRDWIJNSA-N 317.458 3.596 0 40 DHAB C[C@H](NC(=O)COc1ccccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 103075306 CFAOEUQRNMPLNQ-REWJHTLYSA-N 307.821 3.660 0 40 DHAB Cc1nc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cs1 110669340 PMLMDPDPFAPKBN-WMLDXEAASA-N 315.486 3.594 0 40 DHAB O=C([C@H]1CC=CCC1)N(Cc1cccs1)C1CCOCC1 207962004 YDTYCEBLJHNFPX-AWEZNQCLSA-N 305.443 3.612 0 40 DHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccccc1 223340623 VTFRBGYQZIXAGW-INIZCTEOSA-N 323.436 3.991 0 40 DHAB C[C@@H](Nc1ccc(C(=O)N2CCCC2)cc1N)c1ccccc1 225413326 PIPDMUDFDHGGCY-CQSZACIVSA-N 309.413 3.678 0 40 DHAB CNc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 226272026 SMRXROJSQRWJOE-UHFFFAOYSA-N 314.341 3.562 0 40 DHAB Cc1cccc2c(C[C@H](C)NC(=O)[C@@H]3[C@H]4CCCC[C@H]43)c[nH]c12 248340251 UOFWCCIUSSTCHU-VIBAHUMZSA-N 310.441 3.960 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1ccccc1F 257217395 CYTIWEVFFIFDSC-INIZCTEOSA-N 315.392 3.544 0 40 DHAB Cc1ccc(N(C)C(=O)Nc2ccc3snnc3c2)cc1C 408993439 CXIMGDYSJBVZCO-UHFFFAOYSA-N 312.398 3.976 0 40 DHAB CC(C)(C)C1CCC(CC(=O)NCc2cccc(O)n2)CC1 537496937 WRKXVHYMZNABQA-UHFFFAOYSA-N 304.434 3.646 0 40 DHAB O=C(c1cncc(O)c1)N1CCCCC[C@H]1/C=C/c1ccccc1 547763766 GJOCOEVZNMLIRA-ZGKFYVQTSA-N 322.408 3.885 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(OC)c(C(F)(F)F)c1 575360619 JOZCMJPTABYTBN-UHFFFAOYSA-N 318.291 3.630 0 40 DHAB COC(=O)CCCC(=O)c1c(C)cc(Br)cc1C 575362386 JXXCPRGEZYPAPL-UHFFFAOYSA-N 313.191 3.592 0 40 DHAB CC(C)CCN[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585290130 SRKBIKKJNZCWSX-GVDBMIGSSA-N 311.853 3.637 0 40 DHAB O[C@H]1CCN(C2CCCCC2)C[C@H]1Cc1ccc(Cl)cc1 1615140658 SQVXBKVVSQOCGN-QAPCUYQASA-N 307.865 3.898 0 40 DHAB c1ccc2c(CN3CC(n4cnc5ccccc54)C3)ccnc2c1 1888975880 MWEZYIQMOQENKS-UHFFFAOYSA-N 314.392 3.641 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2cccc3cccnc23)c1 363410 NGASUTJOCIDUCS-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB O=C1c2ccccc2N(Cc2cccc(F)c2)C2=NCCC[C@H]12 1575109 KYHDTNXRRGWGOZ-MRXNPFEDSA-N 308.356 3.837 0 40 DHAB NC[C@H](O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 1602606 BHQZWHNQMWUCQP-KRWDZBQOSA-N 313.788 3.624 0 40 DHAB COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3 1855695 PCBVPRNAXMQVNO-UHFFFAOYSA-N 318.416 3.846 0 40 DHAB CCCOC(=O)c1ccc(OC(=O)C2CCCCC2)c(OC)c1 2069885 UKBCQUFXXMSZFW-UHFFFAOYSA-N 320.385 3.748 0 40 DHAB CC(C)CC[C@H](C[C@@H](C)O)c1nnc(S)n1-c1ccccc1 2303648 UTESJULFGYSALG-ZIAGYGMSSA-N 319.474 3.847 0 40 DHAB COC(=O)Cn1c(SCc2ccccc2)nc2ccccc21 3899659 QHODMFAMCLVWLT-UHFFFAOYSA-N 312.394 3.502 0 40 DHAB CCc1ccc(N(CC)C(=O)C(=O)c2c[nH]c3ccccc23)cc1 4163364 GKGFRPQXLAGKCN-UHFFFAOYSA-N 320.392 3.966 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)C1 4183205 SLJQCXKWMCDIOX-SFFUCWETSA-N 311.510 3.557 0 40 DHAB COc1ccc(-c2c(C)c3cc(OC(C)=O)ccc3oc2=O)cc1 4340691 ZFNOJZNFYHZDEZ-UHFFFAOYSA-N 324.332 3.702 0 40 DHAB biogenic Cc1ccc(N2C[C@H](C(=O)Oc3cc(C)cc(C)c3)CC2=O)cc1 4610684 HGHDDDSHDOXEJB-MRXNPFEDSA-N 323.392 3.570 0 40 DHAB COc1ccc(CNc2ncnc3c2[nH]c2ccc(F)cc23)cc1 4899185 CCTYTMFDPZGLJW-UHFFFAOYSA-N 322.343 3.871 0 40 DHAB C[C@@H]1CCc2nc(NC(=O)Cc3ccc(F)cc3)sc2C1 5268275 FRXFKIOVASCHLK-SNVBAGLBSA-N 304.390 3.588 0 40 DHAB Clc1ccc(COc2ccc(-n3cnnn3)cc2)cc1Cl 5459867 GYKXVAVPLBEVOP-UHFFFAOYSA-N 321.167 3.548 0 40 DHAB CCCCCC[C@@H](O)CNCc1ccnc2ccc(OC)cc12 5499179 HOLOTOVVMVTVKM-MRXNPFEDSA-N 316.445 3.664 0 40 DHAB COc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1OC 5549336 XKTPLVHIICKADQ-UHFFFAOYSA-N 318.398 3.566 0 40 DHAB Cc1c(Cl)cccc1NC(=O)Cn1c(C)nc2ccccc21 5627877 IMUOJUYSTYMHDL-UHFFFAOYSA-N 313.788 3.945 0 40 DHAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1ccsc1=N 6763202 BPEFKVUTLCWLKJ-UHFFFAOYSA-N 317.458 3.915 0 40 DHAB Cc1cc2nc(N(C)Cc3cccc(F)c3)c3ccccc3n2n1 7777672 MHFFINKQFOBWRL-UHFFFAOYSA-N 320.371 3.966 0 40 DHAB COc1ccc(NC(=O)CCSc2ccccc2)cc1OC 7974515 FWCYMZIEFFTZCK-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB CC(=O)c1ccc2nc(C)c(CN3CCCC[C@H]3C)c(O)c2c1 8717276 JYBZIMSMLYVLOK-GFCCVEGCSA-N 312.413 3.826 0 40 DHAB CC(C)OCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 9481831 FMGHJOBZKUXAAK-UHFFFAOYSA-N 305.205 3.930 0 40 DHAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccco3)ccc2c1 9752665 AOMUBZSCQJHVKH-CYBMUJFWSA-N 309.365 3.861 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 11202605 BAGWEDAXJVZPDB-GOSISDBHSA-N 308.381 3.526 0 40 DHAB COc1cccc(CNC(=O)N(C)Cc2ccccc2Cl)c1 12860874 WVTJGAJXDZHFOI-UHFFFAOYSA-N 318.804 3.690 0 40 DHAB CCc1nnsc1C(=O)N[C@@H](C)c1cccc2ccccc12 12872354 TVNPOOBQVXXDNO-NSHDSACASA-N 311.410 3.745 0 40 DHAB COc1cc(COC(=O)Nc2ccc(Cl)cc2)ccc1O 16196041 BYRPKVKUNKRJJA-UHFFFAOYSA-N 307.733 3.803 0 40 DHAB CC(C)(C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 17207575 MTZRNOZFXMDDMC-UHFFFAOYSA-N 309.822 3.767 0 40 DHAB CCCNCc1cc2c(C)nn(-c3ccccc3)c2nc1Cl 19503743 BITLXOXJXBSZLV-UHFFFAOYSA-N 314.820 3.882 0 40 DHAB CCSc1nc2nc(-c3ccco3)cc(-c3ccncc3)n2n1 19960930 MHSMCLDRBPFFJI-UHFFFAOYSA-N 323.381 3.558 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2ccccc2F)c(C)c1 24388800 RFAIAFQBVCOTFF-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB CCCc1noc(CCC(=O)Nc2ccc(C(C)(C)C)cc2)n1 24756213 UNRHIWKIYSEUMS-UHFFFAOYSA-N 315.417 3.891 0 40 DHAB COc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1cccs1 25328695 GIHQEGMUVBIUKG-OCHBPSSRSA-N 301.411 3.990 0 40 DHAB Fc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 25360068 ZRLCRJGNMTZALI-AWEZNQCLSA-N 313.332 3.806 0 40 DHAB CCc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)sc1C 25420096 QDOFSSPEUQCFDL-INIZCTEOSA-N 316.470 3.652 0 40 DHAB CCCC[C@](O)(CCN1CCCCC1)c1ccc(OC)cc1 27346635 BQKCVFVIYPWROE-IBGZPJMESA-N 305.462 3.949 0 40 DHAB Cc1nc(NC(=O)COc2ccccc2C(C)C)sc1C 27755508 NDALYSPLNNLSJV-UHFFFAOYSA-N 304.415 3.901 0 40 DHAB COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c1 28303949 CHYDMRFGPMLUDT-HNNXBMFYSA-N 320.392 3.977 0 40 DHAB Cc1ccc(CNC(=O)[C@H](C(C)C)n2cnc3ccccc32)cc1 32932077 DJVJXEJRIKHTNM-IBGZPJMESA-N 321.424 3.858 0 40 DHAB CCc1ccccc1NC(=O)c1ccc(Br)c(N)c1 40294659 BRSXJSFONDJKKV-UHFFFAOYSA-N 319.202 3.846 0 40 DHAB Cn1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 40472961 YAMRCNKBPRJRPH-LLVKDONJSA-N 310.319 3.593 0 40 DHAB COc1cc([C@@H](C)NC(=O)CC(F)(F)F)ccc1OC(C)C 40516343 UGWRARQLKXPDQG-SNVBAGLBSA-N 319.323 3.612 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccccn1 55181338 CCTAKCPZRSIUCS-NHAQELONSA-N 300.789 3.968 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2cccs2)c1C 57352272 HCGYKYCNFQYROI-LBPRGKRZSA-N 318.442 3.599 0 40 DHAB Cc1ccccc1CN1CCCN(CCOc2ccccc2)CC1 58773544 MBZDWWDFLUYGJS-UHFFFAOYSA-N 324.468 3.582 0 40 DHAB c1ccc(-n2cc(CNC3CCCC3)c(-c3ccncc3)n2)cc1 61003335 HAHJRZHTNBZLNY-UHFFFAOYSA-N 318.424 3.967 0 40 DHAB CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl 65567748 RLJPSZNSGVSBPV-OAHLLOKOSA-N 322.767 3.676 0 40 DHAB Cc1cc(C)cc(CN[C@@H](c2ccccc2)c2nc(C)n[nH]2)c1 69168828 LQOWEEVYJWZMIC-SFHVURJKSA-N 306.413 3.609 0 40 DHAB Cc1ccc(C)c(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2)c1 69806780 GVPOIIOFYCDGEQ-OYHNWAKOSA-N 315.438 3.579 0 40 DHAB CC(C)(C)c1ccc(C(=O)NC[C@@H](O)C2CCCCC2)cc1 70636643 LXUHOSBHVZQHIT-QGZVFWFLSA-N 303.446 3.655 0 40 DHAB CO[C@H](C(=O)NC[C@@H](c1ccccc1)C(C)C)c1ccccc1 71916892 OVYCNDQWCINQOO-MOPGFXCFSA-N 311.425 3.930 0 40 DHAB COCc1nc(C)cc(N[C@@H]2CCSc3ccc(F)cc32)n1 75041284 DJJIENCSRUDICW-CYBMUJFWSA-N 319.405 3.720 0 40 DHAB OCc1ccc(CN[C@H](c2ccccc2)c2cccc(F)c2)o1 88766148 YBCPRTVOXLUKRW-LJQANCHMSA-N 311.356 3.790 0 40 DHAB CCSc1ccccc1OC(=O)c1nc(C)n2c1CCCC2 95412719 VQLWFRLWWJJEJA-UHFFFAOYSA-N 316.426 3.859 0 40 DHAB CSc1ccccc1NC(=O)NCC1([C@@H](C)CCO)CCC1 95463317 PTQWHRSQFFOOOT-ZDUSSCGKSA-N 322.474 3.719 0 40 DHAB Cc1cccc([C@H](C)Nc2ccccc2S(C)(=O)=O)c1C 95960595 WYNUDDOLPPLLSP-AWEZNQCLSA-N 303.427 3.880 0 40 DHAB c1ccc2oc(-c3nnc4sc(-c5ccncc5)nn34)cc2c1 96194003 ICDSZXIKZPALJK-UHFFFAOYSA-N 319.349 3.661 0 40 DHAB CCSc1ccccc1OCC(=O)N[C@H](C)c1ccco1 96484709 YMADVJOZLZJQIE-GFCCVEGCSA-N 305.399 3.648 0 40 DHAB C[C@H](Nc1cccc(F)c1)c1ccc(S(C)(=O)=O)c(F)c1 97037048 YHJYGFJXAGYBDI-JTQLQIEISA-N 311.353 3.541 0 40 DHAB Cc1ccc(-c2nc(C(=O)OCc3cncs3)cs2)o1 97050395 HPCFBNZZOIUAMF-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB CC1=CC[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 101492239 CKCAAVSMPGZWFA-QWRGUYRKSA-N 310.180 3.839 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)C)cc1N1[C@H](C)CCC[C@H]1C 216865166 JWHLRCGJUSDCAK-ZIAGYGMSSA-N 303.450 3.939 0 40 DHAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 222903749 IUMFZIOFESBUSW-HUUCEWRRSA-N 317.483 3.772 0 40 DHAB Cc1ccccc1CCC(=O)NCc1ccc(-c2ccco2)nc1 225751717 YOBQJJIEEHPHAA-UHFFFAOYSA-N 320.392 3.899 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 225855357 XNCBYRNEPISGLG-SNVBAGLBSA-N 307.752 3.979 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1N 226266751 GJSVANCZYUFLBL-UHFFFAOYSA-N 301.365 3.506 0 40 DHAB Cc1nccc(N2CCC[C@H]2c2ncc(Cc3ccccc3)o2)n1 257344472 ZXJMLWATEPUTOO-KRWDZBQOSA-N 320.396 3.705 0 40 DHAB CO[C@@H](C)c1nc(Cc2nc(-c3cccc(C)c3)no2)cs1 390833211 DPOGOYLRLISGCF-NSHDSACASA-N 315.398 3.800 0 40 DHAB O=C(Cc1ccsc1)NCc1cc(-c2ccco2)cs1 1775969818 MJZUZNJGHUVGMW-UHFFFAOYSA-N 303.408 3.929 0 40 DHAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1COc2ccccc2O1 101361 SYCPJHWRLWVZNR-AWEZNQCLSA-N 324.163 3.772 0 40 DHAB Cc1c(Cl)cccc1-n1nnnc1-c1ccccc1Cl 338119 KQYUYWGJWAWTBB-UHFFFAOYSA-N 305.168 3.945 0 40 DHAB Clc1ccc([C@@H]2C[C@H](c3ccco3)n3ncnc3N2)cc1 350188 AWEXLJNOLIENAV-QWHCGFSZSA-N 300.749 3.671 0 40 DHAB C[C@@H](CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1 383094 BVODEVLJXZALEU-KRWDZBQOSA-N 323.436 3.846 0 40 DHAB Cc1ccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)o1 1433799 OKGNEQPLRRONCA-NTEUORMPSA-N 314.366 3.694 0 40 DHAB COC(=O)c1ccc2ccccc2c1C(=O)c1ccc(F)cc1 1602136 VHFMIBXWUAQCFO-UHFFFAOYSA-N 308.308 3.997 0 40 DHAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 2547083 KFNFWUMLKQDFKI-IAGOWNOFSA-N 315.800 3.640 0 40 DHAB COc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(C)n1 2621516 HPCYDVAMESJCLI-UHFFFAOYSA-N 316.426 3.905 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccco1 3258216 IDMBIPWSBSAPMY-AWEZNQCLSA-N 303.427 3.650 0 40 DHAB CCOC(=O)c1sc(NC(=O)/C=C/c2cccs2)cc1C 3289165 BYNKYMAMLHGVBV-VOTSOKGWSA-N 321.423 3.947 0 40 DHAB O=C1c2ccccc2C(=O)N1CCC12CC3CC(CC(C3)C1)C2 3900088 PONSGYSOKDQZOR-UHFFFAOYSA-N 309.409 3.889 0 40 DHAB CCOc1cc([C@@H]2NN=C(c3ccc(C)cc3)S2)ccc1O 4577311 OSJBTRFRWZKZJC-QGZVFWFLSA-N 314.410 3.796 0 40 DHAB O=c1c(O)c(-c2ccc(Br)cc2)oc2ccccc12 5548958 GKEWBRFPQGHVQI-UHFFFAOYSA-N 317.138 3.928 0 40 DHAB COc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 6811341 YKNKKUJWAWNPOX-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB CCCN(CCC)C[C@@H](O)COc1c(Cl)cccc1Cl 6937646 RNLVJDZLYHIRIH-GFCCVEGCSA-N 320.260 3.855 0 40 DHAB CCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 7154759 VKOXDNHNJORSTA-KAMYIIQDSA-N 305.399 3.970 0 40 DHAB COCc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 8315815 GGGCXCRVXOZWCJ-INIZCTEOSA-N 313.422 3.800 0 40 DHAB CCn1nccc1NC(=O)C1(c2ccc(Cl)cc2)CCC1 9582787 SMFOCYNOHIXTMA-UHFFFAOYSA-N 303.793 3.617 0 40 DHAB Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)n1 12537851 UDZMRFFZKXLCQR-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2[nH]ccc2c1 12894938 FHCUAANSHQBFFW-UHFFFAOYSA-N 303.365 3.622 0 40 DHAB biogenic CCOc1cc2c(cc1NC(=O)c1ccccc1F)O[C@@H](C)C2 12982275 NMEPNTSPFBLNNH-NSHDSACASA-N 315.344 3.800 0 40 DHAB COc1ccc(CCCNC(=O)c2ccc(Cl)cc2)cc1 13647317 QGFJQGPFFQTBNZ-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB Cc1cccc2cc(CNCCCc3ccccc3)c(=O)[nH]c12 13998405 TYZCHOMZEWZWLZ-UHFFFAOYSA-N 306.409 3.559 0 40 DHAB COc1cccc(C(=O)N2CCc3cc4cc(C)ccc4nc32)c1 15841852 OLFOVKXKYFAJBQ-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB CC(C)c1ccccc1OCC(=O)Nc1cc(N)ccc1F 19736547 RCINCDJGGJUNNQ-UHFFFAOYSA-N 302.349 3.549 0 40 DHAB Cc1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1 19900165 FZHBXAZVSXLFOE-UHFFFAOYSA-N 314.860 3.966 0 40 DHAB COCc1ccccc1CNC(=O)c1ccc(Cl)cc1F 25306969 HAKBHROBZMFFOQ-UHFFFAOYSA-N 307.752 3.556 0 40 DHAB CC(C)c1ccccc1OCC(=O)NCCc1cccs1 28284498 LGLBPVNLKXAYFQ-UHFFFAOYSA-N 303.427 3.609 0 40 DHAB O=C(Cc1ccc2ccccc2c1)Nc1ccc2oc(O)nc2c1 29839647 ZXJKJFGIEQJQJP-UHFFFAOYSA-N 318.332 3.868 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc2c(c1)OCO2 32978657 OZARKFOAHKZEKL-RMKNXTFCSA-N 321.376 3.716 0 40 DHAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(N)c(C)c1 37768714 HPGCVLHDSHWFCK-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB CCc1cccc2c(/C=C3/C(=O)NC(=O)c4ccccc43)c[nH]c12 40009553 MEHPQLQACYTCHP-LICLKQGHSA-N 316.360 3.541 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)c3cnccn3)cn2)cc1C 40122691 WMRABYWDZZEOST-UHFFFAOYSA-N 320.352 3.533 0 40 DHAB OC1=NC(=S)S/C1=C\c1cnn(-c2ccc(Cl)cc2)c1 40139531 NRXAIYMSWFXNLC-WZUFQYTHSA-N 321.814 3.855 0 40 DHAB COC(=O)c1oc(CN2CCC[C@@H]2c2cccc(F)c2)cc1C 40153833 UZDIWGSFOAVGCY-MRXNPFEDSA-N 317.360 3.851 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)c(C)c1 44080832 MCNWUHGQHKHTNS-HNNXBMFYSA-N 319.518 3.712 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CCn2cccc2[C@H]1c1ccccc1 44575979 AQKNWULUHFPSAB-IEBWSBKVSA-N 306.409 3.776 0 40 DHAB CC(=O)c1cccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c1 45957019 RLXIAWGTESLYDP-DYVFJYSZSA-N 318.417 3.606 0 40 DHAB CC(=O)Nc1ccc(C)c(NC(=O)NC2CCC(C)CC2)c1 48280294 LULALYMBDIABMZ-UHFFFAOYSA-N 303.406 3.654 0 40 DHAB CCOc1cccc(NC(=O)COc2cccc(Cl)c2)c1 55767601 OEOWVKZPCVBJBF-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB C[C@H](c1ccccc1)N1Cc2cc(Cl)ccc2OCC1=O 65184394 FGWKOSJAXMHNJF-GFCCVEGCSA-N 301.773 3.822 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1CCc2ccccc21 65621163 AYGWSVFGNUEPSW-OAHLLOKOSA-N 322.364 3.589 0 40 DHAB COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(F)cc2)C1 71915872 WBZYNRFKWVOWNM-CYBMUJFWSA-N 314.360 3.856 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1 72214900 SKQSZKGIKNUXMJ-AWEZNQCLSA-N 305.422 3.656 0 40 DHAB C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cnns1 72293439 ULLYRFFPDZAZTK-GFCCVEGCSA-N 301.415 3.542 0 40 DHAB Cc1cnc([C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C2CC2)s1 75147739 JZKSVSIWHJJTRL-OWCLPIDISA-N 312.438 3.823 0 40 DHAB O=C(NCc1ccncc1)Nc1ccccc1OC1CCCC1 75764834 BJIDILBRGFFOAL-UHFFFAOYSA-N 311.385 3.725 0 40 DHAB CC[C@H](C(=O)Nc1ccc2c3c(cccc13)CC2)N(CC)CC 84718768 TVIOEDGEZWCMPA-GOSISDBHSA-N 310.441 3.997 0 40 DHAB CCOc1cccc(/C=C/c2nc3ccccc3n(C)c2=O)c1 89269888 LGZLJEJZSKLXLT-VAWYXSNFSA-N 306.365 3.503 0 40 DHAB Cc1cc(Br)cc2cc(C(=O)O)c(Cl)nc12 95095279 GULOAPBOMRXWEL-UHFFFAOYSA-N 300.539 3.657 0 40 DHAB COc1ccc(-c2noc([C@@H]3C[C@H]3c3ccco3)n2)c(OC)c1 95396895 OBKOPCPMCCYZIZ-CHWSQXEVSA-N 312.325 3.618 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@H]2Nc3ccc(Cl)cc3[C@H]2C1 95635395 NUSSODRBWFEQDM-TZMCWYRMSA-N 308.809 3.859 0 40 DHAB CCN(CC(C)(C)O)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 95963179 FKEZQGVFLMDWAE-QZTJIDSGSA-N 311.425 3.563 0 40 DHAB Cc1csc(C2=C(O)CN([C@H](C)CCc3ccco3)C2=N)n1 102243261 RCOKUTDXOIVIIR-LLVKDONJSA-N 317.414 3.628 0 40 DHAB CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1N 103899444 ODXCOJFQKGUIAL-UHFFFAOYSA-N 312.417 3.657 0 40 DHAB CCOc1cc(C(=O)Nc2ccccc2)cc(Cl)c1OC 107996672 AFQZNDFBEOLSFV-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB CC(=O)c1ccc(C(F)(F)F)c(I)c1 169796930 ISLUHEXZWFJENR-UHFFFAOYSA-N 314.044 3.513 0 40 DHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(N)c(Cl)cc2Cl)C1 226301011 HYGYXKRQAXFLDX-DTORHVGOSA-N 301.217 3.694 0 40 DHAB CC(=O)N[C@]1(C)C[C@H](c2ccc(O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257219463 DGWLMXHGRALNAM-RRARJMIVSA-N 317.429 3.553 0 40 DHAB CC(C)N1CCCC[C@H]1c1csc(Nc2ncccn2)n1 257261053 LFNMHYAMCXXWNQ-ZDUSSCGKSA-N 303.435 3.612 0 40 DHAB Cc1ncsc1-c1ccc(C(=O)N(C)C2CCCCC2)cn1 257261149 LFYRRDHUNKNEQF-UHFFFAOYSA-N 315.442 3.918 0 40 DHAB Clc1ccc2ncc(-c3ccc([C@H]4CCCNC4)nc3)n2c1 2037845840 LOXSJDNLQHIIOS-LBPRGKRZSA-N 312.804 3.517 0 40 DHAB CC(C)c1nccn1CC1CN(c2ccnc3ccsc23)C1 2087143842 BIELZIFSRUORQA-UHFFFAOYSA-N 312.442 3.753 0 40 DHAB COc1cccc2sc(N3CC[C@@H](c4ccccn4)C3)nc12 2298085411 USISMKMHZNXRRT-GFCCVEGCSA-N 311.410 3.694 0 40 DHAB COC(=O)c1cc(C2CC2)nc2ccc(Br)cc12 205163 FICSOCPOENNXJH-UHFFFAOYSA-N 306.159 3.661 0 40 DHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 505902 DXJZQMRDFKPMOH-UHFFFAOYSA-N 302.374 3.569 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 514851 HIHPTEMFYLXZGA-UHFFFAOYSA-N 324.424 3.933 0 40 DHAB CCOC(=O)/C=C(/C)Sc1cc(O)c2ccccc2c1O 1563104 ZWPCTBYNLWBREY-NTMALXAHSA-N 304.367 3.810 0 40 DHAB Cc1ccc(OCCSCC(=O)Nc2ccccc2)cc1 1792323 XMTPWWXTUMIQKM-UHFFFAOYSA-N 301.411 3.746 0 40 DHAB Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 2215471 SKMFCLYSWBOJIY-UHFFFAOYSA-N 322.393 3.590 0 40 DHAB C[C@H]1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1 3216426 BZYMJLMCUAIOMI-INIZCTEOSA-N 309.409 3.991 0 40 DHAB CSc1ncccc1C(=O)Nc1c(F)c(F)cc(F)c1F 3346618 SWCOKCVAPJQMSU-UHFFFAOYSA-N 316.279 3.612 0 40 DHAB O=C(COc1ccc(Cl)c2ccccc12)NCC(F)(F)F 3495677 OGKJUTMFOGXASJ-UHFFFAOYSA-N 317.694 3.551 0 40 DHAB Cc1ccccc1/C=C/c1nn2c(-c3ccncc3)nnc2s1 4540224 BOWVVWLONFKFJV-VOTSOKGWSA-N 319.393 3.727 0 40 DHAB O=C(O)c1ccc(CNCc2ccc(Cl)cc2Cl)cc1 4657686 QVMPAMVKVSQIMM-UHFFFAOYSA-N 310.180 3.981 0 40 DHAB Cc1ccc2[nH]c3c(=O)n(Cc4ccccc4Cl)cnc3c2c1 5152211 LVWULPFQWBTKRO-UHFFFAOYSA-N 323.783 3.888 0 40 DHAB Cc1cccc(Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)c1 5401475 DJROVOPGZWILMI-UHFFFAOYSA-N 304.393 3.884 0 40 DHAB COc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3C)sc2C)cc1 5578393 CAHYKTZJNZQGJH-TVQRCGJNSA-N 302.399 3.722 0 40 DHAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 7223478 KYOYMXJBVBVWOE-LLVKDONJSA-N 304.777 3.788 0 40 DHAB CN(C1CCCCC1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 7308315 FBAGDDIQXJKNID-VAWYXSNFSA-N 313.850 3.905 0 40 DHAB CC(C)[C@H](NC(=O)c1ccsc1)c1ccc2c(c1)OCCO2 8124994 IMLRRPRKRQLYPI-INIZCTEOSA-N 317.410 3.646 0 40 DHAB Cc1ccc(CSc2nc(CC(=O)NC3CC3)cs2)cc1 8936795 XYJNUGYXBDXYGK-UHFFFAOYSA-N 318.467 3.565 0 40 DHAB CN(C)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 9953313 BYHZHOVIXVJOOM-UHFFFAOYSA-N 310.372 3.995 0 40 DHAB C[C@H](NC(=O)Cc1ccccc1Cl)c1nc2ccccc2[nH]1 12538810 MQCSDZAOISFQDX-NSHDSACASA-N 313.788 3.636 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1N1CCCC1 12634037 SAQXWJHLYHSUPW-UHFFFAOYSA-N 319.408 3.949 0 40 DHAB COc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 14701640 XCMGNURQBSVUNW-UHFFFAOYSA-N 321.376 3.657 0 40 DHAB CCCCSc1nc(O)nnc1SCc1ccccc1 17431020 CDPWEKFMAGUZJW-UHFFFAOYSA-N 307.444 3.762 0 40 DHAB COc1ccccc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 18175518 RWZBXCUBCFKACD-SNVBAGLBSA-N 306.312 3.856 0 40 DHAB O=C(NCc1cccnc1)[C@H](Cc1ccccc1)c1ccccc1 20510179 SWGKWCZKBHEHEE-HXUWFJFHSA-N 316.404 3.724 0 40 DHAB O=C(Nc1nncs1)c1ccc(-c2ccccc2Cl)o1 21214463 YNKSUYGKPDYHDH-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB COc1ccc(CN(C)C(=O)c2cccc(Cl)c2)cc1OC 21912812 UQVCMTIKESQKFO-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 22739749 HJXMOVUYCLLMGW-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB [O-][n+]1ccccc1Oc1nc(-c2ccsc2)nc2ccccc12 22803457 AQHJTVKAQLGNGA-UHFFFAOYSA-N 321.361 3.784 0 40 DHAB CC1CCN(C(=O)c2csc(Nc3ccccc3)n2)CC1 23136817 RGCGHWNQRJFLGB-UHFFFAOYSA-N 301.415 3.759 0 40 DHAB Cc1c(C(=O)NCC2(N(C)C)CCCCC2)oc2ccccc12 27664676 OGKROKPLJGGOAA-UHFFFAOYSA-N 314.429 3.736 0 40 DHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(Cl)c1 27846480 WMWIRPFUIRIKJQ-AWEZNQCLSA-N 314.816 3.596 0 40 DHAB Cc1ccc(NC(=O)Cn2c(=O)cc(C)c3ccccc32)c(C)c1 27995848 HAHWDYQPYZLQTC-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB CC(C)CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220604 HSRPEUGEXWGWCQ-INIZCTEOSA-N 322.880 3.714 0 40 DHAB COc1cc(OC)c(NC(=O)CCc2ccco2)cc1Cl 30061143 YQQSHHIBHISXQC-UHFFFAOYSA-N 309.749 3.522 0 40 DHAB O=C(NCCOc1ccccc1)Nc1ccccc1C(F)(F)F 38901079 YYLZCLVANCDOEO-UHFFFAOYSA-N 324.302 3.906 0 40 DHAB C[C@H](CNC(=O)c1ccc(F)cc1)Oc1ccc(Cl)cc1 41155691 DXMWJNFMGVPNTI-LLVKDONJSA-N 307.752 3.676 0 40 DHAB O=C(NC1(c2ccccc2)CCCC1)c1ccc2c(c1)OCO2 41565649 YFSKZVGXWUFOMT-UHFFFAOYSA-N 309.365 3.615 0 40 DHAB CSCc1nnc(SCc2cccc3cccnc23)o1 48325784 JEKAIWKKACXZPG-UHFFFAOYSA-N 303.412 3.773 0 40 DHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 48331750 YSOKLTXJJVGHJR-HOCLYGCPSA-N 314.429 3.644 0 40 DHAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)ns2)cc1 49409974 JYTXYAGEQQUXTM-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB biogenic C[C@H](OCC1CC1)C(=O)Nc1ccc(-c2nccs2)cc1 58268535 ZDKKPHISXCMQMG-NSHDSACASA-N 302.399 3.564 0 40 DHAB CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 66045262 LZWWYQRGRBBGBX-QGZVFWFLSA-N 324.424 3.859 0 40 DHAB Cc1cc(C(=O)N(Cc2cccnc2)C(C)C)c2ccccc2n1 69387873 JULNXUCTHBCANO-UHFFFAOYSA-N 319.408 3.989 0 40 DHAB C[C@@H]1CCN(C(=O)CSc2ccncc2)[C@@H](c2ccco2)C1 75389743 PYFVLGCBPHEFAH-UKRRQHHQSA-N 316.426 3.767 0 40 DHAB COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(F)cc1C 84195426 WLTYGIXCVBCTLR-UHFFFAOYSA-N 320.364 3.716 0 40 DHAB Nc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 93728901 UBOXRKBLGJZLNZ-UHFFFAOYSA-N 306.138 3.714 0 40 DHAB C[C@H](OC(=O)c1ncoc1[C@@H]1CCCO1)c1ccc(F)c(F)c1 95449800 UXWPXZLFAYCCJP-ZANVPECISA-N 323.295 3.722 0 40 DHAB C[C@@H](NCCCO)c1nc(-c2ccc(F)c(Cl)c2)cs1 96014122 DSWGQZXWQWRYCO-SECBINFHSA-N 314.813 3.636 0 40 DHAB CC(C)c1ccc([C@@H](C)SCC(=O)NC2CCOCC2)cc1 97085505 IEJRHYOMYQODFF-CQSZACIVSA-N 321.486 3.899 0 40 DHAB Cc1ccccc1C(=O)Nc1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 101078456 HMMLOOLJQMWUPM-CYBMUJFWSA-N 320.392 3.644 0 40 DHAB O[C@H](c1ccccc1)[C@@H]1[C@@H]([C@@H](O)c2ccccc2)[C@H]2C=C[C@H]1C2 104151192 VNZJRGWMHCYVFF-HXIANDDZSA-N 306.405 3.892 0 40 DHAB O=C(Nc1cnns1)N[C@@H](c1ccccc1F)C1CCCC1 192368380 AUNJSWZOPDKVDG-CQSZACIVSA-N 320.393 3.730 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1Cl 206849193 UFPJCFBQYQTCMA-FMQWLBJXSA-N 315.800 3.857 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)C)cc1N1[C@@H](C)CCC[C@@H]1C 216865115 JWHLRCGJUSDCAK-KBPBESRZSA-N 303.450 3.939 0 40 DHAB CC(C)Oc1cccc(C(=O)n2cc(C=O)c3ccccc32)c1 216956693 HSMGIFVGEWACSH-UHFFFAOYSA-N 307.349 3.930 0 40 DHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(C2CC2)nc1 222596412 XDRKDZDVICUSED-UHFFFAOYSA-N 307.275 3.625 0 40 DHAB Cc1nc(NC(=S)NCc2ccc(F)cc2)ccc1Cl 223946061 NUWGSOATMOZJIL-UHFFFAOYSA-N 309.797 3.669 0 40 DHAB COc1ccc(C(N)=O)cc1COc1ccc2ccccc2c1 224309028 UWFWFUBFRSXUQB-UHFFFAOYSA-N 307.349 3.526 0 40 DHAB Cc1ccccc1CSCCNC(=O)NC1CCCCC1 225754795 FZBXFRVRHSEMEF-UHFFFAOYSA-N 306.475 3.860 0 40 DHAB CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CCNCC3)C[C@@H]21 257249707 JJKOWYVIDQSEBM-GOEBONIOSA-N 321.848 3.958 0 40 DHAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc(Cl)cc1)C2 409195253 NVNPHZFCRVDMTQ-UHFFFAOYSA-N 314.816 3.911 0 40 DHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1ccsc1 1775967940 GQHWTVVDDUNWFA-GFCCVEGCSA-N 319.407 3.533 0 40 DHAB O=C(O)c1ccccc1-c1cnc(CNc2cccnc2)s1 1848356821 VOMQVHQCAHXCQE-UHFFFAOYSA-N 311.366 3.515 0 40 DHAB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 359825 WTMKRLKOVMHLPY-XNTDXEJSSA-N 313.740 3.693 0 40 DHAB Cc1occc1-c1nnc2sc(-c3ccc(F)cc3)nn12 4938905 TZFOTRRJPMLMHG-UHFFFAOYSA-N 300.318 3.560 0 40 DHAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccs1 4950377 HFNZJZRIXSDYBU-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB Cc1cc2cc(CNC(=S)NCc3ccccc3)ccc2[nH]1 5066004 LKAADJPWFVGVQH-UHFFFAOYSA-N 309.438 3.641 0 40 DHAB CCOc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)o2)cc1 6944425 RXVUBNHQWQFKCO-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB COCc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 7525614 VSANIMZGBBVBFE-NSHDSACASA-N 305.324 3.602 0 40 DHAB CCOCc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC 7942565 XTAMIKVXXGAUJE-UHFFFAOYSA-N 303.333 3.623 0 40 DHAB CCCC(=O)c1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2 9334442 VUEQYKQTUPFQSC-UHFFFAOYSA-N 317.344 3.722 0 40 DHAB biogenic O=C(NCCCOCc1ccccc1)Nc1ccccc1F 9390281 RFMQLWRZZCGKTJ-UHFFFAOYSA-N 302.349 3.554 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)N(C)C2CCCCC2)c1 9449394 RZVYLXQQQWFKPG-UHFFFAOYSA-N 304.390 3.660 0 40 DHAB C[C@H](NC(=O)CSc1nc2ccccc2s1)c1ccco1 9496069 ZJSLICPIKRZCTQ-JTQLQIEISA-N 318.423 3.859 0 40 DHAB CSCc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 9514833 ABNFQRLUMQASES-UHFFFAOYSA-N 305.428 3.531 0 40 DHAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C1 9997208 VPOMNMXMMBPQAE-QWRGUYRKSA-N 315.244 3.910 0 40 DHAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 10326080 ONMDXSJZJAXUAR-UHFFFAOYSA-N 324.424 3.705 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 12141939 JJWUZISFHASVBC-CYBMUJFWSA-N 307.365 3.656 0 40 DHAB Cc1nc(S[C@@H](C(=O)O)c2ccccc2)nc2c1CCCC2 12176546 ZQGAYKIFZLSFHC-OAHLLOKOSA-N 314.410 3.582 0 40 DHAB C[C@H](CN1CCC(c2n[nH]c3ncccc23)CC1)c1ccccc1 12220713 CVHUWIGFPOQGFU-OAHLLOKOSA-N 320.440 3.941 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1C 13964180 ZSCCZMCOPDUJPT-MRXNPFEDSA-N 303.450 3.545 0 40 DHAB CCCOc1ccccc1OC(=O)c1ccc(NC(C)=O)cc1 16009226 YOIINSCCSBHFMH-UHFFFAOYSA-N 313.353 3.653 0 40 DHAB Cc1ccc2c(c1)CNCC1(CCN(Cc3ccccc3)CC1)O2 19219568 QUXRDWZIBPRQKQ-UHFFFAOYSA-N 322.452 3.512 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20137525 NJPAFKNHHWYROH-UHFFFAOYSA-N 307.349 4.000 0 40 DHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1F 22226612 BUKWQIKJHWRBKG-BDJLRTHQSA-N 301.386 3.720 0 40 DHAB COc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1 24615378 ILDRIGPQBOMJMV-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB CCn1nc(C)cc1NC(=O)c1cc(SC)ccc1Cl 28240612 XRRCSJYYZWFLBS-UHFFFAOYSA-N 309.822 3.839 0 40 DHAB COc1ccccc1NC(=O)CCCc1nc2ccccc2[nH]1 29053250 VDLXOBDBSHYZBG-UHFFFAOYSA-N 309.369 3.533 0 40 DHAB Cc1ccccc1-n1ncc(C(=O)N2CCC(C)CC2)c1C1CC1 29753865 IEBCAKDKKPJEEU-UHFFFAOYSA-N 323.440 3.930 0 40 DHAB c1ccc([C@H]2CCCN2Cc2cnn(-c3ccccc3)n2)cc1 32927395 ZEWHXOUBPQBZFY-LJQANCHMSA-N 304.397 3.604 0 40 DHAB CCOC(=O)Cc1csc(SCc2ccccc2F)n1 32954360 YBWMMSVHFSZCPM-UHFFFAOYSA-N 311.403 3.680 0 40 DHAB Cc1cc(C)cc(NC(=O)[C@@H](SCCO)c2ccccc2)c1 33045865 XTCFHVKBPMZOGR-KRWDZBQOSA-N 315.438 3.709 0 40 DHAB O=C(c1cccc2cn[nH]c12)N1CCC(Cc2ccccc2)CC1 39555761 ITKVDMDNSBRKDC-UHFFFAOYSA-N 319.408 3.658 0 40 DHAB Cc1cccc(OCCNC(=O)NC2(c3ccccc3)CCC2)c1 40150021 PDOUGKSSHWENSX-UHFFFAOYSA-N 324.424 3.752 0 40 DHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccco1 40474181 YJJGNIIRVKFOQE-UHFFFAOYSA-N 312.291 3.640 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccccc2C)on1 42800537 WCLYVXSVWVJVLI-GOEBONIOSA-N 313.401 3.899 0 40 DHAB CC(C)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 44902483 ISMSYLDLXAWKED-KRWDZBQOSA-N 303.427 3.752 0 40 DHAB O=C(c1cnc2ccccc2n1)N1CCC[C@H]1c1ccsc1 44940782 GLLXLFHEOSCCLR-INIZCTEOSA-N 309.394 3.669 0 40 DHAB COc1ncccc1NC(=O)N1CCC[C@@H]1c1cccs1 44953494 NVGRYNPJKPIFBX-GFCCVEGCSA-N 303.387 3.521 0 40 DHAB CCNc1nnc(SCCCc2nc3ccccc3o2)s1 54203539 PSDRGAIOUPNUPN-UHFFFAOYSA-N 320.443 3.836 0 40 DHAB COc1ccc(OC)c(CNCc2nc3ccccc3s2)c1 58006690 CZKIFFDURLYYCG-UHFFFAOYSA-N 314.410 3.603 0 40 DHAB C[C@H](SCCOc1ccc(Cl)cc1)C(=O)NC(C)(C)C 65565000 ASNFODFCPVRTTI-NSHDSACASA-N 315.866 3.755 0 40 DHAB FC(F)(F)c1nc2ccccc2n1Cc1nnsc1Cl 67767807 JUGOORBZUXHTAN-UHFFFAOYSA-N 318.711 3.608 0 40 DHAB Cc1cc(-n2cnnc2)ccc1NC(=O)c1cc2ccccc2o1 72229706 XFPKUQORWQVHIX-UHFFFAOYSA-N 318.336 3.574 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1cn[nH]c1-c1cccs1 72329456 OMDOYRSNSRTOGB-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB Cc1nc(C(=O)Nc2nc3c(s2)CCC3)c(C(C)C)s1 72403880 IOLWLJBWLGDKGU-UHFFFAOYSA-N 307.444 3.772 0 40 DHAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 73553334 LNPLWMHRKHEDTH-HXUWFJFHSA-N 322.452 3.596 0 40 DHAB Cc1cc(CNC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)no1 73872600 OCEXQCNDRLMMGM-ABAIWWIYSA-N 317.389 3.567 0 40 DHAB Cc1nc(CN(C)C(=O)NC[C@@H](C)Cc2cccs2)cs1 76087270 FTZQPXJWWMQQSA-NSHDSACASA-N 323.487 3.533 0 40 DHAB Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Cl)o3)c2)n1 76239002 CEIRFQYRNCIDSV-UHFFFAOYSA-N 315.760 3.988 0 40 DHAB COc1ccc(-c2csc(NCC(F)(F)F)n2)c(OC)c1 79911891 VSGKQAFRYFGCHU-UHFFFAOYSA-N 318.320 3.802 0 40 DHAB CC(C)c1cc(C(=O)N2CCC[C@H]2C2CCCCC2)nn1C 81854798 YDWFLNVDPWZNFT-INIZCTEOSA-N 303.450 3.728 0 40 DHAB CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C1 89275027 RSZCZIPBVWMZRJ-CWRNSKLLSA-N 321.490 3.848 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NC[C@H](C)c2c(C)noc2C)c1 90762849 ZVSACHBDANCMJU-RYUDHWBXSA-N 315.417 3.704 0 40 DHAB COc1cccc2cc([C@H](C)N[C@H](C)C3CCOCC3)oc12 95419649 SJUDFDRNBYVODX-OLZOCXBDSA-N 303.402 3.907 0 40 DHAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC(NCc1ccccc1)C2 95630311 SFSGQPRQMNUZTA-ALOPSCKCSA-N 316.445 3.707 0 40 DHAB O=C1C[C@@H](c2ccc(Cl)cc2)c2c(ccc3nsnc23)O1 96231117 BJFKXQPKYVXCRO-JTQLQIEISA-N 316.769 3.786 0 40 DHAB COc1ccccc1[C@@H](CNC(=O)Nc1cccc(C)c1)OC 96385310 WMKFXJILPZFOAF-QGZVFWFLSA-N 314.385 3.513 0 40 DHAB O=C(C1[C@H]2CCCC[C@H]12)N1CCC(Oc2ccc(F)cc2)CC1 100730996 MRKYFDAAAOKBTB-IRXDYDNUSA-N 317.404 3.632 0 40 DHAB O=C(Nc1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1)c1ccco1 102708680 LUQXHPVADAODBJ-HEHGZKQESA-N 322.364 3.683 0 40 DHAB CC(C)c1nc([C@H]2CCCN([C@H](C)c3ccncc3)C2)no1 106910885 DODPYHNGMGGWHD-HIFRSBDPSA-N 300.406 3.529 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)c1cccc(-n2ccnc2)c1 117575531 JBNSRDQNBHPKFU-UHFFFAOYSA-N 317.392 3.774 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2ccc3sncc3c2)c1 188225573 RPJFJVQROABRKV-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB Fc1cccc(NC(=S)NCCSCc2ccco2)c1 225347683 BPLTVWXABXVZLU-UHFFFAOYSA-N 310.419 3.639 0 40 DHAB CN(Cc1ccccc1)C(=O)Cc1cccc(Br)c1 225611778 FLEPMVRJHGAZSO-UHFFFAOYSA-N 318.214 3.650 0 40 DHAB COC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCC1 225627153 GRCAFFWIWIZKAH-UHFFFAOYSA-N 305.418 3.988 0 40 DHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c2ncccc12 225886238 SLDJWMKPZVWXGL-GOSISDBHSA-N 316.401 3.777 0 40 DHAB CCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225892640 MNDPCZJFIYLUJZ-UHFFFAOYSA-N 316.401 3.776 0 40 DHAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4ccccc4s3)C2)n1 257284008 PAWNAJBNUQSDQJ-CYBMUJFWSA-N 311.410 3.563 0 40 DHAB CN(C(=O)c1cccnc1-c1cncs1)C1CCCCC1 257329121 XIOPXHHYJJVXEO-UHFFFAOYSA-N 301.415 3.610 0 40 DHAB CC(C)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 260897714 KNIMVCDNUSUQTQ-ZBFHGGJFSA-N 322.880 3.713 0 40 DHAB NC(=O)/C=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 409416284 ZDKCWYLYPCSQFK-YWEYNIOJSA-N 305.736 3.557 0 40 DHAB Brc1cc(CNc2cccc3c2OCO3)cs1 541063358 JHPGWIMBSJGNFI-UHFFFAOYSA-N 312.188 3.851 0 40 DHAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccs1 812381 LWFZGVUXTBSSHN-UHFFFAOYSA-N 308.211 3.856 0 40 DHAB CC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1 3014771 FSNZKZNYMJXONH-INIZCTEOSA-N 319.813 3.777 0 40 DHAB O=S(=O)(CCCCOc1ccccc1)c1cccc(Cl)c1 3470106 OSFQYWPKSHWGFV-UHFFFAOYSA-N 324.829 3.973 0 40 DHAB CC(C)(C)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4223274 SZPMPAVNLSACGC-UHFFFAOYSA-N 301.415 3.604 0 40 DHAB Cc1nc2ccccc2n1CCC(=O)N[C@H](C)c1ccccc1 5209165 PEXAOMHRVJFUGN-CQSZACIVSA-N 307.397 3.612 0 40 DHAB Cc1cccc([C@](C)(O)c2cnc(C)n2Cc2ccccc2)c1 5504112 GEXDFFCKCICNEA-FQEVSTJZSA-N 306.409 3.804 0 40 DHAB Cc1cccc2cc(-c3noc(-c4ccc(F)cc4)n3)c(=O)[nH]c12 5818577 UBYWNUGYNIHUKL-UHFFFAOYSA-N 321.311 3.693 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 5825586 DKMZNLLUOHHFOR-UHFFFAOYSA-N 313.188 3.988 0 40 DHAB O=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 5862561 SFSDSPSTUKDEJK-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CC[C@@H](NC(=O)c1ccn(CC)n1)C12CC3CC(CC(C3)C1)C2 6555373 FWVTVGIRAZZNRZ-MUGCCGGLSA-N 315.461 3.628 0 40 DHAB Cc1cc(C)c(OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c(C)c1 6742779 NWZQXEHMRAUYMK-MOPGFXCFSA-N 316.397 3.639 0 40 DHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)CO[C@@H]1C[C@H](C)CC(C)(C)C1 6996368 FWSHCMODWGVIGW-KFGODFMUSA-N 311.510 3.842 0 40 DHAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1cccs1 7444372 XLHBALXDTTZKCU-GFCCVEGCSA-N 322.861 3.711 0 40 DHAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2O)cc1 8242084 MCBGPJJFAQOWQX-UHFFFAOYSA-N 314.341 3.521 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1O 8382759 LVSLKZXRVKYXDF-LLVKDONJSA-N 305.761 3.760 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1 8557496 KQEJQDVPWNGRDX-UHFFFAOYSA-N 324.833 3.833 0 40 DHAB Oc1nc(Nc2ccccc2)nnc1Cc1ccc(Cl)cc1 8738567 GCRZOSSHBULBEN-UHFFFAOYSA-N 312.760 3.565 0 40 DHAB Cc1ccc(Oc2ccccc2NC(=O)c2cnccn2)cc1 8881589 YPWOYLXDLNURRT-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)N2CCc3sccc3C2)cc1F 10767748 PAEAXGBAIGGWGI-LBPRGKRZSA-N 318.417 3.581 0 40 DHAB c1cncc(-c2nccc(CN3CCC[C@@H]4CCCC[C@H]43)n2)c1 12670929 QOPIFIMHBKCQAS-MAUKXSAKSA-N 308.429 3.693 0 40 DHAB O=C(c1cc(Br)ccc1O)N1CCCCCCC1 13004290 NEMLGVUCGARKII-UHFFFAOYSA-N 312.207 3.561 0 40 DHAB CCCNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 13017500 GECBDQNNIZRICY-UHFFFAOYSA-N 301.773 3.711 0 40 DHAB Cc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccccc2C)no1 13495379 IPKPQIWPZDBOJA-AWEZNQCLSA-N 321.380 3.844 0 40 DHAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1cccs1 14043444 HTANIDIBHZHREU-VIFPVBQESA-N 320.439 3.649 0 40 DHAB COc1ccccc1CCNC(=O)Cc1ccc2ccccc2c1 14603541 NIAMHYMAVQYTFJ-UHFFFAOYSA-N 319.404 3.750 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 14910603 WUXVAHYQHQJJBI-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB CCN(C(=S)NCCc1ccc(OC)cc1)c1ccccc1 16211830 RWYPAYLLLCRQRN-UHFFFAOYSA-N 314.454 3.639 0 40 DHAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(SC)c2)c1 20494731 IIRWUGJGXLGOTF-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB CCN1CCC[C@H]1CN(CCc1ccccc1)Cc1ccncc1 22913852 ZHTZVUMYEBHYFL-NRFANRHFSA-N 323.484 3.611 0 40 DHAB O=C(COc1ccc(F)cc1F)Nc1cccc2cnccc12 24761256 ZNVOVBVUTJHMRO-UHFFFAOYSA-N 314.291 3.531 0 40 DHAB Cc1ccc(Cn2nccc2NC(=O)c2ccccc2F)cc1 24828804 UOJZWJNZSAECFO-UHFFFAOYSA-N 309.344 3.631 0 40 DHAB CCn1cnnc1-c1cccc(NC(=O)c2cccc(C)c2)c1 25287069 IXGJGYNVWHXKCG-UHFFFAOYSA-N 306.369 3.526 0 40 DHAB COc1ccc2nc(C)c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2c1 25767515 MZCVRRJRXJOISL-YVEFUNNKSA-N 312.413 3.860 0 40 DHAB COc1ccc(-c2cc(NC(C)=O)ccc2OC(F)F)cc1 27383291 BAVNVWVVEXOORE-UHFFFAOYSA-N 307.296 3.922 0 40 DHAB CC1CCN(Cc2ccc(C(=O)NC3CCCC3)cc2)CC1 30755238 ARBBWRDXTUMIJX-UHFFFAOYSA-N 300.446 3.591 0 40 DHAB O=C(NCc1ccc2c(c1)OCO2)Nc1cccc2c1CCCC2 31024601 ACIFHHRMDPLBFK-UHFFFAOYSA-N 324.380 3.616 0 40 DHAB C[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1cccs1 32699210 XLNFDDJHCUMECS-NSHDSACASA-N 321.446 3.629 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)cc1 32930808 HZXQUYHUFHDZNQ-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB c1ccc(CCCN2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 35446643 FPGUQPHZLFZNIH-KRWDZBQOSA-N 305.425 3.985 0 40 DHAB biogenic,in-vitro Cc1nc2cc(NC(=O)[C@@H]3CC(=O)c4ccccc43)ccc2s1 38488472 YINBOIIJNSSXBS-CQSZACIVSA-N 322.389 3.913 0 40 DHAB Cc1nnc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 38666506 MGVRBYARKBPNBP-LBPRGKRZSA-N 321.833 3.520 0 40 DHAB Cn1cc(CC(=O)Nc2nc3ccccc3s2)c2ccccc21 38746563 GMQUPMZOWPDRDC-UHFFFAOYSA-N 321.405 3.969 0 40 DHAB COc1cccc([C@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)c1 40039494 ZLRQSXMVMDLWKI-LJQANCHMSA-N 324.424 3.739 0 40 DHAB CC(C)NC(=O)C1(c2ccc(Cl)cc2Cl)CCOCC1 48923050 XZEHKWRWBFTFSG-UHFFFAOYSA-N 316.228 3.566 0 40 DHAB CC(C)Sc1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1 53791193 JVKKLAUNMKFNGL-KRWDZBQOSA-N 315.438 3.651 0 40 DHAB CC[C@H](C(=O)Nc1cccc(COC)c1)c1c(C)noc1C 58201620 CTKDPSLOFSAAPH-HNNXBMFYSA-N 302.374 3.570 0 40 DHAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@@H]1c1cccs1 65434082 YLSKVBYGJXJZIR-TZMCWYRMSA-N 304.415 3.819 0 40 DHAB CCCOc1cccc(NC(=O)N2CCC(OCC)CC2)c1 65576029 JVYDPNOLKCFNKY-UHFFFAOYSA-N 306.406 3.508 0 40 DHAB Cc1cccc(C(=O)N(Cc2ccccc2)CC(F)(F)F)n1 69348647 WMGYFHINAWVFQF-UHFFFAOYSA-N 308.303 3.595 0 40 DHAB Cc1nn(C)c(NC(=O)Nc2ccccc2C(F)(F)F)c1C 69737256 OEDZTVWRAXHGNO-UHFFFAOYSA-N 312.295 3.700 0 40 DHAB Cc1cnn([C@H](C)[C@H](C)NCc2coc(-c3cccs3)n2)c1 69814996 ANOQGVUQBXHHJQ-QWHCGFSZSA-N 316.430 3.647 0 40 DHAB CCN(C(=O)c1cnccn1)[C@@H](C)c1cccc(C(F)(F)F)c1 69980900 LNPCGFGBWSGOKK-NSHDSACASA-N 323.318 3.719 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H](C)OC2CCCC2)n1 72283297 PQHLMNNJNQAQST-ZFWWWQNUSA-N 322.474 3.853 0 40 DHAB COc1ccc([C@@H]2CCC(=O)N2Cc2cc(F)cc(F)c2)cc1 75876654 ZFRJLWLJXMGEPI-KRWDZBQOSA-N 317.335 3.837 0 40 DHAB O=C(Nc1cc(F)ccc1Cl)N(CCO)Cc1ccccc1 76526181 IZKGGQOCAZPRKG-UHFFFAOYSA-N 322.767 3.506 0 40 DHAB CCC[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1 80343797 YMVGSAHCPGFRPV-IKGGRYGDSA-N 317.429 3.578 0 40 DHAB Cc1ncccc1CN1CC[C@H](Oc2ccccc2Cl)C1 93838533 VOQCOLOPLJRQPL-HNNXBMFYSA-N 302.805 3.697 0 40 DHAB O=C(C[C@H]1CCOC1)Nc1ccc(Sc2cccs2)cn1 95403657 CKQAHHUWULKQBA-LLVKDONJSA-N 320.439 3.659 0 40 DHAB COc1ccc2ccccc2c1CNC(=O)[C@@H](C)c1cccnc1 95962867 GGKIYVDGAODIBX-AWEZNQCLSA-N 320.392 3.663 0 40 DHAB Cc1nnc(NC(=O)c2ccc(Oc3cccc(F)c3)o2)s1 96183894 RFMNZENFZJXOGZ-UHFFFAOYSA-N 319.317 3.623 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 96408277 OOARVRYCQMGAJW-BUTRMIIQSA-N 319.470 3.863 0 40 DHAB COCC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 96423530 KGGBYNUOZKEJBW-AWEZNQCLSA-N 313.397 3.528 0 40 DHAB Cc1csc([C@@H](NC(=O)c2cccc(F)c2F)C2CC2)n1 96425457 SERDQPKBGQXKPD-ZDUSSCGKSA-N 308.353 3.611 0 40 DHAB Cc1csc(CN(C)C(=O)c2ccc(F)c(Cl)c2F)n1 97232814 CJQLQPPIDXHYHS-UHFFFAOYSA-N 316.760 3.655 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)Cc2cccc(Cl)c2)c1 224045516 XLJLIXPFXBANJH-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB Cc1ccc(C)c(CC(=O)NCCOc2ccccc2Cl)c1 224391610 VWNLXDUTBCDAEC-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224707144 XBVDRDVDBGWRTG-UHFFFAOYSA-N 309.818 3.728 0 40 DHAB Cc1ccc(C(=O)NCCCN2CCCCCC2)c(Cl)c1 225001708 YMLRETXATWQGDN-UHFFFAOYSA-N 308.853 3.644 0 40 DHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251221237 MZOINQQNPFQCNL-LAQRGFTBSA-N 301.430 3.766 0 40 DHAB Cc1csc(NC(=O)c2ccnc(Cc3ccccc3)c2)n1 257295376 QYBHUBJEXLUGFE-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB CCC[C@@H](CCC[C@H](C)O)COC(=O)c1ccccc1C(=O)O 504052184 KNDRVUYMYPIFIU-KBPBESRZSA-N 322.401 3.509 0 40 DHAB biogenic Cc1cccc(C)c1NC(=O)NCc1cc(C(F)(F)F)on1 585120061 MQUBNUPHIRHHQT-UHFFFAOYSA-N 313.279 3.632 0 40 DHAB COc1ccc(Cl)cc1Nc1ncnc2c1ncn2C1CC1 2298094928 HMPONMYQCRVKKB-UHFFFAOYSA-N 315.764 3.567 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1ccccc1 38401 YKMGPPPSYZTKCI-ZDUSSCGKSA-N 303.789 3.905 0 40 DHAB COc1cc(C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 363011 LJDJAXDLWZCNJF-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB COC(=O)c1ccccc1C[C@H]1Cc2cc3c(cc2C1=O)CCC3 1855516 QPIUDTVBNKEUGK-KRWDZBQOSA-N 320.388 3.560 0 40 DHAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccncc1 2080198 FWMATUKMOGIRBL-UHFFFAOYSA-N 318.804 3.519 0 40 DHAB CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1 2083735 YVWFBAPLEXYSFN-UHFFFAOYSA-N 301.386 3.835 0 40 DHAB CN1C(=O)/C(=C\c2ccco2)N=C1c1ccc(Cl)cc1Cl 2328205 LBLFCHNJWYWLBB-MDWZMJQESA-N 321.163 3.846 0 40 DHAB CN[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4061450 LXUIGQVHABEBDW-JTPNSUKHSA-N 305.506 3.978 0 40 DHAB biogenic CC(C)[C@@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)O 4192747 INLZWQCYKYWHOP-MHHRXVLKSA-N 321.461 3.599 0 40 DHAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3cccnc3)n2C)cc1 6234031 KTVAHAHVIOVWQP-ZZEZOPTASA-N 323.421 3.507 0 40 DHAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)cs2)c(F)c1 7293882 WNRVAPUSNLFGAY-UHFFFAOYSA-N 324.402 3.524 0 40 DHAB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)O 8110962 SASASGDAIGXLID-GIJQJNRQSA-N 319.744 3.563 0 40 DHAB C[C@H](O)CNCc1c(OCc2ccccc2)ccc2ccccc12 8497860 HQIIIXLJDAIIOS-INIZCTEOSA-N 321.420 3.889 0 40 DHAB Cc1cccc2cc(-c3noc(-c4cccs4)n3)c(=O)[nH]c12 9158696 MIDAFXPKJCBXKW-UHFFFAOYSA-N 309.350 3.615 0 40 DHAB CC(C)Cc1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 9513364 ADLUQEJNVHHCIR-GOSISDBHSA-N 324.432 3.527 0 40 DHAB c1ccc(Oc2ccc(Nc3ncnc4[nH]ncc34)cc2)cc1 11856427 DSLPSPZKDSTVLJ-UHFFFAOYSA-N 303.325 3.889 0 40 DHAB CCCCNC(=O)CSc1cc(C)c2cccc(C)c2n1 13028144 NUUIAANSUZVLBX-UHFFFAOYSA-N 302.443 3.860 0 40 DHAB CC(C)[C@H]1CC[C@](C)(C(=O)OCc2ccc3c(c2)OCO3)C1 16892683 SORXWZCCEBTRKW-KSSFIOAISA-N 304.386 3.921 0 40 DHAB O=C(Cc1ccccc1Cl)NCCc1c[nH]c2ccccc12 17294924 PFWXMTSZCNUKJP-UHFFFAOYSA-N 312.800 3.723 0 40 DHAB C[C@H](NC(=O)CCc1ccncc1)c1nc2ccccc2s1 19459849 RFQVLOITXLWOEG-LBPRGKRZSA-N 311.410 3.501 0 40 DHAB COc1ccc(SCC(=O)Nc2ccccc2C)cc1OC 20044485 XKWMDBUFBFXYRC-UHFFFAOYSA-N 317.410 3.743 0 40 DHAB Cc1cc(NC(=O)N[C@H](C)c2cccc(Br)c2)no1 24688588 OZFPKXSJJYIULN-SECBINFHSA-N 324.178 3.628 0 40 DHAB O=C(Nc1nc2ccccc2n1Cc1ccccc1)C1CCC1 27923179 SJDNLQPUUFWNFF-UHFFFAOYSA-N 305.381 3.823 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)on1 31382529 YQTIQARVNRDHGD-HNNXBMFYSA-N 320.392 3.933 0 40 DHAB C[C@@]1(C(=O)Nc2nc(C(F)(F)F)cs2)CC1(Cl)Cl 32471864 CAJNPIWWXAQUEY-ZETCQYMHSA-N 319.135 3.684 0 40 DHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccccc1F 32817565 BQCXVFNSMRIAMT-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB CN(Cc1cccnc1)c1ncc(C(F)(F)F)cc1Cl 33376449 DUWTVBFFMWKSJI-UHFFFAOYSA-N 301.699 3.785 0 40 DHAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)s1 36391256 JLPPJIBKWBYTSO-LBPRGKRZSA-N 305.424 3.990 0 40 DHAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](c2ccccc2)C1 44225385 FICXPEZVUPSCTG-CQSZACIVSA-N 321.829 3.518 0 40 DHAB CCCOc1ccc(CNC(=O)c2ccc(OC)c(F)c2)cc1 46180601 BASVZLXMSPEBQJ-UHFFFAOYSA-N 317.360 3.553 0 40 DHAB CCOC(=O)c1cnc2cc(OC(F)(F)F)ccc2c1Cl 47913005 XQRIHVPOLQTQIZ-UHFFFAOYSA-N 319.666 3.964 0 40 DHAB CC(=O)Nc1cc(NC(=O)c2cccc3ncccc23)ccc1F 58426879 DQKDLMXONVKEBQ-UHFFFAOYSA-N 323.327 3.585 0 40 DHAB COc1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1 58438564 DVVYFMPZUMXWPX-UHFFFAOYSA-N 310.397 3.543 0 40 DHAB CC1(C)C=CN(c2ccccc2OC(F)(F)F)C(=S)N1 59124574 IWACZKHNFXMTGS-UHFFFAOYSA-N 302.321 3.572 0 40 DHAB CC(C)OCc1cccc(NC(=O)c2n[nH]c3ccccc23)c1 60091939 PIQFTGFARYFGEN-UHFFFAOYSA-N 309.369 3.740 0 40 DHAB Cc1cc(C(=O)CCC(=O)Nc2ccnn2C(C)C)c(C)s1 61802141 MCXDEYCZIDTCDM-UHFFFAOYSA-N 319.430 3.744 0 40 DHAB c1ccc(CNC[C@H]2CCCN(Cc3cccs3)C2)cc1 64616034 RVZBMPXOBWFPHX-QGZVFWFLSA-N 300.471 3.750 0 40 DHAB Cc1ccc2o/c(=N\c3ccc(Cl)cc3)c(C(N)=O)cc2c1 67350848 OKMAHXPDYFJABM-JZJYNLBNSA-N 312.756 3.726 0 40 DHAB C[C@H](c1ccncc1)N(C)C(=O)NCC1(c2ccccc2)CC1 71841260 YPKOSFWOHODNFG-OAHLLOKOSA-N 309.413 3.516 0 40 DHAB COc1ccccc1CC(=O)N(C)[C@H](C)c1sc(C)nc1C 71883172 XDXHCGQLJOBFNQ-GFCCVEGCSA-N 318.442 3.531 0 40 DHAB Fc1ccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)cc1 71889763 DAURRJIJFZRXHZ-UHFFFAOYSA-N 324.355 3.972 0 40 DHAB Cc1cc(C)c(C(=O)Nc2cccc(-c3cccs3)c2)c(=O)[nH]1 72240551 WUEUKQHPLZQSAJ-UHFFFAOYSA-N 324.405 3.973 0 40 DHAB Cn1ccc2c(C(=O)Nc3ccc4c(c3)OCCCO4)cccc21 72400760 QXNWUAZRZVHFSV-UHFFFAOYSA-N 322.364 3.592 0 40 DHAB Cc1cccc(C(=O)c2ccccc2CN2CCSCC2)c1 85651624 VCSDPLCDKAUFIQ-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB Cc1cscc1C(=O)NC[C@H](O)c1cc2ccccc2s1 89708901 GRDNDPWVDWZUOA-ZDUSSCGKSA-N 317.435 3.735 0 40 DHAB CCC(CC)n1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2SC)n1 89943228 NASSWAKDYKONDJ-CABCVRRESA-N 309.479 3.600 0 40 DHAB OC[C@H]1N=NC2=CN=C(c3ccccc3)c3cc(Cl)ccc3N21 95869889 JXQLJHYYOMNARQ-INIZCTEOSA-N 324.771 3.581 0 40 DHAB CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C1(c3ccccc3)CCCC1)C2 100747758 WQIVCNLLAVUHIE-PIIMJCKOSA-N 313.441 3.667 0 40 DHAB biogenic CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C)ccc1C 101405898 QFBYVEDMPNEUNS-HWWQOWPSSA-N 302.418 3.508 0 40 DHAB Cc1cc(C(=O)Nc2ccsc2)nn1-c1ccc(F)cc1F 152300037 RBZJDGCZXRSGMA-UHFFFAOYSA-N 319.336 3.773 0 40 DHAB O=C(CC(F)(F)F)N1CCS[C@H](c2ccccc2)CC1 208042260 VITZEDYMBLVZLH-LBPRGKRZSA-N 303.349 3.646 0 40 DHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 222813274 AWXNVONUFHRBMC-KGLIPLIRSA-N 303.456 3.524 0 40 DHAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)cn1 225479414 YTZIXZSNBMISTD-CYBMUJFWSA-N 315.442 3.755 0 40 DHAB COc1ccc(CCC(=O)Nc2cccc(C(C)=O)c2)cc1C 225875958 XWYCEWDWCPJIPU-UHFFFAOYSA-N 311.381 3.778 0 40 DHAB CCc1ccccc1NC(=O)CN1Cc2cc(C)c(C)cc2C1 409195500 QCSLJEKAHQLZFJ-UHFFFAOYSA-N 308.425 3.820 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)Cc2ccsc2C(=O)O)s1 566802032 SJIIWGNCULSUKR-SECBINFHSA-N 310.444 3.713 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@@H](c2cc(Cl)nc(Cl)n2)C1 584646750 ZJRCCMCHCTVHMU-MRVPVSSYSA-N 318.204 3.508 0 40 DHAB Cc1noc(C)c1NC(=O)C1(c2ccc(F)cc2F)CCC1 679008941 HENYCQYRBOZXLZ-UHFFFAOYSA-N 306.312 3.630 0 40 DHAB COc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc1 34779 FXLJEMJLNALXQA-NSHDSACASA-N 312.394 3.935 0 40 DHAB O=C(C[C@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 158138 MHOGUDWEFBUWFC-VIFPVBQESA-N 301.984 3.644 0 40 DHAB Nn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl 346176 IAEMMAYBTOLSEH-UHFFFAOYSA-N 305.168 3.633 0 40 DHAB Cc1ccc2c(=O)nc(-c3ccccc3)n(-c3ccccc3)c2n1 1405533 IAZVINJXHFWZJJ-UHFFFAOYSA-N 313.360 3.756 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@H]1CCCC[C@H]1SCC2=O 1556482 XOHRFHYQHDDXHS-IINYFYTJSA-N 322.426 3.668 0 40 DHAB COC(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2534623 LMQMRYIVMQOHAW-NYYWCZLTSA-N 316.740 3.745 0 40 DHAB COc1ccccc1-c1nnc2sc(/C=C/c3ccco3)nn12 4664942 SDVMNLXLFVWQDH-CMDGGOBGSA-N 324.365 3.625 0 40 DHAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc(C)c1C 5315942 KVXCVEZZNMQOBZ-YNEHKIRRSA-N 321.442 3.916 0 40 DHAB c1cc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)ccn1 5381038 XRBXMBLLFPLALQ-UHFFFAOYSA-N 323.377 3.560 0 40 DHAB Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)c(Cl)c1 5637092 XGZUTNPUVKLIBF-UHFFFAOYSA-N 317.772 3.601 0 40 DHAB CC(=O)c1cccc(NC(=S)NCc2ccccc2F)c1 6297861 IEOOSDLTWZESJU-UHFFFAOYSA-N 302.374 3.515 0 40 DHAB COc1cc(C(=O)Nc2cc(C)cc(C)n2)ccc1OC(F)F 6400081 JAKSMYPEOYDITC-UHFFFAOYSA-N 322.311 3.561 0 40 DHAB CCc1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1 7499863 CYNBTXDTOGUSEB-UHFFFAOYSA-N 310.466 3.747 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 8077461 LVKOPQWFHNJAFT-UHFFFAOYSA-N 320.295 3.786 0 40 DHAB O=C(NC1CC1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 8290227 OHGCAEDTKFRENU-INIZCTEOSA-N 324.405 3.940 0 40 DHAB COc1ccc(C)cc1NC(=O)CSCc1csc(C)n1 9040269 ROLNIWFJSYOKII-UHFFFAOYSA-N 322.455 3.640 0 40 DHAB COc1ccccc1CNC(=O)c1ccc(OC)c2ccccc12 9996153 AVGPGLRFOPLDGI-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB C[C@H](NC(=O)Nn1cnc2ccccc21)c1ccccc1Cl 10402513 FIOLDCUATSTXJG-NSHDSACASA-N 314.776 3.704 0 40 DHAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2c(C)noc2n1 10490906 WRRQAGOGBRODCX-UHFFFAOYSA-N 319.723 3.884 0 40 DHAB O=C(c1ccc(Br)cc1)N1CCc2sccc2C1 10885054 NMWAAIHQFUYLTD-UHFFFAOYSA-N 322.227 3.709 0 40 DHAB C[C@@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)CCO1 11499852 LEIVSZIOILBWKL-SNVBAGLBSA-N 317.435 3.977 0 40 DHAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(Cl)c(F)c1 12186498 BHWRTOMGXHSKLK-PXAZEXFGSA-N 317.795 3.839 0 40 DHAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc1 12528334 JRCLCUCDSACMKE-UHFFFAOYSA-N 304.777 3.840 0 40 DHAB CC(=O)N(C)Cc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 12529561 DBOBOPPZQRHFOB-UHFFFAOYSA-N 313.788 3.633 0 40 DHAB Cc1cc(OCCCC(=O)Nc2cccnc2)ccc1Cl 12536914 ONAJVDSBMLESEY-UHFFFAOYSA-N 304.777 3.841 0 40 DHAB CC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 12732998 FVFPJZDSHTWGRG-LBPRGKRZSA-N 316.426 3.581 0 40 DHAB Cc1cc2n(n1)[C@H](c1ccc3c(c1)OCO3)Nc1c(C)cccc1-2 13123870 OBURCWCCBGTUBS-LJQANCHMSA-N 319.364 3.868 0 40 DHAB O=C(CNc1cc(F)cc(F)c1)N1CCC[C@H]1c1cccs1 14017888 ZMYYQSYMNHABNC-AWEZNQCLSA-N 322.380 3.802 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(OC(C)C)cc1 15471931 FCGYPPNJQYJOTL-CQSZACIVSA-N 313.397 3.973 0 40 DHAB CC(=O)c1ccc(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1 16093529 BGNZERJCMXHIJM-UHFFFAOYSA-N 324.785 3.619 0 40 DHAB Cc1ccc(-c2cc3c(=O)n(Cc4ccccc4)ccn3n2)cc1 17051485 YOLLQGYXIDQHDC-UHFFFAOYSA-N 315.376 3.520 0 40 DHAB O=C(N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1ccncc1 19373854 JAQORNMJQZBIJX-YRXWBPOGSA-N 306.409 3.784 0 40 DHAB CC(C)Nc1ncc(-c2ccccc2F)c(-c2nccn2C)n1 19450364 UYUVLPVACUKGPS-UHFFFAOYSA-N 311.364 3.504 0 40 DHAB CN(C)CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 19582944 LSHGOJAKYYHSBJ-UHFFFAOYSA-N 313.228 3.905 0 40 DHAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1F)NCC2 19809034 VGIGLOVEJWYJPZ-LJQANCHMSA-N 315.388 3.858 0 40 DHAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccccc2)cc1C 22540280 MHJFNUBUEMDRLY-OAHLLOKOSA-N 303.427 3.651 0 40 DHAB CCN(CC)C(=O)c1sc(NC(=O)C2CCCC2)cc1C 24546805 XLFLBMQWWUCALO-UHFFFAOYSA-N 308.447 3.667 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(Br)s2)s1 25472085 SUDMTGRSXWEXLF-UHFFFAOYSA-N 316.245 3.811 0 40 DHAB CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCCc2ccccc21 26462770 VJGVCFVKFIATIJ-AWEZNQCLSA-N 322.408 3.669 0 40 DHAB Cc1ccc(S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 27562125 YZAMVSQPFOKJOA-UHFFFAOYSA-N 315.419 3.951 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCCC2)cc1 27581862 JQMBMAIUENZUJR-HXUWFJFHSA-N 322.452 3.952 0 40 DHAB CCOc1ccc(CCC(=O)N(C)C2CCCC2)cc1OCC 30752625 GTOUPDIJKMZXML-UHFFFAOYSA-N 319.445 3.818 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 31549588 ZTXQNPQSJFMGSV-MEDUHNTESA-N 312.344 3.673 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1F 32586056 FNYDFIWBIIKRSM-UHFFFAOYSA-N 323.389 3.759 0 40 DHAB CCOc1cc(C(=O)Nc2ccc(O)cc2)cc(Cl)c1OC 33649805 QOQGRAJPQFSWHL-UHFFFAOYSA-N 321.760 3.705 0 40 DHAB CCOC(=O)C1=Cc2cc(Cl)ccc2O[C@H]1C(F)(F)F 34560107 YNUXNUIXJWXLAJ-LLVKDONJSA-N 306.667 3.610 0 40 DHAB CCc1cccc2c(C(=O)CN3CCc4ccccc4C3)c[nH]c12 34870200 SPNYAYOSESAXOI-UHFFFAOYSA-N 318.420 3.971 0 40 DHAB CC(C)[C@@H](N[C@H](C)C(=O)NCc1cccs1)c1ccccc1 40002686 OHCMDCOUVYMADX-RHSMWYFYSA-N 316.470 3.740 0 40 DHAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccco3)o2)cc1C 44894134 JPMHWSXAIWLKAB-UHFFFAOYSA-N 324.380 3.800 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)N[C@H](C)c1ccccc1F 45035709 NIOCEVIHHDLKEQ-QWHCGFSZSA-N 304.365 3.800 0 40 DHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 48331752 YSOKLTXJJVGHJR-GOEBONIOSA-N 314.429 3.644 0 40 DHAB COCc1nc(-c2cc(C)n(-c3nccs3)c2C)cs1 49079318 HIMLODSBFAQQRI-UHFFFAOYSA-N 305.428 3.821 0 40 DHAB O=c1[nH]c(CSc2ccccc2O)nc2ccc(Cl)cc12 50046695 DNMMIWHSQODYRP-UHFFFAOYSA-N 318.785 3.574 0 40 DHAB Nc1nc(Cl)cc(N(Cc2ccco2)Cc2cccs2)n1 51649992 WPKPGTJRCFMZLH-UHFFFAOYSA-N 320.805 3.574 0 40 DHAB CSc1ccc([C@@H](C)NC(=O)CCc2ccccn2)cc1 58023470 KUVFLSXSEFMRQP-CYBMUJFWSA-N 300.427 3.614 0 40 DHAB CC(C)Cc1noc(CNc2cccc(OC(F)(F)F)c2)n1 59800097 MONVZGHBOGLPMY-UHFFFAOYSA-N 315.295 3.779 0 40 DHAB COC(=O)c1cnc(/C=C/c2cnc(-c3ccccc3)nc2)s1 65606670 WRKVZYIJJXWJTE-BQYQJAHWSA-N 323.377 3.557 0 40 DHAB O=C(NCc1ccncc1)N1CCC[C@H](c2ccccc2)CC1 67358886 LQSZLXYJHRDTHQ-SFHVURJKSA-N 309.413 3.561 0 40 DHAB COc1cc(-c2cccc(-n3cccn3)c2)ccc1NC(C)=O 67820521 NJSSGIGLLDGZNR-UHFFFAOYSA-N 307.353 3.506 0 40 DHAB CN(C)C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 69703152 ZUXQLCYAXRWSPF-UHFFFAOYSA-N 308.425 3.520 0 40 DHAB COc1cc(F)c(NC(=O)c2cc3ccccc3[nH]2)cc1OC 71884396 LZJKXEYMRQJVBD-UHFFFAOYSA-N 314.316 3.577 0 40 DHAB CCCN1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214500 IBWUMXOEODCTMY-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB C[C@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccccc1 72311608 BGXRPPIXKROVQC-CYBMUJFWSA-N 318.367 3.514 0 40 DHAB C[C@H](NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccnc1 92741269 IOZJKFFQOXQYPD-KBPBESRZSA-N 317.383 3.537 0 40 DHAB c1ccc([C@@H](CC2CC2)NCc2ccc(-n3ccnc3)nc2)cc1 95409540 ILCOXBSXFGXWOV-LJQANCHMSA-N 318.424 3.898 0 40 DHAB Cc1ccccc1-c1nc(COc2cccc([C@@H](C)O)c2)no1 95414772 HKNNSKHZRNGEFP-CYBMUJFWSA-N 310.353 3.677 0 40 DHAB CCC(=O)N1CCC2(CCCN(Cc3ccc(C)cc3)C2)CC1 96158518 NWQGNJIYMRLZPU-UHFFFAOYSA-N 314.473 3.610 0 40 DHAB CC(C)[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccncc1 97212502 DWEKJSKYMRXZNL-DLBZAZTESA-N 301.434 3.753 0 40 DHAB O=C(c1cccnc1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97372135 VIEXYSTWTOICPZ-CQSZACIVSA-N 320.314 3.730 0 40 DHAB O=C1C[C@]2(C[C@H]3C=C[C@H]2C3)C(=O)N1c1ccc(Cl)c(Cl)c1 100754393 OMEDDFSSTSLOIY-PUTJDCORSA-N 322.191 3.839 0 40 DHAB Cc1noc(CCCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 107148414 WHNBNJYPCKYWTM-MLGOLLRUSA-N 315.417 3.692 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)c2)n1 109025155 PWKLGUKJVFLUAD-GRDNDAEWSA-N 307.397 3.827 0 40 DHAB COc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1CO 129336734 GNWCTCKMGOZKTK-VXGBXAGGSA-N 303.324 3.721 0 40 DHAB O=C(Cc1cccs1)N1CCS[C@@H](c2ccco2)CC1 207008031 PQPGLUVSLNETEH-CQSZACIVSA-N 307.440 3.590 0 40 DHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)o3)N21 222651581 RSWOZDZCZVVNTK-DAXOMENPSA-N 313.426 3.962 0 40 DHAB CCc1ccc(O[C@@H](CC)C(=O)N2CCc3ccccc3C2)cc1 222874079 IKRWVDSNCQSRID-FQEVSTJZSA-N 323.436 3.991 0 40 DHAB Cc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1C 226034463 CPSMJCDNMYMAAO-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB Nc1ccc(N2CCCC2)c(NC(=O)c2ccc(Cl)cc2)c1 226255795 ZQLTVTMAEZOOOI-UHFFFAOYSA-N 315.804 3.775 0 40 DHAB Cc1c(Cl)cccc1NC(=O)c1c[nH]c2ccccc2c1=O 339204179 KVPUXNYQVBAPQS-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB COc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Cl 408814127 QFKSOUICMWHWHG-UITAMQMPSA-N 318.181 3.668 0 40 DHAB C[C@H]1C[C@@H]1c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 525713914 SLUCCVYBNVWXMQ-KWQFWETISA-N 300.358 3.914 0 40 DHAB c1csc(-c2cc(-c3nc([C@@H]4Cc5ccccc54)no3)n[nH]2)c1 545584855 JYKBLKHPFIPIRJ-GFCCVEGCSA-N 320.377 3.876 0 40 DHAB C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1cn2ccccc2n1 584479739 FHAGZBDITYUJDK-SWLSCSKDSA-N 311.360 3.648 0 40 DHAB Cc1cc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)cs1 585081860 OQKWMGGUVBKXDJ-GFCCVEGCSA-N 300.427 3.789 0 40 DHAB Cc1cc2c(cc1C)N(C(=O)c1ccncc1OC(C)C)CC2 585082213 GBMGAVFGOLUIQK-UHFFFAOYSA-N 310.397 3.689 0 40 DHAB O[C@@H](CNC1CCCCC1)COc1ccc(Cl)cc1Cl 74218 NPMXYYJBTJOJIW-ZDUSSCGKSA-N 318.244 3.655 0 40 DHAB Cc1noc(C)c1CSc1nnc2sc3ccccc3n12 87777 ISIRIWYVTHOXNI-UHFFFAOYSA-N 316.411 3.841 0 40 DHAB CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc(C)c1C 125811 VGHUAKJVPRGBDI-BQYQJAHWSA-N 319.382 3.787 0 40 DHAB COc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1 226341 VAPBARLWVFKEPA-UHFFFAOYSA-N 323.849 3.517 0 40 DHAB CC(=O)c1sc(NC(=O)/C=C/c2ccc(C)cc2)nc1C 368882 RIYIIOYZFDAUFN-CMDGGOBGSA-N 300.383 3.614 0 40 DHAB O=C(CF)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 369127 BTQUEGUXEZBXBB-SECBINFHSA-N 316.612 3.561 0 40 DHAB O=C1c2cccc3c4ccccc4n(c23)C(=O)C1(Cl)Cl 2507026 MNMZNNAWHMGHHJ-UHFFFAOYSA-N 304.132 3.805 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCCC[C@H]2C)c1 3254040 RPLRJQNMFZPNEH-IAGOWNOFSA-N 305.462 3.733 0 40 DHAB O=C(Cc1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 3561007 WBYOZPLPZGXIST-UHFFFAOYSA-N 313.250 3.906 0 40 DHAB Cn1c(=S)[nH]c2scc(-c3ccccc3Cl)c2c1=O 3887594 KZVKZSGTZAEUNY-UHFFFAOYSA-N 308.815 3.978 0 40 DHAB C[C@@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 4416227 KMIMUNJWKNUUOF-WDSOQIARSA-N 313.441 3.764 0 40 DHAB O=C(CN1c2ccccc2Sc2ccccc21)N1CCCC1 4749282 SESCJIDUIJEVKA-UHFFFAOYSA-N 310.422 3.912 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2c[nH]c3ccccc23)c(C)c1 5137014 UCRUQTXBZNKYQF-UHFFFAOYSA-N 307.349 3.824 0 40 DHAB Cc1ccc(C)c(NS(=O)(=O)c2cccc3cccnc23)c1 5234085 BFFQPQSLEIGKJM-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3ccccc3C)n2)cc1C 5401780 ZBPWINTUSQGQLL-UHFFFAOYSA-N 304.393 3.884 0 40 DHAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)cc1 6416372 GUNAQMOSYHZMAJ-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB Cc1nc(C)c(C(=O)Nc2ccccc2N2CCCC2)s1 6820958 RCOFJGWEHWXIRE-UHFFFAOYSA-N 301.415 3.612 0 40 DHAB CCc1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 6944348 MMEWLEFSIBERNV-UHFFFAOYSA-N 300.383 3.787 0 40 DHAB C[C@H](c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1F 9494263 IGBWFPDGSDUBRD-SNVBAGLBSA-N 310.369 3.658 0 40 DHAB CCSc1nsc(NC(=O)Nc2cc(C)cc(C)c2)n1 9614837 ZKSDVCQTSGEKJY-UHFFFAOYSA-N 308.432 3.911 0 40 DHAB O=C(CCc1ccco1)Nc1ccc2c(c1)nc1n2CCCCC1 12575663 NKFALKGMOUAYRV-UHFFFAOYSA-N 323.396 3.927 0 40 DHAB C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC(F)F)cc1 12751673 HYLXTJOIALYMIA-BXUZGUMPSA-N 312.360 3.666 0 40 DHAB O=[S@](Cc1coc(-c2ccccc2)n1)Cc1ccccc1F 12857798 GTIQFRHKDWQFCU-JOCHJYFZSA-N 315.369 3.930 0 40 DHAB CCn1c(=O)n(Cc2cc(-c3ccccc3)on2)c2ccccc21 14145796 KHFCVQDLALNFAP-UHFFFAOYSA-N 319.364 3.526 0 40 DHAB O=C(c1ccccc1)c1nnc(-c2ccc(Cl)cc2)cc1O 16476897 APCMTOMFHMLWPL-UHFFFAOYSA-N 310.740 3.734 0 40 DHAB O=C(CSc1ccccc1)Nc1nnc(-c2ccco2)s1 16955773 LVKKRMPAQNCERT-UHFFFAOYSA-N 317.395 3.529 0 40 DHAB COc1cccc(CNC(=O)N[C@H](C)c2cccc(Cl)c2)c1 17069947 WGZUPHWFCFWQAN-GFCCVEGCSA-N 318.804 3.909 0 40 DHAB CCO/N=C/c1csc(N(C(C)=O)c2cccc(C)c2C)n1 17696242 CKIXNZKAZLJVRQ-RQZCQDPDSA-N 317.414 3.815 0 40 DHAB O=C(CNCc1ccncc1)N(c1ccccc1)c1ccccc1 21265828 PDRYCGKZLSAYSM-UHFFFAOYSA-N 317.392 3.536 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(C)cc1 22843021 SHFYYVBFKMPRPS-MRXNPFEDSA-N 321.417 3.872 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 24929598 OEENRHDGSQZCNN-KWQFWETISA-N 308.353 3.607 0 40 DHAB CC[C@@H](NC(=O)CCc1ccsc1)c1ccccc1OC 31617408 FSDSIIVETNOELX-OAHLLOKOSA-N 303.427 3.957 0 40 DHAB Cc1cc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2[nH]1 31721946 LTSGUWJDDRHKCC-UHFFFAOYSA-N 320.801 3.931 0 40 DHAB O=Cc1c(Br)nc2ccccc2c1Br 38243211 PSSFBANKPZRHIQ-UHFFFAOYSA-N 314.964 3.572 0 40 DHAB Cc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1C 38487452 VZZODDDNXCRCRK-UHFFFAOYSA-N 317.348 3.862 0 40 DHAB O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccccc1)CCC2 38510771 XMNVZTQDUDPBOF-UHFFFAOYSA-N 317.392 3.542 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 40478337 DZMNKLNYTFZNMB-UHFFFAOYSA-N 323.327 3.671 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)Nc1cccc(Cl)c1F 43449883 DJNTWJCZOAQRMI-UHFFFAOYSA-N 311.744 3.748 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)Cc2cc(C)ccc2C)c1 44849972 JCSUDWIUUWAYDM-UHFFFAOYSA-N 311.381 3.580 0 40 DHAB Cc1cc2nc(N(C)Cc3ccc(F)cc3)c3ccccc3n2n1 58355685 LLDUMWDGDACAFQ-UHFFFAOYSA-N 320.371 3.966 0 40 DHAB CC(=O)c1c(F)cccc1NC[C@@H](O)c1ccc(Cl)cc1 58648683 NVIWPWFBAGKSHF-OAHLLOKOSA-N 307.752 3.827 0 40 DHAB CN(C[C@H]1CCCO1)C(=O)Nc1ccccc1Cc1ccccc1 62580545 KQPKOSLSUCWUHH-GOSISDBHSA-N 324.424 3.920 0 40 DHAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1cccs1 69453424 FLAUBSAKEUSTBH-UHFFFAOYSA-N 301.346 3.540 0 40 DHAB COCCc1noc(CS[C@H](C)c2ccccc2Cl)n1 69705612 HXEZXWHVCBRAAM-SNVBAGLBSA-N 312.822 3.906 0 40 DHAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CC(C1CC1)C1CC1 72234134 WONSBNBEBWUFNU-QGZVFWFLSA-N 315.461 3.527 0 40 DHAB O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc2ccccc2c1 72243823 CMEHFCMQVJWNLY-UHFFFAOYSA-N 319.286 3.851 0 40 DHAB Cc1cc(Br)ncc1NC(=O)C[C@H](C)n1cccc1 72306571 GDTXVHVUHMJORS-NSHDSACASA-N 322.206 3.544 0 40 DHAB C[C@H](CNC(=O)N[C@H](C)c1ccncc1)Sc1ccccc1 76085235 REZIAJMVTLGKSA-ZIAGYGMSSA-N 315.442 3.623 0 40 DHAB CCc1nnc(CN2CCCSc3ccc(Cl)cc32)o1 83834285 DDSGZAABVGJUJD-UHFFFAOYSA-N 309.822 3.788 0 40 DHAB O=C(CCOC1CCOCC1)N1CCCC2(CCCCCC2)C1 84555030 RGLHFLCFXFGTEO-UHFFFAOYSA-N 323.477 3.535 0 40 DHAB O=C(NC[C@H](O)c1ccncc1)c1ccc(C2CCCCC2)cc1 89783329 HBGUMKDDYGLFDS-IBGZPJMESA-N 324.424 3.593 0 40 DHAB CN(CCc1ccccn1)c1cc(Br)ccc1F 95915622 VNQTUVADTWLXOC-UHFFFAOYSA-N 309.182 3.662 0 40 DHAB O=C(O)CCc1ccc(NC(=O)c2ccc3ncccc3c2)cc1 95972529 HGZALRIPGLXNOI-UHFFFAOYSA-N 320.348 3.504 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NC[C@@H]1CCN(C2CC2)C1 96476606 YWNSPUQHHJOWJP-MAUKXSAKSA-N 312.457 3.507 0 40 DHAB Cc1cccc(OCC(=O)NC(C)(C)Cc2ccccc2)c1C 96761813 PUPILNZVHDXQEC-UHFFFAOYSA-N 311.425 3.820 0 40 DHAB C[C@H](NC(=O)Cn1ccnc1-c1cccs1)c1cccs1 97037383 VVRZKFKHVGLGSG-NSHDSACASA-N 317.439 3.551 0 40 DHAB COCc1ccc([C@H]2CCCN2C(=O)NCc2ccsc2)o1 97147984 JQJWRAIZNHEHJB-CQSZACIVSA-N 320.414 3.534 0 40 DHAB COc1ccc(CSCC(=O)NCc2ccc(C)cc2)cc1 113935377 LWXRCAALFHGNMT-UHFFFAOYSA-N 315.438 3.553 0 40 DHAB Cc1cc(Cl)ccc1CNCc1cccnc1-n1ccnc1 128892292 CRSQVSTZQGVWMM-UHFFFAOYSA-N 312.804 3.519 0 40 DHAB FC(F)(F)c1cccc(CNc2nnc([C@H]3CCCO3)o2)c1 181969966 SHPPXAYTAWEEHU-LLVKDONJSA-N 313.279 3.552 0 40 DHAB CC(C)c1nccn1CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 182818020 HGPOKIRMBDMLNB-GFCCVEGCSA-N 321.371 3.504 0 40 DHAB CO[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225134972 SNQQDWDJHLGDOJ-OAHLLOKOSA-N 306.745 3.774 0 40 DHAB COc1ccc(F)c(CN[C@@H]2CCCc3cnn(C(C)C)c32)c1 585085840 DLRQQNUPTQIXQD-QGZVFWFLSA-N 317.408 3.779 0 40 DHAB CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N 148908 KGQYQOBFNHOQGH-UHFFFAOYSA-N 304.463 3.534 0 40 DHAB COc1cccc(C(=O)Nc2cccc3cccnc23)c1OC 362686 IZZXAZGVGRGKBW-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB COc1cc(OC)c(C(=O)Oc2ccc(Cl)cc2)cc1OC 365398 FPOKSYLEHKHUTR-UHFFFAOYSA-N 322.744 3.585 0 40 DHAB CCOc1ccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1 530169 WZROQQQMEKDVDC-QZTJIDSGSA-N 320.396 3.823 0 40 DHAB Cc1ccc(-n2ncc3c(NCc4ccccc4)ncnc32)cc1 545754 JXNBTQUNJALWNT-UHFFFAOYSA-N 315.380 3.736 0 40 DHAB CCC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1ccc(OC)cc1 564341 BTIZYNZKWXCEPW-LJQANCHMSA-N 324.380 3.633 0 40 DHAB O=C1Nc2ccccc2[C@@H]1c1ncc(C(F)(F)F)cc1Cl 1388161 CSPDBGTYEXNEIV-LLVKDONJSA-N 312.678 3.838 0 40 DHAB COc1cccc(-c2c(C(=O)O)cc(O)c3c(OC)cccc23)c1 1672458 CXGIXTAABARVIA-UHFFFAOYSA-N 324.332 3.928 0 40 DHAB CCOC(=O)c1cnc2c(Cl)cccc2c1NCCCOC 1774679 LLJCBEFIWSUTNV-UHFFFAOYSA-N 322.792 3.513 0 40 DHAB CC(C)c1ccc(OCCCC(=O)O)c(Br)c1 1791638 VNLMJALUKJHJPK-UHFFFAOYSA-N 301.180 3.816 0 40 DHAB CCCCC(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl 2073563 RMKBFFOOOSRPBN-UHFFFAOYSA-N 310.825 3.855 0 40 DHAB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1C1CCCCC1 2309039 RGRBDZYQLCKZEX-NTEUORMPSA-N 304.415 3.934 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)cc1 3459498 RNDHVCAWOULCFR-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)C2CC2)c2ccccc2)c1 5117427 YRTOZROKOQLMRJ-SFHVURJKSA-N 323.392 3.936 0 40 DHAB COc1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1 5616916 OFTWXKVELRMKPH-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1ccc(F)cc1 6097973 XVZNGMMHWBQOJL-LLVKDONJSA-N 319.405 3.507 0 40 DHAB CCCc1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1 6636487 BGCQGCXRHAUVPR-UHFFFAOYSA-N 300.431 3.712 0 40 DHAB CCSc1ncc(Cl)c(C(=O)Oc2ccc(F)cc2)n1 6810462 LGMRWBBETCWXLS-UHFFFAOYSA-N 312.753 3.600 0 40 DHAB O=C(/C=C/c1cccc(F)c1)OCC(=O)c1c[nH]c2ccccc12 6886782 LNQHEIYUBISOHK-CMDGGOBGSA-N 323.323 3.746 0 40 DHAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)o1 7113325 FIBUWSHQVJNNSC-CYBMUJFWSA-N 310.275 3.717 0 40 DHAB CC(C)[C@H](C)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 8734171 KBCQIGVKIHOUJW-NSHDSACASA-N 322.405 3.734 0 40 DHAB Cc1csc(SCC(=O)N2CCSc3ccccc32)n1 10213155 IYJSXKZOYGYXGT-UHFFFAOYSA-N 322.480 3.683 0 40 DHAB Cc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 10496432 HJZGOOWNEGRQSW-UHFFFAOYSA-N 301.405 3.967 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 10956921 QCAMCZBGXHAJLY-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB CCC(CC)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 12771268 AFQLLAHTBIXFLX-UHFFFAOYSA-N 316.426 3.919 0 40 DHAB COc1cc(C(C)=O)ccc1OCc1nc2ccccc2nc1C 12940241 IMUAXAWHJRQJAV-UHFFFAOYSA-N 322.364 3.728 0 40 DHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccccc1F 13009623 GDQIUQOXAAZLAB-AWEZNQCLSA-N 305.349 3.932 0 40 DHAB Cc1cc(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c(C)c1 14254775 SRNPQQFQWVYFIL-UHFFFAOYSA-N 311.353 3.691 0 40 DHAB C[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1ccccc1 14604998 PZKVKTFZFULMGA-ZDUSSCGKSA-N 303.789 3.639 0 40 DHAB COC(=O)c1ccccc1N(C)C(=O)Nc1ccccc1Cl 16188855 DIVQEUIBLOOMRU-UHFFFAOYSA-N 318.760 3.795 0 40 DHAB CC(C)CNC(=O)CSCc1ccc(Cl)cc1Cl 18201000 IZIXJKWAAPQFJL-UHFFFAOYSA-N 306.258 3.999 0 40 DHAB COc1ccc(COc2ccc(Br)cc2C=O)cc1 20362264 NJXRREPHOPEYPB-UHFFFAOYSA-N 321.170 3.849 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)N1CCc2ccccc2C1 20461028 NCYSBEQQAISGLL-OAHLLOKOSA-N 309.409 3.601 0 40 DHAB CS(=O)(=O)Nc1ccc2nc(-c3cccc(Cl)c3)oc2c1 20897119 BLEFOTMEXURVIK-UHFFFAOYSA-N 322.773 3.520 0 40 DHAB CN(C)C(=O)[C@H]1CCCN1Cc1sc2ccccc2c1Cl 22014779 WCLVHAYALPEKEG-GFCCVEGCSA-N 322.861 3.607 0 40 DHAB O=C(CCc1ccccc1O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 23387222 PGSKNOHOLBQFGT-OLZOCXBDSA-N 315.335 3.562 0 40 DHAB COc1ccc(CNC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 24957417 ZJUXRPXQXQHFBM-NSHDSACASA-N 320.339 3.534 0 40 DHAB COc1ccc(-c2nnc([C@H](C)N3C[C@@H](C)C[C@@H](C)C3)o2)cc1 25507892 QCBYCAKLDSMCBZ-MJBXVCDLSA-N 315.417 3.784 0 40 DHAB Cc1cc(CN(C)C(=O)c2cc3c(s2)CCCCCC3)no1 31658332 HYOBCPUPVCKGEV-UHFFFAOYSA-N 318.442 3.976 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 32900358 RCYYKFYYIIRAPA-MRXNPFEDSA-N 319.408 3.634 0 40 DHAB c1ccc([C@@H]2CCCN2Cc2cnn(-c3ccccc3)n2)cc1 32927393 ZEWHXOUBPQBZFY-IBGZPJMESA-N 304.397 3.604 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccc2c(c1)OCO2 33436742 BKHOZTACONAJEC-WQTVUKCASA-N 323.392 3.566 0 40 DHAB Cc1ccc(C(=O)c2ccc(I)cc2)cc1 34184466 PLVOIHKMHMFYMR-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB C[C@@H](Sc1ncccc1Cl)c1nnnn1-c1ccccc1 40127853 AMCSDRQHSFMHLG-SNVBAGLBSA-N 317.805 3.564 0 40 DHAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)c2nc(C)cs2)c1 40145561 GIUXCNSOBIDWPQ-NSHDSACASA-N 324.833 3.844 0 40 DHAB COc1ccc([C@@H](O)c2ccccc2Br)cc1F 40263028 ARKACYJHKWZIPZ-CQSZACIVSA-N 311.150 3.679 0 40 DHAB CC(C)c1ccc([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1 40309977 DWFMRWCKZQXXCA-AZUAARDMSA-N 306.409 3.735 0 40 DHAB biogenic COc1ccc([C@H](C)NCc2cnn(C(C)(C)C)c2)c(OC)c1 42926786 LZANOVSWANCXJZ-ZDUSSCGKSA-N 317.433 3.506 0 40 DHAB Cc1ccc(C)c(NC(=S)NCCCN2CCC[C@H](C)C2)c1 44080836 KTEUWZDFLMRPAA-HNNXBMFYSA-N 319.518 3.712 0 40 DHAB O=C(COc1ccc(F)cc1)NCc1ccc2ccccc2c1 45201021 CBIBMAUZWOWGAQ-UHFFFAOYSA-N 309.340 3.674 0 40 DHAB Cc1ncc(CN(C)C(=O)Nc2cccc3cnccc23)s1 47325277 UPPYTYQSLRYEIT-UHFFFAOYSA-N 312.398 3.664 0 40 DHAB Cc1ccc(NC(=O)C2CCCC2)c(OC[C@H]2CCCO2)c1 55652815 HUKQBBSINFCWDV-OAHLLOKOSA-N 303.402 3.682 0 40 DHAB CCOC(=O)c1cc2cc(NC(=O)NC(C)C)ccc2s1 58172031 DPUZLBDNAZINRK-UHFFFAOYSA-N 306.387 3.608 0 40 DHAB Cc1cc(Br)ccc1N(C)C(=O)c1ccnc(F)c1 60318715 XMIHNXNTZDAALS-UHFFFAOYSA-N 323.165 3.568 0 40 DHAB COc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cn1 65488075 AZLZTEJRPIYVHU-UHFFFAOYSA-N 315.373 3.660 0 40 DHAB CC[C@@H](C(=O)N[C@H](C)Cc1ccccc1C)c1c(C)noc1C 65608474 HXRYVWALFLLKCE-CXAGYDPISA-N 314.429 3.841 0 40 DHAB C[C@@H]([C@@H](C)NCc1csc(-c2ccsc2)n1)n1cccn1 69372530 YXEKXFUUSREJKH-NEPJUHHUSA-N 318.471 3.807 0 40 DHAB CCN(Cc1ccccc1)C(=O)Cc1nc(-c2ccco2)oc1C 69740531 ISSFLVNCUXKPCR-UHFFFAOYSA-N 324.380 3.834 0 40 DHAB Cc1cnn(C[C@H]2CCCN2C(=O)c2oc3ccccc3c2C)c1 70013653 YWRXWZZXLPMNLB-OAHLLOKOSA-N 323.396 3.551 0 40 DHAB CCN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214394 HAUNIPIPAFSPKJ-CQSZACIVSA-N 305.422 3.976 0 40 DHAB CC(C)c1cccc(NC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)c1 75092582 ISZWEHJFPYQBLI-SJORKVTESA-N 312.417 3.922 0 40 DHAB COc1ccc(CSCc2nnc(C3CC3)n2C)cc1Cl 95459453 YCTAEOKHFLCRGQ-UHFFFAOYSA-N 323.849 3.788 0 40 DHAB Cc1cc([C@@H](NCc2ccnc(N(C)C)n2)C(C)C)c(C)s1 95988221 BMGHJVPUEPIYSU-INIZCTEOSA-N 318.490 3.708 0 40 DHAB CC(C)C[C@@H]1C[C@H](NC(=O)c2cc3cccc(F)c3o2)CCO1 95991264 YUOOUCXBJFPOJZ-ZIAGYGMSSA-N 319.376 3.895 0 40 DHAB CO[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccc(C)s1 96104683 DUPCIUYGOQMEHL-HNNXBMFYSA-N 315.394 3.920 0 40 DHAB CN(C(=O)CCCC(=O)c1ccc(Cl)cc1)c1nccs1 96408461 VTYLMUAROGEJDR-UHFFFAOYSA-N 322.817 3.813 0 40 DHAB CC[C@H]1CN(C(=O)Nc2cccc([C@@H](C)OC)c2)CCS1 96434538 VRTUCOLZILKZPX-DOMZBBRYSA-N 308.447 3.753 0 40 DHAB Cc1ccccc1[C@@H]1CCCN1Cc1nc2ccccc2[nH]c1=O 97201671 HNYCDJKCINCFKC-IBGZPJMESA-N 319.408 3.569 0 40 DHAB C[P@@](=O)(Nc1ccc(F)cc1)c1nc2c(s1)CCCC2 101023698 QYSYQJWWFWMSIS-IBGZPJMESA-N 310.334 3.806 0 40 DHAB Cc1cccc(NC(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCC(C)C)c1 106979320 ACLLRPQGCZNMJF-HYVNUMGLSA-N 302.418 3.662 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N(Cc1nccn1C(F)F)C1CC1 110568046 JIOSXHAYTZXQQE-RWMBFGLXSA-N 323.387 3.596 0 40 DHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113951566 SSVZZSXNBFNIRC-VQHPVUNQSA-N 301.430 3.766 0 40 DHAB CC(C)(C)OCC(=O)N(Cc1ccccn1)c1ccc(F)cc1 182543931 AKFIMPWJLGUASN-UHFFFAOYSA-N 316.376 3.569 0 40 DHAB C[C@H]1C[C@@H](c2cccnc2)N(Cc2nc3ccccc3n2C)C1 190961529 BUVJDJZXNPLQCC-KSSFIOAISA-N 306.413 3.551 0 40 DHAB Cc1nc(NC(=S)NC2CCCC2)c(Cl)cc1Cl 224033017 UOONZHIKHDZIMR-UHFFFAOYSA-N 304.246 3.926 0 40 DHAB Cc1cc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 225018634 UQBGUTBLXPOYLW-UHFFFAOYSA-N 324.424 3.701 0 40 DHAB COc1cccc(NC(=S)NCCCc2ccc(F)cc2)c1 225546474 RBKSRDQUGYKYPD-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB Cc1cccc(NC(=S)NCCCSCc2ccco2)n1 225595421 JSFJMUPKXIZVCM-UHFFFAOYSA-N 321.471 3.593 0 40 DHAB CCc1ccc(NC(=S)NC2(CCOC)CCCC2)cc1 225850428 NNHPMYUBDBVLHO-UHFFFAOYSA-N 306.475 3.885 0 40 DHAB CCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225900646 DBEVNLQASFVEFU-FZKQIMNGSA-N 320.433 3.713 0 40 DHAB CCCOC1(C(=O)Nc2ccc(OC)nc2)CCCCCC1 225909988 ZPYGQFWRVMVDGL-UHFFFAOYSA-N 306.406 3.548 0 40 DHAB Cc1nnc(N2CCC(c3noc4cc(F)ccc34)CC2)s1 291089733 JEBUDDQMQQKSBT-UHFFFAOYSA-N 318.377 3.511 0 40 DHAB CCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)c2ccccc21 409117754 OXXQKHXWEYYISJ-LGMDPLHJSA-N 321.376 3.770 0 40 DHAB CCSCCSCc1cnc(Cl)c(C(=O)OC)c1 585118858 FOFGNKBASBUKEW-UHFFFAOYSA-N 305.852 3.508 0 40 DHAB Cc1nc(Nc2ccc(C)c(F)c2)cc(C2CCOCC2)n1 1888876071 UGGLPZKMKWCIOY-UHFFFAOYSA-N 301.365 3.870 0 40 DHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1ccccc1 2087164204 PTKCEKFUHZAHDH-UHFFFAOYSA-N 320.410 3.895 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1COc2ccccc2O1 528773 NPERYUIRWARMQJ-AWEZNQCLSA-N 324.163 3.772 0 40 DHAB Cc1nc(SCc2ccc(C(=O)O)cc2)nc2c1CCCC2 810566 ZZBXCIDXFRKKDM-UHFFFAOYSA-N 314.410 3.654 0 40 DHAB C[C@@](CN1CCCC1)(Oc1ccccc1)C(=O)c1ccccc1 1570858 UAQAYRICCZLYQR-FQEVSTJZSA-N 309.409 3.803 0 40 DHAB Sc1nc(S)nc(Oc2ccc(-c3ccccc3)cc2)n1 1588766 LTRCIOFKUVAJRC-UHFFFAOYSA-N 313.407 3.908 0 40 DHAB Cc1ccccc1Cc1nnc2sc(Cc3ccccc3)nn12 2183305 NVVLVVHXNDDPOV-UHFFFAOYSA-N 320.421 3.676 0 40 DHAB CCN(CC)CCCOC(=O)C1(c2ccccc2)CCCC1 2269088 CJUMSMMWZFHYSW-UHFFFAOYSA-N 303.446 3.774 0 40 DHAB Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c(O)c1 5066043 BXTGABFMOBASPR-UHFFFAOYSA-N 309.287 3.901 0 40 DHAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](/C=C/c2ccccc2)N1 5515243 NYBRWZYJSBALAQ-NDZBKKTDSA-N 318.376 3.521 0 40 DHAB COc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 5681039 QAFGGRLDPGUHDV-UHFFFAOYSA-N 313.441 3.918 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CCc2ccccc2)c1 5698319 JXBJDLVFOFOBRE-MRXNPFEDSA-N 317.454 3.603 0 40 DHAB CC(C)Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 5817431 GBXSXYPMIFTYHI-UHFFFAOYSA-N 312.321 3.658 0 40 DHAB biogenic C[C@@H](c1ccccc1)N(C(=O)N(C)C)[C@H]1CCOC(C)(C)C1 6662148 AKINERRJXZFIDE-HOCLYGCPSA-N 304.434 3.689 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C)cs2)c1C 7766397 NMXFHIPGEHFBBY-LLVKDONJSA-N 322.455 3.963 0 40 DHAB Cc1cc(CSc2nnc(NCc3ccccc3)s2)no1 7819751 GINHCOALJYIPFC-UHFFFAOYSA-N 318.427 3.739 0 40 DHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cccc(F)c1 8320666 OBFZXUMRTOXFMF-AWEZNQCLSA-N 304.390 3.663 0 40 DHAB Cc1cccc(Oc2ccc(NC(=O)c3cnn(C)c3)cc2)c1 8705641 XVMYGYFKEAXVNL-UHFFFAOYSA-N 307.353 3.773 0 40 DHAB CC[C@H](Nc1cc2oc3ccccc3c2cc1OC)C(=O)OC 9368714 GQNOXUZWALYCER-ZDUSSCGKSA-N 313.353 3.958 0 40 DHAB Cc1c(C(=O)NC[C@@H]2CCCO2)oc2c1ccc1ccccc12 9483480 KRRASGBEJZPKTF-AWEZNQCLSA-N 309.365 3.803 0 40 DHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1 10925027 UIUKKROFMSTKKR-UHFFFAOYSA-N 314.772 3.941 0 40 DHAB CCCN1CCCc2cc(CCNC(=O)c3ccccc3)ccc21 11612973 IUIAAKGLLQWOJH-UHFFFAOYSA-N 322.452 3.822 0 40 DHAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12560104 VSGXIFXLNCURFQ-MRXNPFEDSA-N 309.344 3.679 0 40 DHAB COc1ccc(NC(=O)/C=C(\C)N[C@H]2CCCC[C@@H]2C)cc1 12627571 OSTBZBOZKDCOFF-DTEPVXQDSA-N 302.418 3.706 0 40 DHAB Cc1c(C(=O)Nc2cccc(C(N)=O)c2)sc2ccccc12 12672899 WYMSEBBKFGOTNY-UHFFFAOYSA-N 310.378 3.561 0 40 DHAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1Cc2ccccc2O1 12980331 DUYCDYJMTWFHCW-LJQANCHMSA-N 323.392 3.950 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nccn1C 13064069 BEQRFJJYGDLPRH-RDBSUJKOSA-N 310.463 3.516 0 40 DHAB CCOC(=O)c1ccc(NC(=O)CCc2ccccc2)c(C)c1 13674101 ZVZPRFKJHNXXJR-UHFFFAOYSA-N 311.381 3.743 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 14257546 HGROAUGYGZIAAQ-UHFFFAOYSA-N 321.229 3.558 0 40 DHAB CCOC(=O)c1ccsc1NC(=O)/C=C/c1ccc(F)cc1 14622687 FPEQQKUWLUWSOR-VMPITWQZSA-N 319.357 3.716 0 40 DHAB CCc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19359634 KMYQSMSZAJOVQP-HKBOAZHASA-N 310.485 3.579 0 40 DHAB Cc1nccn1-c1ccccc1CNC(=O)Nc1ccccc1 19932539 YUPNIFVQJGTZPR-UHFFFAOYSA-N 306.369 3.502 0 40 DHAB COc1ccc(/C=C/C(=O)N(C)C2CCC(C)CC2)cc1OC 25624555 QVIQOAYYZTXECA-XYOKQWHBSA-N 317.429 3.754 0 40 DHAB CCCN(CCC)S(=O)(=O)c1cc(Cl)ccc1OCC 27588216 HDSLJMREONLNHS-UHFFFAOYSA-N 319.854 3.549 0 40 DHAB COc1ccccc1[C@H](CNc1nc2ccccc2o1)N(C)C 29329109 QXRUXBLOXCGFKX-HNNXBMFYSA-N 311.385 3.551 0 40 DHAB Cc1nc(-c2ccccn2)sc1C(=O)N1[C@@H](C)CCC[C@@H]1C 31864598 VGRDSRLAQFIYAV-RYUDHWBXSA-N 315.442 3.917 0 40 DHAB COc1cccc(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 32029410 SCTLJWWCGPPCLX-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB CCC[C@H](C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39755705 MVWWNSSSUAUWLH-AWEZNQCLSA-N 322.880 3.857 0 40 DHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1ccsc1 40534468 JPOLYKHXJKEGQZ-OAHLLOKOSA-N 304.415 3.649 0 40 DHAB CCCc1cc(Br)ccc1OC[C@H]1CCCNC1 42774479 DHKCJIKECTUIHD-LBPRGKRZSA-N 312.251 3.780 0 40 DHAB CSc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1 44918868 YSSMQAPLIVDTFW-UHFFFAOYSA-N 308.406 3.681 0 40 DHAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C2CCC2)C1 48313377 CGKXGEHWHBMPTD-IYBDPMFKSA-N 314.473 3.581 0 40 DHAB C[C@H](SCc1cccc2ccccc12)C(=O)Nc1ncccn1 58485839 BOPBOUJNAMURFX-ZDUSSCGKSA-N 323.421 3.890 0 40 DHAB CCN(C(=O)c1cc(=O)c2ccccc2[nH]1)c1cc(C)cc(C)c1 64857750 YMDKFAJMKVKVCE-UHFFFAOYSA-N 320.392 3.812 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1[C@@H]1CCc2ccccc21 65184405 ZIEFSYYBXLLBCJ-MRXNPFEDSA-N 313.784 3.749 0 40 DHAB CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 68708941 VEVRPWOVEZKKPT-BBRMVZONSA-N 320.408 3.873 0 40 DHAB CC(C)c1nc(CCNC(=O)c2c(F)cccc2F)cs1 69570140 JDHIKNVUXLLATJ-UHFFFAOYSA-N 310.369 3.517 0 40 DHAB CC[C@@H](C)[C@@H](C)N(C(=O)Nc1cc(C(N)=O)ccc1C)C1CC1 71921477 HTLDBWAXGFCJDW-DGCLKSJQSA-N 317.433 3.525 0 40 DHAB CN1C(=O)Cc2cc(-c3csc(-c4cccc(O)c4)n3)ccc21 78497061 SZPAIXAQMBGYAY-UHFFFAOYSA-N 322.389 3.702 0 40 DHAB CCn1ccnc1CNc1cc(C(C)(C)C)nn1-c1ccccc1 79073339 FONPMWVTHXCRBB-UHFFFAOYSA-N 323.444 3.998 0 40 DHAB Cc1nnc(CN(Cc2ccc(Cl)c(F)c2)C(C)(C)C)o1 93767780 XFWHDVJDIQJCFQ-UHFFFAOYSA-N 311.788 3.971 0 40 DHAB COC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(N)cc2)cc1 95938186 XOERXLWVJMDHDW-QZTJIDSGSA-N 323.392 3.708 0 40 DHAB CC(C)CN1CCC(N[C@H]2CC(C)(C)Oc3ccccc32)CC1 95967255 JXCCFADSSRXDFJ-SFHVURJKSA-N 316.489 3.999 0 40 DHAB Cc1nnc(CS[C@H](C)c2ccc(OC(F)F)cc2)o1 96467849 SVPKANZEWNOYIT-MRVPVSSYSA-N 300.330 3.974 0 40 DHAB Cc1ccc(CN[C@H](C)c2cn(C)nc2C)c(Br)c1 96483927 RHXYAKJPUJKZKP-LLVKDONJSA-N 322.250 3.650 0 40 DHAB CC(C)c1nccn1Cc1nnc(-c2ccccc2Cl)o1 96500027 GZVFMBFGSYHIFE-UHFFFAOYSA-N 302.765 3.758 0 40 DHAB c1ccc(-c2nnc(Cn3ccnc3-c3ccccn3)s2)cc1 97146013 MEYOWYMXQKMXBV-UHFFFAOYSA-N 319.393 3.512 0 40 DHAB Cc1ccccc1Cc1nnc(NC(=O)c2ccccc2)s1 98086586 NYKOKZNKEHGKPO-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB Cc1cc2nc(CSc3ccc(Cl)cc3)cc(O)n2n1 100312527 LXGGLQZWJHWJPD-UHFFFAOYSA-N 305.790 3.689 0 40 DHAB COc1cc(C=O)ccc1OCCCN1[C@@H](C)CCC[C@@H]1C 217791105 FAIPTXGOFBMLBZ-GJZGRUSLSA-N 305.418 3.540 0 40 DHAB CC[C@@H](NC(=O)Cc1ccccc1F)c1ccc(OC)c(C)c1 225452461 WBQCNQYSVGYPCU-QGZVFWFLSA-N 315.388 3.953 0 40 DHAB CC[C@H](CNC(=S)Nc1ccc(C)cn1)Cc1ccccc1 225633802 HPRCRNBKHQADFZ-HNNXBMFYSA-N 313.470 3.945 0 40 DHAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccccc1 225792798 PKBGBPORJICNEG-UHFFFAOYSA-N 303.365 3.628 0 40 DHAB Cc1csc(-c2cc([C@@H]3CCCN(C(C)C)C3)nc(C)n2)n1 257232384 GKRGUGMRNJSHRG-CQSZACIVSA-N 316.474 3.805 0 40 DHAB Cc1ocnc1CNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 563024683 GQPGQGUWIOIVGE-INIZCTEOSA-N 313.401 3.666 0 40 DHAB O=C(NCC[C@H](CCO)c1ccsc1)c1ccccc1Cl 575606864 KFBGJDFEAXKKJH-GFCCVEGCSA-N 323.845 3.688 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H](C)Cc1csc2ccccc12 575621764 TZPWWKVTYUXMMO-JTQLQIEISA-N 314.410 3.867 0 40 DHAB O=C(O)c1cc(-c2ccccc2OC[C@H]2CCOC2)ccc1F 579853326 MGRFKWUKXDEWBK-LBPRGKRZSA-N 316.328 3.606 0 40 DHAB Cn1cc(CNc2ccc3oc(CO)cc3c2)c(C(C)(C)C)n1 585118654 XMOIJZVOQQJCPE-UHFFFAOYSA-N 313.401 3.568 0 40 DHAB Oc1nc(Cl)cc(N2CCCC[C@H]2Cc2ccccc2F)n1 585123312 KUTHJTDJALDTQA-LBPRGKRZSA-N 321.783 3.576 0 40 DHAB CC[C@H](C(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2)c1ccccc1 1565520157 HBQHEGBGVQMQIZ-LNLFQRSKSA-N 323.440 3.771 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)CSc2nccn2C)cc1 31501 SEBHNTDAWYDYBH-GFCCVEGCSA-N 303.431 3.664 0 40 DHAB O=C(c1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 325234 BORZWSKDMIEBQG-INIZCTEOSA-N 319.364 3.714 0 40 DHAB O=C1NCCC1(Sc1ccccc1)Sc1ccccc1 481819 NSINOBZBDRFJAN-UHFFFAOYSA-N 301.436 3.787 0 40 DHAB O=C(c1cccs1)N1CCC(c2nc3ccccc3[nH]2)CC1 1326589 NGOREZOOBYLEHV-UHFFFAOYSA-N 311.410 3.644 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1 1753346 KVXMNXYDSOBVIQ-UHFFFAOYSA-N 302.305 3.646 0 40 DHAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1Cl 1934127 MFIHEQXKUHYFCX-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB CC[C@@H]([C@@H]1CCc2cc(OC)ccc2C1=O)C(C)(C)C(=O)O 3850150 GIDGBYWSPGIDEX-GJZGRUSLSA-N 304.386 3.577 0 40 DHAB biogenic O=C(Nc1ccc2sccc2c1)[C@@H]1COc2ccccc2O1 4088536 OTTCWUHJEXAFDO-HNNXBMFYSA-N 311.362 3.680 0 40 DHAB COCCNC(=O)c1sc2cc(Cl)ccc2c1Cl 4832751 RTBLHTDDKOIULN-UHFFFAOYSA-N 304.198 3.584 0 40 DHAB Cc1ccc(N(Cc2cccc(Cl)c2)S(C)(=O)=O)cc1 6300248 LGPXORJMYUITDG-UHFFFAOYSA-N 309.818 3.615 0 40 DHAB O=Cc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 7263374 UUXRLANNJMKJHK-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C)CC1=O 7881956 SPWYNODZBMQUHA-INIZCTEOSA-N 322.408 3.549 0 40 DHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC2)cc1 8077156 BXJMHNQCEIMMBG-UHFFFAOYSA-N 317.392 3.740 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2O)c1 8215309 KNQVALGGSWGZCU-LLVKDONJSA-N 305.761 3.760 0 40 DHAB CSc1ncc(CNC2(c3ccccc3F)CCCC2)cn1 12344724 YVFOPDXJFFWVDK-UHFFFAOYSA-N 317.433 3.897 0 40 DHAB O=C(NCCCn1ccc2ccccc21)c1ccc(F)c(F)c1 12562529 RSPKEOFRUKXSAC-UHFFFAOYSA-N 314.335 3.740 0 40 DHAB CCCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 12910869 AKIOADUDJAESSY-UHFFFAOYSA-N 305.809 3.754 0 40 DHAB Cc1ccc(CC(=O)NCCSCc2ccccc2)cc1C 13677727 KGKMSZIKVGEPPV-UHFFFAOYSA-N 313.466 3.896 0 40 DHAB CCc1cc(C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)on1 19522772 QNPXYBONLNWHNH-CAMMJAKZSA-N 324.424 3.939 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 22088246 NMHJEMULVWDAJX-NWDGAFQWSA-N 306.456 3.810 0 40 DHAB Cc1ccc(-c2noc(COC(=O)c3ccccc3F)n2)cc1 25110885 MZIUUFOROQPEDX-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 28210471 WFPJDHNJYXQFMJ-UHFFFAOYSA-N 323.270 3.744 0 40 DHAB C[C@@H]1Cc2cc(-c3cc(C(=O)O)c4ccccc4n3)ccc2O1 31775906 DUHXYVGXFLZVCF-LLVKDONJSA-N 305.333 3.923 0 40 DHAB C[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccccc1Cl 35135353 QQFRTXMPVBRLHM-SNVBAGLBSA-N 303.745 3.529 0 40 DHAB CCOc1ccc([C@H]2CCCN2Cc2nnsc2Cl)cc1 40009495 DVIHFEWNNZDLRV-CQSZACIVSA-N 323.849 3.927 0 40 DHAB CN(Cc1ccco1)C(=O)N[C@@H]1CCSc2ccccc21 43166630 GCNMMMFZXPALEY-CQSZACIVSA-N 302.399 3.658 0 40 DHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1 44902662 MSSSKBVFBHALDD-HNNXBMFYSA-N 321.779 3.953 0 40 DHAB CC(C)n1ncc2cc(NC(=O)C=C(C3CC3)C3CC3)cnc21 55095929 OJTNRQBFAGCGNO-UHFFFAOYSA-N 310.401 3.697 0 40 DHAB Cc1nccn1-c1ccccc1CNC(=O)Nc1ccccc1F 58004606 SLROXBSDKTULLC-UHFFFAOYSA-N 324.359 3.642 0 40 DHAB CCC(=O)Nc1cccc(-c2oc3ccccc3c(=O)c2C#N)c1 58266578 GZOJOVUUMYGWAU-UHFFFAOYSA-N 318.332 3.680 0 40 DHAB CC(C)CC(=O)Nc1ccc(-n2cnc(Cl)c2Cl)nc1 61721093 UGPAWPPTYZZAEM-UHFFFAOYSA-N 313.188 3.559 0 40 DHAB CCO[C@H](C)c1nc(CC(=O)OC[C@H]2CC=CCC2)cs1 71910042 ORNKNGHWVQPNGO-OLZOCXBDSA-N 309.431 3.683 0 40 DHAB CCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc(N)n1 71977390 UNXRBDAUVKSMFY-UHFFFAOYSA-N 321.380 3.800 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)Nc1cnc2ccccc2c1 72406511 PGMYFJRMVYDFEX-UHFFFAOYSA-N 316.364 3.682 0 40 DHAB O=C(OC1([C@H]2CCOC2)CC1)c1ccc(-c2cscn2)cc1 84421558 QTLZSDPXBLJONS-AWEZNQCLSA-N 315.394 3.536 0 40 DHAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(F)cc2)S1 85412351 OLQBUUDSNBYWNX-CYBMUJFWSA-N 305.378 3.783 0 40 DHAB Cc1[nH]c2nc3ccccc3n2c(=O)c1Cc1cccc(Cl)c1 100134839 NZFZXKINNHNPJP-UHFFFAOYSA-N 323.783 3.728 0 40 DHAB Cc1cc(C)cc(OC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 100892208 MVORXRJQBSRDPV-RTBURBONSA-N 300.398 3.994 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc(C)cc2Cl)cc1 192302385 PBSISWHXAREACA-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CCCC[C@H]1C 216864537 ZWOLKIKNKHACAC-CYBMUJFWSA-N 303.450 3.941 0 40 DHAB O=C(COc1ccc(Cl)cc1)n1cc(CO)c2ccccc21 218741385 WJEVDRXDHFNIIF-UHFFFAOYSA-N 315.756 3.506 0 40 DHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1sccc1C 222858551 OKRTVEZRODNHQU-KGLIPLIRSA-N 317.483 3.834 0 40 DHAB O=C(CCSCc1ccccc1)NCCOc1ccccc1 224277269 XHTVWUCFHFRHBD-UHFFFAOYSA-N 315.438 3.505 0 40 DHAB O=C(NCCCCC(F)(F)F)[C@@H]1C[C@]12CCc1ccccc12 225502261 FMPQBXJYCMWBPG-HOCLYGCPSA-N 311.347 3.739 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1Cl 225646466 FVRHZHNXASTHPS-INIZCTEOSA-N 311.809 3.882 0 40 DHAB CO[C@H](CNC(=O)Cc1ccsc1)c1ccc(Cl)s1 225704323 AYLRZPHIKYGKGU-SNVBAGLBSA-N 315.847 3.509 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(Br)cc1F 575362149 IKDGIPLYEOBGDJ-UHFFFAOYSA-N 317.154 3.504 0 40 DHAB O=C(Cc1cccc2ccccc12)NCc1ccc(C2CC2)nc1 1565523788 WFQLVORPYWOUTI-UHFFFAOYSA-N 316.404 3.971 0 40 DHAB C[C@@H]1CC(C)(C)Nc2ccc(I)cc21 2371471467 YFPKUACFOUIABW-MRVPVSSYSA-N 301.171 3.989 0 40 DHAB Cc1ccc(S(=O)(=O)N(c2ccccc2F)C(F)F)cc1 101775 OSAYCNKYIWNUOA-UHFFFAOYSA-N 315.316 3.552 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1ccc(N(C)C)cc1 265858 ASXRIRRPNMSIAA-UHFFFAOYSA-N 304.777 3.667 0 40 DHAB Cc1cc2ccccc2nc1SCC(=O)N1CCC(C)CC1 416359 YGMAEPICJWJMKQ-UHFFFAOYSA-N 314.454 3.894 0 40 DHAB CCc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 558869 ZPGQNWANWNHINU-UHFFFAOYSA-N 311.410 3.856 0 40 DHAB CC(=O)N[C@@]1(c2ccccc2)CCN(C)[C@H](c2ccccc2)[C@@H]1C 1514733 LTMCHGVWSAGBIT-NDXORKPFSA-N 322.452 3.731 0 40 DHAB CCCC[C@H](CC)C(=O)Nc1ccc(O)c(C(=O)OCC)c1 2069865 HKCLCNVFWSPBIL-LBPRGKRZSA-N 307.390 3.724 0 40 DHAB CCOCCCNc1ncnc2c1[nH]c1ccc(Cl)cc12 2436470 AEKKHOLQVJNOGO-UHFFFAOYSA-N 304.781 3.603 0 40 DHAB CCOC(=O)c1ccc(C(=O)CCc2cccc(OC)c2)cc1 2516502 SYGHBBZOKALCAO-UHFFFAOYSA-N 312.365 3.687 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cccc(Cl)c1 3281007 XHYYJMBSKIFTFM-FNORWQNLSA-N 316.740 3.825 0 40 DHAB O=C(COC(=O)c1ccc2ccccc2c1)Nc1cccc(F)c1 3389079 UPBAIPCNCYZIFI-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB O=C(CN1CCCCCC1)Nc1ccc(C(F)(F)F)cc1 3434308 SQDWPIZHYTZOAD-UHFFFAOYSA-N 300.324 3.520 0 40 DHAB CCCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 3439752 XVVFRJMXNNWISK-CQSZACIVSA-N 303.427 3.679 0 40 DHAB CCCCNCC[C@@]1(c2ccccc2)C(=O)Oc2ccccc21 5973551 AODFLRSUTRNJRQ-FQEVSTJZSA-N 309.409 3.672 0 40 DHAB CC(C)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 6201422 MTWZHPLJDLTUOQ-UHFFFAOYSA-N 311.381 3.762 0 40 DHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 6328628 NYNHZOFZAMITQY-NEPJUHHUSA-N 314.168 3.599 0 40 DHAB O=C(CNc1cccc(F)c1)Nc1cccc(Br)c1 6397285 HHOUJQMYBMHWPE-UHFFFAOYSA-N 323.165 3.639 0 40 DHAB Cc1ccccc1[C@@H](c1ccccc1)C(CC(=O)O)CC(=O)O 6491577 GBYTTYQAWXIDLQ-IBGZPJMESA-N 312.365 3.693 0 40 DHAB Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c(C)c1 7070402 JVELGJJESHYEQM-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB CCOc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1 7383012 JDGSBFWZBFSKPS-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccs1 7533954 JTZNIOJIEYFRQB-LLVKDONJSA-N 313.378 3.966 0 40 DHAB Cc1ccsc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 8016005 KQCZFKSJOGPNJI-UHFFFAOYSA-N 320.845 3.672 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCc2ccccc2C1 8118275 YCJXVUMOBJUAKT-ZDUSSCGKSA-N 314.816 3.725 0 40 DHAB COc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1OC 8221359 ZGUOHLDVYQEOEX-LBPRGKRZSA-N 300.358 3.587 0 40 DHAB c1cc2c(cc1CSc1nnc(C3CC3)n1C1CC1)OCO2 8231096 RGFJLSRIBDVRAL-UHFFFAOYSA-N 315.398 3.511 0 40 DHAB CCOc1ccc(NC(=O)CN(C)Cc2sccc2C)cc1 8309889 JZCHKBAIXAERHD-UHFFFAOYSA-N 318.442 3.526 0 40 DHAB CC[C@H]1CCCCN1CCCOc1c(C=O)cccc1OC 8731542 DOEZLIPWEGLPHN-INIZCTEOSA-N 305.418 3.541 0 40 DHAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 9235089 JCQVBDODWHSSIP-INIZCTEOSA-N 322.408 3.549 0 40 DHAB Cc1cc(C(=O)Nc2nc3ccc4ccccc4c3s2)on1 12422361 JLCDILUMTSWXMP-UHFFFAOYSA-N 309.350 3.998 0 40 DHAB O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1ccccn1 12557516 WTBBMUCCWLDGKY-GOSISDBHSA-N 303.365 3.993 0 40 DHAB O=c1[nH]c(-c2cccnc2)nc2sc(-c3ccccc3)cc12 13638406 WSOJFBCHEQPUNS-UHFFFAOYSA-N 305.362 3.714 0 40 DHAB CCN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 14016145 MRGYQWREQHUAOS-MRXNPFEDSA-N 318.804 3.638 0 40 DHAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(Cl)s1 14176116 OMSSXADOHHPNAV-XFFZJAGNSA-N 307.733 3.885 0 40 DHAB Cc1ccc(N)cc1NC(=O)COc1ccccc1C(C)(C)C 19736139 XCTCVIJQHTXOCL-UHFFFAOYSA-N 312.413 3.892 0 40 DHAB CCc1cccc(C)c1NC(=O)c1ncn(-c2ccc(C)cc2)n1 19910559 SGWIRPYDXUTZCK-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(C)ccc1OC 20452367 BEGNLDBDQFKBBF-CQSZACIVSA-N 313.397 3.972 0 40 DHAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24693530 VVNYVSATMBJDKE-LSDHHAIUSA-N 310.397 3.890 0 40 DHAB O=C(COc1ccc(Oc2ccccn2)cc1)Oc1ccccc1 29236025 UCOZFTHJFLFZCA-UHFFFAOYSA-N 321.332 3.858 0 40 DHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC4)cc3)o2)c1 32817921 WBSVITBTMIYIOZ-UHFFFAOYSA-N 319.364 3.558 0 40 DHAB Nc1ncnc2[nH]cc(-c3cccc(OCc4ccccc4)c3)c12 36294281 ZQRJZBYXLDCLFV-UHFFFAOYSA-N 316.364 3.786 0 40 DHAB O=C1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 36880178 SAPWKLZQDKMXPH-UHFFFAOYSA-N 301.173 3.627 0 40 DHAB in-vitro O=C(NCC1(c2ccc(F)cc2)CC1)Nc1c(F)cccc1F 38489662 SUNJGWLDJCOAGS-UHFFFAOYSA-N 320.314 3.957 0 40 DHAB C#C[C@]1(O)C=C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21CC 39937112 SIGSPDASOTUPFS-SOXBMFEASA-N 310.437 3.659 0 40 DHAB COc1ccccc1CNC(=O)Nc1ccc(C)cc1Cl 40096898 AWVRSCGDKPFKJN-UHFFFAOYSA-N 304.777 3.979 0 40 DHAB C[C@H](Sc1ncccc1Cl)c1nnnn1-c1ccccc1 40127851 AMCSDRQHSFMHLG-JTQLQIEISA-N 317.805 3.564 0 40 DHAB CCCc1noc([C@H](C)Nc2cc(OC)c(OC)cc2C)n1 40496511 IJTGWQFDDYIZIB-NSHDSACASA-N 305.378 3.521 0 40 DHAB CN(C)C(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127128 RNWUPZXAIFSSEH-UHFFFAOYSA-N 314.772 3.779 0 40 DHAB O=C(NCc1ccccc1OC(F)F)N1CCc2ccccc21 43229512 MTCQFMDYIODKLW-UHFFFAOYSA-N 318.323 3.560 0 40 DHAB CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2F)CC1 44713519 YYDXZEMJOXFAPV-UHFFFAOYSA-N 307.365 3.656 0 40 DHAB CC(C)Oc1ccc(NC(=O)Cc2noc3ccccc23)cc1 49229395 GNTADHZIIWXULH-UHFFFAOYSA-N 310.353 3.796 0 40 DHAB Cc1noc(CNc2ccccc2N(C)Cc2ccccc2)n1 58179670 YCEVBFYIPDWJJI-UHFFFAOYSA-N 308.385 3.627 0 40 DHAB Cc1nc(-c2cccc(Oc3ncnc4ccccc34)c2)no1 58356889 HBFXCOZEXRYDNH-UHFFFAOYSA-N 304.309 3.781 0 40 DHAB O=C(/C=C/c1ccc(F)cc1)NCc1ccccc1N1CCCC1 58430025 SANMCPIQSOIWHB-FMIVXFBMSA-N 324.399 3.756 0 40 DHAB CN1CCC(Nc2ccccc2NC(=O)CC(C)(C)C)CC1 69459097 OABJCYUOPNMJKP-UHFFFAOYSA-N 303.450 3.567 0 40 DHAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1 72214721 JRUCYEWMXXAJRB-CQSZACIVSA-N 305.422 3.658 0 40 DHAB CC1(C)CCCN1C(=O)Nc1nnc(C2CCCCC2)s1 72242448 QGYDWYDKLZBTTI-UHFFFAOYSA-N 308.451 3.992 0 40 DHAB CCn1nc(C)cc1C(=O)N1CC[C@@H](C)Sc2ccccc21 72280608 NLGIWEOKQDZAJX-CYBMUJFWSA-N 315.442 3.743 0 40 DHAB CCOc1ccc(NCc2nc(CC(C)C)no2)cc1Cl 79179422 WACKVTJAPJTOIY-UHFFFAOYSA-N 309.797 3.932 0 40 DHAB O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccnc1 89878980 LXHRUGFDZQPBHI-KRWDZBQOSA-N 323.783 3.649 0 40 DHAB Cc1ccoc1C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 95418217 VKEGPLRWUMRVPO-LSDHHAIUSA-N 317.385 3.690 0 40 DHAB COc1ccc(NC(C)=O)cc1N[C@H](C)Cc1ccsc1 95990447 OGAYZDRRNPRVIH-LLVKDONJSA-N 304.415 3.758 0 40 DHAB COc1cc(/C=C2/N=C(C(C)(C)C)OC2=O)ccc1OC(C)C 96935762 AZKBZAUCKOKRGV-UKTHLTGXSA-N 317.385 3.825 0 40 DHAB Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(N)c3)CC2)c1 178452390 ZPVSCVJNKNDJEA-UHFFFAOYSA-N 324.424 3.569 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1 219956717 PEYKMMYTAIMIFC-HNNXBMFYSA-N 313.397 3.591 0 40 DHAB C[C@@H](NC(=O)c1ccc2nc(Cl)n(C)c2c1)c1ccccc1 222543223 WJWJNKOWRZFXLB-LLVKDONJSA-N 313.788 3.718 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)CCc2ccc(F)cc2)c1 224047158 LKICSMJCFGDWON-UHFFFAOYSA-N 315.388 3.570 0 40 DHAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COC 224682002 UPWHHQMERXGKLY-UHFFFAOYSA-N 305.418 3.684 0 40 DHAB CCN(c1ccccc1C)S(=O)(=O)c1ccc(SC)cc1 224971158 KCJDSQDFNZPWOG-UHFFFAOYSA-N 321.467 3.932 0 40 DHAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@@H](N)c1ccccc1 225444001 SDJLWMHAPFDCMV-SJKOYZFVSA-N 318.367 3.574 0 40 DHAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C(C)(C)C)cc1 225592271 IMHVBMVSVPCFIP-HNNXBMFYSA-N 318.461 3.924 0 40 DHAB Cc1cccnc1NC(=S)NC1(c2cccnc2)CCCC1 225872063 ZSPPWVFEAOTXBJ-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1cccc2ccccc12 226324218 VQVAKPDNBUKUKP-UHFFFAOYSA-N 305.381 3.740 0 40 DHAB CCCOc1ccc(C(=O)Nc2ccc(OCC)cc2N)cc1 226349574 WMFVNNUFYYITSS-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(Br)c1 245224997 KAPLUGSDFTUCTG-GMXVVIOVSA-N 308.219 3.615 0 40 DHAB Clc1cccc(N[C@H]2CCNC[C@H]2Cc2ccccc2)c1 257287217 POZZUKQONGCSJD-QAPCUYQASA-N 300.833 3.973 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccco2)o1 575607740 CAEORVPDQSTLJN-CYBMUJFWSA-N 311.337 3.623 0 40 DHAB O=C(O)c1cc2c(C(F)(F)F)cccc2nc1OCC1CC1 685937438 POWRPLRPLKQGLJ-UHFFFAOYSA-N 311.259 3.741 0 40 DHAB CC(C)(C)OC(=O)N1CC(c2cnc(Cl)cc2Cl)C1 2362804743 KQYIKPVNVVXCGH-UHFFFAOYSA-N 303.189 3.723 0 40 DHAB COC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 95223 FIGBNZDSNRGUHB-UHFFFAOYSA-N 304.733 3.771 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1OCC 505324 OKTUNQITWJFDTA-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB COc1ccc2cc3n(c2c1)CCc1cc(OC)c(OC)cc1-3 1624025 SIIKNNYVOYUTIV-UHFFFAOYSA-N 309.365 3.890 0 40 DHAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CCCO1 3179190 HYJLLJGMPLCREO-GFCCVEGCSA-N 308.790 3.581 0 40 DHAB O=C(COC(=O)C1CCCC1)Nc1cccc(Cl)c1Cl 3237695 DJGUAMJFIVLXKM-UHFFFAOYSA-N 316.184 3.665 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCCC[C@H]2C)cc1 3486817 JZTQYJRBTNRCDK-KDOFPFPSSA-N 317.429 3.743 0 40 DHAB O=C(O)c1ccccc1NC(=O)c1c(Cl)cccc1Cl 5583850 ZNLYBPACXSOQGX-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB O=C(COc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 5898747 XEYYIBMNBPARFG-UHFFFAOYSA-N 319.832 3.804 0 40 DHAB O=C1C(=O)N(Cc2ccc(F)cc2)c2c1cccc2C(F)(F)F 6755906 BXYSQWPUVHWDMM-UHFFFAOYSA-N 323.245 3.574 0 40 DHAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OC 6892563 QUANJEOYDSQMCV-UHFFFAOYSA-N 305.761 4.000 0 40 DHAB COc1ccccc1Nc1nnc(SC[C@@H]2CCCO2)s1 6975475 ARQUIENJXYBHHP-JTQLQIEISA-N 323.443 3.561 0 40 DHAB CC[C@@H](NC(=O)COc1ccccc1C)c1ccc(OC)cc1 7037339 MQTBSCJWQQJZJM-QGZVFWFLSA-N 313.397 3.650 0 40 DHAB O=S(=O)(Nc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 7402324 JPUPZXPDWDZGSV-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)c(C(C)(C)C)o1 8334965 TXUYOJQBESLHBY-UHFFFAOYSA-N 315.369 3.765 0 40 DHAB CCc1n[nH]c(=S)n1NCc1ccc(Cl)cc1Cl 8339248 GYIDDJIUIUTGAP-UHFFFAOYSA-N 303.218 3.554 0 40 DHAB CCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)cc2)o1 8339284 WUZUHUPTPZGBER-UHFFFAOYSA-N 318.377 3.646 0 40 DHAB Cc1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1 8869588 ZRIVNMTUPTZGQT-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB CC1=C(C(=S)Nc2ccccc2)[C@H](c2ccccc2)NC(=O)N1 10272194 PGQRHNXZEOIQIP-INIZCTEOSA-N 323.421 3.754 0 40 DHAB O=C(C1CC1)N(Cc1ccco1)c1nc2c(F)cccc2s1 10527734 LSYJQYYMFUJZSV-UHFFFAOYSA-N 316.357 3.972 0 40 DHAB O=C(Nc1ccc(F)cc1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 11009119 BZRJRJNUVVFOPJ-INIZCTEOSA-N 324.359 3.654 0 40 DHAB O=C(C1=Cc2ccccc2OC=C1)N1CCc2ccccc2C1 12274546 IQNZWVNWDFUYIX-UHFFFAOYSA-N 303.361 3.561 0 40 DHAB O=C(CNc1cc(F)cc(F)c1)N1CCSc2ccccc21 12791603 PSIVPINPKDNYBX-UHFFFAOYSA-N 320.364 3.516 0 40 DHAB C[C@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 12815071 SHFQSGPVQDPOCZ-RYUDHWBXSA-N 306.793 3.604 0 40 DHAB CCn1c(NC(=O)Nc2ccccc2OC)nc2ccccc21 13152723 WKOVXILFHOSNRH-UHFFFAOYSA-N 310.357 3.709 0 40 DHAB in-vitro COC(=O)COc1ccc(NC(=O)CCC2CCCCC2)cc1 13955101 XWFIKRHGTQRRML-UHFFFAOYSA-N 319.401 3.537 0 40 DHAB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2F)c(C)c1 16353716 SJGAQAQUOFQQAO-HNNXBMFYSA-N 314.404 3.902 0 40 DHAB CCCc1ccc2[nH]c(=O)c(CNc3nc(C)ccc3O)cc2c1 19525495 ZDPBEICXCIFXCY-UHFFFAOYSA-N 323.396 3.502 0 40 DHAB COc1ccccc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 19570332 OIRNSLPNOXITLK-INIZCTEOSA-N 321.424 3.951 0 40 DHAB O=C(C[C@@H]1NCCc2ccccc21)Nc1ccccc1Cl 20404870 ABJDZBPTRZYDHL-INIZCTEOSA-N 300.789 3.556 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2cccs2)c(Cl)c1 20455460 ICBOLJAUJJRBMK-UHFFFAOYSA-N 309.774 3.831 0 40 DHAB CC1CCN(C(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)CC1 20460176 FIOGAAMSEWNEHT-KRWDZBQOSA-N 314.473 3.791 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1Cl 20484226 HMPCDZWBPFVBDJ-ZDUSSCGKSA-N 317.816 3.986 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccccc2)c1C 22518934 XJVWFBGEDZLCCD-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB CC(=O)Nc1nc(COc2cccc(Cl)c2Cl)cs1 24696841 NIXDGQZRYSQGMA-UHFFFAOYSA-N 317.197 3.987 0 40 DHAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(OC)cc1 25512981 PSHJEFRXESXOHT-KBXCAEBGSA-N 313.397 3.730 0 40 DHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccoc2)cs1 26884861 VCVJBEZEXUFFML-UHFFFAOYSA-N 310.378 3.914 0 40 DHAB CCSc1ccccc1C(=O)NCCOc1ccc(F)cc1 30129832 GAJHIXVUAMENCJ-UHFFFAOYSA-N 319.401 3.747 0 40 DHAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc(Cl)ccc1O 30685168 AUNNLWHTLDLNRD-UHFFFAOYSA-N 310.180 3.971 0 40 DHAB CN(C1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 30849456 GUZLACMLYJYZIZ-UHFFFAOYSA-N 308.230 3.557 0 40 DHAB O=C(O)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 32918503 WKHYZSWEHZDSCE-UHFFFAOYSA-N 310.284 3.773 0 40 DHAB O=C(Sc1nnc(Cc2ccccc2)o1)c1cccs1 33404783 YOUADWUSNALXMP-UHFFFAOYSA-N 302.380 3.654 0 40 DHAB Cc1nc(C)c(C(=O)Nc2nc3c(C)cccc3s2)s1 36649553 WICCNSBNIIQWEV-UHFFFAOYSA-N 303.412 3.930 0 40 DHAB COC(=O)c1cc(-c2ccccc2F)nc2c1cnn2C(C)C 39980662 PBVOAWWNQQJHSQ-UHFFFAOYSA-N 313.332 3.605 0 40 DHAB CC(C)COCCCNC(=O)Cc1ccc(Cl)cc1Cl 39984336 LUNOKSVHRZOWFS-UHFFFAOYSA-N 318.244 3.715 0 40 DHAB CCOc1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 40095534 QBEQWUXWJMOGEM-UHFFFAOYSA-N 310.397 3.939 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2F)c(C)n1-c1nccs1 40516566 MRRQBFXLCQIEJE-UHFFFAOYSA-N 315.373 3.942 0 40 DHAB C[C@@H]1CN(C(=O)Nc2ccccc2-c2cccs2)CCO1 43910656 VQBAZOAOCZASLN-GFCCVEGCSA-N 302.399 3.668 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1C 48325688 JJDTVWSSVQVCEN-JKSUJKDBSA-N 303.450 3.688 0 40 DHAB C[C@H](Cc1ccsc1)NC(=O)N1CCC[C@@H]1c1ccncc1 50156610 WJNGWXBVJIEHIR-CZUORRHYSA-N 315.442 3.621 0 40 DHAB O=c1[nH]c(-c2cccnc2)nc2cc(-c3ccccc3)sc12 53846429 FFGVUYBJVRLMKY-UHFFFAOYSA-N 305.362 3.714 0 40 DHAB C[C@H](c1ccco1)N(C(=O)c1cc2ccccc2oc1=O)C1CC1 56181552 ZWWXVRMOBJFLIW-GFCCVEGCSA-N 323.348 3.752 0 40 DHAB COc1cccc2c1ccn2CC(=O)Nc1ccc2[nH]ccc2c1 62001623 WOTBURQPLVQGJC-UHFFFAOYSA-N 319.364 3.770 0 40 DHAB biogenic CC[C@H](NC(=O)CCCc1ccccn1)c1ccc(OC)cc1 65547674 WONNPFUOMOGFOO-SFHVURJKSA-N 312.413 3.680 0 40 DHAB Clc1ccc(Cc2nc3ccc(-n4cnnc4)cc3o2)cc1 70461411 AWGKKNBGKVYXHG-UHFFFAOYSA-N 310.744 3.653 0 40 DHAB Cc1cc(N2CCCCC2)nc2sc3c(S)ncnc3c12 71281849 LBSBXYDBJARPSX-UHFFFAOYSA-N 316.455 3.827 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1N(C)C 72218617 DJKSKOBUZPTARG-AWEZNQCLSA-N 305.422 3.528 0 40 DHAB Cn1ccnc1-c1cccc(NC(=O)N2Cc3ccccc3C2)c1 77445687 JXJDLKPTISPITI-UHFFFAOYSA-N 318.380 3.635 0 40 DHAB O=C(Cc1cc(F)c(F)cc1F)Nc1ccc2[nH]ccc2c1 79491843 AUYFFSGNEMJWNX-UHFFFAOYSA-N 304.271 3.766 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc([S@](C)=O)cc1 80127814 CTMITDMDXVJUDP-MCMMXHMISA-N 316.426 3.615 0 40 DHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1ccco1 84796813 JOTVWNDYCVQIAW-VXGBXAGGSA-N 318.760 3.634 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccc(F)cc2)C1 89212730 OMPXSJRMAWRCRP-OAHLLOKOSA-N 322.424 3.562 0 40 DHAB Cc1ccc(C2=NN(C(N)=O)[C@@H](c3ccc(Cl)cc3)C2)cc1 95864681 DMEPWLRLONRJHV-MRXNPFEDSA-N 313.788 3.878 0 40 DHAB Cc1cc(N2Cc3ccccc3N(C)C[C@@H]2C)nc(C2CC2)n1 95964612 YEDNZNSYYSPPGF-AWEZNQCLSA-N 308.429 3.507 0 40 DHAB O=C(/C=C/c1ccccc1)N(Cc1cnc2ccccn12)C1CC1 96097121 YPIWNJNMIQUBRP-FMIVXFBMSA-N 317.392 3.539 0 40 DHAB COc1c(Cl)cccc1NC(=O)N(C)[C@H](C)CSC 96413379 OAXBJRLIHMGRTO-SECBINFHSA-N 302.827 3.564 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c(C)c1 96659203 ZMGNMTQLLBBYKF-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1Cl 96659489 XEEPZOARSRCWES-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB C[C@H](NC(=O)N1CCc2sccc2C1)[C@H]1C[C@H]2CC[C@H]1C2 107489853 KYFDDXGFCCDMRN-PWNZVWSESA-N 304.459 3.641 0 40 DHAB Cc1ccc(C)c(-n2ncc(N[C@@H](C)c3nnc(C)o3)c2C)c1 126679216 DTHKUWVCENJRBO-LBPRGKRZSA-N 311.389 3.662 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccccc1C)c1ccc(C)cc1 216302058 LFUFOWUYFQDFKJ-SFHVURJKSA-N 317.454 3.874 0 40 DHAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccsc1 218803638 ILOIHGYOGOQJHJ-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1 225640501 ICHQTANVLCRDJD-CYBMUJFWSA-N 318.417 3.888 0 40 DHAB COc1cc(C)ccc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 257331258 XSAVKLVDVPMJNM-KNIMUDFMSA-N 317.429 3.529 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@H](O)c1ccc(OC)cc1 306145786 QDUSEDSQALMCSO-GFCCVEGCSA-N 324.260 3.588 0 40 DHAB CC(=O)c1cc(C(=O)N[C@@H]2CCc3c(C)cccc32)c(C)nc1C 548600223 CESQHLDZBITMGB-LJQANCHMSA-N 322.408 3.627 0 40 DHAB O=S(=O)(Cc1ccccc1)c1ccc(Cl)cc1Cl 555096677 CVKLYUJOHSTVLZ-UHFFFAOYSA-N 301.194 3.967 0 40 DHAB OC1(CN[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CCC1 563003635 VNIOUAMUPJZZNK-HAQNSBGRSA-N 300.229 3.744 0 40 DHAB CC(=O)c1ccc(C(=O)NCc2cccc3ccccc23)cc1 36042 CEZPXHORSJSCBH-UHFFFAOYSA-N 303.361 3.972 0 40 DHAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 222030 FZGCRWCWZAPWNW-SJORKVTESA-N 324.359 3.572 0 40 DHAB CCSc1nnc2c3c4c(sc3nc(CC)n12)CCCC4 413756 AUALEVOHTNICKK-UHFFFAOYSA-N 318.471 3.892 0 40 DHAB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)O1 430600 IZYYKMAGQHQDCA-GXDHUFHOSA-N 313.740 3.693 0 40 DHAB CC[C@@]1(C(=O)OC)CCc2c(cc(OC)c3ccccc23)C1=O 1646278 GPAKVOABOXYPEQ-LJQANCHMSA-N 312.365 3.547 0 40 DHAB COc1ccc(OC)c(NC(=O)NCc2ccccc2Cl)c1 1755625 ZVMSBPVJPXZGDG-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)c(C)c1 2224668 PUACJPBYGGIDRI-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB Cc1ccc2nc(NC(=O)Cc3ccccc3F)sc2c1 3592179 VPPPSYRLNAZIQI-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB CCOC(=O)[C@H]1CN[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 3845407 VRGSYPCBWQRFQZ-CEXWTWQISA-N 309.409 3.684 0 40 DHAB O=c1on(-c2ccccc2)c(Br)c1-c1ccccc1 3846328 YIACTRJGUPUCCC-UHFFFAOYSA-N 316.154 3.860 0 40 DHAB biogenic CCCCCOC(=O)CSc1nnc(-c2ccc(C)cc2)o1 4866339 NBHTXMYDWGAAHN-UHFFFAOYSA-N 320.414 3.871 0 40 DHAB Cc1csc(SCC(=O)N2c3ccccc3C[C@H]2C)n1 5101622 HSWMDKRCPGKJJI-LLVKDONJSA-N 304.440 3.521 0 40 DHAB C[C@@H]1C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 5882887 NGMGPYNQJAKUED-USJZOSNVSA-N 323.396 3.607 0 40 DHAB O=S(=O)(c1ccccc1)N1CCC[C@H](c2ccccc2)CC1 5887083 IAPWLQBJTHMUJZ-KRWDZBQOSA-N 315.438 3.645 0 40 DHAB C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccccc2C(C)(C)C)C1 6008108 VMQLBGCPIVMCQJ-ULQDDVLXSA-N 319.489 3.702 0 40 DHAB CCc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1 6284711 QFBZDZMEHRMCDW-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB Cc1cc(COC(=O)c2sc(-c3ccccc3)nc2C)no1 6848801 ZKVORYUZGRPXFS-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB O=C1C[C@H](c2ccccc2F)c2c(-c3ccccc3)n[nH]c2N1 6909430 BNQGGQUFILYMRW-CYBMUJFWSA-N 307.328 3.690 0 40 DHAB Cc1ccsc1CNn1c(-c2ccccc2)n[nH]c1=S 7601485 KXBKCSAZZKSWRO-UHFFFAOYSA-N 302.428 3.721 0 40 DHAB O=c1c2ccsc2ncn1CCCOc1ccc(Cl)cc1 8286486 IBMXQKCJWSJZED-UHFFFAOYSA-N 320.801 3.581 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 8427778 QWOVCZWLNWLVGG-WBVHZDCISA-N 322.408 3.543 0 40 DHAB Cc1occc1-c1nnc(SCc2cccc(F)c2)n1C 8709021 GAIHNAFGNORIPO-UHFFFAOYSA-N 303.362 3.815 0 40 DHAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1cc2ccccc2o1 12627707 NOIWYSRDJPIPEW-LLVKDONJSA-N 305.337 3.800 0 40 DHAB CN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC(F)(F)F 12633081 RSEZGNFRPDPDRN-CQSZACIVSA-N 322.286 3.782 0 40 DHAB Cc1c2c(cc3c1[C@H](n1ccc4ccccc41)N(C)CC3)OCO2 15107699 BOVMWYXULVNIRA-FQEVSTJZSA-N 320.392 3.713 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccccc1 15554934 OTYMURFTYPRDLR-DHZHZOJOSA-N 301.773 3.548 0 40 DHAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl 16780029 OEZCACRFSPZUOV-BXKDBHETSA-N 322.257 3.850 0 40 DHAB Cn1c(NC(=O)c2c(F)cccc2Cl)nc2ccccc21 27923849 LAHAAWIUFJFRSD-UHFFFAOYSA-N 303.724 3.618 0 40 DHAB NC(=O)c1c(NC(=O)CCC2CCCCC2)sc2c1CCC2 28225470 XCLPIWQKLIMNJF-UHFFFAOYSA-N 320.458 3.635 0 40 DHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)N[C@@H]1CCCC[C@@H]1C 32863315 JZERMIODQOLRJD-XJKSGUPXSA-N 322.424 3.945 0 40 DHAB CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)s1 39996335 QPWSDRYNLKWUIX-GFCCVEGCSA-N 316.378 3.687 0 40 DHAB Cc1cc(S(=O)(=O)NC2CCCCCC2)ccc1Cl 41095377 IILPIWXRKNDJKV-UHFFFAOYSA-N 301.839 3.650 0 40 DHAB C[C@H](SCc1ccccc1)C(=O)NCCOc1ccccc1 44311811 OIXDACLSVCZQBH-HNNXBMFYSA-N 315.438 3.504 0 40 DHAB CN(CCc1ccc(F)cc1)C(=O)c1cccc(-n2cccc2)c1 55369439 LPMZVABYWIBVQB-UHFFFAOYSA-N 322.383 3.931 0 40 DHAB COCc1ccccc1NCc1nc(-c2cccc(C)c2)no1 55848703 JGOWGNOZWLOUHA-UHFFFAOYSA-N 309.369 3.804 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)CCc1ccccc1O 60459683 NOEGKMNVLNCMOR-UHFFFAOYSA-N 309.818 3.698 0 40 DHAB O=C(Nc1nnc(C(F)F)s1)C1(c2ccccc2)CCC1 67551616 GDCCZAHYXUWKSU-UHFFFAOYSA-N 309.341 3.536 0 40 DHAB Cc1cc(CNC(=O)C2(Sc3ccccc3)CCCC2)on1 69700378 PTQZEXSVBYDAGO-UHFFFAOYSA-N 316.426 3.704 0 40 DHAB COc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1OC 71837147 OYPLUFLQFPQECS-MRXNPFEDSA-N 301.361 3.620 0 40 DHAB CN1CC[C@H](NCc2ccccc2Cl)[C@H](c2ccccc2)C1 72341604 MSHNPNGYEYSRMB-HKUYNNGSSA-N 314.860 3.918 0 40 DHAB CN(C(=O)c1cccc(Nc2cnccn2)c1)c1ccc(F)cc1 75143267 DJTSUPZBONYCNH-UHFFFAOYSA-N 322.343 3.636 0 40 DHAB COCC1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 75740392 PMVGOEHSJYTRAD-UHFFFAOYSA-N 320.820 3.853 0 40 DHAB Cc1ccc(-c2nc(CNc3cncc(Cl)n3)co2)cc1 76091837 OEUNVNSSCVXGOW-UHFFFAOYSA-N 300.749 3.706 0 40 DHAB O=C(NCc1ccc2c(c1)CCC2)[C@@H]1C[C@@H]1c1cccc(F)c1 84372164 SIJMNEZUZFNHBQ-RTBURBONSA-N 309.384 3.734 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)C1=CCCC1 95965982 XEAVALOPLVHZPY-IBGZPJMESA-N 317.392 3.879 0 40 DHAB Cc1nc(C[S@@](=O)Cc2cccc(OC(F)F)c2)cs1 96404414 IFCOBRDAFTVZKA-HXUWFJFHSA-N 317.382 3.502 0 40 DHAB Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccncc3)c2)n1 96471079 MLYJGWSMTZFRQD-UHFFFAOYSA-N 322.368 3.675 0 40 DHAB CC(=O)Nc1cc(NC(=O)Nc2cc(C)cc(C)n2)ccc1C 97142845 SXGXYNMYXXSKLT-UHFFFAOYSA-N 312.373 3.609 0 40 DHAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccsc1 97147339 YMDHKGVRQXSIFZ-LLVKDONJSA-N 320.462 3.568 0 40 DHAB COc1cccc(NC(=O)C(C)(C)C)c1[C@H](O)c1ccccc1 103016210 LDXCRVRQKBWUCT-QGZVFWFLSA-N 313.397 3.762 0 40 DHAB COc1cc(NC(=O)N[C@@H](C)c2cccnc2)ccc1Cl 194434480 OOSFGHIQQPJRTG-JTQLQIEISA-N 305.765 3.626 0 40 DHAB Cc1ncccc1C(=O)N1CCS[C@H](c2cccs2)CC1 219525520 LVYZYBZSPYJPFA-HNNXBMFYSA-N 318.467 3.772 0 40 DHAB CCOc1ccc(C(=O)NCc2ccccc2OCC)cc1C 224795011 YNGXHKSUIZKLDI-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB CCOc1ccc(CNC(=O)c2cccc(F)c2)cc1OCC 224956888 RHHAKIDCDGQGGY-UHFFFAOYSA-N 317.360 3.553 0 40 DHAB O=C(NCc1ccnc(-c2ccsc2)c1)NC1CCCC1 225757423 UZBSFBCXZCTRNJ-UHFFFAOYSA-N 301.415 3.552 0 40 DHAB COC(=O)[C@H]1C[C@H](C(F)(F)F)CC2(C1)SCCCS2 225757916 BTMMPHFRAPWXIM-IUCAKERBSA-N 314.394 3.704 0 40 DHAB Cc1ncsc1CN1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 245713896 GMCYEATUEFVRED-IAQYHMDHSA-N 306.406 3.553 0 40 DHAB Cc1cnc([C@H](C)NCc2cn(C)nc2C2CCCCC2)o1 328771330 GXLDZXFVUQOXOM-ZDUSSCGKSA-N 302.422 3.615 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(F)cc1F 409220735 FBDQSNFXGMONGU-VQHVLOKHSA-N 319.307 3.634 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)o1 585116682 FPBBWRVUJVZQFD-QBIMZIAESA-N 322.412 3.743 0 40 DHAB O[C@@H]1[C@@H](NC2CCCC2)CCC[C@H]1Oc1ccc(Cl)cc1 585290069 ZLXIHWSUPGGBHB-GVDBMIGSSA-N 309.837 3.533 0 40 DHAB Oc1ccnc2c(Br)cc(OC(F)(F)F)cc12 1848350349 YXSFCZAZTREAIE-UHFFFAOYSA-N 308.053 3.602 0 40 DHAB Cc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 61470 MNIAUPNGOCEURD-UHFFFAOYSA-N 316.813 3.898 0 40 DHAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C1CC1 189466 NAXUPFRVULTTMJ-UHFFFAOYSA-N 319.817 3.621 0 40 DHAB CC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 559533 WSPDDGYHFCSCQI-UHFFFAOYSA-N 311.362 3.709 0 40 DHAB CC[C@@H](C)[C@H](N)c1nnc(SC/C=C/c2ccccc2)o1 2384264 VIEBUZXMVFCQDC-UNZKQPITSA-N 303.431 3.921 0 40 DHAB Nc1c(C(=O)c2ccc(OC(F)F)cc2)oc2ccccc12 3332760 NDVUDELRWLPOIL-UHFFFAOYSA-N 303.264 3.847 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)cs2)c1C 3413633 OQTGEYMRSRWWIB-UHFFFAOYSA-N 308.428 3.574 0 40 DHAB C[C@@H]1CCc2nc(NC(=O)/C=C/c3cccs3)sc2C1 4078617 PEDSMZCVWQANOQ-BREXMAIKSA-N 304.440 3.981 0 40 DHAB Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)c(C)c1 4176179 GECBFMPWOWQEHD-UHFFFAOYSA-N 315.442 3.830 0 40 DHAB O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 4439782 BEROWXFCKFZECS-UHFFFAOYSA-N 323.377 3.517 0 40 DHAB Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc(C(=O)O)c(O)c1 5539004 NBJXCXABHBDKTB-UHFFFAOYSA-O 320.368 3.651 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(F)cc1 5869171 RYNPNPAWAWHBFT-LBPRGKRZSA-N 321.779 3.605 0 40 DHAB O=C(Nc1cccc(F)c1)c1cc(Br)ccc1O 6534932 MTLRBWSQUNWPOI-UHFFFAOYSA-N 310.122 3.546 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CCO 6862930 CWHFZCMDAMLBCY-LLVKDONJSA-N 317.216 3.762 0 40 DHAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(C)=O)ccc21 6977509 KQGHNIRRNWKTOS-LBPRGKRZSA-N 324.380 3.705 0 40 DHAB CCc1cc2c3c(c1)c1nnc(S)nc1n3C(C)(C)C=C2C 7449506 JRKCTTVFYNDRQQ-UHFFFAOYSA-N 310.426 3.983 0 40 DHAB Cc1nc2ccc(NS(=O)(=O)c3ccccc3F)cc2s1 7505258 XNXHCSQFZPSVNG-UHFFFAOYSA-N 322.386 3.545 0 40 DHAB CCCc1n[nH]c(=S)n1NCc1ccc(Cl)c(Cl)c1 7601413 MXYMUNQBTVZONW-UHFFFAOYSA-N 317.245 3.944 0 40 DHAB CCc1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3o2)cc1 8394385 REIJYJMCPFXFFT-UHFFFAOYSA-N 321.376 3.628 0 40 DHAB Cc1ccc(-c2nc(C(=O)O)nn2-c2ccc(C)c(C)c2)cc1 8730852 OTOJABPKTIKLLA-UHFFFAOYSA-N 307.353 3.558 0 40 DHAB Fc1ccc(F)c(-c2nn3c(-c4cccs4)nnc3s2)c1 9303850 XKNSWPBZUFCSOS-UHFFFAOYSA-N 320.349 3.860 0 40 DHAB CC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1 9314605 RQUBULZZZBEPMQ-SFHVURJKSA-N 310.397 3.835 0 40 DHAB Cc1ccc(-n2[nH]c3nccc(-c4ccc(F)cc4)c3c2=O)cc1 10157159 QNAVURZCEALLSR-UHFFFAOYSA-N 319.339 3.828 0 40 DHAB CC(=O)N1CCCc2cc(NC(=O)C3CCCCC3)ccc21 10220727 QJRHBULTWLEZTJ-UHFFFAOYSA-N 300.402 3.505 0 40 DHAB CC1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2)CC1 10540250 URRVNHBMQIKZPG-VMPITWQZSA-N 320.864 3.591 0 40 DHAB CCc1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12586379 SQAHATHIADTFMX-NSHDSACASA-N 303.793 3.737 0 40 DHAB CCc1noc(CSc2nnc(-c3ccc(Cl)cc3)o2)n1 12737828 XDHNNDYDLQXLNV-UHFFFAOYSA-N 322.777 3.628 0 40 DHAB Cc1cc(C)cc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 12759301 IMFAOYFPGPCKCJ-UHFFFAOYSA-N 322.408 3.611 0 40 DHAB Cc1ccc(/C=C/C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 13629299 OCGDZMUHYNKOHL-DOJUMQAQSA-N 324.424 3.555 0 40 DHAB CC(C)OCCCN(Cc1ccccn1)Cc1cccs1 13991070 RTBLRXZGJDALMT-UHFFFAOYSA-N 304.459 3.960 0 40 DHAB Cc1ccccc1C(=O)NCc1ccccc1CN1CCCC1 24189750 HGIMWIIXWIKGTH-UHFFFAOYSA-N 308.425 3.521 0 40 DHAB CCc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)o1 25211037 WZEXSIWKCDUAOI-UHFFFAOYSA-N 309.325 3.677 0 40 DHAB Cc1ccc(NCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1F 25601598 DRZBRXPFDBSBAC-LBPRGKRZSA-N 304.340 3.563 0 40 DHAB O=C(NCC1CC1)c1cn(Cc2ccccc2)c2ccccc12 27467081 VEZMWQANPRQKAE-UHFFFAOYSA-N 304.393 3.829 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)Nc1cccc(Cl)c1Cl 27927134 ASUQRHIPXAVYEF-UHFFFAOYSA-N 313.188 3.988 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Oc3ncccn3)c2)s1 32027846 ZFDWEXBZOKNASD-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB CC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)c2cccs2)c1 32841984 ZYIGPTKCKUEUMS-NSHDSACASA-N 302.399 3.540 0 40 DHAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccs3)[nH]n2)cc1 32878997 LZKMUGZHHHKVEP-LBPRGKRZSA-N 311.410 3.938 0 40 DHAB Cc1nnc(CN(C)Cc2ccc(-c3ccc(Cl)cc3)o2)o1 38321588 OUPMIBQOXBOJOF-UHFFFAOYSA-N 317.776 3.923 0 40 DHAB CC[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1OC 40090475 GUDQAZIUAJYLIJ-BXUZGUMPSA-N 316.228 3.846 0 40 DHAB Cc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1C(=O)O 44749852 QPVBNSGOOVFKAD-UHFFFAOYSA-N 307.708 3.738 0 40 DHAB Cc1ccsc1CN(C)C(=O)N[C@H]1CCc2ccccc21 45596721 YEIDMHWOOYXOKP-HNNXBMFYSA-N 300.427 3.885 0 40 DHAB CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(C)cn3)cc(C)nc21 69533847 MTXXCTUKMXQLKA-CYBMUJFWSA-N 323.400 3.666 0 40 DHAB C[C@H](N[C@@H](C)c1nccn1C)c1ccccc1Br 70443970 RREYNVYAISWYOC-QWRGUYRKSA-N 308.223 3.594 0 40 DHAB Cc1ccc2cnn(CCCNC(=O)c3ccc(C)s3)c2c1 72239511 BTAJFFWBYYZKLK-UHFFFAOYSA-N 313.426 3.535 0 40 DHAB CSc1ccc(Cl)c(C(=O)NCC[C@@H](O)C(C)(C)C)c1 72242745 BGXIJEMPPYSAKW-CYBMUJFWSA-N 315.866 3.589 0 40 DHAB CC[C@H](NCc1ccc(OC)c(NC(C)=O)c1)c1ccccc1 79030378 YZWMAGSRULDGGO-KRWDZBQOSA-N 312.413 3.895 0 40 DHAB Cc1cc(-c2noc([C@@H]3CCCN3)n2)cc(C)c1OC(C)C 95095419 AZASPJVJWMGQOI-AWEZNQCLSA-N 301.390 3.565 0 40 DHAB Cc1cnc(CNc2ccccc2NC(=O)c2cccs2)o1 95418381 GPDCOSIYEIYGKB-UHFFFAOYSA-N 313.382 3.909 0 40 DHAB Cc1cnc(CSc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)o1 95442198 IUUWVAKBCPLFRA-GXFFZTMASA-N 306.435 3.926 0 40 DHAB COc1ccc2cc(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)ccc2c1 95634439 OUSOPRRVFXMCMP-DLBZAZTESA-N 310.349 3.698 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)N2CCCC(C)(C)CC2)c1 96433938 WIQMSKZGJXDIGE-UHFFFAOYSA-N 321.396 3.828 0 40 DHAB CCS[C@@H]1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 97009921 FNKUWKAHQFSFBK-HYXCCBOESA-N 307.503 3.993 0 40 DHAB CN(C)c1cccc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 102248387 ZWTBYVBEZVVPBN-APWZRJJASA-N 300.446 3.793 0 40 DHAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCC12CC3CC(CC(C3)C1)C2 102701896 OCFMPECODOLVCP-QXIYBXNSSA-N 313.441 3.544 0 40 DHAB COc1ccc(NC(=O)C2(OC)CCCCC2)c2cccnc12 186225541 MAKYHRARUABJSB-UHFFFAOYSA-N 314.385 3.531 0 40 DHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccccc1 219589478 ABSDRZWOHUVRPJ-IBGZPJMESA-N 311.425 3.901 0 40 DHAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C 222813539 OSJMYMDJACHELM-ZIAGYGMSSA-N 317.483 3.832 0 40 DHAB CC[C@H](C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C 223199838 UDTFZQBMRDBRMO-CQSZACIVSA-N 303.402 3.649 0 40 DHAB O=C(Cc1ccccc1Cl)NCCOc1ccccc1Cl 225441912 IDWQINFCDFXEMQ-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB CCOc1c(C)cc(NC(=O)C(C)(C)Br)cc1C 225595570 UPEGSAMAIKHBIB-UHFFFAOYSA-N 314.223 3.814 0 40 DHAB Cc1cccc(NC(=S)NC2(c3cccnc3)CCCC2)n1 225873054 OJOHNYJCGXLYII-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB FC(F)(F)Oc1ccc2[nH]c(Cl)nc2c1Br 258833903 NEDCEACCOAJGAL-UHFFFAOYSA-N 315.476 3.877 0 40 DHAB CSc1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1 408596724 TVSVVYDGOUNDFS-UHFFFAOYSA-N 316.451 3.844 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(F)cc1C(F)(F)F 575361356 YWVACZLULWTYAP-UHFFFAOYSA-N 306.255 3.761 0 40 DHAB CCc1cnc(N2CC(n3c(C(C)C)nc4ccccc43)C2)nc1 1888883412 IIMKEHYDRSJRFG-UHFFFAOYSA-N 321.428 3.573 0 40 DHAB COc1ccc(OC)c(CNc2ccc3c(c2)nc(C)n3C)c1 85885 MVHMNGJHFDBSPK-UHFFFAOYSA-N 311.385 3.511 0 40 DHAB O=C(COc1cccc(Br)c1)Nc1ccccc1F 301699 MLGYXUMCHYSTHN-UHFFFAOYSA-N 324.149 3.606 0 40 DHAB C[C@@H]1C(=O)O[C@H](c2ccc(Cl)cc2Cl)C(C)(C)C1=O 351341 XQENWXGXIYCFMK-JVXZTZIISA-N 301.169 3.823 0 40 DHAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccco1 364637 XHAOXRCWPDCTCA-UUILKARUSA-N 309.655 3.556 0 40 DHAB COc1cccc(Oc2c(C)oc3cc(OC)ccc3c2=O)c1 490616 KKSQMHDPUUVXMV-UHFFFAOYSA-N 312.321 3.911 0 40 DHAB biogenic COc1ccc2[nH]c3c(N4C[C@H](C)C[C@@H](C)C4)ncnc3c2c1 554918 CJQVWANMGNGFPE-VXGBXAGGSA-N 310.401 3.602 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 569672 AAVGEMUQEQHYPA-UHFFFAOYSA-N 310.397 3.938 0 40 DHAB Cc1cc(C(F)(F)F)n(-c2nc(C(F)(F)F)cs2)n1 1390361 GLWNMQPYJGSGKE-UHFFFAOYSA-N 301.215 3.675 0 40 DHAB O=C1CCN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C1 2553962 DLEUYEPFFNLJCI-GOSISDBHSA-N 309.365 3.729 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2sccc2C)cc1 3530307 VAAMHQKAXXASLB-LBPRGKRZSA-N 317.410 3.803 0 40 DHAB CC(C)c1ccc(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 6007748 SHFCKFJTPRMDBZ-JFIYKMOQSA-N 305.462 3.528 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2c[nH]c3ccccc23)cc1 6115061 SZOJCWCCUFMRRW-ZDUSSCGKSA-N 322.364 3.660 0 40 DHAB C[C@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 7878380 ODFSFKFTSTZOOC-UONOGXRCSA-N 314.454 3.545 0 40 DHAB CC(C)[C@@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 8133578 VYGHQZCMOHUPMB-MRXNPFEDSA-N 313.426 3.680 0 40 DHAB CN1C(=O)Cc2cc(-c3csc(NC(C)(C)C)n3)ccc21 8297116 MMEAEHIWXAQVIW-UHFFFAOYSA-N 301.415 3.539 0 40 DHAB Cc1nc2nc(C3CCCCC3)nn2c(O)c1Cc1ccccc1 8743005 APKXQKQMZFKYRU-UHFFFAOYSA-N 322.412 3.777 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3cccc(Cl)c3)cc2c1 12493282 FNYZJMLLYMPSKS-UHFFFAOYSA-N 314.772 3.802 0 40 DHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1C(C)C 12552361 BQFRHUVDKFPOEA-UHFFFAOYSA-N 320.396 3.951 0 40 DHAB CCc1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 12926545 LTOZINYKTSRSNH-UHFFFAOYSA-N 322.408 3.557 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)c(C)c1 15669580 HYNRDUKHXLCJLI-UHFFFAOYSA-N 311.341 3.518 0 40 DHAB Cc1ccc(C)c(-n2ncc3c(N4CCC[C@@H](C)C4)ncnc32)c1 15880892 LIWJPMXVOSLQCB-CQSZACIVSA-N 321.428 3.669 0 40 DHAB Cc1csc(SCc2ccc(C(=O)NC3CC3)cc2)n1 17120925 PXWQZQKXWBYUIN-UHFFFAOYSA-N 304.440 3.636 0 40 DHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC(C)C 17301334 DFHAFFCNFLNZCW-UHFFFAOYSA-N 324.833 3.822 0 40 DHAB COc1ccccc1[C@@H]1CCCN1Cc1c(C)nc2ccccn12 19654482 XIVDCLZNBKRODR-KRWDZBQOSA-N 321.424 3.988 0 40 DHAB COc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2C)cc1 20046919 AYZYVTJCGITINH-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB COc1cccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c1 21869316 HFULYWWNBLTPTD-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB O=C(Nc1ccccc1O)c1ccc(OCc2cccnc2)cc1 24661922 FGRJGJMNUVBEQM-UHFFFAOYSA-N 320.348 3.619 0 40 DHAB O=C(Nc1ccc(-n2cccn2)cc1)Nc1ccc(F)cc1F 27917697 CZUPPMGOINESMO-UHFFFAOYSA-N 314.295 3.795 0 40 DHAB CCOc1ccccc1N(CC)S(=O)(=O)c1ccc(C)cc1 28580389 UTKDRNGQVGSMIR-UHFFFAOYSA-N 319.426 3.609 0 40 DHAB CCCCOc1ccc(CCNC(=O)C[C@@H]2C=CCC2)cc1 40122370 CPOYSYARBDRHRD-QGZVFWFLSA-N 301.430 3.881 0 40 DHAB O=C(NCc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 44900352 YWCJQOBBBQEHFQ-UHFFFAOYSA-N 312.388 3.746 0 40 DHAB CC(C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 47371750 IISSNMNJXSOCIC-UHFFFAOYSA-N 306.369 3.733 0 40 DHAB FC(F)(F)[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 48310015 QIVCHQICYGERAD-AWEZNQCLSA-N 309.335 3.647 0 40 DHAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccccc2-c2ccccc2)cn1 48311980 UWKGJKCSVBCUAZ-ZWKOTPCHSA-N 317.392 3.829 0 40 DHAB O[C@@H](CNc1ncnc2c1oc1ccccc12)c1ccccc1 48326893 FDQNBAZRAAWJCR-AWEZNQCLSA-N 305.337 3.522 0 40 DHAB CN(Cc1ccsc1)C(=O)c1sccc1-n1cccc1 48374866 PIVNRFQTVSQUNP-UHFFFAOYSA-N 302.424 3.873 0 40 DHAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(F)cc2)o1 49545159 LTQXKBOGRRQRLN-LBPRGKRZSA-N 311.316 3.943 0 40 DHAB Cc1ccc(C)c(-c2cc(-c3nc(-c4ccccn4)no3)[nH]n2)c1 57510978 JDUXCXOQIQBMFO-UHFFFAOYSA-N 317.352 3.806 0 40 DHAB CCN(CCC(F)(F)F)C(=O)c1cccc(Br)c1 65625970 TYFOVHJPSPTBBE-UHFFFAOYSA-N 324.140 3.864 0 40 DHAB COc1ccccc1/C(C)=C/C(=O)N(C)[C@@H](C)c1cccnc1 66353226 HVUURXHYCOOGLZ-ZQHYZAEZSA-N 310.397 3.713 0 40 DHAB Cc1noc(C)c1CNc1cc(F)ccc1OC[C@@H]1CCCO1 69653764 JNOIKWGQKPDHGR-AWEZNQCLSA-N 320.364 3.600 0 40 DHAB Cc1cnc(CSc2nnc(-c3ccccc3Cl)o2)cn1 69698284 GQIZIVKNMDKIHA-UHFFFAOYSA-N 318.789 3.781 0 40 DHAB CCC[C@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 69703818 IUXLYECLRJBZAW-LSDHHAIUSA-N 308.491 3.513 0 40 DHAB CC(C)Oc1ccccc1NC(=O)NC(C)(C)c1nccs1 72286662 HAKIUNZQFPJLJV-UHFFFAOYSA-N 319.430 3.987 0 40 DHAB COc1cccc(CSc2nccn2Cc2ccccn2)c1 79037948 QRFGGOGNMREJLU-UHFFFAOYSA-N 311.410 3.627 0 40 DHAB CC(C)c1cnc(CS(=O)(=O)c2ccc3ccccc3c2)o1 79062974 FCFKLEBZBGAENN-UHFFFAOYSA-N 315.394 3.925 0 40 DHAB COc1ccccc1OCC(=O)NCc1cccc2ccccc12 79142961 NSWZWCSUTXASRT-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB Cn1nc(C(=O)Nc2ccc(F)cc2Cl)c2ccccc21 90610281 HAMXMDGYRHSJRG-UHFFFAOYSA-N 303.724 3.618 0 40 DHAB CCOC(=O)C1CCN(Cc2cc(C(C)C)c(O)cc2C)CC1 95446129 WXWDBHQRDYHXKA-UHFFFAOYSA-N 319.445 3.599 0 40 DHAB CCCNc1nnc(SCCN(CCC)CCC)s1 96010392 BRTXDNQWJJGNNH-UHFFFAOYSA-N 302.513 3.574 0 40 DHAB O=[S@](Cc1ccccc1Cl)Cc1cccc2c1OCCO2 96404269 IWFOGVQYMGPQIE-NRFANRHFSA-N 322.813 3.560 0 40 DHAB Cc1nnc(SCC(=O)c2cc(C)c(F)cc2Cl)s1 96471885 QXACCDMLHGPFJP-UHFFFAOYSA-N 316.810 3.922 0 40 DHAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1F 192671324 CGNXTPGLEINERQ-UHFFFAOYSA-N 323.389 3.560 0 40 DHAB CCOC(=O)c1cccc(NC(=S)NC2CCCCCC2)c1 225353688 AKCIRQQSSIGHNZ-UHFFFAOYSA-N 320.458 3.873 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)c(C)n1 225884185 WRQDAFLNZVYZCY-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB NC(=O)CCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 226345236 ZPXOAZWAYSQELW-UHFFFAOYSA-N 324.207 3.990 0 40 DHAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)CC(C)C 226352268 DRRCIWRQRFIYQW-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB CCOc1cccc(C(=O)Nc2c(Cl)cc(N)cc2OC)c1 227147118 PCYKWOQQPQWJPP-UHFFFAOYSA-N 320.776 3.582 0 40 DHAB CC(C)c1ncncc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 332518851 YGNZNLGXZILEAJ-CQSZACIVSA-N 323.440 3.970 0 40 DHAB CCOc1ccccc1-c1noc(C2(c3cccnc3)CC2)n1 516930537 RZFOVVOYVMRVNS-UHFFFAOYSA-N 307.353 3.610 0 40 DHAB Clc1ccc(-c2noc(CN[C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc1 517221447 NUZHPPVIZPLNDT-KWCYVHTRSA-N 303.793 3.668 0 40 DHAB CC(=O)c1cc(C(=O)N[C@H]2CCc3c(C)cccc32)c(C)nc1C 548600222 CESQHLDZBITMGB-IBGZPJMESA-N 322.408 3.627 0 40 DHAB C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2c2ncccn2)CC(C)(C)C1 585131404 VFOOAGXMRRWNOF-ILXRZTDVSA-N 301.434 3.603 0 40 DHAB O=C(CSc1nnc2n1CCCCC2)c1ccc(Cl)cc1 93165 ICFGLROYIHXSKJ-UHFFFAOYSA-N 321.833 3.633 0 40 DHAB Cc1ccc2c(c1)N[C@H](c1ccc(C(=O)O)cc1)c1cccn1-2 138129 LYIUGKBSPWTUGL-GOSISDBHSA-N 304.349 3.999 0 40 DHAB in-vitro Clc1ccccc1[C@H]1C[C@H](c2cccs2)Nc2nnnn21 222719 QRBVEGDPUGNFJT-VXGBXAGGSA-N 317.805 3.534 0 40 DHAB CCCc1cc(C(=O)Nc2cccc(Cl)c2Cl)n(C)n1 385448 BKMWWYLDWOYVSN-UHFFFAOYSA-N 312.200 3.932 0 40 DHAB CCSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 2624072 IVYJRMJMPGRPQZ-UHFFFAOYSA-N 314.385 3.696 0 40 DHAB CC[C@H](C)c1ccc(NC(=S)NCc2cc(C)n(C)n2)cc1 2853360 DKCOLURUSLRNAV-LBPRGKRZSA-N 316.474 3.729 0 40 DHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O)cc1C 3346475 RWSJENDVBDXIOU-UHFFFAOYSA-N 306.365 3.913 0 40 DHAB O[C@](c1cccnc1)(c1cccs1)C(Cl)(Cl)Cl 3844304 FEWHNKCCYPQMRH-SNVBAGLBSA-N 308.617 3.749 0 40 DHAB biogenic CC(C)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 4295048 MUXPVSQJLMEBFK-SFHVURJKSA-N 320.392 3.704 0 40 DHAB C[C@@H]1[C@@H](OC(=O)c2ccccc2)CCN(Cc2ccco2)[C@H]1C 4625175 IEDBZMWATZKGIT-MPGHIAIKSA-N 313.397 3.736 0 40 DHAB COc1cccc2cc(-c3nc4ccc(C)cc4[nH]3)c(=O)oc12 5387309 UQSNNQVGXXQVFW-UHFFFAOYSA-N 306.321 3.653 0 40 DHAB Nc1cc(N)nc(SC(c2ccccc2)c2ccccc2)n1 6276816 SPMBWPQWZDAQPL-UHFFFAOYSA-N 308.410 3.523 0 40 DHAB CN(C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2)C1CCCCC1 6617316 NYKSCGZFZQRKJK-ZCDKGFTFSA-N 323.521 3.843 0 40 DHAB O=C(OCc1csc(-c2ccsc2)n1)c1ccccn1 7548494 YTMUNDDQHCUZMS-UHFFFAOYSA-N 302.380 3.624 0 40 DHAB CCCCC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 9305518 HRQJQGAZPIYSFU-UHFFFAOYSA-N 309.369 3.696 0 40 DHAB CCc1ccc(CCC(=O)Nc2ccc(OC)c(OC)c2)cc1 10330746 ILXOCSRNZRHZHA-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccoc2)n1 10579456 MRCGZZCHGAZCKT-UHFFFAOYSA-N 314.366 3.972 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1Cl 10641887 HSXOOZYWWBWRIB-ZDUSSCGKSA-N 314.772 3.713 0 40 DHAB C[C@H](C1CC1)N(c1ccccc1)S(=O)(=O)c1ccccc1 11692349 VSSYSRIHPJFOKI-CQSZACIVSA-N 301.411 3.680 0 40 DHAB Cc1cccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)O)c1 12759173 XUWJIYFLAJTXKI-GFCCVEGCSA-N 315.394 3.813 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)C2=C(Cl)CCCC2)c1 12817889 HGRWJCPGNOCGFJ-UHFFFAOYSA-N 307.777 3.787 0 40 DHAB COc1ccc(-c2csc(NC(=O)c3occc3C)n2)cc1 12896548 MMCQQOSELXPMBE-UHFFFAOYSA-N 314.366 3.972 0 40 DHAB CCC[C@@H](C)NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 13010956 ODOZBWQGTKNTPA-CFRMROPGSA-N 305.418 3.800 0 40 DHAB Cc1ccccc1[C@@](C)(O)c1cnc(C)n1Cc1ccccc1 13281774 ZHPCBONTGXXFMC-HXUWFJFHSA-N 306.409 3.804 0 40 DHAB O=C(NCc1ccccn1)c1ccc(Oc2ccccc2)cc1 13284470 HVLSCZSVTCNAQX-UHFFFAOYSA-N 304.349 3.804 0 40 DHAB in-vivo COc1ccc(OC)c([C@H](C)NC(=S)Nc2ccccc2)c1 13754963 KGOPOOCPIQCIAI-LBPRGKRZSA-N 316.426 3.751 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CCC2 15636487 BFDDOASAHRWITO-VIFPVBQESA-N 322.817 3.691 0 40 DHAB Cc1cccc(OCCCNC(=O)c2cccc(Cl)c2)c1 16277382 LDOPLOVRHXQLSW-UHFFFAOYSA-N 303.789 3.847 0 40 DHAB C[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1cccs1 17842332 XQKSUZCCCAIZQO-SECBINFHSA-N 313.781 3.797 0 40 DHAB Cc1nc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc2n1C 19656376 NFWKOTJVDVPHLH-KRWDZBQOSA-N 319.408 3.511 0 40 DHAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2[nH]1 21612000 GCTYIERVOXLZBG-STQMWFEESA-N 317.458 3.835 0 40 DHAB CCCNc1nc(Nc2ccc(C)c(C)c2)c2cnn(C)c2n1 21873380 JVDOPGGXFODWOJ-UHFFFAOYSA-N 310.405 3.546 0 40 DHAB O=C(CSCc1ccc(F)cc1)N1CCc2ccccc2C1 22510717 OIUBAFPXQXRKJD-UHFFFAOYSA-N 315.413 3.644 0 40 DHAB Cc1cc(C)c(NC(=O)c2cn(Cc3ccccc3)nn2)c(C)c1 25142949 NLRLTSYEZYITIV-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB C[C@H](c1ccccc1)N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O 26474585 GCTAARMPVICEKH-HIFRSBDPSA-N 305.381 3.640 0 40 DHAB CCc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1 31976436 PPBOYDCXOTXGOZ-UHFFFAOYSA-N 300.383 3.940 0 40 DHAB C[C@@H](NCc1nc(C2CC2)no1)C12CC3CC(CC(C3)C1)C2 32769991 FPXXLJCJOFPBPM-HDPALTEOSA-N 301.434 3.642 0 40 DHAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3sccc3C2)o1 32883754 DDMJDDLSYJAUHP-IUODEOHRSA-N 315.438 3.982 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCCCCC1)C2 35075038 XSERORFSPSIMSS-PNYFIKQUSA-N 323.521 3.845 0 40 DHAB O=C(CCc1ccccc1Cl)NCCOc1ccc(F)cc1 40072021 AJSNZDAFLYKDAI-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB O=C(NCc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1 40119998 IFROFVOWGMTGHG-UHFFFAOYSA-N 311.316 3.802 0 40 DHAB COC(=O)c1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1 41306845 WODAFSDRHWAYGF-UHFFFAOYSA-N 309.321 3.780 0 40 DHAB O=C(NCc1ccccn1)Nc1ccccc1SC(F)F 43552832 HFQBDRULBNPPDZ-UHFFFAOYSA-N 309.341 3.718 0 40 DHAB COc1ccccc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 45673744 JFMNEAZCMSKVIQ-KRWDZBQOSA-N 323.396 3.699 0 40 DHAB Cc1ncsc1C(=O)N(C)Cc1ccccc1C(F)(F)F 46574295 MWGXIEFHUWUDRY-UHFFFAOYSA-N 314.332 3.743 0 40 DHAB Cc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cn1 47412467 PXWAISLCQCPWBD-UHFFFAOYSA-N 324.380 3.613 0 40 DHAB COc1ccccc1Nc1cc(N)nc(-c2ccccc2F)n1 49467880 VVRKMIINVOVIJW-UHFFFAOYSA-N 310.332 3.617 0 40 DHAB O=C(O)c1ccc(Nc2ccnc3c(F)ccc(F)c23)cc1 64874882 VGZGTPGVERUFNI-UHFFFAOYSA-N 300.264 3.955 0 40 DHAB CC[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(N)=O 65502399 QKFWILXCGNBVGF-HNNXBMFYSA-N 323.421 3.653 0 40 DHAB O=C(NC[C@@H]1CCCc2ccccc21)c1ccnc(NC2CC2)c1 65551242 ZIIPIQVDTCJZGK-INIZCTEOSA-N 321.424 3.506 0 40 DHAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccn1 65589666 KQWRVMGYWHILGV-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1F)c1c(C)noc1C 65608460 SCOWBQMCSHTENA-RNCFNFMXSA-N 322.355 3.941 0 40 DHAB CCSc1cncc(N2CC[C@@H](c3ccc(OC)cc3)C2)n1 68696476 XPKBEXLCHCBVMX-CQSZACIVSA-N 315.442 3.591 0 40 DHAB CN(Cc1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1 69200868 ITLGXVYWMUDKBR-UHFFFAOYSA-N 320.396 3.595 0 40 DHAB COc1ccccc1[C@H]1C[C@H]1C(=O)N(CC(F)(F)F)C(C)C 69738776 VJUXGXVJOXTEGT-CHWSQXEVSA-N 315.335 3.598 0 40 DHAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)Nc1c(C)nn(C(C)C)c1C 78937555 IIYFGUWBSMFVLW-UONOGXRCSA-N 324.494 3.829 0 40 DHAB Cc1ccc2c(I)c(C)cc(F)c2n1 85399716 RFOXWAVJKRRWBI-UHFFFAOYSA-N 301.102 3.595 0 40 DHAB COc1ccc(F)cc1C[S@@](=O)[C@H](C)c1ccccc1F 89909742 CFRNDRUEALSSGN-FIKIJFGZSA-N 310.365 3.983 0 40 DHAB C[C@H](NCCc1ccccc1F)c1ccccc1-n1cccn1 89909870 SVBCNGZEUQIXAE-HNNXBMFYSA-N 309.388 3.905 0 40 DHAB O=C(Nc1cccc(O)c1F)c1csc(Br)c1 95446724 NEXAHYYHKWBYRU-UHFFFAOYSA-N 316.151 3.608 0 40 DHAB C1CCc2c(sc3nc(C4CC4)nc(N4CCCO4)c23)C1 96011362 BQQMQQHTPWQAAS-UHFFFAOYSA-N 301.415 3.589 0 40 DHAB O=C(NCc1ccsc1)c1cc(Br)cs1 96120191 VNTGUFOTLPHDIE-UHFFFAOYSA-N 302.218 3.502 0 40 DHAB CO[C@@](C)(CNC(=O)c1ccccc1Cl)c1ccccc1F 96123458 CWBLMPOVKLRFOT-KRWDZBQOSA-N 321.779 3.771 0 40 DHAB CO[C@](C)(CNC(=O)/C=C/c1ccsc1)c1ccccc1F 96123523 CTRPMKYTJUNTRU-IWAYRVGRSA-N 319.401 3.578 0 40 DHAB CC(C)c1nnc(NCc2csc(-c3ccccn3)n2)s1 97045328 AMXQLFXZWORRNS-UHFFFAOYSA-N 317.443 3.792 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CNC1CCCC1)C2 104488889 ZBNAUCQADSOPHS-RMRDIRSESA-N 309.494 3.501 0 40 DHAB O=C1C[C@]2(C[C@@H]3C=C[C@@H]2C3)C(=O)N1c1ccc(Cl)c(Cl)c1 136204235 OMEDDFSSTSLOIY-LYGAQUJYSA-N 322.191 3.839 0 40 DHAB Cc1cc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)on1 187923465 AECDMDFEMQWJFN-UHFFFAOYSA-N 322.364 3.839 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1CCCC[C@@H]1C 217797330 QSFBZJHQZMACKW-HNNXBMFYSA-N 305.418 3.541 0 40 DHAB COC(=O)c1cn(C(=O)/C=C/c2ccc(F)cc2)c2ccccc12 222568705 FJSOAYFRJRLPLP-DHZHZOJOSA-N 323.323 3.921 0 40 DHAB O=C(COc1cccc2c1CCCC2)N1CCc2ccccc2C1 224598280 ZYVVQHXHOSNIDL-UHFFFAOYSA-N 321.420 3.529 0 40 DHAB O=C(NCCOCc1ccccc1)C1(c2ccccc2)CCCC1 225145661 QFGWMVOTUKVBEW-UHFFFAOYSA-N 323.436 3.831 0 40 DHAB Cc1c(Cl)cccc1Nc1ccc(N)cc1C(=O)NC1CC1 225472781 KFRDPIVDFJUPIO-UHFFFAOYSA-N 315.804 3.866 0 40 DHAB COC(=O)[C@@H](Sc1ncnc2ccsc12)c1ccsc1 225570664 DVVJRYNBYAAARX-JTQLQIEISA-N 322.436 3.759 0 40 DHAB COC1(CNC(=O)c2cc3ccccc3s2)CCSCC1 225593526 WFCJKCJGCBMCOQ-UHFFFAOYSA-N 321.467 3.543 0 40 DHAB CCCNC(=O)NCCSCc1c(Cl)cccc1Cl 225772207 ILFZEVVYJXIVQE-UHFFFAOYSA-N 321.273 3.936 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cn1 225893796 WZYJYAJQUPWNGZ-KRWDZBQOSA-N 308.422 3.650 0 40 DHAB CC1CCN(c2ccc(N)cc2NC(=O)c2ccccc2)CC1 226254231 VZQNAJHDOMUPQM-UHFFFAOYSA-N 309.413 3.757 0 40 DHAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251206287 IHLZCRDMLLYZEF-VIRABCJISA-N 307.821 3.802 0 40 DHAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)/C=C/c1ccccc1 306145371 CRZLQIVTKXZUSS-NHAQELONSA-N 320.272 3.920 0 40 DHAB CC(C)n1ccc(CN[C@@H]2CSCCc3ccccc32)n1 561953298 PRELMYQMXCDFDA-QGZVFWFLSA-N 301.459 3.584 0 40 DHAB COCCCCOc1ccccc1-c1nncn1-c1ccccc1 585122845 BNSXSYCTYVDCAQ-UHFFFAOYSA-N 323.396 3.740 0 40 DHAB CCOC(=O)C[C@@H](n1ccc(-c2ccccc2)n1)C(F)(F)F 685936565 GYVZVBBDHIJUPB-CYBMUJFWSA-N 312.291 3.607 0 40 DHAB CCOc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 44468 ZXPUYXUKKDNJGZ-LBPRGKRZSA-N 300.354 3.974 0 40 DHAB CCOC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C 188300 CRYOIWMVGRVNFN-UHFFFAOYSA-N 324.789 3.534 0 40 DHAB Cc1ccn2c(NC[C@H]3CCCO3)c(-c3ccc(O)cc3)nc2c1 417357 PCXNXHUYQZIPQR-MRXNPFEDSA-N 323.396 3.606 0 40 DHAB Ic1ccc2nc(-c3ccccc3)cn2c1 484598 QJBHTNVCHGXHAB-UHFFFAOYSA-N 320.133 3.606 0 40 DHAB biogenic O=C(c1ccccc1)n1c(=S)nc2sc3ccccc3n21 521032 OPTZROOTTAGUFO-UHFFFAOYSA-N 311.391 3.768 0 40 DHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3ccccc3c2)C1 1456707 VQDCMAQZEHDHCB-ZIAGYGMSSA-N 303.427 3.506 0 40 DHAB O=C(O)c1c(Cl)c(Cl)c(Cl)c(C(=O)O)c1Cl 1670165 UVGODUOYFYEIGZ-UHFFFAOYSA-N 303.912 3.697 0 40 DHAB CCc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 2256593 RFLQIWHUKUGOHD-HNNXBMFYSA-N 312.394 3.887 0 40 DHAB O=C(c1cccc(CN2CCC2)c1)c1ccc(F)c(Cl)c1 2515129 SWMRRKKHLXUYFC-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(C)cs1 2624729 HCPBDIGLEDTIBE-JTQLQIEISA-N 308.428 3.579 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cncc(Br)c1 2660862 FULJBGSOLGHKMI-UHFFFAOYSA-N 317.186 3.585 0 40 DHAB COc1cccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1 3098640 MLFUMPAOXPZVDF-DHDCSXOGSA-N 313.740 3.693 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 3598403 YMPYRSFZQSQZLB-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB Cc1cc(OCCCn2nnc3ccccc32)ccc1Cl 4487657 HKNUFVCYHZPDCX-UHFFFAOYSA-N 301.777 3.862 0 40 DHAB Cc1ccc2nc(NC(=O)C(Cl)(Cl)Cl)sc2c1 5003394 GIGKYNYGSIREKT-UHFFFAOYSA-N 309.605 3.913 0 40 DHAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1 5417304 AHYISXNZSIMSGW-SNVBAGLBSA-N 324.837 3.632 0 40 DHAB Nc1cc(S(=O)(=O)c2ccccc2)ccc1Nc1ccccc1 5520538 RKFDRXAGFXUWEE-UHFFFAOYSA-N 324.405 3.845 0 40 DHAB Cc1ccc2nc(SCC(=O)c3ccccc3F)[nH]c2c1 6537012 IFMPACGQDNKHTL-UHFFFAOYSA-N 300.358 3.985 0 40 DHAB CCc1nnc(-c2cc3ccccc3n2Cc2cccnc2)o1 7452051 NPBBVJKIKMJNBE-UHFFFAOYSA-N 304.353 3.697 0 40 DHAB CC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1 7548812 BQJGAGGLGXXGRZ-SFHVURJKSA-N 310.397 3.949 0 40 DHAB COc1ccccc1NC1=NN=C(c2cccs2)CS1 7987213 MQAMRBUEANBSPQ-UHFFFAOYSA-N 303.412 3.676 0 40 DHAB CCCC(=O)Nc1ccc(-c2csc(NC(C)=O)n2)cc1 9417274 LDGJLALXBHHCPO-UHFFFAOYSA-N 303.387 3.507 0 40 DHAB COc1cc2c(cc1CN1CCc3sccc3[C@H]1C)OCO2 12241070 RRHJUWYMVSPWTP-LLVKDONJSA-N 317.410 3.605 0 40 DHAB Cc1nnc2n1N1C(=CS[C@H]1c1ccc(Cl)cc1)S2 12321161 WUWDSIJPQHLKCL-NSHDSACASA-N 308.819 3.528 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)c3c(F)cccc3F)c2c1 13961405 SSOGGLHYSITOGZ-UHFFFAOYSA-N 314.335 3.727 0 40 DHAB Fc1cccc(-c2nnc3sc(/C=C/c4ccco4)nn23)c1 15109822 JDPANUYFRVFPJT-VOTSOKGWSA-N 312.329 3.755 0 40 DHAB O=C1c2ccccc2C(=O)N1CSc1ccc(F)c(Cl)c1 16120311 WCPACHZVRMBOOQ-UHFFFAOYSA-N 321.760 3.825 0 40 DHAB CCCCN(C)c1ncnc2c1cnn2-c1ccc(C)c(C)c1 17270204 LPGMFHNARDOYIP-UHFFFAOYSA-N 309.417 3.669 0 40 DHAB Cn1ccc([C@@H]2CCCCCN2Cc2cccc(F)c2F)n1 19291087 VPZGHQDUYTVNQV-INIZCTEOSA-N 305.372 3.816 0 40 DHAB Cc1ccc(-c2csc(S[C@@H]3CCCCNC3=O)n2)cc1 22241409 OCULZESTANZCDZ-CQSZACIVSA-N 318.467 3.879 0 40 DHAB CC(=O)Nc1ccc(CC(=O)O[C@H](C)c2ccc(F)cc2)cc1 25624382 BWVQACSGADUHGT-GFCCVEGCSA-N 315.344 3.631 0 40 DHAB CC(C)(C)c1nc(CSc2ncnc3ccsc23)no1 28015556 YUQZWZKBIAAEFD-UHFFFAOYSA-N 306.416 3.664 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 29515636 ZUSCTVPFPGBSSI-VXGBXAGGSA-N 300.377 3.800 0 40 DHAB C[C@H]1CC(=O)c2c(OCc3nnsc3Cl)ccc(F)c21 32814297 PSKIHVCMOGDWLH-LURJTMIESA-N 312.753 3.600 0 40 DHAB CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccccc2)N(C)C)C1(C)C 32850698 SWGZPHVUDRDBMM-KURKYZTESA-N 314.473 3.644 0 40 DHAB CC(C)(C)c1ccc(NC(=O)N2CC(=O)Nc3ccccc32)cc1 38671344 KRYUEFCGEQGSQP-UHFFFAOYSA-N 323.396 3.975 0 40 DHAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 55910995 ZFZSLEZEGWFBLR-QZTJIDSGSA-N 319.420 3.593 0 40 DHAB CCN(C(=O)NCCc1c(F)cccc1F)C1CCCCC1 58163217 YERAYMBDNDPPDK-UHFFFAOYSA-N 310.388 3.872 0 40 DHAB Cc1noc([C@@H](C)[S@](=O)Cc2ccc(Cl)c(Cl)c2)n1 71888565 FQYNUSULVSALGC-XJZHNMMOSA-N 319.213 3.695 0 40 DHAB CCN(C(=O)c1cc([C@H]2CCCN2C)ccn1)C1CCCCC1 72369302 ZJPQKAYSDCIBAN-GOSISDBHSA-N 315.461 3.643 0 40 DHAB CC[C@@H]1CCCCCN1C(=O)c1ccnc(OC2CCC2)c1 90053199 RMOVTVAYUHOCHU-OAHLLOKOSA-N 302.418 3.808 0 40 DHAB CSc1nccc(-c2ncc(C(F)(F)F)cc2Cl)n1 91695711 PANYDFCTCGFPLD-UHFFFAOYSA-N 305.712 3.933 0 40 DHAB CN(C(=O)Nc1ccccn1)[C@@H](c1ccccc1)c1ccccn1 95352089 FLQNHGQSWWWCDV-SFHVURJKSA-N 318.380 3.730 0 40 DHAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc2[nH]ccc12 95435121 QFPDBBIDYZFCRK-NSHDSACASA-N 312.394 3.621 0 40 DHAB O=C(Cc1ccc2c(c1)OCC2)N1CCC(c2ccccc2)CC1 95477083 UJCDIHIWELJYAK-UHFFFAOYSA-N 321.420 3.570 0 40 DHAB COc1ccc2cc(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)ccc2c1 95634437 OUSOPRRVFXMCMP-IRXDYDNUSA-N 310.349 3.698 0 40 DHAB O=C(c1cscn1)N1CCC[C@H]1Cc1c(F)cccc1Cl 96403934 BHHZAGCUEISTEL-JTQLQIEISA-N 324.808 3.783 0 40 DHAB CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccnc1)c1cc(F)ccc1F 96419053 GATCRISVXOCJBC-CPUCHLNUSA-N 316.351 3.731 0 40 DHAB O=C(N1[C@@H]2CC[C@@H]1COC2)C1(c2ccc(Cl)cc2)CCCC1 101466962 AFCXNPAQFBBIQL-HZPDHXFCSA-N 319.832 3.542 0 40 DHAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(F)c(F)c1 102238795 KROMBEIVPDFQMX-UONOGXRCSA-N 317.335 3.740 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCC(=O)c1c[nH]c2ccccc12 102244582 UDWSHUCYAMNLOT-IHRRRGAJSA-N 311.381 3.720 0 40 DHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113954703 FGLOMJVAZHMBEL-KLZNWCGWSA-N 301.430 3.882 0 40 DHAB CCc1ccccc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 225039792 IQCKBVREUKBSPC-INIZCTEOSA-N 304.773 3.977 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(C)cc1 225605143 BQMLFJNDMOKSEA-QGZVFWFLSA-N 321.417 3.872 0 40 DHAB Cc1ccccc1CSCCNC(=O)Cc1cccs1 225627975 OOZPAGCPXXQMCD-UHFFFAOYSA-N 305.468 3.649 0 40 DHAB COc1ccc([C@@H](O)c2ccc3c4c(cccc24)CC3)cc1N 226295815 JZQAAYVMDLLNOZ-HXUWFJFHSA-N 305.377 3.611 0 40 DHAB Cc1ccc(Cl)cc1-n1nnnc1-c1ccc(Cl)cc1 338088 MWSIRJALXZOSFE-UHFFFAOYSA-N 305.168 3.945 0 40 DHAB C[C@@H]1CCCCN1C(=O)COc1ccc(Cl)cc1Cl 830002 CSHQNBUEFJQXNP-SNVBAGLBSA-N 302.201 3.773 0 40 DHAB Cn1c(SCc2ccc(Cl)cc2)nc2ccsc2c1=O 1402059 JRGDZRQQJZKLQK-UHFFFAOYSA-N 322.842 3.941 0 40 DHAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 2444177 GXJJUAIYKUPXJH-JTQLQIEISA-N 321.409 3.526 0 40 DHAB CCc1nnc(NC(=O)c2cc(C)nc3ccc(C)cc23)s1 3455961 KDUBKBUTKBYYEG-UHFFFAOYSA-N 312.398 3.518 0 40 DHAB COc1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1 3551969 NTDVLYKKTBWDGS-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB CCCSc1nnc(NC(=O)c2ccc(C)c(C)c2)s1 4086625 LQURYBGYWSGVMB-UHFFFAOYSA-N 307.444 3.909 0 40 DHAB Cc1cccc(Nc2nc(C(=O)NCCC(C)C)cs2)c1 4687893 BJSWMCARRIUYSE-UHFFFAOYSA-N 303.431 3.971 0 40 DHAB CCc1ccc(C(=O)NCCOc2ccccc2Cl)cc1 4727590 ZVTLVSUEGJPPKG-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB COc1ccccc1Nc1nnc(SCCSC)s1 4835826 ATWOUOUDFUJINT-UHFFFAOYSA-N 313.473 3.745 0 40 DHAB CC(C)(C)c1nnc(Nc2ccc(Cl)cc2Cl)[nH]c1=O 5154370 QFIQWQJSXJSASF-UHFFFAOYSA-N 313.188 3.513 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1Cl 5420901 CSKXFLHFBSHCIK-GFCCVEGCSA-N 310.825 3.611 0 40 DHAB O=C(/C=C/c1ccc(Br)o1)NC1CCCCCC1 5443390 GWOUTNYBKNQVPK-CSKARUKUSA-N 312.207 3.894 0 40 DHAB Cc1cc(C)c(NC(=O)Cc2ccc3c(c2)OCCO3)c(C)c1 6151926 JSGBUODAAPGUJI-UHFFFAOYSA-N 311.381 3.564 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1 7653708 REEYZIVMNBNEDI-UHFFFAOYSA-N 311.429 3.851 0 40 DHAB Cc1cc(C)cc(-c2nc3n(n2)N=C(c2ccccc2)CS3)c1 8715057 KIHVJWACOFDVPD-UHFFFAOYSA-N 320.421 3.920 0 40 DHAB CCc1c(C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccccn1 8715218 KQXMMLDQKRJFDE-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB CCOc1ccc(Nc2nc(C(=O)N3CCCC3)cs2)cc1 9208695 IPUDZNJOMGFTLB-UHFFFAOYSA-N 317.414 3.521 0 40 DHAB O=C(N[C@@H]1CCSc2ccccc21)c1cc(F)cc(F)c1 9315635 BDYQRYONAVQDJJ-CQSZACIVSA-N 305.349 3.932 0 40 DHAB c1coc(CNCc2ccc(-n3cnc4ccccc43)cc2)c1 9467479 MNSLFPYRBUVZQZ-UHFFFAOYSA-N 303.365 3.908 0 40 DHAB Cc1cccc(-n2ccnc2SCc2ccc(C(N)=O)cc2)c1 11197828 MCZNLHLBYXWOQW-UHFFFAOYSA-N 323.421 3.572 0 40 DHAB CC(C)c1ccc(OCCn2c(CO)nc3ccccc32)cc1 11735022 AQWMBGYDPUTXLW-UHFFFAOYSA-N 310.397 3.731 0 40 DHAB CC[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccc(F)cc1 12199952 LXPQQGROJQVJLX-HNNXBMFYSA-N 315.392 3.794 0 40 DHAB O=C(NCCc1cccnc1)c1ccc(Oc2ccccc2)cc1 12753892 YJOCLOIBGVNPDF-UHFFFAOYSA-N 318.376 3.846 0 40 DHAB COc1ccc(OC)c(CNc2nc3ccccc3s2)c1 12869430 JMFQCNMBLBNZRV-UHFFFAOYSA-N 300.383 3.926 0 40 DHAB CCCCCSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C 13284950 BLGALZWPYXGTCR-UHFFFAOYSA-N 314.505 3.981 0 40 DHAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 13709720 RAJBSDOUSUTPKK-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1nccs1 13719341 IBOMGAQVFQKKOM-UHFFFAOYSA-N 319.386 3.966 0 40 DHAB Cc1cc(C)cc(OCC(=O)N[C@H](C)CCc2ccccc2)c1 14398576 IFKGBVFGTXFJEC-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB CN1C(=O)c2ccccc2N[C@H]1c1ccc(Br)s1 15250313 PWFCGYIPHCACDB-GFCCVEGCSA-N 323.215 3.707 0 40 DHAB COc1cc2nc(NC(=O)c3ccccc3)sc2cc1OC 16944216 CWDHMNONQBHXGV-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20137471 WYRQRUNDOAQWQW-UHFFFAOYSA-N 307.349 4.000 0 40 DHAB c1ccc(CN2CCC(NCc3c[nH]c4ccccc34)CC2)cc1 23424917 ZPLXMBHBYQVGDS-UHFFFAOYSA-N 319.452 3.922 0 40 DHAB CN(Cc1ccncc1)c1nc(C(F)(F)F)nc2ccccc12 29874841 LOBOCMFXLULYAQ-UHFFFAOYSA-N 318.302 3.680 0 40 DHAB C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CC/C(=C\CO)CO 31157436 NNDLUXBYTPAACV-DAIZMEGISA-N 324.505 3.671 0 40 DHAB biogenic,in-vitro COc1ccc(C(C)=O)cc1CN1CCC[C@@H]1c1cccn1C 32797320 KYGIBWLVQBLMLF-GOSISDBHSA-N 312.413 3.573 0 40 DHAB COc1cccc2cc(C(=O)NCc3c(F)cccc3F)oc12 38488879 BBLZFSRZWVYLDL-UHFFFAOYSA-N 317.291 3.650 0 40 DHAB Cc1ccc(OCCCCNC(=O)c2sccc2C)cc1 40122455 OJSRGXNZGICMQS-UHFFFAOYSA-N 303.427 3.954 0 40 DHAB Fc1cccc(-c2nc(-c3ccc(Br)o3)n[nH]2)c1 40164179 QJNHZUIPSCRJPV-UHFFFAOYSA-N 308.110 3.633 0 40 DHAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)c2nccs2)c1 40553524 ZIHNUTFQTNOATO-SNVBAGLBSA-N 310.806 3.535 0 40 DHAB Cc1nccn1-c1ccc(CNCc2cccc(Cl)c2)cn1 48782280 BESXKIYWFFJDEO-UHFFFAOYSA-N 312.804 3.519 0 40 DHAB COc1ccc(CCC(=O)N2CCc3sccc3[C@@H]2C)cc1 52568043 AUXIIOANTBYGOK-ZDUSSCGKSA-N 315.438 3.835 0 40 DHAB O=C(NC[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F 58162666 PLLRNRNVFNIBGH-AWEZNQCLSA-N 324.302 3.561 0 40 DHAB COc1ccccc1NC(=O)N[C@@H](C)COc1ccc(C)cc1 62648392 XXQNQCAQYMVHAG-AWEZNQCLSA-N 314.385 3.593 0 40 DHAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H](C)c1cccnc1 65593155 PEBXKOYHIVCMFN-AWEZNQCLSA-N 322.412 3.767 0 40 DHAB Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 69430796 BIKUZZZALIKOHA-VSGCLNPGSA-N 323.392 3.657 0 40 DHAB COc1ccccc1-c1c[nH]cc1C(=O)N(C)CCC(C)C 69441676 HYABTSPSVXIJDQ-UHFFFAOYSA-N 300.402 3.808 0 40 DHAB O=C(NCc1csc(C2CC2)n1)[C@H]1C[C@@H]1c1ccc(F)cc1 69753513 NLJSFSIGGQZNGW-CABCVRRESA-N 316.401 3.580 0 40 DHAB COCCN(C(=O)c1ccc2[nH]c(=S)oc2c1)C1CCCC1 73029966 CHPUOOZQOKCEOQ-UHFFFAOYSA-N 320.414 3.522 0 40 DHAB CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2Cl)CC1 79030748 ZJXWWJHVVAGAKA-UHFFFAOYSA-N 311.809 3.559 0 40 DHAB C[C@H](NCc1cccn1C)c1noc(-c2ccc(Cl)cc2)n1 80342440 HQOWGNYBTYBXES-NSHDSACASA-N 316.792 3.579 0 40 DHAB C[C@H](NCCCc1cccc(Br)c1)c1cnccn1 89555551 ZQODFQIXOSKPBW-LBPRGKRZSA-N 320.234 3.523 0 40 DHAB Cc1[nH]ncc1CCCN[C@H]1CC2(CCC2)Oc2ccccc21 95420040 BLFFUGCBSITANI-KRWDZBQOSA-N 311.429 3.687 0 40 DHAB Cc1ccc(CN2CCOCC2)cc1NCc1ccsc1 95429240 SVBGVHBESDQVMA-UHFFFAOYSA-N 302.443 3.501 0 40 DHAB C[C@H]1C[C@@H](N(C)CCc2ccncc2)CCN1Cc1ccccc1 96414927 ZIVXBPAXOUVBBE-RXVVDRJESA-N 323.484 3.609 0 40 DHAB CC(C)NC(=O)Nc1ccc([C@@H](C)NC[C@@H]2CCCS2)cc1 96479269 ZULMEJBMFFLHSK-CJNGLKHVSA-N 321.490 3.763 0 40 DHAB O=C(O)c1ccc(Oc2cc(-c3ccc(F)cc3)ncn2)cc1 96531095 KBRUCSWXQFXBCB-UHFFFAOYSA-N 310.284 3.773 0 40 DHAB C[C@@H](C(=O)NCCC1=CCCCC1)N(C)Cc1cccc(F)c1 96971641 DQLHTBBJLWUJGS-HNNXBMFYSA-N 318.436 3.653 0 40 DHAB c1ccc(COC[C@@H](NC2CCOCC2)c2ccccc2)cc1 97017057 WNBVFLVGCFCHKF-HXUWFJFHSA-N 311.425 3.713 0 40 DHAB CCCOC(=O)N1[C@@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 100675813 KPOVWBPVLIZDGP-HTQZYQBOSA-N 317.229 3.657 0 40 DHAB C[C@H]1CCCCN1C[C@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104489068 JVWNDFSGDRHMEI-IPLXSBJHSA-N 323.521 3.843 0 40 DHAB CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3ccncc3)C2)cc1 121210250 CRKKNZFLRSLYAA-SFHVURJKSA-N 324.424 3.673 0 40 DHAB O=C(O)/C(=C/c1cccc(O)c1)Sc1nc2ccccc2o1 208842126 CZHQJJJPYXCIDH-ZROIWOOFSA-N 313.334 3.751 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=O)CCc2ccccc2F)cc1 223094222 BTVXGMQBSSBDON-HNNXBMFYSA-N 315.388 3.650 0 40 DHAB COc1cccc2cc(C(=O)NC[C@H](C)c3ccccc3)oc12 224096903 IQWQOMYBCUQJAZ-ZDUSSCGKSA-N 309.365 3.975 0 40 DHAB CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cn1 225912890 ULOMNICOQHKRDT-GOSISDBHSA-N 320.433 3.794 0 40 DHAB CC(C)Oc1nn(C)c2ccc(NC(=O)c3cccs3)cc12 227164641 YKHQBGUNYHNHQZ-UHFFFAOYSA-N 315.398 3.674 0 40 DHAB Cc1ccnc([C@@H]2CCN(C(=O)c3csc(C(C)C)c3)C2)n1 257236104 HATYESDKYCUDCT-CYBMUJFWSA-N 315.442 3.600 0 40 DHAB O=Cc1cc(Br)c(-n2cc(C=O)c3ccccc32)o1 408556074 ZHELEGIMZGDHEG-UHFFFAOYSA-N 318.126 3.611 0 40 DHAB COc1ccc([C@@H](NCc2ncccc2F)C2CC2)c(F)c1 566084801 SVWNFARUHJSYFM-KRWDZBQOSA-N 304.340 3.609 0 40 DHAB O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)[C]2CC3=O)c1c[nH]c2ccccc12 1560408654 IRKCAYNOQUQRMA-KPWCQOOUSA-N 322.384 3.677 0 40 DHAB CNc1nc(Cl)nc2c1C(C)(C)CN2c1ccc(F)cc1 1772715212 YPSVPFFHOULTRF-UHFFFAOYSA-N 306.772 3.740 0 40 DHAB COc1cc(OC)c(C(=O)Oc2cccc(C)c2C)cc1OC 365414 QWVKOPZGHHSGSV-UHFFFAOYSA-N 316.353 3.548 0 40 DHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCCCC1 374033 SZWQDCAWIFQVSH-UHFFFAOYSA-N 308.230 3.558 0 40 DHAB O[C@H](c1ccccc1)c1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 382804 AHBSFBQHTBVUMG-GHTZIAJQSA-N 318.420 3.704 0 40 DHAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(C)on2)cc1 1010685 NPEYEAOPVBSGPN-UHFFFAOYSA-N 315.373 3.610 0 40 DHAB CCOc1cc(C=O)cc(I)c1C(C)C 1438618 HJJRNQQNDLDJFO-UHFFFAOYSA-N 318.154 3.626 0 40 DHAB O=C(c1ccc(Cl)cc1)c1cccc[n+]1Cc1ccccc1 1564581 UZEIOPFWUCCQSH-UHFFFAOYSA-N 308.788 3.907 0 40 DHAB CC[C@@H](C)[C@H](C(=O)OC1CCN(CC)CC1)c1ccccc1 1726498 UBWAHRVZHIOXEQ-QAPCUYQASA-N 303.446 3.844 0 40 DHAB COc1ccccc1-n1cnnc1SCc1ccc(C)cc1 2644662 MKGLSPHFLJUGPQ-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c1 3443026 MUCSQTUCEJJZKG-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB O=c1ccc2ccc(OCc3nc4ccccc4s3)cc2o1 3598733 FLVAEVRFZSRWAQ-UHFFFAOYSA-N 309.346 3.982 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F 4276156 PXPLHSDIUFAHGI-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB CC1=C(C)C[C@H](C(=O)Nc2c(C)cccc2C)[C@@H](C(=O)O)C1 4651519 ZTXFNELASGUFNI-GJZGRUSLSA-N 301.386 3.689 0 40 DHAB CC(C)CCN[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 4673489 HXADPMAIANZNBX-LJQANCHMSA-N 308.425 3.977 0 40 DHAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 4887460 GKHMLMUXODLNKN-NZPOWLKHSA-N 306.490 3.997 0 40 DHAB in-vitro CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)C(C)(C)C)cc12 5174517 KXQIUROBZWCUQY-UHFFFAOYSA-N 317.385 3.615 0 40 DHAB Cc1cc(C)c2c(n1)sc1c(=O)n(-c3ccccc3)c(C)nc12 5234626 KEZLFZZGNXOGPH-UHFFFAOYSA-N 321.405 3.921 0 40 DHAB COc1ccc(-c2ccc(NC(=O)c3cccc(C)c3)cc2)nn1 5259587 VPYBPUREKHYOOP-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB CCC(=O)c1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 6988387 IFRYQUSPAOLNKH-IBGZPJMESA-N 323.392 3.678 0 40 DHAB COc1ccc2cc(C(=O)N[C@H](C)c3ccccn3)ccc2c1 7736030 CQIOVYKMVIOWSO-CYBMUJFWSA-N 306.365 3.734 0 40 DHAB Cc1cc(C)cc(OCCOc2ccc(-c3nnco3)cc2)c1 7777969 GQDIHEGWBXPVRZ-UHFFFAOYSA-N 310.353 3.811 0 40 DHAB CSc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1 8129712 XDYHFPRSFJOWGZ-UHFFFAOYSA-N 301.415 3.972 0 40 DHAB CC(=O)NCc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 8297653 KJCILDVKUXLPOO-UHFFFAOYSA-N 324.405 3.819 0 40 DHAB O=C(c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 8519504 GBZXPADEPWWEJQ-UHFFFAOYSA-N 305.299 3.904 0 40 DHAB Cc1cccc(Cc2cnc(NC(=O)c3cc(C)on3)s2)c1 8944917 SVSDGXRTOHUKTD-UHFFFAOYSA-N 313.382 3.591 0 40 DHAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 8987009 MSONJKRSRDAMKF-ZDUSSCGKSA-N 315.344 3.743 0 40 DHAB CCCCCC(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 9064387 MZARHNQKXDRWFY-UHFFFAOYSA-N 323.868 3.611 0 40 DHAB CC1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1 9366438 HEJZGRHHSVPOAL-UHFFFAOYSA-N 307.393 3.790 0 40 DHAB C[C@H](NC(=O)Nn1cnc2ccccc21)c1cccc(Cl)c1 10402519 OUOATEUQKXIWEC-NSHDSACASA-N 314.776 3.704 0 40 DHAB CC(C)N1CCC(NC(=O)Nc2cccc3ccccc23)CC1 11006422 MVWICWJFZAISDA-UHFFFAOYSA-N 311.429 3.834 0 40 DHAB O=C(NC1CCCCCC1)c1nc(-c2ccc3[nH]ccc3c2)no1 12390135 KAGNTNGMMOUVSO-UHFFFAOYSA-N 324.384 3.671 0 40 DHAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccncc1 12620255 GEIAJTVAKQOMFM-ZDUSSCGKSA-N 304.802 3.702 0 40 DHAB O=C1c2ccccc2C(=O)N1CSCc1ccc(Cl)cc1 12757299 FOTPJDRROAYTBR-UHFFFAOYSA-N 317.797 3.827 0 40 DHAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 12776895 CICJVJJVVVOJLE-BZNIZROVSA-N 316.351 3.569 0 40 DHAB C[C@@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1(Cl)Cl 12852041 CZAUBUOPIFLOBF-JTQLQIEISA-N 324.110 3.531 0 40 DHAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2C)c1 13668681 MJZAPVPNJURZAA-INIZCTEOSA-N 317.454 3.792 0 40 DHAB Cc1ccc(C)c(OCCCn2cnc3ccsc3c2=O)c1 14809849 CDPWPYQAJTZQFJ-UHFFFAOYSA-N 314.410 3.544 0 40 DHAB C[C@H]1C[C@@H](C)CN(Cc2nnc(-c3ccccc3Cl)o2)C1 15257913 DTKCMYBIRBVHBW-TXEJJXNPSA-N 305.809 3.868 0 40 DHAB CCOc1c(Cl)cc(C(=O)NC2CCCCC2)cc1OC 15344566 OMBZWSPVBQQFNF-UHFFFAOYSA-N 311.809 3.810 0 40 DHAB O=C(NCc1ccccc1)C1=Cc2cc(Cl)ccc2OC=C1 15838564 DIJCGMXMXRELDZ-UHFFFAOYSA-N 311.768 3.946 0 40 DHAB Oc1ccc(CCc2n[nH]c(=S)n2-c2ccc(F)cc2)cc1 15923551 CAQNCYJKSKYPSA-UHFFFAOYSA-N 315.373 3.560 0 40 DHAB Cc1ccc(NC[C@H](CC(=O)O)c2nc3ccccc3[nH]2)cc1C 17052876 JMVWGAXQZNKQGR-AWEZNQCLSA-N 323.396 3.850 0 40 DHAB c1ccc(-c2nnc([C@@H]3CCCN3Cc3ccsc3)o2)nc1 19403388 VRXTXHAWAOSVCW-AWEZNQCLSA-N 312.398 3.530 0 40 DHAB CC(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 20470456 AYCUDRNRIXMKLR-UHFFFAOYSA-N 322.452 3.768 0 40 DHAB O=C(CSC1=Nc2ccccc2CS1)Nc1nccs1 21627323 ZZZIDJKIMDRZSB-UHFFFAOYSA-N 321.452 3.749 0 40 DHAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccnn2C(C)C)c1C 23416035 OUUNVOIDXJQECP-AWEZNQCLSA-N 300.406 3.520 0 40 DHAB COCc1cccc(NC(=O)CCSc2ccccc2)c1 26031702 DKAZAMQCBGTYTB-UHFFFAOYSA-N 301.411 3.954 0 40 DHAB Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H](C)C2)c1C1CC1 29737263 TVYUSBNURLIBHV-AWEZNQCLSA-N 323.440 3.930 0 40 DHAB Cc1ccc(CNC(=O)CCCc2nc3ccccc3[nH]2)cc1 32827549 GYBLXARKFOBFMJ-UHFFFAOYSA-N 307.397 3.510 0 40 DHAB COc1ccc(CNc2ccc(Cl)c(C(=O)O)c2)cc1F 37758130 QXIJCIMHCIATHA-UHFFFAOYSA-N 309.724 3.798 0 40 DHAB COc1ccccc1CN(C)C(=O)CSc1ccc(C)cc1 38755069 XEKREGZGWYCFAX-UHFFFAOYSA-N 315.438 3.754 0 40 DHAB CCc1ccc2oc(-c3ccc4nc(NN)sc4c3)nc2c1 40542397 UJJRDNRESYGFPD-UHFFFAOYSA-N 310.382 3.953 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccc(Cn2cccn2)cc1 47176977 JSIPTNXJEQCVAH-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB CCCCO[C@H](C)C(=O)Nc1ccc(Br)cc1C 48367335 TWDWYUXBHBRAOS-LLVKDONJSA-N 314.223 3.901 0 40 DHAB c1ccc(Cc2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)cc1 49169804 QYTIFHOYAYBVEC-SFHVURJKSA-N 319.408 3.650 0 40 DHAB biogenic,in-vitro C[C@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl 57703501 ABIWDPPNYCKXMD-GUYCJALGSA-N 316.832 3.820 0 40 DHAB CN(Cc1ccccn1)C(=O)Cc1ccc(-c2ccccc2)cc1 58354964 FNHNUUNNVPHGDK-UHFFFAOYSA-N 316.404 3.950 0 40 DHAB CC(C)Cn1ccnc1NC(=O)c1ccc(-n2cccc2)cc1 64660974 OTHQUEBCHDKOPH-UHFFFAOYSA-N 308.385 3.582 0 40 DHAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccncc1 65607786 YDTHVBAALOGPLF-OAHLLOKOSA-N 309.413 3.592 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1 71902850 KDFHCNZHOAJJDT-CZUORRHYSA-N 318.417 3.569 0 40 DHAB CCOC(=O)Nc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1C 72274146 MOYUQQWPLMILIM-WCQYABFASA-N 319.405 3.874 0 40 DHAB C[S@](=O)Cc1cc(NC(=O)c2cccs2)ccc1Cl 72285687 ASBDJWQPWAIYMO-LJQANCHMSA-N 313.831 3.532 0 40 DHAB Cc1ccc2c(ccn2CC(=O)Nc2nc3c(s2)CCC3)c1 72405715 IMCNNGIYWJKZFV-UHFFFAOYSA-N 311.410 3.534 0 40 DHAB O=C(c1ncoc1[C@H]1CCCO1)N1CCCC2(CCCCC2)C1 79361849 UFQHEUUBJMARCD-CQSZACIVSA-N 318.417 3.713 0 40 DHAB Cc1ccnc(S[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 79440823 KROJLDLJWZQBME-CYBMUJFWSA-N 308.447 3.882 0 40 DHAB Cc1ccc([C@@H](C)NCc2cc(O)ccc2Br)o1 95428170 DYHMSEFFGOWKJL-SNVBAGLBSA-N 310.191 3.907 0 40 DHAB COc1ccc2cc(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)ccc2c1 95634438 OUSOPRRVFXMCMP-IAGOWNOFSA-N 310.349 3.698 0 40 DHAB CC(C)c1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 95954827 KTXIETRUVRXUGX-UHFFFAOYSA-N 306.793 3.943 0 40 DHAB COc1ccc([C@@H](C)N[C@H]2CCc3c(O)cccc32)c(F)c1 95967728 IXUMBGROLHWLPR-DIFFPNOSSA-N 301.361 3.878 0 40 DHAB Cc1noc(-c2ccc(NC(=O)C3CC=CC3)c(Cl)c2)n1 96011687 WMGDMGFOSOARAP-UHFFFAOYSA-N 303.749 3.603 0 40 DHAB N[C@@H](CNC(=O)OCc1ccccc1)c1ccc2ccccc2c1 96295487 DWWDQIVHSPBXFK-IBGZPJMESA-N 320.392 3.766 0 40 DHAB CO[C@](C)(CNC(=O)c1ccsc1)c1cccc(Cl)c1 96392324 RMBKMSBGKSGBSE-OAHLLOKOSA-N 309.818 3.693 0 40 DHAB CCN(CC)Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 96583234 JMTXRVKJNYOUHO-UHFFFAOYSA-N 312.413 3.789 0 40 DHAB O=C(c1cc(Cl)c(Cl)[nH]1)N(Cc1ccncc1)C1CC1 97211699 PPJIMQUUKLVYPA-UHFFFAOYSA-N 310.184 3.521 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 107343272 NYMYVMDNKKTICZ-QVSJOPQTSA-N 310.825 3.510 0 40 DHAB C[C@H](NC(=O)COc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108869949 IQLFKLHHRFOXPQ-QCQGSNGOSA-N 307.821 3.660 0 40 DHAB CCOc1ncccc1-c1nnc(-c2ccc(Cl)cc2)o1 216607105 NPCQPIDCAHZOAT-UHFFFAOYSA-N 301.733 3.851 0 40 DHAB Cc1cccc(OCCNC(=O)CSc2ccccc2)c1C 223898691 PDDCKCJOUMJDLK-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB CCSc1ccccc1C(=O)NCCOc1ccccc1C 224639358 NTGZMYICGRBEIM-UHFFFAOYSA-N 315.438 3.916 0 40 DHAB S=C(Nc1ncccn1)NC(c1ccccc1)c1ccccc1 225177602 USURNPJFJOIOJQ-UHFFFAOYSA-N 320.421 3.553 0 40 DHAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1 225364104 MNERUZQLOWPPBN-UHFFFAOYSA-N 309.365 3.799 0 40 DHAB COc1ccc([C@@H](C)NC(=O)CCc2ccccc2F)cc1 225791552 XHKWAQIGGFPZRH-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB Fc1ccc([C@@H](NCCCn2cccn2)C2CCCC2)cc1 536951820 UFZAKSQZVKQNQL-SFHVURJKSA-N 301.409 3.933 0 40 DHAB O=C(c1ccc(Br)cc1OC(F)(F)F)C(F)F 575242944 DFJZXKPSIMJMMV-UHFFFAOYSA-N 319.023 3.796 0 40 DHAB Cc1cnc(NC(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)o1 577219250 WXKRNTMCCMFSOX-QGZVFWFLSA-N 317.364 3.751 0 40 DHAB CCc1nccn1CC1CN(Cc2ccccc2C(F)(F)F)C1 2086886931 FPKNZKWGUFYRGE-UHFFFAOYSA-N 323.362 3.596 0 40 DHAB O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)O)CCCC2 38137 GFCAYKAOXCYHRX-BQYQJAHWSA-N 317.366 3.570 0 40 DHAB CC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 132234 RUTVUBFQAAQPFG-SCZZXKLOSA-N 306.456 3.886 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@@]12O[C@@H]2c1ccc(Cl)cc1 152918 MYNCDMBDBDYXHG-NVXWUHKLSA-N 312.756 3.573 0 40 DHAB O=C(O)c1ccc(CNc2nc(=S)[nH]c3ccccc23)cc1 425509 XBVKXOKUZZSJQC-UHFFFAOYSA-N 311.366 3.603 0 40 DHAB O=C(O)c1ccc(-c2ccc(OCCCCCO)cc2)c(F)c1 2383811 OYTPKZRAPXFUOV-UHFFFAOYSA-N 318.344 3.732 0 40 DHAB CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc2c(c1)OCO2 3069642 CSQYZXMRPQHNCD-QSYFUGGGSA-N 303.402 3.761 0 40 DHAB CC1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 3438829 YZOJSJPBMAAXIP-JFUPDXTOSA-N 317.429 3.553 0 40 DHAB O=C(CCCc1nc(-c2ccccc2)no1)NC1CCCCC1 4434108 WANYLWQNBDSNDA-UHFFFAOYSA-N 313.401 3.508 0 40 DHAB C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1 4553170 XBFWCUCWTYZLCK-CYBMUJFWSA-N 305.333 3.663 0 40 DHAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)c1cccs1 4740837 NORYLPHDZJBQCU-UHFFFAOYSA-N 316.403 3.558 0 40 DHAB CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1ccc(F)cc1 5001234 IDWQOXJWQUUUSA-UHFFFAOYSA-N 314.360 3.732 0 40 DHAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(Cl)c(Cl)c1 5174372 DLQGKIOQLWXJIL-XFFZJAGNSA-N 308.120 3.931 0 40 DHAB CC(C)CCNc1nc2sc3c(c2c2ncnn12)CCCC3 5572960 XTWMZZNFVWAWSC-UHFFFAOYSA-N 315.446 3.676 0 40 DHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2)CC1 6613940 RZDGSCQPCFALGQ-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB CCOc1ccc(NC(=S)NCc2ccccc2C)cc1 7102856 FIFWEMOMGVALHX-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CCc1nnc(S/C(=C\c2ccc(Cl)cc2)C(=O)O)o1 7342675 QFCMIUIPTUPSST-YFHOEESVSA-N 310.762 3.503 0 40 DHAB O=c1[nH]c(CSc2ccccc2)nc2ccc(Cl)cc12 8457880 XMWQHBPBDIHTJB-UHFFFAOYSA-N 302.786 3.869 0 40 DHAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 8987007 MSONJKRSRDAMKF-CYBMUJFWSA-N 315.344 3.743 0 40 DHAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)C(C)C)ccc1O2 9135052 NYPXXKZCNSOKCJ-UHFFFAOYSA-N 310.353 3.948 0 40 DHAB C[C@H](NC(=O)CCc1ccc(F)cc1)c1nc2ccccc2[nH]1 9467634 JACGKJSTDFTXIP-LBPRGKRZSA-N 311.360 3.512 0 40 DHAB Cc1cc2occ(CC(=O)NCCC[C@H]3CCOC3)c2cc1C 12204148 ISUAKHPYRZNCLE-HNNXBMFYSA-N 315.413 3.525 0 40 DHAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)Nc1ccccc1 12759163 XTNVCRHYPILQFH-LLVKDONJSA-N 301.367 3.504 0 40 DHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1ccccc1 12806194 CNWSNZSSJSLCTJ-GOSISDBHSA-N 309.413 3.645 0 40 DHAB CC(=O)Nc1ccc(F)c(NC(=O)CCCc2cccs2)c1 12989421 ZPRYCMVKZLKIBQ-UHFFFAOYSA-N 320.389 3.807 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 13710656 RSJOWRDGSBEPGC-HNNXBMFYSA-N 311.381 3.912 0 40 DHAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccccc1F 14037564 HPAJZHHWQFVPHD-UHFFFAOYSA-N 316.401 3.823 0 40 DHAB Cc1ccccc1NC(=O)Cc1csc(-c2ccccn2)n1 14122702 BCURVLQHJJAPLM-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C)cc21 17247869 DMFGFKYZWSMSQL-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB S=C(NCCC1=CCCCC1)Nc1ccc2c(c1)OCCO2 17449166 YVONOGXGZNIJBK-UHFFFAOYSA-N 318.442 3.635 0 40 DHAB CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 20141878 QLFFWEAYECHGSM-LBPRGKRZSA-N 313.353 3.814 0 40 DHAB CCc1ccc(-n2nc3ccc(NC(=O)CC(C)C)cc3n2)cc1 20610127 QXSDFVBNEPINDB-UHFFFAOYSA-N 322.412 3.968 0 40 DHAB Cc1c(C(=O)Nc2cccnc2-n2cccn2)oc2ccccc12 25010847 CFPMLBAFLBHRLM-UHFFFAOYSA-N 318.336 3.574 0 40 DHAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccccn2)c1C 27922040 CBUGHGWLNPRMNP-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB Cc1ccn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)n1 28241859 UTWXKDBAHNSDQJ-UHFFFAOYSA-N 309.344 3.501 0 40 DHAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1cn[nH]c1 30663927 BOGXMTSZFWJETO-UHFFFAOYSA-N 316.364 3.670 0 40 DHAB COc1ccc(S[C@@H](C)C(=O)N(C)C2CCCC2)cc1OC 38754945 AOWWKZXFVTZWRS-LBPRGKRZSA-N 323.458 3.585 0 40 DHAB CCCN(Cc1ccccc1)C(=O)c1cnc2onc(C)c2c1 43092360 DZYICOLQWIMTOT-UHFFFAOYSA-N 309.369 3.584 0 40 DHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(C(=O)O)cc1 44135423 JNIWLSIBKAVFJK-CQSZACIVSA-N 305.374 3.847 0 40 DHAB Cc1nc2ccccc2nc1NCc1cnn(-c2ccccc2)c1 44782237 QMPYJVJRSVTOAN-UHFFFAOYSA-N 315.380 3.736 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H]2CCc3ccccc32)on1 45305642 KHEWNLPXPMDSOR-HZPDHXFCSA-N 311.385 3.517 0 40 DHAB COc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cn1 48018063 MLHAHIFFPBWUAK-ZDUSSCGKSA-N 303.387 3.521 0 40 DHAB Cc1sc2ncnc(NC3CCN(CC(C)C)CC3)c2c1C 58581385 NWJLJXKGZDJZOQ-UHFFFAOYSA-N 318.490 3.840 0 40 DHAB C[C@@H](NCc1nc(-c2ccccc2)cs1)[C@@H](C)n1cccn1 69372158 HVPSQQNRKUYCPR-ZIAGYGMSSA-N 312.442 3.746 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)OC(C)(C)C)c1 72221875 BZEHRTWPJLIWDI-AWEZNQCLSA-N 307.390 3.776 0 40 DHAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nccs2)cc1 72272085 OTKJRIJMZJLQSW-OAHLLOKOSA-N 300.427 3.748 0 40 DHAB Cc1ccoc1C(=O)N1CCC[C@H](c2nc(C)c(C)s2)C1 72297448 UGEFLZVVINYYOF-ZDUSSCGKSA-N 304.415 3.681 0 40 DHAB CCCn1ccc2ccc(NC(=O)N(C)Cc3cnccn3)cc21 76070769 ZIVXPOLKNDXESD-UHFFFAOYSA-N 323.400 3.505 0 40 DHAB CCC(=O)N1CC[C@H](NCc2ccc3ccccc3c2)[C@@H](C)C1 78897188 WUUXTDPQBHAPPB-KXBFYZLASA-N 310.441 3.576 0 40 DHAB CCOc1cc(CNc2cc(CC)nn2C)cc(Cl)c1OC 79073397 ORBMZECHAVSHOI-UHFFFAOYSA-N 323.824 3.655 0 40 DHAB O=C(Cc1c[nH]c2ncccc12)N1CCCCC[C@H]1c1ccco1 89800285 GNNIKHGLBFRXQA-INIZCTEOSA-N 323.396 3.842 0 40 DHAB C[C@@H](CNC[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 95443044 PLXUJAKOKODMLM-YJBOKZPZSA-N 316.420 3.949 0 40 DHAB O[C@H](c1cccc(Br)c1)c1cc(F)c(F)c(F)c1 95730255 PGXJCZZXUPZGLM-CYBMUJFWSA-N 317.104 3.948 0 40 DHAB CCSc1ccc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)cn1 95978405 VOOZUPBROAVCAU-JTQLQIEISA-N 318.446 3.666 0 40 DHAB CC(=O)c1ccc(O)c(NC(=O)CCc2ccc(Cl)s2)c1 95992929 HNWCHPOPJDJHCC-UHFFFAOYSA-N 323.801 3.881 0 40 DHAB O=C(c1cscn1)N1CCSC[C@H]1c1ccc(Cl)cc1 96407410 KHIDHYWCJQKPBN-ZDUSSCGKSA-N 324.858 3.727 0 40 DHAB CC1=CCC[C@@H](C)[C@H]1CN1CCC(OC2CCOCC2)CC1 195575843 SYQIZYSEWALVKY-APWZRJJASA-N 307.478 3.639 0 40 DHAB COC(=O)[C@H]1CCC12CN(C(c1ccccc1)c1ccccc1)C2 218288620 XTPVLXNBYBAZAF-GOSISDBHSA-N 321.420 3.661 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 223372121 QDGHNKMRLFRVHL-MMNPAVHPSA-N 313.441 3.638 0 40 DHAB Cc1ccc(COC(=O)c2snnc2-c2cccs2)cc1 223847217 VZEKYIXVKFEAFC-UHFFFAOYSA-N 316.407 3.932 0 40 DHAB Cc1cc(CCCNC(=O)NCc2cccc3ccccc23)on1 253472813 PMDMLKIWSZTOME-UHFFFAOYSA-N 323.396 3.568 0 40 DHAB Cc1ncsc1-c1cc(C(=O)N2CCCCCC2)ccn1 257229654 FYZCTZGLMIJKHN-UHFFFAOYSA-N 301.415 3.530 0 40 DHAB CC1(c2ncc(Cl)s2)CCN(Cc2cncs2)CC1 257235942 HAECDHLAPOFFOP-UHFFFAOYSA-N 313.879 3.807 0 40 DHAB CSC[C@@H](C)C(=O)NCc1ccc(-c2scnc2C)cc1 585131378 UBZKBNMLCKCMRE-LLVKDONJSA-N 320.483 3.734 0 40 DHAB c1coc([C@@H](CNc2ncnc3ncccc23)c2ccsc2)c1 1775971188 ISIMGIDDZKHCAG-AWEZNQCLSA-N 322.393 3.923 0 40 DHAB O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccco1 283061 YPMAOQWIZYARNH-UHFFFAOYSA-N 324.311 3.923 0 40 DHAB CCCc1nc(SCC(=O)OC)c2c(C)c(C)sc2n1 414023 YMVLONFKYXOQFN-UHFFFAOYSA-N 310.444 3.526 0 40 DHAB O=C1Nc2ccccc2Oc2ccc(NC(=O)C(F)(F)F)cc21 1444133 YOPWPTWCYQTTIQ-UHFFFAOYSA-N 322.242 3.545 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(CCN(C)C)c1ccccn1 1587110 VNOZVPYTFVZKPD-CQSZACIVSA-N 303.837 3.864 0 40 DHAB Cc1ccc(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)c(C)c1 4023525 IFUBDYAUWMJOSL-FUHWJXTLSA-N 301.430 3.725 0 40 DHAB biogenic O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)CCC2 4496744 VCHIWXPTVFCQCD-UHFFFAOYSA-N 308.403 3.502 0 40 DHAB CC(C)C(=O)N[C@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998168 GWSXJJPHQISQMH-GFCCVEGCSA-N 315.417 3.867 0 40 DHAB C[C@H](O)Cn1c(-c2ccccc2)nc(=S)c2c1CCCC2 5477917 KRPYPZQBIXJBQG-LBPRGKRZSA-N 300.427 3.539 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc2ccccc12 5518990 ATEILRMMIZTFGE-MHGIMSBQSA-N 303.361 3.541 0 40 DHAB O=C(Nc1cccc(I)c1)c1ccccc1 6284972 YDSSNARSCZZMIP-UHFFFAOYSA-N 323.133 3.544 0 40 DHAB C[C@@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@H]12 6468568 CXFWIKINSICEBC-NMLNPHGOSA-N 304.430 3.894 0 40 DHAB CCCC(=O)c1cn(CC(=O)NC2CCCC2)c2ccccc12 6569711 XBFOZNSMNKEWEE-UHFFFAOYSA-N 312.413 3.683 0 40 DHAB O=C1CCCN1c1ccc(Nc2ncnc3sccc23)cc1 7612783 ARFLRXNPEIKCGN-UHFFFAOYSA-N 310.382 3.562 0 40 DHAB CC(C)[C@@H](NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 8062003 VTMBNICVURUTDJ-GOSISDBHSA-N 311.381 3.585 0 40 DHAB CCc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1ccccc1 8715287 WAJNPOUJSTYIFM-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 9136857 GALQEAVKZBCPIK-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB O=C(Cc1coc2ccc3ccccc3c12)Nc1nncs1 9595698 LFWAXJCVFXKYKV-UHFFFAOYSA-N 309.350 3.619 0 40 DHAB O=C(NN1CCCCC1)c1cc2c(s1)-c1ccccc1CC2 9835680 CTQKAWIMVOBFBA-UHFFFAOYSA-N 312.438 3.644 0 40 DHAB COc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1OC 10409033 WWBFBJZMUUNMKT-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1F 11636873 IBTOUBMUJDJRTL-INIZCTEOSA-N 303.333 3.630 0 40 DHAB CC(C)[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1 12147331 NQXIAFFTSRJSIN-HNNXBMFYSA-N 317.458 3.867 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccccc2N2CCCC2=O)c1 12870943 VYMZDQAQBZHAQF-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB Clc1ccc(OCCSC2=N[C@H]3CCCC[C@@H]3N2)cc1 14196665 OVGUHKDYNWRFGA-KBPBESRZSA-N 310.850 3.722 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)COc1cccc(C)c1C 17970255 ILLAAJKVBXVHRC-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccccn1 21893599 PTNKEIVURASSGG-UHFFFAOYSA-N 319.364 3.843 0 40 DHAB Cc1ccc(C(=O)CCC(=O)NCCc2cccs2)cc1C 21911814 WBJGSNBZIIZFDQ-UHFFFAOYSA-N 315.438 3.687 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1Cl 22558557 MTOHFIUOJIAHFZ-UHFFFAOYSA-N 313.788 3.891 0 40 DHAB CSc1ccc([C@H](C)NC(=O)c2cccc3cn[nH]c23)cc1 27165619 FINMYWWMVQIJGY-NSHDSACASA-N 311.410 3.776 0 40 DHAB CCCc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1 27601873 LXEJJBSVWJIQAJ-UHFFFAOYSA-N 308.385 3.551 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1C 32476010 QWLKKBJSXUKKDY-DOTOQJQBSA-N 311.425 3.991 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 32657923 RFIWJWSRACHZON-AWEZNQCLSA-N 317.816 3.604 0 40 DHAB Cc1cc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)on1 32814186 OOCBFKITADJSJQ-UHFFFAOYSA-N 311.312 3.932 0 40 DHAB Cc1ccc(-c2nccc(Oc3cccc(C(=O)O)c3)n2)cc1 32918477 DDFKWTNCTKAKKJ-UHFFFAOYSA-N 306.321 3.943 0 40 DHAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)C12CC3CC(CC(C3)C1)C2 36806354 ZGJCNMVAQZZCHM-QLFDAEIZSA-N 317.454 3.586 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCOc2ccccc2)o1 40012195 BYKAEDFNNPXLPM-WMLDXEAASA-N 313.397 3.531 0 40 DHAB COc1cccc(NC(=O)CSC[C@H]2CC2(Cl)Cl)c1 40497396 MVGCMSPCIYUQLY-SECBINFHSA-N 320.241 3.561 0 40 DHAB Cc1cc2nc(N)sc2c(C)c1NC(=O)Cc1ccccc1 45888391 FFRTUMURCSDWEU-UHFFFAOYSA-N 311.410 3.677 0 40 DHAB Cn1c([C@@H]2CCCCN2C(=O)c2ccco2)nc2ccccc21 54666078 TXQFCGPZZQWXID-HNNXBMFYSA-N 309.369 3.534 0 40 DHAB Fc1ccc(NC(=S)NCCCOC2CCCC2)c(F)c1 57815689 VSRORCTUIAZFKL-UHFFFAOYSA-N 314.401 3.601 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 72214843 NRMYGDNKUBBUIN-HNNXBMFYSA-N 319.449 3.998 0 40 DHAB CCOCCC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)CC1 77003172 OTIWRMZYOPRKCU-RTBURBONSA-N 315.457 3.764 0 40 DHAB O=C(NC1CCCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 78265125 BJKDKWWZKSEZAD-MRXNPFEDSA-N 312.417 3.742 0 40 DHAB Nc1ncccc1-c1nc(-c2cc(Cl)ccc2Cl)no1 89263297 HKOJKUCVGKMOBP-UHFFFAOYSA-N 307.140 3.688 0 40 DHAB COc1ccc(C(=O)c2c(N)sc3c2CCC3)cc1Cl 95942433 UGHPIUZOUSCBJA-UHFFFAOYSA-N 307.802 3.712 0 40 DHAB COc1ccc([C@H](NC(=O)N2CC[C@H](C)[C@H]2C)C2CC2)cc1 95963558 MEUAZUNYMFFOFQ-OGHNNQOOSA-N 302.418 3.586 0 40 DHAB CC(C)n1cc(NC(=O)N2CCc3ccc(Cl)cc3C2)cn1 95976806 BICIXMYHBFXFLS-UHFFFAOYSA-N 318.808 3.708 0 40 DHAB Cc1ncsc1C(=O)N1CCc2c1cccc2C(F)(F)F 97115811 WTDCCQIELXHDLK-UHFFFAOYSA-N 312.316 3.673 0 40 DHAB CC1(C)CCC[C@H]2[C@]3(C)CC[C@@](C)([C@@H](O)CO)C[C@H]3CC[C@@]21O 98214409 OBDGLMHTEAXTDJ-OTCXFQBHSA-N 324.505 3.504 0 40 DHAB biogenic O=C(C1CCCCC1)N1CCc2cc(Br)ccc21 222972108 FMWBCDUOCZZGIQ-UHFFFAOYSA-N 308.219 3.919 0 40 DHAB Cc1cc(C)cc(OCCNC(=O)Cc2ccccc2Cl)c1 224112934 ANGHLUVABVSYSU-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCCCCNC(=O)c1ccc(OC)c(COCCCC)c1 224441931 WSDKPEJJORSZQL-UHFFFAOYSA-N 307.434 3.932 0 40 DHAB COc1ccc(C[C@@H](Oc2ccc(C)cc2)C(=O)O)cc1Cl 225122507 UEFDUIAFGUJUFH-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCCC1 225572528 NOASRTXSHOUDAW-OAHLLOKOSA-N 303.402 3.604 0 40 DHAB CCn1c(CNCc2ccc(OC)cc2)ccc1Cc1ccco1 226021671 PGXTZHLUSHFYEY-UHFFFAOYSA-N 324.424 3.990 0 40 DHAB CC1CCN(c2ccc(N)cc2NC(=O)c2cccs2)CC1 226254140 OZKODGCYFZODOM-UHFFFAOYSA-N 315.442 3.819 0 40 DHAB CC(C)N(c1ccc(N)cc1C(=O)N1CCCC[C@@H]1C)C(C)C 226323544 RJUXREOHINSVPW-HNNXBMFYSA-N 317.477 3.907 0 40 DHAB CCCN(CCC)c1ccc(N)cc1C(=O)N1CCC(C)CC1 226323622 ZUWQJLALHHNXSR-UHFFFAOYSA-N 317.477 3.767 0 40 DHAB CSc1cccc(NC(=O)c2ccnc(OCC3CC3)c2)c1 239611943 FFYASBGOVXJXGV-UHFFFAOYSA-N 314.410 3.845 0 40 DHAB Cc1cn[nH]c1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 257256492 KLRZXNHLSCZDAQ-MRXNPFEDSA-N 306.413 3.646 0 40 DHAB Cc1cc(CC[C@H]2CCCN2Cc2nccn2C(C)C)ccn1 257265784 MAFRZYJQMINMCW-GOSISDBHSA-N 312.461 3.765 0 40 DHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O 409011287 FYJVSICACYBMPX-QQMDNXKGSA-N 321.398 3.539 0 40 DHAB CC(C)n1ncc2ccc(NC(=O)N3CC(C4CCC4)C3)cc21 585082954 AEIMGCMFCORACZ-UHFFFAOYSA-N 312.417 3.881 0 40 DHAB CC(C)Cn1c2c(ccc1=O)C[C@@H](NCC1CCCCC1)CC2 2055781408 AJLAFNMWLKYEFI-SFHVURJKSA-N 316.489 3.532 0 40 DHAB O=C1C[C@H](c2ccccc2)SC(N2CCc3ccccc32)=N1 107856 UZENTRDFRMYADX-MRXNPFEDSA-N 308.406 3.810 0 40 DHAB CCOc1ccc(/C=C/C(=O)N2CCCCC2)cc1OCC 147558 BTXHQFYJSSQFSJ-PKNBQFBNSA-N 303.402 3.510 0 40 DHAB CN(C)c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 520765 HMEDISWIHLXMAB-UHFFFAOYSA-N 321.409 3.586 0 40 DHAB CCCCN1C(=O)N(c2cccc(C)c2)[C@@](C)(O)CC1(C)C 2274954 YWOOIFAFTCNXEN-SFHVURJKSA-N 304.434 3.914 0 40 DHAB CCn1c(SC[C@H]2CCCCO2)nnc1-c1ccccc1 2448887 BOWLNGDXVICXBF-CQSZACIVSA-N 303.431 3.626 0 40 DHAB COc1ccc2oc(C(=O)NN3[C@@H](C)CCC[C@@H]3C)c(C)c2c1 3352333 CWBXKEJDCLRRRL-RYUDHWBXSA-N 316.401 3.658 0 40 DHAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2F)c(C)c1 3394569 KAYSUSPLNKIRQK-UHFFFAOYSA-N 315.344 3.546 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N2CCc3ccccc3C2)n1 3504400 YZVIXYJPQCIOIR-GFCCVEGCSA-N 318.467 3.517 0 40 DHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCC[C@H](C)C1 4011541 FMTHLQDBSCILBQ-NTZUZEMLSA-N 311.510 3.557 0 40 DHAB CC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C 4083875 CMRJPMODSSEAPL-MUGJNUQGSA-N 312.409 3.900 0 40 DHAB biogenic COc1ccc(/C=C/C(=O)n2c(C)nc3ccccc32)cc1OC 5387343 OSSNXTQEGRWITM-PKNBQFBNSA-N 322.364 3.716 0 40 DHAB COc1ccc(-c2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 5727771 JMHRQXGPHUAQLT-UHFFFAOYSA-N 305.381 3.912 0 40 DHAB Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1 8025586 LVABUYCIMGEYLH-UHFFFAOYSA-N 322.452 3.883 0 40 DHAB O=C(O)c1ccc(NC(=S)Nc2ccccc2)c(Cl)c1 9265436 LVBHPQLBKBWPOZ-UHFFFAOYSA-N 306.774 3.847 0 40 DHAB Cc1oc(C)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1C 9897982 PDYFJRWQMZGVCK-UHFFFAOYSA-N 312.369 3.806 0 40 DHAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1C)c1ccccc1 12763846 XUSVRNUVMDPBNZ-ZQIUZPCESA-N 322.408 3.772 0 40 DHAB COc1ccc(CCNC(=O)c2ccc3c(c2)CCCC3)cc1 17154962 BEUWFZUPGOGESY-UHFFFAOYSA-N 309.409 3.547 0 40 DHAB CN(CCCNC(=O)Nc1ccc(Cl)cc1)c1ccccc1 18177979 DTYDDIXPNYPFEC-UHFFFAOYSA-N 317.820 3.988 0 40 DHAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccccn1 21895857 XPBRQWMWZAUPES-UHFFFAOYSA-N 306.365 3.591 0 40 DHAB CCn1cc(CN(C)C(=O)c2cc(SC)ccc2Cl)cn1 28222003 TWHQIXXMMZWXSH-UHFFFAOYSA-N 323.849 3.551 0 40 DHAB Cc1nc(C)c(C(=O)N(C)[C@@H]2CCCc3ccccc32)s1 29259359 SHRHDMNKGIHOMH-OAHLLOKOSA-N 300.427 3.910 0 40 DHAB C[C@@H](NC(=O)Nc1ccccc1)c1ccc(-n2ccnc2)cc1 29617171 AXRSHRDNCWMYBG-CQSZACIVSA-N 306.369 3.755 0 40 DHAB COc1ccc(C)cc1C(=O)Nc1cc2c(cc1Cl)OCO2 32496581 QWXJILTVMQDKNP-UHFFFAOYSA-N 319.744 3.638 0 40 DHAB C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Cl)s1 32825802 TWPMBUKRBJPYBU-QMMMGPOBSA-N 319.810 3.580 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)CCc1c[nH]c2ccccc12 48237534 DHCZHWFCUMPLNP-AWEZNQCLSA-N 310.397 3.831 0 40 DHAB C[C@@H](Nc1ccc(Br)cc1)c1nc(C2CC2)no1 48674221 ZYQWXDUVYBDSEX-MRVPVSSYSA-N 308.179 3.883 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1nncs1)C1CC1 65547442 WJPDALLZCMTOSE-VIFPVBQESA-N 322.821 3.949 0 40 DHAB CCC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC 65606437 WEXPMLZPTYCPDB-GFCCVEGCSA-N 312.207 3.531 0 40 DHAB Cc1cnn([C@H](C)[C@@H](C)NCc2cc(-c3ccccc3)no2)c1 69520680 DDRSUZLRZIGMMB-HUUCEWRRSA-N 310.401 3.586 0 40 DHAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc(O)cc2)S1 71285950 QJZZWPGWCIOYGC-CYBMUJFWSA-N 303.387 3.761 0 40 DHAB CC(=O)Nc1ccc(O[C@H](C)c2nc(-c3ccccc3)no2)cc1 72313667 NUCFEGMJTJNIMT-GFCCVEGCSA-N 323.352 3.835 0 40 DHAB CN1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 74713441 MCBFGOXMGDDVJF-UHFFFAOYSA-N 320.742 3.639 0 40 DHAB CS[C@@H](C)c1cccc(NC(=O)N[C@H](CO)c2ccco2)c1 76070412 KJSDOLCNHCOKGD-SMDDNHRTSA-N 320.414 3.559 0 40 DHAB Cc1n[nH]c(NC(=O)c2cc3c(s2)CCCCCC3)c1C 84052122 HPZWCZUOIMWJSP-UHFFFAOYSA-N 303.431 3.999 0 40 DHAB O=C(NCCc1ccoc1)C(c1ccccc1)c1ccccc1 90607404 PTEDGBXYURAMDV-UHFFFAOYSA-N 305.377 3.770 0 40 DHAB CCN(Cc1cnc2ccccn12)C(=O)c1cc2ccccc2o1 96025064 QUWHFJUPVALDAN-UHFFFAOYSA-N 319.364 3.743 0 40 DHAB Cc1ccc2c(c1)[C@H](NCc1ccc(C3OCCO3)cc1)CC2 97016941 XOKKZFZWXHSRJY-LJQANCHMSA-N 309.409 3.818 0 40 DHAB CCc1ccccc1NC(=O)NC[C@H]1CCCCN1CC(C)C 97020515 ADQPHQZCZHHBLM-QGZVFWFLSA-N 317.477 3.881 0 40 DHAB Cc1csc(C2=C(O)CN(Cc3ccc(Cl)cc3)C2=N)n1 102726909 RJQBZUVGSGDXKM-UHFFFAOYSA-N 319.817 3.867 0 40 DHAB C[C@H](NC(=O)CCCOc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999240 WLHLXJWNOQGCPP-BVIKNXMNSA-N 301.430 3.787 0 40 DHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(C2CC2)nc1 222595849 KQDCPQMLINVFSL-UHFFFAOYSA-N 308.168 3.913 0 40 DHAB Cc1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)c(C)c1 223539782 BBUNUIPOBVKNBU-UHFFFAOYSA-N 311.425 3.820 0 40 DHAB CCO[C@@H](C)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 225721771 UBCZLAVCRVFIAY-VIFPVBQESA-N 323.286 3.520 0 40 DHAB CCOc1ncc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225901778 DIFJYJSKGIHCGL-UHFFFAOYSA-N 320.433 3.713 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2c(C)cc(N)cc2Cl)c1 227145251 ANKKOSYCFFMWHY-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB CC(C)N1CCC(Cc2cccc(-c3nccs3)n2)CC1 257334865 YHRZWABKGSHNIR-UHFFFAOYSA-N 301.459 3.868 0 40 DHAB FC(F)(F)c1cccc(-c2ccc(CN3CCOCC3)o2)c1 541925947 MJOWOLVAJPJBLO-UHFFFAOYSA-N 311.303 3.798 0 40 DHAB Nc1c(Cl)c(F)cc(C(=O)NC2CCCCC2)c1Cl 585121349 MZOJVGJZQLVGQY-UHFFFAOYSA-N 305.180 3.777 0 40 DHAB CC(C)[C@@H]1CN(C(=O)c2nccnc2Cl)c2ccccc21 585129384 HXLPNRYOPLVKOC-LBPRGKRZSA-N 301.777 3.530 0 40 DHAB Fc1cccc(F)c1CCCN1CCC(c2ncco2)CC1 585136927 YTMZJVUPOASTQT-UHFFFAOYSA-N 306.356 3.765 0 40 DHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccco1 675008407 WSDGAFMYRFKNNB-LLVKDONJSA-N 319.407 3.533 0 40 DHAB COc1cc(C(=O)Oc2c(C)cccc2C)cc(OC)c1OC 129579 RNPMTQIRNKVXCN-UHFFFAOYSA-N 316.353 3.548 0 40 DHAB CC(C)(C)CC(=O)Nc1ccc(I)cc1 337757 IOCFXZODCAASBW-UHFFFAOYSA-N 317.170 3.666 0 40 DHAB C[C@H]1CCc2sc3ncnc(-n4nnc5ccccc54)c3c2C1 547309 YMVUMKBUHVQZQA-JTQLQIEISA-N 321.409 3.550 0 40 DHAB COc1cccc([C@H]2Nc3ccccc3-c3cc(C)nn32)c1OC 817655 KSMQNCRMIJZCAK-IBGZPJMESA-N 321.380 3.848 0 40 DHAB C[C@@H]1CCc2sc3ncn4nc(-c5cccnc5)nc4c3c2C1 2202759 ROPXPNVEMQGFEO-SNVBAGLBSA-N 321.409 3.526 0 40 DHAB COc1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2265959 LJPBJUVSBQIEKJ-UHFFFAOYSA-N 317.213 3.643 0 40 DHAB CC1(C)c2ssc(=S)c2-c2cccc3c2N1C(=O)C3=O 2332761 DXWVXGZHLJSGQE-UHFFFAOYSA-N 319.432 3.984 0 40 DHAB O=C(Nc1cccc(F)c1)c1cnc(Cl)nc1C(F)(F)F 2570225 NZQMQQXQMKALHV-UHFFFAOYSA-N 319.645 3.540 0 40 DHAB Cc1c(-c2ccccc2)sc(N)c1C(=O)N1CCCCC1 2627803 NERRUASWXPQBFF-UHFFFAOYSA-N 300.427 3.932 0 40 DHAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccc(F)c1 4275897 VPWBJAYDTLPKJI-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB CSc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 4517684 OXJKJAWLPRPAMG-UHFFFAOYSA-N 317.395 3.772 0 40 DHAB COc1cc(NC(=O)c2cc(C)cc(C)c2)cc(OC)c1OC 5577503 ZZUBYQBAXZEINS-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 6824441 UOOMWHUDSFEZAL-VIFPVBQESA-N 308.230 3.557 0 40 DHAB COC(=O)c1ccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@H]23)cc1 6950469 IRYOXXMCALRABQ-NJAFHUGGSA-N 309.365 3.718 0 40 DHAB O=C1c2ccccc2N[C@H](c2ccccc2)N1CC(F)(F)F 7113192 PZQDJPAVJWBCIT-AWEZNQCLSA-N 306.287 3.815 0 40 DHAB COc1ccc(SCC(=O)NCc2ccc(Cl)cc2)cc1 7275975 DFDMZAFWQJDXRY-UHFFFAOYSA-N 321.829 3.757 0 40 DHAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@H](C)c1ccccc1 7494368 NBHUUVKGXGPVBE-MRXNPFEDSA-N 308.425 3.625 0 40 DHAB CC(=O)c1cccc(NC(=O)Cc2ccc(OC(F)F)cc2)c1 8718812 MFUMAVRVXPAYCU-UHFFFAOYSA-N 319.307 3.672 0 40 DHAB Cc1oc(-c2ccccc2)nc1C(=O)NOCc1ccccc1 8735401 FWCDIQRHTYKFFW-UHFFFAOYSA-N 308.337 3.512 0 40 DHAB Cc1cc(S[C@H](C)C(=O)Nc2ccccc2Cl)nc(C)n1 12017007 SKPQJMUCRZBYCW-SNVBAGLBSA-N 321.833 3.866 0 40 DHAB COC(=O)c1cc(C2CC2)nc2onc(-c3ccc(C)cc3)c12 12397164 BENWFDBLTGDKMO-UHFFFAOYSA-N 308.337 3.862 0 40 DHAB O=C(NC1CC1)[C@@H](Nc1ccc(F)c(Cl)c1)c1ccccc1 13000507 LWQZEVKSYNTODJ-INIZCTEOSA-N 318.779 3.911 0 40 DHAB CC1=C[C@@H]2N(C=C1)C(c1ccccc1)=NON2c1cc(C)ccn1 13213506 YASOQPWYLKAOBO-GOSISDBHSA-N 318.380 3.605 0 40 DHAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(OC)c2)cc1 13932640 OOPYZOBQCQZAQA-GFCCVEGCSA-N 316.426 3.751 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1C 13939385 PEJBDZFSFBWAPC-BDJLRTHQSA-N 309.475 3.777 0 40 DHAB COc1c(F)c(F)c(C(=O)Nc2ccc(C)cc2)c(F)c1F 14258133 WYONNXJAZPMBRT-UHFFFAOYSA-N 313.250 3.812 0 40 DHAB CCCCOc1cccc(C(=O)NCc2csc(C)n2)c1 15832258 NKWYZUBPTOBLOF-UHFFFAOYSA-N 304.415 3.560 0 40 DHAB CCN(C(=S)NCCc1ccc(OC)cc1)C1CCCCC1 16237620 ULUYBCKLKLEEIA-UHFFFAOYSA-N 320.502 3.767 0 40 DHAB CCc1ccc(NC(=O)CNc2ccc(F)c(F)c2F)cc1 19773344 DAJKDIFEXUJNOE-UHFFFAOYSA-N 308.303 3.717 0 40 DHAB CCN(CC)Cc1ccc(CNC(=O)c2sccc2C)cc1 21638262 IGNPCPVRXLMPGO-UHFFFAOYSA-N 316.470 3.828 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)n1 22088241 NMHJEMULVWDAJX-VXGBXAGGSA-N 306.456 3.810 0 40 DHAB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 23163018 XJJCCXHPNYMGDQ-GHRIWEEISA-N 316.360 3.553 0 40 DHAB Cc1cc(CN(C)C(=O)c2cc3c(s2)CCCCC3)no1 25137058 JLWVNXFUGAYIFZ-UHFFFAOYSA-N 304.415 3.586 0 40 DHAB C[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccncc1 26187767 GDWWBSVFYPZFRT-NSHDSACASA-N 323.318 3.661 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCCC2)o1 27984580 JBHNIHUHOAATOW-GOSISDBHSA-N 324.424 3.683 0 40 DHAB Cc1ccc(-c2nc(CN3C[C@@H](C)O[C@H](C)C3)co2)c(C)c1 29922409 WLOOTNVQZMCAGS-HUUCEWRRSA-N 300.402 3.568 0 40 DHAB C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc(C(F)(F)F)cc1 30477335 MRNNHBLXMWDKTE-OXFRDRNISA-N 320.314 3.991 0 40 DHAB c1ccc2c(CNCc3ccc4c(c3)OCCO4)cccc2c1 32735850 RTDWHFDCXNNEEA-UHFFFAOYSA-N 305.377 3.901 0 40 DHAB CCc1noc(-c2ccccc2NC(=O)c2ccc(F)cc2)n1 33012698 WDWGYYKICSIMNY-UHFFFAOYSA-N 311.316 3.690 0 40 DHAB CCOc1ccccc1C(=O)NCCOc1cccc(C)c1C 41156572 RGWBJBALLIYLLN-UHFFFAOYSA-N 313.397 3.511 0 40 DHAB Cc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1C 44080804 ZOPXXJCTHNPBBT-AWEZNQCLSA-N 319.518 3.712 0 40 DHAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(F)c1 47375320 KZIVULZFMFZHBK-UHFFFAOYSA-N 315.348 3.608 0 40 DHAB C[C@H](Sc1ccc(O)cc1)C(=O)Nc1cc(F)ccc1F 47895260 MMHMLMMNMOHQFE-VIFPVBQESA-N 309.337 3.790 0 40 DHAB COc1ccc(NC(=O)N[C@H](C)c2ccccn2)cc1Cl 48342709 DEKZAOMNDDVHDK-SNVBAGLBSA-N 305.765 3.626 0 40 DHAB CCCOc1ccc([C@H](C)NC(=O)c2ccco2)cc1OC 48366750 ROESUNXPDSTBJB-LBPRGKRZSA-N 303.358 3.568 0 40 DHAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2cccc(O)c2)C1 49548301 QYGVEYWQSYLVOJ-MRXNPFEDSA-N 319.364 3.761 0 40 DHAB CCSc1ccccc1NC(=O)COc1ccc(F)cc1 55704067 JLVJUSSZUXUEMG-UHFFFAOYSA-N 305.374 3.955 0 40 DHAB CCCNC(=O)c1ccc(Cl)cc1NCc1c(C)noc1C 55877915 CREYZWDPMCLMHS-UHFFFAOYSA-N 321.808 3.697 0 40 DHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(C)cn1 58227729 AMTWFYFNXYKISU-WMZOPIPTSA-N 309.413 3.583 0 40 DHAB Cc1cccc(-c2noc(CN3CCC[C@@H]3c3ccc[nH]3)n2)c1 58341253 CFMVLOPCRXCFIY-MRXNPFEDSA-N 308.385 3.710 0 40 DHAB CCN(C(=O)Nc1cccc(CN(C)C(C)=O)c1)[C@H](C)C(C)C 65408260 RLMRANWNZVMVIN-CQSZACIVSA-N 319.449 3.563 0 40 DHAB Cc1nnc(CN(Cc2ccccc2Cl)C2CCCC2)o1 69464851 YTHSWORVSHUMQV-UHFFFAOYSA-N 305.809 3.976 0 40 DHAB CCc1ccc([C@@H](C)NS(=O)(=O)CC2CCCCC2)cc1 72230392 DEGRVLOTPCJTIM-CQSZACIVSA-N 309.475 3.810 0 40 DHAB Cc1csc([C@@H]2CCCCN2C(=O)c2ncoc2C(C)C)n1 72275556 ZAFVQFRMBQTACP-LBPRGKRZSA-N 319.430 3.930 0 40 DHAB CC(=O)Nc1cccc(NC(=O)Nc2ccc(F)cc2C)c1 72282510 CXBAWEZALPLJPK-UHFFFAOYSA-N 301.321 3.737 0 40 DHAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC[C@@H]1c1nccs1 72285931 WPSPELQKKCGEFZ-KFWWJZLASA-N 322.474 3.792 0 40 DHAB CN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358371 AIOIUVPPLNEVHV-CYBMUJFWSA-N 321.346 3.972 0 40 DHAB CCO[C@H]1C[C@H](NC(=O)c2cccc3cnccc23)C12CCCC2 73139480 SLCHBBXMDSZWQL-ROUUACIJSA-N 324.424 3.702 0 40 DHAB O=C1C[C@@H](c2nc(C3CCCC3)no2)CN1C1CCCCCC1 89818883 AMCBUSRZEDNKMJ-CQSZACIVSA-N 317.433 3.766 0 40 DHAB CC(C)(C)O[C@@H](C(=O)N1CCc2cnccc21)c1ccccc1 97084711 NMSBASBILAHOFS-QGZVFWFLSA-N 310.397 3.527 0 40 DHAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)[C@H]1C[C@H]2CC[C@H]1C2 102837887 JDICAAHWQVLZSF-XWLWVQCSSA-N 319.879 3.505 0 40 DHAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccccc1 113968793 ZBAUHFMQQZLUDW-KRWDZBQOSA-N 313.397 3.559 0 40 DHAB CCn1c(Cl)nc2cc(C(=O)NCc3ccccc3)ccc21 222540680 CHJKSYARFQKJCK-UHFFFAOYSA-N 313.788 3.640 0 40 DHAB CCOC(=O)c1cc(NC(=O)Cc2cccs2)ccc1Cl 223281206 ZJPSUBUTDZDXDO-UHFFFAOYSA-N 323.801 3.759 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccccc1 224448329 MMQIKCFIGVFCLI-RDTXWAMCSA-N 315.388 3.903 0 40 DHAB Cc1cc(NC(=O)CC(C)C)ccc1-c1ccc(C(=O)O)o1 226352671 USFLNAFAZDJTHX-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB O[C@@]12O[C@@]34CCCC[C@@H]3C[C@@]13CC[C@H]2C[C@@H]1CCCC[C@]13O4 247716944 NYWUQKFITQFOEY-IGYHUTEBSA-N 304.430 3.741 0 40 DHAB biogenic CCOc1ccc(CN2[C@H]3CC[C@H]2c2cccnc2C3)cc1OC 247902345 QZUAMOFHHXXURY-YJBOKZPZSA-N 324.424 3.751 0 40 DHAB CCN1CCC[C@H](CNC(=O)c2ccc(C3CCCC3)cc2)C1 576674575 WDBKZBIGNHCVOV-MRXNPFEDSA-N 314.473 3.806 0 40 DHAB COc1cccc([C@@H]2CCCN2Cc2cc(C)c(C(=O)O)o2)c1 577736969 DBDLDQJUNXCIRQ-INIZCTEOSA-N 315.369 3.632 0 40 DHAB Cc1cnc(NCC2(c3ccc(Cl)cc3)CC2)nc1N(C)C 1529104333 OANZOBPJGKCIKD-UHFFFAOYSA-N 316.836 3.648 0 40 DHAB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(Cl)c1 55436 FTPVDACFDMKJSZ-NTEUORMPSA-N 301.704 3.824 0 40 DHAB CC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 263515 ZVTHYWYCRFAOHS-UHFFFAOYSA-N 318.170 3.904 0 40 DHAB COc1cc2sc(NC(=O)c3cccnc3)nc2cc1Cl 557525 LTSVDCAZXIEAEB-UHFFFAOYSA-N 319.773 3.606 0 40 DHAB O=C1Nc2ccccc2/C1=C/c1ccc(Br)cc1 574906 INAOSTJXLBNFMV-LCYFTJDESA-N 300.155 3.942 0 40 DHAB COC(=O)c1sccc1OCc1cc(-c2ccccc2)on1 1398585 GLGDKKVTSNSPCB-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB Cc1ccccc1NC(=O)CCc1nc(-c2ccccc2)no1 2395326 BDCCSGINRUFYSL-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB CC1CCN(CCCNc2nc(=S)[nH]c3ccccc23)CC1 2932963 AJCJJROUAJUCIS-UHFFFAOYSA-N 316.474 3.826 0 40 DHAB Cc1cc(C)cc(NC(=O)c2nnn(-c3ccccc3F)c2C)c1 4313379 ARBCPQLWUQUBNB-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB COc1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1 4355235 LLZHUFMZPUHQFD-UHFFFAOYSA-N 318.336 3.616 0 40 DHAB Cc1ccc(C(=O)OCc2cc3ccc(C)cc3[nH]c2=O)cc1 5163334 DJSNWPKXQSTZSE-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccs1 5441645 WMAHDYXXIVRNTR-UHFFFAOYSA-N 300.383 3.517 0 40 DHAB CCOc1ccc(CN(C)C(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 6335701 YGMORZHJFDBGKQ-UXLLHSPISA-N 318.486 3.580 0 40 DHAB CN(Cc1cccs1)S(=O)(=O)c1ccc2ccccc2c1 7216730 XKPYAXOFZSBOCG-UHFFFAOYSA-N 317.435 3.722 0 40 DHAB COc1cccc(NC(=O)CN(C)c2ccc3ccccc3c2)c1 7494078 MYSIQPWBBMEOHT-UHFFFAOYSA-N 320.392 3.923 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@H](c2ccccc2)C(C)C)c1 7924319 IBGPGGXWBDFBFK-SFHVURJKSA-N 313.397 3.831 0 40 DHAB Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2C)CC1=O 8845061 JRWLJXXSRIVCKJ-OAHLLOKOSA-N 319.408 3.711 0 40 DHAB COc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)c(OC)c1 8982069 UKTPPNIORAMZCA-UHFFFAOYSA-N 320.414 3.812 0 40 DHAB Fc1ccc(-c2nnc3n2N=C(c2cccs2)CS3)cc1 9289610 MDQYHQZCZXUCDV-UHFFFAOYSA-N 316.386 3.504 0 40 DHAB CC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 10023686 NHFGHXAIBZFBSW-GFCCVEGCSA-N 314.360 3.617 0 40 DHAB O=C(Cc1ccc2c(c1)CCCC2)N[C@H]1CCOc2ccccc21 12926320 ISUFBWXFBYVFRV-IBGZPJMESA-N 321.420 3.748 0 40 DHAB CCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1 14831706 FZAHMLRAQSEQJD-UHFFFAOYSA-N 312.369 3.686 0 40 DHAB Cc1cc2ccccc2n1CC(=O)NCc1ccccc1Cl 15425616 WIQRGNMVXANQML-UHFFFAOYSA-N 312.800 3.920 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 15471920 MLBZJEUMLXZQNE-GFCCVEGCSA-N 303.789 3.769 0 40 DHAB FC(F)(F)c1cc(C2CCNCC2)nc(-c2ccsc2)n1 19406737 TWNZQDQCQMCZGB-UHFFFAOYSA-N 313.348 3.691 0 40 DHAB CN(C)c1ncc(CN2CCCC[C@@H]2CCc2ccccc2)cn1 19585525 XLYXVIUTSXOFJR-LJQANCHMSA-N 324.472 3.530 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1C 20138748 XOQXXWORFSGGHX-UHFFFAOYSA-N 303.745 3.907 0 40 DHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(F)cc1Cl 22389427 XENPGMYOLZPIJW-UHFFFAOYSA-N 319.767 3.727 0 40 DHAB COc1ccc(CC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 23151894 PDNFYJZOQPMUPG-LJQANCHMSA-N 309.409 3.774 0 40 DHAB O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)C1CCC1 24840114 USJSRMZXHIHIQU-UHFFFAOYSA-N 308.353 3.751 0 40 DHAB Cc1ccc(-c2nsc(NC(=O)c3ccc(F)cc3)n2)cc1 27584712 PKLKHRIROFCCMV-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cccn2)cc1 28244299 OHMYVBITHPKTLQ-UHFFFAOYSA-N 316.364 3.535 0 40 DHAB CCn1nc(C)c(NC(=O)c2cc3sccc3n2CC)c1C 40786535 UNOWIQXOUWXONE-UHFFFAOYSA-N 316.430 3.808 0 40 DHAB O=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1C(F)(F)F 43879093 SJYYLUUYOGRNAZ-VHSXEESVSA-N 300.276 3.779 0 40 DHAB CCOc1ncccc1NC(=O)Nc1c(C)nn(C(C)C)c1C 47543137 AZJOUATXSYAKLQ-UHFFFAOYSA-N 317.393 3.519 0 40 DHAB Cc1ccc(OCc2nnc(SCc3cc(C)on3)o2)cc1 48314759 UMJRNXHADOVJHV-UHFFFAOYSA-N 317.370 3.546 0 40 DHAB CCCc1sc(C(=O)Nc2ccccc2C(N)=O)cc1CC 48333174 PCJKWUJBEDMHMG-UHFFFAOYSA-N 316.426 3.614 0 40 DHAB Cc1ccccc1C1(CNC(=O)C[C@H]2C=CCC2)CCOCC1 55760813 LFGCFXBLFXCGFF-KRWDZBQOSA-N 313.441 3.516 0 40 DHAB C[C@H](SC[C@@H](O)c1ccccc1)C(=O)Nc1cccc(F)c1 58342117 STWGFTSTDPDYIK-BLLLJJGKSA-N 319.401 3.620 0 40 DHAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2ccccc2Cl)no1 58342484 MHIAOQPVCBNPLE-UHFFFAOYSA-N 321.808 3.686 0 40 DHAB CC(C)(C)c1noc(COC(=O)c2sccc2C2CC2)n1 63974208 USVOEUCYRQTJDG-UHFFFAOYSA-N 306.387 3.663 0 40 DHAB Cc1cnn(C[C@H](C)NCc2csc(-c3cccs3)n2)c1 69459488 WUYFCPIQVQWDED-LBPRGKRZSA-N 318.471 3.555 0 40 DHAB O=C(Nc1n[nH]c(-c2ccoc2)n1)c1ccc(Cl)cc1Cl 69653557 UARDFEJGPMGSKR-UHFFFAOYSA-N 323.139 3.624 0 40 DHAB COCCc1noc(COc2ccc(Cl)c3ccccc23)n1 69698780 ZJEXBQSHMDETEJ-UHFFFAOYSA-N 318.760 3.644 0 40 DHAB Cc1ccc2c(c1C)OC[C@@H]2NCc1ccc(N2CCCC2)nc1 95412234 BDAZJIGDUJILSX-SFHVURJKSA-N 323.440 3.522 0 40 DHAB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNc1ccccc1 95471460 YAKLTTMTHUPYTK-PDGQHHTCSA-N 320.396 3.527 0 40 DHAB CCC1=NO[C@H](CN2CCC(Oc3ccc(C)c(C)c3)CC2)C1 95977349 LSHQQKJICJYOKE-IBGZPJMESA-N 316.445 3.702 0 40 DHAB CSc1cccc(NC2CCN(Cc3cccnc3)CC2)c1 95990469 SSKOSMBFSJFXFA-UHFFFAOYSA-N 313.470 3.880 0 40 DHAB CCSc1ccccc1C(=O)NC[C@H](OC)c1ccsc1 96097393 FZNPPUILEXJGDV-AWEZNQCLSA-N 321.467 3.978 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213932 SCHKXYRFWOUKFL-QFIAKTPHSA-N 323.521 3.842 0 40 DHAB CC(=O)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 107323540 QJGMSJQMTNSQOO-SXGZJXTBSA-N 310.441 3.747 0 40 DHAB Cc1cnn(Cc2ccc(NC3CCN(C(C)C)CC3)cc2)c1 195557900 NAYCLPAWYVRTHH-UHFFFAOYSA-N 312.461 3.525 0 40 DHAB CN1C[C@H]2c3cc(O)ccc3Oc3ccc(Cl)cc3[C@@H]2C1 198366758 YEXNSFLUYFPHAT-GJZGRUSLSA-N 301.773 3.964 0 40 DHAB in-vitro Cc1cc(N)cc2nc(CCc3nc4cc(N)cc(C)c4o3)oc12 216740808 LITCUUNHOFNSML-UHFFFAOYSA-N 322.368 3.535 0 40 DHAB Cc1cccc(CNC(=O)COc2ccccc2C(C)(C)C)c1 222798056 DWGQIGHCEQRFRH-UHFFFAOYSA-N 311.425 3.988 0 40 DHAB Cc1ccc(OCCNC(=O)CSc2ccccc2)cc1C 223387920 USJNKRVUSKPKIC-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCCC1 223728682 HKXYZFPGSNVPFQ-SFHVURJKSA-N 301.430 3.735 0 40 DHAB CSc1ccc(S(=O)(=O)N(C)c2ccccc2C)cc1 224971097 QTZBLKZDDVYCIX-UHFFFAOYSA-N 307.440 3.542 0 40 DHAB CC1(C)COc2ccc([C@H](O)c3ccc(F)cc3)cc2OC1 225356419 DSSMLVUCDAMPKE-QGZVFWFLSA-N 302.345 3.705 0 40 DHAB O=C(NCCSCc1ccco1)c1ccc2c(c1)CCCC2 225627369 ZVWLYRXKLGYVOH-UHFFFAOYSA-N 315.438 3.822 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 245228480 ZVIFKIHTQYLPRS-KCYAQADSSA-N 301.430 3.703 0 40 DHAB Cc1cncc([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1 257234707 GUTUSNUSIHYTKC-OAHLLOKOSA-N 315.442 3.947 0 40 DHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(F)c4)OCC[C@@]3(C2)[C@@H]1O 257315880 VDCDMIDIRAUODT-ZCDXYUPRSA-N 308.368 3.840 0 40 DHAB Cc1[nH]nc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 503241347 AGJNOLRWSWRYAN-UHFFFAOYSA-N 317.698 3.951 0 40 DHAB CCC1(c2ccccc2)CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C1 1556963797 FPOULPCKNBVZGT-QGZVFWFLSA-N 315.457 3.772 0 40 DHAB O=C(c1cccc(Br)c1)N1CCc2ccccc2C1 29879 LMDNXIVQWYQJKJ-UHFFFAOYSA-N 316.198 3.648 0 40 DHAB Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C)n2)c(C)c1 411668 YLFRFEWFJFFQNO-UHFFFAOYSA-N 315.442 3.750 0 40 DHAB O=C(Nc1nnc(-c2cccnc2)s1)c1cccc(Cl)c1 412246 TYTKCANSBJQFIP-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB Clc1ccc(-c2nnnn2Cc2cccc(Cl)c2)cc1 1405198 WMHROJNXSMTCJF-UHFFFAOYSA-N 305.168 3.695 0 40 DHAB COc1ccc2cc(C(=O)CCC[C@H](C)C(=O)O)ccc2c1 2044013 HORJVAYUHWCSGJ-LBPRGKRZSA-N 300.354 3.922 0 40 DHAB CC(C)[C@H](CCNC(=O)[C@H]1CCOC(C)(C)C1)c1ccco1 2150723 VLSUZWJTONYQIG-GJZGRUSLSA-N 307.434 3.731 0 40 DHAB biogenic Cc1cc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c(C)o1 2618677 SENIEPRTWDOIDF-UHFFFAOYSA-N 324.279 3.538 0 40 DHAB Cc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(F)c(F)c1 3328457 GPNIQYJBWUZLFE-NSHDSACASA-N 310.369 3.988 0 40 DHAB COc1ccccc1NC(=O)c1cnc(C(C)(C)C)c(Cl)n1 3851960 QCWYFUWDXYMKFW-UHFFFAOYSA-N 319.792 3.688 0 40 DHAB biogenic COc1cccc(-c2nn3c(-c4cccs4)nnc3s2)c1 4511848 PNAPEMAREIYPRI-UHFFFAOYSA-N 314.395 3.590 0 40 DHAB CC(C)(CC(=O)O)CC(=O)Nc1cccc(C(F)(F)F)c1 4689776 HFYTZMDMZSJWAF-UHFFFAOYSA-N 303.280 3.535 0 40 DHAB O=C(O)C1=C(C(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 4898508 JGIMGKZGGFZUDR-UHFFFAOYSA-N 313.275 3.599 0 40 DHAB O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccc(Cl)cc1 5399606 VOARHEMOHUAZSY-UHFFFAOYSA-N 314.747 3.751 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCCc2ccccc21 5442842 PTJIUEYPNRYUGO-ACJLOTCBSA-N 313.372 3.787 0 40 DHAB COc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1 6249823 QIFJDZXDCHSPDC-UHFFFAOYSA-N 324.302 3.765 0 40 DHAB Cc1ccc(-n2c(C)nnc2SCc2cscn2)cc1 6585123 RMPAOMIMECIKMN-UHFFFAOYSA-N 302.428 3.633 0 40 DHAB Cc1ccc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 7759971 SFPZNDKZIJMIIR-UHFFFAOYSA-N 321.380 3.626 0 40 DHAB Cc1nnc(NC(=O)c2sc(-c3ccccc3)nc2C)s1 7996089 VXQDQUHNWHMWNF-UHFFFAOYSA-N 316.411 3.531 0 40 DHAB CC(C)[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 8002830 BOCZOUPLVKMVDZ-SFHVURJKSA-N 318.367 3.890 0 40 DHAB O=C(CCc1cccs1)NCCCn1ccc2ccccc21 8395088 FDDUEGXCDDZXKD-UHFFFAOYSA-N 312.438 3.842 0 40 DHAB CC(C)CN1C(=O)CCc2cc(NC(=O)C3CCCC3)ccc21 9137557 WOQFRQXSAZJJNI-UHFFFAOYSA-N 314.429 3.751 0 40 DHAB COc1ccc(C(=O)CSC(=S)N2CCC(C)CC2)cc1 9614781 LSNAHOVOQHALMG-UHFFFAOYSA-N 323.483 3.628 0 40 DHAB C[C@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccn1 9616536 AOCXNHBFAJQEFE-AWEZNQCLSA-N 312.388 3.910 0 40 DHAB COc1c2[nH]c(=O)cc(C(F)(F)F)c2cc2c(C)c(C)[nH]c12 9692009 XHPUXWSRZGTSQB-UHFFFAOYSA-N 310.275 3.654 0 40 DHAB CC(=O)c1cccc(NC(=O)CCOc2cc(C)cc(C)c2)c1 11637504 FKZIZTIIMJIVLE-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB COc1ccc(OCCC(=O)Nc2ccc(C)c(F)c2)cc1 12798717 DHSKDFBFXWUBEL-UHFFFAOYSA-N 303.333 3.550 0 40 DHAB Cc1cnc(NC(=O)c2occc2COc2ccccc2)s1 12817234 NDYVVJVUDSDUQH-UHFFFAOYSA-N 314.366 3.876 0 40 DHAB O=P(O)(O)C1(NC[C@H]2CCCc3ccccc32)CCCCC1 12997484 QSZQQARKYYRCCS-OAHLLOKOSA-N 323.373 3.534 0 40 DHAB Cc1ccc(C)c(NCC(=O)NCc2ccc(Cl)cc2)c1 15084762 WLMZAXDWVIOQGZ-UHFFFAOYSA-N 302.805 3.685 0 40 DHAB CC(C)CCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 16939718 UFAUDKDJIHIVTN-UHFFFAOYSA-N 315.442 3.787 0 40 DHAB S=c1[nH]nc(CSCc2ccccc2)n1C[C@H]1CCCO1 17055878 IXDPGTBHVWQSAX-CYBMUJFWSA-N 321.471 3.553 0 40 DHAB CCOc1cccc(NC[C@@H](C)Oc2ccc(OC)cc2)c1 19738387 AJYKVTZFCSHJJR-CQSZACIVSA-N 301.386 3.973 0 40 DHAB Cc1ccc(NC(=O)Cc2csc3nc(C)cn23)c(Cl)c1 24971954 AJTCBPLPWQFYRE-UHFFFAOYSA-N 319.817 3.847 0 40 DHAB Cc1cc(C)c(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)c(C)c1 26781062 XSNHSRSRUZLJLL-FGTMMUONSA-N 305.462 3.614 0 40 DHAB COc1ccc([C@H](NCc2ccc3c(c2)OCO3)C(C)C)cc1 32124098 UDAWBYPLNRJPMH-LJQANCHMSA-N 313.397 3.911 0 40 DHAB biogenic COc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F 32907733 KOCMYDRBEGAQPC-MNOVXSKESA-N 319.298 3.685 0 40 DHAB COC(=O)c1cc(C(C)(C)C)c(C(=O)OC)cc1C(C)(C)C 36470122 SWPFPHTWTZSZPA-UHFFFAOYSA-N 306.402 3.855 0 40 DHAB COc1ccc(OC)c([C@H](O)c2cccc(Br)c2)c1 40244812 ODLHHCLUYDGBHN-OAHLLOKOSA-N 323.186 3.548 0 40 DHAB CCCc1noc([C@@H]2CCCCN2C(=O)NC2CCCCC2)n1 41122778 OXJDDJYCGGTNHR-AWEZNQCLSA-N 320.437 3.591 0 40 DHAB CCNC(=O)Nc1nc(-c2nc3ccccc3s2)cs1 42381155 GZHZPHNSRKGSTH-UHFFFAOYSA-N 304.400 3.561 0 40 DHAB O=C(Nc1nncs1)N1CCC[C@@H]1c1ccccc1Cl 44973394 CHASQDNSGUKHRG-LLVKDONJSA-N 308.794 3.561 0 40 DHAB COc1ccc2c(C=O)c(C(=O)O)n(Cc3ccc(C)cc3)c2c1 45795943 CTNYRULDKICVLE-UHFFFAOYSA-N 323.348 3.517 0 40 DHAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2noc(C(C)(C)C)n2)o1 48302901 FVOMCYOBYSTLAV-WCQYABFASA-N 303.406 3.716 0 40 DHAB O=C(Nc1cccc(CNCc2cccnc2)c1)C1CCCC1 48781324 XRXCVAMWBCIILR-UHFFFAOYSA-N 309.413 3.500 0 40 DHAB COc1ccc(NC(=O)c2cscn2)cc1OC1CCCC1 63475465 ZNCHVVJZBRIQGS-UHFFFAOYSA-N 318.398 3.725 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC1CCCC1 64089134 LNMBUFTVAARALU-UHFFFAOYSA-N 312.413 3.841 0 40 DHAB COc1cccc(CCCNC(=O)Cc2ccc(Cl)cc2)c1 66436335 TVFGONDSPLYDTB-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB Oc1ccccc1-c1nc(-c2cc(Br)cs2)no1 71306173 MNKUCZDZXYZEMQ-UHFFFAOYSA-N 323.171 3.933 0 40 DHAB Cc1ccc(-c2snnc2C(=O)NC2CCCCC2)cc1 72240026 IFBHOTDHIVUFAV-UHFFFAOYSA-N 301.415 3.576 0 40 DHAB CCN(C(=O)c1ccnc(C)n1)[C@H](Cc1ccc(C)cc1)C1CC1 75147844 NLHAKTMVXHFBPN-LJQANCHMSA-N 323.440 3.577 0 40 DHAB Cc1cc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)on1 75161592 HRSARFIBMRFJSJ-UHFFFAOYSA-N 314.172 3.654 0 40 DHAB Cc1cc(CNCc2ccccc2Cn2ccnc2)ccc1F 78552308 QQHVQWSGXBQWJR-UHFFFAOYSA-N 309.388 3.669 0 40 DHAB CCC(CC)(CC)NC(=O)Nc1cccc(C[S@](C)=O)c1C 78937646 JDRSVDOQKXGYRZ-JOCHJYFZSA-N 324.490 3.964 0 40 DHAB Cc1cc([C@@H](C)NC(=O)c2cnn(Cc3ccccc3)c2)c(C)o1 84081663 NIDWMTXZOGDOSJ-CQSZACIVSA-N 323.396 3.632 0 40 DHAB COc1ccc(CCCC(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1F 84552619 LDGOMIWNQWPFTE-IYBDPMFKSA-N 317.404 3.582 0 40 DHAB C[C@H](N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1cnccn1 90602924 HPDNWOPSOCAKNI-IEZWGBDMSA-N 311.429 3.655 0 40 DHAB C[C@@H](NC1CCC(O)CC1)c1ccc(SC(F)F)cc1 90800401 LZSKEKFQHXSDSE-QFWMXSHPSA-N 301.402 3.955 0 40 DHAB CC(=O)Nc1ccc(CNc2ccc(C)cc2CN(C)C)cc1 95429107 JOAASKSRRLQUOW-UHFFFAOYSA-N 311.429 3.627 0 40 DHAB Cc1ncsc1CNc1ccccc1N1C[C@H](C)O[C@@H](C)C1 95448629 DSPZKZWXIBFSFV-STQMWFEESA-N 317.458 3.677 0 40 DHAB CCc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 95916921 PWQGKEKWCOITFO-UHFFFAOYSA-N 300.354 3.506 0 40 DHAB NC(=O)Nc1cccc2c1CCCN2Cc1ccccc1Cl 95973197 QHFIDPWHJPIPJJ-UHFFFAOYSA-N 315.804 3.783 0 40 DHAB Cc1ncoc1C(=O)Oc1ccc(Sc2ccncc2)cc1 96447897 SYEMHPKIWDZIRB-UHFFFAOYSA-N 312.350 3.748 0 40 DHAB CC(=O)N1CCc2cc(N[C@@H](C)Cc3ccsc3)ccc21 97037137 ZJUPADLJPOVYDM-LBPRGKRZSA-N 300.427 3.700 0 40 DHAB C[C@H]1CN(C(=O)Nc2cccc3c2OCCO3)[C@H]1c1ccccc1 97099312 YCHPTXZRSRHHBY-SUMWQHHRSA-N 324.380 3.683 0 40 DHAB c1ccc2ncc(NC3CCN(Cc4ccncc4)CC3)cc2c1 97140627 IKKIREHFSKCKFA-UHFFFAOYSA-N 318.424 3.706 0 40 DHAB C[C@@H]1C2=C([C@@H]3CC[C@@H]2C3)[C@H](C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 104295454 BVKOIAAHCMACRW-VCKMKGKSSA-N 321.420 3.805 0 40 DHAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)[C@@H]2COc3ccccc32)c1 107536244 DMQJDKSIQNETFL-FCLVOEFKSA-N 321.420 3.779 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C 170387710 YQKZEGUAPCNVOS-DZGCQCFKSA-N 316.445 3.618 0 40 DHAB O=C(NCC[C@H](CCO)c1ccccc1)c1cc2ccccc2o1 206625234 YTYHJGRRDPFZMZ-MRXNPFEDSA-N 323.392 3.719 0 40 DHAB Nc1nnc(-c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)o1 216837827 KDCTYCYJDIZICR-UHFFFAOYSA-N 312.716 3.780 0 40 DHAB CCc1ccc(O[C@H](CC)C(=O)N2CCc3ccccc3C2)cc1 222874142 IKRWVDSNCQSRID-HXUWFJFHSA-N 323.436 3.991 0 40 DHAB Cc1ccc(C)c(CC(=O)NCCOc2ccc(C)c(C)c2)c1 224392354 NRESBFIDHQQZFC-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(F)cc1F 225120624 WSIFNUVISNNFTL-UHFFFAOYSA-N 317.335 3.861 0 40 DHAB O=C(COc1ccccc1)N1CCS/C1=C/c1cccs1 225233009 OPNHPEPIPHFCBN-LFIBNONCSA-N 317.435 3.701 0 40 DHAB Cc1ccc2oc(=O)c(C(=O)NC3CCCCCCC3)cc2c1 226037711 OQAGMRLQIDGTPK-UHFFFAOYSA-N 313.397 3.944 0 40 DHAB COc1cc(N)cc(Cl)c1NC(=O)c1cc2ccccc2o1 227147469 PNANYGDVXQPBGU-UHFFFAOYSA-N 316.744 3.929 0 40 DHAB COc1c(C(=O)Nc2ccc(NC(C)=O)cc2)oc2ccccc12 252508043 XAYLMPIYUPFMLB-UHFFFAOYSA-N 324.336 3.652 0 40 DHAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)n1 257230989 GESRSBRIGNRDNY-KRWDZBQOSA-N 322.412 3.794 0 40 DHAB O=C(NC[C@H]1CC=CCC1)c1cc(-c2ccccc2Cl)[nH]n1 502893603 UQZHPTPQMNVSDM-LBPRGKRZSA-N 315.804 3.816 0 40 DHAB O=C(N[C@H]1C[C@H]1c1ccccc1F)c1cc2cc(F)ccc2[nH]1 584906718 BDEVKIDFPGPQJC-BBRMVZONSA-N 312.319 3.732 0 40 DHAB O=C(O)CCc1ccccc1C(=O)N1CCC2(CCCCC2)C1 585134359 PFGRBRNESOUXSU-UHFFFAOYSA-N 315.413 3.500 0 40 DHAB Brc1cnc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)nc1 1776001158 BMEIXAZPCGDHOE-KBPBESRZSA-N 320.234 3.851 0 40 DHAB Ic1ccccc1-c1nc2ccccc2[nH]1 408827 SLIRKFKVIUEFSZ-UHFFFAOYSA-N 320.133 3.835 0 40 DHAB Cc1ccn2c(NC[C@@H]3CCCO3)c(-c3ccccc3)nc2c1 417330 DKUZPZWXJHLFCI-INIZCTEOSA-N 307.397 3.901 0 40 DHAB O=C(O)c1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 489635 ZHYIVEQHFPBABZ-UHFFFAOYSA-N 300.697 3.812 0 40 DHAB Cc1ccc(C)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 567130 RXFNDAZKDGXEML-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB COC(=O)c1sccc1-c1ccc(COC(=O)C(C)(C)C)o1 1393441 HRFSUXSGVWGGFB-UHFFFAOYSA-N 322.382 3.884 0 40 DHAB O=S(=O)(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccccc1 1595684 LZUZNLKBDZYINO-IRXDYDNUSA-N 315.438 3.691 0 40 DHAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)O)[C@H]2c2cccs2)cc1 3888165 KIQDHOPFZJKODK-CJNGLKHVSA-N 315.394 3.625 0 40 DHAB COc1cc2nc(NC(=O)c3cccs3)sc2cc1OC 4479899 QLZQTQPGSDILFV-UHFFFAOYSA-N 320.395 3.627 0 40 DHAB Cc1cc(Nc2ccc(F)cc2F)nc(-n2nc(C)cc2C)n1 4942009 KQSSLSOFXBDQJH-UHFFFAOYSA-N 315.327 3.609 0 40 DHAB CC(C)Nc1ncnc2c1oc1ccc(Br)cc12 5272427 KVUCNQSUHRJHEK-UHFFFAOYSA-N 306.163 3.959 0 40 DHAB COc1cccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)c1 5400264 FIHYDDHAYYEVOI-UHFFFAOYSA-N 320.392 3.584 0 40 DHAB Cc1ccc(N2C(=O)c3cccc4cc(O)cc(c34)C2=O)cc1 5544425 WRLFRWBICJORNK-UHFFFAOYSA-N 303.317 3.654 0 40 DHAB COc1ccc(C(C)=O)cc1COC(=O)c1c[nH]c2ccccc12 6115016 IQLJHPQCRVQSFC-UHFFFAOYSA-N 323.348 3.736 0 40 DHAB CC(C)(CO)NCc1ccccc1OCc1ccccc1Cl 6883188 QAOGTFYXVTXHPF-UHFFFAOYSA-N 319.832 3.780 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2cc(C)ccc2C)cc1 7041949 CADKSTMIHFEIHP-CQSZACIVSA-N 310.397 3.945 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCc3ccccc32)c1C 7115154 CHYYIJIZLIXDLG-CQSZACIVSA-N 324.424 3.858 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)c1cnc2ccccc2n1 7213425 FOAHDWHJMOYGLW-UHFFFAOYSA-N 324.340 3.631 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CCc1c(C)noc1C 7401272 AGKNPRLJQQFZPU-UHFFFAOYSA-N 308.765 3.525 0 40 DHAB CSc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 7745745 WNWSLJOHZAQQLA-UHFFFAOYSA-N 307.440 3.826 0 40 DHAB COc1ccc(S[C@H](C)C(=O)NCCc2ccccc2)cc1 7935351 XKENWCVDNLGHKV-CQSZACIVSA-N 315.438 3.535 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1OC 8499515 XWGCTIGBUZMELP-CQSZACIVSA-N 303.333 3.630 0 40 DHAB c1ccc(Nc2nc(N3CCCCCC3)nc3nccnc23)cc1 9075174 XCKDWVSYRIPPQA-UHFFFAOYSA-N 320.400 3.544 0 40 DHAB COc1ccccc1N(C(=O)Nc1ccccc1)C1=NCCC1 10165948 FKVVTACCJNSEGO-UHFFFAOYSA-N 309.369 3.926 0 40 DHAB CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccncc2)cc1 12527576 UIJNKUNQKKRTRG-RUDMXATFSA-N 324.424 3.588 0 40 DHAB O=C(NCC1(c2ccccc2)CCCC1)c1ccc2[nH]cnc2c1 12547494 LHNOAVVBSRANQG-UHFFFAOYSA-N 319.408 3.805 0 40 DHAB CC(C)c1n[nH]c(S[C@H](C)C(=O)c2ccc(F)c(F)c2)n1 14112672 PTQQQOXJKZEDPC-MRVPVSSYSA-N 311.357 3.570 0 40 DHAB COc1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1OC 14235512 HIVSTOFMEWYVNO-ZDUSSCGKSA-N 317.410 3.743 0 40 DHAB COc1cccc(CNC(=O)c2cc(Cl)ccc2Cl)c1 16600612 JEHFALHNKUVNPR-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)OCCCO2 19598282 RZEJYVDZBIANQR-UHFFFAOYSA-N 301.317 3.548 0 40 DHAB CCOc1ccccc1CN(CCN(C)C)Cc1ccccc1 20029405 IMHVHEDHTJAIRW-UHFFFAOYSA-N 312.457 3.649 0 40 DHAB Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 20897314 LIPAOLLLXHMOMR-GFCCVEGCSA-N 316.426 3.594 0 40 DHAB CCC[C@@H](NC(=O)[C@H](C)Sc1nncs1)c1ccccc1 21334968 ITNNZWBKWGHTFY-WCQYABFASA-N 321.471 3.676 0 40 DHAB Cc1cc(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)on1 31382524 YQTIQARVNRDHGD-OAHLLOKOSA-N 320.392 3.933 0 40 DHAB Cc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12 32814506 SKNQFGOUIPZMNH-UHFFFAOYSA-N 317.436 3.962 0 40 DHAB Cc1cc(NC(=O)CC[C@H]2CCCO2)ccc1Br 32815808 MLNKTIVWYPVMTD-GFCCVEGCSA-N 312.207 3.655 0 40 DHAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)s1 32825806 DABQBWLSIMBCKK-QMMMGPOBSA-N 319.810 3.580 0 40 DHAB CC(C)CC[C@H](C)NC(=O)Cc1coc(-c2ccccc2)n1 32836515 YOMBNEFXJWXZES-AWEZNQCLSA-N 300.402 3.825 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(Cc3ccccc3)no2)cc1 32930931 GASIEGNRABFAHN-UHFFFAOYSA-N 321.380 3.540 0 40 DHAB CCCSc1nnc(-c2ccc(Cl)cc2)n1CCOC 33747990 ALJOBWASEAOEEJ-UHFFFAOYSA-N 311.838 3.747 0 40 DHAB C[C@H](NC(=O)c1ccccc1C(=O)O)c1ccccc1Cl 35135352 QQFRTXMPVBRLHM-JTQLQIEISA-N 303.745 3.529 0 40 DHAB CCN(C(=O)c1cc(C)nc2c1c(C)nn2CC)c1ccccc1 36615974 UQILGQJGHOFDRC-UHFFFAOYSA-N 322.412 3.735 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1 38772521 MBKSAAYGZPUIFL-CXAGYDPISA-N 301.361 3.861 0 40 DHAB O=C(NCc1ccco1)N[C@@H]1CCSc2ccc(Cl)cc21 40012748 FSEUREODQBTNBU-CYBMUJFWSA-N 322.817 3.969 0 40 DHAB Cc1cccc(C(=O)NCc2ccc(Br)cc2)c1 42418641 HTAWXVXOQOGAQQ-UHFFFAOYSA-N 304.187 3.688 0 40 DHAB CN(CCc1ccncc1)c1ncnc2sc3c(c12)CCCC3 58417673 NNPGYWZKRDXUIL-UHFFFAOYSA-N 324.453 3.644 0 40 DHAB CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)cc1 59472465 CHOCMQUPVDBAJX-UHFFFAOYSA-N 322.364 3.945 0 40 DHAB O=C(Nc1ccncc1)C1(c2ccc3c(c2)OCO3)CCCCC1 64221506 HOHYJQLJOZFWSK-UHFFFAOYSA-N 324.380 3.651 0 40 DHAB CC(C)(C)c1ncc(NC(=O)c2cc3c(s2)CCC3)cn1 64324646 XGMVCTGOXBBEAL-UHFFFAOYSA-N 301.415 3.577 0 40 DHAB CCOCCSc1nnc(Cc2c(F)cccc2Cl)o1 66257562 IRTILJMRFRFCTO-UHFFFAOYSA-N 316.785 3.582 0 40 DHAB COc1cccc(CCCNC(=O)Cc2cccc(Cl)c2)c1 67834928 LELAPOWSTGKLCW-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB CC[C@@H](C)N(C)C(=O)Nc1cccc(COCCOC(C)C)c1 68557833 WYBVWNQAZDAEIB-OAHLLOKOSA-N 322.449 3.890 0 40 DHAB CN[C@H](c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 72207706 GWMILPVYBHVPFQ-MRXNPFEDSA-N 304.434 3.594 0 40 DHAB CC[C@@H](OC1CCCC1)C(=O)N1CCCC[C@@H]1c1nccs1 72298583 HNKPXHLHLWJYSF-HUUCEWRRSA-N 322.474 3.935 0 40 DHAB Cn1ccc(NC(=O)N(CCC(F)(F)F)C2CCCCC2)n1 84717080 JUCWZRGAHGXRHR-UHFFFAOYSA-N 318.343 3.539 0 40 DHAB Cc1ncc(C[S@@](=O)[C@@H](C)c2ncc(C(C)(C)C)o2)s1 85225320 RGILLMGDOWZJGD-LXGOIASLSA-N 312.460 3.747 0 40 DHAB CC(C)C[C@@H](NCCc1cn2ccccc2n1)c1ccccn1 89821045 FLQIYKYCGCIGPD-GOSISDBHSA-N 308.429 3.649 0 40 DHAB CC(C)Oc1ccc(NCc2ccc([S@](C)=O)cc2)c(F)c1 95448772 HIBDRDSGUBZRDP-JOCHJYFZSA-N 321.417 3.962 0 40 DHAB Cc1ccc(C)c(OCCn2ccnc2[C@H](O)c2ccccc2)c1 95941613 SISUTILILLABQM-LJQANCHMSA-N 322.408 3.661 0 40 DHAB C[C@@H](CSc1nc(-c2ccco2)nc2ccccc12)N(C)C 95941664 BRFWIEIGQFFCET-LBPRGKRZSA-N 313.426 3.932 0 40 DHAB C/C(=C\C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)C1CC1 96189831 BTSQOCMAWMGEIS-OUKQBFOZSA-N 319.832 3.818 0 40 DHAB C[C@@H](NCc1nccn1CCc1ccccc1)c1ccccc1 96479145 YFYJNCWDOXHAJU-QGZVFWFLSA-N 305.425 3.977 0 40 DHAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c(C)c1 96659251 CIBZNRLNHNRVMD-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB C[C@H]1C[C@H](C)CN(C[C@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)C1 101213734 KLAVVVARGBVTEU-IHEFFSNCSA-N 323.521 3.557 0 40 DHAB Cc1ccc([C@H](c2ccccn2)N(C)C(=O)C2[C@H]3CCC[C@H]23)cc1 104216806 PAZSWPBPOWQZAX-ABSDTBQOSA-N 320.436 3.984 0 40 DHAB COc1ccc(C)cc1[C@H](C)N[C@@H]1CCO[C@@]2(CCSC2)C1 110704222 RIOQBTIZPOKOCI-DAYGRLMNSA-N 321.486 3.709 0 40 DHAB Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 170317871 MRNPYAGCTZTIKZ-UHFFFAOYSA-N 302.761 3.534 0 40 DHAB Cc1ccc(SCCNC(=S)Nc2cccc(C)n2)cc1 225287313 NLGDTYCEWHLBMX-UHFFFAOYSA-N 317.483 3.777 0 40 DHAB CC[C@@H]1CCCCN1CCCNC(=O)CCc1ccccc1F 225585132 VMODGJQYQBVJGB-QGZVFWFLSA-N 320.452 3.529 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(C)c(C)c1 225720633 UKICWSOYPQBRQV-SFHVURJKSA-N 302.462 3.688 0 40 DHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC)c2ncccc12 225904178 KIFJZDGUOWKKJM-GOSISDBHSA-N 316.401 3.777 0 40 DHAB O=C(O)c1ccc(Cc2ccccc2)n1Cc1ccc(F)cc1 226028017 LJOFNGHTNXWYJE-UHFFFAOYSA-N 309.340 3.965 0 40 DHAB CCN(C(=O)[C@H]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 252491458 LMXUXYXCQXIPQU-NEPJUHHUSA-N 315.335 3.873 0 40 DHAB CC(=O)N1CCC[C@@H](c2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)C1 252585416 IKWHFMCPSPVMJD-XQLPTFJDSA-N 304.459 3.773 0 40 DHAB C[C@@H]1CCCCN1C[C@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531636 JVWNDFSGDRHMEI-YFYQMDMQSA-N 323.521 3.843 0 40 DHAB N[C@@]12C[C@H]3C[C@@H](C1)C[C@@]([C@@]14C[C@@H]5C[C@@H](C[C@@](N)(C5)C1)C4)(C3)C2 263589862 SOKRCBPOBAYQBS-ZWVHIZDCSA-N 300.490 3.582 0 40 DHAB CC1(C)OCC[C@@H]1CNC(=O)NCc1cccc2ccsc12 661350198 VJULUNJTLHWPNK-CQSZACIVSA-N 318.442 3.516 0 40 DHAB C[C@H]1CCCN(c2ncnc3ccc(Br)cc23)C1 99147 GCUWWIJRHOSIAG-JTQLQIEISA-N 306.207 3.629 0 40 DHAB O=C(CSc1nnc(-c2cccs2)o1)OC1CCCCC1 421935 KMJJCFKJOLSBKI-UHFFFAOYSA-N 324.427 3.766 0 40 DHAB COc1cccc(-c2nnc3sc(-c4cccc(C)c4)nn23)c1 532249 ZZBUCHHCULUGJC-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB O=C(CSc1cccc2cccnc12)NCCc1ccccc1 3075272 JOKJTSYWXAGTPJ-UHFFFAOYSA-N 322.433 3.686 0 40 DHAB CCCNC(=O)NCCn1c2ccccc2c2c(C)cc(C)nc21 3765466 OPIRJVFNINFRMR-UHFFFAOYSA-N 324.428 3.516 0 40 DHAB COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C=C[C@@H]12 5004457 WWHOUZIYZYQBEU-NZSAHSFTSA-N 300.398 3.959 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 5439997 PTRNEFVNTQSNEU-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB CCCC[C@H](CC)C(=O)NCCc1ccc(OC)c(OC)c1 5467369 OAYGNGUTCQAGRF-HNNXBMFYSA-N 307.434 3.579 0 40 DHAB CCCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1 6323267 AGIHOEZTFVMERH-KAMYIIQDSA-N 305.399 3.922 0 40 DHAB Cc1ccc2[nH]c(S[C@H](C)C(=O)N3CCCCCC3)nc2c1 7061215 JBBYSWPZBSPVFE-CYBMUJFWSA-N 317.458 3.755 0 40 DHAB COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCC[C@H]1C 7984374 UZGYTWUPCGXNQM-QLFBSQMISA-N 304.434 3.581 0 40 DHAB Cc1nc(O)c(C(F)(F)F)c(SCc2ccccc2)n1 8606871 IBULEBAFHVVDFS-UHFFFAOYSA-N 300.305 3.802 0 40 DHAB CC(C)[C@H](NC(=O)Nn1cnc2ccccc21)c1ccccc1 10405685 JLVDEEFRPFTUEV-KRWDZBQOSA-N 308.385 3.687 0 40 DHAB Oc1ccccc1-c1nc2cnccn2c1NCc1ccccc1 12113754 LYMNIKRXVFDWGX-UHFFFAOYSA-N 316.364 3.714 0 40 DHAB CC(C)(C)C(=O)N1CCC(c2onc3c2CCCCC3)CC1 12219814 KYVPXTUACIFENC-UHFFFAOYSA-N 304.434 3.696 0 40 DHAB CC(C)c1nnc2n1N1C(=CS[C@H]1c1ccccc1)S2 12409075 OWBYCEKHPVYBST-ZDUSSCGKSA-N 302.428 3.690 0 40 DHAB c1coc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13735356 KBTRWPDQRFIPPN-UHFFFAOYSA-N 319.349 3.661 0 40 DHAB O=C(Nc1ccccc1)N1CCCC[C@H]1CCN1CCCC1 13735669 YRGKJYVHQXGBGK-KRWDZBQOSA-N 301.434 3.559 0 40 DHAB CC(C)(C)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 14218710 HAHNLZVLKXZQSL-UHFFFAOYSA-N 314.410 3.571 0 40 DHAB Cc1cc(C)c2nc(NC(=S)NC(=O)C(C)(C)C)sc2c1 14257672 HYHAFXPOWQCABC-UHFFFAOYSA-N 321.471 3.772 0 40 DHAB CN(CCOc1ccc(N)c(C(F)(F)F)c1)c1ccccc1 14630331 OWSLOVFOLSVYSZ-UHFFFAOYSA-N 310.319 3.803 0 40 DHAB Cc1ccc2nc(CNc3cccc(Cl)c3C)cc(=O)n2c1 15290584 VHLOYASIUXUQRK-UHFFFAOYSA-N 313.788 3.577 0 40 DHAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccccc1 20045168 CWQYRUDHXITVEJ-RDTXWAMCSA-N 313.397 3.730 0 40 DHAB Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1 20402829 KVEAGJGUIFYTMH-LBPRGKRZSA-N 303.431 3.816 0 40 DHAB O=C(NCCc1ccc(Br)s1)c1cccs1 22521610 JCEASUZFGNSGJB-UHFFFAOYSA-N 316.245 3.545 0 40 DHAB CCN(C(=O)CSc1nc2ccccc2[nH]1)C1=CCCCC1 24658868 IKVHWPSUKADFQA-UHFFFAOYSA-N 315.442 3.961 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(C)cc1 25368139 XFSZSWBIXQHOMT-KRWDZBQOSA-N 321.417 3.705 0 40 DHAB O=C(CCc1cccs1)Nc1ccccc1N1CCCC1 28008857 RBLRFHGNVFVJSZ-UHFFFAOYSA-N 300.427 3.920 0 40 DHAB Cc1nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2nc1C 28539702 SKKUXSVURADANW-UHFFFAOYSA-N 320.396 3.565 0 40 DHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccnc1S 30134667 VPKFWQLALXOWLK-UHFFFAOYSA-N 316.470 3.659 0 40 DHAB COc1cc(CNC(=O)C[C@@H]2C=CCC2)ccc1OCC(C)C 31290638 KHNMWSPKRBFJGV-OAHLLOKOSA-N 317.429 3.703 0 40 DHAB NC(=O)c1ccc(COc2ccc(Oc3ccccn3)cc2)cc1 32906715 RNBDMBJCOORSLD-UHFFFAOYSA-N 320.348 3.552 0 40 DHAB Cc1cc2occ(CC(=O)Nc3ccccn3)c2cc1Cl 39892875 DBLGGLCPUIBLMP-UHFFFAOYSA-N 300.745 3.971 0 40 DHAB CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1cccnc1 42649217 GQXJUTXWDUQALD-BQYQJAHWSA-N 304.752 3.546 0 40 DHAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(C(F)(F)F)cc1 43212671 ACXXYXKQBPWDEU-UHFFFAOYSA-N 322.282 3.982 0 40 DHAB COc1ccc(/C=C/C(=O)NCCSC2CCCC2)cc1 46450210 DMPHTPBNEYPHEG-DHZHZOJOSA-N 305.443 3.500 0 40 DHAB Cc1nc2ccccc2n1CCOC(=O)/C=C/c1ccccc1 56220562 OPTKVSVSAHQXMZ-VAWYXSNFSA-N 306.365 3.601 0 40 DHAB Cc1ccc(NC(=S)NCCCOC2CCCC2)cc1C 57815676 LVAPIAVLRNYUTM-UHFFFAOYSA-N 306.475 3.939 0 40 DHAB Cc1cc(NC(=O)Nc2cccc(COCC3CC3)c2)no1 58023088 MWRXSRKSMBNHHK-UHFFFAOYSA-N 301.346 3.554 0 40 DHAB CC(C)c1ccc(-c2nnc(-c3ccccc3N)nc2O)cc1 58047002 XTSYHRZTTBOTGF-UHFFFAOYSA-N 306.369 3.617 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2)c1 58160071 DTMCRDYHTUVPJB-KGLIPLIRSA-N 310.397 3.567 0 40 DHAB O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1ccc(F)c(Cl)c1 63849574 TYLZDWOXWZHOFB-LLVKDONJSA-N 318.735 3.544 0 40 DHAB COC[C@H](C)Nc1nc(C2CC2)nc2sc3c(c12)CCCC3 65564719 PGDNQIXFXCKDNB-JTQLQIEISA-N 317.458 3.894 0 40 DHAB CCN(CC)C(=O)NCc1sc(-c2ccccc2)nc1C 67471796 UUQZQIDKORFHLB-UHFFFAOYSA-N 303.431 3.670 0 40 DHAB CCc1nc2cc(N[C@H]3CCN(c4ccccc4)C3=O)ccc2o1 68948112 OIQFXANAUWXHNQ-HNNXBMFYSA-N 321.380 3.608 0 40 DHAB COCc1c(C(=O)N2CCCSCC2)sc2ccccc12 69518015 MDRIFYQCYDZWNF-UHFFFAOYSA-N 321.467 3.627 0 40 DHAB CC[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1nc(C)cs1 69843723 DMKJJKOBUKTAGA-GZMMTYOYSA-N 307.246 3.603 0 40 DHAB Cc1c([C@@H](C)NCc2cccc(O)c2)cnn1-c1ccccc1 69848773 OVIPCKJXWQEBBU-CQSZACIVSA-N 307.397 3.737 0 40 DHAB COc1ccc(CN[C@H]2CCc3c(F)cccc32)cc1OC 71837178 SYBGPPBJWOUDCB-INIZCTEOSA-N 301.361 3.620 0 40 DHAB CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1C[C@@H]1c1cccnc1 71884285 WLJSCOWBENDGHN-CABCVRRESA-N 318.779 3.636 0 40 DHAB CCN(C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72212714 WEMDHWZDKUMCAB-CQSZACIVSA-N 305.422 3.610 0 40 DHAB Cc1cccc2ncnc(Sc3nnc(C4CC4)n3C3CC3)c12 72307793 SVBXZRZUWZODOD-UHFFFAOYSA-N 323.425 3.893 0 40 DHAB Cc1cc(-n2cnnc2)cc2nc(Cc3ccc(Cl)cc3)oc12 73639405 SVHMVZXSROHLSW-UHFFFAOYSA-N 324.771 3.961 0 40 DHAB CC[C@@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1 79029635 YVILFDXRBRCRHL-HXUWFJFHSA-N 309.457 3.787 0 40 DHAB C[S@@](=O)Cc1cccc(NCc2csc(C(C)(C)C)n2)c1 95429177 ZABMIBXSBKDEAT-NRFANRHFSA-N 322.499 3.931 0 40 DHAB Cc1cnccc1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 95981988 IGCMWEVHSFYVAP-WDEREUQCSA-N 301.312 3.633 0 40 DHAB CCc1ccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 222342220 KMYQSMSZAJOVQP-PWRODBHTSA-N 310.485 3.579 0 40 DHAB COc1ccc(CCNC(=S)Nc2c(F)cccc2F)cc1 225315419 BYQKRAAQKRVQBG-UHFFFAOYSA-N 322.380 3.503 0 40 DHAB COc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225637998 PQDCRMFTKLHRPI-XIKOKIGWSA-N 305.418 3.846 0 40 DHAB Cc1cc(C(=O)NCc2ccnc(-c3ccsc3)c2)c(C)o1 225754208 LKZIGJFHSJAIDK-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB O=C1N[C@@H](c2ccccc2)C12CCN(CC1CCCCC1)CC2 1201397895 XHGPSEUDCKQPNU-SFHVURJKSA-N 312.457 3.520 0 40 DHAB CSc1ccc([C@@H](O)CNc2nc3ccccc3o2)cc1 1775970232 IOXZKEMHUKLHEO-AWEZNQCLSA-N 300.383 3.695 0 40 DHAB CCOC(=O)c1cc(=O)c2ccc(OCc3ccccc3)cc2o1 80822 PSQHTAURXSIPJF-UHFFFAOYSA-N 324.332 3.549 0 40 DHAB O=C1O/C(=C(/c2ccc(Cl)cc2)[N+](=O)[O-])c2ccccc21 295412 VWMJCWAZDPDLFF-YPKPFQOOSA-N 301.685 3.613 0 40 DHAB CC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 807287 WTYPEEJVHTVGMX-UHFFFAOYSA-N 306.365 3.791 0 40 DHAB aggregator CC1(C)Cc2ccccc2-c2nnc(SCc3ccncc3)n21 1368691 DPUHATQFPNBZLD-UHFFFAOYSA-N 322.437 3.924 0 40 DHAB O=C(Nc1ccccc1)O[C@H](CN1CCCCC1)C(F)(F)F 1392970 HNMYTUWOMJSUKU-CYBMUJFWSA-N 316.323 3.652 0 40 DHAB CCN(CC)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 1504807 KRVGKYLMHSQNQP-UHFFFAOYSA-N 307.397 3.540 0 40 DHAB Fc1c(F)c(-n2nnc3ccccc32)c(F)c(F)c1Cl 2272385 CYKGZOODWFCNDA-UHFFFAOYSA-N 301.630 3.630 0 40 DHAB CN(Cc1ccccc1)Cn1nc(-c2ccccc2)oc1=S 2630045 OFLPRFYISFRQSQ-UHFFFAOYSA-N 311.410 3.962 0 40 DHAB CCOC(=O)c1c2ccc(c1[C@H](O)OCC)CCCCCC2 3852395 WBEAYVNQKNIELW-QGZVFWFLSA-N 306.402 3.550 0 40 DHAB biogenic OC1=NC(=S)S/C1=C/c1ccc(Oc2cnccn2)cc1 4108333 NGYMWKJPYGZNMY-YRNVUSSQSA-N 315.379 3.598 0 40 DHAB CC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4404767 MZNDFNKEUVZWIE-UHFFFAOYSA-N 312.413 3.800 0 40 DHAB FC(F)(F)c1cccc(NC(=S)NCc2ccco2)c1 5580696 QZRJSRJXPLWMQL-UHFFFAOYSA-N 300.305 3.785 0 40 DHAB CCc1ccc2nc(NC(=O)Cc3c(C)noc3C)sc2c1 5937947 UKWKLIFRIDTRLR-UHFFFAOYSA-N 315.398 3.645 0 40 DHAB COc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cn1 6547646 PDAQXVRTKNEVKA-UHFFFAOYSA-N 322.817 3.865 0 40 DHAB Cc1cc2nnc(SCCc3ccncc3)n2c2ccccc12 7034807 FBXBSRRVUIEKOM-UHFFFAOYSA-N 320.421 3.921 0 40 DHAB CCCNCc1cccc(OC)c1OCc1ccccc1F 7262409 VEEQSVIIXSMXIU-UHFFFAOYSA-N 303.377 3.913 0 40 DHAB Cc1cc2nc(N(C)Cc3ccccc3F)c3ccccc3n2n1 7777109 RSJMEKBRPIXHPE-UHFFFAOYSA-N 320.371 3.966 0 40 DHAB CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886077 FYWCACUGQZJOGJ-SFHVURJKSA-N 308.381 3.814 0 40 DHAB COc1ccc(C)cc1[C@@H](C)NC(=O)Cc1noc2ccccc12 8130451 OPSAZLYIEMWURG-CYBMUJFWSA-N 324.380 3.565 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C)c1NC(=O)Nc1ccccc1C 8338024 KNJLFSGPGGIRDZ-UHFFFAOYSA-N 315.373 3.761 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(C)c2)cc1 8372215 CDABUXUUEWVSNY-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB COc1ccc2nc(C)cc(Sc3nnc4ccccn34)c2c1 8744631 JDMAUWCDBHEPIC-UHFFFAOYSA-N 322.393 3.746 0 40 DHAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C1 9997209 VPOMNMXMMBPQAE-GHMZBOCLSA-N 315.244 3.910 0 40 DHAB O=C(O)c1cc(Br)ccc1OCCc1ccccc1 11859937 QKYUPLPJCKWDTB-UHFFFAOYSA-N 321.170 3.769 0 40 DHAB COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)c1 12085289 XAGFKPXRNZMYRL-QKLQHJQFSA-N 324.424 3.522 0 40 DHAB Cn1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)n1 12904822 TXKYXZQJNLVAAB-UHFFFAOYSA-N 307.382 3.835 0 40 DHAB Cc1ccc(NC(=O)NC[C@H](C)N2CCC(C)CC2)cc1C 13964178 ZSCCZMCOPDUJPT-INIZCTEOSA-N 303.450 3.545 0 40 DHAB COc1ccc(N(Cc2cccs2)C(=O)c2ccncc2)cc1 14228328 VTBBHPCQNMAOHX-UHFFFAOYSA-N 324.405 3.999 0 40 DHAB CC[C@@H](NC(=O)COc1ccccc1F)c1ccc(C)cc1 14602630 SWTAYXABXDNFBQ-MRXNPFEDSA-N 301.361 3.780 0 40 DHAB O=C1COc2ccccc2N1Cc1ccc(Cl)c(Cl)c1 19620831 LVQNUWMTAIVOBC-UHFFFAOYSA-N 308.164 3.919 0 40 DHAB O=C(/C=C/c1cccc(Cl)c1Cl)NCCc1ccccn1 22408012 PIZWQTYRHLWTBL-BQYQJAHWSA-N 321.207 3.761 0 40 DHAB CCOc1ccc2nc(N(Cc3ccco3)C(C)=O)sc2c1 22894405 KODHNXCHFMZRKC-UHFFFAOYSA-N 316.382 3.841 0 40 DHAB COCc1c(C(=O)N(C)Cc2ccsc2)oc2ccccc12 23957543 AWFXPJUAVWNSNL-UHFFFAOYSA-N 315.394 3.913 0 40 DHAB CC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C 27525300 DOSVPWWEKXGGNK-UHFFFAOYSA-N 309.778 3.952 0 40 DHAB CCN(CC)c1nc(Nc2cc(C)ccc2C)c2cnn(C)c2n1 27666470 IEHVEPNQXKOLAZ-UHFFFAOYSA-N 324.432 3.570 0 40 DHAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNC1CCCCC1 28297073 PLHYIUNCCAEPCC-GOSISDBHSA-N 314.473 3.850 0 40 DHAB CCc1ccccc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 32833296 OABGRPRCWGPCMT-KRWDZBQOSA-N 312.344 3.520 0 40 DHAB C[C@@H](NC(=O)CN(C)[C@H](C)c1ccc(F)cc1)c1cccs1 36415410 BQNAAVKGLGICED-CHWSQXEVSA-N 320.433 3.757 0 40 DHAB COc1ccc([C@@H](O)c2ccc(Br)cc2)c(C)c1 40246003 BZNVVEIUBGUOFV-HNNXBMFYSA-N 307.187 3.848 0 40 DHAB C[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1cc2ccccc2o1 47271105 QGHDZUMDKNDHEC-LLVKDONJSA-N 324.405 3.558 0 40 DHAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)C2CCC2)C1 48313379 CGKXGEHWHBMPTD-HOTGVXAUSA-N 314.473 3.581 0 40 DHAB CC(=O)c1csc(NC(=O)[C@@H](C)SCc2ccccc2)n1 48365896 USCANMWETZNVJP-LLVKDONJSA-N 320.439 3.606 0 40 DHAB Cn1cccc1CN(Cc1cccs1)C(=O)c1ccsc1 49026648 QJCTYUUBCPFAAT-UHFFFAOYSA-N 316.451 3.991 0 40 DHAB FC(F)n1c(CN2CCO[C@@H]3CCCC[C@@H]32)nc2ccccc21 51996690 UMFYDGPZFGXODT-LSDHHAIUSA-N 321.371 3.575 0 40 DHAB Cc1ccc(OCc2nc(-c3ccco3)no2)c2c1[C@@H](C)CC2=O 58033863 PCXVAENXGKOSFC-NSHDSACASA-N 324.336 3.907 0 40 DHAB CNc1nc(SCc2nc(C)c(C)o2)nc2ccccc12 58159121 WICUTORTBAWMKC-UHFFFAOYSA-N 300.387 3.569 0 40 DHAB Cc1ccc(C)c(OCC(=O)N(C)Cc2ccc(Cl)cc2)c1 60382336 LWBPSBKPIBFALG-UHFFFAOYSA-N 317.816 3.994 0 40 DHAB COC(=O)/C=C/c1ccc2c(ccn2C(=O)OC(C)(C)C)c1 66346905 IKUJMQAAEQJMKL-SOFGYWHQSA-N 301.342 3.611 0 40 DHAB O=C(CCc1c[nH]c2ccccc12)N[C@H]1C[C@@H]1c1ccccc1 67502616 LUBWXTIURTXCJI-MJGOQNOKSA-N 304.393 3.773 0 40 DHAB COc1ccc(NC(=S)Nc2cc(F)ccc2F)cc1F 71325901 DQLBDXZBUBRGQN-UHFFFAOYSA-N 312.316 3.921 0 40 DHAB COCCCc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 71828296 DZQWRXODJGNIEJ-UHFFFAOYSA-N 316.426 3.664 0 40 DHAB CCCCOC(=O)[C@H](C)Sc1nnc(-c2cccs2)o1 71922121 BGZOWZKZHDQJKA-VIFPVBQESA-N 312.416 3.622 0 40 DHAB CC(=O)c1ccccc1C(=O)N1C[C@@H](c2ccsc2)C[C@H]1C 73939838 SSENGCHOQIQLBD-DOMZBBRYSA-N 313.422 3.969 0 40 DHAB CC(C)c1nc([C@H]2CCCN2c2ncnc3sccc23)no1 75573023 XVDPLEUJDHVAHE-LLVKDONJSA-N 315.402 3.539 0 40 DHAB O=C(NCC[C@@H](O)c1ccccc1)c1cccc2ccccc12 85436432 PNDYUQDFAHTOGM-LJQANCHMSA-N 305.377 3.693 0 40 DHAB O=C(CCCc1ccccn1)NCCc1c(F)cccc1Cl 89883656 AJLSARVMQUSIOK-UHFFFAOYSA-N 320.795 3.556 0 40 DHAB CCS[C@H]1CCCCN(Cc2sc(N(C)C)nc2C)C1 93361858 QMJSNOGYPFMYEF-ZDUSSCGKSA-N 313.536 3.625 0 40 DHAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 95412630 MQXVMZBNXYKAIB-CABCVRRESA-N 319.788 3.661 0 40 DHAB CCN(CC)[C@H](C(=O)OCc1ccoc1C)c1ccccc1 95468951 PGDQGRLHZKGKEG-KRWDZBQOSA-N 301.386 3.714 0 40 DHAB O=C(NCC1(c2ccc(F)cc2Cl)CC1)[C@H]1CC=CCC1 95980189 WKFSVSGMLKCDBQ-LBPRGKRZSA-N 307.796 3.983 0 40 DHAB Fc1ccc(CN2CC3(CCN(Cc4ccsc4)C3)C2)cc1 96046486 YBVNJTZTOBSCOU-UHFFFAOYSA-N 316.445 3.595 0 40 DHAB Cc1c(-c2csc(CS(C)(=O)=O)n2)sc2ccccc12 96417547 JNXAUVKDIGTGTL-UHFFFAOYSA-N 323.464 3.878 0 40 DHAB CSCc1cccc(NC(=O)N2CC[C@H](CSC)C2)c1 96418075 JYRHXYYIYVBMOG-ZDUSSCGKSA-N 310.488 3.766 0 40 DHAB CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccccc2COC)C1 96432336 QJBIQXSEAKAQPA-HUUCEWRRSA-N 307.459 3.579 0 40 DHAB Cc1csc([C@@H](C)CNC(=O)N[C@@H]2CCc3ccccc32)n1 97109746 KUBNIQFWEOJGBB-XHDPSFHLSA-N 315.442 3.542 0 40 DHAB Cc1ccc(-c2noc(-c3nc(Cc4ccccc4)no3)n2)cc1 98212345 SXKOZTMWWXZYGZ-UHFFFAOYSA-N 318.336 3.686 0 40 DHAB OC[C@H]1CC[C@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 101693320 GMMCFLBYXLATLO-HLLBOEOZSA-N 301.430 3.574 0 40 DHAB Cc1ccccc1O[C@@H]1CCCC[C@H]1N[C@@H]1CCCC[C@@H]1N 218867907 DIKKZBGQGPTGNT-DODZYUBVSA-N 302.462 3.545 0 40 DHAB CC(C)OCCCNC(=S)Nc1ccc(OC(C)C)cc1 225375946 AECFCAQKJYAFLJ-UHFFFAOYSA-N 310.463 3.575 0 40 DHAB NC(=O)CCc1ccc(OCc2cccc3ccccc23)cc1 226345288 JWPIWXKXYVACTF-UHFFFAOYSA-N 305.377 3.837 0 40 DHAB C[C@@H]1C[C@@H](C(F)(F)F)CN(C(=O)OCc2ccccc2)C1 261508608 VEIFLRPBZJRUJN-DGCLKSJQSA-N 301.308 3.844 0 40 DHAB O=C(Cc1c(F)cccc1Cl)NCc1cncc(C2CC2)c1 575619765 NBDBEAWQYMLOQJ-UHFFFAOYSA-N 318.779 3.610 0 40 DHAB Cc1cc(NC(=S)NC(C)(C)C)ccc1Br 150636 ZJSRSRSTTUNPHV-UHFFFAOYSA-N 301.253 3.842 0 40 DHAB Cc1nnc(SCC(=O)Nc2ccccc2)c2ccccc12 188627 YQWVBSSKUDHRAD-UHFFFAOYSA-N 309.394 3.669 0 40 DHAB COc1ccc(OC)c(NC(=O)c2ccc(OC(C)C)cc2)c1 341331 IQWNAPROVMWXPX-UHFFFAOYSA-N 315.369 3.743 0 40 DHAB Cc1cc(C)nc(Sc2ncnc3sc(C)c(C)c23)n1 383013 YIUBOHSPQDIUCK-UHFFFAOYSA-N 302.428 3.866 0 40 DHAB CC(=O)OCCCC[C@@H]1CO[C@H](c2ccc(C(C)C)cc2)O1 1681894 DDLOGTGEIHACKY-MSOLQXFVSA-N 306.402 3.957 0 40 DHAB CC1(C)C[C@@](CCN)(c2cccc(C(F)(F)F)c2)CCO1 2416164 CFLWWOUJHSGOBX-HNNXBMFYSA-N 301.352 3.881 0 40 DHAB NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 3139699 YKWZFTUJEGPRRZ-UHFFFAOYSA-N 316.360 3.705 0 40 DHAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 3154997 YOFVPGNOKDVKSL-UHFFFAOYSA-N 305.177 3.774 0 40 DHAB CCO/C=C1/C(=O)N(c2ccccc2C)C(=O)c2ccccc21 3200259 DDBRCGRRCKOEPQ-FOWTUZBSSA-N 307.349 3.559 0 40 DHAB COC(=O)c1ccc(OC(=O)Cc2cccc3ccccc23)cc1 3344596 IWZBWFOAUNLVST-UHFFFAOYSA-N 320.344 3.775 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 3607382 HDAJKEXCUOWHEA-LBPRGKRZSA-N 317.772 3.949 0 40 DHAB C[C@H]1CN1P(=O)(Oc1ccc2ccccc2c1)N1C[C@@H]1C 4726171 ZGGMATWNKPRVSC-IFHHFJDFSA-N 302.314 3.735 0 40 DHAB COc1cccc(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)c1 5371997 FONLKENEEPEGEH-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 6226783 LJANJGCDCZIOID-LZMCZGSNSA-N 319.832 3.507 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1 7401299 OLCABINNISSDBM-LLVKDONJSA-N 319.307 3.573 0 40 DHAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7882142 HTJBLVCEEGJKLM-WBVHZDCISA-N 322.408 3.543 0 40 DHAB C[C@@H](NC(=O)Cc1ccccc1)c1ccccc1Br 7978892 JZNHWHMYCNQIQO-GFCCVEGCSA-N 318.214 3.869 0 40 DHAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C1CC1 8150644 WKNKOVQMYLDWOZ-OAHLLOKOSA-N 310.422 3.888 0 40 DHAB Cc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1C 8583065 PHSDTAWEYBSZTC-UHFFFAOYSA-N 321.428 3.669 0 40 DHAB Cc1ccc2nc(NC(=O)c3ccc4nccnc4c3)sc2c1 8772373 XCQGPOYUTVMYBB-UHFFFAOYSA-N 320.377 3.800 0 40 DHAB C[C@H](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 9750158 TYKWCGYIVVOSCG-CQSZACIVSA-N 322.408 3.711 0 40 DHAB COc1cccc(CSc2nc(N)c3ccsc3n2)c1 9750203 HNLSLVMGVNBERJ-UHFFFAOYSA-N 303.412 3.574 0 40 DHAB Cc1ccc(NC(=O)Nc2ccc(Cn3cncn3)cc2)cc1C 9875101 UFFMGDZPAUFGPB-UHFFFAOYSA-N 321.384 3.587 0 40 DHAB Cc1cc(C)c(NC(=O)CN2CCc3sccc3C2)c(C)c1 10341092 FGCVHQUFZZCYGB-UHFFFAOYSA-N 314.454 3.670 0 40 DHAB Cc1ccccc1C(=O)NCCc1ccc(Br)s1 10499802 UATSVCAVMJVCQV-UHFFFAOYSA-N 324.243 3.792 0 40 DHAB Cc1cc(NC(=O)CCSc2nc3ccccc3s2)no1 10861596 DVFUAFUSMDQIAN-UHFFFAOYSA-N 319.411 3.714 0 40 DHAB CC(C)CCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1 12422171 MWPAQYVNCLQFQO-UHFFFAOYSA-N 306.793 3.700 0 40 DHAB C[C@H](NC(=O)CN(C)Cc1cccc(Cl)c1)c1cccs1 12782651 PPOYOOQUMQPZAT-LBPRGKRZSA-N 322.861 3.711 0 40 DHAB CCOC(=O)/C=C(\C)Sc1cc(O)c2ccccc2c1O 13143020 ZWPCTBYNLWBREY-CSKARUKUSA-N 304.367 3.810 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(C(C)=O)c1 13994712 DPKXLKYZLCFERZ-KRWDZBQOSA-N 311.381 3.994 0 40 DHAB CN(Cn1[nH]c(/C=C/c2ccccc2)nc1=S)C1CCCC1 14188881 DCSUXFAQMAGWAR-VAWYXSNFSA-N 314.458 3.943 0 40 DHAB COc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)c(OC)c1 18029443 PPTHXYAUQZBZCM-UHFFFAOYSA-N 322.364 3.747 0 40 DHAB c1coc([C@@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)c1 19376172 QPVMKVCIEVVEOO-LJQANCHMSA-N 319.408 3.623 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3C)no2)cc1 21786474 CSIXONNTMDNWJC-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB C[C@@H](NCc1ccc(Cl)s1)c1ccc(-n2cncn2)cc1 22817003 WVZFLCIWABOYCD-LLVKDONJSA-N 318.833 3.833 0 40 DHAB Cc1nc(-c2ccc(N[C@@H](C(N)=O)c3ccccc3)cc2)cs1 26225329 CWJSTHLCCWTQPN-QGZVFWFLSA-N 323.421 3.757 0 40 DHAB Cc1cc(C)n(CCCNc2nnc(-c3ccccc3)s2)n1 26692556 DSZPCTWCAPRTBJ-UHFFFAOYSA-N 313.430 3.521 0 40 DHAB C[C@H](NCc1ccsc1)c1ccc(NC(=O)C2CC2)cc1 28925557 BCRJUUNOJFQCPO-LBPRGKRZSA-N 300.427 3.947 0 40 DHAB Cc1nc(-c2ccncc2)sc1C(=O)N(C)Cc1ccccc1 31864812 FTVIBVTVJMKEQK-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB Cc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 32779522 MUNGABRXYJBQKZ-IBGZPJMESA-N 323.440 3.954 0 40 DHAB Cc1cc(N(C)CCOc2ccccc2F)nc(C(C)C)n1 32806484 HDSDVBDHJUEADJ-UHFFFAOYSA-N 303.381 3.563 0 40 DHAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 35643677 OGUASZAAVFYYIL-XGXHKTLJSA-N 314.425 3.836 0 40 DHAB in-vitro O=C(Nc1ccccc1Cn1cccn1)c1ccc(Cl)cc1 36398282 VIOVQPPFQBFZHQ-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB O=C(Nc1nnc(C2CCCCC2)o1)c1c[nH]c2ccccc12 36652076 SGRWGRWRSXCENW-UHFFFAOYSA-N 310.357 3.851 0 40 DHAB Cc1cnc(C(=O)Nc2ccccc2N(C)c2ccccc2)cn1 40114469 INUWYEWQUWCKJM-UHFFFAOYSA-N 318.380 3.805 0 40 DHAB COc1cc([C@H](C)NC(=O)CC(F)(F)F)ccc1OC(C)C 40516345 UGWRARQLKXPDQG-JTQLQIEISA-N 319.323 3.612 0 40 DHAB CCCCc1noc([C@H]2CCCCN2C(=O)c2ccc(C)o2)n1 40714908 PSFKJJWWHBMGQE-CYBMUJFWSA-N 317.389 3.681 0 40 DHAB CCc1cccc(CC)c1NC(=O)COc1cccc(OC)c1 40946375 ZNQLHZRWBBZLBX-UHFFFAOYSA-N 313.397 3.838 0 40 DHAB CCCc1noc(C2CCN(C(=O)CCC3CCCC3)CC2)n1 41121858 VFVAPJPGMRHUFO-UHFFFAOYSA-N 319.449 3.699 0 40 DHAB C[C@H]1CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccc2O1 41155577 OIPYXGNINCCJQU-ZDUSSCGKSA-N 320.348 3.769 0 40 DHAB CCONC(=O)c1cc2ccccc2n1Cc1ccccc1F 45013579 OXEWOUYVZQQKQW-UHFFFAOYSA-N 312.344 3.510 0 40 DHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)C[C@@H](C)c2ccccc2)C1 48374068 NYEWLKFVPFIXQH-FGTMMUONSA-N 316.489 3.664 0 40 DHAB Cc1cn(CC(=O)N(C)[C@@H](C)c2ccncc2)c2ccccc12 50355274 UQFRWRCPSIZRHD-HNNXBMFYSA-N 307.397 3.564 0 40 DHAB O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCOc2ccccc21 53961647 AOWOQVKVTGCYLF-AWEZNQCLSA-N 304.296 3.610 0 40 DHAB CC(C)OC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1 59387314 RIEJIFKGHDJACK-UHFFFAOYSA-N 315.335 3.621 0 40 DHAB O=C(Nc1ccccc1Cl)c1c(-c2ccccc2)cc[nH]c1=O 62635717 BUUNKAUIEAIMJK-UHFFFAOYSA-N 324.767 3.948 0 40 DHAB c1ccc(-c2nsc(SCc3noc(C4CC4)n3)n2)cc1 67737659 VPEZPKRIBFEXOR-UHFFFAOYSA-N 316.411 3.758 0 40 DHAB CCn1c(CN(C)CCC(F)(F)F)nc2c(F)cccc21 69509873 DVOFODPJRVFHGJ-UHFFFAOYSA-N 303.303 3.580 0 40 DHAB OCc1nc2ccccc2n1Cc1csc(C2CCCC2)n1 69737706 IAHLPHDZGIKWPN-UHFFFAOYSA-N 313.426 3.691 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCCc3ccccc32)on1 71820957 GZAZGWAIKFOWGV-IAGOWNOFSA-N 310.397 3.767 0 40 DHAB Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(F)c(C)c3)c2)n[nH]1 72313229 IGVDXORTFWOWHO-UHFFFAOYSA-N 324.359 3.788 0 40 DHAB Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@H]3C)c2)nn1 77136034 YEUNANLQWZMXBL-CQSZACIVSA-N 311.385 3.592 0 40 DHAB CSc1ccc(NC(=O)NCc2ccncc2)cc1Cl 78988724 ZUHLQTJFTYRSTM-UHFFFAOYSA-N 307.806 3.779 0 40 DHAB O=C(NCC[C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 81253597 JWTAWKJYQMJYBX-HNNXBMFYSA-N 324.207 3.847 0 40 DHAB Oc1cccc(CN(CC2CC2)c2ncnc3cccc(F)c23)c1 84374505 ABGBMAXCIZYIKZ-UHFFFAOYSA-N 323.371 3.891 0 40 DHAB C[C@@H](NCc1nc(C2CC2)cs1)c1ccc2c(c1)OCO2 90460449 YCAZBCQPGCUQHE-SNVBAGLBSA-N 302.399 3.600 0 40 DHAB CCc1nsc(N[C@H](c2nc3ccccc3[nH]2)C(C)C)n1 92583683 JNHDLLRWCPITJG-ZDUSSCGKSA-N 301.419 3.786 0 40 DHAB C[C@@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2 95451050 KUTJZVFQMVZUKS-SNVBAGLBSA-N 319.499 3.859 0 40 DHAB O=C(O)[C@@H]1c2ccc(F)cc2CCN1c1ccc(Cl)cc1 95917896 BMRGFUMTJOUYQC-HNNXBMFYSA-N 305.736 3.668 0 40 DHAB Cc1cccc([C@@H](C)CNC2CCN(Cc3ccccn3)CC2)c1 96478273 NPRGCBSJLCDDIZ-SFHVURJKSA-N 323.484 3.748 0 40 DHAB Cc1ccc(OCCCO[C@@H]2CCCc3c[nH]nc32)cc1C 97104248 XFYQVTFCHHXBQU-QGZVFWFLSA-N 300.402 3.890 0 40 DHAB c1cncc(CCNCc2c[nH]nc2-c2cc3ccccc3o2)c1 97159834 NSUQRIKGYLZKEX-UHFFFAOYSA-N 318.380 3.550 0 40 DHAB C[C@@H]1[C@H](OC[C@H](O)CSc2ccccn2)[C@H]2CC[C@H]1C2(C)C 106220007 TWDXDPVWDPRXGY-XGYYKPKNSA-N 321.486 3.622 0 40 DHAB O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc2c(s1)CCC2 128832445 WJNDDMOALAGTEK-UHFFFAOYSA-N 309.394 3.879 0 40 DHAB Cc1ccc(-c2nnc(-c3c(C)nc4cc(C)ccn34)o2)cc1 216603620 GYMWMOLMKRQXLV-UHFFFAOYSA-N 304.353 3.977 0 40 DHAB Cc1ccc(CC(=O)NCCOc2cc(C)ccc2C)c(C)c1 224045747 JZEKTXUYFNAWDR-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB Cc1cnc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)s1 257331616 XTOSKTBHXYRZRM-INIZCTEOSA-N 314.454 3.790 0 40 DHAB Cc1csc2c(Cl)ncc(I)c12 953051666 XZPNPPVJDMLOHB-UHFFFAOYSA-N 309.559 3.863 0 40 DHAB O=C(CSc1nc2ccccc2[nH]1)NCCC1=CCCCC1 215989 AYIYWYSSTVLXFG-UHFFFAOYSA-N 315.442 3.662 0 40 DHAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 300722 MCWYXNABLOVBSW-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB Cc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1C 574045 VSYOSIWCFLBMOC-UHFFFAOYSA-N 311.410 3.911 0 40 DHAB Cc1cccc(N2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)c1 1235774 FBWBCPOQKKBHNF-GDNBJRDFSA-N 311.362 3.942 0 40 DHAB C[C@H]1CN=C(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 1645028 MMRNHFGQOYNUCE-ZETCQYMHSA-N 318.229 3.948 0 40 DHAB CCN(C(=S)NC(=O)CCc1ccccc1)c1ccccc1 2135874 XBVMFEUGPXDKNI-UHFFFAOYSA-N 312.438 3.547 0 40 DHAB CCc1nc2ccccc2c(C(=O)O[C@H]2CCCCC2=O)c1C 3377072 MDTABBQVXSTQCG-KRWDZBQOSA-N 311.381 3.774 0 40 DHAB COc1ccc(/C=C\[C@@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 4934875 GDNSQQLLCBYQEJ-MFDNEJIUSA-N 315.457 3.581 0 40 DHAB Cc1ccc(OCCNC(=S)Nc2cc(C)ccc2C)cc1 7582738 ZYNIKGGALHJJNV-UHFFFAOYSA-N 314.454 3.977 0 40 DHAB Cc1ccccc1N1C[C@@H](C(=O)Oc2c(C)cccc2C)CC1=O 7929324 BOVAVAPCWLSLEM-INIZCTEOSA-N 323.392 3.570 0 40 DHAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 8074368 QSQZIUIHLFNMCA-UHFFFAOYSA-N 324.424 3.654 0 40 DHAB C[C@@H](c1ccc(F)cc1)N1C(=O)NC2(CCCCCC2)C1=O 8328147 RPQOZACJPYWHER-LBPRGKRZSA-N 304.365 3.532 0 40 DHAB O=c1c2ccc(F)cc2ncn1Cc1ccccc1C(F)(F)F 9691135 WNCXMCSYVUPOFI-UHFFFAOYSA-N 322.261 3.603 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)c(F)c1 11028184 SFBZIJDNQNALQY-UHFFFAOYSA-N 311.715 3.944 0 40 DHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116109 AOFKMPZTIVAHCC-QGZVFWFLSA-N 323.371 3.608 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)ccc1F)c1nc2ccccc2[nH]1 12540082 JTDYHYRPKHVAOV-VIFPVBQESA-N 317.751 3.846 0 40 DHAB CC[C@H](C)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 12770627 IAULLYFFGAYCJM-ZDUSSCGKSA-N 312.417 3.656 0 40 DHAB COc1cccc(CNC(=O)N[C@H](c2ccccc2)C2CC2)c1 12870167 JBKNMUHYRIGHSB-GOSISDBHSA-N 310.397 3.646 0 40 DHAB Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)c(F)c1 12994697 XBOPSSNMFDNRJG-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB COc1ccc(F)c(CN(Cc2sccc2C)C[C@H](C)O)c1 13991670 IXOMUNIHWCAFFA-ZDUSSCGKSA-N 323.433 3.587 0 40 DHAB CC[C@@](C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1F 14135753 ORWVJTMTAXAABQ-CQSZACIVSA-N 301.745 3.699 0 40 DHAB Cc1nc2ccccc2nc1COc1ccccc1/C=C/C(=O)O 16265472 IYKVGTHPYUMPLU-ZHACJKMWSA-N 320.348 3.615 0 40 DHAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(F)cc1)CCC3 17054618 WWBZAPATGZNXRQ-UHFFFAOYSA-N 318.398 3.738 0 40 DHAB Cc1cc(C)n([C@H](C)CC(=O)Nc2cccc(OC(C)C)c2)n1 19573135 LDTDVYFATBEZBN-OAHLLOKOSA-N 315.417 3.877 0 40 DHAB O=C(c1cc(-c2cccs2)on1)N1CCc2sccc2C1 21629407 AHQRIYBRPMPLPL-UHFFFAOYSA-N 316.407 3.663 0 40 DHAB Cc1cccc(C(=O)Nc2ncc(Cc3ccccc3)s2)n1 24914938 ULMJLOZQWLANDG-UHFFFAOYSA-N 309.394 3.690 0 40 DHAB Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@@H]2C1 25410973 WBLURPAGRKIDKQ-YESZJQIVSA-N 300.446 3.834 0 40 DHAB O=C(Nc1cccnc1)c1ccccc1C(=O)c1ccc(F)cc1 29519316 QOLSXNZIUVEILC-UHFFFAOYSA-N 320.323 3.704 0 40 DHAB CC(=O)Nc1ccc(CNC2CCC(C(F)(F)F)CC2)cc1 30662416 GXOHKEGWHCXQQY-UHFFFAOYSA-N 314.351 3.856 0 40 DHAB CC(C)c1noc(CCC(=O)N[C@@H](c2cccs2)C(C)C)n1 30677239 AZOAISQICMGDQV-OAHLLOKOSA-N 321.446 3.701 0 40 DHAB c1ccc([C@@H](NCc2ccco2)c2ccc3c(c2)OCO3)cc1 31815971 YIWCSHQSZGCQDJ-LJQANCHMSA-N 307.349 3.888 0 40 DHAB CCC(=O)Nc1cc(NC(=O)c2ccc(OC)cc2)ccc1C 36567027 ZMSDTIHPQFACMM-UHFFFAOYSA-N 312.369 3.604 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2C(C)C)c2cnn(C)c2n1 36616404 RPGNWXPFAGZCDZ-UHFFFAOYSA-N 308.385 3.652 0 40 DHAB CC(=O)O[C@@]1(Cc2ccccc2)CN2CC[C@@H]1c1ccccc12 38601207 LVHTUQSUYMWMGX-QUCCMNQESA-N 307.393 3.539 0 40 DHAB O=C(Nc1ccc2ccccc2n1)c1ccccc1-n1cccn1 40141406 KQBAVBOOHIFMDL-UHFFFAOYSA-N 314.348 3.673 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 51354421 NGFZVYUIRFEHHL-UHFFFAOYSA-N 305.284 3.567 0 40 DHAB O=S(=O)(Cc1csc(-c2ccccc2)n1)c1ccccc1 55122478 QIIGEWLPTNCKDE-UHFFFAOYSA-N 315.419 3.784 0 40 DHAB Cn1ccc2c(NC(=O)c3cc4ccccc4n3C)cccc21 70666358 RNNSJUPCRTUEDC-UHFFFAOYSA-N 303.365 3.922 0 40 DHAB biogenic O=C(Nc1ccc(OCc2cccnc2)cc1)NC1CCCC1 71799353 GAGPBVQXQKBQEX-UHFFFAOYSA-N 311.385 3.725 0 40 DHAB CC[C@H](C(=O)N[C@@H]1CCc2cc(F)ccc21)c1c(C)noc1C 71853786 GRQURZKPBYWOIX-GOEBONIOSA-N 316.376 3.728 0 40 DHAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)/C=C/c1ccnc2ccccc12 71910545 OUAATNTVCPGAJT-CNKLBNASSA-N 324.424 3.712 0 40 DHAB CCN(C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72212774 NUZXWIXDWUULAP-CQSZACIVSA-N 305.422 3.610 0 40 DHAB O=C(CC[C@H]1CCCCO1)N1CCCC[C@H]1c1nccs1 72285837 QRXDUODKDWRXSJ-KGLIPLIRSA-N 308.447 3.546 0 40 DHAB CCc1nc([C@@H]2CCCN2Cc2cc(C)nc3ccccc23)no1 76018020 NQATXBBFVVDAOY-KRWDZBQOSA-N 322.412 3.826 0 40 DHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2C1CCCCC1 79480366 AVVCCVVDSWYJSF-CYBMUJFWSA-N 309.435 3.714 0 40 DHAB Cc1c(C(=O)N(C)Cc2cccc(O)c2)oc2c(F)cccc12 80380870 VUKBHXWLEKFICB-UHFFFAOYSA-N 313.328 3.858 0 40 DHAB CC(=O)Nc1cccc([C@H](C)N[C@@H](C)[C@@H]2COc3ccccc32)c1 90845074 QMCFYAZVLOMJEV-NJSLBKSFSA-N 324.424 3.860 0 40 DHAB COc1cc(Cl)c(NC(=O)N2CCC(C)(C)C2)cc1OC 95403789 HGTZIOQOAKIQDF-UHFFFAOYSA-N 312.797 3.621 0 40 DHAB CCc1cnc(N2CCC(OCc3ccccc3)CC2)s1 95941832 IQGJDELHXRYAMP-UHFFFAOYSA-N 302.443 3.891 0 40 DHAB C[C@H]1c2cc(F)ccc2CCN1Cc1nnc(-c2ccco2)o1 96406956 OGMJKTVKVINYIT-NSHDSACASA-N 313.332 3.588 0 40 DHAB O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@H]1c1ccsc1 96418235 SYBVMKBBLCTUPQ-HOCLYGCPSA-N 317.385 3.554 0 40 DHAB Cc1ccc(OCC(=O)Nc2cnc(Cl)cc2C)c(C)c1 135945840 HOZGSKRVWBEVEV-UHFFFAOYSA-N 304.777 3.678 0 40 DHAB Cc1ccc(C(=O)NCCN(C)c2ccccc2)c(Cl)c1 192307332 JXKAXOFCSQWZQM-UHFFFAOYSA-N 302.805 3.515 0 40 DHAB O=C(Nc1ccn2nccc2c1)c1ccccc1C(F)(F)F 217953858 FIFFZVRPQZFGAM-UHFFFAOYSA-N 305.259 3.605 0 40 DHAB CCCOCc1cc(C(=O)N[C@@H](C)CCC)ccc1OCC 224710187 FPMXQEOEDCUXGB-AWEZNQCLSA-N 307.434 3.930 0 40 DHAB CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)cc1 238879261 OVNBOHWONIHAKG-QGZVFWFLSA-N 324.424 3.673 0 40 DHAB CCCCc1nc(CN2CCCC[C@H]2c2[nH]ncc2C)c[nH]1 257213514 CHWIBIMSLGNOJJ-HNNXBMFYSA-N 301.438 3.511 0 40 DHAB COc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)cc1 408530893 RZGNIWJJNSABLX-UHFFFAOYSA-N 324.311 3.511 0 40 DHAB C[C@@]1(c2nc(-c3ccc4nccnc4c3)no2)C[C@H]2CC[C@H]1C2 528128619 NXCIHCXVNFNEDG-RRUGBERISA-N 306.369 3.758 0 40 DHAB Cc1ccc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)cc1 72070 LAMPXQZQSSSGND-UHFFFAOYSA-N 316.360 3.644 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)NCCc1cccs1 100691 FDZJIASKZUSBGP-UHFFFAOYSA-N 312.394 3.684 0 40 DHAB COc1ccc(C2OCC(C)(C)CO2)cc1Br 383943 FTYNTOQCCHAXGR-UHFFFAOYSA-N 301.180 3.529 0 40 DHAB in-vitro CCOc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1 531869 NPQXITYIDYJQFL-UHFFFAOYSA-N 322.393 3.919 0 40 DHAB Cc1ccccc1N1C(=O)c2ccccc2[C@]1(O)c1ccccc1 1425965 ZFLKYRYEMHOYGZ-OAQYLSRUSA-N 315.372 3.849 0 40 DHAB COc1cc(NCCCCCCN(C)C)c2ncccc2c1 1687509 DEURLLRBZUOSMM-UHFFFAOYSA-N 301.434 3.777 0 40 DHAB CC[C@H](C(=O)OCC(=O)Nc1ccccc1C)c1ccccc1 3446621 KPHVUYYYHYHHKS-INIZCTEOSA-N 311.381 3.671 0 40 DHAB CCn1c2ccccc2c2cc(NC(=O)CN3CCCC3)ccc21 3454224 MCTSETOWUWILFY-UHFFFAOYSA-N 321.424 3.849 0 40 DHAB CC(C)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 4251608 GGGXVCRWQZECGG-UHFFFAOYSA-N 324.380 3.747 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)c1 4826556 XXXRYHXPCRBSDE-UHFFFAOYSA-N 323.392 3.588 0 40 DHAB CCOCCCNCc1cccc(OCc2ccccc2F)c1 8253198 PABITTPRWZVEHF-UHFFFAOYSA-N 317.404 3.921 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1 8289251 QVFCGKOKXRDUHB-UHFFFAOYSA-N 315.344 3.826 0 40 DHAB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)ccc2O1 9029088 JZEILLBUEHNYLE-JXCQQFQQSA-N 322.339 3.695 0 40 DHAB Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1F 9387367 VHTZUIIJVNWBPJ-NSHDSACASA-N 324.396 3.794 0 40 DHAB COCc1cc(=O)c2c(C3CCCC3)nn(-c3ccccc3)c2[nH]1 9578679 BRMLGUVGNNWMGH-UHFFFAOYSA-N 323.396 3.518 0 40 DHAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CC1(Cl)Cl 9721256 YUZLQZIIIPKNSW-ZCFIWIBFSA-N 305.161 3.568 0 40 DHAB COCCCNC(=O)c1ccccc1SCc1ccccc1 10328123 QLYSTQROMMPZKM-UHFFFAOYSA-N 315.438 3.745 0 40 DHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)NC1CCCCC1)C2 12498995 LRLKVCCHWYVSDI-ALOPSCKCSA-N 323.550 3.579 0 40 DHAB Clc1ccccc1-c1noc(CN2CCc3ccccc32)n1 12563828 PNYWUXZBQXLBQH-UHFFFAOYSA-N 311.772 3.953 0 40 DHAB Cc1ccccc1CN(C)CCC(=O)N[C@@H](C)c1ccccc1 12754066 NGAAALDUKMJIGP-KRWDZBQOSA-N 310.441 3.694 0 40 DHAB Cc1ccc(CS(=O)(=O)NCCC2CCCCCC2)cc1 13668590 OPEKQNRSVBUFQC-UHFFFAOYSA-N 309.475 3.775 0 40 DHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)[C@H]1CC=CCC1 14728802 XYONMMQSWQMIJG-AWEZNQCLSA-N 322.412 3.525 0 40 DHAB Cc1ccc([C@@H](CNC(=O)c2cccs2)N2CCCCC2)o1 15860179 POFNJUGHZMPJOP-CQSZACIVSA-N 318.442 3.607 0 40 DHAB Cn1ccc([C@H]2CCCCCN2Cc2cc(F)ccc2F)n1 19291061 XPKHDHIBTRDOGF-QGZVFWFLSA-N 305.372 3.816 0 40 DHAB Cc1nc(CCNC(=O)c2cccc3c(C)c(C)[nH]c23)cs1 24754724 STTTUSGGRNMQTA-UHFFFAOYSA-N 313.426 3.522 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(C(C)C)s1 27663472 XIUZAUYWESYDOA-LLVKDONJSA-N 323.393 3.597 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)cc1 28303973 GUUALXPEQGRORY-OAHLLOKOSA-N 320.392 3.977 0 40 DHAB C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(F)cc1F 32696847 DWHQIWGZVWZORD-QWHCGFSZSA-N 319.351 3.747 0 40 DHAB CN(Cc1ccc2c(c1)OCO2)Cc1ncc(-c2ccccc2)o1 32751554 APNYLEVMFOVXPW-UHFFFAOYSA-N 322.364 3.702 0 40 DHAB O=C(NC1CC1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 32769333 PKROWOZTUACHHG-UHFFFAOYSA-N 311.772 3.776 0 40 DHAB C[C@H](NC(=O)CCc1ccco1)c1cccc(OC(F)F)c1 32931074 VRGSUJKPHWSULH-NSHDSACASA-N 309.312 3.691 0 40 DHAB Cc1ncc(NC(=O)C2CC2)n1-c1nc(-c2ccccc2)cs1 35682921 RYTIFOFRFFGPEQ-UHFFFAOYSA-N 324.409 3.653 0 40 DHAB COC(=O)c1ccc(CSc2ccc3c(c2)OCCCO3)o1 39580855 FNTKKIOUICHGND-UHFFFAOYSA-N 320.366 3.520 0 40 DHAB CSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 39989036 UFMDWYKLJOPQEF-QPJJXVBHSA-N 311.819 3.565 0 40 DHAB COCCN(Cc1ccsc1)C(=O)Cc1ccccc1Cl 42382166 OEYDCRIKNAGDSB-UHFFFAOYSA-N 323.845 3.619 0 40 DHAB CC(C)CO[C@@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 42404529 NGQCWBBZVZDMET-ZDUSSCGKSA-N 320.433 3.671 0 40 DHAB C[C@H]1CCCCN1c1c(N)cc(Cl)c(N)c1Br 45891328 BPLLGTLRYYVXBQ-ZETCQYMHSA-N 318.646 3.646 0 40 DHAB O=C(NCC1(c2cccs2)CC1)C1(c2ccc(F)cc2)CC1 49521043 PNRRZOFCGHPIJX-UHFFFAOYSA-N 315.413 3.767 0 40 DHAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(O)cc2)C1 49549701 NRDSZAHIBZHGCJ-MRXNPFEDSA-N 319.364 3.761 0 40 DHAB O=C(NCC1(c2cccc(F)c2)CCOCC1)C1CCCCC1 55450762 YIGOWEFCVMHCFM-UHFFFAOYSA-N 319.420 3.570 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1nnc(C2CC2)s1 58162710 QEVAXGFWJIEUGD-RAIGVLPGSA-N 322.478 3.998 0 40 DHAB O=C(NCCC1CCCC1)c1ccn(-c2cccc(Cl)c2)n1 58432014 ZQMSKHUJRUYQPL-UHFFFAOYSA-N 317.820 3.836 0 40 DHAB O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)NC1CC1 65985095 LHAAHVLBYPUBMU-UHFFFAOYSA-N 317.776 3.598 0 40 DHAB COc1ccccc1-c1ccc(C[C@H]2CCCN(C(C)=O)C2)cn1 72360726 SEPSGFIZEVJPKI-QGZVFWFLSA-N 324.424 3.558 0 40 DHAB C[C@H]1CCN(C(=O)CSc2ccncc2)[C@H](c2ccco2)C1 75389742 PYFVLGCBPHEFAH-ZFWWWQNUSA-N 316.426 3.767 0 40 DHAB O=C(Nc1cccc(Cl)c1O)c1occc1Br 81780882 BTULSQXSNUTXAV-UHFFFAOYSA-N 316.538 3.653 0 40 DHAB COc1ccc2cc(Br)ccc2c1CCC(=O)O 85385410 ZYFJPGIMQKJWHW-UHFFFAOYSA-N 309.159 3.628 0 40 DHAB O=C1CCN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C1 89220451 DLEUYEPFFNLJCI-SFHVURJKSA-N 309.365 3.729 0 40 DHAB Cc1c(C(=O)Oc2ccccc2C(C)C)cnn1-c1ccncc1 90427061 NZHVIPCUKVJYOQ-UHFFFAOYSA-N 321.380 3.918 0 40 DHAB Brc1cncc(-c2cc(-c3ccccc3)n[nH]2)c1 95094770 DSZFCXZHJPCLRE-UHFFFAOYSA-N 300.159 3.901 0 40 DHAB Brc1ccc(SCCC2CCNCC2)cc1 95908639 PSQQUTAMMFANSD-UHFFFAOYSA-N 300.265 3.931 0 40 DHAB CCc1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 96817191 MIPUJUOZSJAWKF-DTQAZKPQSA-N 302.377 3.903 0 40 DHAB COc1ccc([C@H]2OC[C@@]3(CO)[C@@H](C)[C@H]2C(C)=C[C@H]3C)cc1 100490477 RJYHUHMMBLCXKJ-WKBVASEUSA-N 302.414 3.594 0 40 DHAB C[C@@H]1[C@@H](OC[C@@H](O)CSc2ccccn2)[C@H]2CC[C@H]1C2(C)C 106219998 TWDXDPVWDPRXGY-ZAPJKBGESA-N 321.486 3.622 0 40 DHAB CC(=O)c1csc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1 106711993 FYCNRLQMHQFJPB-SECBINFHSA-N 322.455 3.857 0 40 DHAB C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1csc2ccccc12 108105620 UFXWALSGDLIUJM-YIKOMLBNSA-N 316.426 3.581 0 40 DHAB C[C@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1ccccn1 185505816 AWHPOJNSSYPZRM-GWCFXTLKSA-N 315.339 3.563 0 40 DHAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(OC(C)C)cc1 216958099 IHVUNUQQNFBYOO-UHFFFAOYSA-N 323.392 3.918 0 40 DHAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccccc2)cc1 219480364 QUDMPAUGEOLNFL-OAHLLOKOSA-N 315.438 3.671 0 40 DHAB CCSc1nnc(NC(=O)c2cc(C)c(C)cc2C)s1 225653351 KSDPRZNHFKCXCX-UHFFFAOYSA-N 307.444 3.828 0 40 DHAB CCCCOc1ccc(C2=NN[C@@H]3CC(C)(C)CC(=O)[C@H]23)cc1 228928544 YGFYSOXAKNINQE-NVXWUHKLSA-N 314.429 3.547 0 40 DHAB Cc1ncsc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 331009781 MWCZXLFMKZMGAU-FPMFFAJLSA-N 310.463 3.867 0 40 DHAB C[C@@H](NCc1ccccc1)c1nc([C@H]2CCCSCC2)no1 575414973 DCWNRCLMDRMAOA-HIFRSBDPSA-N 317.458 3.921 0 40 DHAB CC(C)(C)OC(=O)N[C@@H]1CCc2cccc(Br)c21 584600977 DPLVFRUWOVZHTL-LLVKDONJSA-N 312.207 3.961 0 40 DHAB CS[C@@H](C)Cc1nc(Cc2nsc3ccccc23)no1 585120213 AAZABZPZIUCNGM-VIFPVBQESA-N 305.428 3.564 0 40 DHAB Fc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1 14958 QKJJATCVDNNOIX-UHFFFAOYSA-N 314.404 3.650 0 40 DHAB CC[C@@H]1C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(F)cc1 89809 GXIPECVEQGBITQ-LSDHHAIUSA-N 304.361 3.969 0 40 DHAB COc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 263665 RHJGQUJEOIRXST-UHFFFAOYSA-N 309.287 3.895 0 40 DHAB Clc1ccccc1[C@@H]1C[C@@H](c2ccco2)n2ncnc2N1 350196 MLMQEBHBKVYIKT-STQMWFEESA-N 300.749 3.671 0 40 DHAB COc1ccc2cc(CNc3ccccc3Cl)c(=O)[nH]c2c1 421149 DQQDNUIGJMRKLK-UHFFFAOYSA-N 314.772 3.802 0 40 DHAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)cc1 531771 RZHBFOVSZPPSGC-IAGOWNOFSA-N 324.359 3.572 0 40 DHAB O=C(CSc1ccc2ccccc2n1)NCCc1ccccc1 2652680 KWMORGIMWPIUSD-UHFFFAOYSA-N 322.433 3.686 0 40 DHAB CCc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1 2692816 ZTNYHJFWFWJQDU-UHFFFAOYSA-N 324.359 3.530 0 40 DHAB CCCCC(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 3333562 QFCRSJLYNPPTFG-UHFFFAOYSA-N 317.357 3.673 0 40 DHAB OCc1c(-c2ccc(F)cc2)nc2sc3c(n12)CCCC3 4025534 MQCZPVPHMXAHSG-UHFFFAOYSA-N 302.374 3.573 0 40 DHAB S=C(NCc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 4038156 ZUMZUPIPEDPCJM-UHFFFAOYSA-N 321.449 3.601 0 40 DHAB biogenic O=[S@@](N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2 4717775 YYGBYQTWYLHQMN-CJKIBYJDSA-N 301.455 3.682 0 40 DHAB COCCNc1cc(C(C)C)nc2c(-c3ccccc3)cnn12 5307743 NNIXHGPWJWAQSQ-UHFFFAOYSA-N 310.401 3.578 0 40 DHAB CCc1noc(C)c1C(=O)OCc1nc2ccccc2s1 5391288 UQWOOONQVRMJDA-UHFFFAOYSA-N 302.355 3.512 0 40 DHAB CC(C)OP(=O)(NC(=S)c1ccccc1)OC(C)C 5732859 JQNWBPBVDCWKDM-UHFFFAOYSA-N 301.348 3.910 0 40 DHAB COc1cc(/C=C2/C(=O)N(C)c3ccccc32)cc(Cl)c1O 6431553 DWCMLBWWEXBESV-KPKJPENVSA-N 315.756 3.571 0 40 DHAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 7242380 SIRCWORAZNJPDW-CYBMUJFWSA-N 310.397 3.623 0 40 DHAB CSc1ccccc1NC(=O)CN(C)Cc1ccsc1 7926911 ZHJWNAOEVQWWMA-UHFFFAOYSA-N 306.456 3.541 0 40 DHAB CCc1ccc(NC(=O)c2nnn(-c3ccccc3)c2CC)cc1 8715173 DJYYFUXFEUGJFD-UHFFFAOYSA-N 320.396 3.644 0 40 DHAB O=c1cc(-c2ccc(F)cc2)[nH]n1-c1nc2ccccc2s1 8738046 SEJVWTWBWUMNRD-UHFFFAOYSA-N 311.341 3.581 0 40 DHAB CCOC(=O)Nc1cccc(C(=O)NC2CCC(C)CC2)c1 9549314 IAVJIAOTEVXYSA-UHFFFAOYSA-N 304.390 3.564 0 40 DHAB CCN(CCCNC(=O)c1ccc(C)c(F)c1)c1ccccc1 9920256 UKQAKDUXIJORBU-UHFFFAOYSA-N 314.404 3.781 0 40 DHAB Cc1cccc(-c2nn3c(CCc4ccccc4)nnc3s2)c1 10311858 XNIWGNYUZNUZCS-UHFFFAOYSA-N 320.421 3.946 0 40 DHAB Cc1cc([C@@H]2CCCCCN2C(=O)c2ccccc2F)no1 12185804 LSAPKYBGVZRXHJ-INIZCTEOSA-N 302.349 3.880 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc(Cl)c(F)c1 12186495 BHWRTOMGXHSKLK-YVEFUNNKSA-N 317.795 3.839 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1 12812733 WIPBJSLEJKQFIZ-MRXNPFEDSA-N 319.408 3.623 0 40 DHAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1Cc2ccccc2O1 12910963 VCCYBFMFWLGKIJ-AWEZNQCLSA-N 323.270 3.527 0 40 DHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1O 13005664 OTENROQMULTMLI-NSHDSACASA-N 305.761 3.760 0 40 DHAB Oc1ccccc1-c1nc(NC[C@@H]2CCCO2)c2ccccc2n1 13127597 PHPIKMLQXFBRGD-ZDUSSCGKSA-N 321.380 3.593 0 40 DHAB CCc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 20034131 QTDPGAPIMHMCPN-UHFFFAOYSA-N 322.777 3.628 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3F)c2c1 20081866 FGXIREOMCJAYFH-UHFFFAOYSA-N 311.360 3.980 0 40 DHAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(Br)c2)SC1 20745303 OZVZUODCNLJMGJ-LLVKDONJSA-N 324.203 3.596 0 40 DHAB O=C(NC1CC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 27769303 GXYRCQSBFSGNHK-UHFFFAOYSA-N 321.302 3.736 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1cnn(Cc2ccc(F)cc2)c1 27920674 BYFKNMUJYJDPTR-DHZHZOJOSA-N 321.355 3.722 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(OC)c3ncccc23)cc1 28293298 GLSRNSUFDPBOMB-UHFFFAOYSA-N 322.364 3.894 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 29515641 ZUSCTVPFPGBSSI-RYUDHWBXSA-N 300.377 3.800 0 40 DHAB O=C(O)c1cccc(NCc2cccc(Br)c2)c1 32204510 BZXMXSLGKKKTCE-UHFFFAOYSA-N 306.159 3.759 0 40 DHAB C[C@@H](OCCCNC(=O)c1ccc(Cl)o1)c1ccccc1 32907579 WCAARFBFJJFGGH-GFCCVEGCSA-N 307.777 3.831 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@H]1CCC2=O 35565357 OSVMTWJCGUFAOD-ZCAZGLKTSA-N 302.414 3.973 0 40 DHAB COc1cccc(COCc2ccc(Cl)cc2)c1C(=O)O 35973490 BKYMIJZZSNBDQW-UHFFFAOYSA-N 306.745 3.764 0 40 DHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H]1c1ccncc1 36661936 CZQGLMYLKXYXJX-SFHVURJKSA-N 319.408 3.708 0 40 DHAB CC[C@H](C)c1noc([C@H]2CCCN(C(=O)c3cccs3)C2)n1 41122614 FANSAYKBMSBJSJ-RYUDHWBXSA-N 319.430 3.664 0 40 DHAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 45825009 YLCIWFQDYOEKAV-CQSZACIVSA-N 301.361 3.560 0 40 DHAB CCC(=O)Nc1ccc(C)c(NC(=O)NCc2cccs2)c1 48259269 CJOGTGINSRCEHZ-UHFFFAOYSA-N 317.414 3.727 0 40 DHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)NCc1ccccc1 48344259 SQRAKSOMHWHHOH-AWEZNQCLSA-N 319.408 3.997 0 40 DHAB COc1c(C)cnc(CNC(=O)N(C)C2CCCCCC2)c1C 51755238 NYGBNNMIKRASFW-UHFFFAOYSA-N 319.449 3.571 0 40 DHAB Oc1nc(CN2CCC[C@@H]2C2CCCC2)nc2ccsc12 55927933 HHSBSFNPEKTCLI-CYBMUJFWSA-N 303.431 3.552 0 40 DHAB COc1ccc2nc(C)c(C(=O)N3CCC[C@@H](C)CC3)cc2c1 58174021 VGFIQFLIQHZIBK-CYBMUJFWSA-N 312.413 3.814 0 40 DHAB O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCCCC1 58330384 ZCVRZVLGWKLDCX-UONOGXRCSA-N 308.219 3.565 0 40 DHAB CCCc1noc([C@@H](C)Sc2nnc(SCC)s2)n1 65563238 IMWHIKFTYOKKAL-SSDOTTSWSA-N 316.477 3.839 0 40 DHAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1ccccc1F 69595077 JHJAQFDRKJEIFU-UHFFFAOYSA-N 313.307 3.618 0 40 DHAB O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccsc1 71911451 WYPXKMBAJMFCNZ-UHFFFAOYSA-N 313.382 3.760 0 40 DHAB CC[C@H](NCCNC(=O)c1ccccc1)c1cccc(Cl)c1 76092540 BGTDRYAJDUGXOL-KRWDZBQOSA-N 316.832 3.811 0 40 DHAB C[C@@H](NC(=O)c1ccco1)c1nc(-c2cc3ccccc3o2)no1 88337842 GUNOMEBTHNPLRW-SNVBAGLBSA-N 323.308 3.567 0 40 DHAB Cc1ccc(C)c(-c2noc(COc3ccc(C=O)cc3)n2)c1 89262921 XBDJFGATKICZKC-UHFFFAOYSA-N 308.337 3.745 0 40 DHAB C/C=C(\C=C\C(=O)NC1(c2noc(C)n2)CCCCCC1)CC 89914149 JUJOQIYXXZBRKO-PZYAVTITSA-N 317.433 3.956 0 40 DHAB CCCOc1ccc(Cl)cc1NC(=O)N[C@H](C)c1cn[nH]c1 89960319 HVQDECJEIRKSFV-SNVBAGLBSA-N 322.796 3.735 0 40 DHAB C[C@@H](c1cccc(Br)c1)N1CCN2CCCC[C@@H]2C1 94432240 XUBABOMOGAUIIY-XJKSGUPXSA-N 323.278 3.680 0 40 DHAB O=C(C[C@H]1CCCN1C(=O)/C=C/c1ccsc1)c1ccco1 95412385 LVGJJGGBCCOIRF-VBROQKIQSA-N 315.394 3.618 0 40 DHAB C[C@@H](CCn1cncn1)N[C@@H]1CCSc2ccc(Cl)cc21 95421072 IRRGBWPQHMTZHE-SMDDNHRTSA-N 322.865 3.537 0 40 DHAB CCOC(=O)CCCCOc1ccc(Br)cc1F 95733971 REQODQMCQAISAB-UHFFFAOYSA-N 319.170 3.700 0 40 DHAB CCc1ccccc1C(=O)c1cc(OC)c(OC)c(OC)c1 95916903 YUZBMJRTVBSDLA-UHFFFAOYSA-N 300.354 3.506 0 40 DHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]21 100184544 YCHQYZZUXVHAEQ-DTDBQYNISA-N 307.393 3.561 0 40 DHAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N(Cc1nccn1C(F)F)C1CC1 105430756 JIOSXHAYTZXQQE-JHJVBQTASA-N 323.387 3.596 0 40 DHAB Cc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c(C)n1 119132419 TUQLEPXPJRQWEK-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1O 140380220 YOWCIYVPNPBZHF-WDZFZDKYSA-N 301.729 3.547 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(OC(F)(F)F)cc1 148636519 OSCAKPCZJJSLEQ-UHFFFAOYSA-N 304.264 3.501 0 40 DHAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C 170387704 YQKZEGUAPCNVOS-HIFRSBDPSA-N 316.445 3.618 0 40 DHAB CO[C@@H](CC(=O)O)c1ccc(OCc2ccccc2C)cc1 217806724 HFCSZEWWLRLMHS-KRWDZBQOSA-N 300.354 3.736 0 40 DHAB COc1cccc(N(C)C(=O)c2cc(Cl)ccc2OC)c1 222953568 IUBWTAVFMSQACD-UHFFFAOYSA-N 305.761 3.634 0 40 DHAB COCCCNCc1cc(C)n(Cc2ccc(C)cc2)c1C 223663670 GTDCSJAEVOJONW-UHFFFAOYSA-N 300.446 3.588 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2ccc(C)c(C)c2)c(C)c1 224239905 CHQGYHQNFRVXPP-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB O=C(NCCCc1ccccc1)c1ccc2[nH]c(Cl)nc2c1 225977200 XUOOHIPRXZQAFW-UHFFFAOYSA-N 313.788 3.579 0 40 DHAB O=c1c(Cl)c(Cl)c(Cl)nn1-c1ccc(Cl)cc1 252484177 FQMWMPBNIOCWGN-UHFFFAOYSA-N 309.967 3.846 0 40 DHAB Nc1ccc(Nc2cccc(OC(F)(F)F)c2)c(C(=O)O)c1 314734602 NPJRXDMLVRTBSU-UHFFFAOYSA-N 312.247 3.609 0 40 DHAB Cc1ccc([C@H]2CCCN2C(=O)CC2(C(=O)O)CCC2)cc1C 352236326 BPVQNQGGPJFCEI-MRXNPFEDSA-N 315.413 3.612 0 40 DHAB C[C@H]1c2c(F)cccc2CCN1c1ccc(C(F)(F)F)nn1 545205811 NNUFDECOYBVURZ-VIFPVBQESA-N 311.282 3.758 0 40 DHAB CC[C@@H](CC(F)F)C(=O)N1CCCc2cc(OC)ccc2C1 565407097 MYUNWQZJLJAVIS-LBPRGKRZSA-N 311.372 3.651 0 40 DHAB Cc1ccccc1NC(=O)NCC[C@H](CCO)c1ccsc1 575608753 YATWKTFXKHIUJR-CQSZACIVSA-N 318.442 3.734 0 40 DHAB Cc1ccc(OC[C@]2(O)CCCN(C3CCCC3)CC2)c(C)c1 585280822 ARVPZJPSMRFDDE-FQEVSTJZSA-N 317.473 3.842 0 40 DHAB CC[C@H](C)CC(=O)N1CCC(c2ccc3cccnc3n2)CC1 655269058 GZTFYIZGBMQZQN-AWEZNQCLSA-N 311.429 3.772 0 40 DHAB CC(C)N1CCCCc2cc(C(=O)O)cc(Br)c21 1772715269 LSVQPJBARGJZTJ-UHFFFAOYSA-N 312.207 3.698 0 40 DHAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)s1 1776008275 BIEDABUCQCXCEG-GJZGRUSLSA-N 302.443 3.863 0 40 DHAB O=C(Nc1cccc(F)c1)N(Cc1ccco1)C[C@H]1CCCO1 257655 MCDKTGVDUNMRBR-MRXNPFEDSA-N 318.348 3.632 0 40 DHAB COc1ccc(-c2nn3c(-c4ccc(C)cc4)nnc3s2)cc1 525692 YVXNZZMDCWXKJM-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB COc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1 532346 KMMJDTDSFGFQSC-UHFFFAOYSA-N 308.366 3.528 0 40 DHAB CC(=O)[C@@H](C)Oc1c(-c2ccco2)oc2cc(C)ccc2c1=O 1910962 JXRJPXUNWALSCF-GFCCVEGCSA-N 312.321 3.718 0 40 DHAB Cc1cccc(CC(=O)N2CCN=C2SCc2ccccc2)c1 4119838 LVHDBUZXHZUVJM-UHFFFAOYSA-N 324.449 3.669 0 40 DHAB O=c1cc(C(F)(F)F)nc(SCc2cccc(Cl)c2)[nH]1 5155173 RCLFNZSEGNMJMP-UHFFFAOYSA-N 320.723 3.734 0 40 DHAB COc1ccccc1NC(=O)CSCc1ccc(F)cc1 5555991 WHPPQWRHOZSDEO-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB O=C(O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)O 5749598 MQEWUDJBRRDNJA-UHFFFAOYSA-N 300.354 3.551 0 40 DHAB O=C(O)Cc1sc(NCc2ccco2)nc1-c1cccs1 6085524 PBFFHYDTTPXBRT-UHFFFAOYSA-N 320.395 3.704 0 40 DHAB CCOc1c(Cl)cc(C(=O)NCc2ccccc2)cc1OC 6155238 AQZQNCXLCHYXEG-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB COc1ccc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1 6186237 DLWCKRQNGRGWIY-UHFFFAOYSA-N 307.353 3.508 0 40 DHAB Cc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)c(C)c1 6203532 GDTOESWXOUDNKS-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 6277610 PICDPYAKFGQVEJ-UHFFFAOYSA-N 320.392 3.586 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1C 6356052 XPSYBIYXGAGNCI-YESZJQIVSA-N 305.462 3.814 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3ccccc3n2)c1C 6589833 SNKNKWOHCAUYDT-UHFFFAOYSA-N 307.353 3.635 0 40 DHAB CCn1c2ccccc2c2cc(CNCCCN(C)C)ccc21 6871175 YRTWTPYDAHFNGA-UHFFFAOYSA-N 309.457 3.856 0 40 DHAB Cc1nnc(SCc2cc(-c3ccccc3)on2)n1C1CC1 8229794 XZPPACOHSCXUNC-UHFFFAOYSA-N 312.398 3.869 0 40 DHAB CCCCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 8612323 IKVPOOCLAYHDFK-UHFFFAOYSA-N 314.385 3.985 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccccc1F 8726128 WCZFNZCOISNUEP-GFCCVEGCSA-N 303.333 3.549 0 40 DHAB CCc1c(C)nc2nc(C)nn2c1Nc1ccc(Cl)cc1 12413168 POJORPKSMRCNLS-UHFFFAOYSA-N 301.781 3.701 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]21 12462221 QVXFPTRAUYUMRH-YJEJQGFLSA-N 307.393 3.561 0 40 DHAB Cc1ccc(OCCNc2ccccc2N2CCCC2=O)cc1 12527019 OQJMCIIPVDMUTK-UHFFFAOYSA-N 310.397 3.613 0 40 DHAB CSc1ccc(NC(=O)CNc2cccc(C(C)=O)c2)cc1 12532897 SNAFDQCJHSNELK-UHFFFAOYSA-N 314.410 3.662 0 40 DHAB Cc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 12611808 XDFBVZVAYLIKGF-QGZVFWFLSA-N 305.381 3.849 0 40 DHAB Cc1ccccc1CNC(=O)c1c(-c2ccccc2)noc1C 14241586 RCZKJDPXGSAMBZ-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB O=C(CCCOc1ccccc1)NCCSc1ccccc1 14401191 PJTUGDXUBUAXGH-UHFFFAOYSA-N 315.438 3.754 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc3cccnc23)c1 14867577 AKEILLAQXBVBFH-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1 21798358 PGPUQSFWZGFGKA-UHFFFAOYSA-N 320.392 3.579 0 40 DHAB Cc1nc(NC(=O)c2cnn(-c3ccccc3)c2C)sc1C 21974197 PCMOBWZLZPRUOO-UHFFFAOYSA-N 312.398 3.506 0 40 DHAB CCOC(=O)N1CCN[C@H](c2ccccc2)[C@@H]1c1ccccc1 22115382 IHGUOBVQHSJQOW-MSOLQXFVSA-N 310.397 3.531 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(F)cccc1F 22513971 NNESFLGSTFCVKL-AWEZNQCLSA-N 309.287 3.900 0 40 DHAB CC(=O)c1ccc(OCc2csc(-c3ccccn3)n2)cc1 29077742 BZUWHCLGDRIJIZ-UHFFFAOYSA-N 310.378 3.987 0 40 DHAB CC(=O)Nc1ccc(SCc2nnc(C(C)(C)C)o2)cc1 31843132 YQPIGTOTVLDVAA-UHFFFAOYSA-N 305.403 3.618 0 40 DHAB O=C(NCc1ccc(F)cc1)c1cnc(-c2ccccc2)s1 32930034 SVOLEDPMBBIUCM-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB CCCOc1ccc(S(=O)(=O)NCC(C)C)c2ccccc12 36638888 MBXSGPRINSMZMZ-UHFFFAOYSA-N 321.442 3.563 0 40 DHAB C[C@H](CCc1ccco1)NC(=O)N(C)Cc1ccc(F)cc1 40067884 XBMBFSUTUBAAJJ-CYBMUJFWSA-N 304.365 3.581 0 40 DHAB CCOc1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1 40121463 RTNQTAPEJWGVQC-UHFFFAOYSA-N 322.408 3.816 0 40 DHAB COc1ccc2c(C=O)c(C(=O)O)n(Cc3ccccc3C)c2c1 45795960 VHFGJRTYTLSVKR-UHFFFAOYSA-N 323.348 3.517 0 40 DHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1 45957743 PNJQYTMWUYFOAU-GFCCVEGCSA-N 323.348 3.502 0 40 DHAB CCCC(=O)Nc1ccc(CNCc2ccc(F)cc2F)cc1 47719689 CPVCMGHCROMXRC-UHFFFAOYSA-N 318.367 3.993 0 40 DHAB CCN(CC)CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1 48333589 XEXRANFHEIQQDO-JKSUJKDBSA-N 322.518 3.794 0 40 DHAB COCCCCNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 56731792 WBABAHYRDRBWCT-UHFFFAOYSA-N 317.389 3.507 0 40 DHAB COC(=O)c1ccc(CN2CCCSc3ccccc32)o1 60994417 BWQIJTBRAVIOCA-UHFFFAOYSA-N 303.383 3.569 0 40 DHAB CCNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213102 PTQBSVDEBVNJFT-AWEZNQCLSA-N 305.422 3.976 0 40 DHAB CCOC(=O)c1cc(Cl)cnc1Cc1ccc(OC)cc1 72233691 PJUKOHGRPFPNIU-UHFFFAOYSA-N 305.761 3.511 0 40 DHAB O=C(Nc1ccccc1)c1cc(-c2cc(Cl)ccc2O)n[nH]1 72238575 LXFCQNOATFCDHS-UHFFFAOYSA-N 313.744 3.688 0 40 DHAB O=C(NCCSc1ccccc1)c1cc(-c2ccccc2)on1 72238597 RYIYGBLGBNDEQE-UHFFFAOYSA-N 324.405 3.864 0 40 DHAB CN(Cc1cscn1)C(=O)Cc1cc(Cl)ccc1Cl 79328596 JGUHXINYKXBTRS-UHFFFAOYSA-N 315.225 3.651 0 40 DHAB CN[C@@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C(C)C 79437869 URQCCMFLWKGVAR-SJORKVTESA-N 304.434 3.564 0 40 DHAB O=C(c1ccc2c(c1)COC2)N1CCCCC[C@H]1c1ccncc1 84451952 JNCVEMNPLVXLJO-IBGZPJMESA-N 322.408 3.869 0 40 DHAB Cc1oc(-c2ccccc2)nc1Cn1cnc(C2CCC2)cc1=O 89702917 VTOLZGPDEHXWQI-UHFFFAOYSA-N 321.380 3.523 0 40 DHAB COc1ccc2cc(CN3CCC(n4ccnc4)CC3)ccc2c1 92648428 MDPMWBOJHKWXFE-UHFFFAOYSA-N 321.424 3.882 0 40 DHAB C[C@@H](c1cccs1)[S@](=O)Cc1noc(-c2ccccc2)n1 95428100 XHFNFEOSFZWVCM-MQJDWESPSA-N 318.423 3.808 0 40 DHAB COCCOc1cccc(CNc2ccc(-c3cnco3)cc2)c1 95428697 NSBLFMBEXSYWPA-UHFFFAOYSA-N 324.380 3.979 0 40 DHAB Cc1cc(-c2csc(CS(C)(=O)=O)n2)c(C)c(C)c1C 96417551 YQRIENCTKYBVNT-UHFFFAOYSA-N 309.456 3.588 0 40 DHAB CC(=O)N1CC[C@@H](CN(C)[C@@H](C)c2ccc(C(C)C)cc2)C1 97086147 CDILGGYSDIBFRO-RDJZCZTQSA-N 302.462 3.671 0 40 DHAB Clc1cc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)cc2c1OCCCO2 100699381 VYLMWURHPRRRPZ-QEJZJMRPSA-N 319.832 3.803 0 40 DHAB CC(=O)Nc1ccccc1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101268326 OZYKECDIWRBBAF-IFXJQAMLSA-N 314.429 3.686 0 40 DHAB CC1=CC[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 101492237 CKCAAVSMPGZWFA-WDEREUQCSA-N 310.180 3.839 0 40 DHAB COc1cc(Cl)c2[nH]c(-c3ccc(C(=O)O)cc3)nc2c1 216920279 VHAHQWYUEFMVFX-UHFFFAOYSA-N 302.717 3.590 0 40 DHAB CCCNC(=S)Nc1ccc(Oc2ccccc2OC)nc1 223872437 MKMKWGLCJZSKQE-UHFFFAOYSA-N 317.414 3.579 0 40 DHAB O=S(=O)(NCC1=CCCCC1)c1cc(Cl)ccc1Cl 223979826 AWJDVVWLIFQITM-UHFFFAOYSA-N 320.241 3.772 0 40 DHAB CC(C)CCNC(=S)Nc1nccc(-c2cccs2)n1 225185890 CJHRBAXTLWKNBU-UHFFFAOYSA-N 306.460 3.538 0 40 DHAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)CC)cc1Cl 225273108 ZKZAUNJDQCRXGY-VIFPVBQESA-N 314.838 3.602 0 40 DHAB O=C(Cc1ccccc1F)NCCCc1ccc(Cl)cc1 225448038 XSHCFVRJCQONEV-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB CC(=O)c1ccc(CCNC(=O)c2cccc(Cl)c2)s1 225670509 DWWQTLJLHYSWCP-UHFFFAOYSA-N 307.802 3.577 0 40 DHAB CCCCOc1ccc(C2=NN[C@@H]3CC(C)(C)CC(=O)[C@@H]23)cc1 228928514 YGFYSOXAKNINQE-WBVHZDCISA-N 314.429 3.547 0 40 DHAB Fc1cccc(Cc2cnc([C@@H]3CCCN(CC4CC4)C3)o2)c1 257275806 NQYRBWBRRFDEMP-MRXNPFEDSA-N 314.404 3.994 0 40 DHAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccco1 390825980 VWZSATGKOSKVKG-UHFFFAOYSA-N 311.366 3.501 0 40 DHAB CC(=O)c1ccnc(N2CCc3cccc(C(F)(F)F)c3C2)c1 528220840 PUGXACUUBDLRFD-UHFFFAOYSA-N 320.314 3.866 0 40 DHAB Cc1cc2c(cc1C)N(Cc1cc(-c3cnn(C)c3C)no1)CC2 585081763 XXUDWIWSJRBKCX-UHFFFAOYSA-N 322.412 3.563 0 40 DHAB CC(C)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc(O)n1 1535571799 QNIPVMROOIJTDZ-CYBMUJFWSA-N 324.424 3.890 0 40 DHAB CCCn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 200804 MLDGPBSUDILVNQ-HNNXBMFYSA-N 321.424 3.866 0 40 DHAB COc1ccc(-c2nc3ccccn3c2NC(C)(C)C)cc1O 411922 ATWBCLYKGHFOQH-UHFFFAOYSA-N 311.385 3.926 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C 481978 QEULWPNHMXIJAI-UHFFFAOYSA-N 309.321 3.780 0 40 DHAB Nc1ccc(C(=O)OCc2nc3c(ccc4ccccc43)[nH]2)cc1 911912 NSAYEUKNGVRKSB-UHFFFAOYSA-N 317.348 3.655 0 40 DHAB Cc1ccccc1-[n+]1nc(-c2ccccc2)nn1-c1ccccc1 1569721 KQTQDBLOHIGNRV-UHFFFAOYSA-N 313.384 3.519 0 40 DHAB CC(C)[C@H]1N=C(O)N(c2ccc(Oc3ccccc3)cc2)C1=O 2336457 ZAZCZCVYJDJRER-MRXNPFEDSA-N 310.353 3.764 0 40 DHAB O=C(CNc1ccc(C(F)(F)F)cc1)N1CCc2ccccc21 3339355 ADCVAELRHCJLHM-UHFFFAOYSA-N 320.314 3.707 0 40 DHAB O=S(=O)(CCCCOc1ccccc1)c1ccc(Cl)cc1 3470178 UBEURPQVXZFZGH-UHFFFAOYSA-N 324.829 3.973 0 40 DHAB C[C@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 4404509 YLQSFTKJKOZBBJ-LPHOPBHVSA-N 315.457 3.988 0 40 DHAB Cc1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1 4664984 ACSKBSURSROOSG-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1cc[n+](C)cc1 5002275 GHXIGFWHMWOIOY-UHFFFAOYSA-N 304.417 3.543 0 40 DHAB CC(=O)O/C(=C\c1nn(C(C)=O)c2ccccc12)c1ccccc1 5383520 RVGDVOAVBPDPIC-UNOMPAQXSA-N 320.348 3.758 0 40 DHAB COc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C 5540686 GJUUMSBLCVYKOU-UHFFFAOYSA-N 305.761 3.675 0 40 DHAB O=C(O)c1cc(/C=C/c2ccc3c(c2)OCO3)nc2ccccc12 5604880 NDZDROAMZLBUJM-FNORWQNLSA-N 319.316 3.832 0 40 DHAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc2ccccc12 5780108 QSQWNQVLIWNBEM-CYBMUJFWSA-N 324.405 3.593 0 40 DHAB O=c1c2ccsc2ncn1Cc1ccccc1C(F)(F)F 7976361 WUGDXGMQLQTOTD-UHFFFAOYSA-N 310.300 3.525 0 40 DHAB COc1ccccc1O[C@H](C)C(=O)Nc1cccc(SC)c1 8558259 IYUSLYMSICGKQD-GFCCVEGCSA-N 317.410 3.823 0 40 DHAB O=C(CN1CCc2ccccc21)Nc1ccccc1C(F)(F)F 8707873 VDFCPOGHBXVZOV-UHFFFAOYSA-N 320.314 3.707 0 40 DHAB CCN(Cc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 8754102 WMXUNKKSDIAOFM-UHFFFAOYSA-N 321.417 3.653 0 40 DHAB Cc1ccc(C(=O)CSc2nc(-c3cccs3)n[nH]2)s1 9451768 ZHQNKUUCJSWFJT-UHFFFAOYSA-N 321.452 3.878 0 40 DHAB CCc1ccc(OCC(=O)N[C@H](c2ccccc2)C2CC2)cc1 11207828 VKCUGNPYMHSNSM-HXUWFJFHSA-N 309.409 3.895 0 40 DHAB COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccccn2)c1 12085290 YBKLQPLDFPGHIL-SYNHAJSKSA-N 324.424 3.522 0 40 DHAB CC(C)Oc1ccc([C@H](NC2CCN(C)CC2)C(C)C)cc1 12322073 ICSMDEAEGFZUBX-LJQANCHMSA-N 304.478 3.855 0 40 DHAB Cc1cc(C)cc(C(=O)N[C@H](c2ccccc2)c2nccn2C)c1 12601496 NZHKSCJYSQVSAB-GOSISDBHSA-N 319.408 3.556 0 40 DHAB Cc1ccc2cc(-c3noc(-c4cccs4)n3)c(=O)[nH]c2c1 13482140 QONBBDHVWCCDBF-UHFFFAOYSA-N 309.350 3.615 0 40 DHAB COc1ccc(F)c(CN(Cc2sccc2C)C[C@@H](C)O)c1 13991667 IXOMUNIHWCAFFA-CYBMUJFWSA-N 323.433 3.587 0 40 DHAB Cc1cccc(C)c1NC(=O)Cc1cnn(-c2ccccc2)c1 14898962 BISPSFYCECKLDS-UHFFFAOYSA-N 305.381 3.670 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1 18115042 XFFLODYILVQVDN-UHFFFAOYSA-N 315.344 3.574 0 40 DHAB Cc1ccc(OCc2cn3ccccc3n2)c(Br)c1 20077704 GENHCJFYZAOTAY-UHFFFAOYSA-N 317.186 3.984 0 40 DHAB CC(C)COc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 20142066 LWYDYYROFVMQSD-UHFFFAOYSA-N 313.353 3.672 0 40 DHAB Cc1cc2nc(CO)n(Cc3ccccc3Cl)c2cc1C 20719134 FXALPWHWVMWLDQ-UHFFFAOYSA-N 300.789 3.847 0 40 DHAB CC(C)[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 21872486 YSDGWBULSCOYNG-CQSZACIVSA-N 301.430 3.689 0 40 DHAB O=C(OCc1ccc(Cl)nc1)c1ccc2ccccc2c1O 22408686 ZYEVDUSLDLSDNV-UHFFFAOYSA-N 313.740 3.951 0 40 DHAB Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1F 23076180 ZAIFZUUQZOEDCT-UHFFFAOYSA-N 312.344 3.735 0 40 DHAB Cc1ccc(Nc2nn(CN3CCCC3)c(=S)s2)cc1 23624762 JWMJFIVBIRYDQD-UHFFFAOYSA-N 306.460 3.779 0 40 DHAB Cc1ccc(F)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 25601162 AVCQJUORWIQVJU-LBPRGKRZSA-N 304.340 3.563 0 40 DHAB COc1ccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 26898199 LJOBMLNMLXVCET-CQSZACIVSA-N 306.406 3.507 0 40 DHAB CCOc1ncccc1NC(=O)c1ccc(CSC)cc1 27513599 VVWXVUCSTNEEIE-UHFFFAOYSA-N 302.399 3.596 0 40 DHAB COCc1cccc(NC(=O)CCc2nc3ccccc3o2)c1 29146951 JOZLAJJLZZKERO-UHFFFAOYSA-N 310.353 3.546 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CC1 30844096 UJGQBONSWQAOCV-BEFAXECRSA-N 309.409 3.859 0 40 DHAB O=C(C[C@@H]1C=CCC1)NCc1ccnc(Oc2ccccc2)c1 32930560 MPQFLCXSVXNPGM-OAHLLOKOSA-N 308.381 3.846 0 40 DHAB CC(=O)N1CCC(N[C@H](C)c2ccc(Cl)cc2Cl)CC1 34996001 TYPSIPXFCMDRKB-SNVBAGLBSA-N 315.244 3.655 0 40 DHAB Fc1ccc(Cl)cc1-c1nnc2sc(C3CCC3)nn12 36352812 IYYMDVQBPIXFBA-UHFFFAOYSA-N 308.769 3.913 0 40 DHAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1nnsc1Cl 40466278 OFAKUWBKLVASEQ-QMMMGPOBSA-N 324.862 3.994 0 40 DHAB CCc1ncc(C(=O)N[C@H](C)c2cc(C)ccc2OC)s1 48367639 NVHKSBLFOFNSIJ-LLVKDONJSA-N 304.415 3.514 0 40 DHAB CN(Cc1ccccn1)C(=O)CCCOc1ccccc1Cl 50587409 BGPNCGYUXWDMOX-UHFFFAOYSA-N 318.804 3.553 0 40 DHAB Cc1ccc2nc3c(c(C(=O)Nc4nncs4)c2c1)CCCC3 54194682 AGXZTAAFLKLHRB-UHFFFAOYSA-N 324.409 3.526 0 40 DHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1ccccc1Cl 55778688 NTUACRUKZQDMQO-MRXNPFEDSA-N 318.804 3.851 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)C[C@@H](C)CCc1ccccc1 58405144 GJSDUVSYGMAZNF-WMZOPIPTSA-N 303.446 3.530 0 40 DHAB COC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 66323351 YPGUXJUKKJBTFK-UHFFFAOYSA-N 324.302 3.620 0 40 DHAB C[C@@H](c1cccnc1)N(C)C(=O)NCC1(c2ccccc2)CC1 71841261 UBNGMGVHDLROBD-HNNXBMFYSA-N 309.413 3.516 0 40 DHAB CCc1csc([C@H]2CCCN(C(=O)c3ccoc3C)C2)n1 72282185 NRLVDRCGROICIS-LBPRGKRZSA-N 304.415 3.627 0 40 DHAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccco3)C2)n1 72297247 UVSWOGZJPDRWQA-GFCCVEGCSA-N 304.415 3.879 0 40 DHAB CC(=O)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359312 MUICXRZRGJFKLU-UHFFFAOYSA-N 315.804 3.523 0 40 DHAB 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c1ccc(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 250331 DBJGRJGQBVJKIT-OAHLLOKOSA-N 320.396 3.964 0 40 DHAB O=C1N[C@H](c2cc3ccccc3nc2Cl)Nc2ccccc21 381871 MZLCXFSVTREBNM-MRXNPFEDSA-N 309.756 3.742 0 40 DHAB O=C(Nc1cccc2ncccc12)c1ccc(Br)o1 556492 GGJKAJCJYIGCBA-UHFFFAOYSA-N 317.142 3.843 0 40 DHAB CC1(C)C=C(S(=O)(=O)c2ccccc2)Oc2ccccc2O1 1647299 VSOBNHIKOBGTCE-UHFFFAOYSA-N 316.378 3.552 0 40 DHAB COCc1nc2ccccc2n1CCOc1ccccc1Cl 2459664 ZCJURCUVGVEZBL-UHFFFAOYSA-N 316.788 3.915 0 40 DHAB C[C@@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1 2518263 WRTZIZLYEBYQAJ-MAUKXSAKSA-N 323.392 3.770 0 40 DHAB biogenic CCOP(=O)(CCCP(=O)(OCC)OCC)OCC 2563418 LJQJJGQRJQSYQN-UHFFFAOYSA-N 316.271 3.909 0 40 DHAB Cc1cccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1 2715833 NQWPPDTUTVDLBT-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCCC1 3012424 UTKHSTLMPHNJMB-UHFFFAOYSA-N 307.459 3.909 0 40 DHAB COc1ccc([C@@H]2NN=C(Cc3ccccc3)S2)c(OC)c1 4018007 YULTUKQZGPATEW-QGZVFWFLSA-N 314.410 3.595 0 40 DHAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cccs1 4330439 VSFVZMWRTYDMGX-UHFFFAOYSA-N 311.775 3.765 0 40 DHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ncc(C)s2)c1 9049717 GKYZSYPZOCARDH-UHFFFAOYSA-N 304.415 3.901 0 40 DHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1c[nH]c2ccccc12 9340315 VKWTZBKFGDAZGF-UHFFFAOYSA-N 321.355 3.761 0 40 DHAB Cc1nc2cc(NC(=O)c3ccc(-n4cccn4)cc3)ccc2o1 9456191 ZAQKNUHCSFATOV-UHFFFAOYSA-N 318.336 3.574 0 40 DHAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccncc1 9459844 IAKMWRJVRBSTKF-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB C[C@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)CCO1 11499860 LEIVSZIOILBWKL-JTQLQIEISA-N 317.435 3.977 0 40 DHAB O=C(O)c1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1 13166227 CNINCHOUXHZWLZ-UHFFFAOYSA-N 324.163 3.622 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 15340265 VIEPRQRYCMYQJH-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB CCCn1nc(NC(=O)C(C)C)c2cc3cccc(C)c3nc21 17822648 REGSKGNDGIWWAL-UHFFFAOYSA-N 310.401 3.897 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1 20454801 DOASFLVLWVOQGK-CYBMUJFWSA-N 323.845 3.829 0 40 DHAB COc1ccc(CCC(=O)NCCC2=CCCCC2)cc1OC 21002814 OQVMCLQYENEVQK-UHFFFAOYSA-N 317.429 3.643 0 40 DHAB Cc1noc(C)c1Cc1ccc(C(=O)NC2CCCCC2)o1 21088031 LDODYQWZXROBDA-UHFFFAOYSA-N 302.374 3.538 0 40 DHAB CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 23993770 GMMSBXVJTWWSJA-CQSZACIVSA-N 305.443 3.943 0 40 DHAB Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(CN(C)C)cc1 24794679 JSXRABLUFOWJAS-UHFFFAOYSA-N 321.424 3.719 0 40 DHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1cc(F)cc(F)c1 27371881 ZLZBCDRIIRTHQU-UHFFFAOYSA-N 324.758 3.960 0 40 DHAB O=C(NC1CC1)c1ccccc1-c1ncc(-c2ccccc2)o1 30057354 SPMGOYBUEKPBNA-UHFFFAOYSA-N 304.349 3.901 0 40 DHAB C[C@H](NC(=O)CCc1cccnc1)C12CC3CC(CC(C3)C1)C2 32738021 JCCFKAUTVHSNNX-UYIIGHAYSA-N 312.457 3.735 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 32738304 PVLQSYDZAWGWLS-KGLIPLIRSA-N 323.396 3.516 0 40 DHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)c(C)c(C)c1C 35170692 HUSWTGLHWDKJIX-UHFFFAOYSA-N 315.438 3.672 0 40 DHAB O=C1Nc2ccccc2/C1=C/c1cccc(Oc2ncccn2)c1 40283653 IQZCEJIUQCSCNB-VBKFSLOCSA-N 315.332 3.762 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@@H]21 40489604 BMGHSUVUWJEGGK-YOEHRIQHSA-N 311.429 3.677 0 40 DHAB CSc1ccccc1C(=O)c1ccc(C2OCCO2)cc1 43212632 PNTRNUDDZFUMTP-UHFFFAOYSA-N 300.379 3.685 0 40 DHAB CCN(CC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1 53798852 XDGVVTMPFNEKIT-UHFFFAOYSA-N 320.396 3.542 0 40 DHAB O=C(CSc1cccc2cccnc12)NCc1cccs1 57469092 MUAOQMVHLLINDB-UHFFFAOYSA-N 314.435 3.705 0 40 DHAB CC(C)(C)c1n[nH]cc1CNC1CCC(C(F)(F)F)CC1 65462991 GQXVPEMSJRARJA-UHFFFAOYSA-N 303.372 3.918 0 40 DHAB Cc1ccc2cccc(NC(=O)Cc3noc4ccccc34)c2n1 66462543 FUHYTEQLLOGKDQ-UHFFFAOYSA-N 317.348 3.866 0 40 DHAB COc1c(Cl)cc(NC(=O)c2cc(C)no2)cc1Cl 69562998 QTDLYTRTHZUGMR-UHFFFAOYSA-N 301.129 3.551 0 40 DHAB CCN(C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72212773 NUZXWIXDWUULAP-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB CCN(CC)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72212834 UMUKMRYXDNLCJZ-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB O=C(Nc1cccc(Oc2ccncc2)c1)c1cc(C2CC2)[nH]n1 72280917 RCDYTGFPYSATOQ-UHFFFAOYSA-N 320.352 3.727 0 40 DHAB CCc1csc([C@H]2CCCN(C(=O)CCc3ccco3)C2)n1 72282289 IRHLSAFSEAETNH-ZDUSSCGKSA-N 318.442 3.637 0 40 DHAB Cc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)n[nH]c2C)cc1 78586587 JUPCFIGJOWKSHG-SFHVURJKSA-N 311.429 3.631 0 40 DHAB Cc1sc(CN2CCOCC2)nc1-c1ccc(Cl)cc1 78594715 ZWGDJAILTVTVJS-UHFFFAOYSA-N 308.834 3.604 0 40 DHAB O=C(Nc1nccs1)N1CCCC[C@H]1Cc1ccccc1 84525706 ATRMAZLUGICPMN-AWEZNQCLSA-N 301.415 3.772 0 40 DHAB CCn1cnnc1[C@@H]1CCCN([C@@H](C)c2cccc(Cl)c2)C1 89310054 WJDABNWSGRIIQQ-DZGCQCFKSA-N 318.852 3.892 0 40 DHAB C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@@H]1c1ccncc1 95414603 FTXKCIOZKCNOMR-CRAIPNDOSA-N 316.445 3.873 0 40 DHAB CCSCc1ccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)cc1 95458563 SHGYTMJZUMHENZ-OAHLLOKOSA-N 315.442 3.640 0 40 DHAB Cc1nc(COC(=O)c2c[nH]nc2-c2ccccc2)sc1C 95964935 WQJBKVKCUWXRAQ-UHFFFAOYSA-N 313.382 3.507 0 40 DHAB CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(C(C)C)no2)CCO1 95994005 BREFPWNBMFRLEH-HIFRSBDPSA-N 308.422 3.512 0 40 DHAB Cc1csc([C@@H](C)CNC(=O)N[C@H](C)c2cc(C)oc2C)n1 97110434 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BLSUEDKUVBIVGS-NFBUACBFSA-N 323.521 3.891 0 40 DHAB Fc1cccc(Cc2cnc([C@H]3CCCN3c3ccncn3)o2)c1 257311644 UKKXWEASYLUKIK-MRXNPFEDSA-N 324.359 3.536 0 40 DHAB Cc1csc2ncnc(NCc3ccn(C4CCCC4)n3)c12 556784784 XZRSSMXSNPDDKU-UHFFFAOYSA-N 313.430 3.923 0 40 DHAB Cc1cc2c(C(=O)C(F)(F)F)c[nH]c2cc1Br 725239505 STBRJASLXOHDJK-UHFFFAOYSA-N 306.081 3.984 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H](CF)C1 1333557891 VRYWUDUJKMRSCB-CYBMUJFWSA-N 318.417 3.940 0 40 DHAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccccn1 127336 NSNNNXSZJMSSLS-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1cccnc1 164793 SQLKDTSDSZXDJB-GQCTYLIASA-N 307.180 3.718 0 40 DHAB Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2nc1C 217470 BDCCHNKFPWJINM-AWEZNQCLSA-N 305.381 3.738 0 40 DHAB CCn1c(-c2ccccc2)nn(CN2CCCCCC2)c1=S 274797 BHGSIVLYGKWVJK-UHFFFAOYSA-N 316.474 3.934 0 40 DHAB CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC 411950 UCIDXHXWKSCMMA-UHFFFAOYSA-N 311.341 3.596 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)c(Cl)c2)c1C 429512 ADJCTCLUQLTKIX-UHFFFAOYSA-N 308.740 3.879 0 40 DHAB CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C)c1CC 483733 FSRNOYXUUULAQA-UHFFFAOYSA-N 321.398 3.949 0 40 DHAB COc1cc(OC)c(C(=O)Nc2ccc(C)cc2C)cc1OC 1006479 VRRODQNOANLAOQ-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1N 1618456 UJCVZABZNYUPGN-UHFFFAOYSA-N 323.348 3.666 0 40 DHAB O=C(NCCCn1ccnc1)c1sc2ccccc2c1Cl 1802775 NSZMAPXYHRDBAA-UHFFFAOYSA-N 319.817 3.571 0 40 DHAB O=C(CCC1CCCC1)N1C(=O)OC[C@@H]1Cc1ccccc1 2391912 WWXZRKUEKAWUDO-INIZCTEOSA-N 301.386 3.547 0 40 DHAB Sc1nnc(Cc2cccc(Cl)c2)n1-c1ccccc1 2562049 IMUQZUCONZAZAA-UHFFFAOYSA-N 301.802 3.800 0 40 DHAB CCCCOC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1 4663855 PQZFAIWYJDDUDQ-UHFFFAOYSA-N 322.364 3.547 0 40 DHAB C=CNCCc1nc2ccccc2n1Cc1cc(C)ccc1C 5235850 FJUSSAGMMAZHMK-UHFFFAOYSA-N 305.425 3.977 0 40 DHAB O=C(Nc1ccnn1Cc1ccccc1)c1cccc(Cl)c1 5256277 JMDJTMXNDFOAGO-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB CC(=O)Nc1ccc(OCc2coc(-c3cccs3)n2)cc1 5347177 GOAQUXKDMPSPEE-UHFFFAOYSA-N 314.366 3.941 0 40 DHAB COc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1 5443310 VFXLQJCFNWSZLI-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(=O)Nc1cc(Cl)cc(Cl)c1 5693503 HMTMJPKOYIKJIV-YVZVNANGSA-N 316.184 3.520 0 40 DHAB Cc1c(Cl)ccc(S(=O)(=O)N2CCC(C)CC2)c1Cl 5749160 UBMHTMXBERTSTA-UHFFFAOYSA-N 322.257 3.722 0 40 DHAB Cc1cc(C)c(OC[C@H](O)CN(C)C2CCCCC2)c(C)c1 6008546 YUHHTAQBGVWCLG-GOSISDBHSA-N 305.462 3.616 0 40 DHAB O=C(C[C@@H](Cc1ccc(Cl)cc1)C(=O)O)Nc1ccccc1 6241093 HGBUHVFNDKCSSD-CYBMUJFWSA-N 317.772 3.612 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(F)cc1Cl 7405291 ZPCFLUDKJLGJHC-CMDGGOBGSA-N 311.765 3.892 0 40 DHAB CCCc1n[nH]c(=S)n1NCc1cccc(Cl)c1Cl 7601411 CQJSPERKINPFTB-UHFFFAOYSA-N 317.245 3.944 0 40 DHAB C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1 7777513 XLJLZZZXBUGALJ-BZNIZROVSA-N 301.773 3.521 0 40 DHAB CCc1ccc2c(CC(=O)Nc3ncc(C)s3)coc2c1 7800714 INGCCORLQRTQKV-UHFFFAOYSA-N 300.383 3.941 0 40 DHAB Cc1nc(C)c(C(=O)Nc2cccc(Br)c2)s1 7995394 GTUUQCGIHROXDE-UHFFFAOYSA-N 311.204 3.775 0 40 DHAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 8132511 ZJVVHLOPLGGQCN-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB COc1ccc(-c2cc(-c3cc(C)ccc3O)nc(O)n2)cc1 8655585 QOEGUJGHJXQZKN-UHFFFAOYSA-N 308.337 3.539 0 40 DHAB C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccn1 8723639 GDVHEDCKFMYIJQ-CYBMUJFWSA-N 323.421 3.625 0 40 DHAB CC(=O)OCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 9753623 DOZMAFQYMUTMQR-UHFFFAOYSA-N 319.744 3.634 0 40 DHAB Cc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1F 12853607 DCWNWUYQLCFWMB-UHFFFAOYSA-N 303.362 3.643 0 40 DHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1Cl 14017739 IFFAUGGEZPAWIC-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB Cc1ccc([C@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 15866342 ILSSQILQWIOEHV-ZWKOTPCHSA-N 319.412 3.745 0 40 DHAB COc1ccc2c(CC(=O)N3CCCc4ccccc43)coc2c1 16022963 JXLLZSIAUTVMPX-UHFFFAOYSA-N 321.376 3.963 0 40 DHAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 17246166 UKJMETMZDXSJDW-JTQLQIEISA-N 302.399 3.529 0 40 DHAB CCCN(CCC)c1ncnc2c1cnn2-c1ccc(F)cc1 17271713 YBXRITCHTAUBHP-UHFFFAOYSA-N 313.380 3.581 0 40 DHAB CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C 19501430 GLEYUGIMDNZXCC-QWFCFKBJSA-N 314.473 3.656 0 40 DHAB Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)N1CCN(C)CC1 19902625 VBJJVQACEPQLIQ-OAQYLSRUSA-N 319.452 3.813 0 40 DHAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(C(C)C)cc1 20137606 LTZFEDSQFJTZGG-UHFFFAOYSA-N 313.353 3.769 0 40 DHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc2cn[nH]c12 25712923 LNJOHSILFIWCRK-QGZVFWFLSA-N 322.412 3.659 0 40 DHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nc(C)ns2)c1 27750005 WRBCBHWRTMUQGP-NSHDSACASA-N 319.430 3.684 0 40 DHAB CCOc1cc2c(cc1NC(=O)CCc1ccco1)O[C@@H](C)C2 29129861 DYYUQBYMZRSFDI-LBPRGKRZSA-N 315.369 3.573 0 40 DHAB C[C@@H]1c2cccn2CCN1C(=O)Cc1cccc2ccccc12 30267219 FIJPFFHVGFHWEP-OAHLLOKOSA-N 304.393 3.787 0 40 DHAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(F)cc1 32027854 ARLRHRGKORQKCA-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB O=C(Cc1cccs1)Nc1cccc(Oc2cnccn2)c1 33136185 KRQPXIGLBZHMKR-UHFFFAOYSA-N 311.366 3.512 0 40 DHAB COc1ccc(OCCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 36350805 QVPVCBSHKWQBRW-IIDMSEBBSA-N 319.445 3.795 0 40 DHAB CCOc1ccc(-c2noc(CNc3ccccc3F)n2)cc1 40071580 NGOVBEPVSZRBIH-UHFFFAOYSA-N 313.332 3.887 0 40 DHAB O=C(Nc1cc(Cl)ccc1F)c1ccn(-c2ccccc2)n1 40090210 CUDAPASTQVOFDB-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB COc1cccc2cc(C(=O)Nc3ccc4cn[nH]c4c3)oc12 42383572 GXGAWEXPARWSQB-UHFFFAOYSA-N 307.309 3.570 0 40 DHAB C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 44103490 REGXXJKSFATHEY-ZDUSSCGKSA-N 323.396 3.918 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)no1 44633976 XSQMGHYNCJEZQN-INMHGKMJSA-N 314.360 3.589 0 40 DHAB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)NC(C)C 47375338 XOCQTTHYCKUQKS-UHFFFAOYSA-N 311.385 3.777 0 40 DHAB C[C@H](c1nc(-c2ccccc2)no1)N1CCc2ccccc2C1 48362223 OACSYFJQOZRRJU-CQSZACIVSA-N 305.381 3.856 0 40 DHAB Nc1nc(Cl)cc(Oc2ccc(Cl)c3cccnc23)n1 48545466 LRQSPGZTSQYTLU-UHFFFAOYSA-N 307.140 3.706 0 40 DHAB O=C(NCC1(c2cccs2)CCCCC1)c1ccncc1 49521068 VCXQGWCZPDNBKG-UHFFFAOYSA-N 300.427 3.775 0 40 DHAB C[C@H](OC(=O)C=C1CCCCC1)C(=O)N(C)C1CCCCC1 64128798 PLDZBPBFWXJEOL-AWEZNQCLSA-N 307.434 3.600 0 40 DHAB COCCn1ccc2cc(NC(=O)Cc3cccs3)ccc21 69349102 VCRBIRSFEKUHEL-UHFFFAOYSA-N 314.410 3.530 0 40 DHAB CCN(CC)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72212904 CEKCMQLFRDZOPO-GOSISDBHSA-N 323.440 3.905 0 40 DHAB CCCNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72213201 SVAROYXVZNULED-KRWDZBQOSA-N 309.413 3.881 0 40 DHAB CC(=O)N1CCCC[C@H]1c1cccnc1N1CCCCCC1 72216737 JJNZWRODKCTJQJ-KRWDZBQOSA-N 301.434 3.536 0 40 DHAB N[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 72225774 CRSAWGDBPMTJRA-NRFANRHFSA-N 315.420 3.692 0 40 DHAB Cc1coc(-c2ccc(C)c(NC(=O)Cc3ccccc3O)c2)n1 84185986 QNVKKYLWTCRDHL-UHFFFAOYSA-N 322.364 3.845 0 40 DHAB CCOc1ccc(-c2nc(-c3cccc(C)c3)n[nH]2)cc1OC 85384473 QZBARJHMDIXPPW-UHFFFAOYSA-N 309.369 3.854 0 40 DHAB CN(c1ccc(NC(=O)NC2CC2)cc1F)C1CCCCC1 89365344 LBKMLAAKGAPLJE-UHFFFAOYSA-N 305.397 3.879 0 40 DHAB CC(C)CN1CCC[C@H]1CNC(=O)CCc1cccc(Cl)c1 89840184 ZSTKYRCWJCOFAW-KRWDZBQOSA-N 322.880 3.509 0 40 DHAB O=C(c1ccon1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 91151541 MVPHUSDFDBNPSK-UHFFFAOYSA-N 324.302 3.713 0 40 DHAB CN(CCc1cccs1)C(=O)c1cc2ccccc2cc1N 95963172 GCCZDUBFJAYABH-UHFFFAOYSA-N 310.422 3.798 0 40 DHAB COc1ccc2sc(C(=O)NCc3nccs3)c(C)c2c1 96426227 YQDOGXPATASFJZ-UHFFFAOYSA-N 318.423 3.605 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2)CC1 100085802 OHLUWOBLCVPXBJ-IYBDPMFKSA-N 304.434 3.612 0 40 DHAB Brc1cccc(N/N=C2/C=Nc3ccccc32)c1 101106332 RXGUKSUXSWFQMI-JXAWBTAJSA-N 300.159 3.981 0 40 DHAB CC(=O)c1csc(C(=O)N2CCSc3ccccc32)c1 106595905 MBOWPJUDDMSZQZ-UHFFFAOYSA-N 303.408 3.703 0 40 DHAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)c1ccccc1Cl 107504613 QFVBRDJUFGIEAY-MRRJBJDNSA-N 308.853 3.638 0 40 DHAB COc1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1Cl 223035103 ZHODJMWFHZHOJY-UHFFFAOYSA-N 303.789 3.929 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2F)cc1 223286617 DLITUOFBGWVRBY-ZDUSSCGKSA-N 321.417 3.569 0 40 DHAB COc1ccc(CSCC(=O)NCC2CCCCC2)cc1 223433495 IZTJAQMOCHWUAT-UHFFFAOYSA-N 307.459 3.625 0 40 DHAB CCCCOCc1cc(C(=O)NC2CCCC2)ccc1OC 224433717 GEKZCVQEHQRBDW-UHFFFAOYSA-N 305.418 3.684 0 40 DHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1=CCCCC1 225098547 KZDFXPFTVQDCIS-OAHLLOKOSA-N 313.441 3.949 0 40 DHAB COc1cccc(O[C@@H](Cc2c(C)cc(C)cc2C)C(=O)O)c1 225136761 AROHXZIFISLORX-SFHVURJKSA-N 314.381 3.695 0 40 DHAB CCN(CC)[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225147750 VOUBYLYKHNNFJH-GOSISDBHSA-N 313.397 3.816 0 40 DHAB Cc1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 225452132 YMAIBNUNZMNCON-UHFFFAOYSA-N 322.437 3.667 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCCC[C@H]1C 245318932 XPSYBIYXGAGNCI-GVDBMIGSSA-N 305.462 3.814 0 40 DHAB CO[C@@H]1CC[C@H]2N(C(=O)c3cccc4ncccc34)CC[C@@]2(C)C1 257237490 HGRSPQXYPJWIEB-DJKXOVBDSA-N 324.424 3.655 0 40 DHAB COC(=O)[C@H](C(C)C)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260625427 ZQQPMXRHTNQWET-CJNGLKHVSA-N 319.445 3.985 0 40 DHAB Cc1cc(CNC(=O)N2CC(C)(C)C[C@H]2c2ccccc2)no1 563025401 VBEXCMLJBUCWHB-INIZCTEOSA-N 313.401 3.666 0 40 DHAB CCOCC[C@@H]1CCOC12CCN(Cc1ccc(F)cc1)CC2 585104160 GLVUSILFOSUBBR-QGZVFWFLSA-N 321.436 3.623 0 40 DHAB C1CCC([C@H]2COC(C3=N[C@@H](C4CCCCC4)CO3)=N2)CC1 1857783838 XPZJPKZOYRMNKE-HZPDHXFCSA-N 304.434 3.742 0 40 DHAB Cc1cccc(Cc2ccccc2C(=O)O[C@@H](C)C(=O)O)c1C 2060993771 RAELNHCXCIWYKN-AWEZNQCLSA-N 312.365 3.524 0 40 DHAB CCCc1nc(SCC(=O)OCC)c2c(C)c(C)sc2n1 414022 HRLCHMBSHSQJRI-UHFFFAOYSA-N 324.471 3.916 0 40 DHAB Cc1ccccc1-c1nnc2n1N=C(c1ccccc1)CS2 530508 AJXUJIFLPRCCLW-UHFFFAOYSA-N 306.394 3.612 0 40 DHAB OC[C@H](O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 1584265 YBBOKXSCIDZPQU-SFHVURJKSA-N 319.404 3.794 0 40 DHAB O=C(Nc1cccnc1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2186974 PTIZETSPHFSZGB-CHWSQXEVSA-N 307.180 3.608 0 40 DHAB CCOC(=O)CCCC(=O)c1cccc(CN2CCCCC2)c1 2515043 QLXHSPCLPLVJBY-UHFFFAOYSA-N 317.429 3.589 0 40 DHAB Fc1ccc(-n2ncc3c(NCc4ccccc4)ncnc32)cc1 4354645 DZEAVXCPWSHEIT-UHFFFAOYSA-N 319.343 3.567 0 40 DHAB CC(C)[C@H](COC(=O)c1ccc(N)cc1)N[C@@H]1CCCC[C@@H]1C 4825137 XTGSASTYPBHXBJ-QGTPRVQTSA-N 318.461 3.619 0 40 DHAB CC(C)[C@H](N)c1nnc(SCc2c(F)cccc2Cl)o1 5025296 SCOZYLDDGDZDCU-NSHDSACASA-N 315.801 3.810 0 40 DHAB CC[C@H](C)[C@H](Nc1nc(C)nc2c1oc1ccccc12)C(=O)O 5278324 VBWVTQZYKNGRSQ-ZANVPECISA-N 313.357 3.596 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCCC[C@@H]2C)c1 5559852 RPLRJQNMFZPNEH-IRXDYDNUSA-N 305.462 3.733 0 40 DHAB COc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCC2 6229857 JCIAGMVFNKEAGT-UHFFFAOYSA-N 320.439 3.615 0 40 DHAB O=C(NCC(F)(F)F)C1c2ccccc2Oc2ccccc21 6236829 VXBLYGOTUVGEGH-UHFFFAOYSA-N 307.271 3.603 0 40 DHAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 6787495 PHKQYMXUJWJNNT-UMNHJUIQSA-N 317.355 3.561 0 40 DHAB CN(CC(=O)Nc1ccccc1F)Cc1ccccc1Cl 6837097 WDNHFJUCROJOMW-UHFFFAOYSA-N 306.768 3.550 0 40 DHAB COc1ccccc1Nc1nnc(SC[C@H]2CCCO2)s1 6975477 ARQUIENJXYBHHP-SNVBAGLBSA-N 323.443 3.561 0 40 DHAB COc1ccc(SCC(=O)Nc2cc(C)ccc2OC)cc1 7133848 XSMKFFXYITUEDQ-UHFFFAOYSA-N 317.410 3.743 0 40 DHAB Cc1cc2nc(Sc3nnc(C)s3)c3ccccc3n2n1 7737790 SFLBSUXEUUJNBV-UHFFFAOYSA-N 313.411 3.502 0 40 DHAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cccnc1 8780126 XJGGCSNOMHJYDF-UHFFFAOYSA-N 313.357 3.525 0 40 DHAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 9726632 NMSABTLKWHBBAV-CYBMUJFWSA-N 321.417 3.818 0 40 DHAB C[C@@H]1CCCN(C(=O)CCn2c(C(F)F)cc3cccnc32)C1 12187266 HIYISJMNJLQQOT-GFCCVEGCSA-N 321.371 3.623 0 40 DHAB COc1ccc2cnc([C@@H]3CCCN(C(=O)C4CC4)C3)cc2c1C 12187832 JNEZHAUMPLRTGD-MRXNPFEDSA-N 324.424 3.668 0 40 DHAB Cc1ccc(C)c(NC(=O)c2cc(-c3cc(C)ccc3O)n[nH]2)c1 13121824 ILBLHNNMEZEFRQ-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB CCCCn1c(N)c(C(=O)N2CCCCCC2)sc1=S 13547189 QVQOHPCIYAMAFT-UHFFFAOYSA-N 313.492 3.678 0 40 DHAB Nc1ccc(Br)cc1C(=O)c1c(F)cccc1F 14989342 HUMJFBFHEXBOPB-UHFFFAOYSA-N 312.113 3.541 0 40 DHAB CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3C)ccc21 15729988 VVBYIINUAILXPN-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB COc1ccc(C(=O)N(C)Cc2ccc(C)cc2C)c(OC)c1 23040599 YCFPZAKVXDVMTE-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB CCCCNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 23746189 REIIBEVHNQDDER-UHFFFAOYSA-N 315.417 3.709 0 40 DHAB CCc1cc2c(Oc3ccc4c(c3)OCO4)ncnc2s1 24057080 KPHDRACDAQJMND-UHFFFAOYSA-N 300.339 3.775 0 40 DHAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccccc2C(C)=O)c1 28853015 ZRMNGNAKZUVSPV-GFCCVEGCSA-N 324.380 3.531 0 40 DHAB Cc1ccccc1-n1ncc(C(=O)NCc2ccco2)c1C1CC1 29735730 QNWXRPHJJQTMCA-UHFFFAOYSA-N 321.380 3.581 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1F 37108989 PJDMGBVPCPXCDR-SFHVURJKSA-N 324.330 3.879 0 40 DHAB CCCCCc1ccc(C(=O)O)cc1I 39951762 LKOWJBSYZWMNAZ-UHFFFAOYSA-N 318.154 3.722 0 40 DHAB CCOc1cccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 55492774 CAELSKLXJVSYJK-UHFFFAOYSA-N 300.383 3.667 0 40 DHAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)Nc1ccccc1 58181866 RTSREYAJIPRGGX-GOSISDBHSA-N 323.440 3.720 0 40 DHAB CCC(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 60389999 OUHRECPVLYLEEO-UHFFFAOYSA-N 317.477 3.512 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N(Cc2ccncc2)C2CC2)s1 65607081 QISHWZOJYWPSCG-CVEARBPZSA-N 312.438 3.746 0 40 DHAB Cc1cnn([C@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)c1 69454657 SEBKSEGUWPVJLG-HNNXBMFYSA-N 323.396 3.723 0 40 DHAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1 72343478 YGICTQDVZKMGGF-ZDUSSCGKSA-N 316.470 3.678 0 40 DHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cscn2)cc1 72351095 MQWGPKSBZQJUFX-INIZCTEOSA-N 316.426 3.909 0 40 DHAB COCc1cccc(CNC(=O)Nc2ccc3[nH]ccc3c2)c1 78441396 OSXXMGBGRQPFTJ-UHFFFAOYSA-N 309.369 3.636 0 40 DHAB CCSC[C@H](C)N(C)C(=O)c1ccc2[nH]c(=S)oc2c1 78966795 MIFHBGRAKQYNAP-VIFPVBQESA-N 310.444 3.704 0 40 DHAB Brc1cccc(Cn2ccnc2-c2cccnc2)c1 82739388 RXNNDPSMIADIIO-UHFFFAOYSA-N 314.186 3.756 0 40 DHAB Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCc3ccccc32)cn1 89575537 OYHPOPIYNONTNB-AWEZNQCLSA-N 314.816 3.893 0 40 DHAB CCO[C@@H](C)c1nc(COc2ccc3cn[nH]c3c2)cs1 89984948 NULPRJPSXVHKCX-JTQLQIEISA-N 303.387 3.696 0 40 DHAB COc1ccc(C)cc1[C@@H](C)NCC1(SC)CCOCC1 90113497 WPCHHTHFURVBNU-CQSZACIVSA-N 309.475 3.566 0 40 DHAB CCNCc1ccccc1NC(=O)c1ccc(SC)cc1 92231758 HVEMXXXFSLGPKP-UHFFFAOYSA-N 300.427 3.770 0 40 DHAB CCc1sc([C@@H](C)NC(=O)[C@H](C)C2CCOCC2)cc1C 95440054 OYGPIQPSILSWJL-CHWSQXEVSA-N 309.475 3.859 0 40 DHAB CCc1nc2cc(N[C@@H](Cc3ccccc3)C(=O)OC)ccc2o1 95942189 INYYCIYJPOYGSF-INIZCTEOSA-N 324.380 3.586 0 40 DHAB C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)c1ncc(C(C)(C)C)o1 95963255 WHIZERMQBRPMSY-SECBINFHSA-N 301.346 3.580 0 40 DHAB C[C@@H](NC(=O)Nc1ccc2sccc2c1)C1CCOCC1 97016027 ZINUVTKNWGKCKK-LLVKDONJSA-N 304.415 3.838 0 40 DHAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc2cc[nH]c12 97162359 GPGVGXCAAGSBKM-LBPRGKRZSA-N 324.428 3.919 0 40 DHAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccccc2)c2ccccc12 222626048 HBCYEIJUYIZTEA-CYBMUJFWSA-N 323.348 3.536 0 40 DHAB Cc1ccc(SCCCNC(=S)Nc2cccnc2)cc1 225589189 JLBKWXVSOQRLJX-UHFFFAOYSA-N 317.483 3.859 0 40 DHAB CO[C@H](C)c1cccc(NCC(=O)N[C@H]2CCCC[C@H]2C)c1 330465942 WJNFCUQYMAZEKD-CPUCHLNUSA-N 304.434 3.501 0 40 DHAB COc1cccc(NC(=S)Nc2ccc3snnc3c2)c1 409003333 ZNYLNMQSYRPVCH-UHFFFAOYSA-N 316.411 3.509 0 40 DHAB O=C(NC[C@@H](c1ccsc1)c1ccco1)[C@H]1CC=CCC1 675007817 SETSBGHFFGPKKJ-ZFWWWQNUSA-N 301.411 3.946 0 40 DHAB Cc1cccc(-c2cccc(C(=O)N3CC[C@](C)(C(=O)O)C3)c2)c1 1605318185 BELOUHNYYNYODR-FQEVSTJZSA-N 323.392 3.599 0 40 DHAB O=C(C1CCCCC1)N1CCc2[nH]c3ccc(F)cc3c2C1 135224 YHRBLBBUSHXYDL-UHFFFAOYSA-N 300.377 3.772 0 40 DHAB Clc1ccc(Cl)c(NCc2nnc3n2CCCCC3)c1 141832 CERQDLMTSCRBOI-UHFFFAOYSA-N 311.216 3.923 0 40 DHAB Cc1ccc(-n2c(SC(C)C)nc3c(c2=O)SCC3)cc1 213954 MFLYIQBCDCUCHO-UHFFFAOYSA-N 318.467 3.690 0 40 DHAB COC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 1903730 LBPUKEYLGWCFFS-MDZDMXLPSA-N 315.756 3.779 0 40 DHAB O=C(Cc1ccccc1F)Nc1nc2ccc(F)cc2s1 2629080 CGITWKAWFXDIQT-UHFFFAOYSA-N 304.321 3.756 0 40 DHAB CC(=O)c1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1 2654886 LROMAGJUGRDNIG-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB O[C@@H](COc1ccc2ccccc2c1)Cn1cnc2ccccc21 3141009 GSRDILKOJHGSBJ-QGZVFWFLSA-N 318.376 3.629 0 40 DHAB CN(C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 3289084 JEYBRFSQIVFTTM-OAHLLOKOSA-N 320.795 3.512 0 40 DHAB O=C1CSC(=O)N1Cc1ccc(-c2ccc(Cl)cc2)o1 3353369 QBKWBNNCZOCTNK-UHFFFAOYSA-N 307.758 3.795 0 40 DHAB O=C(CSc1ccccc1)NCCc1ccc(Cl)cc1 3604005 UVVNLAAEUURFOC-UHFFFAOYSA-N 305.830 3.791 0 40 DHAB O=C(C1CCCCC1)N1CCN=C1SCc1cccc(F)c1 4119848 SUEKLNWJVKEFGF-UHFFFAOYSA-N 320.433 3.837 0 40 DHAB C[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCCC1 5077464 SXYLANBCYKGVEY-LBPRGKRZSA-N 323.820 3.582 0 40 DHAB Cc1ccc(C)c(NC(=O)CCC(=O)CC(=O)C(C)(C)C)c1 5503995 AGUZVYKWWWFYKP-UHFFFAOYSA-N 303.402 3.597 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(F)c(Cl)c1 5582676 GBXAWKPAGILURV-QHHAFSJGSA-N 319.719 3.860 0 40 DHAB COc1ccc2ccccc2c1[S@@](=O)NCc1ccccc1 5703809 DXDKKWKQKPQVPW-QFIPXVFZSA-N 311.406 3.661 0 40 DHAB CCc1ccc2oc(C(=O)Nc3ccc(OC)cc3)cc(=O)c2c1 6811268 RICHQDUWMQPICC-UHFFFAOYSA-N 323.348 3.616 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccn2)c1C 7370668 CYWSCNKESAWMIS-LBPRGKRZSA-N 302.399 3.593 0 40 DHAB O=C(CCSCc1ccccc1)NCc1ccc(F)cc1 7685627 PUSSEJPYXOBRIK-UHFFFAOYSA-N 303.402 3.765 0 40 DHAB CCc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 7921882 IYRKLWILJIUMPY-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB c1ccc2c(CSc3nnc([C@@H]4CCCN4)o3)cccc2c1 7952135 YUBPAXVEDMECCL-HNNXBMFYSA-N 311.410 3.940 0 40 DHAB CCCCCC(=O)Nc1cc2[nH]c(=O)cc(COC)c2cc1C 8829087 SDGDWBIPWZFTRG-UHFFFAOYSA-N 316.401 3.502 0 40 DHAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 9387542 FVRMRXWQNDBNEH-UHFFFAOYSA-N 312.394 3.600 0 40 DHAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C 9462585 WCBKURNYLFHDIX-UHFFFAOYSA-N 314.429 3.703 0 40 DHAB CC[C@@H](C)[C@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1 9954938 KZWNJZNYNHCURL-DYVFJYSZSA-N 310.397 3.554 0 40 DHAB CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@H](C)CCc1ccccc1 12353989 XSCSLSHNONYAPT-DNVCBOLYSA-N 314.473 3.902 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3c(C)cccc3C)cc2c1 12493253 JAVKOMWCNFPMOZ-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)c2ccsc2)c(OC)c1 12890384 QTWRTDNYRZZPAE-OAHLLOKOSA-N 317.410 3.743 0 40 DHAB Cc1cc(C)cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 12993288 FYINASDMCOAKDL-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1F 13009621 GDQIUQOXAAZLAB-CQSZACIVSA-N 305.349 3.932 0 40 DHAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(Cl)c1 13038339 LPIQBFXXSMMTNJ-UONOGXRCSA-N 306.837 3.791 0 40 DHAB CCOc1ccc(OCC)c(NC(=O)c2cc(C)oc2C)c1 14190418 NUUIRNSCPTVATL-UHFFFAOYSA-N 303.358 3.946 0 40 DHAB CC(=O)Nc1ccc(OC(=O)Cc2coc3cc(C)ccc23)cc1 14627908 RIJVRVCNIIBEQY-UHFFFAOYSA-N 323.348 3.848 0 40 DHAB Cc1nc(CNCc2c(C)nn(-c3ccccc3)c2C)cs1 17318860 DMGHAVWEHPYKFJ-UHFFFAOYSA-N 312.442 3.544 0 40 DHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccncc2)cs1 18235505 UMKNKPWJVCQESV-UHFFFAOYSA-N 321.405 3.716 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736474 ABNSYQWNMYEXSM-NSHDSACASA-N 304.777 3.637 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(F)c(F)c1F 20029702 JUQRHJGVBHXFAR-CQSZACIVSA-N 305.299 3.911 0 40 DHAB c1ccc(-c2n[nH]c3c2cnc2cc4c(cc23)OCCO4)cc1 20848972 CHJZWWBADOYDAZ-UHFFFAOYSA-N 303.321 3.549 0 40 DHAB CCCC1(CCC)NC(=O)N(Cc2ccc(SC)cc2)C1=O 21332073 ZIOGAWGQGOQJGQ-UHFFFAOYSA-N 320.458 3.799 0 40 DHAB Clc1ccc([C@@H](c2ccccc2)N2CCCNCC2)cc1 22027833 RMTYMEIZBKIWGP-GOSISDBHSA-N 300.833 3.725 0 40 DHAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCc2ccccc2C1 23805920 FWOGMAKTQSNNFX-CYBMUJFWSA-N 323.371 3.995 0 40 DHAB COC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 29110728 VJZRBYIJSVVQSW-UHFFFAOYSA-N 323.392 3.924 0 40 DHAB Cc1ccc(C)c(NC(=O)Nc2nnc(CC(C)C)s2)c1 32611063 UVJMYXIRNWOYPP-UHFFFAOYSA-N 304.419 3.997 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)NCCC3=CCCCC3)cn2)n1 32709642 AZTKHHYSJDFNHF-UHFFFAOYSA-N 324.428 3.504 0 40 DHAB CC1CCN(c2cc(NC(=O)C(C)C)c(Cl)cc2N)CC1 45891804 GSFQBTHZODWURW-UHFFFAOYSA-N 309.841 3.753 0 40 DHAB Clc1cc(Cl)c(Cl)c(-c2nn3cnnc3s2)c1 45920149 QIOMSYXGXIINTA-UHFFFAOYSA-N 305.577 3.813 0 40 DHAB O=C(Cc1cccs1)N1CCc2cc(Br)ccc21 49303672 BRYPLTLYQYFRLN-UHFFFAOYSA-N 322.227 3.642 0 40 DHAB C[C@H](Cc1ccsc1)NC(=O)N1CCC[C@H]1c1ccncc1 50156612 WJNGWXBVJIEHIR-CJNGLKHVSA-N 315.442 3.621 0 40 DHAB Clc1cccc([C@H]2CCCN2Cc2nc(C3CC3)no2)c1 52077744 KMEYKGGOACLYRX-CQSZACIVSA-N 303.793 3.938 0 40 DHAB O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)[C@@H]1CCCO1 57084115 FQLWAXCIOPKOJT-GJZGRUSLSA-N 321.829 3.786 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)c2sccc2CC)cc1 58208942 MAANWLKNTFYAKE-UHFFFAOYSA-N 302.399 3.911 0 40 DHAB CC(C)(C)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 58325811 FMUXECHPIUAWBS-UHFFFAOYSA-N 302.349 3.675 0 40 DHAB Cc1ccc(NCn2c(=O)oc3ccc(Cl)cc32)c(C)c1 59474381 KNIKBYLOHMHKIW-UHFFFAOYSA-N 302.761 3.934 0 40 DHAB CC[C@H](Sc1nnc(C)s1)C(=O)c1ccc(OC)cc1 65475666 ZFLTUOJSFAUJCJ-LBPRGKRZSA-N 308.428 3.609 0 40 DHAB CC(C)CCN(C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F 65587551 GNRSVNMQZLFVKU-LBPRGKRZSA-N 314.376 3.593 0 40 DHAB Cc1csc(-c2ccc(NC(=O)N3CCSCC3)cc2)n1 71854025 LVECJMWLPZZNOF-UHFFFAOYSA-N 319.455 3.699 0 40 DHAB C[C@@H]1C[C@H]1c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71889991 FXYPRXFGSDONIP-BXUZGUMPSA-N 318.804 3.943 0 40 DHAB CCOc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72211868 QSSHSWTUFKMDBW-CQSZACIVSA-N 306.406 3.942 0 40 DHAB CC(C)(C)[C@H](O)CCNC(=O)c1ccc(-c2ccccc2)cc1 75157761 HASBJUHBBFODGT-GOSISDBHSA-N 311.425 3.881 0 40 DHAB Cc1cn2c(n1)[C@H](CNCc1cnc(C(C)(C)C)s1)CCC2 84257826 OZANBDTVRIXGDZ-ZDUSSCGKSA-N 318.490 3.613 0 40 DHAB O=C(CC[C@@H]1CCCO1)Nc1nnc(CC2CCCCC2)s1 84543952 PAVWSGUQNGSALR-ZDUSSCGKSA-N 323.462 3.559 0 40 DHAB O=C(O)c1c(Br)cc(Cl)cc1Br 90685556 NAKVBRWJUWGNKS-UHFFFAOYSA-N 314.360 3.563 0 40 DHAB c1ccc2[nH]c(NCc3ccnc(OC4CCCC4)c3)nc2c1 95447136 FAZFOLRGRMGDJS-UHFFFAOYSA-N 308.385 3.891 0 40 DHAB C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1)[C@@H](N)c1ccccc1 95965545 AGSKPWPTCXZGGR-KFKAGJAMSA-N 308.425 3.686 0 40 DHAB CCN1CCC2(CC1)C[C@@H](NCc1ccncc1)c1ccccc12 96090457 RZPKUFLFLMNXFY-HXUWFJFHSA-N 321.468 3.670 0 40 DHAB c1cncc(Nc2nc(-c3ccc4nsnc4c3)cs2)c1 96124471 XVZOSPJEICRBTO-UHFFFAOYSA-N 311.395 3.953 0 40 DHAB COC(OC)c1cc(Br)cc(Br)c1 96327195 QONDTXWLYJSIIB-UHFFFAOYSA-N 309.985 3.503 0 40 DHAB CC(C)c1nnc(CCC(=O)N2CC[C@H](C)CC[C@@H]2C(C)C)o1 96446322 UCTZMJBLZZJEKB-HUUCEWRRSA-N 321.465 3.799 0 40 DHAB CN(C(=O)Nc1ccccc1-c1ccncc1)[C@H]1CCSC1 96485058 KYQNKDGFSTZZOQ-AWEZNQCLSA-N 313.426 3.718 0 40 DHAB O=C(c1cccc(Oc2nccs2)c1)N1C[C@H]2CC[C@H]1C2 101194800 KJGSYZBPHSHBAH-AAEUAGOBSA-N 300.383 3.560 0 40 DHAB Cc1cc(C)c(NC(=O)CN(C)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1 107069492 YHIOUOJTZMJCDY-OKZBNKHCSA-N 314.473 3.918 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H]1C=NN=C12 118917954 ZOWUNTLIFRDPAL-PUDAYMCYSA-N 312.457 3.977 0 40 DHAB C[S@@](=O)Cc1cc(NC2Cc3ccccc3C2)ccc1Cl 132991361 HKHVKCXOOYJCFR-NRFANRHFSA-N 319.857 3.798 0 40 DHAB NC1=NN(c2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)C1 222547061 ASCYZYOOQDQFGK-AWEZNQCLSA-N 305.303 3.929 0 40 DHAB CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224905815 ZWVXKUNHRNHDCB-UHFFFAOYSA-N 322.364 3.767 0 40 DHAB Cc1cn(C)c([C@H]2CCCN2Cc2ccc3ccccc3n2)n1 257318205 VMYPTLYXPSPYRP-GOSISDBHSA-N 306.413 3.614 0 40 DHAB C[C@H]1CN1[P@](=O)(Oc1ccc2ccccc2c1)N1C[C@H]1C 299814199 ZGGMATWNKPRVSC-CGPAKSPXSA-N 302.314 3.735 0 40 DHAB O=C(COCc1ccccc1)c1cc(Br)ccc1F 390725342 DIDHZWULFOQBEE-UHFFFAOYSA-N 323.161 3.988 0 40 DHAB Cc1ccc(Cl)c(NC(=O)NCc2cccnc2C)c1C 529084269 XZQZRYLEWKGULS-UHFFFAOYSA-N 303.793 3.982 0 40 DHAB CC(=O)OC(C)(C)C(=O)c1cc(OC(F)(F)F)ccc1Cl 575361500 LTSIDFDPYXZFTM-UHFFFAOYSA-N 324.682 3.763 0 40 DHAB CC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)OC12CCCC2 39267 YZQFRJWBZIHTLL-UHFFFAOYSA-N 300.402 3.795 0 40 DHAB Cc1ccc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2c1 410883 HALKNMGMOBJKGX-UHFFFAOYSA-N 313.426 3.868 0 40 DHAB Cc1cccc(-n2ncc3c(N(C)C4CCCCC4)ncnc32)c1 426416 PUNCPSWOZYMXMD-UHFFFAOYSA-N 321.428 3.893 0 40 DHAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(C)s2)cc1 1330277 SHNPENRQKVTWIC-VIFPVBQESA-N 307.444 3.528 0 40 DHAB Ic1ccccc1CNc1ccccc1 1870449 AIKGDMPRMHKYLV-UHFFFAOYSA-N 309.150 3.903 0 40 DHAB COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 2048384 CFSCUZCDZNJHCM-HNNXBMFYSA-N 302.757 3.870 0 40 DHAB O=C1c2ccccc2N(Cc2cccc(F)c2)C2=NCCC[C@@H]12 2164281 KYHDTNXRRGWGOZ-INIZCTEOSA-N 308.356 3.837 0 40 DHAB CCOP(=O)(NC(=O)Nc1cccc(Cl)c1)OCC 2577778 QLPWGMCELJUAOU-UHFFFAOYSA-N 306.686 3.643 0 40 DHAB O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 3398629 NKQLFZUAVZXGBA-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)o1 3439938 BEYALJNSKSSGJF-UHFFFAOYSA-N 301.342 3.507 0 40 DHAB COc1ccc(C2=Nc3ccccc3S[C@@H](C(=O)O)C2)cc1 4137239 ZIZZXZLKHIZAPS-MRXNPFEDSA-N 313.378 3.765 0 40 DHAB C/C=C/[C@H]1OC(=O)N(C(=O)c2ccccc2)[C@@H]1Cc1ccccc1 4592734 JRNNRRDFNWJDGN-KGKRZZPESA-N 321.376 3.835 0 40 DHAB Cc1nc(SCC(=O)c2ccc[nH]2)n(C2CCCC2)c1C 5090150 NQHMKMQEQVUAMM-UHFFFAOYSA-N 303.431 3.918 0 40 DHAB Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 5704054 YBNIVWGKQFFNFO-LLVKDONJSA-N 312.394 3.680 0 40 DHAB COc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5720483 XAHAAWXDAQHWBU-UHFFFAOYSA-N 313.441 3.570 0 40 DHAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC 7968786 UQCIZPCBSMYFOA-UHFFFAOYSA-N 313.353 3.549 0 40 DHAB CNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8377344 XUWFZDYWGWEVBJ-UHFFFAOYSA-N 309.768 3.786 0 40 DHAB c1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)CCCCC3 8393952 PGAAIJTUZRMERO-LLVKDONJSA-N 303.431 3.551 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2ccccc2C1 8478759 OFXFWXTZZNNOHY-QGZVFWFLSA-N 313.372 3.568 0 40 DHAB O=C(Nc1cccnc1)c1ccccc1C(=O)c1ccccc1 9365398 JYQDIYJZSPHMMK-UHFFFAOYSA-N 302.333 3.565 0 40 DHAB Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2Cl)nc(C)n1 12017008 SKPQJMUCRZBYCW-JTQLQIEISA-N 321.833 3.866 0 40 DHAB CCOc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 12062454 QTDSJQHOTHIKEB-LLVKDONJSA-N 316.426 3.919 0 40 DHAB O=C(c1ccncc1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12180960 FKVCXWYWHMFSDY-ZNXRZULTSA-N 310.372 3.772 0 40 DHAB O=C(O)c1cc(-c2ccco2)nc2c1cnn2-c1ccccc1F 12396009 OYEKDHZVXUPMFI-UHFFFAOYSA-N 323.283 3.518 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12 12894368 ZXJIWVMOHZSXFK-UHFFFAOYSA-N 317.392 3.551 0 40 DHAB biogenic O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1 13166476 IADFUBCKYMMTCY-XCVCLJGOSA-N 301.729 3.690 0 40 DHAB CC[C@H](C)c1ccc(NC(=S)NC2CCN(C)CC2)cc1 13775554 QJKVYXBBYWHJTG-ZDUSSCGKSA-N 305.491 3.581 0 40 DHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(C)cc(C)c2)C1=O 14095778 KKPBLQCIDJYQKX-HXUWFJFHSA-N 322.408 3.661 0 40 DHAB CN(C)C1(CNC(=O)Nc2ccc(F)cc2)CCCCCC1 14136757 CYPOGPRDUNYKFJ-UHFFFAOYSA-N 307.413 3.602 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CN(C)Cc2ccccc2C)cc1C 15295283 CFGKSFZRFDHGFR-SFHVURJKSA-N 324.468 3.921 0 40 DHAB Fc1ccccc1COc1ccccc1CNC[C@H]1CCCO1 16449646 JJTVJSAJGMMLAR-QGZVFWFLSA-N 315.388 3.673 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)[C@@H](C)Oc3ccccc3)c2c1 18210666 ZNPMOAPIGKZUAD-OAHLLOKOSA-N 322.408 3.603 0 40 DHAB C[C@@H](Cc1ccccc1)NN1CCO[C@H](c2ccccc2)[C@@H]1C 19170580 KBRSLPYGHGQKNS-ZWOKBUDYSA-N 310.441 3.584 0 40 DHAB Cc1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)n1 19236105 KMZRBTDOSUWXCE-LJQANCHMSA-N 314.404 3.710 0 40 DHAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1F 22226609 BUKWQIKJHWRBKG-ZBEGNZNMSA-N 301.386 3.720 0 40 DHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(-n2cccn2)cc1 23269134 FGTQJFPOVCMROZ-IBGZPJMESA-N 317.392 3.680 0 40 DHAB O=C(CCc1ccsc1)Nc1cccc(Cn2ccnc2)c1 25172776 JMALSKWNLRPZFP-UHFFFAOYSA-N 311.410 3.564 0 40 DHAB O=C(OC[C@@H]1CC1(Cl)Cl)c1cc(Cl)c(Cl)[nH]1 26424357 VGMARUDSUYETLW-BYPYZUCNSA-N 302.972 3.672 0 40 DHAB Cc1cc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)o1 27916238 IFYCDRNMOMLTIM-UHFFFAOYSA-N 309.369 3.702 0 40 DHAB c1ccc2oc([C@H]3CCCN(CCc4ccncc4)C3)nc2c1 29824834 VLDDXDKGTNRGOK-INIZCTEOSA-N 307.397 3.645 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)C1CCCCC1 30758958 YRZPZBSJSGQYFF-KRWDZBQOSA-N 305.418 3.644 0 40 DHAB Cc1ccc2c(c1)nnn2C1CCN(Cc2ccccc2)CC1 35289475 YWCZLMBJTVKZRU-UHFFFAOYSA-N 306.413 3.577 0 40 DHAB Cc1cc2ccccc2nc1SCC(=O)Nc1nccs1 35310692 RDNYTWSRHTVADX-UHFFFAOYSA-N 315.423 3.731 0 40 DHAB Cc1nnc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)s1 40105512 DSGLBVNTLILMDE-SNVBAGLBSA-N 320.418 3.516 0 40 DHAB C[C@H]1SC2(CCCCC2)N(c2ccc(C(=O)O)cc2)C1=O 55175031 NLRNGSHORMZDFD-LLVKDONJSA-N 305.399 3.514 0 40 DHAB Cc1cccc(C(=O)NCc2cc(-c3ccccc3)on2)c1C 58168203 AYMKCNMTBXKHOU-UHFFFAOYSA-N 306.365 3.888 0 40 DHAB CCN(CCC(F)(F)F)C(=O)Nc1ccc(OC)c(C)c1 71857003 YLBDUJIIQVTIQJ-UHFFFAOYSA-N 304.312 3.810 0 40 DHAB CCN1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214454 QTUOZMJFDSLMRC-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB CCn1nc(C)c([C@H](C)NCc2ccc(-n3cccn3)cc2)c1C 95420348 XBHCFFVUNZWADV-AWEZNQCLSA-N 323.444 3.556 0 40 DHAB COC1CCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CC1 96104469 FDGAXNQHLLJMCW-HNNXBMFYSA-N 314.429 3.597 0 40 DHAB CO[C@@H](C)c1cccc(NC(=O)NC[C@]2(C)CCCS2)c1 96466887 KUZSSBSWXJLMRW-LRDDRELGSA-N 308.447 3.801 0 40 DHAB C[C@H](NCc1ccnc(SC(C)(C)C)c1)c1cnn(C)c1 97234053 IKHHBGOQRHWJSW-LBPRGKRZSA-N 304.463 3.557 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1F 104490996 PZGHOKMRQSGPRN-RHSMWYFYSA-N 308.356 3.901 0 40 DHAB Cc1nnc(CN[C@H]2c3ccccc3CCC2(C)C)n1C1CC1 183207052 BUNRDVVAFCJVJX-SFHVURJKSA-N 310.445 3.725 0 40 DHAB Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223527370 PUJJZOSUQCZVOX-INIZCTEOSA-N 323.436 3.958 0 40 DHAB O[C@@]12CCCC[C@H]1[C@H](c1c(Cl)cccc1Cl)NCC2 230041928 ADCRKOWUVHTZCP-COLVAYQJSA-N 300.229 3.949 0 40 DHAB biogenic COc1ccc(N=Cc2cc(Br)ccc2O)cc1 254381585 TYBHINZUFBWUMY-UHFFFAOYSA-N 306.159 3.914 0 40 DHAB Cc1cc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)ccc1-c1ccccc1 274024503 NDFPZZSWKIAVGK-MAUKXSAKSA-N 322.408 3.721 0 40 DHAB O=C(O)C[C@H]1CCCN1Cc1cc(Cl)ccc1OCC1CC1 576830054 NPPRJQXVGFPJCA-OAHLLOKOSA-N 323.820 3.568 0 40 DHAB CCOc1ccc(C(F)(F)F)cc1NC(=O)C(F)(F)F 75461 TYXNPGYWYLLYEM-UHFFFAOYSA-N 301.186 3.605 0 40 DHAB COc1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)cc1 119127 OCGPRPBAYSWXPW-UHFFFAOYSA-N 314.381 3.977 0 40 DHAB CN(C)c1cc(CSc2ccccc2)nc(-c2cccnc2)n1 1383074 DMPVTZITRGXFLB-UHFFFAOYSA-N 322.437 3.897 0 40 DHAB CC(=O)N1CCc2cc(NCc3ccc(Cl)cc3)ccc21 3154040 QEJNVJORHHVLEH-UHFFFAOYSA-N 300.789 3.861 0 40 DHAB O=C(CCOc1ccccc1)OCC(=O)c1cc2ccccc2o1 3255699 OZPTVWAAOZFFIW-UHFFFAOYSA-N 324.332 3.628 0 40 DHAB aggregator c1ccc2[nH]c(SCc3ccc(-c4nnco4)cc3)nc2c1 3293170 GVEZPHNCZIZTAY-UHFFFAOYSA-N 308.366 3.905 0 40 DHAB Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)c(C)o1 3463931 JWNRZDOUTWNAGO-UHFFFAOYSA-N 321.760 3.654 0 40 DHAB CCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1 4281473 LFDPHYZUEJFAEJ-UHFFFAOYSA-N 315.803 3.892 0 40 DHAB c1coc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1 4511819 GDFZGGNCDXROFT-UHFFFAOYSA-N 308.322 3.859 0 40 DHAB O=C(CSc1ccccc1F)c1ccc2c(c1)OCCO2 6402199 SZPIRCKPVXRJQX-UHFFFAOYSA-N 304.342 3.572 0 40 DHAB COc1cccc(NC(=S)NCCSc2ccccc2)c1 7500714 VYTDLDRICDWOMA-UHFFFAOYSA-N 318.467 3.774 0 40 DHAB O=C(c1ccc(N2CCCCC2)cc1)N1CCc2ccccc21 7505050 VOEHXEPPVHVIQL-UHFFFAOYSA-N 306.409 3.880 0 40 DHAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2cccc(Cl)c2Cl)C1 7811674 QYFXWAOZEOHFSL-PHIMTYICSA-N 315.244 3.910 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[C@H]1C=CCC1 7824806 PLEFIEDKJSKFFR-KRWDZBQOSA-N 323.440 3.521 0 40 DHAB CCOCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC 7951443 IAEZXGKGOPKLFD-UHFFFAOYSA-N 321.323 3.762 0 40 DHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCc2ccccc21 8308519 DPKCVKGFTOVJIU-NSHDSACASA-N 318.779 3.869 0 40 DHAB CCNc1nc(SCc2cc(C)on2)nc2ccccc12 8944970 OZGCJWDTFBAJFJ-UHFFFAOYSA-N 300.387 3.650 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(F)cc1F 9071015 RKPNJAPKVUGVGE-UHFFFAOYSA-N 323.343 3.612 0 40 DHAB C[C@@H]1CCc2n[nH]c(-c3nc(-c4ccccc4Cl)no3)c2C1 9421128 SMAGGSHSQFMUBJ-SECBINFHSA-N 314.776 3.905 0 40 DHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccccc1 9604736 RIPLZIWIILSKPA-NSHDSACASA-N 313.426 3.854 0 40 DHAB Cc1cc(C(=O)N[C@H](C)c2ccccc2)c2cnn(C(C)C)c2n1 10808741 MVFSSTHIRAHXAX-CQSZACIVSA-N 322.412 3.812 0 40 DHAB Cc1ccc(N2C[C@@H](c3nc(-c4ccccc4)no3)CC2=O)cc1 12416144 ZCLWMBHPQADVDB-HNNXBMFYSA-N 319.364 3.566 0 40 DHAB Cc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1C 12774235 JNDMWPPXZQIOOM-UHFFFAOYSA-N 312.394 3.950 0 40 DHAB CCCc1cc2c3c(c(=O)oc2cc1OC(C)=O)CCCC3 12902404 BULHBCKLYMDBBG-UHFFFAOYSA-N 300.354 3.550 0 40 DHAB biogenic Cc1[nH]c2ccccc2c1C(=O)CN1CCc2sccc2C1 13001781 QGBVQBYUZNTRER-UHFFFAOYSA-N 310.422 3.779 0 40 DHAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O)cc1 13166497 DIAPOTKYWYRQRZ-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 17119220 UVKIIHCFVDSVJM-UHFFFAOYSA-N 314.816 3.611 0 40 DHAB O=C(NCc1ccc(CN2CCCC2)cc1)Nc1ccccc1 18176841 YQXYJOSAILARHH-UHFFFAOYSA-N 309.413 3.604 0 40 DHAB COc1cccc2cc3c(=O)n(-c4ccc(C)c(C)c4)nc-3oc12 21147727 SOKJJWYZNXJXJP-UHFFFAOYSA-N 320.348 3.709 0 40 DHAB COc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1 21993105 OVCAVWYHNAHULD-UHFFFAOYSA-N 307.390 3.573 0 40 DHAB S=C(NCCOc1ccc(Cl)cc1)Nc1ccccc1 22271179 FVJKCXFECQRHIN-UHFFFAOYSA-N 306.818 3.705 0 40 DHAB CC(C)c1ccccc1OCCn1c(CO)nc2ccccc21 26474389 FFTSISZAXJDLFB-UHFFFAOYSA-N 310.397 3.731 0 40 DHAB Brc1cncc(Br)c1N1CCCCC1 32285425 RDIICJNJPKTMGN-UHFFFAOYSA-N 320.028 3.597 0 40 DHAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1F 32983387 FJJYWIGNFNBREC-NSHDSACASA-N 305.374 3.728 0 40 DHAB FC(F)(F)c1cccc(Cn2cc(Br)cn2)c1 38074875 DWOQMKZOPXCXIW-UHFFFAOYSA-N 305.097 3.713 0 40 DHAB in-vitro Cc1ccc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 40068581 MQYBYZPAEXFCKP-UHFFFAOYSA-N 311.406 3.855 0 40 DHAB C[C@@H](SCc1ccc(Cl)c(Cl)c1)C(=O)NC1CC1 45089890 OUWGXGNBBNIZEV-MRVPVSSYSA-N 304.242 3.894 0 40 DHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccn2)c1 45584595 XKLZXVRAFJGWRR-OAHLLOKOSA-N 312.413 3.597 0 40 DHAB CCC(CC)NC(=O)CN(C)Cc1csc2ccccc12 46089633 YKAHNLZXIWHUGH-UHFFFAOYSA-N 304.459 3.638 0 40 DHAB O=C(NCc1ccccn1)Nc1ccccc1OC1CCCC1 47599903 RXIPRKMBCYKCNY-UHFFFAOYSA-N 311.385 3.725 0 40 DHAB C[C@H](Cc1ccsc1)NC(=O)NCc1ccc(Cl)s1 48858694 YUCSFWJCSCFHFS-SECBINFHSA-N 314.863 3.893 0 40 DHAB CSc1nc(N)cc(Nc2cccc(C(F)(F)F)c2)n1 49467389 NDRPAHQUAGGOJO-UHFFFAOYSA-N 300.309 3.543 0 40 DHAB COCCCc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 50186566 WVPQOTFQMCJZBI-UHFFFAOYSA-N 314.410 3.539 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1 51354004 PVDJVEOCUVPITB-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1nc(S[C@@H](C)CCc2ccccc2)sc1CC(N)=O 54916036 WKRZBTQKCISMFV-NSHDSACASA-N 320.483 3.593 0 40 DHAB COC(=O)c1c(C)nn(-c2nc3c(Cl)cccc3s2)c1C 57351341 HASFLUUOBCWZFC-UHFFFAOYSA-N 321.789 3.539 0 40 DHAB CC(C)OCCCNC(=S)Nc1cccc(C(F)(F)F)c1 57770686 CDXFCXJVUICFHO-UHFFFAOYSA-N 320.380 3.807 0 40 DHAB CCOC1CCN(C(=O)C[C@@H](C)CCc2ccccc2)CC1 65563953 DDXIJCZOVFBBME-INIZCTEOSA-N 303.446 3.673 0 40 DHAB C[C@@H]([C@@H](C)NCc1nc(-c2ccccc2)cs1)n1cccn1 69372170 HVPSQQNRKUYCPR-KGLIPLIRSA-N 312.442 3.746 0 40 DHAB CCn1ccnc1SCc1ncc(-c2ccccc2OC)o1 72302556 GZYRYQXXNMYNPK-UHFFFAOYSA-N 315.398 3.859 0 40 DHAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H](C)c1ccccn1 79042859 QYJIKAATIDYKBC-MNOVXSKESA-N 322.767 3.519 0 40 DHAB Cc1cnn(-c2ccccc2)c1NC(=O)/C=C/c1cccc(F)c1 79055216 YLWLOICMRGQXNQ-ZHACJKMWSA-N 321.355 3.972 0 40 DHAB CCN(Cc1ccccn1)C(=O)Nc1ccccc1N(C)CC 84760943 KIUKFSKKSUIVNG-UHFFFAOYSA-N 312.417 3.592 0 40 DHAB CC(=O)NCCCSCc1ncc(-c2ccccc2Cl)o1 89962673 OZFNINQGGKMSMX-UHFFFAOYSA-N 324.833 3.754 0 40 DHAB C1=C(CN2CCC[C@@H](c3nccs3)C2)COc2ccccc21 92788737 SSIFKBCLOCMUMT-MRXNPFEDSA-N 312.438 3.799 0 40 DHAB CC(C)Nc1cccc(F)c1NCc1nnsc1Cl 95994908 OWAFYIDZIAEWAA-UHFFFAOYSA-N 300.790 3.763 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)NCC[S@](=O)C(C)(C)C 96422081 CSKSLINUZPOILF-JOCHJYFZSA-N 324.490 3.653 0 40 DHAB c1ccc(Oc2cccc(NCc3cnc4ncccn34)c2)nc1 97235397 SHFUPGBZWOOLBN-UHFFFAOYSA-N 317.352 3.529 0 40 DHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CNC1CCCCC1)C2 104489327 BLSUEDKUVBIVGS-BOLBYERCSA-N 323.521 3.891 0 40 DHAB Cc1[nH]c(=S)sc1CC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 106523006 FPCIRPXWYFEDKA-VGDYDELISA-N 310.488 3.598 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccncc1)[C@@H]1C[C@H]1c1ccco1 107318007 QNNIAOYVBCOICF-ZHALLVOQSA-N 318.376 3.684 0 40 DHAB CC(=O)NC1CCC(N[C@@H]2C[C@H]3CCCc4cccc2c43)CC1 195565179 QCSOGBZFFMJRGN-RMFNQSEZSA-N 312.457 3.588 0 40 DHAB Cc1cc(-c2ccc(/C=C\C(N)=O)o2)cc(C)c1Br 208757137 DBUWUTWZDOZVLB-XQRVVYSFSA-N 320.186 3.824 0 40 DHAB O=C(O)c1cc(OCc2c(Cl)cccc2Cl)ccc1O 216932600 CRWUQUVZCGHDRM-UHFFFAOYSA-N 313.136 3.976 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCCOc1ccccc1Cl 224037511 DRMQNYFINGNNJC-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 224681587 KIELFFKPNBZMFO-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB COc1cccnc1NC(=S)N[C@@H](C)c1cc(C)ccc1C 225539066 PDSNWTVXDPQTFB-ZDUSSCGKSA-N 315.442 3.755 0 40 DHAB COc1cccc(CCCNC(=O)c2ccc3c(c2)CCCC3)c1 225631808 LPXKNHUFUHFMEN-UHFFFAOYSA-N 323.436 3.937 0 40 DHAB CCC[C@@H]1O[C@@H]2c3cccc(O)c3OC(C)(C)[C@H]2C[C@H]1C(=O)O 257222225 DSLKIHABVORFLL-PAPYEOQZSA-N 320.385 3.510 0 40 DHAB Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1 408708437 HZJWRFBOCKIKDJ-UHFFFAOYSA-N 324.424 3.682 0 40 DHAB C(=C/c1nnc(-c2ccccc2)o1)\c1nnc(-c2ccccc2)o1 408720493 RHWFHCXZKQIMDO-VAWYXSNFSA-N 316.320 3.957 0 40 DHAB C[S@](=O)c1cccc(NC(=O)Nc2cccc3cc[nH]c23)c1 547829927 MYORUOHAHYMBNB-QFIPXVFZSA-N 313.382 3.549 0 40 DHAB Brc1cccc([C@@H]2CC(c3ccccc3)=NN2)c1 568154 FFAIPLOSAXUGER-HNNXBMFYSA-N 301.187 3.888 0 40 DHAB COC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2ccc3c(c2C1)CCC3 1646202 OYUWKPJKIIXVBL-JOCHJYFZSA-N 318.416 3.846 0 40 DHAB CC(C)=CC/C=C1/CC[C@@H]2C(=O)N(c3ccccc3)NC(=O)[C@H]2C1 4028885 LAQLAJSRFNHUCR-WKERXWPLSA-N 324.424 3.763 0 40 DHAB biogenic Cc1ccc(Cc2c(C)nc(NCc3ccccc3)[nH]c2=O)cc1 4736648 MSSXRQQFEOCTAL-UHFFFAOYSA-N 319.408 3.590 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=C(CO)C[C@@]43C)[C@@H]1CC[C@@H]2O 4743907 BWYWJEOODYEXFU-WDCLZLQXSA-N 304.474 3.919 0 40 DHAB COc1ccc(OC)c(NC(=O)Nc2c[nH]c3ccccc23)c1 5299976 GZPOUWXGNSFSPU-UHFFFAOYSA-N 311.341 3.829 0 40 DHAB CCc1cc(=O)oc2cc(OCC(=O)c3ccc(C)cc3)ccc12 5546834 ZVWQFODYYHSIPN-UHFFFAOYSA-N 322.360 3.926 0 40 DHAB Cc1ccc(C)c(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 6253094 QDWCZUOJQBOFDI-UHFFFAOYSA-N 322.452 3.883 0 40 DHAB CC[C@H](OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1 6355957 FWILNCFMKJDLDO-JFRXWTBNSA-N 305.462 3.778 0 40 DHAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(C)cc(=O)c23)cc1 6712023 LDYLDMSHFKQFDD-UHFFFAOYSA-N 315.376 3.998 0 40 DHAB CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 6761952 ZMDMVDLMIQOHEE-UHFFFAOYSA-N 321.417 3.602 0 40 DHAB Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccccc3)cnc12 7255976 ZENWQRUDVINYIS-UHFFFAOYSA-N 321.405 3.671 0 40 DHAB O=C(NCCOc1ccc(Cl)cc1)c1cc2ccccc2o1 7270104 FKXUENBPNFXSNK-UHFFFAOYSA-N 315.756 3.895 0 40 DHAB CCc1noc(C)c1C(=O)Nc1ccc(N2CCCCC2)cc1 8394092 LXDVXWNZMNLMJR-UHFFFAOYSA-N 313.401 3.788 0 40 DHAB Cc1nc2ccccc2c(C(=O)OCC(=O)c2ccccc2)c1C 8714789 SQIJMFCKOGJRGP-UHFFFAOYSA-N 319.360 3.891 0 40 DHAB O=C(CCc1ccccc1O)NCc1ccc(C(F)(F)F)cc1 8777642 YJRUGQRFRWIJLJ-UHFFFAOYSA-N 323.314 3.660 0 40 DHAB O=C(Nc1nc2ccccc2s1)c1cc2ccccc2oc1=O 8996032 PCZASUUHRHFZAJ-UHFFFAOYSA-N 322.345 3.655 0 40 DHAB CC(C)N(C(=O)Cn1c(C(F)F)cc2cccnc21)C(C)C 12220161 USQPHNUBQHRJQH-UHFFFAOYSA-N 309.360 3.619 0 40 DHAB CC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(C)c1C(C)=O 12408277 DUFQTMQGHIJQTJ-UHFFFAOYSA-N 311.168 3.893 0 40 DHAB C[C@@]12C[C@@H](NC(=S)N1CCc1ccccc1)c1ccccc1O2 12415482 IQDZSSFZPRHATQ-VQIMIIECSA-N 324.449 3.659 0 40 DHAB O=C(c1c(F)cccc1Cl)N1CCO[C@@H](c2ccccc2)C1 12441510 AKUJXDKKHXBCLB-OAHLLOKOSA-N 319.763 3.693 0 40 DHAB CCOCc1c(C(=O)Nc2cc(C)ccn2)oc2ccccc12 12553974 BPWWCRLYESOGLN-UHFFFAOYSA-N 310.353 3.925 0 40 DHAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 12776891 CICJVJJVVVOJLE-MEDUHNTESA-N 316.351 3.569 0 40 DHAB Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 13102095 BVAUQWGJRDJXQD-GOSISDBHSA-N 324.424 3.697 0 40 DHAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1C 13582338 QXTIBIGNJGMHOC-UHFFFAOYSA-N 315.369 3.663 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 13710727 KXZRBKUKXIOQKG-LBPRGKRZSA-N 305.324 3.988 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc(F)cc3)cc2)n1 14467060 RMXBUENKQDNPMT-UHFFFAOYSA-N 310.328 3.847 0 40 DHAB Cc1ccc(SCCNC(=O)Cc2ccc(F)cc2)cc1 14803340 ZNJLQANJNFEABX-UHFFFAOYSA-N 303.402 3.585 0 40 DHAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1C[C@@H](C)C[C@@H](C)C1 20733816 GNXKVWAKDKEQPL-BWACUDIHSA-N 300.402 3.580 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1cc(Cl)c(Cl)[nH]1 23621351 BQCIZVKSJPUKRD-MRVPVSSYSA-N 313.184 3.821 0 40 DHAB O=C(Cc1csc(-c2ccco2)n1)N1CCc2ccccc21 24375464 POUMMBDIRZLQJP-UHFFFAOYSA-N 310.378 3.535 0 40 DHAB Cc1ccc(C)c(NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 25596016 YALZWUPJFDDEAI-AWEZNQCLSA-N 300.377 3.732 0 40 DHAB COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1F 26686622 FMYYHOIKDMDTLV-JLQUWAJJSA-N 305.393 3.788 0 40 DHAB C[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H](C)O1 26807623 LDYHDDUMKHKVKO-TXEJJXNPSA-N 306.793 3.604 0 40 DHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nccs3)s2)o1 31208173 UGERNCSPXDCHJA-UHFFFAOYSA-N 305.384 3.729 0 40 DHAB COc1cccc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1OC 32716604 MSANAUHGEBQFEO-OFQRWUPVSA-N 319.445 3.577 0 40 DHAB C[C@@H](SCc1ccccc1)C(=O)NCCc1ccc(F)cc1 40033985 KSUZICYLQVUSHO-CQSZACIVSA-N 317.429 3.806 0 40 DHAB CC(C)C[C@@H](CO)N[C@H](C)c1ccc(Br)cc1 40773597 FELQYYJAGCMDJT-RISCZKNCSA-N 300.240 3.507 0 40 DHAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(F)c(Cl)c1 43212662 FZBJQVXBLYOMIY-UHFFFAOYSA-N 306.720 3.756 0 40 DHAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(-c2cccnc2)on1 46899673 FKPNYJJRMVHEAO-MRXNPFEDSA-N 319.364 3.544 0 40 DHAB CC(C)(C)c1ccc(C(=O)NC[C@@H](O)c2cccs2)cc1 49912687 BBAHGMYURHTXMY-CQSZACIVSA-N 303.427 3.509 0 40 DHAB O=C(Nc1ccc(Oc2cnc3ccccc3n2)cc1)C1CC1 54060358 FEHMAMPYKRKFAJ-UHFFFAOYSA-N 305.337 3.771 0 40 DHAB CN(C(=O)C1=NO[C@@H](c2ccccc2)C1)[C@H]1CCc2ccccc21 54365678 SFIFAMLYYDJCIO-RBUKOAKNSA-N 320.392 3.650 0 40 DHAB CC(C)(C)c1nnc(NC(=O)C(F)(F)c2ccccc2)s1 55977248 DJLAJAIRFPDDRV-UHFFFAOYSA-N 311.357 3.566 0 40 DHAB CCn1cc(-c2nc(-c3cccs3)no2)c(=O)c2ccccc21 57354811 UBZUXOSQPRCVKL-UHFFFAOYSA-N 323.377 3.800 0 40 DHAB O=C(NCc1cc2ccccc2[nH]1)NCc1cc2ccccc2[nH]1 58157146 BBOAWIBNLLCDBM-UHFFFAOYSA-N 318.380 3.649 0 40 DHAB Cc1c([C@H](C)NC(=O)C[C@@H](C)CCc2ccccc2)cnn1C 58218997 STGGLMJSJVYHFF-GJZGRUSLSA-N 313.445 3.565 0 40 DHAB FC(F)(F)COc1cccc(CSc2nncs2)c1 59833270 MBSKYXDLKYWBGU-UHFFFAOYSA-N 306.334 3.772 0 40 DHAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)c1ccccc1F 65478847 UZAHCUBBTODLPW-CYBMUJFWSA-N 318.440 3.599 0 40 DHAB O=[S@@](Cc1ccccc1)Cc1coc(-c2ccc(F)cc2)n1 69457406 ZJHQAHOTCRLVRR-JOCHJYFZSA-N 315.369 3.930 0 40 DHAB CC[C@@H](C)CN(CC)C(=O)CCCc1nc(C(C)(C)C)no1 75093117 SKOKZFHJWQOTPG-CYBMUJFWSA-N 309.454 3.584 0 40 DHAB C[C@@H](O)CCN(C)C(=O)Nc1ccc(SC2CCCC2)cc1 80168033 ZEVIRRUYCPFIHV-CYBMUJFWSA-N 322.474 3.956 0 40 DHAB COCc1nc(CN2CCC(=Cc3ccccc3)CC2)cs1 83914960 XZNISOHUFNPCID-UHFFFAOYSA-N 314.454 3.969 0 40 DHAB O=S(=O)(CCCc1ccccc1)Cc1ccc(Cl)cc1 84528634 BJPILLJTZFCWNY-UHFFFAOYSA-N 308.830 3.888 0 40 DHAB Cc1ccc(CN[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 89633230 AOCYPHLCTCQHHF-MSOLQXFVSA-N 324.468 3.611 0 40 DHAB c1cncc(-c2cccc(CN3CC[C@@H]4OCCC[C@@H]4C3)c2)c1 93505916 FWHWKMMKKANTJE-UXHICEINSA-N 308.425 3.750 0 40 DHAB C[C@H](NC1(CN[C@H](C)c2cnccn2)CCCC1)c1ccccc1 95422916 GCYSLJZYIUAWLE-DLBZAZTESA-N 324.472 3.791 0 40 DHAB C[C@H](NC(=O)c1csc(Cl)n1)c1ccc(F)c(F)c1 95945641 JEGPCJDZGGGPTI-LURJTMIESA-N 302.733 3.566 0 40 DHAB CSc1ccc([C@H](C)NCCc2c(C)nn(C)c2C)cc1F 95967214 GMWWSLSUSNXSRH-NSHDSACASA-N 321.465 3.791 0 40 DHAB O=C(Nc1cccnc1)N1CC[C@H](CSc2ccccc2)C1 96434127 ZVEHRBIXLKEDFX-AWEZNQCLSA-N 313.426 3.728 0 40 DHAB C[C@@H](Nc1cccc(C(=O)N2CCCC2)c1)c1nccs1 97045836 FPDJLADXSXHOAF-GFCCVEGCSA-N 301.415 3.552 0 40 DHAB Cc1cc([C@@H](C)NC2CCN(c3nccs3)CC2)c(C)o1 97237300 RDLHDNRWGDJPFB-GFCCVEGCSA-N 305.447 3.673 0 40 DHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113951897 SLWXHCPVXFBNLL-QBPKDAKJSA-N 301.430 3.766 0 40 DHAB CC(C)(C)OC(=O)[C@@H](N)CCCCCCCCCCCN 115824208 GJHDZMCLHCJVDO-HNNXBMFYSA-N 300.487 3.515 0 40 DHAB CC(C)(C)OC(=O)Nc1c(C(=O)O)cccc1C(F)(F)F 196927915 VHIFRFRIKSJWAW-UHFFFAOYSA-N 305.252 3.751 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CCCC[C@@H]1C 216864569 ZWOLKIKNKHACAC-ZDUSSCGKSA-N 303.450 3.941 0 40 DHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCc2ccccc2)c1 219543310 VMFZZLBJYOITEC-KRWDZBQOSA-N 311.425 3.820 0 40 DHAB CCOc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 219954328 QHZPJEDPWUESHB-UHFFFAOYSA-N 301.361 3.587 0 40 DHAB CCc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 222342101 KMYQSMSZAJOVQP-NJYVYQBISA-N 310.485 3.579 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)NC[C@H](C)c1ccccc1 224419000 HSRZUJOLLFXDIG-JKSUJKDBSA-N 311.425 3.936 0 40 DHAB C[C@@H](Cc1cccs1)N(CC(=O)O)Cc1ccc(Cl)cc1 225475599 XJAVMEMWMUVJQJ-LBPRGKRZSA-N 323.845 3.919 0 40 DHAB CC[C@H](OC[C@H](O)CN1[C@H](C)CCC[C@H]1C)c1ccccc1 253372584 FWILNCFMKJDLDO-RWQQGDIJSA-N 305.462 3.778 0 40 DHAB Fc1ccccc1Cc1cnc([C@H]2CCCN2c2ccncn2)o1 257319727 VTUZWQBQDSLVHS-MRXNPFEDSA-N 324.359 3.536 0 40 DHAB Cc1cccc(-c2cnc3n2CCN(Cc2cccc(C)n2)C3)c1 306135727 OZAUYTRUZMIKCG-UHFFFAOYSA-N 318.424 3.578 0 40 DHAB Fc1ccc2c(C3CCN(C[C@@H]4CCCOC4)CC3)noc2c1 352029936 YGXBIBNDJDFJLI-ZDUSSCGKSA-N 318.392 3.573 0 40 DHAB COc1cc(C)c(/C=C2\SC(=O)N(C)C2=O)cc1C(C)C 408811117 LAXYMQGIPMPVDX-ZSOIEALJSA-N 305.399 3.793 0 40 DHAB O=C1NCCCCCCOc2ccccc2Oc2ncccc21 643563853 BSMXIWOEIDFFIL-UHFFFAOYSA-N 312.369 3.557 0 40 DHAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCC[C@@]31C2 2037844014 KWKUVULHULPXIP-PVYRDQNTSA-N 307.478 3.625 0 40 DHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCC1 29868 JAQFHSDXNIAHBZ-UHFFFAOYSA-N 304.777 3.976 0 40 DHAB Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)cc1 190332 PKRQXGVLPHIZPS-UHFFFAOYSA-N 315.442 3.912 0 40 DHAB O=C(Nc1ccccc1NC(=O)c1cccnc1)c1ccccc1 411478 BBDPVNYDHUXXOG-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C)c(C)c1 507164 BFKJLCFWWUTAIT-QGZVFWFLSA-N 313.353 3.602 0 40 DHAB O=C1c2ccccc2C(=O)N1OCc1cc(Cl)cc(Cl)c1 1393250 WEUQHXWTJZCVPQ-UHFFFAOYSA-N 322.147 3.721 0 40 DHAB CC[C@H](C)[C@H](C(=O)OC1CCN(CC)CC1)c1ccccc1 1726499 UBWAHRVZHIOXEQ-YJBOKZPZSA-N 303.446 3.844 0 40 DHAB CSc1cccc(NS(=O)(=O)c2ccc(C)cc2C)c1 2627541 LJDCOVRRFHAPGK-UHFFFAOYSA-N 307.440 3.826 0 40 DHAB COc1ccc(C(=O)Nc2nc3c(OC)cccc3s2)cc1 3163509 VESAEBPYWXQZFC-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1O 3271896 ZEXWOYWQBXWWSO-WUXMJOGZSA-N 301.729 3.547 0 40 DHAB CCC(CC)C(=O)OCC(=O)c1cccc(Br)c1 3289135 AFZMPQTYVOANMF-UHFFFAOYSA-N 313.191 3.611 0 40 DHAB Cc1cc2nnc(S[C@@H]3CCCCC3=O)n2c2ccccc12 3292554 FFQJQYKBFNVRDF-OAHLLOKOSA-N 311.410 3.795 0 40 DHAB COc1cc(C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 3510594 FJAYJPCGFLABCN-UHFFFAOYSA-N 323.751 3.814 0 40 DHAB O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 4275574 XJRBJBNJGSQUTB-GFCCVEGCSA-N 312.350 3.926 0 40 DHAB CC(C)(C)c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 4303004 HOGQLKVDOKUHKZ-UHFFFAOYSA-N 306.822 3.587 0 40 DHAB O=c1[nH]c2ccc(NCc3ccc(-c4ccccc4F)o3)cc2[nH]1 4973804 YLWAWHGTITYCQQ-UHFFFAOYSA-N 323.327 3.867 0 40 DHAB aggregator CCc1ncc([C@@](C)(O)c2ccccc2)n1Cc1ccccc1 5502426 MGJWEHDRICUGFI-FQEVSTJZSA-N 306.409 3.750 0 40 DHAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 5559262 SMOSWPGXDCAXNW-LLVKDONJSA-N 319.788 3.848 0 40 DHAB Cc1cc(C)cc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 6280933 XKGNKLSINXSNGO-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB COc1ccc(C2=NN=C(N[C@H]3CCCC[C@H]3C)SC2)cc1 6522445 MCVOAHXIOLNFOZ-DOMZBBRYSA-N 317.458 3.670 0 40 DHAB CCc1ccc(-c2n[nH]c(SCC(=O)C(C)(C)C)n2)cc1 8483724 XKZPIMDQINANFY-UHFFFAOYSA-N 303.431 3.741 0 40 DHAB CC[C@]1(c2ccc(Cl)cc2)NC(=S)N(CCC(C)C)N1 9189226 VESYJMSGLPRNOK-HNNXBMFYSA-N 311.882 3.644 0 40 DHAB COc1ccc(SCCCC(=O)Nc2nccs2)cc1 10218009 PPCPOTCPTIARDP-UHFFFAOYSA-N 308.428 3.663 0 40 DHAB Cc1ccc(C)c(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 10763771 IQVPVWVXDXZBRR-UHFFFAOYSA-N 322.408 3.582 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN[C@H]1CCCC[C@@H]1C 13145633 FHVURWWJQTVXLA-JZXOWHBKSA-N 305.462 3.718 0 40 DHAB Cc1ccc(OCc2nnc(S)n2-c2ccc(F)cc2)cc1 13534328 XEGGJGSRTBZKBD-UHFFFAOYSA-N 315.373 3.583 0 40 DHAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(F)c(Cl)c1 16129639 HRWWQPNVNNGKCV-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB Fc1ccccc1COc1cccc(CNC[C@@H]2CCCO2)c1 16450049 LEFVXSXDMHMHMT-SFHVURJKSA-N 315.388 3.673 0 40 DHAB CCCCCc1c(C)nc(Nc2ccc(OC)cc2)[nH]c1=O 16808742 VNNVYSRUAMGYLC-UHFFFAOYSA-N 301.390 3.563 0 40 DHAB COc1ccc(-c2n[nH]cc2Oc2ccccc2OC)c(O)c1 18152689 FVDRIEZIALBMAQ-UHFFFAOYSA-N 312.325 3.592 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19346864 VJDAJOVWJPRYJE-MRXNPFEDSA-N 311.429 3.849 0 40 DHAB COc1cc(C)c(NC(=O)CCc2ccsc2)cc1OC 21895144 MFDLFBQKYSARFH-UHFFFAOYSA-N 305.399 3.645 0 40 DHAB C[C@@H](Sc1nc2ccc(Cl)cc2o1)C(=O)N1CCCC1 22301651 NSAWIXRLIFHAFJ-SECBINFHSA-N 310.806 3.584 0 40 DHAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccsc1 22424071 RWHPCWWSMUKRJD-UHFFFAOYSA-N 314.410 3.673 0 40 DHAB Cc1nc(C)c(C(=O)NC2CCC(C(F)(F)F)CC2)s1 27897800 JBKDIBGFVDJJKX-UHFFFAOYSA-N 306.353 3.611 0 40 DHAB CN(C1CCCCC1)S(=O)(=O)Cc1c(F)cccc1Cl 30756891 LIKBRDKBPSLVLU-UHFFFAOYSA-N 319.829 3.573 0 40 DHAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC3)cccc2c1=O 32721250 TZKNYUWUMLMUGX-UHFFFAOYSA-N 319.360 3.614 0 40 DHAB CCC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1 32738447 GPWSBZCDGBAVAX-IBGZPJMESA-N 324.424 3.594 0 40 DHAB C[C@H]1CCCC[C@H]1NC(=O)N(C)CCOc1cccc(Cl)c1 32863329 ATTBTYYOSHUGCQ-XJKSGUPXSA-N 324.852 3.939 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)Nc1ccc2ccccc2n1 32914211 OEUQMNDEYAWZQO-AWEZNQCLSA-N 306.365 3.779 0 40 DHAB COc1ccccc1Oc1ccc(-c2cccc(C(=O)O)c2)nn1 32918472 FWLCZWUASQVEON-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB CCc1nccn1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 35170678 IBMHXFBLCGUZRB-GOSISDBHSA-N 322.408 3.552 0 40 DHAB Cc1nccn1Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1 38849203 SNTYOHFWLGRXNI-UHFFFAOYSA-N 313.445 3.650 0 40 DHAB Cc1nc(C)c(C(=O)N[C@H](c2ccccc2)c2ccccn2)s1 43549478 GGJWGRYWJPXOJS-MRXNPFEDSA-N 323.421 3.674 0 40 DHAB COc1ccc(NC(=O)NCc2ccoc2)c(C(F)(F)F)c1 48289199 SOPYHKATIONZKF-UHFFFAOYSA-N 314.263 3.629 0 40 DHAB CN(Cc1ccsc1)C(=O)COc1ccc(F)c(Cl)c1 48331617 LTRWQWMJSJIDDS-UHFFFAOYSA-N 313.781 3.578 0 40 DHAB CSc1ccccc1NC(=O)N(C)Cc1csc(C)n1 49414207 SYFHCNINQDLTFH-UHFFFAOYSA-N 307.444 3.837 0 40 DHAB Cc1csc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1 57710686 ZZANFKWYZFNPGG-UHFFFAOYSA-N 323.226 3.559 0 40 DHAB Cc1noc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 62578870 RXZDBAYTVBLUCY-UHFFFAOYSA-N 313.744 3.951 0 40 DHAB CCC(=O)Nc1ccc([C@@H](C)NCc2csc(CC)n2)cc1 67186610 BFWUCXVFBMIAOH-GFCCVEGCSA-N 317.458 3.905 0 40 DHAB C[C@H](c1ccccc1)N(C)C(=O)C[C@H]1OCCc2sccc21 69617472 ZGTNEWGMQNUAIB-CZUORRHYSA-N 315.438 3.972 0 40 DHAB Cc1cc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c(N)c1 70462909 VAJNNPPAZWDQRI-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB C[C@H](C(=O)Nc1ccccc1SC1CCCC1)n1cncn1 71903395 HDVHHFQYUJAASX-GFCCVEGCSA-N 316.430 3.513 0 40 DHAB CCSc1nnc(Sc2ccc(C(C)(C)C)nn2)s1 71913851 KHILVARDUDHILK-UHFFFAOYSA-N 312.489 3.889 0 40 DHAB CN(C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72212624 CBHZBXPXYAJSDZ-CQSZACIVSA-N 305.422 3.610 0 40 DHAB COCc1ccccc1C(=O)NCC(C)(C)c1cccs1 74647347 ASBUNPRFWZCJJT-UHFFFAOYSA-N 303.427 3.602 0 40 DHAB CCOc1ccc(NC(=O)Nc2c(C)nn(CC)c2C)cc1C 83836718 ZMQOQZZDWISVPD-UHFFFAOYSA-N 316.405 3.871 0 40 DHAB Cc1cc(C[S@@](=O)[C@@H](C)c2ccc(OC(F)F)cc2)no1 84117170 KIFQRCFILKXXFM-CWKPULSASA-N 315.341 3.594 0 40 DHAB Cc1ccccc1C(=O)N1CC(Oc2nc3ccccc3s2)C1 85556025 FNXJHBRSONMTQQ-UHFFFAOYSA-N 324.405 3.508 0 40 DHAB O=C(c1cc(C(F)(F)F)ncc1Br)C(F)(F)F 91356088 ADWYKEIRNDVOCM-UHFFFAOYSA-N 322.002 3.608 0 40 DHAB Cc1ccn(-c2cccc(NC(=O)CCCc3ccccn3)c2)n1 95351178 RWXFUWOODYTKIC-UHFFFAOYSA-N 320.396 3.537 0 40 DHAB C[C@H]1CN(Cc2cnoc2-c2ccc(Cl)s2)C[C@@H](C)O1 95972302 WRUXZCMXJFULLL-AOOOYVTPSA-N 312.822 3.666 0 40 DHAB c1cc(CN2CCC3(CC2)CO[C@H](COCC2CC2)C3)cs1 96105965 JZLLFOYLRNKGDX-KRWDZBQOSA-N 321.486 3.546 0 40 DHAB O=C(NCc1ccccc1F)c1cccc(Oc2ccccn2)c1 96122669 LJGBYZGTUXDYCP-UHFFFAOYSA-N 322.339 3.943 0 40 DHAB Cc1c(C2CC2)n[nH]c1NC(=O)[C@H](C)O[C@H]1CCC[C@H](C)C1 96407544 INNRUTNEBHZEKG-JKOKRWQUSA-N 305.422 3.518 0 40 DHAB C[C@H]1[C@H]2C[C@@H]([C@@H]([C@@H]3C(=O)[C@@H]4C[C@H]3C(C)(C)[C@@H]4C)C2=O)C1(C)C 100314887 CTEHDPNSLFXLOZ-HQUOFDGJSA-N 302.458 3.981 0 40 DHAB O=C(OC/C=C/c1ccccc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102773345 YOJVEZYFZYPYFA-WFASZCNNSA-N 312.409 3.574 0 40 DHAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)on1 123017180 BNDNHBANULIWMQ-UHFFFAOYSA-N 300.264 3.872 0 40 DHAB O=C(c1cccs1)N(CCc1cccs1)C1CCOCC1 206676067 INMOWMWMNNOARQ-UHFFFAOYSA-N 321.467 3.674 0 40 DHAB Cc1cccc(C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224121014 GXYGZOWEMXXOOT-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB Cc1ccc(OCC(=O)Nc2cc(Cl)c(C)cc2N)cc1C 226358989 QIBKXMGXNPPSPT-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Cc1ccc(C)c(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1 408714681 VBAKEQKSCMWYLF-UHFFFAOYSA-N 321.380 3.626 0 40 DHAB CN(C(=O)COc1ccsc1)[C@@H]1CCCc2ccccc21 554571464 OLFBXKUZHBKGBS-MRXNPFEDSA-N 301.411 3.663 0 40 DHAB Cc1nn(C(C)C)cc1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 578377224 ISIYIACMVHMFQH-HDJSIYSDSA-N 315.392 3.588 0 40 DHAB CCC(CC)n1ncc(C(=O)Nc2ccc3ncoc3c2)c1C 585088142 MERRSRFYHMCYBO-UHFFFAOYSA-N 312.373 3.946 0 40 DHAB O=C(OCn1cnc(Cl)c1Cl)c1ccc(Cl)cc1 161126 XZEOYGPUEQKENL-UHFFFAOYSA-N 305.548 3.658 0 40 DHAB COc1cc2c(cc1OC)CC(C)(C)N(Cc1ccco1)C2 178882 PPJAQBBWCZTFAU-UHFFFAOYSA-N 301.386 3.634 0 40 DHAB CSc1nc(N2CCCC2)c2c3c(sc2n1)CCCC3 554362 WYBLLWSSCNLLQI-UHFFFAOYSA-N 305.472 3.892 0 40 DHAB CC[C@@H](C(=O)OCC(=O)Nc1ccccc1F)c1ccccc1 3230141 HMOQBVUMBLLUDK-CQSZACIVSA-N 315.344 3.501 0 40 DHAB CC(C)CCOc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 3264575 AKRIALZTTSWFFI-SFHVURJKSA-N 310.397 3.966 0 40 DHAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 3341896 WFRKHLISLFZRGV-UHFFFAOYSA-N 310.683 3.658 0 40 DHAB O=C(Cc1coc2cc3c(cc12)CCC3)O[C@H]1CCCCC1=O 3442590 JOIPGSCLRUCANG-KRWDZBQOSA-N 312.365 3.519 0 40 DHAB Cc1ccccc1NC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062593 JCMXLQOLNAUBPR-UHFFFAOYSA-N 306.365 3.617 0 40 DHAB Cc1cc(OC(=O)c2cc(=O)[nH]c3ccccc23)ccc1Cl 4112935 HNFMDEREMWTEEL-UHFFFAOYSA-N 313.740 3.709 0 40 DHAB O=C(c1ccccc1)N1CCN=C1SCc1ccc(F)cc1 4119921 YBSWAGNJEVRUKK-UHFFFAOYSA-N 314.385 3.571 0 40 DHAB C[C@@H](OC(=O)c1cccn1C)C(=O)c1ccc(C(C)(C)C)cc1 4564316 IOXFOARHZXLULR-CYBMUJFWSA-N 313.397 3.751 0 40 DHAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2ccccc2)c1C 5326300 WGGYZACMNASVGB-CYBMUJFWSA-N 315.369 3.726 0 40 DHAB CCc1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 5451839 RBPRKMLIBQQIPO-UHFFFAOYSA-N 322.364 3.922 0 40 DHAB Cc1ccsc1C(=O)OCc1cn2cc(Cl)ccc2n1 5666302 IKCZDNLJKLWQFC-UHFFFAOYSA-N 306.774 3.715 0 40 DHAB COC(=O)[C@H]1CC[C@H]2[C@H]3CCCC[C@H]3CC[C@H]2[C@@]1(C)C(=O)OC 5732153 UCYFCORFZAJVNQ-ZBKXOCMDSA-N 322.445 3.581 0 40 DHAB Cc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 5781276 VNDZCMRHAMOLRX-XNTDXEJSSA-N 312.756 3.746 0 40 DHAB CCCCNC(=S)Nc1ccc2c(c1)nc1n2CCCCC1 5827605 VKTILLZLQURDCT-UHFFFAOYSA-N 316.474 3.849 0 40 DHAB CC[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 6910768 PLMBPIJTFICDGC-ZDUSSCGKSA-N 305.381 3.825 0 40 DHAB Cc1cc(COC(=O)c2ccc(OCc3ccccc3)cc2)no1 6940460 XYWXLTJVBCHFHE-UHFFFAOYSA-N 323.348 3.919 0 40 DHAB Clc1ccc(Cl)c(-c2ccc(CNn3cnnc3)o2)c1 7602162 ILUADUAAAWWCMK-UHFFFAOYSA-N 309.156 3.589 0 40 DHAB O=C(CCc1cccnc1)Nc1ccc(OC(F)(F)F)cc1 8074297 BLCFTTHZYOFALS-UHFFFAOYSA-N 310.275 3.552 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(C)c(F)c2)cc1 9155165 XUKYYFCTQZPIAV-LBPRGKRZSA-N 314.360 3.776 0 40 DHAB O=c1[nH]c(CSCc2cccc(F)c2F)nc2ccccc12 9544812 WZDDSDIKYJULJH-UHFFFAOYSA-N 318.348 3.635 0 40 DHAB Cc1nn(C2CCCC2)c2nc(-c3ccco3)cc(C(=O)O)c12 12394524 CEYQTMAAPOSGPG-UHFFFAOYSA-N 311.341 3.813 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 12748847 FFVPACJLGQTHHR-CQSZACIVSA-N 322.408 3.835 0 40 DHAB Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 12801030 HCACJOVRDYCAQE-UHFFFAOYSA-N 322.408 3.792 0 40 DHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)cn2)cc1 13947661 PUHZSBBOTOJRLF-CYBMUJFWSA-N 304.415 3.704 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)c1 14094671 JCFAOBINLTZLLV-LJQANCHMSA-N 322.408 3.665 0 40 DHAB Cc1ccn2c(=O)cc(COc3ccc4ccccc4c3)nc2c1 14738621 IIXRFJXIJBPQOG-UHFFFAOYSA-N 316.360 3.735 0 40 DHAB CC(C)CCOc1ccccc1CN1C(=O)C(=O)c2ccccc21 17113144 BQJQEBXVXSYMPS-UHFFFAOYSA-N 323.392 3.841 0 40 DHAB Cc1nc(Nc2ccccc2Br)sc1C(=O)O 20156535 HKBDBMLKQIYOOT-UHFFFAOYSA-N 313.176 3.656 0 40 DHAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NC(C)C)c1 20454540 AEUUYZQBLUVDNF-UHFFFAOYSA-N 324.424 3.623 0 40 DHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 21299612 DJBODTCDCWDELI-HNNXBMFYSA-N 320.392 3.757 0 40 DHAB CCc1cccc(NC(=O)COc2nc(C)nc3ccccc23)c1 21361076 QLXXGOGPRNQJJT-UHFFFAOYSA-N 321.380 3.518 0 40 DHAB Cc1cc(NC(=O)N[C@@H](C)c2cccc(Br)c2)no1 24688591 OZFPKXSJJYIULN-VIFPVBQESA-N 324.178 3.628 0 40 DHAB C[C@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccco1 25464891 WNRIATDDXRPINN-JTQLQIEISA-N 315.760 3.814 0 40 DHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)ccc2C)c1 26391732 AFOCKANFLBJEHF-AWEZNQCLSA-N 313.397 3.812 0 40 DHAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(NC(=O)C2CC2)cc1 27294078 ORQLDEOGIGMQGB-ZIAGYGMSSA-N 312.413 3.569 0 40 DHAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1cccnc1 28506225 YMDYHISBKXFPKY-UHFFFAOYSA-N 306.365 3.591 0 40 DHAB Cc1nn(C)c(C)c1NC(=O)c1ccc(SC(F)F)cc1 32903442 LYFILEWFKYETMT-UHFFFAOYSA-N 311.357 3.604 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1C 32910903 JKGYGVKCVBDHRB-UHFFFAOYSA-N 307.397 3.854 0 40 DHAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(F)cc1Cl 44253530 ICDIQLSBHFGYEV-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1ccncc1 44868435 WIOCTIQXVMDKDV-SSDOTTSWSA-N 301.198 3.941 0 40 DHAB Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]2c2ccc(O)cc2)c1 48302669 SFXISYBWMRZSQB-LJQANCHMSA-N 324.424 3.785 0 40 DHAB Cc1cc(N2CCSCC2)ccc1NC(=O)NC1CCCC1 51236515 GAYYRDSVNNJGAF-UHFFFAOYSA-N 319.474 3.612 0 40 DHAB Cc1ccc([C@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)s1 53213124 XTJDTUDGBTYUCK-JTQLQIEISA-N 319.455 3.548 0 40 DHAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)NCc1ccccn1 65607525 BPIQBNFJNDWZRK-OAHLLOKOSA-N 309.413 3.764 0 40 DHAB Cn1ccc2c(C(=O)N3CCC[C@H]3c3ccccn3)cccc21 69460914 UGWALSMBUDDDFG-SFHVURJKSA-N 305.381 3.551 0 40 DHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1O 69532916 JCLKGGFMDKQSPP-CYBMUJFWSA-N 309.365 3.901 0 40 DHAB Cc1c(C[S@@](C)=O)cccc1NC(=O)CC1CCCCC1 71909701 FQCWODOGBDRPBN-NRFANRHFSA-N 307.459 3.782 0 40 DHAB C[C@@H]1CCCCN1C(=O)NCCCc1nc2ccccc2s1 72483978 PZUCUQAJGUHUTE-CYBMUJFWSA-N 317.458 3.813 0 40 DHAB Nc1ncc(-c2nc(-c3cc(Cl)ccc3Cl)no2)s1 89263056 SDSGSUYNNIBASB-UHFFFAOYSA-N 313.169 3.749 0 40 DHAB CC[C@@H](NC(=O)CCc1c(C)noc1C)c1ccc(OC)cc1 95953064 VRBKEBSSFYZICA-QGZVFWFLSA-N 316.401 3.500 0 40 DHAB C[C@H]1CC2=Nc3ncnn3[C@H](c3ccccc3Cl)C2=C(O)C1 102602590 WIVMVBJXLBSOKH-BJOHPYRUSA-N 314.776 3.849 0 40 DHAB Cc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1 135645864 QMOIKQRHYSCOIN-UHFFFAOYSA-N 311.406 3.627 0 40 DHAB CSC1(CNC(=O)Nc2cccc(-c3ncco3)c2)CCC1 193937624 GCQMLFVUFVHAEK-UHFFFAOYSA-N 317.414 3.749 0 40 DHAB CC(C)NC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 208047478 ZUMBKRKAVQVYCQ-CQSZACIVSA-N 312.866 3.938 0 40 DHAB COC(=O)C(C)(C)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223206985 QBAUUSBOKPIIFT-LBPRGKRZSA-N 305.418 3.739 0 40 DHAB CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 224907436 XTXVOMFYUQEDSX-UHFFFAOYSA-N 307.390 3.774 0 40 DHAB CCCOC1(C(=O)Nc2cnc(OCC)c(C)c2)CCCCC1 225909742 UUDNYJLRLGEKAU-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB Cc1cccc(OCC(=O)Nc2c(N)cccc2Cl)c1C 226359092 DCZRTHOAFDMBSG-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB O=C(COc1cccc(Cl)c1)Nc1cncc2ccccc12 536264505 SXTDMNODKPPWQE-UHFFFAOYSA-N 312.756 3.906 0 40 DHAB O=C(O)[C@@H]1CCCC[C@@H]1NCc1csc(-c2ccccc2)n1 584530264 SZZIAHMVTGZTJX-CABCVRRESA-N 316.426 3.543 0 40 DHAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCCC3)o1 38148 NHWQIOGAXBXAPP-UHFFFAOYSA-N 319.382 3.869 0 40 DHAB COc1ccc2c(-c3ccccc3)cc(N3CCOCC3)nc2c1 87172 CKZHUGNNWROEQM-UHFFFAOYSA-N 320.392 3.747 0 40 DHAB Cc1c(C(=O)OC(C)C)sc2nc(-c3ccccc3)cn12 151897 QVBNGGSIAKRNJX-UHFFFAOYSA-N 300.383 3.936 0 40 DHAB Cc1nnc(SCc2ccccc2Cl)n1C[C@H]1CCCO1 420993 HGTKYWSHPZBYLR-CYBMUJFWSA-N 323.849 3.711 0 40 DHAB CCn1c(SC/C=C/c2ccccc2)nnc1-c1cnccn1 2415141 FBCRTCHUZLVGEP-RMKNXTFCSA-N 323.425 3.561 0 40 DHAB CCOc1ccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc1 4138019 HLFRHBUFMKUHGV-UHFFFAOYSA-N 308.381 3.805 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(F)cc2)c1 4414628 YIZKKINHAWGNIY-UHFFFAOYSA-N 318.373 3.515 0 40 DHAB CO[C@@](F)(C(=O)Oc1ccc2ccccc2c1)C(F)(F)F 4568396 ZLVWBIBZWARVIW-ZDUSSCGKSA-N 302.223 3.620 0 40 DHAB COC(=O)CCCn1c(=S)[nH]c2cc(C(F)(F)F)ccc21 5700210 RIQJKQQYPVZTPT-UHFFFAOYSA-N 318.320 3.671 0 40 DHAB O=C(CSc1nccn1C1CCCC1)NC1CCCCC1 7415970 QDCTYCVBJXCJRU-UHFFFAOYSA-N 307.463 3.539 0 40 DHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(F)cc1F 8050853 NGUWABAEJIFKMM-CQSZACIVSA-N 321.323 3.770 0 40 DHAB CCOc1ccccc1OCCOc1ccccc1OCC 8750486 KYQJJTRZGQPMPN-UHFFFAOYSA-N 302.370 3.942 0 40 DHAB CN(C[C@H](O)COC12CC3CC(CC(C3)C1)C2)C1CCCCC1 10434719 JCZJSKJSPSUMIM-DRZUXFPHSA-N 321.505 3.597 0 40 DHAB Cc1csc(NC(=O)Cc2csc(-c3ccsc3)n2)n1 10555293 XEIPPWCFUCKSHP-UHFFFAOYSA-N 321.452 3.818 0 40 DHAB O=C(Nc1nc2ccccc2s1)[C@H]1Cc2ccccc2S1 11327741 SRLLVEGSHFVXOT-CQSZACIVSA-N 312.419 3.952 0 40 DHAB Cc1cccc(Nc2ccccc2C(=O)N2CCO[C@@H](C)C2)c1C 11495554 BZOYFZNFDGYGBX-HNNXBMFYSA-N 324.424 3.908 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1 12831192 DXJIDYYXUHVBTH-QGZVFWFLSA-N 311.406 3.853 0 40 DHAB C[C@H]1CCC[C@@H](NS(=O)(=O)C2=Cc3ccccc3CC2)[C@@H]1C 12901032 NIVFFJPVZVBVHH-PMUMKWKESA-N 319.470 3.718 0 40 DHAB COc1cc(C(=O)Nc2cc(C)cc(C)c2)cc(Cl)c1O 14136322 LERXPPRKVGHXFD-UHFFFAOYSA-N 305.761 3.923 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2ncccc12 14167423 BTELDFHNBPHFCX-UHFFFAOYSA-N 320.348 3.535 0 40 DHAB S=C(NCc1ccccc1)N[C@@H]1CCSc2ccccc21 15940933 XZJBTVHABBDODG-OAHLLOKOSA-N 314.479 3.888 0 40 DHAB COc1cc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1C 18134447 QDEMVSAOFIVMBY-OAHLLOKOSA-N 313.422 3.971 0 40 DHAB c1ccc([C@H]2CCN[C@@H]3CCCCN(Cc4ccncc4)[C@@H]32)cc1 19373935 BZERCXLDEJTNSQ-NJDAHSKKSA-N 321.468 3.582 0 40 DHAB Clc1cccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 19831794 RIXXVXALVTVHMJ-NJAFHUGGSA-N 316.876 3.670 0 40 DHAB COC(=O)c1ccc(C)c(-c2cccc(Br)n2)c1 22005431 DTVGYJVWVQGTLQ-UHFFFAOYSA-N 306.159 3.606 0 40 DHAB Cc1ccc2nc(NC(=O)CCc3c(C)noc3C)sc2c1 23109533 YLAMOPYEZGCZKF-UHFFFAOYSA-N 315.398 3.781 0 40 DHAB OCCCSc1ncnc2scc(-c3ccc(F)cc3)c12 25046953 HXGLZZVMCIUAJQ-UHFFFAOYSA-N 320.414 3.972 0 40 DHAB CC[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(OC)cc1 25513328 BGHLBVYCSXEZDE-SFHVURJKSA-N 313.397 3.650 0 40 DHAB C[C@H]1CCc2noc(NC(=O)Cc3ccc(Cl)cc3)c2C1 27794711 SSSMCEXILUNMRE-JTQLQIEISA-N 304.777 3.634 0 40 DHAB Cc1cc([C@H]2CCCN2c2ncnc3sc(C)c(C)c23)no1 29527156 VQPYMNQMRXSTFF-CYBMUJFWSA-N 314.414 3.946 0 40 DHAB CC1CCN(Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 35818571 FCDWHUKZEOSNSX-UHFFFAOYSA-N 300.446 3.545 0 40 DHAB CNC(=O)c1c(CCCc2ccccc2Cl)cccc1OC 35973462 LHQVZCVPNNLJCS-UHFFFAOYSA-N 317.816 3.884 0 40 DHAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)c(C)c1 36635425 SPQADAGXBLOZTP-KRWDZBQOSA-N 322.408 3.664 0 40 DHAB C/C=C/C=C/C(=O)Nc1ccccc1C(=O)NCc1ccccc1 40049349 LWYYGAKBXGXLOZ-MHCRVGIVSA-N 320.392 3.687 0 40 DHAB COc1ccccc1C(=O)Nc1nc(-c2ccco2)cs1 40111364 RWPZMONTAYHBIF-UHFFFAOYSA-N 300.339 3.664 0 40 DHAB Cc1cc2occ(CC(=O)N[C@H](C)c3ccccn3)c2cc1C 40159802 FLTLNCOCEBVGAF-CQSZACIVSA-N 308.381 3.865 0 40 DHAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H](C)c2cccnc2)c1 48242120 MTARYGDOUJFTKF-QWHCGFSZSA-N 318.804 3.688 0 40 DHAB CC1CCC(N(C)C(=O)c2ccc(Cn3cccn3)cc2)CC1 48324605 KQFFZVUAXQSUTG-UHFFFAOYSA-N 311.429 3.582 0 40 DHAB Cc1ccc(CC(=O)NCc2ccc(COC(C)C)cc2)cc1 48354922 LXEAHCWKJRMVRW-UHFFFAOYSA-N 311.425 3.779 0 40 DHAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(F)cc1Cl 51354466 LZMWEAYUYZQYKA-UHFFFAOYSA-N 308.696 3.852 0 40 DHAB CCN(C(=O)NCc1ccc(F)cc1)[C@H](C)c1cccc(O)c1 58019046 DEJPHSWJNNYNAS-CYBMUJFWSA-N 316.376 3.824 0 40 DHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@@H](C)CC1 58425291 OZLCRXVDZFJECL-GFCCVEGCSA-N 300.377 3.945 0 40 DHAB CCc1ccc(OCC(=O)NCCSc2ccccc2)cc1 60970895 NFUQAEQOKLOHMS-UHFFFAOYSA-N 315.438 3.536 0 40 DHAB Cc1cc(-c2nnco2)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 67724324 NGYVSCABNMSYGR-HZPDHXFCSA-N 319.364 3.787 0 40 DHAB CCc1ccc([C@H]2CCCCCN2C(=O)Nc2nncs2)o1 71916274 JHFAXUBLPIALHU-GFCCVEGCSA-N 320.418 3.843 0 40 DHAB C[C@@H](c1ccccn1)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C 72203934 AZUVUIZQXCYECR-LSDHHAIUSA-N 319.449 3.522 0 40 DHAB O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccc2[nH]ccc12 89774347 MCJFNUQFDCAFLC-AWEZNQCLSA-N 312.413 3.780 0 40 DHAB O=C(NCCc1ccc(Cl)s1)c1nc(Cl)ccc1F 95442587 OGCZKYDGFHNBPK-UHFFFAOYSA-N 319.188 3.562 0 40 DHAB O=C(NCC(F)(F)F)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 95961424 CMGCQWDLLPNWBM-NXEZZACHSA-N 312.118 3.775 0 40 DHAB CN(Cc1ccc(O)cc1)C(=O)c1cncc(-c2ccccc2)c1 96466398 MFBMPENKQRQERE-UHFFFAOYSA-N 318.376 3.726 0 40 DHAB COc1cc(C(=O)N(C2CC2)[C@H](C)c2ccccn2)ccc1F 96476081 XMSKLIJPAJVMHE-GFCCVEGCSA-N 314.360 3.595 0 40 DHAB O=C1C[C@]2(C[C@H]3C=C[C@H]2C3)C(=O)N1c1cc(Cl)cc(Cl)c1 100799438 MYGHKFZMGWTNIN-PUTJDCORSA-N 322.191 3.839 0 40 DHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc3nccn3c2)o1 173557462 JBYKTJGLPKEMRS-CJNGLKHVSA-N 323.396 3.849 0 40 DHAB COc1ccc(N(C)C(=O)c2cccc(C(F)(F)F)c2)cc1 196393961 COZPEQNSPBTVBV-UHFFFAOYSA-N 309.287 3.991 0 40 DHAB O=C(/C=C/c1ccco1)N1CCS[C@@H](c2ccccc2)CC1 211139169 DADGWFMITUNLHP-KBOKABMXSA-N 313.422 4.000 0 40 DHAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccccc1F 214377273 GPKBEXLDZZQYFE-MDWZMJQESA-N 303.314 3.655 0 40 DHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 216275027 GPHWOOYZVHQWCO-TZMCWYRMSA-N 313.850 3.506 0 40 DHAB COC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 216804862 GSSXXFSLRKQOBY-UHFFFAOYSA-N 306.745 3.714 0 40 DHAB Cc1cc(NC(=S)NCCCc2ccccc2)ncc1Cl 223961801 MFGBMJKLLUCOGA-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB COc1cc(C2(c3nc(-c4cccnc4)no3)CCC2)ccc1C 531117835 OXCKMRRRESOLBD-UHFFFAOYSA-N 321.380 3.919 0 40 DHAB O=C(O)c1ccc(-c2cccc(C(=O)C3CCOCC3)c2)cc1 565543815 NLGBKGIWCRRMAF-UHFFFAOYSA-N 310.349 3.661 0 40 DHAB CC(C)[C@@H](c1ccccc1)N(C(=O)Cc1ccnn1C)C(C)C 585126321 WOTOXOWNEJMXSQ-IBGZPJMESA-N 313.445 3.597 0 40 DHAB Clc1ccc(N2CCC(OCc3ccccn3)CC2)cc1 1569989301 YZNBTVLKQDBEFC-UHFFFAOYSA-N 302.805 3.921 0 40 DHAB O=Cc1nc(Br)c(-c2cc(Cl)ccc2Cl)[nH]1 1857794617 DDSWBJOUYLTKLO-UHFFFAOYSA-N 319.973 3.959 0 40 DHAB COc1cccc2sc(N3CC[C@H](c4ccccn4)C3)nc12 2298085412 USISMKMHZNXRRT-LBPRGKRZSA-N 311.410 3.694 0 40 DHAB COc1ccc(C(=O)Oc2ccc3ccc(O)cc3c2)cc1OC 364986 DLRULEFBZCCCLR-UHFFFAOYSA-N 324.332 3.782 0 40 DHAB COc1ccc([C@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 519348 RJYHUHMMBLCXKJ-CJBAZIHXSA-N 302.414 3.594 0 40 DHAB CN(C)CCN(Cc1ccccc1)c1ccc2ccccc2n1 1670038 UOIUDOKHROSYCW-UHFFFAOYSA-N 305.425 3.803 0 40 DHAB CCCOC(=O)N1[C@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 2257023 KPOVWBPVLIZDGP-SFYZADRCSA-N 317.229 3.657 0 40 DHAB Cc1nc(C(F)(F)F)c(-c2ncn(-c3ccccc3)n2)s1 3134682 XKWVENGODLCFLS-UHFFFAOYSA-N 310.304 3.718 0 40 DHAB Cc1cccc(Oc2ccccc2NC(=O)c2cnccn2)c1 3340483 MAVVTQQPPKPDDX-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CCOc1ccccc1CN1CCC(N2CCCCCC2)CC1 4745507 BKUVUYPWDWTVAU-UHFFFAOYSA-N 316.489 3.926 0 40 DHAB CCOc1cccc2cc(-c3nc4ccccc4[nH]3)c(=N)oc12 5399447 CFMMKXBDOOXNGP-UHFFFAOYSA-N 305.337 3.854 0 40 DHAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CC1 6235563 NFJRABGMXVKFLF-UHFFFAOYSA-N 308.097 3.816 0 40 DHAB COc1cccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 6831305 SAEHMSNLVNOAKI-SNVBAGLBSA-N 322.767 3.927 0 40 DHAB COc1ccc(NC(=S)Nc2ccccc2C(C)=O)cc1 6831598 XSQHPCOCBJZTLA-UHFFFAOYSA-N 300.383 3.707 0 40 DHAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2F)cc1 7790209 ZAAJQOBUPRYIDA-LLVKDONJSA-N 305.374 3.954 0 40 DHAB COc1ccccc1CCC(=O)Nc1ccc(N2CCCC2)cc1 8025506 UWNZVUNHJJBGNY-UHFFFAOYSA-N 324.424 3.867 0 40 DHAB Cc1cc(C(=O)NCCc2ccc(F)cc2)c(C)n1C(C)C 8264692 CILQOXCNPFWYPQ-UHFFFAOYSA-N 302.393 3.797 0 40 DHAB O=C(NCc1nc(-c2ccccc2F)cs1)c1ccccc1 9836371 JNYHLUWYBJXEKD-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1F 10430018 HXUZZVDEVLNPJL-UHFFFAOYSA-N 314.360 3.687 0 40 DHAB C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1 12756594 CHFXTQWKKZLRMD-JTQLQIEISA-N 300.308 3.937 0 40 DHAB NC(=O)c1ccc(COc2ccccc2Cc2ccccc2)cc1 12785101 KQMNGDMZNAXBJK-UHFFFAOYSA-N 317.388 3.955 0 40 DHAB C[C@H]1CCCC[C@@H]1NC1=NN=C(c2ccc(F)c(F)c2)CS1 12797612 ZXNLMFGPQIXCCO-HZMBPMFUSA-N 323.412 3.940 0 40 DHAB Cc1cccc(OCCCC(=O)N(C)c2nc3ccccc3o2)c1 12859280 YUTJFYCTVQRRIF-UHFFFAOYSA-N 324.380 3.958 0 40 DHAB COc1ccccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 12893470 UAVFLCKKNPGTKX-UHFFFAOYSA-N 323.377 3.655 0 40 DHAB CN(C)C(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 13014017 KSXZPPDKMWDWQA-UHFFFAOYSA-N 302.418 3.687 0 40 DHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1 13710722 UPXIMEBQYQCEPG-GFCCVEGCSA-N 305.324 3.988 0 40 DHAB C[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1ccc(Cl)cc1 14411653 IZXNZPBIHLLWRH-FIKIJFGZSA-N 321.829 3.568 0 40 DHAB Cc1cc(C)n(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)n1 17052269 MNHSEQJQCQYFPV-SNVBAGLBSA-N 313.184 3.914 0 40 DHAB O=C(N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1cccnc1 19373850 VAILTAFIIXZDQZ-YRXWBPOGSA-N 306.409 3.784 0 40 DHAB CN1CCN(CCCC(=O)c2ccc(C3CCCC3)cc2)CC1 19802352 SYKLCRHFGLITIY-UHFFFAOYSA-N 314.473 3.555 0 40 DHAB CN(CCCNC(=O)Cc1ccccc1Cl)c1ccccc1 23427907 GTGXGZBXGGMJIF-UHFFFAOYSA-N 316.832 3.525 0 40 DHAB COc1ccc(N[C@@H](C)c2nc(-c3cccs3)no2)cc1 26982508 AVLDPGHUVZYONP-JTQLQIEISA-N 301.371 3.980 0 40 DHAB CCCOc1ccccc1NC(=O)NCc1ccc(F)cc1 31023656 JXVNNZBBVBUUFR-UHFFFAOYSA-N 302.349 3.936 0 40 DHAB Cc1ccc(C(=O)CSc2nc(N)c3ccsc3n2)cc1 31787978 FBBYEDDTHCICJI-UHFFFAOYSA-N 315.423 3.557 0 40 DHAB C[C@H](NC(=O)Cc1cccs1)c1ccc(-n2cccc2)cc1 32610537 DJSHTUPUOXCZCT-AWEZNQCLSA-N 310.422 3.959 0 40 DHAB CCCCC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 32817323 JCNDMUMQFJMNTB-UHFFFAOYSA-N 309.431 3.532 0 40 DHAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(F)cc1F 32930842 XXKCKVWHRHFRQJ-SNVBAGLBSA-N 309.743 3.979 0 40 DHAB C[C@@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1ccco1 35239014 DWPBAHXBPDEVPZ-SNVBAGLBSA-N 300.745 3.972 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2OC)cc1 36623409 QIXVNTFHWPRFLR-CYBMUJFWSA-N 313.397 3.757 0 40 DHAB COc1cc2nc(C)c(C(=O)O)cc2cc1OCc1ccccc1 38248232 HIWSTMNHWHBRAD-UHFFFAOYSA-N 323.348 3.829 0 40 DHAB Cc1ccc(CN(C(=O)Nc2nnc(C(C)C)s2)C2CC2)o1 40150613 MIIRTQLRGJTARD-UHFFFAOYSA-N 320.418 3.759 0 40 DHAB Cc1[nH]nc(-c2ccsc2)c1NC(=O)c1c(F)cccc1F 40426692 VLDWZYLWWRXHKD-UHFFFAOYSA-N 319.336 3.977 0 40 DHAB Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)no1 41894330 ISNUNCPNPMVBEO-QMTHXVAHSA-N 300.358 3.504 0 40 DHAB CC(C)n1nccc1NC(=O)N(C)Cc1c(F)cccc1Cl 43451056 NEBNJGIZEPMESC-UHFFFAOYSA-N 324.787 3.920 0 40 DHAB CC(C)Oc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 44195120 HQYIMISSIYTOJJ-WOSRLPQWSA-N 304.459 3.949 0 40 DHAB CCN(Cc1ccccc1Cl)C(=O)c1cc(C(C)=O)c[nH]1 45396724 VJFKMROLTXGSPX-UHFFFAOYSA-N 304.777 3.533 0 40 DHAB C[C@H]1CCCN(CCCNC(=O)CCc2ccc(Cl)cc2)C1 46960935 MIKABUNYWYRRTM-HNNXBMFYSA-N 322.880 3.511 0 40 DHAB CSCc1nnc(SCCOc2ccc(Cl)cc2)o1 48396365 FRAKSFYLOBRHAI-UHFFFAOYSA-N 316.835 3.757 0 40 DHAB Cc1nc(-c2ccc(Cl)cc2)oc1COC(C)(C)C(=O)O 49925478 LNXXSBRGLBOASF-UHFFFAOYSA-N 309.749 3.683 0 40 DHAB in-man O=C(Nc1ccc(NC(=O)C2CCC2)cc1)c1cccs1 58197287 BSKAGRMKLSCMLB-UHFFFAOYSA-N 300.383 3.739 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)c1 68949995 VWIVKDDROPTGQA-UHFFFAOYSA-N 323.845 3.778 0 40 DHAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1C)c1c(C)noc1C 69460708 MRIRPRGWZPHDGA-IUODEOHRSA-N 300.402 3.971 0 40 DHAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC(F)(F)F)C(C)C 69738778 VJUXGXVJOXTEGT-QWHCGFSZSA-N 315.335 3.598 0 40 DHAB O=C(Nc1ccc(Cl)cc1F)c1cccc(-c2ncon2)c1 72292842 ILINMHMXZHJHSZ-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB Cc1nccn1-c1cccc([C@@H]2CCCN(C3CCCC3)C2)n1 72379132 SDWKIKQEGMFBBR-MRXNPFEDSA-N 310.445 3.698 0 40 DHAB Cc1ccccc1OCC(=O)N1CCC(c2cccs2)CC1 75157028 CVVSKWBLJOFNSF-UHFFFAOYSA-N 315.438 3.842 0 40 DHAB Cn1ccc2ccc(NC(=O)CCC(=O)c3cccs3)cc21 78806884 FIYHIXOTMAHKNU-UHFFFAOYSA-N 312.394 3.841 0 40 DHAB CC(C)[C@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1 79473628 INOPJZBOGCIHDA-OAHLLOKOSA-N 301.415 3.963 0 40 DHAB CCc1nnc(CN(C)C2c3ccccc3-c3ccccc32)o1 81596617 PPRKSBYMXXAHJA-UHFFFAOYSA-N 305.381 3.834 0 40 DHAB CC(=O)Nc1cccc(CNC2(c3nccs3)CCCC2)c1 83215141 GXAYSXKLJYTHTF-UHFFFAOYSA-N 315.442 3.661 0 40 DHAB O=C1NC(=O)c2ccccc2/C1=C\c1csc2ccccc12 84593120 JOFQMBDYHBBXPI-OQLLNIDSSA-N 305.358 3.712 0 40 DHAB COc1ccc2cc(Br)ccc2c1Cn1ccnc1 85399424 INWDWDHDXDWTPB-UHFFFAOYSA-N 317.186 3.856 0 40 DHAB CCc1ccc(CNc2cccc(NC(=O)OCCOC)c2)o1 89286788 JWDKYLZPNMMLFS-UHFFFAOYSA-N 318.373 3.649 0 40 DHAB CC(C)CO[C@H]1CCN(C(=O)Nc2cc(F)ccc2Cl)C1 89840268 OULBYDIFIXFXJI-LBPRGKRZSA-N 314.788 3.758 0 40 DHAB O=C(Nc1cccc(-c2ncco2)c1)[C@H]1COc2ccccc2C1 89857888 QRWLPPQJDXPPQH-OAHLLOKOSA-N 320.348 3.531 0 40 DHAB Fc1ccc(CNc2cccc(Cn3cnnc3)c2)c(Cl)c1 95425780 ACMDBXNNOQGUBG-UHFFFAOYSA-N 316.767 3.731 0 40 DHAB Cc1noc(C)c1CC(=O)Nc1ccc(Oc2ccccc2)nc1 95955665 OZKXQBCGOJZSPY-UHFFFAOYSA-N 323.352 3.660 0 40 DHAB C[C@H](NC(=O)N1C[C@H]2CC=CC[C@@H]2C1)c1csc(C2CC2)n1 96440225 MYEIZRAJFXYJOM-IACUBPJLSA-N 317.458 3.689 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 113948566 QIOJJCXDPCMINK-ZIAGYGMSSA-N 301.361 3.779 0 40 DHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCc2ccccc2)c1 219543373 VMFZZLBJYOITEC-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB COc1ccc(C(=O)N(C)Cc2ccccc2OC)cc1Cl 224957400 YYMUACWQXWKDOL-UHFFFAOYSA-N 319.788 3.629 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1C 225609755 UOVSMGZCVHYMSN-KRWDZBQOSA-N 321.417 3.872 0 40 DHAB CCCO[C@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@H](C)C1 225910956 MBKUBTMFPIPDBY-SCLBCKFNSA-N 320.433 3.713 0 40 DHAB COc1cc(C(=O)Cc2ccccc2)ccc1Br 575362096 BEKHOUWIVPLLOR-UHFFFAOYSA-N 305.171 3.883 0 40 DHAB C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)[C@@H](C)OCc1ccccc1 585093640 UIDSVGUKZLKINS-OSGQAZFXSA-N 303.446 3.527 0 40 DHAB COc1ccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 1657596288 IPSOCKBUTMATEI-MRXNPFEDSA-N 321.424 3.951 0 40 DHAB CCC(=O)Nc1nc2ccc3nc(SC)sc3c2s1 190423 WBRLOVKKVHEQDN-UHFFFAOYSA-N 309.441 3.976 0 40 DHAB CSc1nc(=S)n(Cc2ccccc2)c(C)c1C(C)=O 368494 BBQUYTRIRNUYGJ-UHFFFAOYSA-N 304.440 3.894 0 40 DHAB COc1cc2ncnc(Nc3cc(F)cc(F)c3)c2cc1OC 1405327 MBFJJNVYRYFTEP-UHFFFAOYSA-N 317.295 3.669 0 40 DHAB Cc1ccc(C[C@@](C)(O)C[C@](C)(O)Cc2ccc(C)cc2)cc1 1723844 FLVGBGPUWNPAGH-NHCUHLMSSA-N 312.453 3.981 0 40 DHAB CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2)cc1 1792764 ZQEQTACZSICBBO-UHFFFAOYSA-N 313.353 3.526 0 40 DHAB COP(=O)(OC)O/C(C)=C\C(=O)O[C@@H](C)c1ccccc1 2036836 XXXSILNSXNPGKG-WEHUKYGOSA-N 314.274 3.612 0 40 DHAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(Cl)cc1 3071135 YAHGMDZGPSKPIW-GFCCVEGCSA-N 303.855 3.835 0 40 DHAB COc1cccc(C(=O)Nc2ccc(Br)cc2)c1 3481157 IMMHSSHSDBYSND-UHFFFAOYSA-N 306.159 3.710 0 40 DHAB COc1ccc(CCC(=O)Nc2cc(C)cc(C)c2)cc1OC 3565955 ZIJDGZAPDRXYAM-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB CC(C)(C)N1C(=O)c2ccccc2NC(=O)N1Cc1ccccc1 4108569 JEQAKLFZGZAPKP-UHFFFAOYSA-N 323.396 3.890 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NC1C2CC3CC(C2)CC1C3 4699484 PAVABUVGVOZFRH-UHFFFAOYSA-N 303.833 3.823 0 40 DHAB O=C(Cc1cccc2ccccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 5296631 SZQPESSSZJFZNG-RXVVDRJESA-N 323.436 3.536 0 40 DHAB Cc1[nH]c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2c1C 6609785 LWMGKKFZHDCYHV-UHFFFAOYSA-N 322.364 3.808 0 40 DHAB O=C(/C=C/c1cc(Br)ccc1F)Nc1cccnc1 6832093 RYQMJLBSPVZIJJ-ZZXKWVIFSA-N 321.149 3.635 0 40 DHAB O=C(/C=C/c1cccs1)OCC(=O)c1cc2ccccc2o1 6886015 GRJYPYIMVJBSMB-BQYQJAHWSA-N 312.346 3.934 0 40 DHAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc2ccccc2c1 6932549 OIAYIWMGZFJDKZ-UHFFFAOYSA-N 323.323 3.774 0 40 DHAB O=C(Nc1nccs1)c1ccc(C2SCCS2)cc1 7655065 ZVIYFMFKWOQGMB-UHFFFAOYSA-N 308.453 3.874 0 40 DHAB O=C(O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 8024882 MVAGZWOEZCMLDD-UHFFFAOYSA-N 302.277 3.533 0 40 DHAB C[C@@H]1C[C@H](Sc2nc3ccccc3n2-c2ccccc2)C(=O)O1 8135337 QFUITNJESBWXPH-WBMJQRKESA-N 324.405 3.822 0 40 DHAB CCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC)cc1 8735225 VVQLCNYOLJJRMO-UHFFFAOYSA-N 319.408 3.520 0 40 DHAB C[C@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)C[C@@H](C)O1 12625007 XMYLUYJMMPSMNS-GASCZTMLSA-N 319.408 3.910 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)NC2CCCCC2)cc1 12790006 FZSKNQDGLOMRHV-QGZVFWFLSA-N 302.418 3.874 0 40 DHAB COC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12 13017436 MMNFNQPSOIIOKK-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB O=C(COc1ccccc1Cl)N1CC[C@@H]2CCCC[C@H]2C1 13069586 DRJYAMRSZYAQQX-KBPBESRZSA-N 307.821 3.758 0 40 DHAB COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)Nc2ncnn21 13127461 LMXKCNNGJAXAPZ-DLBZAZTESA-N 320.396 3.741 0 40 DHAB c1ccc(CCn2c(-c3ccncc3)nc3ccccc32)nc1 13211801 DGULOSPKXUYSGM-UHFFFAOYSA-N 300.365 3.736 0 40 DHAB CN(C)C(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13626749 UWDXEXAXXWOPRJ-UHFFFAOYSA-N 324.424 3.938 0 40 DHAB COc1ccc(OC)c(C(=O)Nc2cccc(Cl)c2C)c1 15356114 MDMLMWCLGKNMNZ-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2ncsc2c1 15471754 ZOIMTUQNQLZSAD-LLVKDONJSA-N 312.394 3.796 0 40 DHAB Cc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)n1 19236349 MAPRUPBOQIPHJA-HNNXBMFYSA-N 315.467 3.982 0 40 DHAB Cc1sc2nc(CNc3ccc(Cl)cc3)[nH]c(=O)c2c1C 19926641 FMCVQUQBJOAGEL-UHFFFAOYSA-N 319.817 3.867 0 40 DHAB c1ccc2c(NCCN3CCCC3)nc(-c3ccsc3)nc2c1 22815221 JANZLBKPLRNSNS-UHFFFAOYSA-N 324.453 3.866 0 40 DHAB Cc1ccc(NCc2cc(=O)n3cc(Cl)ccc3n2)c(C)c1 25629327 YPLKWALAUVUILI-UHFFFAOYSA-N 313.788 3.577 0 40 DHAB O=C(Cc1ccccc1)NCCc1csc(-c2ccccc2)n1 27992549 LFRVKPWOVBMOIK-UHFFFAOYSA-N 322.433 3.712 0 40 DHAB CCC(=O)n1c(C(=O)N[C@@H](C)c2ccccc2)nc2ccccc21 28115817 PMVCRVKPYIDGJF-ZDUSSCGKSA-N 321.380 3.578 0 40 DHAB CCCn1nccc1C(=O)Nc1cc(C(F)(F)F)ccc1F 28222389 KDPSOHDEDDEDID-UHFFFAOYSA-N 315.270 3.703 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1F 32696850 DWHQIWGZVWZORD-STQMWFEESA-N 319.351 3.747 0 40 DHAB Cc1ccc2cccc(Oc3nc(C)c(C(=O)O)s3)c2n1 36047717 DTPCTTIKPGXUTB-UHFFFAOYSA-N 300.339 3.799 0 40 DHAB O=C(Nc1nccs1)c1cc2occc2n1Cc1ccccc1 36357534 GOYIDAPXWCQHKT-UHFFFAOYSA-N 323.377 3.991 0 40 DHAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2cccc(O)c2)C1 36358989 VSSZYKHGHXKARO-CYBMUJFWSA-N 323.327 3.841 0 40 DHAB CN(C)C1(CNC(=O)c2ccc(-c3ccccc3)cc2)CCCC1 36397353 HXSOCHHSAISNDP-UHFFFAOYSA-N 322.452 3.958 0 40 DHAB C[C@H]1CCCN(CC(=O)N[C@H](C)c2cccc3ccccc23)C1 36422069 PMKGCAPOHFZFLU-JKSUJKDBSA-N 310.441 3.749 0 40 DHAB O=C(Nc1ccccc1Cn1cccn1)c1ccccc1Cl 36759836 SXXUVSYLNOXAKB-UHFFFAOYSA-N 311.772 3.837 0 40 DHAB CC/C=C(\C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 40108494 CPTKIQZHXMITBB-JVOXIWMLSA-N 310.235 3.853 0 40 DHAB CC[C@@H](NCc1nc2c(C)cccc2c(=O)[nH]1)c1ccc(C)cc1 49609474 HAAUAMKAQZHZPE-QGZVFWFLSA-N 321.424 3.781 0 40 DHAB COc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccccc2F)cc1 58172610 SDMUYQFKKRLYDS-CYBMUJFWSA-N 316.376 3.929 0 40 DHAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 59227321 OLEWWVKENHHGQP-INIZCTEOSA-N 322.408 3.549 0 40 DHAB O=C(c1sc(-n2cccc2)nc1-c1ccccc1)N1CCCC1 61719933 ZVTLNAMDJUYCLD-UHFFFAOYSA-N 323.421 3.837 0 40 DHAB O=C(c1ccc2c(c1)COC2)N1CCCCC[C@@H]1c1ccncc1 64390578 JNCVEMNPLVXLJO-LJQANCHMSA-N 322.408 3.869 0 40 DHAB CCN(CC)c1ccc(C(=O)N2CCCCCCC2)c(O)c1 65041055 ZTBGNAQEEOZPEB-UHFFFAOYSA-N 304.434 3.645 0 40 DHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCc1ccsc1 69456665 PGOSKDXYAJXWLF-UHFFFAOYSA-N 324.352 3.556 0 40 DHAB O=C1C/C(=C\c2cccc3[nH]ccc23)C(=O)N1Cc1ccccc1 70666339 MHHJJOPOSOWAKS-LFIBNONCSA-N 316.360 3.510 0 40 DHAB biogenic CCN(C(=O)c1ccc(OC)cc1OC)c1ccc(F)cc1 71800355 ZCARBWRZPFMJAZ-UHFFFAOYSA-N 303.333 3.510 0 40 DHAB Cc1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3)n2)o1 72366754 NTYRXICVRXATBU-QGZVFWFLSA-N 308.385 3.506 0 40 DHAB Cc1ccnc(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 79440837 TYMLVMCQAMQQKW-ZDUSSCGKSA-N 308.447 3.739 0 40 DHAB CC(C)c1nc(CC(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cs1 84630973 AECJDWVJCAUESS-CABCVRRESA-N 318.417 3.620 0 40 DHAB Cc1onc(-c2cc(Cl)ccc2Br)c1C(=O)O 90251039 FTRKWHKBGZHDRN-UHFFFAOYSA-N 316.538 3.764 0 40 DHAB Cc1ccc(-c2nc(N3CCCC3)sc2CC(=O)O)cc1C 95097105 GVLUOEJBQSIVRA-UHFFFAOYSA-N 316.426 3.654 0 40 DHAB C[C@@H]1C[C@H](Nc2ccc(OCc3ccco3)c(Cl)c2)C(=O)O1 95395931 FFMRXFYGNQTBRU-YGRLFVJLSA-N 321.760 3.628 0 40 DHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H]1C=CCCC1 95411739 QRPGAAIEJXOPSV-AWEZNQCLSA-N 324.384 3.808 0 40 DHAB C[C@@H](c1ccc2ccccc2c1)N(C)CCCCS(C)(=O)=O 95413828 WCVGWLBSBIEJRV-HNNXBMFYSA-N 319.470 3.657 0 40 DHAB CCOc1ccccc1N(C)C(=O)c1coc(Br)c1 95438323 JPGBPOQIDPIRCR-UHFFFAOYSA-N 324.174 3.717 0 40 DHAB CC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1 95444909 DZARSJGLVKICQH-UHFFFAOYSA-N 308.259 3.555 0 40 DHAB CSc1ccc([C@H](O)CNC(=O)c2ccccc2Cl)cc1 96103050 PXGCQICVJIOFMH-OAHLLOKOSA-N 321.829 3.525 0 40 DHAB COC(=O)c1ccc2nc(SCc3nc(C)c(C)o3)oc2c1 96409195 BPDBLKSZOKXSRS-UHFFFAOYSA-N 318.354 3.512 0 40 DHAB Cc1cccc([C@@H](C)CNC(=O)N(C)[C@H](C)c2ccncc2)c1 96421642 KFLABRZNZDONGO-JKSUJKDBSA-N 311.429 3.896 0 40 DHAB CC(C)NC(=O)Nc1ccc([C@H](C)NC[C@H]2CCCS2)cc1 96479275 ZULMEJBMFFLHSK-XJKSGUPXSA-N 321.490 3.763 0 40 DHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)[C@@H]1C=C[C@@H]2C12CC2 100055257 FFCPUXZOBLGGJA-XSLAGTTESA-N 315.372 3.541 0 40 DHAB Cc1cc(COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)no1 102343422 KZEWTQLBKVGSLC-CPWXYTRJSA-N 309.793 3.604 0 40 DHAB O=C1[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C(=O)N1c1ccc(F)cc1 102599689 SMDZYQJWXPSKRL-QGTPRVQTSA-N 323.367 3.899 0 40 DHAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(Cl)cc1 102763318 KQMOTYYULFGANT-OAHLLOKOSA-N 312.756 3.562 0 40 DHAB c1ccc(CCN2CCOc3nc4ccccc4cc3C2)cc1 105854251 PAQORFAIXNNCHC-UHFFFAOYSA-N 304.393 3.672 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(F)cc1 113959524 ZOAVURSAPPHKCR-QGZVFWFLSA-N 301.361 3.608 0 40 DHAB C[C@@H]1C[C@H](c2cccnc2)N(Cc2nc3ccccc3n2C)C1 190961483 BUVJDJZXNPLQCC-RDTXWAMCSA-N 306.413 3.551 0 40 DHAB COc1ccc(Br)cc1-c1nc2ccc(N)cc2o1 216730349 QIZMGBZJLYXQBQ-UHFFFAOYSA-N 319.158 3.848 0 40 DHAB COc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225102613 CWELRCGWSTWOSB-SFHVURJKSA-N 314.381 3.695 0 40 DHAB CN(C)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225150962 VZHIZYAXNANWDB-OAHLLOKOSA-N 319.788 3.690 0 40 DHAB Cc1ccc(CC(=O)NCc2cccc(OC(C)C)c2)c(C)c1 225296668 XPXNRMRXASARAP-UHFFFAOYSA-N 311.425 3.950 0 40 DHAB Cc1n[nH]nc1C(=O)Nc1cccc(SCC2CCCC2)c1 225721873 BTGMUZBMAQZYKZ-UHFFFAOYSA-N 316.430 3.648 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@]2(c3cccc(Cl)c3)O[C@@H]2C1 242425597 BQBTXSZGAQQARH-CZUORRHYSA-N 309.793 3.575 0 40 DHAB CCOc1ccc(O[C@@H](C)c2nnc([C@H]3CCCCO3)o2)cc1 521393797 DZPSQJSRHSFCNA-SWLSCSKDSA-N 318.373 3.850 0 40 DHAB COc1ccc(CCNCc2ccc3nc[nH]c3c2)c(Cl)c1 532374337 IIHPBRHKORZCPQ-UHFFFAOYSA-N 315.804 3.557 0 40 DHAB COC(=O)c1cc(Cl)ccc1C(=O)CCc1ccccc1 575362057 YAYOLLNXWSEFPO-UHFFFAOYSA-N 302.757 3.942 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(Br)c(F)c1 575362198 MTQWWSWQFMJAQH-UHFFFAOYSA-N 317.154 3.504 0 40 DHAB CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)Oc2ncccc21 2362803115 GPYPKLYJDVJBAQ-OAHLLOKOSA-N 312.369 3.957 0 40 DHAB COc1ccc(OC[C@@H]2CN(C)CC[C@H]2c2ccccc2)cc1 1420 OJSFTALXCYKKFQ-PXNSSMCTSA-N 311.425 3.810 0 40 DHAB in-vitro O=C(CSc1ccccn1)Nc1cccc(C(F)(F)F)c1 31453 JRDFGRRDZQNWAW-UHFFFAOYSA-N 312.316 3.831 0 40 DHAB COc1ccc([C@@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 340717 DEEATEZDZDETJW-WOJBJXKFSA-N 311.425 3.608 0 40 DHAB Cc1ccn2c(NC[C@H]3CCCO3)c(-c3ccccc3)nc2c1 417329 DKUZPZWXJHLFCI-MRXNPFEDSA-N 307.397 3.901 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1cc(C)ccc1C 574312 GCDWONUIZOIWMD-ZHACJKMWSA-N 311.381 3.973 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN[C@H](C)c1ccccc1 2694372 RKIYHUWPPCZGFT-AEFFLSMTSA-N 313.441 3.901 0 40 DHAB Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(C)c1 2966152 KUSUFICDGNHDNE-NRFANRHFSA-N 321.444 3.564 0 40 DHAB COc1ccc(/C=C/C(=O)N2CCCc3ccccc32)cc1OC 3194211 IEZALXAOSYRCAN-ZRDIBKRKSA-N 323.392 3.696 0 40 DHAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 3547702 ROLOHTQDSNEXRR-UHFFFAOYSA-N 301.317 3.643 0 40 DHAB CCN(C1CCCCC1)S(=O)(=O)Cc1ccc(Cl)cc1 4785084 OFVBOTGHFNGZDZ-UHFFFAOYSA-N 315.866 3.824 0 40 DHAB Cc1cc(COC(=O)c2ccccc2Cc2ccccc2)no1 5281650 XQUKZTQVKAONPO-UHFFFAOYSA-N 307.349 3.931 0 40 DHAB O=C(Cc1ccccc1F)N[C@@H]1CCSc2ccccc21 5425899 JGLJXTZDNSWDHT-OAHLLOKOSA-N 301.386 3.722 0 40 DHAB O=C(Nc1nonc1-c1cccs1)c1cccc(Cl)c1 5487044 SGYGQCCTLRFTMW-UHFFFAOYSA-N 305.746 3.704 0 40 DHAB Cc1ccc(C)c(C2(C)CC([C@@H](O)CN3CCCCC3)C2)c1 5542418 LGUVWUSWYOZZAT-SYYJFZTOSA-N 301.474 3.818 0 40 DHAB Cc1cc2occ(CC(=O)O[C@@H]3CCCCC3=O)c2cc1C 5628189 HHCLBICIXVRZCN-MRXNPFEDSA-N 300.354 3.647 0 40 DHAB CCN(CC)C[C@H](Cc1ccccc1)OC(=O)c1ccccc1 6382455 DKBDJHZDEDMZPN-IBGZPJMESA-N 311.425 3.797 0 40 DHAB CCCCc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 6652846 IMWIIZSFFCGVLO-WMLDXEAASA-N 316.445 3.663 0 40 DHAB CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C)n1 6810434 KRFYHDRGZJRYPZ-UHFFFAOYSA-N 307.806 3.803 0 40 DHAB O=C(COc1ccc(-c2nnco2)cc1)c1ccc(Cl)s1 7003385 IPZFOFNGMWEALN-UHFFFAOYSA-N 320.757 3.713 0 40 DHAB NC(=O)CCSc1ncc(-c2ccccc2)n1-c1ccccc1 7043238 WLARLAHUGDBARL-UHFFFAOYSA-N 323.421 3.507 0 40 DHAB CCOc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1 7899529 WPUCGMWSXOAMRO-UHFFFAOYSA-N 319.788 3.548 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cl)c1 8007509 KXXKNSBSQJBFQU-ZDUSSCGKSA-N 324.808 3.678 0 40 DHAB O=C1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1 8297641 JPFLGPFNVPUOFR-UHFFFAOYSA-N 308.362 3.677 0 40 DHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)c3n[nH]cc3C[C@@H]12 8615309 WOAIFOIONHSFPQ-JYLNUJPASA-N 314.473 3.827 0 40 DHAB CSCc1csc(NC(=O)c2ccc(F)c(F)c2)n1 12230126 ZFNZHGNTKNFGDX-UHFFFAOYSA-N 300.355 3.537 0 40 DHAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC=CCC1 13006007 FUPFFSFXYBTXAK-QWHCGFSZSA-N 319.426 3.635 0 40 DHAB CN(CCOc1ccccc1F)C(=O)c1cc2ccccc2o1 16112663 FFSKGHVJKCBPPR-UHFFFAOYSA-N 313.328 3.723 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H](F)C[C@]34C)[C@@H]1CC[C@@H]2O 17312582 QBAHMYSNLVHPJQ-UCPSWNCLSA-N 308.437 3.907 0 40 DHAB COc1ccccc1NC(=O)N1CCc2sccc2[C@H]1C 17743184 FCGLYNICVXEQNT-LLVKDONJSA-N 302.399 3.908 0 40 DHAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 20485589 KTDFSMQQCDZXIO-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2C[C@H]2C)c2ccccc2)cc1 20976081 WPZORLNZTXBGHQ-ZTFGCOKTSA-N 323.392 3.874 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)NCCc1cccs1 23080487 KQHSKJXZYYITIR-UHFFFAOYSA-N 312.438 3.911 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc3cnccc23)cc1C 28248567 KCZKOXXWYQMHPT-UHFFFAOYSA-N 312.394 3.652 0 40 DHAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](OCC(F)(F)F)C2)cc1 32818338 NZDKNAUVVSKDLS-ZIAGYGMSSA-N 315.335 3.615 0 40 DHAB Cc1cc(C(F)(F)F)n2nc(SCc3ccccc3)nc2n1 34238355 KRTXLIDTXPDVCS-UHFFFAOYSA-N 324.331 3.744 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)c2cc(C)nc3onc(C)c23)c(C)c1 36613768 KDMYOSDDQCFIRS-CYBMUJFWSA-N 323.396 3.947 0 40 DHAB Cc1nc([C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1 36915318 QBWMBZCMEXXOIL-JTQLQIEISA-N 301.415 3.973 0 40 DHAB in-vitro Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)c2nc(C)cs2)c1 40145562 GIUXCNSOBIDWPQ-LLVKDONJSA-N 324.833 3.844 0 40 DHAB COc1ccc(CN(C)Cc2cccc(Cl)c2)cc1OC 40161831 OUXJVSFZIARBEY-UHFFFAOYSA-N 305.805 3.989 0 40 DHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)c1 40473016 FMVPBPFTUROYQW-WMLDXEAASA-N 315.413 3.724 0 40 DHAB CC(C)c1cc(C(=O)N[C@@H](C)c2ccncc2)nn1C(C)(C)C 44313004 DKAJLLPTHOGVKL-ZDUSSCGKSA-N 314.433 3.648 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)c2ccnc(Cl)c2)cc1 44606850 WGWWQLTZWIGPKH-UHFFFAOYSA-N 319.748 3.556 0 40 DHAB Cc1ccc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)cn1 46399605 OKNJUQFZMUXJFT-UHFFFAOYSA-N 324.424 3.690 0 40 DHAB CC(C)(C)[C@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 54397200 WETPLCDCMODJGR-LJQANCHMSA-N 321.424 3.572 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1N 57340485 JASBHYSTWKORLM-UHFFFAOYSA-N 312.413 3.892 0 40 DHAB c1ccc(-c2ccc3ncccc3c2)c(CN2CCOCC2)c1 65507560 HERMQHZCDNSFMT-UHFFFAOYSA-N 304.393 3.734 0 40 DHAB Cc1ccc(NC(=O)C2CCOCC2)c(SC(F)(F)F)c1 69452492 LJHMCOPZWFYQKW-UHFFFAOYSA-N 319.348 3.972 0 40 DHAB Cc1nc(NC2CCCCC2)sc1C(=O)NC1CCCC1 71326675 MHDPNTRSNMMPMO-UHFFFAOYSA-N 307.463 3.869 0 40 DHAB CNc1ncc([C@@H]2CCCCN2C(=O)c2ccccc2)cc1C 72219016 DPLMSAHVUVOKDZ-KRWDZBQOSA-N 309.413 3.799 0 40 DHAB Cc1ccc(NCc2cccc3cn[nH]c23)cc1O[C@H]1CCOC1 84050990 FQYCJAJAPFGFKP-KRWDZBQOSA-N 323.396 3.651 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(OCC(C)C)CC2)s1 84205322 RVDZNEUFOFMVHU-CVEARBPZSA-N 321.486 3.824 0 40 DHAB CC1(C)C[C@@H](NC(=O)CC2(n3cccc3)CCCCC2)CCO1 85874971 ZCLZODKSRZEXNU-INIZCTEOSA-N 318.461 3.611 0 40 DHAB biogenic CN(C)C[C@@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 89844291 PDCVUUYYTAZEIN-SFHVURJKSA-N 312.413 3.503 0 40 DHAB C[C@@H](NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccnc1 92741270 IOZJKFFQOXQYPD-KGLIPLIRSA-N 317.383 3.537 0 40 DHAB c1ccc2c(c1)ncn2CCCNc1ncnc2ccsc12 95469792 AQGRNCVEVYWHLW-UHFFFAOYSA-N 309.398 3.543 0 40 DHAB FC(F)(F)/C=C(/Br)C(F)(F)Br 96268949 VDBSJDJYQXHGCV-OWOJBTEDSA-N 303.850 3.815 0 40 DHAB Cc1ccc(Oc2oc(-c3ccc(C)cc3)nc2C(N)=O)cc1 96346161 GEEZKKNWZIIKCO-UHFFFAOYSA-N 308.337 3.850 0 40 DHAB CCCN(CCC)C[C@@H](O)CO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213693 WLHJRBJPHRKJAX-ZMMAXQRCSA-N 311.510 3.701 0 40 DHAB CC(C)Oc1ccccc1C(=O)Nc1nnc(C(C)C)s1 105944470 ATCSIHJOOLZTGL-UHFFFAOYSA-N 305.403 3.701 0 40 DHAB O=C(CSCc1ccc(Cl)cc1F)N1CCCCC1 187954652 XIXLGUMSHFQYRQ-UHFFFAOYSA-N 301.814 3.725 0 40 DHAB COc1cccc2c1c(C=O)cn2C(=O)OCc1ccccc1 199813319 HSPTVAGEKKBAES-UHFFFAOYSA-N 309.321 3.647 0 40 DHAB CNC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224297737 LNFWXSLJIAOXPS-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB C[C@H](COc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 225311471 UFOQXZAEVAPHPQ-CQSZACIVSA-N 317.816 3.856 0 40 DHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1 225693730 IDSITHZAEJXPJS-GOSISDBHSA-N 323.433 3.636 0 40 DHAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCSC[C@H]3C[C@@H]21 257241672 HZAPVLVLKGGOCJ-UEEZHKSASA-N 306.427 3.763 0 40 DHAB Cc1nc(-c2ncc(C)s2)cc([C@@H]2CCCN(C(C)C)C2)n1 257262492 LLPMZCVFVLWWLW-CQSZACIVSA-N 316.474 3.805 0 40 DHAB Cc1cc(C=O)c(C)n1NC(=O)c1ccc(Cl)c(Cl)c1 408568738 WNLRTJADROACFE-UHFFFAOYSA-N 311.168 3.608 0 40 DHAB CCCCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 409212204 QBEQHQFMWYBHHY-ZROIWOOFSA-N 319.382 3.642 0 40 DHAB O[C@@H]1[C@@H](NCC2CCCCC2)CCC[C@H]1Oc1ccccc1 585288680 HJHCOXQPUZMFAX-IPMKNSEASA-N 303.446 3.517 0 40 DHAB Cc1cccnc1CN1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 643914827 XSLIYCNAYXJNQW-PMOLBWCYSA-N 322.452 3.817 0 40 DHAB CN(c1ccccn1)C1CCN(c2ccnc3ccsc23)CC1 2086889779 CJYGNVOWKQPSJG-UHFFFAOYSA-N 324.453 3.797 0 40 DHAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccco1 192575 NYRORONHQWHQNN-GHXNOFRVSA-N 308.120 3.931 0 40 DHAB Cc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 328320 MUEHPLPJJJNTKH-UHFFFAOYSA-N 320.344 3.809 0 40 DHAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)N1CCCC1 418665 AVDSPYPGFWBJES-UHFFFAOYSA-N 314.454 3.875 0 40 DHAB COc1ccc(-c2cnc(NCc3cccc(F)c3)n2C)cc1 819135 AFWOPYPQVJCESC-UHFFFAOYSA-N 311.360 3.847 0 40 DHAB COc1ccccc1OC(=O)c1ccc(SC)cc1OC 3282190 KMPWVCWCOMKIEC-UHFFFAOYSA-N 304.367 3.645 0 40 DHAB COc1cc(C=O)ccc1OC(=O)c1csc2c1CCCC2 3346354 YEGCVYZFRBFXOK-UHFFFAOYSA-N 316.378 3.667 0 40 DHAB CCCCC[C@]1(Br)C(=O)Nc2ccccc2C1=O 4844193 AZJAILLONBUZEX-CQSZACIVSA-N 310.191 3.535 0 40 DHAB O=c1ccc(-c2ccccc2)nn1Cc1c(F)cccc1Cl 5388302 KYBYOKSGCLJZJA-UHFFFAOYSA-N 314.747 3.751 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2Cl)c1 5609808 KHORONUZZQFVEJ-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(F)cc1F 6354675 RDZODCYYGBWOIO-UHFFFAOYSA-N 315.275 3.977 0 40 DHAB CC(C)c1ccccc1OC[C@@H](O)CN1C[C@H](C)C[C@@H](C)C1 6455366 GNUQLAUHEYANBI-ZACQAIPSSA-N 305.462 3.528 0 40 DHAB c1ccc(-c2cnc(COc3ncnc4ccccc34)o2)cc1 6542470 UMHIQBIWRCSDBY-UHFFFAOYSA-N 303.321 3.864 0 40 DHAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccccc1 6589749 MDMTZPRPJVRWAR-UHFFFAOYSA-N 321.380 3.787 0 40 DHAB CC1CCN(CC(=O)Nc2ccccc2SC(F)F)CC1 7448794 QXSMWIZPRKAISN-UHFFFAOYSA-N 314.401 3.672 0 40 DHAB COc1ccccc1CC(=O)Nc1ccc(-c2nccs2)cc1 7683957 RGZURYLQRNHLLP-UHFFFAOYSA-N 324.405 4.000 0 40 DHAB COc1ccc(C)cc1NC(=O)CCc1cc(C(C)=O)c(C)o1 8113869 MMVIXEAXSKJZNI-UHFFFAOYSA-N 315.369 3.679 0 40 DHAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN1CCC[C@@H](C)C1 8717523 XCHYXSOBLQFCNN-CYBMUJFWSA-N 313.445 3.547 0 40 DHAB CSCc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)oc2ccccc12 9314551 PAPKODLNGNVSEY-RYUDHWBXSA-N 319.426 3.545 0 40 DHAB O=C(Nc1ccc(Cl)c(Br)c1)c1ccco1 9615104 UCUZQGLKOUBCOB-UHFFFAOYSA-N 300.539 3.948 0 40 DHAB CCC[C@H](C)NC(=O)c1csc(COc2ccc(F)cc2)n1 12905712 BTCVNQHBWDXEQM-NSHDSACASA-N 322.405 3.780 0 40 DHAB Fc1cc(Br)ccc1NC(=S)NC1CCCC1 13788512 PBBBJGYGOVBURP-UHFFFAOYSA-N 317.227 3.817 0 40 DHAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1c(F)cccc1F 14077188 VCRKODWEOYVSMM-INIZCTEOSA-N 316.351 3.740 0 40 DHAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1nccs1 14112112 YPDYFBHBZWOIQK-UHFFFAOYSA-N 319.386 3.587 0 40 DHAB O=C(CCSc1ccccc1F)Nc1ccc2c(c1)OCO2 14135426 FCFKAOMMRCONPS-UHFFFAOYSA-N 319.357 3.675 0 40 DHAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 16086501 RJBZGEXHHRYUGC-JTQLQIEISA-N 313.781 3.519 0 40 DHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1N 19232415 CIAYUSVYLIYZIP-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB CCOCCCNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 20495581 SKULVTCYNMXFMX-GOSISDBHSA-N 315.413 3.540 0 40 DHAB COc1ccc(CCNc2nc3ccccc3nc2C)cc1OC 29401518 SLAUKCWLSVWYFW-UHFFFAOYSA-N 323.396 3.610 0 40 DHAB Cc1nc2cc(NC(=O)CCNc3ccccc3C)ccc2o1 32451758 WVZMBSUZSZIPKX-UHFFFAOYSA-N 309.369 3.885 0 40 DHAB COc1ccc(CNc2cc(C)nc3nc4ccccc4n23)cc1 35310962 ZQZSICGSIQUHGD-UHFFFAOYSA-N 318.380 3.812 0 40 DHAB O=C(c1ccc(Cl)o1)N1CCC(c2ccc(O)cc2)CC1 37497590 PVDUEEZBNURWEW-UHFFFAOYSA-N 305.761 3.658 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 38696799 PHFZQJCSYFOYAF-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB CCc1nc(NC(=O)c2ccccc2OC(F)F)sc1C 40119014 LHHJIGAWBMEQHF-UHFFFAOYSA-N 312.341 3.868 0 40 DHAB Cc1cccc2nc(CN(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cn12 51501654 RRIMJGXUSMYTRF-SUMWQHHRSA-N 309.413 3.991 0 40 DHAB C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1 54583588 XEXKQQSFZPIIMF-NHYWBVRUSA-N 322.330 3.583 0 40 DHAB CC(C)C[C@H](NC(=O)NCc1cccnc1)c1cccs1 57394417 WKKYJIMSRCUJBX-AWEZNQCLSA-N 303.431 3.730 0 40 DHAB O=C1CCCc2cc(-c3csc(-c4cnccn4)n3)ccc2N1 58142687 NOJITDYEYJCRKX-UHFFFAOYSA-N 322.393 3.542 0 40 DHAB CC(C)(C)c1ncc(NC(=O)CCn2ccc3ccccc32)cn1 58420225 KYUJLEUKQPDIFV-UHFFFAOYSA-N 322.412 3.758 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1Cc1cccc(Cl)c1 67323777 MJFRXZWPOWXDBO-UHFFFAOYSA-N 322.191 3.915 0 40 DHAB C[C@H](c1ccccn1)N(C)C(=O)c1ccc(OCC2CC2)cc1 68000358 FWNDNPPXTAHWCG-CQSZACIVSA-N 310.397 3.704 0 40 DHAB O=C(c1cnccn1)N(Cc1ccccc1Cl)C1CCCC1 69844720 QUKKSTXXJRLSPQ-UHFFFAOYSA-N 315.804 3.715 0 40 DHAB CC[C@H](c1ccccc1)N(CC)C(=O)Cc1c(C)nn(C)c1C 71800854 BOACVZZTEQLWKI-GOSISDBHSA-N 313.445 3.579 0 40 DHAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCCCCC1 72222481 CWDQQJIRYZKIPC-UHFFFAOYSA-N 319.449 3.795 0 40 DHAB Cc1ccc(CN2CCOc3nc4c(C)cccc4cc3C2)o1 72392465 XJYZMZLEVBHGKN-UHFFFAOYSA-N 308.381 3.839 0 40 DHAB CC(C)C(=O)N1CC[C@H](N[C@@H](C)c2cc(F)ccc2F)[C@H](C)C1 76056437 AESHEFFZZCIMHS-IGCXYCKISA-N 324.415 3.508 0 40 DHAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(F)cc1 80344815 SKTQIUUYDKMAKM-INIZCTEOSA-N 301.361 3.722 0 40 DHAB O=C(NCc1ccc(-c2ccccc2)o1)[C@H]1C[C@@H]1c1ccco1 84562705 OSSRJIQUNQOCDX-HOTGVXAUSA-N 307.349 3.960 0 40 DHAB CC(=O)O[C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 85722618 QWMWZEMANMVJOO-VBKZILBWSA-N 323.392 3.725 0 40 DHAB CCc1cccc(CC)c1NC(=O)N[C@H](C)C1CCOCC1 89289558 BKZBVXQDCSRFBG-CYBMUJFWSA-N 304.434 3.748 0 40 DHAB C[C@H](CC(=O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12 89894663 NTCZYRVLFOFYSH-CYBMUJFWSA-N 306.365 3.559 0 40 DHAB Cc1ccc(CN(Cc2c[nH]nc2-c2cccnc2)C(C)C)o1 92147040 MRKRYGOWXIBOEM-UHFFFAOYSA-N 310.401 3.784 0 40 DHAB Cc1cc(C(=O)N[C@@H]2CC[C@H]2c2ccccc2)c2c(C)noc2n1 95403678 MQPBUZLAUYMENE-GOEBONIOSA-N 321.380 3.516 0 40 DHAB Cc1nc(C2CCCC2)sc1C(=O)Nc1n[nH]c(C(C)C)n1 96430853 YMJMTIOQEFICQQ-UHFFFAOYSA-N 319.434 3.603 0 40 DHAB Cc1cc(OC(C)C)ccc1NC(=O)CC1C[C@@H]2CC[C@H](C1)N2 96450286 QLEIOJHVFHXXIO-MQVJKMGUSA-N 316.445 3.641 0 40 DHAB COc1cc([C@@H](C)Nc2ccc(C)cc2)ccc1S(C)(=O)=O 97231435 BBHWRHKBDYULHV-CYBMUJFWSA-N 319.426 3.580 0 40 DHAB Cc1cc(N2Cc3ccccc3N(C)C[C@H]2C)nc(C2CC2)n1 108354837 YEDNZNSYYSPPGF-CQSZACIVSA-N 308.429 3.507 0 40 DHAB O=C(Nc1cccc2nsnc12)c1ncc(-c2ccccc2)o1 206585319 UPRGJVVTXXSSJD-UHFFFAOYSA-N 322.349 3.599 0 40 DHAB O=C(c1ccco1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219318319 IBDYBLMZONQILP-OAHLLOKOSA-N 323.364 3.878 0 40 DHAB CCc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225042588 NTDQCCTZPPKEHC-INIZCTEOSA-N 304.773 3.977 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC[C@H](C)C1 225425630 JBVPPLOBVBCMRB-HNAYVOBHSA-N 315.457 3.981 0 40 DHAB Cc1cc(N)c(NC(=O)COc2c(C)cccc2C)cc1Cl 226358975 INMMAFDCDBHHEQ-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C 226724862 FXMYFPOBYHRDNB-YESZJQIVSA-N 305.462 3.813 0 40 DHAB CCc1ccc(C(=O)[C@@H](Br)CBr)cc1 382674872 MDFVKRCFHGSXJR-JTQLQIEISA-N 320.024 3.590 0 40 DHAB Cc1ccc2[nH]c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cc2c1C 585083341 SDXIXLHCHVBWAF-AWEZNQCLSA-N 310.319 3.855 0 40 DHAB CCc1cc(-c2nc(C3(c4cccc(OC)c4)CCC3)no2)n[nH]1 585084430 ZOLCJBPGSCVTDH-UHFFFAOYSA-N 324.384 3.501 0 40 DHAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccsc1 618256968 PHXQMIQVNCZGFT-CYBMUJFWSA-N 303.408 3.965 0 40 DHAB C[C@H](Cc1csc2ccccc12)Nc1ncnc2c1cnn2C 1775972727 SQLBGRMAVSWONX-LLVKDONJSA-N 323.425 3.621 0 40 DHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(C2CC2)ncn1 1888866420 ZMHLEXWAVLUBAD-UHFFFAOYSA-N 308.168 3.913 0 40 DHAB CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(F)(F)F 146191 PTYMRIQMPSAKEB-UHFFFAOYSA-N 304.337 3.565 0 40 DHAB COc1ccccc1N1C(=O)S/C(=C\c2ccccc2)C1=O 1235754 VOHLRIKNGLMDQM-PTNGSMBKSA-N 311.362 3.936 0 40 DHAB O=C(Nc1ccc(F)c(F)c1)c1cnc(Cl)c(Cl)c1 2649808 ULZJIUBIRIKWBM-UHFFFAOYSA-N 303.095 3.919 0 40 DHAB CC(=O)Nc1scc(-c2ccc(CC(C)C)cc2)c1C(N)=O 2806011 OEMXTCOUCPEHOC-UHFFFAOYSA-N 316.426 3.671 0 40 DHAB O=C(c1c(Cl)nc2sccn12)N1CCCc2ccccc21 3176650 CMDZWIOCNBJDOK-UHFFFAOYSA-N 317.801 3.642 0 40 DHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1 3533788 OMYJSEWDRODFLW-UHFFFAOYSA-N 312.266 3.895 0 40 DHAB COC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 3958757 KOKDRUVNHUWZGW-UHFFFAOYSA-N 313.397 3.628 0 40 DHAB O=C(NC[C@H]1COC2(CCCCC2)O1)Nc1ccc(Cl)cc1 4941240 WWZGWTFIFVKEIM-AWEZNQCLSA-N 324.808 3.537 0 40 DHAB CN(C)[C@H]1c2ccccc2-c2ccc(NC(=O)C(F)(F)F)cc21 4975126 NQIVGJNQMGRQER-HNNXBMFYSA-N 320.314 3.819 0 40 DHAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1cccs1 5441220 AJTSKXNKAUDYOJ-UHFFFAOYSA-N 300.383 3.517 0 40 DHAB CCC[C@H](CNC1CCCCC1)OC(=O)c1ccc(N)cc1 5839122 RBYCFFUXGBVXCR-QGZVFWFLSA-N 304.434 3.517 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1csc2c1CCCC2 6805787 UECCAMSXLPSGJA-UHFFFAOYSA-N 315.394 3.666 0 40 DHAB CCN(C(=O)COC(=O)c1cccc(Cl)c1)c1ccccc1 6950679 CBPSETSTMWUPQU-UHFFFAOYSA-N 317.772 3.550 0 40 DHAB NC(=O)c1cc(Cl)ccc1OCc1c(F)cccc1Cl 7022512 XNCSVRHMWJTPCF-UHFFFAOYSA-N 314.143 3.810 0 40 DHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2c(s1)CCC2 8073386 KEEVZFWTBYAWLI-UHFFFAOYSA-N 315.394 3.650 0 40 DHAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1 8762030 YTCROHQVWZYYCI-UHFFFAOYSA-N 306.365 3.591 0 40 DHAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c(OC)c1 9315298 FITHILFBFUBBOR-ZIAGYGMSSA-N 315.344 3.585 0 40 DHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCCCC1 9515341 ABHRKBZFYHOSTM-SNVBAGLBSA-N 301.217 3.806 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 11427658 GGMCAPKTKJHDQD-QGZVFWFLSA-N 313.422 3.968 0 40 DHAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CC=CCC1 13006006 FUPFFSFXYBTXAK-CHWSQXEVSA-N 319.426 3.635 0 40 DHAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(C(=O)O)cc1 13166500 WQMDYOIRHBTBAM-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB COc1ccc(CCC(=O)Nc2ccc(C)cc2F)cc1OC 15574337 CXNBGWITGYEWDS-UHFFFAOYSA-N 317.360 3.723 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)c1ccccc1 21555400 GKJFJLGMUGGDOL-UHFFFAOYSA-N 319.408 3.825 0 40 DHAB O=C(CCc1ccccc1O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 23387224 PGSKNOHOLBQFGT-QWHCGFSZSA-N 315.335 3.562 0 40 DHAB O=C(NCc1ccco1)c1ccc(COc2ccc(F)cc2)o1 27980034 ZXFHYKXGZADBLB-UHFFFAOYSA-N 315.300 3.521 0 40 DHAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 32797125 CKXMPQZTPAMWBA-LLVKDONJSA-N 320.339 3.803 0 40 DHAB C[C@H](NC(=O)CN(C)[C@H](C)c1ccc(F)cc1)c1cccs1 34858295 BQNAAVKGLGICED-QWHCGFSZSA-N 320.433 3.757 0 40 DHAB CCN1CCC[C@@H]1CNCc1cc(Cl)ccc1OC(F)F 35054721 VFGLOEPKEDQYND-CYBMUJFWSA-N 318.795 3.515 0 40 DHAB COC(=O)c1c(COCc2ccc(Cl)cc2)cccc1OC 35973515 HLNBLTVZRCYZMG-UHFFFAOYSA-N 320.772 3.852 0 40 DHAB CC(C)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 37530304 SHFCKFJTPRMDBZ-BQFCYCMXSA-N 305.462 3.528 0 40 DHAB O=C(Nc1cccc2ncccc12)c1cc(-c2cccs2)n[nH]1 38488645 ISKWUDNTGGMLIZ-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB Cc1cc([C@@H](C)NC(=O)Nc2nnc(C3CC3)s2)c(C)s1 40103201 MCYSQNZOOPYDKF-MRVPVSSYSA-N 322.459 3.977 0 40 DHAB CCc1nc(NC(=O)c2cc(OC)c(C)c(OC)c2)sc1C 40118933 UPXMFLHXNSECMM-UHFFFAOYSA-N 320.414 3.592 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)Nc2cccc3cnccc23)no1 43161212 UYAMNEDZZDVYJR-KRWDZBQOSA-N 322.368 3.900 0 40 DHAB O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 54376356 LJSOAOUVZPTTCP-QGZVFWFLSA-N 320.396 3.610 0 40 DHAB CCCN(C)C(=O)NCCc1ccc(-c2csc(C)n2)s1 57610271 ONXQPESHGOQOPV-UHFFFAOYSA-N 323.487 3.774 0 40 DHAB O=C(O)CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O 62702312 WQDVGYCEBWCUAP-UHFFFAOYSA-N 321.332 3.617 0 40 DHAB CC(=O)c1ccccc1NC(=O)CNc1ccc(C)c(Cl)c1 69449886 HDDHDVVXMNYNJB-UHFFFAOYSA-N 316.788 3.902 0 40 DHAB CC(C)CC(=O)Nc1cccnc1Oc1ccc2c(c1)OCO2 71280309 BTHVFMQRJUFTGY-UHFFFAOYSA-N 314.341 3.587 0 40 DHAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C[C@@H]1c1ccco1 71834994 XQGUNDHTJBXPCU-MELADBBJSA-N 301.411 3.981 0 40 DHAB CCCc1nc([C@H](NC(=O)c2ccccc2)c2ccccc2)no1 71914368 QFFGXDALEAGWQA-QGZVFWFLSA-N 321.380 3.542 0 40 DHAB Cc1ccc(-n2ccnc2)c(C(=O)Nc2cc(F)ccc2C)c1 72283573 IVKLFMBUCXROMZ-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB COc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1OC 72331529 MXXDEXBYJVEJKQ-UHFFFAOYSA-N 313.397 3.757 0 40 DHAB FC(F)(F)c1ccc(-c2cnc(C3CCNCC3)cn2)cc1 72363370 APKGRTPHTUGUJL-UHFFFAOYSA-N 307.319 3.629 0 40 DHAB COc1ccc([C@H]2CCN(C(=O)c3ccccc3C(C)=O)C2)cc1 81025601 OAZQDIYCSIWXCO-INIZCTEOSA-N 323.392 3.528 0 40 DHAB c1ccc(CNC[C@@H]2CCCN(Cc3cccs3)C2)cc1 82169985 RVZBMPXOBWFPHX-KRWDZBQOSA-N 300.471 3.750 0 40 DHAB O=C(C[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccco1 84578911 CVAYIXFWHQDWSX-GDBMZVCRSA-N 311.381 3.900 0 40 DHAB Oc1ccc(CN(CC2CC2)c2ncnc3sccc23)cc1 89638887 OJIZSYXHXMQJAE-UHFFFAOYSA-N 311.410 3.814 0 40 DHAB F[C@@]1(Cl)Oc2cc(Br)ccc2O[C@]1(F)Cl 91252150 DEVDQAXVEGUCIT-JGVFFNPUSA-N 319.916 3.945 0 40 DHAB CC(C)(C)C(=O)c1ccsc1NC(=O)c1ncncc1Cl 95427932 DWISAGNGNSGMKM-UHFFFAOYSA-N 323.805 3.673 0 40 DHAB O=C(CC1=CCCCC1)N(Cc1ccccn1)c1ccncc1 95456498 VGEYGQBTUNALKC-UHFFFAOYSA-N 307.397 3.900 0 40 DHAB C[C@H](O)CC(C)(C)CNC(=O)c1cc(Cl)ccc1Cl 95962439 XCXAIXKIOHZOAT-VIFPVBQESA-N 304.217 3.520 0 40 DHAB C[C@@H](Oc1ccc(CC(=O)O)cc1)c1nc(-c2ccccc2)no1 96997266 ROVTUPDRPFNOBU-GFCCVEGCSA-N 324.336 3.504 0 40 DHAB [O-][n+]1c2c(n(O)c1[C@@H]1C[C@H]3C=C[C@H]1C3)-c1cccc3cccc-2c13 104481698 KZAPWUFFZFBXGV-DETPVDSQSA-N 316.360 3.839 0 40 DHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCC[C@@H]1C 105330910 XXFFNUBOFHXZRJ-AVGNSLFASA-N 317.458 3.738 0 40 DHAB CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccsc1 105577190 HIKUSLVWRQFMIX-DIECFANBSA-N 320.502 3.683 0 40 DHAB Cc1nccc(CNC(=O)CC2CCC(c3ccccc3)CC2)n1 108160852 WJUIBDHDLMJTHK-UHFFFAOYSA-N 323.440 3.765 0 40 DHAB CSC1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 130077412 RBZPUAQPNVQIKY-VXGBXAGGSA-N 311.413 3.609 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)c2ccccc2Cl)c1 223975584 GMJWIDBNYOAPCK-UHFFFAOYSA-N 303.789 3.766 0 40 DHAB CCCNC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 225449646 NXAGZAQXQXOOHR-UHFFFAOYSA-N 303.450 3.933 0 40 DHAB O=C(Nc1nccs1)c1ccc(Oc2nccs2)cc1 225637091 APKOVGRXETYWBY-UHFFFAOYSA-N 303.368 3.644 0 40 DHAB Nc1nc2c(Cl)cc(NC(=O)c3ccccc3)cc2s1 226309387 YCYZPYSDRZTNLE-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB CC[C@H](C)Nc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 228940823 VZNDHXHUXGNLDR-ZETCQYMHSA-N 313.739 3.757 0 40 DHAB CCc1cccc(CC)c1N(C(=O)c1ccco1)[C@H](C)C(=O)O 255187575 FKQGXXOHZUTZBF-GFCCVEGCSA-N 315.369 3.524 0 40 DHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4F)OCC[C@@]3(C2)[C@@H]1O 257281344 OOTQHCXAJTZHGM-YXLQCVCASA-N 308.368 3.840 0 40 DHAB O=C(O)[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1c1ccccc1 578442235 FPYKRSHZJYVZSP-ZWKOTPCHSA-N 321.376 3.733 0 40 DHAB Nc1nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2n1 107380 YPGFPSHMQWZTKL-UHFFFAOYSA-N 321.771 3.694 0 40 DHAB COc1cc(C(=O)Oc2ccc(C)cc2C)cc(OC)c1OC 362382 XKCHZDVYHVZUAC-UHFFFAOYSA-N 316.353 3.548 0 40 DHAB CC(C)c1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 537320 GUTNLQBCPDTTSC-HXUWFJFHSA-N 323.392 3.920 0 40 DHAB CC[C@H](C)N(CCCOC(=O)c1ccc(N)cc1)[C@@H](C)CC 1610525 QWFIELFCSSOVDP-GJZGRUSLSA-N 306.450 3.715 0 40 DHAB CSc1ccccc1NC(=O)CN(C)Cc1cccc(F)c1 3388523 ROBDRAMYVGCHCR-UHFFFAOYSA-N 318.417 3.618 0 40 DHAB Cc1nn2c(C(C)(C)C)cc(C(=O)O)nc2c1-c1ccccc1 3883104 YXFLGSIULFLCCX-UHFFFAOYSA-N 309.369 3.700 0 40 DHAB CC(=O)Nc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 4025539 LKSCLTKZQIXKIQ-UHFFFAOYSA-N 311.410 3.900 0 40 DHAB O=C(c1cccs1)N1CCN=C1SCc1ccc(F)cc1 4119976 KDZMGIJSSPHFPX-UHFFFAOYSA-N 320.414 3.632 0 40 DHAB O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1cccc(Cl)c1 4385027 KNAIOJRFSJJQER-LLVKDONJSA-N 311.772 3.737 0 40 DHAB C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 4564111 YGGAKHAZLJHTRS-SNVBAGLBSA-N 319.357 3.674 0 40 DHAB COc1cccc2c1CCc1c-2nc2ccccc2c1C(=O)O 4726132 NNLJJCPGABDUGZ-UHFFFAOYSA-N 305.333 3.707 0 40 DHAB biogenic c1ccc(CSc2nnnn2-c2cccc3ccccc23)nc1 4869682 NCICTBGFMGRHNY-UHFFFAOYSA-N 319.393 3.503 0 40 DHAB Cc1cccc(CNC(=O)c2ccc(Br)cc2)c1 6207085 XNZUBWWWZOWCGN-UHFFFAOYSA-N 304.187 3.688 0 40 DHAB COc1ccc(NC(=O)c2ccccc2OC(F)F)c(OC)c1 6288905 TUQYWFZTMAGWMB-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB Cc1ccc2nc(CSc3ccc4c(c3)CCC4)cc(=O)n2c1 6609248 PRIYTUQHADYBMM-UHFFFAOYSA-N 322.433 3.784 0 40 DHAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccccc1 6881002 KXGGSXKFRXUDNZ-CQSZACIVSA-N 316.832 3.649 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 7050598 JFDSDXIOHKKBCH-UHFFFAOYSA-N 301.411 3.593 0 40 DHAB CC(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 7405107 MPGBLLWOTAOIFD-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1 7608855 XRQRIIOFRNBIBW-UHFFFAOYSA-N 304.393 3.711 0 40 DHAB C[C@H](C(=O)Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 8705911 IULCFIYEUULYKI-QGZVFWFLSA-N 322.452 3.968 0 40 DHAB Cc1cc(C(=O)N2CCc3sccc3C2)c2ccccc2n1 12215952 VTLNBBAIIBSDHQ-UHFFFAOYSA-N 308.406 3.803 0 40 DHAB O=C(COc1ccccc1Cc1ccccc1)Nc1cccnc1 12635844 CNOPOYQCJCAUTN-UHFFFAOYSA-N 318.376 3.690 0 40 DHAB CCCCCCc1c(O)nc(SCc2ccccc2)[nH]c1=O 13552951 XKMHGSJQFQDQDH-UHFFFAOYSA-N 318.442 3.891 0 40 DHAB CCc1ccccc1NC(=O)Nc1ccsc1C(=O)OC 15934330 MSJOEFKGKRSNCV-UHFFFAOYSA-N 304.371 3.741 0 40 DHAB Cc1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19287294 GPJVPSKSFOPVDH-FYQPLNBISA-N 307.441 3.847 0 40 DHAB Cc1cccc(C)c1OCCN1C(=O)[C@H](C)CNc2ccccc21 21793521 QPQCTYQVNNJHNN-MRXNPFEDSA-N 324.424 3.777 0 40 DHAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccc(C)nc3)c2C)cc1 22890749 JZJIRKWKBCBVEH-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](c2ccccc2)C2CC2)c1C 24830724 FFUFAGRVZYOOLK-GOSISDBHSA-N 310.397 3.715 0 40 DHAB COc1ccc(OC[C@@H](O)CSc2ccc(Cl)cc2)cc1 28404729 GAFVNCPVTYOKMV-CYBMUJFWSA-N 324.829 3.881 0 40 DHAB CC(C)(C)N(CC(=O)c1cc(O)cc(O)c1)Cc1ccccc1 38647308 KJZOTGCJVSCWKL-UHFFFAOYSA-N 313.397 3.581 0 40 DHAB in-vitro CCOc1ccc(CN(CC)C(=O)[C@@H]2CC=CCC2)cc1OC 39976002 DHSHIJJBFPCBID-MRXNPFEDSA-N 317.429 3.799 0 40 DHAB O=C(Nc1ccccc1Cl)c1ccc(N2CCOC2=O)cc1 40092855 HFQLAQIGBDBESS-UHFFFAOYSA-N 316.744 3.549 0 40 DHAB O[C@@H](CN1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 42132469 SIQVXMWPENGURW-WMZOPIPTSA-N 322.408 3.741 0 40 DHAB COc1ccc(OC)c([C@H](C)NCc2cnn(C(C)(C)C)c2)c1 42949446 NEUSHZBHATUPHZ-ZDUSSCGKSA-N 317.433 3.506 0 40 DHAB Cc1cc2nnc(S[C@H]3CCCc4ccccc43)n2c(C)n1 46876355 RYKLJPSNWLOZSZ-HNNXBMFYSA-N 310.426 3.911 0 40 DHAB CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C1CCCC1 55204567 OKBGWQNMPMZBGG-UHFFFAOYSA-N 303.450 3.920 0 40 DHAB O=C(CCCC1CCCCC1)NCc1n[nH]c(=S)n1C1CC1 65513296 OKEQLYUNRDAMOH-UHFFFAOYSA-N 322.478 3.642 0 40 DHAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccncc1 69569596 NECDPLPMVIBUNO-JTQLQIEISA-N 300.362 3.859 0 40 DHAB CN(CCc1cccc2ccccc12)C(=O)NCc1ccccn1 69776299 UIFBTXISNIFRRL-UHFFFAOYSA-N 319.408 3.619 0 40 DHAB CCc1nc(CN[C@@H]2CCCc3c2cnn3C(C)(C)C)cs1 72274462 HFNPMQLBUBBPKV-CQSZACIVSA-N 318.490 3.824 0 40 DHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2C)cc1 72329194 JSOSYSYHSQEGGE-UHFFFAOYSA-N 319.408 3.878 0 40 DHAB CC(C)(C)CN1CCC[C@@H]1c1cccc(Nc2ncccn2)n1 72375161 AIYSPHKGZCPQLT-OAHLLOKOSA-N 311.433 3.798 0 40 DHAB CC[C@@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccc(Cl)cc1 75093393 UYPXODCAMSFJIG-LSDHHAIUSA-N 307.821 3.724 0 40 DHAB O=C(NCCc1ccccc1)N1CCC(c2ccsc2)CC1 75157174 JJNFVBFERUVFTC-UHFFFAOYSA-N 314.454 3.880 0 40 DHAB COC(=O)c1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)o1 81604373 BNUVLQHYESOOCS-AWEZNQCLSA-N 305.761 3.667 0 40 DHAB COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl 85474488 KCSLENMXZPYWOH-UHFFFAOYSA-N 308.765 3.614 0 40 DHAB OCc1ccc(CN[C@@H](c2ccccc2)c2cccc(F)c2)o1 88766146 YBCPRTVOXLUKRW-IBGZPJMESA-N 311.356 3.790 0 40 DHAB CSc1ccc(CNc2ccccc2CC(=O)N(C)C)cc1 89312012 GRLZCCHPUKFPIJ-UHFFFAOYSA-N 314.454 3.651 0 40 DHAB O=C(CSc1ccccc1)NCc1coc(-c2ccccc2)n1 96423232 YZPCUESBZLXHNO-UHFFFAOYSA-N 324.405 3.750 0 40 DHAB COc1csc(C(=O)N2CCCC[C@@H]2CCOC(C)C)c1 96446305 DXHZQFQDTPICJO-CYBMUJFWSA-N 311.447 3.567 0 40 DHAB COCCOc1ccc(NC(=O)N2CC(C)(C)C2(C)C)cc1F 96447146 DUKJXKWDFCBPGJ-UHFFFAOYSA-N 324.396 3.503 0 40 DHAB CCOC(=O)c1c(Br)nc2ccccc2c1Cl 98178215 XSVGCAMLFRACNO-UHFFFAOYSA-N 314.566 3.827 0 40 DHAB O[C@H]1[C@@H]2[C@@H](C(O)(c3ccccc3)c3ccccc3)C[C@@H]3[C@H]2CC[C@@H]13 102977522 XWSHAONUVZUKOY-COXXTLHVSA-N 320.432 3.576 0 40 DHAB O=S(=O)(c1ccccc1)[C@H]1C[C@@H]2C[C@@H]1C1=C2[C@@H]2CC[C@@H]1C2 104292471 KESSVIVBPRHJMV-KLUNEYRZSA-N 300.423 3.595 0 40 DHAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Br)cc1 118311815 ATYDSIJHMSGNKM-VXGBXAGGSA-N 312.207 3.830 0 40 DHAB CCc1nn(Cc2ccccc2)c(N)c1-c1ccc(OC)cc1 199750740 SMGIGCZYIUVWEB-UHFFFAOYSA-N 307.397 3.752 0 40 DHAB COCCCNCc1cc(C)n(Cc2ccc(Cl)cc2)c1C 223664871 SNKTZEHOSSXGJS-UHFFFAOYSA-N 320.864 3.933 0 40 DHAB Cc1ccc(OCCNC(=O)/C=C/c2ccccc2)cc1Cl 224116551 WUQBYLDUCKSKAZ-CSKARUKUSA-N 315.800 3.857 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1C 225628149 ZBZUAMVZRWJRFN-UHFFFAOYSA-N 323.392 3.913 0 40 DHAB Cc1csc(NC(=O)c2ccc(Oc3nccs3)cc2)n1 225635925 FFOGTNWICQXAML-UHFFFAOYSA-N 317.395 3.953 0 40 DHAB CCO[C@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@H](C)C1 225716912 AVGIGBUIXPXZQO-SCLBCKFNSA-N 305.418 3.928 0 40 DHAB Cc1cc(C)cc(NC(=O)c2cc3cccc(C)c3oc2=O)c1 226034476 PXBVMZREABPDLH-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2)cc1N 226265784 ILADQOLMUNLRJA-CQSZACIVSA-N 309.413 3.900 0 40 DHAB Cc1ccc(COc2c(Cl)cc(C(N)=O)cc2Cl)cc1 226322039 WYXKVHJOLAVBBK-UHFFFAOYSA-N 310.180 3.980 0 40 DHAB O=C(O)/C=C/c1ccc(Cl)c(NC(=O)C2CCCCC2)c1 226357107 UWLVIMJEMIMPGL-VQHVLOKHSA-N 307.777 3.957 0 40 DHAB CCCCCN1C(=O)S/C(=C\c2ccccc2OC)C1=O 409200288 HNEWYKQLRBLTIF-KAMYIIQDSA-N 305.399 3.922 0 40 DHAB CN(C)CC/C=C1/c2ccccc2COc2ccc(C=O)cc21 504160243 YTFTZHOBRFUJSG-LSCVHKIXSA-N 307.393 3.775 0 40 DHAB in-vitro Cc1ccccc1NC(=O)NCC[C@H](CCO)c1cccs1 575608697 VYMPDCAXNZNCTG-CQSZACIVSA-N 318.442 3.734 0 40 DHAB Cc1cccc(CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)c1C 585117392 ZZMMIMMOMVDICA-SFHVURJKSA-N 306.413 3.643 0 40 DHAB FC1(F)[C@@H]2CCCO[C@]21c1noc(-c2ccccc2Cl)n1 585120531 UBSHOIGGPREJQP-MFKMUULPSA-N 312.703 3.661 0 40 DHAB O=C(NCc1cccc2ccccc12)N[C@H]1CCC12CCOCC2 585406689 CYJRDCSVLXQTRY-SFHVURJKSA-N 324.424 3.598 0 40 DHAB O=C1C[C@H](c2ccc3c(c2)OCCCO3)Oc2ccc(F)cc21 64412 CJUMOVMNDPOMAY-QGZVFWFLSA-N 314.312 3.694 0 40 DHAB COc1cc2nc(-c3ccc(Cl)cc3)oc(=O)c2cc1OC 114618 HOXCSXLCPAKLCH-UHFFFAOYSA-N 317.728 3.526 0 40 DHAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(F)c1 176597 YCHYPTHYQJUPKD-RIYZIHGNSA-N 301.704 3.824 0 40 DHAB CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C 198240 AHTZIFIBNCSFEG-UHFFFAOYSA-N 301.386 3.798 0 40 DHAB CCOC(=O)c1sc(=S)n(-c2ccccc2Cl)c1N 425196 ZLEDQZGZTOASLD-UHFFFAOYSA-N 314.819 3.681 0 40 DHAB CCOC(=O)[C@@H](Cc1ccc(C)cc1)c1nc2ccccc2[nH]1 528627 IVOOWSZICKTYOE-HNNXBMFYSA-N 308.381 3.761 0 40 DHAB COc1ccccc1-c1nnc2sc(C3CCCCC3)nn12 533095 JAXNSXQMGQUTTG-UHFFFAOYSA-N 314.414 3.909 0 40 DHAB O=C(NCCc1ccccc1)Nc1cc(Cl)nc(Cl)c1 2581893 SZHVZCICXYSISQ-UHFFFAOYSA-N 310.184 3.753 0 40 DHAB Cc1ccc(-c2nc(-c3ccccn3)sc2CC(=O)O)cc1 2654628 WFBZZYNOMFNULR-UHFFFAOYSA-N 310.378 3.808 0 40 DHAB Cc1cccc(N2CCN(c3ncnc4sccc34)CC2)c1C 3327690 RXTCAXMFFRTSFT-UHFFFAOYSA-N 324.453 3.635 0 40 DHAB O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 3434769 QPXDCSBPVLLSLU-CMDGGOBGSA-N 310.378 3.758 0 40 DHAB in-vitro Cc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc21 3538049 NGCCBJBKSXMUDQ-UHFFFAOYSA-N 300.789 3.650 0 40 DHAB N=c1nc2n(c3ccccc13)Cc1ccccc1C21CCCC1 4158616 VIZBHWRTVPGLNO-UHFFFAOYSA-N 301.393 3.738 0 40 DHAB Cc1ccc(C)c(NC(=O)[C@H](CC(=O)O)Cc2ccccc2)c1 4425739 LJSSAUPUMWBCOY-INIZCTEOSA-N 311.381 3.576 0 40 DHAB COc1ccccc1C[C@@H](CC(=O)O)[C@H]1CCOC(C)(C)C1 4904131 QJIWYGNJXDMZRQ-GJZGRUSLSA-N 306.402 3.534 0 40 DHAB Cn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ccccc21 5932678 LQLVGOWOCVCVEU-UHFFFAOYSA-N 308.425 3.877 0 40 DHAB CN(CC(=O)Nc1cccc(F)c1)[C@H]1CCCc2ccccc21 8126912 NTZIHQKVYFVHCK-SFHVURJKSA-N 312.388 3.774 0 40 DHAB CCCCNc1nc(-c2ccc(CNC(C)=O)cc2)cs1 8209091 OYNWGTHTDQIRMW-UHFFFAOYSA-N 303.431 3.658 0 40 DHAB Cc1cccc(OCC(=O)NCCSc2ccccc2)c1C 8361121 FPGQVIUNIUQPDQ-UHFFFAOYSA-N 315.438 3.591 0 40 DHAB COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 9364424 FQAMIKOTYORXLP-UHFFFAOYSA-N 307.708 3.518 0 40 DHAB CC(C)Cc1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 9513366 ADLUQEJNVHHCIR-SFHVURJKSA-N 324.432 3.527 0 40 DHAB Cc1cccc2cc3c(nc12)OCC(=O)N(Cc1cccs1)C3 12113089 RTVXUNHCVAJRAN-UHFFFAOYSA-N 324.405 3.526 0 40 DHAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1Cc2ccccc2S1 12255774 AISAURATHZPAOX-AWEZNQCLSA-N 316.451 3.677 0 40 DHAB CC(C)n1ncc2cc(C(=O)OCc3ccccc3F)cnc21 12858211 YBOFHSDWLHOMPS-UHFFFAOYSA-N 313.332 3.508 0 40 DHAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 13012668 GJWVNCAEGZOABK-CHWSQXEVSA-N 301.386 3.590 0 40 DHAB O=C1CC[C@@H]2c3[nH]c4ccccc4c3[C@H](c3ccccc3)CN12 14083585 LPTQRJZQGNFWNT-DOTOQJQBSA-N 302.377 3.977 0 40 DHAB C[C@H](Oc1ccc(F)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 16022429 FESYATFUEUDPFU-UHSVVUDUSA-N 317.404 3.678 0 40 DHAB CCN(C(=O)c1cc(C)nc2onc(C)c12)C1CCCCC1 25251238 PZGUVRNCZYSTTF-UHFFFAOYSA-N 301.390 3.634 0 40 DHAB CCN(CC)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 27475046 VMVKTOAHSQPVTE-GOSISDBHSA-N 323.392 3.623 0 40 DHAB CCn1cc(Cl)c(C(=O)Nc2nc3ccc(C)cc3s2)n1 32611571 VTFJIVKNYINXQU-UHFFFAOYSA-N 320.805 3.727 0 40 DHAB O=C(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 36940347 WXNAZOVMJSPUQH-UHFFFAOYSA-N 309.148 3.996 0 40 DHAB CC(C)(C)c1cc2nnc(-c3ccccc3F)n2nc1Cl 38304528 KXRSWXZVHQRQTP-UHFFFAOYSA-N 304.756 3.881 0 40 DHAB C[C@H](Sc1ccccc1)C(=O)NCCSC1CCCC1 46450815 IQNZBSLVKIEEHA-ZDUSSCGKSA-N 309.500 3.959 0 40 DHAB OC1CCC(NCc2ccc(-c3ccc(F)cc3)s2)CC1 48326068 BVCHZSCQJSPRPV-UHFFFAOYSA-N 305.418 3.947 0 40 DHAB CCc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 53197817 MKVYTRQCBWFWPY-UHFFFAOYSA-N 308.425 3.520 0 40 DHAB CSc1ccc(Cl)c(C(=O)N[C@H](C)c2cnn(C)c2C)c1 58244982 XKRIJMSMHDJOHU-SECBINFHSA-N 323.849 3.595 0 40 DHAB CC(C)CN1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 58434760 ZGMUNSPTLZOPPH-UHFFFAOYSA-N 309.841 3.536 0 40 DHAB O[C@H](CNc1nc2ccccc2o1)c1ccccc1C(F)(F)F 68998392 OSBFSJQBGKZLIJ-CYBMUJFWSA-N 322.286 3.992 0 40 DHAB O=C(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)c1ccco1 71195732 WDENAQXBPWOZML-MRXNPFEDSA-N 319.364 3.544 0 40 DHAB Cc1cc(C)cc(-n2cc(C(=O)NCCC3=CCCCC3)nn2)c1 71764995 GXSBVYNKGKRNKB-UHFFFAOYSA-N 324.428 3.504 0 40 DHAB C[C@H]1CCN(C(=O)Cc2ccon2)c2cc(Cl)ccc2S1 74806145 RRWSOULQEUJTCY-JTQLQIEISA-N 322.817 3.788 0 40 DHAB CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(COC)c2)C1 76067680 CLASNBSSHOXEGP-JKSUJKDBSA-N 307.459 3.579 0 40 DHAB C[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1nccs1 86394522 HTPDDXRUAUKENO-GHMZBOCLSA-N 305.403 3.732 0 40 DHAB CCOc1cc(Cl)ccc1NC(=O)N(C)Cc1cccnc1 89990945 SPZLKOOBPRKYEH-UHFFFAOYSA-N 319.792 3.798 0 40 DHAB CCN(C(C)=O)[C@H]1CCSc2ccc(Br)cc21 95349792 OMHBKGNJVUMPJI-LBPRGKRZSA-N 314.248 3.854 0 40 DHAB COCCCSc1ccc(NCc2c(C)nn(C)c2C)cc1 95429110 GRRVPZWSKQWGMY-UHFFFAOYSA-N 319.474 3.778 0 40 DHAB CC(C)C[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)OC(C)(C)C 95435788 RANNXHFAGWMCJJ-AWEZNQCLSA-N 324.396 3.704 0 40 DHAB CSc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccn1 95452239 CROYRJXMQAMTBO-UONOGXRCSA-N 302.374 3.685 0 40 DHAB C[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1 95456676 MUSMOYSHQJVZMS-AWEZNQCLSA-N 314.816 3.691 0 40 DHAB CCN(CC)C(=O)COc1ccc(Cl)cc1C(F)(F)F 95464689 XCXRHYCSCGFBJY-UHFFFAOYSA-N 309.715 3.606 0 40 DHAB COc1cccc2cc([C@@H](C)NC[C@@H](O)c3ccsc3)oc12 95987938 ZQAYESOMJXWIAK-BXUZGUMPSA-N 317.410 3.887 0 40 DHAB O=C(c1ncoc1[C@@H]1CCCO1)N1CCC2(CCCCC2)CC1 96406285 XLILIRPVYWLMLU-AWEZNQCLSA-N 318.417 3.713 0 40 DHAB CC[C@](C)(NC(=O)CCCc1ccccn1)c1nc(C)cs1 96423351 SGYHXXTYOUMBKW-KRWDZBQOSA-N 317.458 3.611 0 40 DHAB C[C@H](Nc1ccc(Nc2nccn(C)c2=O)cc1)c1ccccc1 96429363 OFAXPLORRCBEQE-AWEZNQCLSA-N 320.396 3.697 0 40 DHAB CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)CC(C)(C)OC)c1 96434535 VRIWYGPSPNBPGB-STQMWFEESA-N 308.422 3.719 0 40 DHAB CCc1nn2c(O)cc(-c3cccnc3)nc2c1-c1ccccc1 100219753 QGKNDSLSXNFKNA-UHFFFAOYSA-N 316.364 3.726 0 40 DHAB COc1ccccc1S(=O)(=O)/C=C/c1ccccc1Cl 103248111 KVDYSDOWSIXKPB-ZHACJKMWSA-N 308.786 3.793 0 40 DHAB CC[C@@H](C(=O)NC[C@@H](OC)c1cccc(F)c1)c1ccccc1 208000377 ORBOWHDLKYDHEZ-QZTJIDSGSA-N 315.388 3.823 0 40 DHAB CCOC(=O)/C=C/c1cccc(OCc2ccc(F)cc2)c1 216894732 DAVFCCKFDIRMAK-DHZHZOJOSA-N 300.329 3.981 0 40 DHAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(F)cc2)cc1 223020681 HDIIQDORNSATGL-CYBMUJFWSA-N 301.361 3.644 0 40 DHAB Cc1ccc(C)c(OCCNC(=S)Nc2ccccc2)c1 223977276 JDZXMYNSAPWTIM-UHFFFAOYSA-N 300.427 3.669 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cn1 225905463 OGZQURRSRWPRKQ-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB Cc1cc(CC[C@H]2CCCN2C(=O)c2ccsc2)ccn1 257230746 GDSDPUJTBGQURK-MRXNPFEDSA-N 300.427 3.689 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)C2CCCC2)C1 1888860496 ORDNZPACQIGQQV-UHFFFAOYSA-N 311.429 3.733 0 40 DHAB CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)C1CCCCC1 39009 UJPSJKJMLVESNM-PKNBQFBNSA-N 301.386 3.610 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)c(C)c1 130749 QZYMLEBGYOKEGN-UHFFFAOYSA-N 311.381 3.716 0 40 DHAB COc1ccc(/C=C/C(=O)Oc2c(C)cccc2C)c(OC)c1 147503 HSDGTZVLMUBBNS-PKNBQFBNSA-N 312.365 3.939 0 40 DHAB Cc1cc(C)n([C@@H]2CCCC[C@@H]2OC(=O)c2ccccc2F)n1 554843 AUHRYULJCBPMPG-SJORKVTESA-N 316.376 3.980 0 40 DHAB C[C@@H](Sc1nnc(N)s1)C(=O)c1ccc(C(C)(C)C)cc1 2623205 XFPGNKIHPOBLFA-SECBINFHSA-N 321.471 3.781 0 40 DHAB COc1ccc(-c2nnsc2-c2nc3ccccc3[nH]2)cc1 2700215 ARALYUIAXVEVHV-UHFFFAOYSA-N 308.366 3.757 0 40 DHAB COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1Cl 4089659 PRBJTGGFLXTCNF-GXDHUFHOSA-N 313.740 3.693 0 40 DHAB Clc1cc(Cl)cc(NCc2nnc3n2CCCCC3)c1 4518102 DIQJJTZVAJTWNE-UHFFFAOYSA-N 311.216 3.923 0 40 DHAB C=CSc1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 5032474 WKPWXSWPTPZRNW-HNNXBMFYSA-N 313.378 3.701 0 40 DHAB O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccncc1 5256483 VWJUGTNQCQPQBW-INIZCTEOSA-N 324.409 3.582 0 40 DHAB CCSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3 6549337 DTXODUYEFGIUMT-VIFPVBQESA-N 308.472 3.715 0 40 DHAB COc1ccccc1NC(=O)COc1cccc2ccc(C)nc12 6865781 YVSQDHRUQQGOHH-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c[nH]nc12 8615310 WOAIFOIONHSFPQ-WSVRAQSBSA-N 314.473 3.827 0 40 DHAB O=C(c1ccccc1F)N1CCC(c2nc3ccccc3o2)CC1 11914902 REDVNBCQUKWKBM-UHFFFAOYSA-N 324.355 3.987 0 40 DHAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CCCCCC1 12187283 FCRVWXJWDUFLIG-UHFFFAOYSA-N 321.371 3.767 0 40 DHAB O=C(CN1CCSc2ccccc21)Nc1cccc(Cl)c1 13062862 WLJSMGRKASPDDR-UHFFFAOYSA-N 318.829 3.891 0 40 DHAB CCCCn1c(N)c(C(=O)NCc2ccccc2)sc1=S 13547255 TXOJFOQAPCJFKR-UHFFFAOYSA-N 321.471 3.591 0 40 DHAB CCc1cccc(C)c1NC(=S)NC(=O)c1cccs1 14001453 GRBJICRRXHTSED-UHFFFAOYSA-N 304.440 3.746 0 40 DHAB FC(F)(F)c1nn2c(-c3ccccc3Cl)nnc2s1 15107764 SHUXYTXFJODEJK-UHFFFAOYSA-N 304.684 3.525 0 40 DHAB COc1ccc2cc3c(nc2c1)N(C(=O)c1ccccc1C)CC3 15842113 PSHJPIHNKXWPGJ-UHFFFAOYSA-N 318.376 3.755 0 40 DHAB Cc1ccc([C@H]2C[C@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 15866344 ILSSQILQWIOEHV-QZTJIDSGSA-N 319.412 3.745 0 40 DHAB COc1cc(NC(=O)c2ccc(C)s2)c(OC)cc1Cl 15970577 TZNCRALAHAGNBO-UHFFFAOYSA-N 311.790 3.979 0 40 DHAB Cc1ccc(CC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 16106771 PTIFQALINPFCDV-UHFFFAOYSA-N 308.385 3.502 0 40 DHAB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 16411202 NBONBUYCQMDZBF-DTQAZKPQSA-N 304.349 3.797 0 40 DHAB O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)cc1 18122528 CQASXSIEHUPIOS-UHFFFAOYSA-N 316.769 3.562 0 40 DHAB Cc1cccnc1NC(Nc1ncccc1C)c1cccnc1 18996294 VMCZCANQUJFFSP-UHFFFAOYSA-N 305.385 3.711 0 40 DHAB CCc1ccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 22859918 KMYQSMSZAJOVQP-HBMCJLEFSA-N 310.485 3.579 0 40 DHAB CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 22882750 ILHAGPROTUENFE-VXGBXAGGSA-N 315.335 3.936 0 40 DHAB O=C([C@H]1CC=CCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 25250161 ILYHVRIYTXSMSD-HNNXBMFYSA-N 307.397 3.535 0 40 DHAB C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCCC1 25418799 IAMYJZLYBHNNIY-INIZCTEOSA-N 308.425 3.700 0 40 DHAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3O)cs2)o1 31225027 OOFQYUBEBFSDEB-UHFFFAOYSA-N 300.339 3.669 0 40 DHAB O=C1NC2(CCCCCCC2)C(=O)N1C/C=C/c1ccccc1 39570204 UAYKZQPHSMADFK-FMIVXFBMSA-N 312.413 3.735 0 40 DHAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc(Cl)cc1Cl 40296678 GIOCXHKUYDPSST-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB C[C@@H](Nc1nc2ccccc2o1)c1ccc2c(c1)CCC(=O)N2 40555557 ACGNGRADCVRLOG-LLVKDONJSA-N 307.353 3.886 0 40 DHAB CC[C@H](C)c1noc([C@@H]2CCCCN2C(=O)C2CCCC2)n1 41123389 OZEMYEUYJLZZHN-JSGCOSHPSA-N 305.422 3.827 0 40 DHAB Cc1cc([C@@H]2CCCN2C(=O)Nc2cccc3cccnc23)no1 43529008 ANHZQALRFKTXHY-INIZCTEOSA-N 322.368 3.900 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccc(C)c(F)c2)cc1OC 45384528 JNOCOTXXZFPOCV-LBPRGKRZSA-N 317.360 3.642 0 40 DHAB COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 47710663 LGTMOUFWAAKDJD-LBPRGKRZSA-N 313.357 3.748 0 40 DHAB CCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 48490636 LDWDJIDNYZTABB-UHFFFAOYSA-N 317.216 3.628 0 40 DHAB Cc1[nH]c2ccc(CNC(=O)N[C@H](C)c3ccccn3)cc2c1C 58168916 NRTUDDWBPSXBKE-CQSZACIVSA-N 322.412 3.740 0 40 DHAB O=C(NCc1cc(-c2ccccc2)on1)Nc1ccc(F)cc1 58171211 RHUZETSABKTXQS-UHFFFAOYSA-N 311.316 3.802 0 40 DHAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2CC(C)(C)C)ccc1F 65476043 TXGDBSSXKWZTFN-CQSZACIVSA-N 320.408 3.825 0 40 DHAB CC(C)OCCOCc1cccc(NC(=O)NC2CCCC2)c1 65985445 XOVLDFZZFKQJHC-UHFFFAOYSA-N 320.433 3.692 0 40 DHAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 67898756 TZAODSIYLXLHGF-INIZCTEOSA-N 317.408 3.635 0 40 DHAB biogenic,in-vitro CC(=O)NCc1ccc(-c2csc(-c3ccoc3)n2)s1 69653786 DYSRKBBZQNOAKH-UHFFFAOYSA-N 304.396 3.768 0 40 DHAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCOCC1 69897724 IXRLVWXFVGSOEY-UHFFFAOYSA-N 308.447 3.750 0 40 DHAB COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 72064036 ZONWFFDIDNFTGU-UHFFFAOYSA-N 320.186 3.639 0 40 DHAB COc1ncc([C@H]2CCCCN2C(=O)c2ccccc2)cc1C 72217758 WWDPOLLZNUABCD-QGZVFWFLSA-N 310.397 3.766 0 40 DHAB CCc1nc(C)sc1C(=O)Nc1nc2c(s1)CCCCC2 72402407 KBZBLNMXPNDMCS-UHFFFAOYSA-N 321.471 3.992 0 40 DHAB CCN(Cc1cccc(C)c1)[C@@H]1CCN(c2ccccc2)C1=O 78642982 KIGGPXKUYLTTFL-LJQANCHMSA-N 308.425 3.622 0 40 DHAB COc1cccc(C2(CN[C@H](C)c3nnc(C)o3)CCCC2)c1 79030774 OOQVGQTUHQDHRC-CYBMUJFWSA-N 315.417 3.549 0 40 DHAB C[C@@H](NCc1ccccc1F)c1noc(Cc2ccccc2)n1 80345923 AJFADADWVLTKTQ-CYBMUJFWSA-N 311.360 3.650 0 40 DHAB O=C(OCc1cccnc1)c1cccnc1SC1CCCC1 84425091 UAAHSEZQSFXJCH-UHFFFAOYSA-N 314.410 3.868 0 40 DHAB c1ccc(-c2csc(N3CCC(n4ccnc4)CC3)n2)cc1 89851284 KWTLUCVXDUKPMB-UHFFFAOYSA-N 310.426 3.848 0 40 DHAB COc1ccc2c(ccn2CCNC(=O)c2ccc(C)c(C)c2)c1 94993101 HLVVSXSELPDAMU-UHFFFAOYSA-N 322.408 3.697 0 40 DHAB C[C@@H](OC(=O)C=C1CCCCC1)C(=O)N(C)C1CCCCC1 95377423 PLDZBPBFWXJEOL-CQSZACIVSA-N 307.434 3.600 0 40 DHAB COc1ccc(-c2nnc(CNc3ccc(F)c(C)c3)o2)cc1 95414867 DUFVXSCEKRLPHL-UHFFFAOYSA-N 313.332 3.805 0 40 DHAB CC(=O)c1ccccc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 95427748 JRFVPPSPZCAGHS-KRWDZBQOSA-N 322.408 3.606 0 40 DHAB C[C@H](c1ccccn1)N(C)C(=O)NCCOC1CCCCCC1 96411458 GHWYCZHWLDENEZ-OAHLLOKOSA-N 319.449 3.523 0 40 DHAB CC[C@@H](N[C@@H](C)c1cc(OC)ccc1OC)c1ccncc1 96478335 UEZIAWQSUQRXAG-SUMWQHHRSA-N 300.402 3.901 0 40 DHAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 97372409 LZYILCQQIVOTQQ-BMLIUANNSA-N 315.392 3.537 0 40 DHAB COc1cc(C)c(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 102934342 HHIOFIFJDLNRDD-MCIONIFRSA-N 303.402 3.777 0 40 DHAB CCCOc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 104732419 ZDVGVZFSLHOLOO-IAGOWNOFSA-N 313.397 3.711 0 40 DHAB CC(C)[C@H]1CCCCN1C(=O)Nc1ccccc1C[S@](C)=O 160309132 QBZRFIZUBIDNMF-OPAMFIHVSA-N 322.474 3.608 0 40 DHAB CC1(C)COC(c2ccc(C3OCC(C)(C)CO3)cc2)OC1 196619324 HIQDOZWEMPSHQO-UHFFFAOYSA-N 306.402 3.830 0 40 DHAB O=C(c1cncc(Br)c1)c1ccc(Cl)c(F)c1 199524241 DWANHBNLKWRPRD-UHFFFAOYSA-N 314.541 3.868 0 40 DHAB Cc1cccc(CSCCNC(=S)Nc2ccncc2)c1 225339567 OBIWLBSQVOJHBH-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1ccccc1Cl 225995045 BMLRAUOBAGMHKH-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB CC(C)C[C@H](NC(=O)CC1C[C@@H]2CC[C@H](C1)N2)c1cccs1 236762376 FLRRIKFNTHKBDQ-UYTSQGDYSA-N 320.502 3.872 0 40 DHAB C[C@H]1C[C@](C)(NC(=O)c2ccccc2)[C@@H]2CC[C@@H](C)C[C@H]2O1 257222810 DUTVGLPLJHRMDT-HULLSVINSA-N 301.430 3.789 0 40 DHAB Cc1cn(C)c([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 257251186 JPTKDIXDLAULGG-INIZCTEOSA-N 308.429 3.589 0 40 DHAB COc1ccc([C@@H]2[C@@H](NC[C@H]3CCOC3)[C@H]3CCCC[C@H]32)cc1 257367421 PKRIDGKYLLMKGD-NSYSGPAISA-N 315.457 3.594 0 40 DHAB CCc1ccc(C(=O)[C@H](Br)CBr)cc1 382674873 MDFVKRCFHGSXJR-SNVBAGLBSA-N 320.024 3.590 0 40 DHAB FC(F)C1(c2nc(-c3ccc4nc[nH]c4c3)no2)CCCC1 575835728 ITCOKAZKWBSJNA-UHFFFAOYSA-N 304.300 3.690 0 40 DHAB FC(F)(F)COc1ccccc1NC1CC(n2cccn2)C1 583651955 WRCWGYPDXXYZCJ-UHFFFAOYSA-N 311.307 3.640 0 40 DHAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccco2)S3)cc1 93542 HKBSQOUCLXIDSM-CYBMUJFWSA-N 311.366 3.724 0 40 DHAB Cc1ccc(N2C(=S)N(C)C(=O)/C2=C\c2cccs2)cc1 531081 RXJIVRBWSUBQIJ-GXDHUFHOSA-N 314.435 3.661 0 40 DHAB Cc1c(Br)cc(C(=O)NCc2ccco2)c(C)c1C 551171 HBIYEOOCMHOAON-UHFFFAOYSA-N 322.202 3.897 0 40 DHAB Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)c1 1343043 PVDPSJWZLMLPRD-QGZVFWFLSA-N 323.396 3.630 0 40 DHAB CCCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC 1744664 YYQPSSDSXHTYMJ-FNORWQNLSA-N 318.398 3.592 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(C)c2C)cc1 3415530 FZHBMPAYXIUXQG-HNNXBMFYSA-N 311.381 3.796 0 40 DHAB COc1ccc(CNC(=O)c2cc3ccccc3cc2OC)cc1 3613212 NUEHPWLSZDJDQF-UHFFFAOYSA-N 321.376 3.787 0 40 DHAB C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1 4937221 UKJAJJXEDFGOGV-GFCCVEGCSA-N 323.323 3.802 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(F)c(F)c2)c1 5474505 CPXUUXPXBWGZAG-UHFFFAOYSA-N 305.324 3.908 0 40 DHAB CC[C@@H](c1ccc(OC)cc1)c1cc2c(cc1OC)OCO2 6002065 FHWHXGJTDMCZOZ-AWEZNQCLSA-N 300.354 3.974 0 40 DHAB CC(C)OCCCNC(=O)/C(=C/c1ccco1)c1ccccc1 6328070 GDYZDMZLHKMBKW-NBVRZTHBSA-N 313.397 3.752 0 40 DHAB CC(C)OCCCNC(=O)CSCc1ccccc1Cl 6345036 AVSRZUIALFGMNI-UHFFFAOYSA-N 315.866 3.505 0 40 DHAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccccc1F 6978516 BNNRBVPIIBFSRC-GOSISDBHSA-N 306.340 3.740 0 40 DHAB COc1ccc(Cl)cc1C(=O)NC[C@H](C)c1ccccc1 8168630 GAUIBFPJKMBCNK-LBPRGKRZSA-N 303.789 3.882 0 40 DHAB Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 12556435 FQTYLPGGBQJZJK-UHFFFAOYSA-N 317.392 3.632 0 40 DHAB biogenic CC(=O)Nc1cccc(NC(=S)Nc2ccc(F)cc2F)c1 13497308 VINUZXKUBJHUJA-UHFFFAOYSA-N 321.352 3.732 0 40 DHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1 13669171 VJCPZMYHKDZHBI-OAHLLOKOSA-N 303.427 3.651 0 40 DHAB CC(=O)Nc1cccc(Oc2ccc(Br)cc2N)c1 14630984 MRLOUTCDDQBXDF-UHFFFAOYSA-N 321.174 3.782 0 40 DHAB in-vitro O=C(NCCC1=CCCCC1)c1ccc(NC(=O)C2CC2)cc1 17334925 XABRUAQOHXHRLW-UHFFFAOYSA-N 312.413 3.655 0 40 DHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(N)cc1Cl 20013945 AQXXLAYKBPVNSA-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB COc1ccc(NC(=O)CCC(C)C)cc1-c1ccc(CO)o1 20136787 UCOGVNZFIRYARU-UHFFFAOYSA-N 317.385 3.822 0 40 DHAB Cc1ccc(CSCC(=O)N2CCc3ccccc3C2)cc1 20237714 RPVSGCHELJTDLC-UHFFFAOYSA-N 311.450 3.813 0 40 DHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(F)cc1 20482977 VQHXEAQDOBAXAQ-SFHVURJKSA-N 315.388 3.916 0 40 DHAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)[C@@H](C)C1CC1 24837961 SEJUPMRUBUFKKL-LBPRGKRZSA-N 300.427 3.989 0 40 DHAB CC(=O)c1c(Nc2cccc(C(F)(F)F)c2)oc(C)cc1=O 27525914 KFYNWIBYWDRCGG-UHFFFAOYSA-N 311.259 3.913 0 40 DHAB C[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1 28927010 QDRCCHYFTZHFBY-CQSZACIVSA-N 305.381 3.610 0 40 DHAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Cl)nc1 29607559 CVJPXOHVWIVGLW-NXEZZACHSA-N 306.715 3.586 0 40 DHAB CCOCCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 29754022 ZLGBLSIFTGQVKC-UHFFFAOYSA-N 302.418 3.622 0 40 DHAB COC(=O)Nc1nc(SCc2ccccc2Cl)ns1 30955000 GDPJCLSVQRWTGF-UHFFFAOYSA-N 315.807 3.662 0 40 DHAB C[C@@H](C(=O)c1ccccc1)[C@H](c1ccccc1)N1CCOCC1 31719434 RUSXYSPNUUXXDR-VQIMIIECSA-N 309.409 3.579 0 40 DHAB in-vitro Cc1ccc(NC(=O)CC[C@H]2CCCO2)c(Br)c1 31874583 LTQUURLIFLMURY-LLVKDONJSA-N 312.207 3.655 0 40 DHAB Cc1nccc(-c2cccc(NC(=O)c3ccnc(Cl)c3)c2)n1 33125393 AWARCOJDGRJQJI-UHFFFAOYSA-N 324.771 3.753 0 40 DHAB O=C1/C(=C\c2ccc3cc[nH]c3c2)N=C(S)N1c1ccccc1 34927083 INDRZRVWMSLSFU-LFIBNONCSA-N 319.389 3.841 0 40 DHAB CCCCC(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 36352983 MZFMTHCAJPWNSI-UHFFFAOYSA-N 311.341 3.724 0 40 DHAB COC(=O)C[C@]1(C/C=C(\C)CCC=C(C)C)CC(=O)CCC1=O 36375445 WGJMLCQUIUJDCK-XATQLNLPSA-N 320.429 3.941 0 40 DHAB biogenic,in-vitro Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 40069996 SOCQHZVPVRJVCI-OUJBWJOFSA-N 314.351 3.963 0 40 DHAB O=C(Oc1ccc(Cl)c2ccccc12)c1cnn2cccnc12 43508409 UVWCCEQTQQCBRG-UHFFFAOYSA-N 323.739 3.755 0 40 DHAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@H](c2ccccc2)C1 44225390 FICXPEZVUPSCTG-AWEZNQCLSA-N 321.829 3.518 0 40 DHAB O=C(NC(C1CC1)C1CC1)N1CCCCC[C@@H]1c1ccncc1 45438269 ORQYZEVPNMCXAT-QGZVFWFLSA-N 313.445 3.897 0 40 DHAB CCC(CC)(CO)NC(=O)Nc1ccc(Cl)c(Cl)c1 53072143 NBFYEADHUNQXPR-UHFFFAOYSA-N 305.205 3.666 0 40 DHAB C[C@@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@@H]1CCc2ccccc21 56769566 HOKZPJKYUZCRIA-IFXJQAMLSA-N 324.424 3.652 0 40 DHAB CC(C)(C)NC(=O)CSCc1ccccc1Br 58165025 FEDIEIALLUQANH-UHFFFAOYSA-N 316.264 3.597 0 40 DHAB Cn1c(=O)oc2cc(-c3csc(-c4ccccc4)n3)ccc21 58197059 OCSFCCKAPDWTMQ-UHFFFAOYSA-N 308.362 3.922 0 40 DHAB CCCN1CCC(N(C)C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 60404412 BDSXXBHKLXTUBO-DLBZAZTESA-N 306.494 3.558 0 40 DHAB COc1ccc2c(CC(=O)N3CCC[C@H](C)CC3)coc2c1 65474296 ZISAPXRKBYGYST-ZDUSSCGKSA-N 301.386 3.633 0 40 DHAB Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CCc2ccccc21 65621166 AYGWSVFGNUEPSW-HNNXBMFYSA-N 322.364 3.589 0 40 DHAB CCOc1ccc(NC(=O)CCCc2ccccn2)cc1F 69417672 KCWBZGJOIHSUMO-UHFFFAOYSA-N 302.349 3.581 0 40 DHAB Cc1ccc2cc3c(nc2c1C)OC(=O)N(Cc1ccco1)C3 72396342 GLWUWNVVEKIEHA-UHFFFAOYSA-N 308.337 3.959 0 40 DHAB O=C(COC1CCCCC1)Nc1c(F)cccc1NC1CC1 89768176 LVVLLYNSYCWKDK-UHFFFAOYSA-N 306.381 3.688 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CNc3ccccc32)C1 91303108 UVKWHITVTJOVCV-UKRRQHHQSA-N 302.418 3.843 0 40 DHAB in-vitro COc1ccsc1CN1CCSC[C@@H]1c1ccc(C)o1 93818959 BNYDPDSBACMTTF-GFCCVEGCSA-N 309.456 3.948 0 40 DHAB O=C(O)CO[C@@H](c1cccc(Cl)c1Cl)C(F)(F)F 95096393 HDOQYFIEICJIPU-VIFPVBQESA-N 303.063 3.698 0 40 DHAB CSc1ccsc1C(=O)Nc1ccc(CCC(=O)O)cc1 95425528 PRCYSPFAHJIPEV-UHFFFAOYSA-N 321.423 3.740 0 40 DHAB c1cc(NCc2cccc3cccnc23)cc(-c2nc[nH]n2)c1 95431142 GZNBNVPOPPXMCB-UHFFFAOYSA-N 301.353 3.632 0 40 DHAB O=C(Cc1ccc(OC(F)(F)F)c(Cl)c1)C(F)(F)F 95634679 YLXSIJRYFRXOIG-UHFFFAOYSA-N 306.589 3.913 0 40 DHAB O=C(NC[C@@H]1CCCO1)c1ccc(Oc2ccccc2Cl)o1 96183862 CYBHRVFGRVSSRP-NSHDSACASA-N 321.760 3.634 0 40 DHAB CN(C[C@@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2)C1CCCCC1 100832273 NYKSCGZFZQRKJK-DLVXIWMQSA-N 323.521 3.843 0 40 DHAB Cc1[nH]c(=S)sc1CC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 106523008 FPCIRPXWYFEDKA-NUGNTBJXSA-N 310.488 3.598 0 40 DHAB CC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257204582 AVHPWHNSLSOEDS-RRARJMIVSA-N 319.420 3.987 0 40 DHAB CO[C@@H]1CC[C@H]2N(C(=O)c3cnc4ccccc4c3)CC[C@@]2(C)C1 257338222 YWMJSVIFDCSGBS-POAQFYNOSA-N 324.424 3.655 0 40 DHAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccnc(C(F)(F)F)c1 330033227 XUHUSXGRWPJJND-ZDUSSCGKSA-N 324.350 3.792 0 40 DHAB CC(C)n1cc(NC(=O)Nc2ccc3c(c2)OCC3(C)C)cn1 529150404 NVIZLCNRQVEPLA-UHFFFAOYSA-N 314.389 3.778 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(Br)c(C)c1 575362232 OZQWLSFGLGBOMH-UHFFFAOYSA-N 313.191 3.674 0 40 DHAB O=c1oc(Nc2ccc(C(F)(F)F)cc2)nc2ccccc12 69369 PALJIWYZTFQCRC-UHFFFAOYSA-N 306.243 3.950 0 40 DHAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CC[C@@H](C)C3)o1 90060 MINMSVKRWFZVNI-MRVPVSSYSA-N 319.382 3.725 0 40 DHAB COc1ccc(C2=C[C@H](c3ccccc3)n3nc(C)nc3N2)cc1 407757 ZFTFOWYACIKQOW-GOSISDBHSA-N 318.380 3.651 0 40 DHAB CC(=O)O[C@H]1c2ccc(cc2)CCc2ccc(cc2)[C@@H]1OC(C)=O 409599 AIRPCEQRTRZRJP-PMACEKPBSA-N 324.376 3.694 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)CCC(=O)O)cc2)cc1C 482421 LIEBYCUZFRPLSV-UHFFFAOYSA-N 313.353 3.899 0 40 DHAB OC(Cc1ccccc1)(Cc1ccccc1)[C@@H]1CN2CCC1CC2 1258253 KUXOALQEVYJOAF-OAQYLSRUSA-N 321.464 3.545 0 40 DHAB Cc1nc2cc(-c3ccc(F)cc3)nn2c(N2CCCC2)c1C 1332053 XOEMIYCJFSVODI-UHFFFAOYSA-N 310.376 3.752 0 40 DHAB COc1ccc(OCCCC(=O)Nc2nc(C)c(C)s2)cc1 1903922 DLFZZAMBSSWJBA-UHFFFAOYSA-N 320.414 3.566 0 40 DHAB COc1ccc(CC(=O)OCc2nc3ccccc3s2)cc1 3283624 PAOXDGRIRSQPBT-UHFFFAOYSA-N 313.378 3.591 0 40 DHAB CCCSc1nnc(NC(=O)c2ccc(Cl)cc2)s1 4086598 MNYZFRRXGWMLRZ-UHFFFAOYSA-N 313.835 3.946 0 40 DHAB Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(C)c(C)c3)[nH]n2)c1 5462680 QVHGIOVTJBGXJG-UHFFFAOYSA-N 321.380 3.960 0 40 DHAB O=C(Nc1ccccc1N1CCCCC1)c1cn2ccccc2n1 6651158 CGUCEVWERVERLE-UHFFFAOYSA-N 320.396 3.577 0 40 DHAB CCOc1ccc(N[C@@H](C)C(=O)NCC2CCCCC2)cc1 6831306 DFDPVBMGQHWIGA-AWEZNQCLSA-N 304.434 3.582 0 40 DHAB COc1ccc2c(-c3ccccc3)cc(SCCO)nc2c1 6979560 LXUOGNAEHCFKMW-UHFFFAOYSA-N 311.406 3.995 0 40 DHAB COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 7917348 KSUXFBLURONRBH-UHFFFAOYSA-N 321.380 3.750 0 40 DHAB C[C@H](NC(=O)COc1c(Cl)cccc1Cl)c1ccco1 8132770 PCTOGNWTDZKLCZ-VIFPVBQESA-N 314.168 3.843 0 40 DHAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 8267455 SFYHWWMAXXXXOJ-ZDUSSCGKSA-N 323.392 3.785 0 40 DHAB C[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1nc2ccccc2[nH]1 9467625 ITTHKZHBMWXSBG-KGLIPLIRSA-N 307.397 3.934 0 40 DHAB O=C(/C=C/c1ccccc1F)N1CCc2[nH]c3ccccc3c2C1 9901230 QUFYHMWKPQISCT-MDZDMXLPSA-N 320.367 3.905 0 40 DHAB O=C(O)c1cc(-c2cccnc2)nc2onc(-c3ccccc3)c12 12396317 CLUSOXSMRGKUGZ-UHFFFAOYSA-N 317.304 3.650 0 40 DHAB CSc1ccc(Cl)c(C(=O)Nn2cnc3ccccc32)c1 12785974 MVJZMMBOKUTJSK-UHFFFAOYSA-N 317.801 3.796 0 40 DHAB COC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 12852879 LHAHOOLFWNZPJN-UXBLZVDNSA-N 316.328 3.600 0 40 DHAB C[C@@H]1CCC[C@@H](NS(=O)(=O)C2=Cc3ccccc3CC2)[C@@H]1C 12901026 NIVFFJPVZVBVHH-HBUWYVDXSA-N 319.470 3.718 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1F 13012414 WUBVSWBABMXKLA-SNVBAGLBSA-N 309.287 3.818 0 40 DHAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2F)c(C)c1 16353714 SJGAQAQUOFQQAO-OAHLLOKOSA-N 314.404 3.902 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C 17340679 JAFDIFDYSOOKGY-UHFFFAOYSA-N 307.397 3.854 0 40 DHAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 20450784 YBOSKBAYSIIXQR-HUUCEWRRSA-N 313.397 3.648 0 40 DHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1c(F)cccc1F 20492388 SWTFCSXJZCMEIJ-NSHDSACASA-N 305.324 3.933 0 40 DHAB C[C@H](NC(=O)Cc1cccs1)c1cccc(Br)c1 22250559 DSYWHLIAZVYXDJ-JTQLQIEISA-N 324.243 3.931 0 40 DHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2OC)cc1 22367554 SWHWJKHLRKABBH-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1 23434420 VJIRMMGNLXYFOP-UHFFFAOYSA-N 312.703 3.897 0 40 DHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc2ncccc12 25948562 WQLSTPDUZKVXEI-CQSZACIVSA-N 317.392 3.625 0 40 DHAB CCc1ccc(NC(=O)CC(=O)Nc2ccc(CC)cc2)cc1 26330390 LIIFXKMPXHAQGM-UHFFFAOYSA-N 310.397 3.779 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCCCCC1 27975932 SPQWZKJSSKYIGA-GOSISDBHSA-N 301.430 3.735 0 40 DHAB Cc1cccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)n1 29192928 MQYLDBLAFFMUST-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB Cc1noc(C)c1CN1CCC[C@H](c2nc3ccccc3o2)C1 29825171 JSVOPBFKMDIVSQ-AWEZNQCLSA-N 311.385 3.812 0 40 DHAB CC(C)CCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 30752829 ABSYBECBACGWIL-INIZCTEOSA-N 302.462 3.694 0 40 DHAB CCC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 35280987 CZVFPPWJMAUHNM-LBPRGKRZSA-N 319.792 3.506 0 40 DHAB C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CC/C(=C\CO)CO 35455464 NNDLUXBYTPAACV-XBQTXLDVSA-N 324.505 3.671 0 40 DHAB biogenic,in-vitro Cc1cc([C@H]2CCCN2C(=O)Nc2cccc3cnccc23)no1 43161214 UYAMNEDZZDVYJR-QGZVFWFLSA-N 322.368 3.900 0 40 DHAB O=C(c1ccccc1CN1CCSCC1)C1CCCCC1 43211778 FSNZMOXMVWQFIM-UHFFFAOYSA-N 303.471 3.998 0 40 DHAB Cc1cccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)c1 45145492 LUTBXJOTGXXEPU-ZDUSSCGKSA-N 303.789 3.732 0 40 DHAB Cc1cccnc1NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 46613805 PJSVQCOTOJOCDB-LLVKDONJSA-N 321.327 3.874 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccccn1 55181339 CCTAKCPZRSIUCS-OCHBPSSRSA-N 300.789 3.968 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccn(Cc3ccccn3)n2)C1(C)C 58418173 MIVOLHLQUXJTEM-RDJZCZTQSA-N 324.428 3.503 0 40 DHAB O=C(Nc1cccc2cccnc12)[C@H]1CCOc2ccccc21 62638301 AESYFFSUKZDRGO-HNNXBMFYSA-N 304.349 3.740 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1Cc1ccc(F)cc1F 65184384 UKVQJRRWHUNINV-UHFFFAOYSA-N 323.726 3.539 0 40 DHAB Cn1cccc1[C@H]1CCCN1C(=O)Nc1cccc2cnccc12 65549787 AOAHIBMUEGFNIN-GOSISDBHSA-N 320.396 3.942 0 40 DHAB Fc1cc(Br)cc2cc(Br)cnc12 68575453 IUVCBIMGTGFGFN-UHFFFAOYSA-N 304.944 3.899 0 40 DHAB in-vitro Cc1ccc(F)c(NC(=O)CSCC(=O)c2ccccc2)c1 69324404 CGKWEKKQYZBHJX-UHFFFAOYSA-N 317.385 3.689 0 40 DHAB O=C(Cc1cccs1)NCc1ccc(Oc2ccccc2)nc1 69568266 ZFZMXMBTEIJAPV-UHFFFAOYSA-N 324.405 3.794 0 40 DHAB Cc1nc(C[S@](=O)Cc2ccccc2C(F)(F)F)cs1 69772673 HFGDNVVLWRUBKP-FQEVSTJZSA-N 319.373 3.919 0 40 DHAB c1ccc([C@@H]2CCN(Cc3csc(-c4ncccn4)n3)C2)cc1 69894795 DXSXYUOEBGQCOP-OAHLLOKOSA-N 322.437 3.590 0 40 DHAB Cc1noc(C)c1CCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 70007858 UQPFVCSIAWUFJJ-LJQANCHMSA-N 324.424 3.903 0 40 DHAB Cc1cccc(C2(C(=O)N(C)Cc3nc4ccccc4[nH]3)CC2)c1 71828385 AZKTZLOGAOXLFH-UHFFFAOYSA-N 319.408 3.562 0 40 DHAB Cc1c(C(=O)N2CCC(N(C)C)CC2)oc2c(Cl)cccc12 71846616 YHHBDYVUJUYERE-UHFFFAOYSA-N 320.820 3.561 0 40 DHAB CCCCCC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 71908764 JSFKKCXDYRHIPY-LJQANCHMSA-N 301.839 3.737 0 40 DHAB Cc1ccccc1COC[C@H]1CCCN1C(=O)OC(C)(C)C 72203952 VVHPEEPBHAOAHP-MRXNPFEDSA-N 305.418 3.911 0 40 DHAB CCc1ccc(C(=O)Nc2cc(N(C)C)c(N)cc2Cl)cc1 72229185 BZFIDYSMZWZNCB-UHFFFAOYSA-N 317.820 3.803 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)c1cnc(-c2ccccc2)o1 72238731 WHXYOXVDMIVJLO-UHFFFAOYSA-N 319.769 3.828 0 40 DHAB CCc1csc([C@@H]2CCCN(C(=O)CCc3ccco3)C2)n1 72282288 IRHLSAFSEAETNH-CYBMUJFWSA-N 318.442 3.637 0 40 DHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 72414377 OUAVJJOEFYGQNR-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Nc2cc(F)ccc2C)cc1 75138337 WMUQOBGBCWHYLX-UHFFFAOYSA-N 301.321 3.737 0 40 DHAB C[C@H](O)CCN(C)C(=O)Nc1ccc(SC2CCCC2)cc1 80168030 ZEVIRRUYCPFIHV-ZDUSSCGKSA-N 322.474 3.956 0 40 DHAB Fc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)no2)cc1 89793810 FDLFXNRILLWGLO-UHFFFAOYSA-N 308.272 3.593 0 40 DHAB CC[C@H](C)Oc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1 95958949 YOZRXTMKUHFLOS-ZDUSSCGKSA-N 301.390 3.894 0 40 DHAB O=C(C[C@@H]1CCCN1Cc1nccn1C(F)F)c1ccccc1 95965475 SFTXPBDUFGBOOD-AWEZNQCLSA-N 319.355 3.516 0 40 DHAB CSc1c(F)cc(NC(=O)N(C)Cc2ccncc2)cc1F 96010701 JFMDJEFYARMYBI-UHFFFAOYSA-N 323.368 3.746 0 40 DHAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3C)cc2)C1 96122423 USOJAPLJQZGZLE-GOSISDBHSA-N 324.424 3.863 0 40 DHAB CCN(Cc1ccoc1)C(=O)Nc1cccc(-c2nccn2C)c1 96413405 XQVIREDVEDUVSD-UHFFFAOYSA-N 324.384 3.734 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102595279 DTMAZMKJRNMIRQ-LFRCEIEQSA-N 301.430 3.703 0 40 DHAB CCN1CCCC[C@@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 104143379 SSKXRXFROGHPNO-OAHLLOKOSA-N 313.401 3.518 0 40 DHAB C[C@]12CC(CO)=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118926544 BWYWJEOODYEXFU-KWQGSUNZSA-N 304.474 3.919 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3F)cc2)n1 148118996 BAEKRXDHFUPQON-UHFFFAOYSA-N 323.371 3.940 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCc2ccccc21 224328661 WBMJPMMWEWLFKJ-HNNXBMFYSA-N 321.420 3.922 0 40 DHAB CCC[C@@H](C)NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224849854 UJMCLZFZURNLPI-CYBMUJFWSA-N 316.401 3.588 0 40 DHAB COc1ccc(NC(=S)NC(C(C)C)C(C)C)c(OC)c1 225326316 XGJDJTBOQTUJBD-UHFFFAOYSA-N 310.463 3.671 0 40 DHAB CC1(C)COc2ccc(C(=O)N3CCCCCC3)cc2OC1 225361310 OMEGMWHJLGZRMV-UHFFFAOYSA-N 303.402 3.500 0 40 DHAB CO[C@@H](CNC(=O)c1ccsc1)c1ccc(Cl)s1 225700007 RXJCBDFABSHHQO-VIFPVBQESA-N 301.820 3.581 0 40 DHAB Cc1ccccc1C(=O)Nc1cc(/C=C/C(=O)O)ccc1Cl 226357126 NGVSFXZZKBOVSL-VQHVLOKHSA-N 315.756 3.999 0 40 DHAB COc1cccc(C(=O)N2CCC[C@@H]2CCc2ccnc(C)c2)c1 257334082 YELBHRIJBYVJKW-GOSISDBHSA-N 324.424 3.636 0 40 DHAB Cn1c(-c2ccccc2)ccc1-c1nc(-c2ccc(O)nc2)no1 350793592 LFIDCOAXEZKBRJ-UHFFFAOYSA-N 318.336 3.510 0 40 DHAB CCOc1ccc(NC(=O)NC(=S)c2ccccc2)cc1 408732369 QHGHHOVPMRFQOX-UHFFFAOYSA-N 300.383 3.583 0 40 DHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1 409147052 MFEWVOCVGPBKPP-GFCCVEGCSA-N 310.825 3.611 0 40 DHAB COc1ccc(Cn2ncc3cc(Cl)nc(Cl)c32)cc1 575624868 RNVMAXYYKSMRKW-UHFFFAOYSA-N 308.168 3.795 0 40 DHAB FCc1cc2cccc(I)c2nc1Cl 685937206 MZXFSZWWGLQFQX-UHFFFAOYSA-N 321.520 3.962 0 40 DHAB O=C(c1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1775975675 MDHWEUYHJOGKMA-GJZGRUSLSA-N 315.804 3.545 0 40 DHAB Cc1noc(C)c1CN1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776008448 FUIVJMFXZPGQQH-KBPBESRZSA-N 320.824 3.509 0 40 DHAB O=C(NC(=S)Nc1ccccc1)c1cccc2ccccc12 404614 ZSZPVHJTACAZNI-UHFFFAOYSA-N 306.390 3.967 0 40 DHAB COc1ccc(Nc2cccc(C(F)(F)F)c2)c(C(N)=O)c1 481307 OEUZSFMWEHHQCN-UHFFFAOYSA-N 310.275 3.557 0 40 DHAB CC(=O)N1c2ccccc2S(=O)(=O)c2c1ccc1ccccc21 1671861 VVVMMENIEXXPRH-UHFFFAOYSA-N 323.373 3.671 0 40 DHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cccc3ccccc13)C2=O 2660698 IOWSGUMNTHCMGS-VBKZILBWSA-N 322.408 3.841 0 40 DHAB C/C=C/c1ccc(OCC(=O)Nc2nc(C)cs2)c(OC)c1 3415228 ABJHZXPOGZZHNK-SNAWJCMRSA-N 318.398 3.511 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 3553648 IVSAWYWFELUEKC-FZKQIMNGSA-N 311.381 3.979 0 40 DHAB CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 3581493 WGYGBJRNLINQGE-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB CNC(=S)NCC[C@@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 3765654 PALXKTBPCHKKQT-CZUORRHYSA-N 315.486 3.700 0 40 DHAB CC(C)(C)OC(=O)[C@@H](C(=O)Cc1ccccc1)c1ccccc1 3847979 XYOUGEMLCVAPKX-GOSISDBHSA-N 310.393 3.924 0 40 DHAB biogenic CCSc1nnc2c(n1)O[C@@](C)(CC)Nc1ccccc1-2 5446785 HLMITUPJKHUOHI-HNNXBMFYSA-N 302.403 3.581 0 40 DHAB O=C(CSc1ccccc1C(=O)O)Nc1cccc(Cl)c1 5771098 VVFFPBZYSNRPJD-UHFFFAOYSA-N 321.785 3.769 0 40 DHAB CC(C)(C)C1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1 6271699 LNLSYPIUJCFKGM-UHFFFAOYSA-N 302.418 3.577 0 40 DHAB COC(=O)N1CCCc2cc(NC(=O)c3ccccc3C)ccc21 6668488 ZWBJUWGSSUAAMY-UHFFFAOYSA-N 324.380 3.766 0 40 DHAB Cc1cc(C)c(C(=O)COc2ccc(-c3nnco3)cc2)cc1C 6946246 LMOOPGWPYYRKTD-UHFFFAOYSA-N 322.364 3.924 0 40 DHAB CCc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(F)cc2)cc1 7267409 NKYKCLMZCHOJPN-CQSZACIVSA-N 314.404 3.847 0 40 DHAB Cc1csc(NC(=O)Cc2c(Cl)cccc2Cl)n1 7968950 NZEDWMDWNGXHCS-UHFFFAOYSA-N 301.198 3.940 0 40 DHAB COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Cl 9118883 DTCSEGHESDGQBU-LLVKDONJSA-N 304.777 3.788 0 40 DHAB Cc1cc(C)cc(OCCC(=O)NCc2ccc(F)cc2)c1 12931182 MHGDGWFERRTLFN-UHFFFAOYSA-N 301.361 3.528 0 40 DHAB CCC(CC)NC(=O)N[C@@H](C)c1ccc(Br)cc1 12947496 HYMNXVKTBXTUAE-JTQLQIEISA-N 313.239 3.998 0 40 DHAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C 13947259 HROXODNGSMXDSG-CYBMUJFWSA-N 315.866 3.910 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CSCc2cccs2)c1 13985959 VGQAGWKWUPEOSF-UHFFFAOYSA-N 320.439 3.578 0 40 DHAB CCOc1ccccc1-c1nnc(NC(=O)c2cccc(C)c2)o1 19927150 LBELDHGLBVVQLW-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 20029849 YJFHXBOCZREZQT-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(F)cc1 20493318 FHYDFSRIUPVRMV-CYBMUJFWSA-N 303.402 3.764 0 40 DHAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H](C)O1 24002269 LKVKAYUOSLMJRV-HOTGVXAUSA-N 324.424 3.548 0 40 DHAB Cc1cc(CS[C@@H](C)C(=O)Nc2ccccc2Cl)no1 27190947 GRRVLPGPTXZXAH-JTQLQIEISA-N 310.806 3.897 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2ccccc2)N2CCCCC2)cc1 27581867 JQMBMAIUENZUJR-FQEVSTJZSA-N 322.452 3.952 0 40 DHAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(-n2cccn2)nc1 29111570 ZJLQRINNFQQZPG-RMKNXTFCSA-N 324.771 3.573 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)Nc1cnc2ccccc2c1 30706888 WSIOCTFOUNEXBN-CQSZACIVSA-N 306.365 3.779 0 40 DHAB C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CC/C(=C/CO)CO 31157441 NNDLUXBYTPAACV-ZJDPNWPPSA-N 324.505 3.671 0 40 DHAB biogenic,in-vitro S=C1SCN(Cc2ccccc2)CN1Cc1ccco1 31760835 YVGRTHFXWYEKNL-UHFFFAOYSA-N 304.440 3.531 0 40 DHAB COc1cccc(NC(=O)Nc2cc(C)nn2C2CCCC2)c1 32610567 SWCKLSIMOFZNEO-UHFFFAOYSA-N 314.389 3.959 0 40 DHAB CCCCC(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 32832161 VJZRNLIGQNLUFB-UHFFFAOYSA-N 314.385 3.798 0 40 DHAB CC[C@@H](NC(=O)c1cc(C)no1)c1ccc(Br)cc1 36758581 GJPDBMKKQALBJB-GFCCVEGCSA-N 323.190 3.627 0 40 DHAB CNC(=O)c1ccc(Cl)c(NCCCc2ccccc2)c1 37069085 VRQWDGBKAIDZRF-UHFFFAOYSA-N 302.805 3.744 0 40 DHAB CCCc1noc([C@@H](C)Nc2cc(OC)c(OC)cc2C)n1 40496510 IJTGWQFDDYIZIB-LLVKDONJSA-N 305.378 3.521 0 40 DHAB CCSc1nnc(SCC[C@@H]2CCCCN2C)s1 44865555 UJEPMFGTYUSYAE-JTQLQIEISA-N 303.522 3.617 0 40 DHAB C[C@H](NC(=O)c1cc(Cl)sc1Cl)c1ccncc1 44868431 WIOCTIQXVMDKDV-ZETCQYMHSA-N 301.198 3.941 0 40 DHAB Cc1cc([C@H]2CCCN2Cc2ccc(-n3cccn3)cc2)on1 44975716 KZVVRDIALHBUBR-QGZVFWFLSA-N 308.385 3.506 0 40 DHAB C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CCSc2ccccc21 48253718 CAOGGRJYXQDYGS-WFASDCNBSA-N 316.426 3.747 0 40 DHAB CCCCc1noc([C@H](C)N2CCN(CCC(C)(C)C)CC2)n1 57992261 DTYBEWIOGWDOKQ-HNNXBMFYSA-N 322.497 3.527 0 40 DHAB Cc1cccc(N(Cc2ccccc2)C(=O)CN2CCCC2)c1 58010610 OQIATTGXTOLAMV-UHFFFAOYSA-N 308.425 3.624 0 40 DHAB CCCCOCCCNC(=O)[C@@]1(C)CCCc2ccccc21 58344155 DWVVNBOSLCQNMZ-IBGZPJMESA-N 303.446 3.604 0 40 DHAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@H]2CCCC[C@@H]21 58418815 AZQFNKYMBRLIAG-YJBOKZPZSA-N 321.424 3.938 0 40 DHAB CCCO[C@H]1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 58429336 ZRGKNGBYAQDJQW-INIZCTEOSA-N 314.429 3.816 0 40 DHAB COc1cccc(/C=C/C(=O)Nc2cc(C)ccc2NC(C)=O)c1 65500780 FTXXJKSOBJDHTF-CSKARUKUSA-N 324.380 3.614 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1cccc2[nH]ccc12 65536796 LMYKQPBYWVOMLD-FNORWQNLSA-N 320.348 3.591 0 40 DHAB CC[C@H](C)n1ncc2c(C(=O)Nc3ncccc3C)cc(C)nc21 69380123 SILDYKPHYPXZTK-ZDUSSCGKSA-N 323.400 3.666 0 40 DHAB O=C(O)C1=NN(c2ccccc2Cl)[C@@H](c2ccccc2)C1 71978988 FSJSZEPSTIPBOS-OAHLLOKOSA-N 300.745 3.732 0 40 DHAB CC[C@@H](OC1CCCC1)C(=O)N1CCCC[C@H]1c1nccs1 72298585 HNKPXHLHLWJYSF-LSDHHAIUSA-N 322.474 3.935 0 40 DHAB C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cccc(F)c2)C1 72305932 DEDGLWDAROWTIX-SJCJKPOMSA-N 308.397 3.525 0 40 DHAB Cc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccccc2)cc1 72328943 UKPZLPCADIVGEK-AWEZNQCLSA-N 305.381 3.876 0 40 DHAB COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc12 72329586 KCZXEVGQNPXOPL-LBPRGKRZSA-N 324.355 3.874 0 40 DHAB CC(=O)Nc1nc(-c2cccs2)c(-c2cc(C)no2)s1 72342647 QXUOIFDUXIAZIX-UHFFFAOYSA-N 305.384 3.793 0 40 DHAB Cc1ccc2c(ccn2CC(=O)Nc2nnc(C(C)C)s2)c1 75233541 MBTGKAUXRUSSLT-UHFFFAOYSA-N 314.414 3.563 0 40 DHAB Cc1ccc([C@H](NC(=O)c2c(O)cc(F)cc2F)C2CC2)cc1 84148671 SHNOWDHRCRTZMN-KRWDZBQOSA-N 317.335 3.860 0 40 DHAB C[C@@H](CC(=O)OC[C@@H]1CCN(c2ccccc2)C1)c1ccncc1 84636937 ZNUKDJIGJOKJGA-DLBZAZTESA-N 324.424 3.645 0 40 DHAB CN(Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCSC1 89356055 IPQGVFLXCLXXMU-KRWDZBQOSA-N 314.454 3.598 0 40 DHAB O=C(Nc1cccc(-c2ncco2)c1)[C@@H]1COc2ccccc2C1 89857887 QRWLPPQJDXPPQH-HNNXBMFYSA-N 320.348 3.531 0 40 DHAB Brc1cncnc1N1CCCC[C@@H]2CCCC[C@@H]21 95457987 MQQLUAOERQWREA-AAEUAGOBSA-N 310.239 3.788 0 40 DHAB c1cc(CN2CCC3(C2)CN(Cc2ccsc2)C3)cs1 96046482 SIGINFWLOWLZFR-UHFFFAOYSA-N 304.484 3.518 0 40 DHAB COCC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 96423531 KGGBYNUOZKEJBW-CQSZACIVSA-N 313.397 3.528 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cccnc2-n2ccnc2C)C1(C)C 96999285 DRZKEVXJKOKCBQ-GOEBONIOSA-N 324.428 3.753 0 40 DHAB C[C@H](Oc1cccnc1NCc1cncn1C)c1ccccc1 97094790 YBNDUGJBTMIXOV-AWEZNQCLSA-N 308.385 3.567 0 40 DHAB COc1cccc(-c2nnc(-c3cnc(C(C)C)nc3C)o2)c1 216611483 OXXNKLWIWBIAKA-UHFFFAOYSA-N 310.357 3.634 0 40 DHAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COCC(C)C)c1 224454089 ZJUBWPUSZKZYEW-AWEZNQCLSA-N 307.434 3.786 0 40 DHAB CCCOc1ccc(NC(=O)C(C)(C)Br)cc1 225593615 NWHGJQCHIXPRGH-UHFFFAOYSA-N 300.196 3.587 0 40 DHAB CCCOc1c(C)cc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225645728 YMOUOSCKRGFGQN-SFHVURJKSA-N 305.418 3.846 0 40 DHAB Cc1csc(-c2cc(CC3CCN(C(C)C)CC3)ncn2)n1 257232102 GJLAPAUNYQFNES-UHFFFAOYSA-N 316.474 3.571 0 40 DHAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(C)C)cc1 408674550 AAWVWEWTGYQALU-UHFFFAOYSA-N 320.392 3.622 0 40 DHAB Cc1ccccc1[C@@H]1CN(C(=O)C2CC(C)(C)C2)[C@H](C)CO1 552255931 ZVGLVXULIJDBKX-PBHICJAKSA-N 301.430 3.720 0 40 DHAB CSCC[C@@H](C(=O)Nc1cccc2[nH]ccc12)n1cccc1 575443377 RQVLKIZZRJBGIP-INIZCTEOSA-N 313.426 3.902 0 40 DHAB CC(C)c1ncsc1NC(=O)Nc1cccc(CC(=O)O)c1 584709892 NROAGALXHCICIC-UHFFFAOYSA-N 319.386 3.538 0 40 DHAB O=S(=O)(Cc1cnsn1)c1ccc(C2CCCCC2)cc1 585136370 CLLYIESFNHNDDG-UHFFFAOYSA-N 322.455 3.560 0 40 DHAB CC(C)[C@H](CC(=O)NCc1ccco1)[C@@H]1CCOC(C)(C)C1 490653 QDRDTGUYNYCXRZ-ZBFHGGJFSA-N 307.434 3.763 0 40 DHAB biogenic O=C(O)CCCC(=O)n1c(Cc2ccccc2)nc2ccccc21 520050 GGXDGKCTUPLYAQ-UHFFFAOYSA-N 322.364 3.522 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@@H]1CCCC[C@H]1SCC2=O 1556480 XOHRFHYQHDDXHS-QMTHXVAHSA-N 322.426 3.668 0 40 DHAB O=C(Nc1ccc2c3c(ccc(C(=O)O)c13)CC2)c1ccccc1 1727940 UXPQYVMGMJJYRI-UHFFFAOYSA-N 317.344 3.889 0 40 DHAB CCOC(=O)c1ccccc1C(=O)CCc1ccc(OC)cc1 2516550 KXZASPJIXIYLGV-UHFFFAOYSA-N 312.365 3.687 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1 2628350 NVPULQRBTOUZRC-UHFFFAOYSA-N 303.793 3.834 0 40 DHAB Cc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 2966506 JYATVUVHSOPIIY-NRFANRHFSA-N 321.444 3.645 0 40 DHAB O=C(CSCc1ccccc1)NCc1ccccc1Cl 3438251 YJRJYBWSHNQKJS-UHFFFAOYSA-N 305.830 3.890 0 40 DHAB CCOC(=O)c1ccsc1NC(=O)/C=C/c1cccs1 4275710 CTIWMECIVXRXNJ-AATRIKPKSA-N 307.396 3.638 0 40 DHAB CCCOC(=O)c1cc(C)nc2ccc(Br)cc12 4832557 MCLVEGURQLWRJT-UHFFFAOYSA-N 308.175 3.873 0 40 DHAB CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)O 6948989 ATRLBYTZTOJYSY-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB CCCCNc1nc(-c2cc(C)n(-c3ncn[nH]3)c2C)cs1 7844044 SROJVDRTCOTZIY-UHFFFAOYSA-N 316.434 3.548 0 40 DHAB COc1ccc2oc(C(=O)N[C@H](C)c3ccccn3)c(C)c2c1 7990847 QQBJIIHSXUVQST-GFCCVEGCSA-N 310.353 3.636 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Cl)ccn1 8025771 ZTVAIHWTAMZWRG-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB COCCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 8036794 NZFWSWXXWCXYKX-UHFFFAOYSA-N 303.402 3.560 0 40 DHAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)C(F)(F)F 8054026 YXNPPIXWTNIFJF-UHFFFAOYSA-N 306.243 3.996 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccc(F)cc1Br 8060351 CPCPMSBRPRLJMM-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CC(=O)Nc1ccc(N[C@H](C)c2nnc(-c3ccccc3)o2)cc1 9114805 AGDSJGLYQPRBQV-GFCCVEGCSA-N 322.368 3.868 0 40 DHAB C[C@H]1CN(C(=O)c2ccccc2CCc2ccccc2)C[C@H](C)O1 9190788 ONAQTCKZLOGETB-IRXDYDNUSA-N 323.436 3.721 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)c1cc2ccccc2oc1=O 9455670 MBSAUGPACLLFSU-CYBMUJFWSA-N 307.349 3.592 0 40 DHAB Cc1cccc(CCCNC(=O)COc2cc(C)cc(C)c2)c1 10110822 SFVCKEBLNMVNQW-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB COc1cccc(-c2nc(COC(=O)c3ccco3)cs2)c1 10669300 MTCTYCGNMRCIEU-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB CC[C@H](C)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 12629254 LPRSUVFPXXTLMV-NSHDSACASA-N 309.479 3.622 0 40 DHAB CC(C)(C)C(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12794721 IQDWIHCWARXCHM-VOTSOKGWSA-N 307.444 3.744 0 40 DHAB CCOc1ccc(-c2csc(Nc3cc(C)nn3C)n2)cc1 12860578 WNDDJCJTSHKQFZ-UHFFFAOYSA-N 314.414 3.994 0 40 DHAB C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(Cl)cc1 12938894 NAHUOMXFOGTLLB-WFASDCNBSA-N 315.800 3.769 0 40 DHAB Cc1ccc(CCCNC(=O)COc2ccc(Cl)cc2)cc1 13668959 WSCVLOFBKGGFTD-UHFFFAOYSA-N 317.816 3.776 0 40 DHAB c1csc(-c2csc(Cc3nnc4n3CCCCC4)n2)c1 14168070 MTAGCDQCYUUAKS-UHFFFAOYSA-N 316.455 3.780 0 40 DHAB Brc1cc(I)cc2[nH]ccc12 14984704 WHTFZEOIVYZUIY-UHFFFAOYSA-N 321.943 3.535 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1noc2c1C[C@H](C)CC2 20572107 QHNTUSDIPOJZNM-SECBINFHSA-N 320.776 3.714 0 40 DHAB CCc1ccc([C@@H](CNC(=O)c2sccc2C)N(C)C)cc1 22683927 ONOFMJAWCGZEMH-MRXNPFEDSA-N 316.470 3.652 0 40 DHAB O=C(Nc1nc(C2CC2)cs1)c1c[nH]nc1-c1ccccc1 25563143 KPSKJHHVKAYYEI-UHFFFAOYSA-N 310.382 3.663 0 40 DHAB COc1cccc(/C=C/C(=O)N(C)[C@H]2CCc3ccccc32)c1 27818449 ODDOXYKJKHBTHP-QHSLDKKCSA-N 307.393 3.854 0 40 DHAB CC1CCC(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)CC1 32836309 FGFOFZXYXGIKJP-UHFFFAOYSA-N 321.289 3.620 0 40 DHAB COc1cc(CNCc2ccc(C)cc2C)cc(OC)c1OC 39979623 ITZXZYVTYKVAAW-UHFFFAOYSA-N 315.413 3.619 0 40 DHAB CCCN(Cc1ccccc1)C(=O)Nc1nnc(C2CC2)s1 43360298 LUOKUFHSOCQVKK-UHFFFAOYSA-N 316.430 3.860 0 40 DHAB CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@H](C)CC)cc1 48324603 YPPKPIZURXQWGF-KGLIPLIRSA-N 305.418 3.599 0 40 DHAB CNC(=O)c1ccccc1OCCCOc1ccc(Cl)cc1 58789934 RYOAQGPNUIJFTE-UHFFFAOYSA-N 319.788 3.548 0 40 DHAB Cc1nnc([C@@H](CC(=O)Nc2ccccc2)c2ccccc2)o1 61993540 KRODPWXPKBLFHO-INIZCTEOSA-N 307.353 3.539 0 40 DHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1c(C)n[nH]c1C 65446818 WKAXSZLGFDOJOK-CYBMUJFWSA-N 316.405 3.763 0 40 DHAB CC[C@H](c1ccc(F)cc1)N1CCC(c2noc(C)n2)CC1 71915656 BIQZKVOTQWVUBS-MRXNPFEDSA-N 303.381 3.848 0 40 DHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc2ncccc12 76384561 WBCBAEOIIPKXRC-RDTXWAMCSA-N 312.413 3.560 0 40 DHAB O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@@H]1C1CCC1 84444897 OBZITHBKXWDHBX-CQSZACIVSA-N 316.426 3.737 0 40 DHAB FC(F)(F)C1=CCN(Cc2ccn(-c3ccccc3)n2)CC1 89857614 FUZMAQNFYTUERW-UHFFFAOYSA-N 307.319 3.567 0 40 DHAB C[C@@H](c1cccnc1)N(C(=O)c1ccnn1C1CCCC1)C1CC1 89910003 STVCFNIHUJSWEC-AWEZNQCLSA-N 324.428 3.759 0 40 DHAB CCCOc1c(C)cc(-c2noc([C@@H]3CCCNC3)n2)cc1C 95095381 PUFUITMTWANJQJ-CQSZACIVSA-N 315.417 3.609 0 40 DHAB CSC[C@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1 95411686 WUVPDCKTYRWSML-INIZCTEOSA-N 303.471 3.611 0 40 DHAB O=[S@@](Cc1csc(-c2ccccc2)n1)Cc1nccs1 95431224 GWGYMVYXWMDIFL-HXUWFJFHSA-N 320.464 3.716 0 40 DHAB CC[C@H](C)Oc1cccc(NC(=O)N2C[C@H](C)OC[C@@H]2C)c1 95454939 UIEOXTPWMKCNPI-IHRRRGAJSA-N 306.406 3.505 0 40 DHAB O=C(O)c1nccc2nc(-c3c(Cl)cccc3Cl)[nH]c12 95726821 UIDHXSRURNPFLM-UHFFFAOYSA-N 308.124 3.630 0 40 DHAB CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 97143235 BJEFDNDVORUICD-RTBURBONSA-N 323.392 3.539 0 40 DHAB C[C@@H](C(=O)NC(C)(C)C)c1cccc(C(=O)c2ccccc2)c1 98073079 LQMFUZBWURRUDT-CQSZACIVSA-N 309.409 3.936 0 40 DHAB C[C@@]12CC3CC(NS(=O)(=O)c4ccccc4)(C1)C[C@@](C)(C3)C2 100980800 CORZIRFJVYXBON-YCHGYYGWSA-N 319.470 3.714 0 40 DHAB O=C(CCc1cccs1)N1CCC[C@H](c2nccs2)C1 171647386 NFGVBHMIZIWYND-LBPRGKRZSA-N 306.456 3.543 0 40 DHAB Nc1nnc(-c2cccc(OCc3ccccc3Cl)c2)o1 216800896 GYBQDMKWSNGSIL-UHFFFAOYSA-N 301.733 3.551 0 40 DHAB S=C(Nc1ncc(Cl)nc1Cl)NC1CCCCCC1 224041493 IMTDEVATKZVCSS-UHFFFAOYSA-N 319.261 3.793 0 40 DHAB CCOc1ccc(-c2cnc(CCC(=O)N(CC)CC)o2)cc1 224860148 WSXKFBMMGADLRQ-UHFFFAOYSA-N 316.401 3.541 0 40 DHAB Cc1cccnc1NC(=S)NCCCc1ccccc1Cl 225542350 BCYVAYDNCXFBDD-UHFFFAOYSA-N 319.861 3.963 0 40 DHAB CCN(CC)c1ccc(NC(=O)c2cccc(F)c2)cc1N 226266832 WQLNBKCLNVXFBB-UHFFFAOYSA-N 301.365 3.506 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCc1ccc(C2CC2)nc1 1565523110 YRGXUNDKVJCMOG-UHFFFAOYSA-N 316.788 3.551 0 40 DHAB CC(C)(C)NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 525370 OEQGGFBYHMWHKB-UHFFFAOYSA-N 312.438 3.756 0 40 DHAB Cc1ccccc1-c1nnc2sc(COc3ccccc3)nn12 529945 HGGOEZNADRXNOZ-UHFFFAOYSA-N 322.393 3.740 0 40 DHAB NC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 2425399 VHHIHHVAYBAKCT-UHFFFAOYSA-N 318.201 3.665 0 40 DHAB CCc1nc2ccccc2c(C(=O)OCC(=O)C(C)(C)C)c1C 3342264 GVVKZAKILQTAEG-UHFFFAOYSA-N 313.397 3.878 0 40 DHAB O=c1[nH]c2c(s1)[C@@H]1c3ccccc3O[C@H]3CCC[C@H](S2)[C@H]31 4484432 RPODNVZRIFIAQZ-RVMXOQNASA-N 317.435 3.604 0 40 DHAB CSc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1 4517549 WACQQSHFPOUCQX-UHFFFAOYSA-N 317.395 3.772 0 40 DHAB CC1(C)C=C2c3cccc(C(=O)O)c3C(=O)N2c2ccccc21 4651152 OOYRONJAEDEULW-UHFFFAOYSA-N 305.333 3.677 0 40 DHAB Cc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(F)cc2)C(=O)N1 4852925 OWLCXSOAPCDYRZ-YJBOKZPZSA-N 312.344 3.904 0 40 DHAB COc1ccc(NC(=O)c2ccc3c(c2)CCCC3)c(OC)c1 5405014 JEBCRRXPGKWRGK-UHFFFAOYSA-N 311.381 3.835 0 40 DHAB Cc1ccc2nc([C@H]3CC(=O)N(c4ccccc4C)C3)[nH]c2c1 5818444 HYMSVSWVPRAKEM-AWEZNQCLSA-N 305.381 3.700 0 40 DHAB COc1ccccc1CSc1nnc(C)n1-c1ccccc1 6110288 ZKBVZPPOBOQHGJ-UHFFFAOYSA-N 311.410 3.877 0 40 DHAB O=S(=O)(Nc1ccccc1SC(F)F)c1ccccc1 7055871 ARHNUYJXNHFABP-UHFFFAOYSA-N 315.366 3.802 0 40 DHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(F)cc1 7070538 VVRCVWVCXNLWOV-UHFFFAOYSA-N 317.345 3.509 0 40 DHAB N=C(N)SCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 7715634 MDPYFDLAPHLMHN-HNNXBMFYSA-N 318.373 3.560 0 40 DHAB CN(CC(=O)Nc1ccccc1)Cc1ccc2ccccc2c1 8127429 CMQDWYMURRFWEI-UHFFFAOYSA-N 304.393 3.910 0 40 DHAB Cc1cc(NCc2ccc(C(=O)O)o2)ccc1Br 8702241 VDSVCYDYMODCBL-UHFFFAOYSA-N 310.147 3.661 0 40 DHAB COc1cc(NC(=O)Cc2ccsc2)c(OC)cc1Cl 8937631 VUKDQWXPOHKKMN-UHFFFAOYSA-N 311.790 3.600 0 40 DHAB Cc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1 9087654 OQNKHPODKFJSCC-OAHLLOKOSA-N 303.365 3.859 0 40 DHAB CCCc1cc2c3c(c(=O)oc2c(C(C)=O)c1O)CCCC3 11866517 BQWZYVJSRKKZLN-UHFFFAOYSA-N 300.354 3.533 0 40 DHAB biogenic O=C(Nc1nc2c(s1)CCCC2)[C@H]1Cc2ccccc2S1 12255769 AISAURATHZPAOX-CQSZACIVSA-N 316.451 3.677 0 40 DHAB Cc1cc(NC(=O)C2CC2)n(-c2nc(-c3ccccc3)cs2)n1 12441686 DOYCTFGSCNQUAA-UHFFFAOYSA-N 324.409 3.653 0 40 DHAB Cc1sc2nc([C@H](C)Nc3ccc(F)cc3)[nH]c(=O)c2c1C 12767171 WPNOYPDOSYQUPN-VIFPVBQESA-N 317.389 3.914 0 40 DHAB Cc1cc(=O)oc2c(O)c3c(cc12)CCC1(CCCCC1)O3 12896107 NLCPWZUIGBMEMB-UHFFFAOYSA-N 300.354 3.835 0 40 DHAB biogenic CCCCc1nnc(NC(=O)Nc2cccc(OC)c2)s1 13550863 TXCBYSPSRMFDIF-UHFFFAOYSA-N 306.391 3.533 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N1CCCC1 13995807 UXBMQPLDAFVGNT-OUKQBFOZSA-N 320.392 3.575 0 40 DHAB COc1ccc(S(=O)(=O)Oc2cccc(C(C)C)c2)cc1 16090554 XZWOHAGEXGYXJC-UHFFFAOYSA-N 306.383 3.586 0 40 DHAB COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(N)c1 20343458 UGVDBSCCZGOZCM-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cc1cccc(N2CCN(Cc3cnc(Cl)s3)C[C@H]2C)c1 20367036 AVUUIXDNELRJGS-CYBMUJFWSA-N 321.877 3.816 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Cc1cc(C)ccc1C 22530046 WWESSADQSWJKJU-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB Cc1nc(CCNC(=O)c2cccc(Cl)c2Cl)cs1 22761606 MWJYSXBPLDYBIV-UHFFFAOYSA-N 315.225 3.731 0 40 DHAB Cn1c(SCc2csc(-c3ccco3)n2)nnc1C1CC1 25520332 MOGLFRFZSBVBKI-UHFFFAOYSA-N 318.427 3.701 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 26502158 JUGYTNOWLAPCFP-VXGBXAGGSA-N 305.324 3.610 0 40 DHAB CCCc1nnc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)s1 27794650 HRXZLJQTDKOCAB-LBPRGKRZSA-N 319.430 3.513 0 40 DHAB CC(C)c1cc(C(N)=O)c(NC(=O)c2c(F)cccc2F)s1 27927814 MBKRROVCRTWNAG-UHFFFAOYSA-N 324.352 3.501 0 40 DHAB c1cnc2c(CCNc3ncnc4ccsc34)cccc2c1 29627246 CGDSMGRATRHMHR-UHFFFAOYSA-N 306.394 3.894 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(C)cc1 30871509 COVKERRJLQXERW-KRWDZBQOSA-N 321.417 3.705 0 40 DHAB O=C(Cc1ccccc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32074611 DEWJCAHKNZAWCP-UHFFFAOYSA-N 304.393 3.902 0 40 DHAB Cc1ccc2ncnc(OCc3ccc(-n4cccn4)cc3)c2c1 32923738 RVVDRNJITACRMY-UHFFFAOYSA-N 316.364 3.703 0 40 DHAB Cc1cccc(CN(c2c(C)cccc2C)S(C)(=O)=O)c1 33751624 FKHZMTLFVXTQFH-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB C[C@@H](OCc1ccccc1)C(=O)NCCc1cccc(Cl)c1 40088812 NJZARYXKYHNQCL-CQSZACIVSA-N 317.816 3.604 0 40 DHAB CCN(CC)[C@H](CNC(=O)Cc1cccs1)c1ccsc1 46940477 BNGDZTJDKDRNRX-OAHLLOKOSA-N 322.499 3.551 0 40 DHAB NC(=O)c1ccc(CN[C@@H](CC(F)(F)F)c2ccccc2)cc1 48782619 CTQCOZYFYMACGE-HNNXBMFYSA-N 322.330 3.569 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@H]2NC1CCCCCCC1 54172781 YIEMRGCHQSRBRA-QGZVFWFLSA-N 319.401 3.575 0 40 DHAB C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccccn1 55651344 LADOEYJMCMQQSL-OAHLLOKOSA-N 319.408 3.887 0 40 DHAB CN(Cc1cc(-c2ccccc2)no1)C1Cc2ccccc2C1 69418394 OJMBIWIUJOZBGI-UHFFFAOYSA-N 304.393 3.941 0 40 DHAB CC(=O)N1CCC[C@@H]1c1cccc(Oc2ccccc2F)n1 72386862 GOTWEUMVEXSCJQ-OAHLLOKOSA-N 300.333 3.696 0 40 DHAB O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[C@H](CCO)C1 76023365 VSFWMRUTTAMYCG-OAHLLOKOSA-N 310.397 3.590 0 40 DHAB CC(C)[C@@H](C)N(Cc1csc(-c2ncccn2)n1)C1CC1 76675448 ZWIARTOXRIQENA-GFCCVEGCSA-N 302.447 3.609 0 40 DHAB CCOC[C@@H]1CCN(C(=O)Nc2nc([C@@H](C)CC)cs2)C1 81637648 SRIMHSOEBQIWAI-NWDGAFQWSA-N 311.451 3.547 0 40 DHAB O=C(COc1cccc2cccnc12)Nc1c(F)cccc1F 82339090 GQHGXHHULQQHIJ-UHFFFAOYSA-N 314.291 3.531 0 40 DHAB C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)c1ncc(C(C)(C)C)o1 95406473 KXDDVYYLKVHQQY-SECBINFHSA-N 321.808 3.898 0 40 DHAB Cc1cccc(N2CCC(N[C@@H](C)c3cccs3)CC2)n1 95422609 GXXWZGVNHZLTBV-AWEZNQCLSA-N 301.459 3.771 0 40 DHAB CC[C@@H](C)c1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)on1 96422273 PRKSAYRCHFGXRE-MNOVXSKESA-N 302.378 3.608 0 40 DHAB CC1(C)C[C@H](NC(=O)CCCc2ccccn2)c2ccccc2O1 96473537 PVGADNCWDOEIBN-KRWDZBQOSA-N 324.424 3.823 0 40 DHAB COc1ccc(C(=O)NCCCc2cccc(C)c2)cc1F 96726972 YOHLVEZFARYBLY-UHFFFAOYSA-N 301.361 3.505 0 40 DHAB COc1cc(C(=O)N(C)[C@H](c2cccnc2)C(C)C)ccc1F 97228214 VUJMVKULVWJSFM-KRWDZBQOSA-N 316.376 3.699 0 40 DHAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(-c2cnco2)cc1 107337862 AJBDYZVKAZORJO-RRQGHBQHSA-N 310.397 3.898 0 40 DHAB Nc1cc(-c2ccc(Br)c(C(F)(F)F)c2)no1 124508607 IFFUVUHFSHOCID-UHFFFAOYSA-N 307.069 3.705 0 40 DHAB CC[C@H](C)NC(=O)CSCc1ccccc1Br 185334543 DOVSLIRUGFDYBB-JTQLQIEISA-N 316.264 3.597 0 40 DHAB Fc1c(Br)cc2[nH]c(C(F)(F)F)nc2c1F 258840210 ZGTIUPZZQUHELX-UHFFFAOYSA-N 301.012 3.622 0 40 DHAB COc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 260659313 XHJOZHKUHNWZAN-KWBADKCTSA-N 310.850 3.824 0 40 DHAB Fc1cccc(C[C@H]2CCCN2Cc2nccn2C(F)F)c1 330032934 VDZSVRCLGCCDBI-CQSZACIVSA-N 309.335 3.624 0 40 DHAB Cc1cc(C)cc(-c2noc(Cn3ccc(C(F)(F)F)n3)n2)c1 546401770 QCPCRZAMPZSUNV-UHFFFAOYSA-N 322.290 3.617 0 40 DHAB CCc1oc(C(=O)O)cc1CN(C)[C@H]1CCc2ccccc2C1 572609463 QPHZQKHRWGVTCG-INIZCTEOSA-N 313.397 3.530 0 40 DHAB Cc1nn(C)cc1CNc1cccc2oc(C(F)(F)F)nc12 585139124 AGMBRZDYNNCZLD-UHFFFAOYSA-N 310.279 3.501 0 40 DHAB C[C@@H]1CCc2c(sc3c2c(=O)nc2n3Cc3ccccc3-2)C1 1565525006 VVIDBABQGVTCAB-SNVBAGLBSA-N 308.406 3.612 0 40 DHAB Clc1ccc2ncc(-c3ccc([C@@H]4CCCNC4)nc3)n2c1 2037845837 LOXSJDNLQHIIOS-GFCCVEGCSA-N 312.804 3.517 0 40 DHAB CCC(=O)Oc1ccc2cc([C@@H](C)CC(=O)OC)ccc2c1 2060993670 GTJBSJSVGUFHON-LBPRGKRZSA-N 300.354 3.822 0 40 DHAB Cc1cccc(N2CCC[C@H](COc3ncccc3Cl)C2)n1 2298192533 GNXBBOQNWGGTHG-AWEZNQCLSA-N 317.820 3.734 0 40 DHAB O=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1 421728 GHOSLWGGGQYWDD-UHFFFAOYSA-N 320.370 3.912 0 40 DHAB Cc1cccc(-n2nc3c(c2NC(=O)C2CC2)CSC3)c1C 425773 BUEPANRSGKALAK-UHFFFAOYSA-N 313.426 3.584 0 40 DHAB Cc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 935808 CNHWUGZOQQXRJZ-CYBMUJFWSA-N 324.449 3.940 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(CN2CCCCC2)cc1 2514542 BZQJWZJHAIYNAH-UHFFFAOYSA-N 317.429 3.589 0 40 DHAB OCc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccccc1 2541920 XCLQHUSILPWMTG-UHFFFAOYSA-N 302.736 3.824 0 40 DHAB CCCCc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 3178581 NMWUMFFCYORISD-UHFFFAOYSA-N 308.381 3.695 0 40 DHAB O=C(COC(=O)CCC1CCCC1)Nc1cccc(Cl)c1 3270415 WKAMUVKTSQZGNW-UHFFFAOYSA-N 309.793 3.792 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2Cl)c1 3524161 LWHUKHKPLGFPDY-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB CNc1nnc(SCc2ccccc2Br)s1 7102533 BUUVNHPQONVKDN-UHFFFAOYSA-N 316.249 3.635 0 40 DHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CCCCCC1 8394390 MTWBZTGWWOAIMD-UHFFFAOYSA-N 313.441 3.977 0 40 DHAB O=Cc1cn(Cc2cccnc2)c2ccc(Br)cc12 8702350 DCUYGRLPRDORDB-UHFFFAOYSA-N 315.170 3.660 0 40 DHAB CCCc1n[nH]c(SCC(=O)c2cc(C)n(CCC)c2C)n1 8705992 GXIHZZZUWVWZBM-UHFFFAOYSA-N 320.462 3.561 0 40 DHAB CC[C@@H](Sc1ccccc1NC(=O)C1CCCC1)C(=O)O 8732955 OXCMRCMPGLHPIQ-CYBMUJFWSA-N 307.415 3.771 0 40 DHAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccco3)ccc21 9136985 COJWIRUUYZAKAP-UHFFFAOYSA-N 312.369 3.611 0 40 DHAB COc1ccc(C)cc1CC(=O)Nc1cc(Cl)ccc1F 9478829 QAYCTIGVPSAQCD-UHFFFAOYSA-N 307.752 3.977 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CNc3ccccc3OC)cc2c1 12493202 XGBNDEPBYCHBKJ-UHFFFAOYSA-N 324.380 3.548 0 40 DHAB Cc1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C 12784313 BIAQGNUAEAJPGH-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB O=C(c1ccc(Cl)cc1)N1CCO[C@@H](c2ccccc2)C1 13011666 IYGFAANHOAXYFN-MRXNPFEDSA-N 301.773 3.554 0 40 DHAB CC(=O)N1CCc2cc(-c3nc(NC4CC4)sc3C)ccc21 14103464 VRZLKYWCNNRNTJ-UHFFFAOYSA-N 313.426 3.602 0 40 DHAB CC[C@H](CNC(=O)c1ccc(Br)o1)c1ccccc1 14242806 NTDVXWVEPDSWCI-LLVKDONJSA-N 322.202 3.966 0 40 DHAB Cc1ccc(-n2c(S)nnc2C(C)C)c(Br)c1 15109582 LBOCNNDSXLIKJN-UHFFFAOYSA-N 312.236 3.750 0 40 DHAB Cc1ccc([C@@H]2C[C@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 15866343 ILSSQILQWIOEHV-MSOLQXFVSA-N 319.412 3.745 0 40 DHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 17975735 PXDFAZCIQQJFGA-ROUUACIJSA-N 319.360 3.935 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1 20022235 REFUVYSZWDMGRD-UHFFFAOYSA-N 304.777 3.502 0 40 DHAB CCC[C@H](C)NC(=O)CCc1ccc(OCC)c(OCC)c1 20456751 CYSOUHACNFAPHB-AWEZNQCLSA-N 307.434 3.721 0 40 DHAB O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc(Cl)cc2)s1 22608997 CBQNKADAVZBHII-ZDUSSCGKSA-N 321.829 3.977 0 40 DHAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccc(F)cc2)n1 25015039 IUNDHMFYPPGCCS-UHFFFAOYSA-N 323.371 3.809 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)Nc2nc(C)c(C)s2)c(F)c1 32579467 LYCHMOCJOMBSMN-SNVBAGLBSA-N 307.394 3.647 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nccn1C1CC1 32876436 CSWKRNPLQQHBBL-UHFFFAOYSA-N 311.410 3.983 0 40 DHAB CCc1ccc([C@@H](C)Nc2ccccc2S(C)(=O)=O)cc1 35046748 XOQOSPQFVADGIS-CYBMUJFWSA-N 303.427 3.826 0 40 DHAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)[C@H](C)c2ccccc2)cc1 35142172 XYBKFVXSGNRBEL-RHSMWYFYSA-N 311.381 3.828 0 40 DHAB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1 44013761 MQNPAJVLFLUXIG-GXDHUFHOSA-N 310.328 3.770 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)NCc2cccs2)cc1C 47977261 BDLZLJZXMCZHNH-UHFFFAOYSA-N 317.414 3.727 0 40 DHAB Cc1nc(C(=O)Nc2cccc(-c3nccs3)c2)cs1 49313413 PJEMRLHTLCMLBA-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB O=C(OC/C=C/c1ccccc1)C1(c2ccccc2)CCOCC1 58765747 HCOPLQGEUICFLL-JXMROGBWSA-N 322.404 3.991 0 40 DHAB Cc1ccc(-c2noc(CNC(=S)Nc3ccccc3)n2)cc1 59294736 WNAIFRBBTLKSNG-UHFFFAOYSA-N 324.409 3.532 0 40 DHAB Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 72229798 HFEJVONJIPXYRD-UHFFFAOYSA-N 303.774 3.784 0 40 DHAB Cc1csc(-c2cccc(C(=O)Nc3c(C)n[nH]c3C)c2)n1 76018794 GSILUJFBMOQHRH-UHFFFAOYSA-N 312.398 3.711 0 40 DHAB O=C(c1ccnc2ccccc12)N1CC[C@H](Cc2ccccc2)C1 76507078 HCWBGHRROSKMKC-QGZVFWFLSA-N 316.404 3.940 0 40 DHAB O=C(NCc1ccc(-c2ccccc2)o1)[C@@H]1C[C@@H]1c1ccco1 84562703 OSSRJIQUNQOCDX-JKSUJKDBSA-N 307.349 3.960 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1 88085795 CRFHPMRNBHFOOB-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB Cc1nc(C[C@@H]2CCCN(Cc3ccc([C@@H]4C[C@@H]4C)o3)C2)no1 92814053 JZLDBZJEIAQDEB-DUVNUKRYSA-N 315.417 3.549 0 40 DHAB C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)CCCc2ccccn2)C1 95396325 DKTFZDJUOGKNNR-JFIYKMOQSA-N 300.446 3.832 0 40 DHAB CCO[C@@H](C)c1nc(CN(C)[C@@H](C)c2ccncc2)cs1 95404895 ZQHLQRRYGUGAFO-STQMWFEESA-N 305.447 3.829 0 40 DHAB COCCC(=O)N(c1ccc(F)c(Cl)c1)c1nccs1 95449785 NRDOHDBGHYVFOS-UHFFFAOYSA-N 314.769 3.637 0 40 DHAB c1cc(-n2cnc3ccccc32)nc(-n2cnc3ccccc32)c1 95830614 LVJJGIRQDSXHEU-UHFFFAOYSA-N 311.348 3.759 0 40 DHAB Cc1ccc2[nH]c([C@@H]3CCCN(Cc4c(C)noc4C)C3)nc2c1 95977345 YVQQKNZCUULKBI-OAHLLOKOSA-N 324.428 3.856 0 40 DHAB CCOC(=O)COc1ccc2occ(C(=O)c3ccccc3)c2c1 96184212 HPWVFCVCIXQKTR-UHFFFAOYSA-N 324.332 3.606 0 40 DHAB CN(C)[C@@H]1CCO[C@]2(CCN(Cc3cccc4ccccc34)C2)C1 96205892 NEIWPXCNNIFREW-TZIWHRDSSA-N 324.468 3.525 0 40 DHAB Cn1cc(CCC(=O)c2ccc3c(c2)OCO3)c2ccccc21 199736568 ILUHSCLLUIHUNY-UHFFFAOYSA-N 307.349 3.723 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCCCc2cccc(C)c2)cc1 218971611 DRFRMEDPWMXGNS-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB Cc1ccc(C)c(C(=O)NCCCN2c3ccccc3C[C@@H]2C)c1 223195720 ZEPMSFWCCIBHOD-KRWDZBQOSA-N 322.452 3.875 0 40 DHAB COc1ccc(CSCC(=O)NCC2=CCCCC2)cc1 223431500 YQNKSPVWIVHVMJ-UHFFFAOYSA-N 305.443 3.545 0 40 DHAB CC[C@@H](NC(=S)Nc1cccnc1)c1ccc(OC)cc1 225491108 VVBZFWWULQQTLL-OAHLLOKOSA-N 301.415 3.528 0 40 DHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225816094 KMCNUIZGXJFOQV-CQSZACIVSA-N 319.323 3.858 0 40 DHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 225855341 XNCBYRNEPISGLG-JTQLQIEISA-N 307.752 3.979 0 40 DHAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccsc1 252538305 MXEAEEMSHAVCAY-UHFFFAOYSA-N 300.408 3.802 0 40 DHAB O=C(CCc1cccs1)N1CCC[C@H](Cc2cccnc2)C1 257301822 SABHYYIHAZCJIZ-MRXNPFEDSA-N 314.454 3.557 0 40 DHAB Brc1ccc([C@H]2C[C@H]2CN2CCSCC2)cc1 575424330 ZFJMTEABFKBRAP-GXTWGEPZSA-N 312.276 3.601 0 40 DHAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 175938 LULTVVBYZIRMOJ-INIZCTEOSA-N 322.408 3.549 0 40 DHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 265227 RPWSVNLKEWXILJ-UHFFFAOYSA-N 324.163 3.652 0 40 DHAB O=C(NCCc1ccccc1)c1ccc(Nc2ccccc2)nc1 1340935 YYGYAPQKTCDOMI-UHFFFAOYSA-N 317.392 3.798 0 40 DHAB CCOc1ccc(N2C(=O)CN=C2Nc2cccc(C)c2C)cc1 1360528 ZDILXUXWLOKJCN-UHFFFAOYSA-N 323.396 3.517 0 40 DHAB CSc1nc(NCc2ccc(Cl)cc2)c2nc(C)[nH]c2n1 1845563 AQCHLBLDLQYHSE-UHFFFAOYSA-N 319.821 3.649 0 40 DHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccccc2)cc1 1981083 FWIRVBAPKSAUOB-NRMKIYEFSA-N 309.365 3.579 0 40 DHAB O=C(NCCc1ccccc1)c1cc2c(cn1)[nH]c1ccccc12 2123570 GISJKULBPFTPDV-UHFFFAOYSA-N 315.376 3.689 0 40 DHAB biogenic CCOC(=O)c1ccccc1C(=O)CCc1cccc(OC)c1 2516500 ACVPZIORZLCCMT-UHFFFAOYSA-N 312.365 3.687 0 40 DHAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc3ccccc13)C2=O 2660699 IOWSGUMNTHCMGS-JLTOFOAXSA-N 322.408 3.841 0 40 DHAB Cc1ccc(NC(=O)c2ccn(COc3ccccc3)n2)c(C)c1 2798369 UBCCTZWBYVRPSV-UHFFFAOYSA-N 321.380 3.789 0 40 DHAB COc1ccc(CCCC(=O)NCCc2ccccc2)c(C)c1 5127289 KPVPQEPQQHXZSA-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB Cc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1C 5401481 DVKRGNFVRJTGIH-UHFFFAOYSA-N 308.356 3.715 0 40 DHAB Cc1cccc(-c2noc(-c3ccccc3C(=O)NC(C)C)n2)c1 5577130 INFFULZMZHQXNK-UHFFFAOYSA-N 321.380 3.850 0 40 DHAB O=S(=O)(Cc1ccccc1)Nc1cccc(Cl)c1Cl 5603520 OVKUWLPTVUZCOO-UHFFFAOYSA-N 316.209 3.935 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1nc(Cl)ccc1Cl 6543301 OITAFIZCJMHXRJ-UHFFFAOYSA-N 315.587 3.972 0 40 DHAB O=C(Oc1ccc2c(c1)OCO2)c1cc2c(F)cccc2s1 7658719 OXVLBKXZWRAMLJ-UHFFFAOYSA-N 316.309 3.988 0 40 DHAB Fc1ccc(-n2ncc3c(Nc4cccc(F)c4)ncnc32)cc1 9532233 SGXSJNDDTIVHHU-UHFFFAOYSA-N 323.306 3.837 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)c(C)c1 9888517 YQFDQMGALQEFCI-UHFFFAOYSA-N 322.408 3.522 0 40 DHAB Cc1ccc(/N=c2\scc(-c3ccccc3)n2CCO)cc1 10187279 HILZEYDIJUOMPW-HNENSFHCSA-N 310.422 3.750 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1 12812729 WIPBJSLEJKQFIZ-INIZCTEOSA-N 319.408 3.623 0 40 DHAB Fc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 13127444 IFONQRWGEAJRGE-JKSUJKDBSA-N 312.323 3.703 0 40 DHAB CCOC(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 13629821 WHYIQHUTPUWFFS-MOPGFXCFSA-N 310.397 3.522 0 40 DHAB COc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1 13750138 CDHPITZHHSXQSW-PTNGSMBKSA-N 311.362 3.936 0 40 DHAB C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc2cccnc12 15835412 HJMWVLGARWQRCF-GFCCVEGCSA-N 310.328 3.780 0 40 DHAB Cc1ncsc1-c1nc(N(C)C)ncc1-c1ccc(F)cc1 19562356 DNOWGOVSOWYEEH-UHFFFAOYSA-N 314.389 3.781 0 40 DHAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 20456545 CYSQIKOQOBQLKT-IAGOWNOFSA-N 311.425 3.900 0 40 DHAB CC(=O)c1csc(NC(=O)CCc2ccccc2Cl)n1 26433368 BWNNLHVNNJXGPN-UHFFFAOYSA-N 308.790 3.570 0 40 DHAB CC[C@H](C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccccc1 29017638 ALQIYPNHLVYUBN-ZDUSSCGKSA-N 316.788 3.571 0 40 DHAB C[C@@H](NC(=O)NC1CCCC1)c1ccccc1Br 30982702 QMSHUWCKNPFIAL-SNVBAGLBSA-N 311.223 3.752 0 40 DHAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)C1CC1 32908649 PJJHFLKCOVUUON-UHFFFAOYSA-N 319.360 3.598 0 40 DHAB O=C(O)C[C@H]1CCc2c1[nH]c1c(Br)cc(F)cc21 35259139 UFDLKQSJWWUVOQ-ZCFIWIBFSA-N 312.138 3.574 0 40 DHAB CCc1ccc(CN(C)Cc2nc(O)c3sccc3n2)cc1 35301344 TUOYCYVKHDROLM-UHFFFAOYSA-N 313.426 3.591 0 40 DHAB COc1ccc(F)cc1C(=O)c1ccc(Br)cc1 37362443 PFPYMAHCCSQXJV-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB CCOC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 49466410 VPANHEBOFINTOL-UHFFFAOYSA-N 300.383 3.881 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)c1 51356745 AYGRDVJFWCHVKA-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)CCc2cc(F)ccc2F)on1 53088766 BHIYSRVEXAANDU-OAHLLOKOSA-N 320.339 3.558 0 40 DHAB COc1ccc2ccccc2c1CNCc1ccccc1CO 58163583 ITTPOYMGMCARKP-UHFFFAOYSA-N 307.393 3.631 0 40 DHAB CCN1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 58183608 GLRGOWZRTKIXGV-UHFFFAOYSA-N 316.232 3.553 0 40 DHAB O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccco1 58299436 YWBHZZOOUYGZKP-UHFFFAOYSA-N 312.300 3.536 0 40 DHAB CN(C)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)nc1 58406564 NGLFAIYAMRFNOW-UHFFFAOYSA-N 315.442 3.730 0 40 DHAB O=[N+]([O-])c1cc(OCc2ccccc2)ccc1Br 71617768 BPSNHIPXNKPDPA-UHFFFAOYSA-N 308.131 3.936 0 40 DHAB Cc1nnc(SC[C@H](O)c2ccc(C(F)(F)F)cc2)s1 71948556 PNFPPOOJKKBPGX-JTQLQIEISA-N 320.361 3.691 0 40 DHAB O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)c1ccccc1 72233725 AIHNUOAMIMLKCW-AWEZNQCLSA-N 321.298 3.679 0 40 DHAB Cc1cccc(C)c1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 75144376 XKMWXJGPVWUGOP-UHFFFAOYSA-N 322.408 3.792 0 40 DHAB CCO[C@H](C)c1nc(CN(CC)c2cccc(CO)c2)cs1 76725267 MOEJBHOCWLKYAB-CYBMUJFWSA-N 320.458 3.759 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCSc3ccccc32)c1C 89502449 KANPBJQTOAWFEJ-UHFFFAOYSA-N 314.410 3.587 0 40 DHAB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc(C(C)(C)C)cc1 95748932 BBLQLQNIDJOGBJ-ZDUSSCGKSA-N 307.390 3.635 0 40 DHAB CCNCc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1C 95971529 BQJFOGIYGGMQMJ-ROUUACIJSA-N 308.425 3.847 0 40 DHAB Cc1nc(C(C)C)c(C(=O)Nc2nc3c(s2)CCC3)s1 96230742 UGDZIFATXQRRKC-UHFFFAOYSA-N 307.444 3.772 0 40 DHAB CSCC(=O)Nc1ccc(OCc2sc(C)nc2C)cc1 96428859 VJYNNOQDAYVRBJ-UHFFFAOYSA-N 322.455 3.640 0 40 DHAB CC1(C)CCCN1C(=O)Nc1ccc(N2CCSCC2)cc1 96435220 CZZYSCWGWVMCJJ-UHFFFAOYSA-N 319.474 3.646 0 40 DHAB CCc1cccc(N(C#N)Cc2csc([C@@H](C)OC)n2)c1 96466038 LXKJAEIRVRSNGZ-GFCCVEGCSA-N 301.415 3.901 0 40 DHAB Cc1cccc(OCCNC(=O)c2ccc3c(c2)CCCC3)c1C 223973733 VLYWIJZERJDDDU-UHFFFAOYSA-N 323.436 3.991 0 40 DHAB COc1cccc(NC(=O)NCCOc2cc(C)ccc2C)c1 224053318 LQWHQUICXUNWPL-UHFFFAOYSA-N 314.385 3.513 0 40 DHAB CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)N[C@H](C)CC 225490972 VTVLMQCEQYBMCG-WBVHZDCISA-N 318.461 3.509 0 40 DHAB CCCO[C@@]1(C(=O)Nc2cnc(OC)c(C)c2)CCC[C@@H](C)C1 225911348 FYGBOQABAFRGAP-ACJLOTCBSA-N 320.433 3.713 0 40 DHAB O=C(Nc1ccc2ncccc2c1)c1ccnc(OCC2CC2)c1 253394102 AFMMRFQNJBMAAT-UHFFFAOYSA-N 319.364 3.671 0 40 DHAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)C1(c2ccccc2)CC1 257237213 HFPCAKXFTSMHIW-MRXNPFEDSA-N 309.413 3.504 0 40 DHAB CC[C@H]1C[C@@H](CC(=O)Nc2ccccc2-c2ncco2)CCO1 585126247 UDHIWHCTQMBIGH-KBPBESRZSA-N 314.385 3.875 0 40 DHAB Cc1noc(C)c1C(=O)NCc1cc(-c2ccco2)cs1 1775967979 HXHQGVSJBJJXSE-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(Cl)cc1 288016 JVAOJKDNOFJAQN-NTEUORMPSA-N 301.704 3.824 0 40 DHAB CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 367772 VWSMSCNGEPAHSW-UHFFFAOYSA-N 319.744 3.689 0 40 DHAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(C)cc2c1=O 1391216 QRWWAODFWQHGJX-UHFFFAOYSA-N 308.333 3.945 0 40 DHAB CCSc1nc2c(c(=O)[nH]1)[C@](C)(CC)Cc1ccccc1-2 1407709 QHAUJVXCIDPJRV-QGZVFWFLSA-N 300.427 3.773 0 40 DHAB COc1ccccc1C[C@H](C)N[C@H](C)Cc1ccccc1OC 1648450 SKVZMKWCURTNKK-IYBDPMFKSA-N 313.441 3.856 0 40 DHAB in-man COP(=O)(OC)[C@H]1c2ccccc2-c2cccc(C(=O)O)c21 1688051 POYGDCBIKDWMDF-HNNXBMFYSA-N 318.265 3.941 0 40 DHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)c1 3231705 XRANWTDELIBEEO-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2)cc1C 3353987 QULYWGYBMOSTGJ-MDZDMXLPSA-N 315.394 3.885 0 40 DHAB Cc1ccsc1C(=O)OCC(=O)Nc1cccc(Cl)c1 3384291 FBXXFZIWZKBMPM-UHFFFAOYSA-N 309.774 3.505 0 40 DHAB c1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)nc1 4271874 CEGUSOAERMVWDE-UHFFFAOYSA-N 323.377 3.560 0 40 DHAB CCCCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 4580286 MSJWYZQCPMCPAS-UHFFFAOYSA-N 306.822 3.632 0 40 DHAB COc1ccc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)nn1 4939959 OMVNAEGPJHZRLG-UHFFFAOYSA-N 319.364 3.713 0 40 DHAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2cccs2)c1 6844599 WBCGZHIXCOSLHL-NSHDSACASA-N 309.818 3.794 0 40 DHAB Cc1ccc(OCCn2c(=O)oc3cc(Cl)ccc32)cc1 7866663 MLLWCKLDVCXQPZ-UHFFFAOYSA-N 303.745 3.635 0 40 DHAB Cc1ccc(CN(C)C(=O)c2c3c(nc4ccccc24)CCC3)o1 7990563 BDYMMHHNTHXHEV-UHFFFAOYSA-N 320.392 3.897 0 40 DHAB COc1ccccc1[C@@H]1CC(=O)c2cnn(-c3ccccc3)c2C1 8570258 ZYIDAJFNBIJVHF-AWEZNQCLSA-N 318.376 3.794 0 40 DHAB COCc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 8704024 QTWQLWQMNLODMH-UHFFFAOYSA-N 324.424 3.681 0 40 DHAB COc1ccc2cc([C@H](C)C(=O)NCc3ccco3)ccc2c1 9752658 AOMUBZSCQJHVKH-ZDUSSCGKSA-N 309.365 3.861 0 40 DHAB O=C(Nc1nnc(Cc2cccs2)o1)c1ccc(Cl)cc1 11694625 TYRJIXOKUTYZEF-UHFFFAOYSA-N 319.773 3.628 0 40 DHAB CONC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 11740020 GXZLZODTBSTTFO-UHFFFAOYSA-N 306.365 3.810 0 40 DHAB COc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 12560107 FPAWYDATORDDOP-QGZVFWFLSA-N 321.380 3.549 0 40 DHAB CCOc1cc2c(cc1NC(=O)C[C@@H]1C=CCC1)O[C@@H](C)C2 13022863 WQUSJJGPZRPMTD-QWHCGFSZSA-N 301.386 3.704 0 40 DHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 13649428 NBLKCPVVNTZYIV-LBPRGKRZSA-N 319.788 3.546 0 40 DHAB O=C1NC(=O)c2ccccc2/C1=C\Nc1cccc2ccccc12 16718974 MTSBOPWMEAMOFF-SFQUDFHCSA-N 314.344 3.563 0 40 DHAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3)cc21 17247861 IIMRFINCGMLFHC-UHFFFAOYSA-N 308.381 3.628 0 40 DHAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccco1)C(=O)O3 19134690 NZGZPNNXGMIPIG-UHFFFAOYSA-N 308.337 3.959 0 40 DHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1 24817153 ZFZFBYCJBWHINJ-CQSZACIVSA-N 314.816 3.596 0 40 DHAB Cc1c(C(=O)N2CCC(C)CC2)cnn1-c1ccc(Cl)cc1 24926606 IOPOYGINYYKEDF-UHFFFAOYSA-N 317.820 3.706 0 40 DHAB CCc1ccccc1NCc1cc(=O)n2cc(Cl)ccc2n1 25607730 RVIORAGVNOJWGC-UHFFFAOYSA-N 313.788 3.522 0 40 DHAB Cc1ccc(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1 28192975 WQHCPTFROBJGEY-AWNIVKPZSA-N 320.392 3.539 0 40 DHAB O=C(NCc1cc(F)cc(F)c1)c1ccccc1C(F)(F)F 30499167 INDZATPUJOTPOM-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB COc1ccc(F)cc1C(=O)Nc1ccc(N2CCCC2)cc1 31303153 WNMREWCKZWTMFT-UHFFFAOYSA-N 314.360 3.687 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(Cl)s1 32817601 YQAHBZWAMAUIAH-SSDOTTSWSA-N 301.198 3.941 0 40 DHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCCc2ncccc21 32882846 RPJODHGUDIAMIX-UHFFFAOYSA-N 320.314 3.622 0 40 DHAB CCOc1ccccc1C(=O)Nc1cccc(-c2nc(C)no2)c1 33012779 DAHLNMMZFHGRIL-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB COc1ccc(CN(C)Cc2cc(Cl)c3c(c2)OCO3)cc1 40013587 XKOCCZIFVWCARX-UHFFFAOYSA-N 319.788 3.709 0 40 DHAB COc1ccc2c(C)c(C(=O)Nc3ccc4cn[nH]c4c3)oc2c1 42383664 XJSKLCDBCRWORT-UHFFFAOYSA-N 321.336 3.878 0 40 DHAB CN(C)[C@H](CNC(=O)Nc1cccs1)c1ccccc1Cl 44225517 SAGUQBKZHARUEI-CYBMUJFWSA-N 323.849 3.826 0 40 DHAB CCN1CCC[C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 48769186 WBRWGWKZGUGRLC-LLVKDONJSA-N 316.232 3.599 0 40 DHAB CC(C)c1ccc([C@H](C)NCc2nc3ccccc3c(=O)[nH]2)cc1 49605838 PERCNWRHCWKPRC-AWEZNQCLSA-N 321.424 3.897 0 40 DHAB Cc1noc(C)c1NC(=O)c1cc(F)c(Cl)cc1Cl 58331769 ZCGYWOHGUBBOGD-UHFFFAOYSA-N 303.120 3.990 0 40 DHAB O=S(=O)(Cc1ccccc1F)Cc1c(F)cccc1Cl 69417800 PFABVYAXQQAFJK-UHFFFAOYSA-N 316.756 3.733 0 40 DHAB COc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1OC 71862345 KRNGAUBNZKVZEZ-UHFFFAOYSA-N 317.410 3.570 0 40 DHAB Cn1cnnc1SCc1cc(Br)ccc1Cl 71902828 CKLITKRXNDZPBB-UHFFFAOYSA-N 318.627 3.523 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCCC2)nc1 72215919 YTIZJQAJWYOMSL-OAHLLOKOSA-N 317.433 3.754 0 40 DHAB Cc1cccc(N(C)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 72288135 UVGIXIYQQLTKAU-VXGBXAGGSA-N 300.324 3.722 0 40 DHAB Cc1cnc2[nH]c(C(C)C)c(CN3C[C@@H](C)O[C@H](C)C3)c2c1 72395263 VMCZPRQLNYTVSC-ZIAGYGMSSA-N 301.434 3.604 0 40 DHAB CCc1cccc2cc3c(nc12)OC(=O)N(Cc1ccco1)C3 72396346 UMOKQAJQMSZDIG-UHFFFAOYSA-N 308.337 3.905 0 40 DHAB CC[C@@](C)(NCc1nc(-c2ccco2)no1)c1nc(C)cs1 72863916 GPRNHUGQHDJAPD-OAHLLOKOSA-N 318.402 3.510 0 40 DHAB Cc1ccc(NC(=O)c2c(C)c3ccccc3oc2=O)cc1C 75105307 LGHOILXYXPPFOW-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB O=C(NCc1ccncc1)N[C@H](c1ccc(F)cc1)C1CCC1 75127698 IKKZCJQLSMMOIO-KRWDZBQOSA-N 313.376 3.561 0 40 DHAB CCc1ccc([C@H]2CCCCCN2C(=O)c2cnc(C)cn2)o1 78850092 OBJDRGLAVYFPHY-MRXNPFEDSA-N 313.401 3.698 0 40 DHAB CCN(Cc1ccc(Cl)s1)C(=O)c1cnc2ccccn12 79110261 YDHMWBXIAHWZES-UHFFFAOYSA-N 319.817 3.712 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2O)cc1Br 80063713 OAOWADLYDWERQN-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NCCCCn1ccnc1 89857755 SXRBAHOSQLLZNU-QGZVFWFLSA-N 311.429 3.699 0 40 DHAB C[C@@H]1C[C@@H](Nc2ccc(OCc3ccco3)c(Cl)c2)C(=O)O1 95395933 FFMRXFYGNQTBRU-QMTHXVAHSA-N 321.760 3.628 0 40 DHAB Cc1nnc(CCCSc2nc3cc(Cl)ccc3o2)o1 95453232 BOYNLLSJEIQHDE-UHFFFAOYSA-N 309.778 3.898 0 40 DHAB C[C@@H](N[C@@H]1COc2ccccc2C1)c1occc1Br 95967518 SPGGGQJUHNQYGV-PWSUYJOCSA-N 322.202 3.696 0 40 DHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccccc1 96221664 LAHDQCQHNXEAQX-SFHVURJKSA-N 320.392 3.984 0 40 DHAB biogenic CNC(=O)Cc1nc(CS[C@@H](C)c2ccc(F)cc2)cs1 96450937 BCWFKQQDFAFANX-JTQLQIEISA-N 324.446 3.565 0 40 DHAB COc1ccc(OC)c(CC(=O)N(C)[C@H](C)c2cccs2)c1 96989826 LIRCJJWAUFJRMP-GFCCVEGCSA-N 319.426 3.527 0 40 DHAB CC[C@H](c1ccc(F)cc1F)[S@](=O)Cc1nc(C)c(C)o1 97083630 JETVRKNUSUADIL-SZNDQCEHSA-N 313.369 3.970 0 40 DHAB CC(C)(C)O[C@H](C(=O)N1CCc2cnccc21)c1ccccc1 97084710 NMSBASBILAHOFS-KRWDZBQOSA-N 310.397 3.527 0 40 DHAB Fc1ccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2Cc2ccncc2)cc1 100113084 VQWMKTDYCZUVSX-SZVBFZGTSA-N 312.388 3.653 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCc1cc(-c2ccco2)on1 104867200 QQWVIUPLVDFDNP-RWMBFGLXSA-N 301.342 3.804 0 40 DHAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3F)nc2c1 216921618 HPXSAIMUGFXXTI-UHFFFAOYSA-N 304.708 3.809 0 40 DHAB CC[C@@H](C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C 223199780 UDTFZQBMRDBRMO-AWEZNQCLSA-N 303.402 3.649 0 40 DHAB NC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 226322047 WUWVFKRKTGZRCU-UHFFFAOYSA-N 314.143 3.810 0 40 DHAB COc1cc(N)cc(Br)c1N1CCc2ccccc21 252481968 CWBPPRDYCPIZNJ-UHFFFAOYSA-N 319.202 3.734 0 40 DHAB CC(C)c1cc(NCc2nnc(C(C)C)n2C)nc(C(C)C)n1 272571759 UBFSXPRTYHZOAI-UHFFFAOYSA-N 316.453 3.587 0 40 DHAB COc1ccc(C(=S)NCc2ccccc2Cl)c(OC)c1 408577232 RYUIXVUYWYHLAZ-UHFFFAOYSA-N 321.829 3.823 0 40 DHAB CC[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nc(C)no3)cc2)C1 585082370 JSYJRMVCLTYJAE-OCCSQVGLSA-N 313.401 3.696 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)c2ccccc2)C1 1888941690 VTMNVPUKJHBHSB-UHFFFAOYSA-N 319.408 3.857 0 40 DHAB c1ccc(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 250336 DBJGRJGQBVJKIT-HNNXBMFYSA-N 320.396 3.964 0 40 DHAB Cc1cccc(-c2nnc(NC(=O)c3ccc(F)cc3)s2)c1 294151 LVYUXRDYQLXAFF-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB O=C(COc1ccccc1)OCC(=O)c1ccc2ccccc2c1 384564 VDRZKMRGZCQSHB-UHFFFAOYSA-N 320.344 3.645 0 40 DHAB CSc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 571894 VNYAQTJPAAJFIA-UHFFFAOYSA-N 307.440 3.826 0 40 DHAB COc1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)cc1 579701 PKCXWCOAMNYLCD-UHFFFAOYSA-N 324.207 3.975 0 40 DHAB COc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1 1616587 GMXSJYMZSFKIPF-UHFFFAOYSA-N 324.332 3.784 0 40 DHAB CC(C)CN(CC(C)C)C(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 4197557 HNHQJGPQHLCTSC-MOPGFXCFSA-N 307.478 3.913 0 40 DHAB CC(C)C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 4681395 PPXGYJDEMYJKAV-CQSZACIVSA-N 310.397 3.772 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 5440029 WIQGIXUFZMIEHO-UHFFFAOYSA-N 322.408 3.991 0 40 DHAB Cc1nc2ccccc2c(=O)n1-c1ccc(N2CCCCC2)cc1 5659875 SKKFNBOIMWTLDO-UHFFFAOYSA-N 319.408 3.684 0 40 DHAB Cc1ccc(C[S@@](=O)c2nc(Cl)c3c(n2)CCCC3)cc1 5738551 OHOMOVURKZFFQL-NRFANRHFSA-N 320.845 3.625 0 40 DHAB CCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OC 6779076 HRFOXWCRGSKMEY-UHFFFAOYSA-N 315.369 3.745 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1COc2ccccc2C1 8113088 OBRKRLHOJVCJMK-GFCCVEGCSA-N 321.298 3.895 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)NCCc1ccc(F)cc1 8265146 LEVXVLMWWVXVRP-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB CCCC(=O)Nc1ccc(NC(=O)c2cccnc2Cl)cc1 9141838 XRNLHJYIQUYRKH-UHFFFAOYSA-N 317.776 3.726 0 40 DHAB CCc1ccc(/C=C2\NC(=S)N(c3ccccc3C)C2=O)cc1 9188236 HQIBWWNVDSWBOG-VBKFSLOCSA-N 322.433 3.820 0 40 DHAB O=C(CCc1nc2ccccc2s1)NCCc1cccs1 9455387 JAJIQAWEUBVXLC-UHFFFAOYSA-N 316.451 3.649 0 40 DHAB CCC1(CC)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 10109503 NPKYYSLWAIXUPF-UHFFFAOYSA-N 322.408 3.964 0 40 DHAB O=C(NCCCn1ccc2ccccc21)c1ccc[nH]c1=S 10470002 UXBLUFVSKXIVEB-UHFFFAOYSA-N 311.410 3.519 0 40 DHAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCCCCC1 12391713 HJTLWRQLRDYNAV-OAHLLOKOSA-N 306.793 3.823 0 40 DHAB CCCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 12811429 RKGAUVVNXCNMTM-UHFFFAOYSA-N 318.760 3.554 0 40 DHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Cl)cc1 13676705 PKGKFLFAWPMLAH-GFCCVEGCSA-N 321.829 3.621 0 40 DHAB Cc1occc1-c1nnc2sc(-c3c[nH]c4ccccc34)nn12 13734383 XDEOEHHMFZIBRH-UHFFFAOYSA-N 321.365 3.903 0 40 DHAB CN(CCOc1cccc(Cl)c1)c1ncnc2sccc12 15141708 GJQNNIFLRDEEOH-UHFFFAOYSA-N 319.817 3.860 0 40 DHAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2cccnc2)c1 19565989 XAGFKPXRNZMYRL-FUHIMQAGSA-N 324.424 3.522 0 40 DHAB CCCCOC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1 20411454 DLVCGGUYGUVTOJ-UHFFFAOYSA-N 320.414 3.848 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1ccc2nsnc2c1 21096759 KCRLELQGAYVRPB-UHFFFAOYSA-N 319.773 3.606 0 40 DHAB O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 25238755 NDKCIQMEVPXAKO-OLZOCXBDSA-N 300.324 3.607 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2F)cc1 32610619 SYEUEIFMQDVBPY-SNVBAGLBSA-N 306.312 3.856 0 40 DHAB Cc1cc(NC(=O)c2ccoc2)c(C)cc1NC(=O)c1ccoc1 32841361 DOYFIKRVLZLQPD-UHFFFAOYSA-N 324.336 3.994 0 40 DHAB Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)s1 32848194 VUJGYJUHTKKUTL-UHFFFAOYSA-N 309.774 3.733 0 40 DHAB CC(=O)c1cc2c(cc1NC(=O)CCC1CCCCC1)OCO2 32994770 JEJTUKBBRJQINZ-UHFFFAOYSA-N 317.385 3.917 0 40 DHAB CC(C)(C(=O)NCc1ccccc1OC(F)F)c1ccccc1 40034657 FUGLNLUHLCXJGD-UHFFFAOYSA-N 319.351 3.882 0 40 DHAB O=C(c1cncc(Br)c1)N1CCC[C@H]1C1CCCC1 44352657 XJFNLLILPDJINK-AWEZNQCLSA-N 323.234 3.639 0 40 DHAB CCN(CC)c1ccc(NC(=O)N2CC[C@@H]2c2ccccc2)cn1 48172756 KAJQGWDKLDPIBF-QGZVFWFLSA-N 324.428 3.907 0 40 DHAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccnc1 58379920 JBUUADJJDLOYDB-UHFFFAOYSA-N 317.392 3.628 0 40 DHAB CCN(CC)c1ccc(NC(=O)N2CCCCCCC2)cn1 58381113 GBDJAINWIAXONP-UHFFFAOYSA-N 304.438 3.726 0 40 DHAB O[C@@H](Cc1ccccc1Cl)c1ccc(Br)o1 62137305 MQKOKWKYMCCCLW-JTQLQIEISA-N 301.567 3.972 0 40 DHAB in-vitro COc1cccc2cc(C(=O)Nc3cc(C)cc(C)c3)c(=N)oc12 67350781 DGOXQLZSXDSAIM-UHFFFAOYSA-N 322.364 3.790 0 40 DHAB CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc[nH]2)cc1 71820039 GMGMNFDTKXBKQV-UHFFFAOYSA-N 305.381 3.903 0 40 DHAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)c2c(C)nn(C)c2C)cc1 71844115 FJIDESXTJVLDPG-STQMWFEESA-N 313.445 3.580 0 40 DHAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cccc(Cl)c1 76056529 VONAIJUBCQOQJP-IIYDPXPESA-N 320.864 3.638 0 40 DHAB Cc1ccsc1-c1nnc(SCc2nnc(C(C)C)o2)o1 78605842 MJHKZQKWAHZENC-UHFFFAOYSA-N 322.415 3.905 0 40 DHAB CC(C)n1ncc2c(-c3ccsc3)c3sc(=O)[nH]c3nc21 79475470 KGJDIJLTAAMFCQ-UHFFFAOYSA-N 316.411 3.644 0 40 DHAB CCc1c(C(=O)N2C[C@H](C)c3ccccc32)[nH]c(C)c1C(C)=O 80082766 XDYHKBJCDHBNKM-NSHDSACASA-N 310.397 3.852 0 40 DHAB CCn1ccnc1CN1CCC[C@@H](c2nc(C(C)C)cs2)C1 83843619 LGIHXASDVURJGC-CQSZACIVSA-N 318.490 3.863 0 40 DHAB CC[C@H](C)Oc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C 95095426 WACWLENGESNBKY-DZGCQCFKSA-N 315.417 3.955 0 40 DHAB CC(C)(C)Oc1ccc2nc(=O)[nH]c(-c3ccccc3F)c2c1 95486401 DFQFWWPDDPTWHY-UHFFFAOYSA-N 312.344 3.907 0 40 DHAB CCN(CCO)[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 95934895 KFDOEMHLULHRKQ-QGZVFWFLSA-N 317.816 3.578 0 40 DHAB C[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccsc1 97234240 LATNOJOFZRWJLS-WFASDCNBSA-N 318.446 3.512 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1cnc(C(C)C)nc1C 222572643 INCVZHAUULTKRF-UHFFFAOYSA-N 319.792 3.823 0 40 DHAB O=C(Cc1ccc(Cl)cc1F)NCCSc1ccccc1 223083926 DZIWWUIBOCVUBO-UHFFFAOYSA-N 323.820 3.930 0 40 DHAB C[C@@H](CNC(=O)CCc1nc2ccccc2o1)c1ccccc1 224948407 ZSTOCFUSLALIDP-AWEZNQCLSA-N 308.381 3.680 0 40 DHAB COc1ccc(CCC(=O)NCCCc2ccccc2)cc1C 225285921 MWGGSKWXQJVWAC-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB Cc1csc(C(=O)N2CCC[C@H]2CCc2ccncc2)c1 257324326 WOEFOBCCYXYLTE-HNNXBMFYSA-N 300.427 3.689 0 40 DHAB CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 409030471 FVGABFGKZUYYFD-LGMDPLHJSA-N 322.433 3.853 0 40 DHAB Cc1ccccc1NC(=O)NCc1nccnc1-c1cccs1 575619976 IKJGKQZFDUKQPY-UHFFFAOYSA-N 324.409 3.835 0 40 DHAB Cc1noc(C)c1C[C@H](C)NC(=O)OCc1ccc(Cl)cc1 583651250 HWNCMFMVHLJJGG-JTQLQIEISA-N 322.792 3.802 0 40 DHAB Cc1cnccc1OCC1CCN(c2ccncc2Cl)CC1 1889108038 JJGUGJCVFJYPCZ-UHFFFAOYSA-N 317.820 3.734 0 40 DHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccccc1 72796 XHPQLCFYRGYKAK-UHFFFAOYSA-N 321.332 3.690 0 40 DHAB Cc1ccc(NC(=O)[C@]23CC[C@](C)([C@H](O)C2)C3(C)C)cc1C 1020477 NBKTZKPRHJRMLH-LZQZEXGQSA-N 301.430 3.819 0 40 DHAB Nc1c(-c2ccc(F)cc2)cnc2c(-c3ccc(F)cc3)cnn12 1390355 FGQNIMXNYLNPQR-UHFFFAOYSA-N 322.318 3.924 0 40 DHAB CCc1ccc(S(=O)(=O)Oc2cccc3cccnc23)cc1 3076003 HBNWYJQXIWGAFU-UHFFFAOYSA-N 313.378 3.565 0 40 DHAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](/C=C/c2ccccc2)N1 3173563 NYBRWZYJSBALAQ-WFJXPABVSA-N 318.376 3.521 0 40 DHAB O=C(COc1cc(Cl)ccc1Cl)NC1CCCCC1 3469468 BKUMDUVKHABHDA-UHFFFAOYSA-N 302.201 3.821 0 40 DHAB Cc1cc2cc(CNC(=O)[C@@H](C)Oc3ccccc3)ccc2n1C 4061547 OTWHUQHQHKWLSZ-OAHLLOKOSA-N 322.408 3.570 0 40 DHAB CCN(CC)c1nc(Nc2ccc(C)cc2C)c2cnn(C)c2n1 4272736 WJNSSEWGHPQKFO-UHFFFAOYSA-N 324.432 3.570 0 40 DHAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(C(F)(F)F)cc1 4864744 QKVFDWJBZZKCGH-UHFFFAOYSA-N 305.259 3.834 0 40 DHAB CCc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1 5021763 MIPUJUOZSJAWKF-SSZFMOIBSA-N 302.377 3.903 0 40 DHAB CC[C@@H](C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 5254781 RPTNPRGIWVXONY-HQJQHLMTSA-N 319.188 3.614 0 40 DHAB O=C(Cc1c(Cl)cccc1Cl)NCc1cccs1 5617292 DGFXWWXJBUUJGZ-UHFFFAOYSA-N 300.210 3.914 0 40 DHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccccc1F 6249698 KAWJJQGKIUZFCN-UHFFFAOYSA-N 312.266 3.895 0 40 DHAB CCN(CC)[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 6384803 WYAXGUFTMAEDMR-SFHVURJKSA-N 309.409 3.853 0 40 DHAB Cc1ccc(CNC(=O)Cc2csc(-c3ccccc3)n2)cc1 6507576 PQAFYDDNQWTRFJ-UHFFFAOYSA-N 322.433 3.977 0 40 DHAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1cccnc1 6896384 GSJPJDRUSWNREX-HNNXBMFYSA-N 304.802 3.509 0 40 DHAB O=C(Oc1ccc2c(c1)OCO2)C1(c2ccc(Cl)cc2)CC1 6948439 NWOSYMNUKRNVJX-UHFFFAOYSA-N 316.740 3.706 0 40 DHAB O=C(CCc1nc(-c2ccccc2)no1)NC1CCCCCC1 7002658 ADMGSQRNUALVBO-UHFFFAOYSA-N 313.401 3.508 0 40 DHAB COc1ccc(Nc2nc3cc(C)nn3c3ccccc23)cc1 7717233 TZZFBQMEEIULBH-UHFFFAOYSA-N 304.353 3.943 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccc(OC[C@H]2CCCO2)cc1 8160429 GTOWYVCHNTWWIF-BNOPAZPUSA-N 323.392 3.896 0 40 DHAB c1ccc(-c2noc(CSc3ncnc4ccccc34)n2)cc1 8190638 QNYBWKHGEHDLKT-UHFFFAOYSA-N 320.377 3.972 0 40 DHAB O=C(CCc1ccccc1)NCc1ccc(CN2CCCC2)cc1 8406319 UBJGIGCSENEBOE-UHFFFAOYSA-N 322.452 3.531 0 40 DHAB Cc1ccc(C)c(CC(=O)Nc2nnc(-c3ccccc3)o2)c1 10701259 APEAMXOIQLPFSK-UHFFFAOYSA-N 307.353 3.535 0 40 DHAB CCCCc1nnc2sc(/C=C/c3ccccc3OC)nn12 11278325 IROCDSODGWREMM-ZHACJKMWSA-N 314.414 3.707 0 40 DHAB c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc1 12534453 YJLMHUBBYHISAU-UHFFFAOYSA-N 319.408 3.664 0 40 DHAB Cc1ccccc1CN(C)CCC(=O)N[C@H](C)c1ccccc1 12754062 NGAAALDUKMJIGP-QGZVFWFLSA-N 310.441 3.694 0 40 DHAB COc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1 12768232 WUWXOMOXBBGOBL-UHFFFAOYSA-N 322.389 3.980 0 40 DHAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=S)NCc2ccccc2)C1 16578050 MGDNADWLORGFGA-CRAIPNDOSA-N 302.487 3.962 0 40 DHAB Cc1[nH]c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2c1C 17303620 CGBHSIYIRIVKOD-UHFFFAOYSA-N 304.353 3.913 0 40 DHAB CCCc1nnc(SCC(=O)c2ccc(C)cc2)n1CC 20033702 XPYLBSKNWRJMHO-UHFFFAOYSA-N 303.431 3.534 0 40 DHAB Cc1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)o1 27920569 VAEIXYNJMOGQAZ-UHFFFAOYSA-N 313.332 3.533 0 40 DHAB CSc1ccccc1C(=O)Nc1cccc(-c2nnco2)c1 30584615 NHPLLTMNYGBYSX-UHFFFAOYSA-N 311.366 3.711 0 40 DHAB COc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1F 31775317 WSHJSGZOMOIRED-UHFFFAOYSA-N 303.333 3.874 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)/C=C/c1cnc2ccccc2n1 33235251 UGGBBVUCZHMEEG-WTNCMQEWSA-N 323.421 3.924 0 40 DHAB Fc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 37302748 WXUKSNFPZASATQ-UHFFFAOYSA-N 307.752 3.540 0 40 DHAB O=C(NCCC1=CCCCC1)c1csc(-n2cccc2)n1 38679068 FOGJPHIYGMEJAY-UHFFFAOYSA-N 301.415 3.554 0 40 DHAB Cc1ccc(C(=O)NCc2cccc(Br)c2)cc1 42238971 VSVDEBRNYCVKRO-UHFFFAOYSA-N 304.187 3.688 0 40 DHAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc(F)c1 42672757 GNASLIIBYRFSMO-SNVBAGLBSA-N 300.358 3.926 0 40 DHAB COc1ccc(Nc2cc(N)nc(-c3ccccc3F)n2)cc1 49467858 FRKGMSDFJWMTKE-UHFFFAOYSA-N 310.332 3.617 0 40 DHAB O=Cc1cn(C(=O)COc2ccc(Cl)cc2)c2ccccc12 49928140 HWEDPRAMZBXKPR-UHFFFAOYSA-N 313.740 3.826 0 40 DHAB O=C(CCc1ccccc1)N(Cc1ccccc1)C[C@@H]1CCCO1 56148477 BVYOPXJZCLYZEE-FQEVSTJZSA-N 323.436 3.827 0 40 DHAB COCCn1cc(C(=O)Nc2ccc(OC)cc2)c2ccccc21 57419058 QIFWGTOFPVBKSV-UHFFFAOYSA-N 324.380 3.549 0 40 DHAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2CN(C)C)C1(C)C 58086863 IZNOMXSITZRZIS-ZWKOTPCHSA-N 314.473 3.603 0 40 DHAB O=C(c1cnccn1)N1CC=C(c2cccc3ccccc23)CC1 58224418 ATESWKOCYKIYEE-UHFFFAOYSA-N 315.376 3.559 0 40 DHAB Cc1ccc(-c2noc([C@@H](C)Sc3nccn3C)n2)cc1F 58573186 PIWCLVZCXHVHIX-SNVBAGLBSA-N 318.377 3.771 0 40 DHAB O=C(COc1ccccc1)N1CCSc2ccc(Cl)cc21 58714866 WTSOTLNGTBXSJJ-UHFFFAOYSA-N 319.813 3.858 0 40 DHAB O=C(OCCn1cccn1)C1(c2cccc(Cl)c2)CCCC1 62277652 TWXPAUCYDRDLCN-UHFFFAOYSA-N 318.804 3.592 0 40 DHAB CN(C[C@@H]1CCCO1)C(=S)Nc1ccc2ccccc2c1 66006398 VUEMCOKOSDDMHN-INIZCTEOSA-N 300.427 3.647 0 40 DHAB COc1ccc(-c2cnc(CN3CCn4cccc4[C@H]3C)o2)cc1 68474048 FMOMSQRELPBARY-CQSZACIVSA-N 323.396 3.729 0 40 DHAB Cc1ccsc1-c1nnc(SCc2noc(C3CC3)n2)o1 69560649 SXLZBZXATMVCHA-UHFFFAOYSA-N 320.399 3.659 0 40 DHAB CCc1nc(CN(C)C(=O)C(C)(C)c2ccc(F)cc2)cs1 69618859 XTNDVDNRNBXBOP-UHFFFAOYSA-N 320.433 3.781 0 40 DHAB O=C(NC[C@@H](O)c1cccc2ccccc12)Nc1cccs1 70636271 NBHQZXXBYWUJJF-OAHLLOKOSA-N 312.394 3.756 0 40 DHAB O=C(CSc1nncc2ccccc12)N1CCCCCCC1 74000947 RVSKBHFSVHFICR-UHFFFAOYSA-N 315.442 3.515 0 40 DHAB CCOc1ccc(NC(=O)N[C@@H](C)c2nccs2)cc1C 75133465 LZDJJHFFJRLTFQ-NSHDSACASA-N 305.403 3.733 0 40 DHAB CC(C)c1nc([C@@H]2CCCN2c2ncnc3sccc23)no1 75573022 XVDPLEUJDHVAHE-NSHDSACASA-N 315.402 3.539 0 40 DHAB CCN(CC)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 78762406 VXSOTIOANNLIEL-NRFANRHFSA-N 310.463 3.608 0 40 DHAB O=C(c1cccs1)N1CCC(CSc2ccccn2)CC1 85557531 AXADJHCSLPGUOJ-UHFFFAOYSA-N 318.467 3.788 0 40 DHAB Cc1nc2ccccc2n1CCCNc1nc2ccccc2n1C 89729968 BFRSATMMAATICB-UHFFFAOYSA-N 319.412 3.734 0 40 DHAB CC(C)c1cc(C(=O)Nc2c(F)cccc2NC2CC2)nn1C 89893337 MOKBJXYDVJNYOW-UHFFFAOYSA-N 316.380 3.509 0 40 DHAB C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc2cc[nH]c12 89894757 PUJHMSOUIZLPSX-LLVKDONJSA-N 312.394 3.621 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NCc2nc(C3CC3)cs2)c1 90459071 QXRLAHNBPFWNRD-NSHDSACASA-N 315.442 3.830 0 40 DHAB Cc1nc(CCN[C@H](C)Cc2nc3ccccc3s2)cs1 95419974 LYOIPXMFFXROGK-LLVKDONJSA-N 317.483 3.825 0 40 DHAB CC(C)(C)SCCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 95435998 LLGNAUAIHCXNHL-CQSZACIVSA-N 309.479 3.775 0 40 DHAB CC(C)(C)SCCCC(=O)N1CCCC[C@H]1c1cn[nH]c1 95435999 LLGNAUAIHCXNHL-AWEZNQCLSA-N 309.479 3.775 0 40 DHAB Cc1ccc(C)c(OCCn2ccnc2[C@@H](O)c2ccccc2)c1 95941614 SISUTILILLABQM-IBGZPJMESA-N 322.408 3.661 0 40 DHAB Cc1oncc1C(=O)N(CCc1cccs1)Cc1ccoc1 96026080 JKGZGXONUCHJPA-UHFFFAOYSA-N 316.382 3.523 0 40 DHAB CCS(=O)(=O)c1c[nH]nc1-c1ccc(-c2ccccc2)cc1 96510069 ZAIUGVBCXQEGPZ-UHFFFAOYSA-N 312.394 3.537 0 40 DHAB CCn1c(NCc2csc(COC)n2)nc2cc(C)ccc21 97141635 YCJAPSNPESYKIE-UHFFFAOYSA-N 316.430 3.580 0 40 DHAB Cc1ccc(C(=O)/N=c2\sc3cccc(C)c3n2C)c(C)c1 100884873 QDUBXBSVQFURQL-HNENSFHCSA-N 310.422 3.906 0 40 DHAB CC(=O)c1csc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1 106711996 FYCNRLQMHQFJPB-VIFPVBQESA-N 322.455 3.857 0 40 DHAB Cc1cc(NC(=O)c2ccccc2)cc(Br)c1O 216738953 SRISLNWTOICENZ-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB CCOC(=O)c1cc(-c2ccc(/C=C/C(=O)O)o2)ccc1Cl 216910294 SUFFNRJNVDTSIF-VMPITWQZSA-N 320.728 3.875 0 40 DHAB Cc1ccc(C)c(OCC(=O)NCCSC2CCCCC2)c1 218948813 VALABCROTLEGOY-UHFFFAOYSA-N 321.486 3.864 0 40 DHAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(O)cc1 222397266 SHVSGLOUQAYEIK-QPEQYQDCSA-N 305.255 3.904 0 40 DHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccccc1 222578071 AQLYGUBWRPGBEP-UHFFFAOYSA-N 321.355 3.521 0 40 DHAB CCc1ccccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 225039748 IQCKBVREUKBSPC-MRXNPFEDSA-N 304.773 3.977 0 40 DHAB COc1ccc(C[C@H](Oc2ccccc2C)C(=O)O)cc1Cl 225122371 IRKMVSUKBPUVLY-INIZCTEOSA-N 320.772 3.732 0 40 DHAB O=C(/C=C/c1cccs1)NCc1ccnc(-c2cccnc2)c1 225639361 YVXVIWNDLRVJBT-AATRIKPKSA-N 321.405 3.535 0 40 DHAB O=C(c1cccc(F)c1F)N1CCC[C@@H](Cc2nccs2)C1 257255820 KIZMGEQBASRXNN-NSHDSACASA-N 322.380 3.516 0 40 DHAB CCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(C)ccc21 408712921 BJJBVZSXUHGEKA-UHFFFAOYSA-N 324.355 3.721 0 40 DHAB Cc1ccc(COc2ccc(/C=C\C(N)=O)cc2Cl)cc1 409416177 BQURMAVMJFUQAD-CLFYSBASSA-N 301.773 3.726 0 40 DHAB CCCN(CC(C)C)C(=O)c1oc(Br)cc1C 514569902 NKJIGPUQMILZRX-UHFFFAOYSA-N 302.212 3.859 0 40 DHAB FC(F)c1cc2ccccc2nc1I 575629133 KCVFIQJDJUFISY-UHFFFAOYSA-N 305.065 3.777 0 40 DHAB CCOC(=O)c1nc(Nc2ccccc2C)c2ccccc2n1 145884 DMPODYBZWGHIMQ-UHFFFAOYSA-N 307.353 3.859 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc2C1 1480337 JMDGIHMTKLBRCZ-CYBMUJFWSA-N 315.800 3.692 0 40 DHAB Cc1ccc(OC/C=C/CS(=O)(=O)c2ccc(C)cc2)cc1 1578923 YMXTUPBUXNFVAL-ONEGZZNKSA-N 316.422 3.712 0 40 DHAB CC(C)C[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl 2065840 LWKXKKGXUQZNQO-SNVBAGLBSA-N 304.217 3.923 0 40 DHAB CCSc1ncccc1C(=O)Nc1cccc2cccnc12 2571055 PVSVXXZZMAYBLC-UHFFFAOYSA-N 309.394 3.994 0 40 DHAB O=C(NCc1ccccc1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 3059188 ULUJOCPTYZTMRJ-GJZGRUSLSA-N 320.219 3.890 0 40 DHAB CCO/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)c2ccccc21 3187786 ZCGZWZZYXDZJGL-SFQUDFHCSA-N 321.376 3.868 0 40 DHAB O=C(CCC(=O)c1cccs1)Nc1nc2ccccc2s1 3284547 NPKIECSJQMVBNE-UHFFFAOYSA-N 316.407 3.959 0 40 DHAB CC(C)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 3329653 LYLBHDVRDSIMEK-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB O=c1nc(SCc2cccc3ccccc23)c2c([nH]1)CCC2 5154269 XMHJWMVNUBGBKO-UHFFFAOYSA-N 308.406 3.704 0 40 DHAB CC(C)c1ccc(CN(C)Cn2c(=O)oc3ccccc32)cc1 7091833 KHBALPLTEBQPJK-UHFFFAOYSA-N 310.397 3.807 0 40 DHAB CN(CC(=O)NCc1ccccc1)Cc1ccc2ccccc2c1 8127430 GDYCFJNWYMSMGS-UHFFFAOYSA-N 318.420 3.588 0 40 DHAB O=C1N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)Nc2ccccc21 8135385 CWTCNQGDRRRIPY-MRXNPFEDSA-N 324.771 3.584 0 40 DHAB C[C@@]12CCC(=O)O[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 8242437 QTBANSSXVTZHMD-ZFVBVUAESA-N 306.446 3.686 0 40 DHAB O=C(Cc1csc(-c2cccs2)n1)NC1CCCCC1 8315936 DHKJGKBRCHXSEC-UHFFFAOYSA-N 306.456 3.863 0 40 DHAB Cc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)o1 8586588 SMDXMQMPDVGONE-UHFFFAOYSA-N 310.328 3.969 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)s1 9062217 VIAZPSMETFTFNB-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB COc1cccc(NC(=O)CCSCc2csc(C)n2)c1 9065771 OCCGZMBJDOTZGN-UHFFFAOYSA-N 322.455 3.722 0 40 DHAB COc1ccc(CNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cc1 9909037 YZIQOIZYJLIHKT-GUYCJALGSA-N 313.397 3.661 0 40 DHAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1ccc(F)cc1 12560136 AORJKZBMFUCPOD-INIZCTEOSA-N 309.344 3.679 0 40 DHAB COc1cccc2sc(NC(=O)Cc3ccsc3)nc12 12692732 QIZFHUVFZNHVAH-UHFFFAOYSA-N 304.396 3.548 0 40 DHAB Cc1cc(C)cc(OCCCn2cnc3ccsc3c2=O)c1 12747376 JDRSGICZZIDFGF-UHFFFAOYSA-N 314.410 3.544 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 12784161 LRQRAQOUPKTIII-MRXNPFEDSA-N 319.408 3.980 0 40 DHAB COc1ccc(NC(=O)c2ccc(F)cc2)cc1OC(F)F 12971814 ZESBIDZBWNHUPZ-UHFFFAOYSA-N 311.259 3.688 0 40 DHAB Cc1ncc([C@@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1 13281785 XZNGXZNLEGMKLC-SFHVURJKSA-N 312.800 3.975 0 40 DHAB Cc1cc(NC(=O)c2nc3ccccc3s2)n(C(C)C)n1 13656883 DTYNXKFVQQEISY-UHFFFAOYSA-N 300.387 3.634 0 40 DHAB CCCc1ncc(CN(Cc2ccccn2)Cc2ccco2)cn1 13990618 YEHXFHNJCFOBNC-UHFFFAOYSA-N 322.412 3.620 0 40 DHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCC1CCCC1 14184687 GWZSXPYKYMGJSO-UHFFFAOYSA-N 322.836 3.674 0 40 DHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 14424118 HYDMKZKYHIMUBL-UHFFFAOYSA-N 322.408 3.920 0 40 DHAB Cc1ccc(OCC(=O)Nc2ccnn2C2CCCC2)cc1C 20011731 QUMTUQUKIWETDG-UHFFFAOYSA-N 313.401 3.633 0 40 DHAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1nc(C)c(C)s1 20403320 WJWUSIXQJVLGBD-LLVKDONJSA-N 319.430 3.516 0 40 DHAB COc1ccccc1N[C@H](C)C(=O)NCCC1=CCCCC1 28743838 SDIXCKLYWQPZJR-CQSZACIVSA-N 302.418 3.502 0 40 DHAB OC1=Nc2c(ncn2-c2ccccc2)[C@@H](c2ccc(O)cc2)C1 32101616 GVPHMENMMUGHQU-OAHLLOKOSA-N 305.337 3.702 0 40 DHAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCSCC1 40120626 PJFHWQBUQXRFCP-UHFFFAOYSA-N 306.431 3.589 0 40 DHAB O=C(COc1ccccc1)NCc1nc(-c2ccccc2)cs1 40323823 GBXZZYUAQXFPHG-UHFFFAOYSA-N 324.405 3.505 0 40 DHAB CC(C)c1noc([C@H]2CCCCN2C(=O)Cc2cccs2)n1 41124181 KVUVCIMXTQNRAU-CYBMUJFWSA-N 319.430 3.551 0 40 DHAB COc1cc(CN[C@@H](C)c2ccc(C)cc2)cc(OC)c1OC 45098312 WSPYZEAACKMKIH-AWEZNQCLSA-N 315.413 3.872 0 40 DHAB CCCC(=O)Nc1cc(Cl)c2nc(N)sc2c1Cl 45891493 STFDMCQWNFAOSD-UHFFFAOYSA-N 304.202 3.924 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1c1ccsc1 46088663 HZCNSHWYHFMTNK-IJEWVQPXSA-N 306.475 3.675 0 40 DHAB C[C@@H](NC(=O)NCc1ccccn1)c1ccc(C(F)(F)F)cc1 47596448 JFDKOIWTTPBQNO-LLVKDONJSA-N 323.318 3.661 0 40 DHAB C[C@@H](c1ncnc(Cl)c1F)[C@@](C)(O)c1ccc(F)cc1F 56955844 WGWRADFMZDPUIH-JKYUHCHBSA-N 316.710 3.559 0 40 DHAB CC(C)OC(=O)c1ccc(OCc2nnc(C(C)(C)C)o2)cc1 58024663 CWZAUHNPLLNLRD-UHFFFAOYSA-N 318.373 3.511 0 40 DHAB C[C@@H]1CCN(C(=O)[C@H]2CCOC2)c2cc(Cl)ccc2S1 60129466 NYDGYWVTDGJIQH-MNOVXSKESA-N 311.834 3.594 0 40 DHAB Cc1csc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1 61133213 QBBXCMPHSTUDGA-CQSZACIVSA-N 318.467 3.907 0 40 DHAB Cc1noc(C)c1NC(=O)CSc1ccc2c(c1)CCC2 63447437 MGXMLFPZTYWAKZ-UHFFFAOYSA-N 302.399 3.511 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)s1 69572720 QSSDNZVEBOEIRN-UHFFFAOYSA-N 301.820 3.819 0 40 DHAB COc1cc(Cl)ccc1C(=O)N(Cc1ccccn1)C1CC1 69585787 IYFQUOAINVZHAQ-UHFFFAOYSA-N 316.788 3.548 0 40 DHAB CC(=O)Nc1c(C)cc2nc(-n3nc(C)cc3C)sc2c1C 72228544 RPZKFFRGTJPNRI-UHFFFAOYSA-N 314.414 3.674 0 40 DHAB C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccc(Cl)cc1 72230386 BPERYPAJGNNKPB-LBPRGKRZSA-N 315.866 3.901 0 40 DHAB CC(=O)Nc1cc(NC(=O)Nc2cccc(F)c2F)ccc1C 72282539 GHZKTTCZPNTSRG-UHFFFAOYSA-N 319.311 3.876 0 40 DHAB CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)n1 72297269 PWSDRRNDCXJIIH-KGLIPLIRSA-N 322.474 3.542 0 40 DHAB CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(F)c(F)c3)cn2)C1 72365761 IZELKAGCBYQSDN-OAHLLOKOSA-N 316.351 3.753 0 40 DHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(F)ccc1F 74983459 MEAJBYVDUDYQIH-UHFFFAOYSA-N 317.744 3.560 0 40 DHAB CSc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)o1 78996568 RMSDLLWPPJLRPM-IUODEOHRSA-N 317.410 3.604 0 40 DHAB CN(C(=O)c1cc(OCc2ccccc2)no1)c1ccccc1 85558508 PHVSWOGZFQRBGY-UHFFFAOYSA-N 308.337 3.530 0 40 DHAB COCCCn1c(CCCCC(=O)O)nc2ccc(Cl)cc21 95095676 AABHUTNHCDLFHO-UHFFFAOYSA-N 324.808 3.524 0 40 DHAB Cc1ccc(-c2nc(CCN[C@@H](C)c3cnccn3)cs2)cc1 95421681 UWHBVMKDLUESQQ-AWEZNQCLSA-N 324.453 3.802 0 40 DHAB Cc1nc(C2CCN(c3nc4ccccc4cc3C)CC2)no1 95426227 SUXLTAXEFBNWFR-UHFFFAOYSA-N 308.385 3.619 0 40 DHAB CCc1cc2c(s1)NC(=O)CN=C2c1ccccc1Cl 95935650 NDWDXZCLEWQSMO-UHFFFAOYSA-N 304.802 3.753 0 40 DHAB in-vitro CCSc1cc(Cl)ccc1C(=O)NCc1nc(C)c(C)o1 97141868 JMIUCUNYVICZDA-UHFFFAOYSA-N 324.833 3.987 0 40 DHAB C1=C(CN2CCC[C@@H]2c2ccsc2)N2CCCN=C2S1 101083870 PTRTTXOLFUWIEO-CQSZACIVSA-N 305.472 3.535 0 40 DHAB CC(C)/N=c1\ccccn1C(=O)c1cc2c(s1)CCCCC2 101903903 QSYDMFOLYVDWPY-HTXNQAPBSA-N 314.454 3.816 0 40 DHAB FC1=C(Br)[C@]2(F)[C@H]3CC[C@@H](O3)[C@@]2(F)C(F)=C1F 104147575 GYYPJAYOWIUSLS-YNXIZAIDSA-N 317.051 3.704 0 40 DHAB CCCCO[C@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217809817 MTFKBHIICHJLER-AWEZNQCLSA-N 316.275 3.622 0 40 DHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccccc1F 225449732 DYGLYIMKDXHWSK-GOSISDBHSA-N 313.372 3.571 0 40 DHAB CO[C@](C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1 225645782 JZCFPJKIRMIZQH-SFHVURJKSA-N 305.418 3.844 0 40 DHAB CCOc1cccc(CNC(=O)c2ccc(OCC)c(C)c2)c1 225884675 BZIHLRWIDRWJKA-UHFFFAOYSA-N 313.397 3.722 0 40 DHAB CCCCCNC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225918419 IGUQJNNMMVYZJN-UHFFFAOYSA-N 312.417 3.757 0 40 DHAB Cc1cc(NC(=O)c2ccccc2F)cc2sc(N)nc12 226310472 OTVPAGTZRYHHEJ-UHFFFAOYSA-N 301.346 3.578 0 40 DHAB COC(=O)[C@@H]1[C@H](C[C@@H](O)c2ccccc2)[C@H]2CC[C@@]1(C)C2(C)C 245239663 LLZXMKJMTYWIHO-XFEYQPKCSA-N 316.441 3.972 0 40 DHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251242159 TWZNQAAHFWEOAF-YXAMBPQSSA-N 307.821 3.802 0 40 DHAB CC(C)Cc1ncc(-c2cncc([C@@H]3CCCN(C)C3)n2)s1 585260976 LCNMSMCCGZBYCX-CYBMUJFWSA-N 316.474 3.608 0 40 DHAB C[C@H](c1ccccc1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888856582 BJGATPBJKFLGMA-CYBMUJFWSA-N 317.820 3.734 0 40 DHAB CC(C)=CCC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O 52079 FKRFVQBBBINMFD-ZWKOTPCHSA-N 303.402 3.852 0 40 DHAB Clc1cccc(-c2oncc2-c2nnnn2-c2ccccc2)c1 88592 RIPBDVSZDODLCF-UHFFFAOYSA-N 323.743 3.638 0 40 DHAB O=C1N[C@@H](c2cccc(F)c2)Nc2sc3c(c21)CCCC3 178356 XGBSVYXZSSBYEU-CQSZACIVSA-N 302.374 3.620 0 40 DHAB Brc1ccc(OCc2cn3ccccc3n2)cc1 276111 CTVPPZKNPKHWRR-UHFFFAOYSA-N 303.159 3.676 0 40 DHAB O=C(NC1CCCCC1)N(C(=O)C(F)(F)F)C1CCCCC1 1572858 FMXSSRAMNLJKGT-UHFFFAOYSA-N 320.355 3.752 0 40 DHAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2ccccc2oc1=O 2658096 CGUMJRQXMGHHDK-AWEZNQCLSA-N 321.376 3.544 0 40 DHAB O=c1c2oc3ccccc3c2ncn1C/C=C/c1ccccc1 3007436 XSPQLFGWFUNVMD-RMKNXTFCSA-N 302.333 3.856 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)Nc2cccc(F)c2)cc1 3549423 XAXFVPAFQXZICD-UHFFFAOYSA-N 315.344 3.826 0 40 DHAB Clc1ccc(/C=C/c2ccnc3nc(-n4cccc4)nn23)cc1 4041515 NWSOTRSJPVBFDB-VMPITWQZSA-N 321.771 3.739 0 40 DHAB CC1(C)CCCC2=C1C[C@H]1C(=O)N(c3ccccc3)NC(=O)[C@H]1C2 4675062 CTYPHZKNPXLIOK-JKSUJKDBSA-N 324.424 3.597 0 40 DHAB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3[nH]2)[C@@H]1C 4830172 TZFRQNIHXODFHA-UPJWGTAASA-N 317.458 3.596 0 40 DHAB Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C 6127900 LKIGSXYCDIQBFC-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 7350385 JKQQZDQRHMFVNB-UHFFFAOYSA-N 317.389 3.901 0 40 DHAB C[C@@H](NC(=O)c1cc(Cl)nc2ccccc12)c1ccccn1 7986878 FUQGOWUQIKCWBZ-LLVKDONJSA-N 311.772 3.774 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)NCCc1cccc(Cl)c1 8404517 ANFKOKPUJUIHIL-UHFFFAOYSA-N 312.800 3.723 0 40 DHAB O=C(NCc1ccco1)c1ccc2nc(-n3cccc3)sc2c1 9532115 MYHZZVPQAIUAJF-UHFFFAOYSA-N 323.377 3.610 0 40 DHAB Cc1ccc(-c2ccsc2C(=O)NC2=NCCS2)cc1 10032568 XXYINMDXQHDJGT-UHFFFAOYSA-N 302.424 3.556 0 40 DHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 12878977 HFAHXYGPWNEARM-PXAZEXFGSA-N 315.800 3.911 0 40 DHAB CC1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 13011060 NENOFIFHPHZWDF-UHFFFAOYSA-N 323.440 3.670 0 40 DHAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)oc2c(Cl)cccc12 14171247 QQEHFIFWNCDRGE-NXEZZACHSA-N 307.777 3.644 0 40 DHAB C[C@H](NC(=O)c1ccc([S@](C)=O)cc1)c1ccc(Cl)cc1 14411664 IZXNZPBIHLLWRH-WIUDPPPLSA-N 321.829 3.568 0 40 DHAB CC(C)(C)OC(=O)NCc1ccc(F)c(Br)c1 14982260 WPXFKOSNDNRKIL-UHFFFAOYSA-N 304.159 3.613 0 40 DHAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(C)c(Cl)c1 20139331 JFHDBSXZVLWCPP-UHFFFAOYSA-N 319.744 3.608 0 40 DHAB CC(C)c1cc(C(=O)N2CCN(C3CCCCC3)CC2)cs1 20550126 UMPVRZXPUHJBQD-UHFFFAOYSA-N 320.502 3.962 0 40 DHAB O=c1c(-c2nc(-c3cccc(Cl)c3)no2)c[nH]c2ccccc12 20731394 JUSZMCZVAHMCHE-UHFFFAOYSA-N 323.739 3.899 0 40 DHAB COc1cc2nc(NC(=O)CC(C)(C)C)sc2cc1OC 22284181 BUSRVYGJHWALMW-UHFFFAOYSA-N 308.403 3.688 0 40 DHAB Cc1nc(CCNC(=O)c2cc3c(F)cccc3s2)cs1 22761551 GCXLLPUEFNULQA-UHFFFAOYSA-N 320.414 3.778 0 40 DHAB Cc1cc(COC(=O)C(c2ccccc2)c2ccccc2)on1 32170384 RNLDGLCRLPFWKU-UHFFFAOYSA-N 307.349 3.858 0 40 DHAB CC(C)CC[C@@H](C)NC(=O)Cc1coc(-c2ccccc2)n1 32836512 YOMBNEFXJWXZES-CQSZACIVSA-N 300.402 3.825 0 40 DHAB O=C(Nc1ccnn1C1CCCCC1)c1ccc(F)cc1F 32969276 OVSMLUIOSHJTJH-UHFFFAOYSA-N 305.328 3.919 0 40 DHAB CC(=O)Nc1ccc(OC(=O)c2cc(-c3ccccc3)on2)cc1 40012171 ZTCKPIYJBAWRCU-UHFFFAOYSA-N 322.320 3.519 0 40 DHAB O=C(Nc1ccncc1)C1(c2cccc(Br)c2)CC1 40058814 CXXLATREKAWVNN-UHFFFAOYSA-N 317.186 3.514 0 40 DHAB Fc1ccc(NCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 40174553 NVLDZGMNTGVYNQ-UHFFFAOYSA-N 302.740 3.876 0 40 DHAB O=C(C1CCCC1)N(Cc1ccsc1)Cc1ccccn1 44445927 FQTRCHBWKQRUJQ-UHFFFAOYSA-N 300.427 3.862 0 40 DHAB COc1ccc(-c2nc3ccccc3s2)cc1-n1cnnc1 45920691 CXKUJHWZRREFMW-UHFFFAOYSA-N 308.366 3.553 0 40 DHAB Cc1ccc(N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 48273975 DUAXXSFURMFPNA-IAGOWNOFSA-N 310.441 3.933 0 40 DHAB CCN1CCC(CNC(=O)c2cc(Cl)sc2Cl)CC1 49377585 XKEOFMUAPFKLQQ-UHFFFAOYSA-N 321.273 3.517 0 40 DHAB CCOc1cc([C@H]2NCc3ccccc3-n3cccc32)ccc1O 55028069 UQNHPFXUEDWBHD-HXUWFJFHSA-N 320.392 3.774 0 40 DHAB Cc1ccc(-c2ccc(/C=C/C(N)=O)o2)c(Br)c1 57353771 ZMQOODDVWKLSLN-QPJJXVBHSA-N 306.159 3.516 0 40 DHAB CC[C@H](C)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl 58379289 UKECDOYQJHATOU-NSHDSACASA-N 308.809 3.561 0 40 DHAB Cc1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)on1 58417443 BVYDDKUHHGBQDD-UHFFFAOYSA-N 320.348 3.537 0 40 DHAB Cc1csc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n1 59271648 DAMUHZMBCQLJBK-UHFFFAOYSA-N 306.435 3.779 0 40 DHAB CCN(CC)[C@@H](CNc1cc(Cl)nc(C)n1)c1ccccc1 60340060 ZWWUWACBHWGETC-HNNXBMFYSA-N 318.852 3.933 0 40 DHAB CCNc1nc2c(-c3ccccc3C)nnn2c2ccccc12 67262154 ZNVZZTAIEJDUMC-UHFFFAOYSA-N 303.369 3.685 0 40 DHAB Nc1ccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 67800401 YWBRXHTYLKFTMS-UHFFFAOYSA-N 309.213 3.551 0 40 DHAB O=C(CC(F)(F)F)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 69452285 LIUMFJAJOBBKLK-WCBMZHEXSA-N 311.225 3.630 0 40 DHAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc3ccccc3o2)n1 71870023 DHODZAPWXDOIJE-MRXNPFEDSA-N 323.396 3.551 0 40 DHAB CCCCNC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 71909604 XAQNLSQDZYGBRE-OAQYLSRUSA-N 310.463 3.655 0 40 DHAB C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cccc(F)c2)C1 72305933 DEDGLWDAROWTIX-SJKOYZFVSA-N 308.397 3.525 0 40 DHAB CCc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(C)c2)cc1 72329104 TUDBIDWLYTYVNT-UHFFFAOYSA-N 319.408 3.878 0 40 DHAB O=Cc1ccc2nc(-c3cncc(Br)c3)sc2c1 73635258 PQNLJACZIVKCOR-UHFFFAOYSA-N 319.183 3.933 0 40 DHAB CCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H](C)c1cc2ccccc2o1 75122701 LWWIRAADUMLFHU-ZDUSSCGKSA-N 324.380 3.653 0 40 DHAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(F)c2C)cc1 80716503 CKEUJPLWRUPRQV-ZHACJKMWSA-N 305.374 3.855 0 40 DHAB COc1ccc(F)cc1C[S@@](=O)[C@@H](C)c1ccccc1F 89909740 CFRNDRUEALSSGN-MQJDWESPSA-N 310.365 3.983 0 40 DHAB CC(C)[C@H](NC(=O)[C@H]1CSc2ccccc21)c1ccncc1 95398500 DITYBNIWMMRVOK-RDJZCZTQSA-N 312.438 3.784 0 40 DHAB O=C(CCC(F)(F)F)Nc1ccc(O)c(C(F)(F)F)c1 95416044 DLGNKZCVXNUCBF-UHFFFAOYSA-N 301.186 3.692 0 40 DHAB C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1 95456675 MUSMOYSHQJVZMS-CQSZACIVSA-N 314.816 3.691 0 40 DHAB O=C(c1cc(Cl)ccc1F)N1CC[C@H]1Cc1ccccc1 95963337 CSKSZJFVLMLBRZ-AWEZNQCLSA-N 303.764 3.936 0 40 DHAB Cc1nc(CN[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cs1 96456797 PMLMDPDPFAPKBN-PBHICJAKSA-N 315.486 3.594 0 40 DHAB FC(F)(F)c1nnc2ccc(SC3CCCCC3)nn12 97002067 WTQXRZFEJZOTKT-UHFFFAOYSA-N 302.325 3.568 0 40 DHAB Cc1nccn1-c1ncccc1NCc1csc(C2CC2)n1 97036956 KSSBPEAUSHYRFS-UHFFFAOYSA-N 311.414 3.522 0 40 DHAB C[C@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)[C@H]1c1ccccc1 97099383 PAMWJHBAVDXRAD-BLLLJJGKSA-N 308.385 3.579 0 40 DHAB COCc1ccc(CNc2nnc(-c3cccs3)o2)cc1 97114540 OVUJBLNBLPVCNJ-UHFFFAOYSA-N 301.371 3.557 0 40 DHAB Cc1cccc(-n2c(S)nc3cc(Cl)ccc3c2=O)c1 100433951 CYVPIBMKQCYGTE-UHFFFAOYSA-N 302.786 3.636 0 40 DHAB C[C@@H]1CCCCN1C[C@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104489063 JVWNDFSGDRHMEI-LYYGHALDSA-N 323.521 3.843 0 40 DHAB Cc1ccc(NC(=O)c2nn[nH]c2-c2ccccc2)cc1Cl 188936609 MPNPAVYGZXQLGP-UHFFFAOYSA-N 312.760 3.686 0 40 DHAB CCCSc1nnc(NC(=O)Cc2cc(C)ccc2C)s1 222894285 JDKMUEBCGVFZJM-UHFFFAOYSA-N 321.471 3.838 0 40 DHAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)c(C)n1 225903720 CQTSKKLIFXKXHB-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB CO[C@H]1CCCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)C1 227674511 PXVCTSVKHOQSEU-QAPCUYQASA-N 314.429 3.597 0 40 DHAB CCC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C 257245907 IRPLVZDRXKNVLM-PVYRDQNTSA-N 307.478 3.769 0 40 DHAB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2OC)c2ccccc21 409114733 IYKYWDVIACZOHT-VBKFSLOCSA-N 323.392 3.919 0 40 DHAB CO[C@H]1CCCN(Cc2scnc2C)[C@H]1Cc1ccccc1 1615190468 DHPPJMIJLXPIFX-IRXDYDNUSA-N 316.470 3.674 0 40 DHAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(CC2CC2)C1 1776000451 DTZVLBQPOKYIHY-ZDUSSCGKSA-N 314.351 3.601 0 40 DHAB COc1ccc(CNc2ccc(C)c(C)c2)c(OC)c1OC 263190 LTDCUAMVUPUCAE-UHFFFAOYSA-N 301.386 3.941 0 40 DHAB CC(C)Sc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 369182 MCFKTJCYBQMBNB-UHFFFAOYSA-N 309.460 3.625 0 40 DHAB CCn1c(SCc2ccccc2)nnc1-c1ccc(O)cc1 422582 SGYXEVXIIHLTEZ-UHFFFAOYSA-N 311.410 3.963 0 40 DHAB Clc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1 520571 MYFVKUBNXNTHBG-UHFFFAOYSA-N 302.746 3.766 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1 804497 HOUVPLOZMHLJPB-ZIAGYGMSSA-N 309.475 3.936 0 40 DHAB CC(C)(C)NC(=O)CSc1nc2cc(Cl)ccc2s1 1325302 AICRVUYCROVQMB-UHFFFAOYSA-N 314.863 3.957 0 40 DHAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2 1369950 ATKYDDIDOPWHDX-GJZGRUSLSA-N 320.864 3.865 0 40 DHAB Cc1ccc(OCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 2635621 RSUPRIPIWQKOFS-LJQANCHMSA-N 309.409 3.958 0 40 DHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)no2)cc1 2798461 SUIXXCDKJVJPQI-UHFFFAOYSA-N 310.328 3.719 0 40 DHAB S=C(NCc1cccnc1)Nc1cccc(Cl)c1Cl 3119311 SZSSRCXOVBJWCE-UHFFFAOYSA-N 312.225 3.875 0 40 DHAB CCNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3294558 QHOGTQNMYRHCQE-UHFFFAOYSA-N 319.817 3.799 0 40 DHAB CN(CC(=O)Nc1c(F)cccc1F)Cc1cccc(Cl)c1 3334827 YHSFSMFZIWDUJQ-UHFFFAOYSA-N 324.758 3.689 0 40 DHAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)s1 3389238 RJTXGQXPHRNDAT-SSDOTTSWSA-N 313.835 3.619 0 40 DHAB COc1ccc(CC(=O)Nc2ccccc2Cl)cc1OC 3483313 BQKDQGNUJXIJMM-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB Clc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 3843123 SQYPMDLQSKIWTE-CQSZACIVSA-N 314.801 3.947 0 40 DHAB biogenic CCc1nnc2c3ccccc3nc(Nc3ccc(OC)cc3)n12 4414182 OQVLMDBQJXRUTB-UHFFFAOYSA-N 319.368 3.592 0 40 DHAB Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc(F)cc1 6185707 UMGSXOWRSJOIMS-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB COc1ccc(C2=NN=C(N[C@@H]3CCCC[C@@H]3C)SC2)cc1 6525497 MCVOAHXIOLNFOZ-SWLSCSKDSA-N 317.458 3.670 0 40 DHAB Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1 6764522 MDFYKPRZTQYRSK-UHFFFAOYSA-N 316.154 3.805 0 40 DHAB Cc1cnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 6969122 NMLJLGDBBHHYML-UHFFFAOYSA-N 304.415 3.767 0 40 DHAB Cc1cc2nc(NCc3ccc(F)cc3)c3ccccc3n2n1 7735846 VUOSOZZLCSKAIG-UHFFFAOYSA-N 306.344 3.942 0 40 DHAB O=C(Cc1c(Cl)cccc1Cl)NOCc1ccccc1 7791491 SCWAMENJYJHMMW-UHFFFAOYSA-N 310.180 3.784 0 40 DHAB Cc1ccc(C)c(COC(=O)CCCNC(=O)OC(C)(C)C)c1 7828689 KFFHGIDHFZIADW-UHFFFAOYSA-N 321.417 3.652 0 40 DHAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2OC)cc1F 7919133 DUQMNGNYVJCCCJ-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB CCCN(CCC)Cc1c(C)nc2ccc(N(C)C)cc2c1O 8717510 WXJZSQGQINYOKA-UHFFFAOYSA-N 315.461 3.937 0 40 DHAB COc1cccc(Oc2c[nH]nc2-c2ccc(O)c(C)c2O)c1 8973445 MOJCHHONVQEMQS-UHFFFAOYSA-N 312.325 3.597 0 40 DHAB Fc1ccc(-c2nnc(S)n2-c2cccc3ncccc23)cc1 8993606 DOOJAYIWVLVMQD-UHFFFAOYSA-N 322.368 3.910 0 40 DHAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C)c(C)c1 9071054 JFXWRTGDZZOEDP-UHFFFAOYSA-N 315.417 3.951 0 40 DHAB CC(C)NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 9808003 IRCIJTJSXPNVFV-UHFFFAOYSA-N 315.398 3.764 0 40 DHAB CCOC(=O)c1ccc(-c2nc(-c3cccc(OC)c3)no2)cc1 12655198 MFVQRXRRMLTVEB-UHFFFAOYSA-N 324.336 3.589 0 40 DHAB C[C@H](NCc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1 12780895 HPRFYOIQYWPYLT-JTQLQIEISA-N 303.749 3.834 0 40 DHAB O=C(O)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)s1 13429009 KMSUGMMYIUJTSR-UHFFFAOYSA-N 323.801 3.519 0 40 DHAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 14216770 TYWFGYMJKRWBGD-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB Cc1cc(Cl)ccc1NCc1cc(=O)n2c(C)csc2n1 15290389 CIQQVKNUZMRADF-UHFFFAOYSA-N 319.817 3.638 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 26466601 CQUXPSSVNJRRNB-BZPMIXESSA-N 308.853 3.953 0 40 DHAB CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCc2ccccc21 32905292 OUFBLEOYDVFZHT-QGZVFWFLSA-N 319.360 3.553 0 40 DHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2cccs2)c1 32906968 ZMUZJRSHQGJING-UHFFFAOYSA-N 316.426 3.914 0 40 DHAB COc1ccccc1CNC(=O)C1=Cc2cc(C)ccc2OC=C1 33321280 MTJDFADXQODINU-UHFFFAOYSA-N 321.376 3.610 0 40 DHAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2cccc(O)c2)C1 36354926 GRXFIBXFATVHHT-OAHLLOKOSA-N 323.327 3.841 0 40 DHAB CN(C)CC/C=C1/c2ccccc2C[S@@](=O)c2ccccc21 38190881 NBNPVRZHUPMVQS-AAKHDSTQSA-N 311.450 3.691 0 40 DHAB COc1ccc(CNC(=O)Nc2cccc(Cl)c2)c(OC)c1 44845709 SGFGTMLBBLIFBF-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB FC(F)Sc1ccccc1CN1CCCN2CCC[C@@H]2C1 65541962 WIDWDKBBZYOUKT-CQSZACIVSA-N 312.429 3.671 0 40 DHAB O=C(Cc1cccc(F)c1)N(Cc1cccnc1)Cc1ccco1 65576097 NSYJAJOGYPZGBL-UHFFFAOYSA-N 324.355 3.585 0 40 DHAB O=C(Nc1ccnn1C1CCCCC1)c1c(O)cc(F)cc1F 66043718 GESPHZJUKWITQM-UHFFFAOYSA-N 321.327 3.624 0 40 DHAB Cc1nnc([C@H](C)Sc2cc3c(cc2Cl)OCCO3)o1 66262176 GOSMJLVUWQPYGZ-ZETCQYMHSA-N 312.778 3.656 0 40 DHAB O=C(COc1ccc(F)cc1Cl)N1CCC[C@H]1c1ccc[nH]1 71818729 YYQPMYAWLIZBEJ-AWEZNQCLSA-N 322.767 3.550 0 40 DHAB C[C@H]1C[C@H]1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889984 ZCJIXCQYTIIGJN-SMDDNHRTSA-N 318.804 3.943 0 40 DHAB C[C@@H](NCc1ccc(CO)o1)c1ccc(Cl)c(Cl)c1 71915083 AENPDZLIUGZGAB-SECBINFHSA-N 300.185 3.930 0 40 DHAB Cc1ncc(COC(=O)[C@H]2SCCc3sccc32)s1 76876591 CFZPBRHEMRQBPF-LBPRGKRZSA-N 311.453 3.587 0 40 DHAB C[C@H]1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1 78669585 WEDYEUSBVUJKRS-INIZCTEOSA-N 323.440 3.638 0 40 DHAB OCC1CCN(Cc2cccc(NCc3cccs3)c2)CC1 86258288 YCXYNWNFLNFJMF-UHFFFAOYSA-N 316.470 3.565 0 40 DHAB CCc1ccc([C@H](C)NCc2ccc(Cn3ccnc3)cc2)o1 95420172 BSVBVUXPNQJGPU-HNNXBMFYSA-N 309.413 3.938 0 40 DHAB c1csc(-c2oncc2CSc2nc(C3CC3)n[nH]2)c1 95437120 QRTSOWOBQWQGBP-UHFFFAOYSA-N 304.400 3.691 0 40 DHAB CCCC[C@H](CC)CCN[C@H]1CCCN(c2cccnn2)C1 95445333 KUMXUKUEQLTAQY-IRXDYDNUSA-N 304.482 3.642 0 40 DHAB C[C@H](c1cccc(-c2ccncc2)c1)N(C)CCn1cccn1 95459795 NPHSGKBUVYNAEZ-MRXNPFEDSA-N 306.413 3.638 0 40 DHAB CC[C@H](C)CN(C)C(=O)Cc1nc(-c2ccccc2)oc1C 95957247 BJBIKAGIOLAGNF-ZDUSSCGKSA-N 300.402 3.697 0 40 DHAB CCOc1c(Cl)cccc1NC(=O)NCc1cc(CC)no1 96421886 KOQFIGJFQPYEMC-UHFFFAOYSA-N 323.780 3.611 0 40 DHAB Cc1nc(COc2ccc(OCC(F)(F)F)cc2)oc1C 96429041 JBXZYRJNSGSGJE-UHFFFAOYSA-N 301.264 3.812 0 40 DHAB Cc1nc(C[S@](=O)[C@H]2CCc3c(Cl)cccc32)oc1C 97083673 GROXOPDYEQXZOC-VBKZILBWSA-N 309.818 3.881 0 40 DHAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 102127055 GIDIEUDYRSCPEQ-OTRWWLKZSA-N 309.365 3.525 0 40 DHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(Cl)c1 104821647 GOYQTZINRVVFDX-AVGNSLFASA-N 321.804 3.648 0 40 DHAB Cc1cc(C)c(NC(=O)COc2ccc(Cl)nc2)c(C)c1 123189529 GGYLYBMGGXUDEL-UHFFFAOYSA-N 304.777 3.678 0 40 DHAB O=C(/C=C/c1ccco1)N1CCS[C@H](c2ccco2)CC1 207004627 NOSRZWKAXXUFAR-NFAHFFEMSA-N 303.383 3.593 0 40 DHAB Cc1ccc2cc(CNc3cccc([S@](C)=O)c3)ccc2n1 225465073 JTAKZDHKJIUAPG-QFIPXVFZSA-N 310.422 3.893 0 40 DHAB Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)c(C)n2)cc1 257173327 JWJZGOCYGBJRBP-UHFFFAOYSA-N 317.392 3.690 0 40 DHAB COc1cc(C(=O)Cc2cccs2)ccc1Br 575362195 MTFDJSQLWIYPCO-UHFFFAOYSA-N 311.200 3.945 0 40 DHAB C[C@@H]1Sc2ccccc2N(C(=O)c2ncc3ccccn23)[C@@H]1C 1532418516 CAUCBCOSYSOLFD-OLZOCXBDSA-N 323.421 3.864 0 40 DHAB CSc1nc(NN)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 507624 QTBOCTUGXGBZEU-QMMMGPOBSA-N 322.503 3.850 0 40 DHAB O=c1sc2ccccc2n1CCOc1ccccc1Cl 814277 UXQIMKIMAPSSIV-UHFFFAOYSA-N 305.786 3.795 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(Cl)c2)c1C 2627134 NRZGWOGJZHZWSZ-UHFFFAOYSA-N 305.761 3.845 0 40 DHAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C 4932119 XMVJLPRIYBIORE-UHFFFAOYSA-N 300.333 3.673 0 40 DHAB CC1(C)CC(=O)C2(CNc3ccc4ccccc4c3C2)C(=O)C1 6659244 ZQKROJRJIMXUMB-UHFFFAOYSA-N 307.393 3.752 0 40 DHAB O=C(C1CCC1)N1CCC(c2nc3ccccc3s2)CC1 7645039 KSAIBZSLIMMKNW-UHFFFAOYSA-N 300.427 3.802 0 40 DHAB CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2cc(OC)ccc21 8743586 IKOYSHPJZLFADV-UHFFFAOYSA-N 307.417 3.973 0 40 DHAB COc1cc(C)c(NC(=O)c2cc(C)sc2C)cc1OC 9451336 MPMXBPJFKHKPOT-UHFFFAOYSA-N 305.399 3.943 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10503889 AZRXLSAFDJFLIY-MRXNPFEDSA-N 319.408 3.891 0 40 DHAB O=C(c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2)C1 11693773 KAJPJTZWAPGOFN-MRXNPFEDSA-N 301.773 3.554 0 40 DHAB Cn1c(SCc2nnc(-c3ccccc3)o2)nc2ccccc21 12542262 PESHOOIEKODFHV-UHFFFAOYSA-N 322.393 3.916 0 40 DHAB C[C@@H]1CCCC[C@H]1NC1=NN=C(c2c(F)cccc2F)CS1 12797728 PKBYSZPJBMUYBC-ZWNOBZJWSA-N 323.412 3.940 0 40 DHAB C[C@H](NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1)c1cccs1 12907270 BQNAAVKGLGICED-STQMWFEESA-N 320.433 3.757 0 40 DHAB C[C@H]1CCc2c(sc3ncnc(NN4CCCCC4)c23)C1 13071186 UWNXKBZHEFBPNJ-NSHDSACASA-N 302.447 3.629 0 40 DHAB CC[C@@H]1CCCCN1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 13145738 WNOXUDZNUVFWLM-QWFCFKBJSA-N 317.473 3.706 0 40 DHAB CC(=O)Nc1ccc(OCCCOc2ccc(F)cc2)cc1 14069992 AAIZNHAHWLFYHH-UHFFFAOYSA-N 303.333 3.632 0 40 DHAB COc1ccccc1N[C@@H](SCC(=O)O)c1ccccc1 16758461 DTYJMISKGZBSIG-INIZCTEOSA-N 303.383 3.624 0 40 DHAB C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 18016415 DZVGMQDXZKSFSM-NSHDSACASA-N 304.340 3.522 0 40 DHAB O=C(C1CCCC1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 19406758 IUDITSGIUQZRAF-ZDUSSCGKSA-N 317.414 3.652 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2N)c1 19993572 QAVWLTYHPRZJTL-UHFFFAOYSA-N 304.777 3.557 0 40 DHAB Cc1nccn1-c1ccccc1CNC(=O)/C=C/c1ccccc1 20039628 MKCJTNJLDXYSKD-VAWYXSNFSA-N 317.392 3.510 0 40 DHAB CC(C)CCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 20456797 LCQFJTLXARLDDX-UHFFFAOYSA-N 302.462 3.694 0 40 DHAB CC(C)OCCCNC(=O)c1cc(-n2cccc2)ccc1Cl 20722645 HGRTZBMFZBOYGT-UHFFFAOYSA-N 320.820 3.676 0 40 DHAB CC(C)C(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1 22051334 OUZOXSZZTRPICC-UHFFFAOYSA-N 311.381 3.819 0 40 DHAB in-vitro O=C(Nc1ccc(-n2ccnc2)nc1)c1csc2ccccc12 24905086 ORSYIRDVAHTUJG-UHFFFAOYSA-N 320.377 3.734 0 40 DHAB CN(Cc1nccn1C(F)F)C(=O)c1csc2ccccc12 29183125 SRDUUWQNSINVCC-UHFFFAOYSA-N 321.352 3.765 0 40 DHAB CCc1cc(C(=O)Nc2ccc(NC(=O)NC)cc2)sc1C 32903285 YQXVDSFNQDHPBU-UHFFFAOYSA-N 317.414 3.623 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)s2)cc1 35426646 ZTFINCYUTGHILA-UHFFFAOYSA-N 303.383 3.996 0 40 DHAB Fc1ccc(-c2n[nH]cc2CNCCc2ccsc2)cc1 40091393 ZWMJFEUMDUHZPU-UHFFFAOYSA-N 301.390 3.610 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)NCCCOC(C)C 40099171 FBRWMBWCTXULEU-UHFFFAOYSA-N 314.813 3.594 0 40 DHAB O[C@H](c1ccccc1)C(F)(F)n1ccnc1-c1ccccc1 43879533 PXVHTXQGORVXCP-OAHLLOKOSA-N 300.308 3.833 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1ccnc3ccccc13)SCC(O)=N2 44901208 LWQQZHVFRKIEFB-OAHLLOKOSA-N 310.382 3.691 0 40 DHAB Cc1nc(/C=C/C(=O)N2CCCc3c(F)cc(F)cc32)cs1 57993927 KENJYBOUVSJXJN-SNAWJCMRSA-N 320.364 3.722 0 40 DHAB CCN(CC)c1ccc(C(=O)N[C@H](C)c2ccccc2C)cn1 58136520 RXROHHHXKBYMLQ-OAHLLOKOSA-N 311.429 3.727 0 40 DHAB CN(CCOc1cccc(F)c1)Cc1ncc(C(C)(C)C)o1 58159954 ZPBYKOOTIBCYBY-UHFFFAOYSA-N 306.381 3.622 0 40 DHAB O=C(c1ccncc1)N(Cc1ccncc1)CC1CCCCC1 69324593 BECHWNOFDFZKMA-UHFFFAOYSA-N 309.413 3.699 0 40 DHAB Cc1ccoc1C(=O)N1CCC(Nc2ccccc2Cl)CC1 69370307 JPWQIWYKTHTFAZ-UHFFFAOYSA-N 318.804 3.958 0 40 DHAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC[C@@H](O)C1 69811172 YZVFFHYFJFQVQO-CYBMUJFWSA-N 322.474 3.874 0 40 DHAB CSC[C@@H](C)N(C)C(=O)Nc1cccc(-c2ncc(C)o2)c1 77468734 AGOIUCMTZWCAFR-LLVKDONJSA-N 319.430 3.865 0 40 DHAB Cc1cc(C(=O)Nc2ccc3nc(C)oc3c2)c2c(C)noc2n1 84083217 LBVVSJKZKAYYSX-UHFFFAOYSA-N 322.324 3.542 0 40 DHAB Cc1ccc([C@H](NC(=O)c2cnc3onc(C)c3c2)C2CC2)cc1 84148672 JGCNYKHYWZAUNG-KRWDZBQOSA-N 321.380 3.721 0 40 DHAB C[C@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1 84647775 HFGYAZRIBYBFQD-WCQYABFASA-N 307.800 3.904 0 40 DHAB CC[C@H](NC1CCC(O)CC1)c1ccccc1Br 90799941 PLPVAJDXMFRYNJ-QOZQQMKHSA-N 312.251 3.793 0 40 DHAB CC[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@@H]1CCOC1 95407204 VZNZXGQBLLTLOS-HIFRSBDPSA-N 315.369 3.617 0 40 DHAB CC[C@H]1CCc2ccccc2N1Cc1nnc(C2CCC2)n1C 96008424 SFVMSZSDCIJOMR-INIZCTEOSA-N 310.445 3.814 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1csc2nc(=O)sc-2c1 96318833 RRBKANWBVXAFIU-UHFFFAOYSA-N 322.798 3.575 0 40 DHAB Cn1cnnc1SCc1nc(-c2c(F)cccc2F)cs1 97107161 SCCIWJZLYDNVDN-UHFFFAOYSA-N 324.381 3.509 0 40 DHAB Cc1nncn1-c1cccc(NC(=O)c2ccc(Cl)s2)c1 97230383 JSBROAWUGYEORZ-UHFFFAOYSA-N 318.789 3.543 0 40 DHAB Fc1cc(F)c(NCc2nnc(Cc3ccccc3)o2)cc1F 97236956 PEODHKYSLTYILR-UHFFFAOYSA-N 319.286 3.690 0 40 DHAB CC[C@@H](C)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 192845340 WUCHDHYQEOUJMT-CYBMUJFWSA-N 315.417 3.723 0 40 DHAB COc1cc(NC(=O)N[C@@H](C)c2ccccn2)ccc1Cl 194416398 PXJYLHHRKYMDBK-JTQLQIEISA-N 305.765 3.626 0 40 DHAB Cc1nnc(S/C(=C\c2ccc(C(C)C)cc2)C(=O)O)o1 211531464 KSTKOLIXJARTAQ-JYRVWZFOSA-N 304.371 3.719 0 40 DHAB CCNC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1 225429240 CSAZOPNYRFHYKN-UHFFFAOYSA-N 323.318 3.781 0 40 DHAB CC[C@@H](C)Nc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 228940809 VZNDHXHUXGNLDR-SSDOTTSWSA-N 313.739 3.757 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 240067797 SCHKXYRFWOUKFL-PPSVVTBLSA-N 323.521 3.842 0 40 DHAB CC1(c2ncc(Cl)s2)CCN(Cc2ccccn2)CC1 257200676 AELKNKJMUXXTQG-UHFFFAOYSA-N 307.850 3.745 0 40 DHAB CCOC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 408718176 OGUNFFSCQTUVRR-UHFFFAOYSA-N 309.325 3.972 0 40 DHAB CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1C 247412 PZOGIWMIURSOPF-UHFFFAOYSA-N 309.412 3.855 0 40 DHAB O=C(O[C@H]1CCC[C@@H]1OC(=O)c1ccccc1)c1ccccc1 345532 RVLSTMZYTRSDJL-IRXDYDNUSA-N 310.349 3.622 0 40 DHAB O=C1COc2ccccc2CN1c1ccc(Cl)c(Cl)c1 1075377 RYERMBUTEZEAFI-UHFFFAOYSA-N 308.164 3.919 0 40 DHAB COc1cccc(Nc2c(F)c(F)c(F)c(F)c2C(=O)O)c1 1273312 PSRYBZDEEXBKMI-UHFFFAOYSA-N 315.222 3.693 0 40 DHAB CC(C)NC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1 1381800 GCLMNZNTTKMQQC-UHFFFAOYSA-N 317.392 3.949 0 40 DHAB Cc1ccc(S(=O)(=O)Oc2cc(C)c3ccccc3n2)cc1 1628079 QJRNRLDBBWDXGJ-UHFFFAOYSA-N 313.378 3.619 0 40 DHAB S=C(c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1 1730958 PTVPBZILDJRGLH-UHFFFAOYSA-N 322.886 3.899 0 40 DHAB C[C@H]1CCCc2sc3ncn4nc(-c5ccncc5)nc4c3c21 2353462 PLDBBUKDCZQSCS-JTQLQIEISA-N 321.409 3.841 0 40 DHAB O=C(c1cccc(F)c1)c1cccc(CN2CCSCC2)c1 2515286 SZMJAWQJLQFVNJ-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB O=C(Nc1ccccc1)O[C@H](C(F)(F)F)C(F)(F)Cl 3106314 FKOFPBBDVZPNAP-ZETCQYMHSA-N 303.614 3.998 0 40 DHAB Cc1cccc(NC(=O)COC(=O)c2ccc(F)cc2Cl)c1 3231656 RGQSPBXHMCJJHZ-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CC(CCCCCCCCCCCCCO)(C(=O)O)C(=O)O 4023143 MJCWBCRPZMLYCI-UHFFFAOYSA-N 316.438 3.835 0 40 DHAB biogenic O=C1[C@H]2CC=C(Cl)C[C@@H]2[C@H]2c3[nH]c4ccccc4c3CCN12 4025914 CQKQDDPDUJFJHB-ZQIUZPCESA-N 312.800 3.756 0 40 DHAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1 4033003 NMWJWRPYCYKMQT-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB Cc1c([C@@H](C)OC(=O)Nc2ccc(F)cc2)sc2ncnn12 4060319 SHAOLBXTAVMJQO-SECBINFHSA-N 320.349 3.548 0 40 DHAB CCCC[C@@H](C(=O)Nc1ccc2c(c1)C[C@H](C)O2)N(CC)CC 4063958 VCXCSUROFHCUQZ-YOEHRIQHSA-N 318.461 3.849 0 40 DHAB biogenic C[C@@H](Sc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 4405944 YFMRVKUDUPQXGA-SNVBAGLBSA-N 300.358 3.916 0 40 DHAB O=C(O)CCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 4613922 KFRHJVHDSAHKEN-UHFFFAOYSA-N 324.789 3.657 0 40 DHAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2F)c1 5842104 IHJRGXLKQSWLIW-UHFFFAOYSA-N 300.333 3.673 0 40 DHAB CC(C)c1ccccc1OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C 6007648 FXMYFPOBYHRDNB-IXDOHACOSA-N 305.462 3.813 0 40 DHAB CCCCCC(=O)NC(=S)Nc1ccccc1N1CCCC1 6349673 SCUKELLOWOGTCB-UHFFFAOYSA-N 319.474 3.680 0 40 DHAB COc1cc(NC(=O)C2(c3ccccc3)CCC2)cc(OC)c1 8113719 POXROSWGWIOEIR-UHFFFAOYSA-N 311.381 3.764 0 40 DHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 8498285 XBWZNEDQQYNXFP-KRWDZBQOSA-N 317.816 3.856 0 40 DHAB Cn1c(SCC(=O)NC2CCCCCC2)nc2ccccc21 8719763 MWLVGBCKYZQIFJ-UHFFFAOYSA-N 317.458 3.504 0 40 DHAB COc1ccccc1Oc1c(-c2ccc(O)cc2O)n[nH]c1C 9109345 ZWOVXUCOBBPTGB-UHFFFAOYSA-N 312.325 3.597 0 40 DHAB O=C1CCCN1c1cccc(-c2csc(-c3cccnc3)n2)c1 9608611 JORNKRCPRWOHKI-UHFFFAOYSA-N 321.405 3.999 0 40 DHAB Cc1nc2cc(NC(=O)CCc3c[nH]c4ccccc34)ccc2[nH]1 10656987 FTYMULRFUSGNGA-UHFFFAOYSA-N 318.380 3.924 0 40 DHAB COc1cc(C(=O)Nc2c[nH]c3ccccc23)c2ccccc2n1 12192733 XFFBLNBEHZPKRV-UHFFFAOYSA-N 317.348 3.977 0 40 DHAB O=C(Nc1cccc2ncccc12)c1cn2cc(Cl)ccc2n1 12323962 IIXBLEBGYAPYDP-UHFFFAOYSA-N 322.755 3.788 0 40 DHAB CC(C)CCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 12789722 TZBAPIQTUPIHRY-UHFFFAOYSA-N 313.372 3.833 0 40 DHAB Cc1ccsc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 12907854 HNVOOPWWBGFIBF-UHFFFAOYSA-N 300.383 3.657 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(=O)[nH]c2ccccc12 12940102 XQYJYLAKKVMCIQ-UHFFFAOYSA-N 316.719 3.573 0 40 DHAB CCc1ccc(OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 14711243 AJKNJHILYODQET-UHFFFAOYSA-N 309.369 3.794 0 40 DHAB COc1ccc(CCC(=O)NCCSc2ccccc2)cc1 15136732 PBAHPSVCBGXHLP-UHFFFAOYSA-N 315.438 3.536 0 40 DHAB Cc1noc(C(C)C)c1C(=O)NCCSCc1ccsc1 21639928 XRNIMXGFXHEOAS-UHFFFAOYSA-N 324.471 3.831 0 40 DHAB COc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1OC 22905637 ZRQKUNRQTTWUGY-UHFFFAOYSA-N 306.387 3.536 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)C[C@H](C)c3ccccc3)ccc21 24969397 WGTNENJDOCWMCU-AWEZNQCLSA-N 322.408 3.728 0 40 DHAB Cc1cc(C(=O)COC(=O)c2cc(Cl)c[nH]2)c(C)n1C(C)C 25198829 LZTPFMYGVNUWSL-UHFFFAOYSA-N 322.792 3.707 0 40 DHAB Cc1ccc(C)c(CSc2ccc(C(=O)NC3CC3)cn2)c1 32779170 CBDNPRRDPDSKHT-UHFFFAOYSA-N 312.438 3.883 0 40 DHAB O=C(N[C@@H]1CCSc2ccccc21)Nn1cnc2ccccc21 32795056 SJEHNJUHXNEDQD-CYBMUJFWSA-N 324.409 3.527 0 40 DHAB Cc1csc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)n1 32826755 QZNKTKXHCPPLRB-UHFFFAOYSA-N 318.789 3.747 0 40 DHAB C[C@@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@H]12 33860448 SZKJPNYYJWKGMH-UJFJXTSXSA-N 306.446 3.686 0 40 DHAB CC[C@H]1CCCCN1S(=O)(=O)c1cccc2ccccc12 35685888 GFELUIXUIYGAGH-HNNXBMFYSA-N 303.427 3.793 0 40 DHAB CCOc1ccc(NC(=O)CCn2ncc3ccc(C)cc32)cc1 40758964 HDFUQOFMMYVOLG-UHFFFAOYSA-N 323.396 3.772 0 40 DHAB CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(C)on2)s1 43013726 ZTVSGVFBGVYLJM-CYBMUJFWSA-N 319.430 3.678 0 40 DHAB CCCCCCNC(=O)Nc1ccc(OC)c(OC(F)F)c1 43995616 IXRBKFIMECVPLU-UHFFFAOYSA-N 316.348 3.998 0 40 DHAB C[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccccn1 44892314 JOGWAPPOUGUULJ-GXTWGEPZSA-N 301.415 3.751 0 40 DHAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1cccc(F)c1 45889012 LGICWGXVHLICFN-UHFFFAOYSA-N 315.373 3.887 0 40 DHAB COc1ccc(CN(C)C(=O)N[C@@H](C)Cc2ccsc2)cc1 50167801 GGPFSQXPFYNEJU-ZDUSSCGKSA-N 318.442 3.529 0 40 DHAB c1ccc(C[C@@H]2CCCN2Cc2noc(-c3ccccc3)n2)cc1 55505313 WKRVFIQOHUMCLF-SFHVURJKSA-N 319.408 3.944 0 40 DHAB FC(F)(F)c1cccc(-c2nnn(CCc3ccccc3)n2)c1 58030751 NFFXLYAEMLFSMG-UHFFFAOYSA-N 318.302 3.602 0 40 DHAB CCN(C[C@H]1CCOC1)C(=O)C[C@@H](C)CCc1ccccc1 58405146 GJSDUVSYGMAZNF-FUHWJXTLSA-N 303.446 3.530 0 40 DHAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(F)c1 62093908 GSHQMDOWAUJMSK-UHFFFAOYSA-N 324.355 3.762 0 40 DHAB CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1 68590933 NQRUYCVWCPVFIP-IRXDYDNUSA-N 318.461 3.512 0 40 DHAB in-vitro CN(C)c1ccc(NC(=O)CCc2ccc3ccccc3c2)nc1 71186430 ALEIQCHMJWIJOJ-UHFFFAOYSA-N 319.408 3.872 0 40 DHAB CC(C)n1cc(CCCC(=O)Nc2ccn(C)n2)c2ccccc21 72405838 FPRCOSZZIGWWOX-UHFFFAOYSA-N 324.428 3.917 0 40 DHAB Cc1csc(N(C(=O)c2ccccc2OC(F)F)C2CC2)n1 76019107 HMRKEHBGJBPGTR-UHFFFAOYSA-N 324.352 3.862 0 40 DHAB COc1cc(Cl)c(C)cc1NC(=O)N(C)[C@@H](C)CSC 77182100 UJZZDPIHJPSFCW-JTQLQIEISA-N 316.854 3.872 0 40 DHAB CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1sc(C)nc1C 78768550 WBRBFJYLXLVMEV-HNNXBMFYSA-N 321.490 3.693 0 40 DHAB CC(C)(C)OC(=O)N1CC[C@H](CSCc2ccncc2)C1 85333623 VGYIFFGPSPATGI-AWEZNQCLSA-N 308.447 3.572 0 40 DHAB O=C(/C=C/c1cccc(O)c1)N1CCC[C@H](Nc2ccccc2)C1 96004360 ALVZUIJFXVYVGT-DXRVJIQQSA-N 322.408 3.509 0 40 DHAB CN(C)C[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 96007674 BKXPATMRYSICGM-QGZVFWFLSA-N 323.440 3.828 0 40 DHAB c1cncc([C@@H]2COC3(CCN(Cc4ccsc4)CC3)C2)c1 96047773 PAPVCEXCIDQGMB-KRWDZBQOSA-N 314.454 3.682 0 40 DHAB Cc1ccc2c(c1)OCCC[C@@H]2NCc1nccn1CC(C)C 96478384 BOLNKYCKBLDIAD-KRWDZBQOSA-N 313.445 3.851 0 40 DHAB O[C@H](COc1ccccc1Br)c1ccccc1F 97139535 GIPSVWRLIPZORM-CYBMUJFWSA-N 311.150 3.701 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4cccc(Cl)c4)C[C@H]1CC[C@@]23C 101780187 CQZAMSSVBQSDID-HSHDSVGOSA-N 305.805 3.874 0 40 DHAB O=C(Nc1cccc(N2CCCCC2=O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105722062 VALSOPNGTWRRRR-GRDNDAEWSA-N 312.413 3.578 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2ccccc2F)cc1Cl 224191743 UYBMBUAZSIDEQH-UHFFFAOYSA-N 321.779 3.525 0 40 DHAB CCC[C@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 224853907 ZWWGGLVVMJCJJL-ZDUSSCGKSA-N 316.401 3.588 0 40 DHAB COC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1 225476932 GIOIVEUPHAOWLY-UHFFFAOYSA-N 310.275 3.818 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cccc(C)c1 225579972 LWLLGEMVIBXQJX-KRWDZBQOSA-N 319.518 3.936 0 40 DHAB CO[C@@H](CNC(=O)c1cc(C)cs1)c1ccc(Cl)s1 225700339 WTOTXOILXVSIKR-VIFPVBQESA-N 315.847 3.889 0 40 DHAB CO[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccc(Cl)s1 225700467 NYVCJLHEJJIAHC-RSPDNQDQSA-N 321.829 3.919 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 240067798 SCHKXYRFWOUKFL-XGZVRMHOSA-N 323.521 3.842 0 40 DHAB Cc1oncc1C(=O)N[C@@H](C)Cc1csc2ccccc12 575621827 VGJGKKFUETZLLN-JTQLQIEISA-N 300.383 3.559 0 40 DHAB CCN1C(=O)N(c2cccc3ccccc23)[C@@](C)(O)CC1(C)C 262596 XZAGGIGPGKZWSH-IBGZPJMESA-N 312.413 3.979 0 40 DHAB c1ccc(-c2nnc3c4c5c(sc4ncn23)CCCC5)cc1 351577 WPOMYHMEEYKBJP-UHFFFAOYSA-N 306.394 3.885 0 40 DHAB COc1cc(C(=O)Oc2ccc(Cl)cc2)cc(OC)c1OC 358994 LGKVWHVTYJQVQR-UHFFFAOYSA-N 322.744 3.585 0 40 DHAB CC[C@@H](C)NC(=O)c1sc2nc3cc(C)ccc3cc2c1N 412196 CKDZXFGBDHMPBJ-SNVBAGLBSA-N 313.426 3.868 0 40 DHAB COc1cc(NC(=S)NCCC(C)C)c(OC)cc1Cl 477721 UZFXYEHRNAZWQO-UHFFFAOYSA-N 316.854 3.690 0 40 DHAB CCOC(=O)Oc1ccc(Br)cc1Br 1692354 DQHDUYRALBXZKR-UHFFFAOYSA-N 323.968 3.747 0 40 DHAB COc1cccc(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1OC 1711319 RENOGJSUOODSNX-ZBFHGGJFSA-N 318.413 3.985 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)s1 3217277 CKRYSNYTBZFEHL-UHFFFAOYSA-N 323.801 3.814 0 40 DHAB COc1ccc(OC)c(NC(=O)c2c(F)cccc2Cl)c1 3314328 ZERKTXKJLGOBGQ-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB Cc1ccc(-c2csc3ncnc(NCCN(C)C)c23)cc1 3346730 IJKQKKJIJUNBLQ-UHFFFAOYSA-N 312.442 3.640 0 40 DHAB CC(=O)c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 3500059 QLQGEBQAJAFCEX-UHFFFAOYSA-N 303.745 3.560 0 40 DHAB Cc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1 5541148 CIHDKAAZVDNFKS-UHFFFAOYSA-N 305.377 3.843 0 40 DHAB O=C(Nc1c(F)cc(F)cc1Br)C1CCCC1 6542116 MDSKBBIWDUZJET-UHFFFAOYSA-N 304.134 3.856 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1 6651363 VJXCGMWUQKILSK-CQSZACIVSA-N 311.406 3.879 0 40 DHAB COc1ccc([C@H](C)NC(=O)CCc2ccccc2)cc1OC 6763496 VUUYUSWIZOKLSS-AWEZNQCLSA-N 313.397 3.514 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)Nc1nc2c(s1)CCCC2 6967132 BRNPUJWGGDZHEL-UHFFFAOYSA-N 311.410 3.684 0 40 DHAB O=C(CNc1cccc(Br)c1)Nc1cccc(F)c1 7953263 HFYIWTFRMAXUPP-UHFFFAOYSA-N 323.165 3.639 0 40 DHAB CNCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 8377130 YBIRIMADSJWJCO-UHFFFAOYSA-N 313.228 3.953 0 40 DHAB NC(=O)c1cccc(NC2c3ccccc3-c3ccccc32)c1 8780346 CTNKWKBEGBKYDB-UHFFFAOYSA-N 300.361 3.967 0 40 DHAB C[C@@H](NC(=O)CSC1=Nc2ccccc2CS1)C1CC1 8942363 CBGRKZQGCOYLQC-SNVBAGLBSA-N 306.456 3.569 0 40 DHAB CCOC(=O)c1c(C)n(C)c2c(C)ccc(Br)c12 9372402 JWVFXPSRQUQVOJ-UHFFFAOYSA-N 310.191 3.734 0 40 DHAB C[C@@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccc1 9467628 ITTHKZHBMWXSBG-UONOGXRCSA-N 307.397 3.934 0 40 DHAB Cc1ccc(C)c(SCc2cc(=O)n3c(C)csc3n2)c1 9613795 CWDJKWXMPPDPPT-UHFFFAOYSA-N 316.451 3.974 0 40 DHAB Cc1ccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1 10084170 VJQSXNFGDFCVKO-UHFFFAOYSA-N 314.410 3.966 0 40 DHAB CC(C)(C)c1ccc(OCc2nnc(S)n2C2CC2)cc1 11692614 GFRMGZBJVVIKAP-UHFFFAOYSA-N 303.431 3.778 0 40 DHAB O=C(c1cccs1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12116155 NWIQJKJDPPXDFY-CQSZACIVSA-N 311.410 3.992 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)cc1 12933127 OOVSRCPGHGCJAM-QGZVFWFLSA-N 301.411 3.521 0 40 DHAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2Cl)cc1 13178440 IPLZJWBGHILOKW-OAHLLOKOSA-N 317.772 3.594 0 40 DHAB CC(C)[C@]12CC[C@](C)(O1)[C@@H](Oc1cccc(Cl)c1CN)C2 13401042 XDWGFIVVEJQCFN-YESZJQIVSA-N 309.837 3.914 0 40 DHAB COc1cccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)c1 13672318 SKSIKZNPCNGCQR-UHFFFAOYSA-N 310.397 3.572 0 40 DHAB O=C(Cc1cccc(F)c1)N[C@@H]1CCSc2ccc(F)cc21 15199574 FKEKNHNLSHQVBE-OAHLLOKOSA-N 319.376 3.861 0 40 DHAB COc1ccccc1CN(C)C(=S)Nc1ccc(C)cc1 16313934 QGZWFRFMDLLRFT-UHFFFAOYSA-N 300.427 3.832 0 40 DHAB Clc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19788319 XLOBFAUBASFTED-RYRKJORJSA-N 316.876 3.670 0 40 DHAB COc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20141187 PENUPPHOQCSTRF-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB CC(=O)c1ccccc1OCCn1cnc2cc(C)c(C)cc21 22817835 IPRZQNZBMYHAEN-UHFFFAOYSA-N 308.381 3.935 0 40 DHAB O=C(C1CC1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 22896463 VKLODXQWKVROLP-UHFFFAOYSA-N 316.357 3.972 0 40 DHAB O=C(Nc1nc2c(s1)CCC2)c1cc2cc(F)ccc2[nH]1 25769465 KSQMOOVRAWTHDG-UHFFFAOYSA-N 301.346 3.505 0 40 DHAB COC(=O)c1ccoc1CSc1nc2cc(F)c(F)cc2[nH]1 27080966 AMNDPLSSPIMIKU-UHFFFAOYSA-N 324.308 3.513 0 40 DHAB COc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28303961 JZLGKXZYQXJQMQ-OAHLLOKOSA-N 320.392 3.977 0 40 DHAB C[C@H](CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1 35287330 GDOPUQCTURWFRZ-LLVKDONJSA-N 311.212 3.946 0 40 DHAB Cc1cc(NC(=O)c2csc(-c3ccccc3)n2)sn1 38680595 PDBKYKWKWMSIGQ-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB O=C1CCc2cc(C(=O)Nc3cccc4c3CCCC4)ccc2N1 40012167 WYZRWCWUYHDNHF-UHFFFAOYSA-N 320.392 3.702 0 40 DHAB Cc1ccc(NC(=O)c2cccnc2N(C)C)cc1C(F)(F)F 42857898 VIJUHSYPMYHVCO-UHFFFAOYSA-N 323.318 3.727 0 40 DHAB CCC[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1 48223111 KEQITQHGPFPRPP-KRWDZBQOSA-N 320.396 3.539 0 40 DHAB CCC(C)(C)NC(=O)c1cnn(Cc2ccccc2Cl)c1 48324288 WMOKPCNRHBNKFX-UHFFFAOYSA-N 305.809 3.503 0 40 DHAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(OC2CCCC2)cc1 49546168 NZCHMCLOVHSTSY-OAHLLOKOSA-N 311.385 3.865 0 40 DHAB O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCCCC1 58330385 ZCVRZVLGWKLDCX-ZIAGYGMSSA-N 308.219 3.565 0 40 DHAB O=C(Oc1ccc2ccccc2c1)c1ccc(-n2cccn2)nc1 58406583 GBGQXUIUXJEYGH-UHFFFAOYSA-N 315.332 3.640 0 40 DHAB O=C1COc2ccccc2CN1Cc1ccccc1C(F)(F)F 67323759 GMALYIRZNLDLSI-UHFFFAOYSA-N 321.298 3.627 0 40 DHAB CCn1nc(C)cc1C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 69441890 MHPZMUSSYLCXHE-UHFFFAOYSA-N 324.384 3.736 0 40 DHAB CCn1ncc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)c1C 71282577 JIDUVWUZMNJVSM-CYBMUJFWSA-N 313.405 3.647 0 40 DHAB CN(C)C(=O)CCCCN1Cc2ccccc2-c2ccccc2C1 71904299 ZOPFLEBFTSMSSC-UHFFFAOYSA-N 322.452 3.928 0 40 DHAB C[C@@H](CNC(=O)c1cscn1)c1c(Cl)cccc1Cl 78483310 HBQHNFLFOHYKEX-QMMMGPOBSA-N 315.225 3.983 0 40 DHAB O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccc2cc[nH]c2c1 78823545 QEURKXFTBDDPSQ-UHFFFAOYSA-N 302.337 3.810 0 40 DHAB Cn1ccc2c(C(=O)Nc3cccc4ncccc34)cccc21 79483387 NGVBGXIDOPJKEV-UHFFFAOYSA-N 301.349 3.979 0 40 DHAB CCn1c([C@H]2CCCN2Cc2c(C)noc2C)nc2ccccc21 83840195 RFHJJFRNRXHJPP-GOSISDBHSA-N 324.428 3.998 0 40 DHAB CC(C)[C@H](CNC(=O)c1ccc2c(c1)COC2)Nc1ccccc1 84410387 CHBGSNFNONEVHH-IBGZPJMESA-N 324.424 3.583 0 40 DHAB O=C(Nc1ccc2c(c1)CCO2)N1CC[C@@H](c2ccccc2)C1 84525517 SDGUZHAJFATZBO-MRXNPFEDSA-N 308.381 3.643 0 40 DHAB Cc1csc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)n1 89705529 XPWNYVXSFBCTRT-KGLIPLIRSA-N 320.845 3.567 0 40 DHAB Cc1nc(CN(C)C2CCN(c3cccc(F)c3)CC2)cs1 95405159 SYIMPBWBBNNOOX-UHFFFAOYSA-N 319.449 3.691 0 40 DHAB C[C@H](CNC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccncc1 95409990 GOQOESCFHYILMN-KGLIPLIRSA-N 313.401 3.713 0 40 DHAB CCc1cnccc1CNC(=O)Cc1cccc2ccccc12 95466139 QMHONMSTLPWWOL-UHFFFAOYSA-N 304.393 3.656 0 40 DHAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3nccnc3c2)c1 95469668 XTPZXRZSPMTIJG-UHFFFAOYSA-N 321.380 3.885 0 40 DHAB Cc1cc([C@@H](C(N)=O)c2ccc(Cl)cc2)c(Cl)cc1N 95921796 VBIICLHCTBGREM-AWEZNQCLSA-N 309.196 3.501 0 40 DHAB C[C@H]1CCO[C@@H]1C(=O)N1CCCSc2ccc(Cl)cc21 95971636 FSGXRBVGOHVBSD-HZMBPMFUSA-N 311.834 3.594 0 40 DHAB Cc1ccc(-c2ocnc2C(=O)OCc2scnc2C)cc1 96441906 OQLHGJBQWPZQGG-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB Fc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2Cc2ccncc2)cc1 100113083 VQWMKTDYCZUVSX-VDZJLULYSA-N 312.388 3.653 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4ccccc4Cl)C[C@@H]1CC[C@]23C 103918272 WIDATBMHYFSJTN-UQCMEYCASA-N 305.805 3.874 0 40 DHAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccccc1 113968797 ZBAUHFMQQZLUDW-QGZVFWFLSA-N 313.397 3.559 0 40 DHAB COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@](C)(O)[C@@H]2O)C1 118930682 JDNSLVADAHWSEE-BOQPXBONSA-N 318.457 3.565 0 40 DHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCC1 223829387 UMQIVPKGKAINQM-SFHVURJKSA-N 301.430 3.782 0 40 DHAB Cc1ccc(CNC(=S)Nc2ncc(C)cc2Cl)cc1 223942321 FAVDGJNEMZNIHJ-UHFFFAOYSA-N 305.834 3.838 0 40 DHAB CCc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 224685732 ZJNCEARWUOEXFS-UHFFFAOYSA-N 303.427 3.773 0 40 DHAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cccs1 225135598 FNRLQHOXTYTHOD-UHFFFAOYSA-N 309.456 3.889 0 40 DHAB Fc1ccccc1NC(=S)NC1(c2cccnc2)CCCC1 225850903 DDTCRDWTOINJPE-UHFFFAOYSA-N 315.417 3.977 0 40 DHAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCCc2ccccc21 254379677 FPTCJJAESGOLQE-SDNTUTLCSA-N 300.471 3.717 0 40 DHAB COC(=O)CCCCC(=O)c1ccc(OC)c(C(F)(F)F)c1 575360169 GIQBNMIWPSPKMV-UHFFFAOYSA-N 318.291 3.630 0 40 DHAB C[C@@H]1C(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C[C@H]1C 106088 BQFAPGKABHKJDF-KGLIPLIRSA-N 317.392 3.945 0 40 DHAB COc1cc([C@@H]2Nc3ccccc3S2)cc(OC)c1OC 137226 LSUGLCUGZKOMBJ-MRXNPFEDSA-N 303.383 3.929 0 40 DHAB CC[C@@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 217200 LJXFGFOGKAXHSX-CYBMUJFWSA-N 305.381 3.825 0 40 DHAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(F)cc1 241635 ANDGMNRUCHKTML-UHFFFAOYSA-N 301.342 3.780 0 40 DHAB Cc1cc2ncn(S(=O)(=O)c3ccc(Cl)cc3)c2cc1C 283149 ILIPYKUTNPUOEX-UHFFFAOYSA-N 320.801 3.544 0 40 DHAB Cc1cccc(C(=O)Nc2cc(C)nn2-c2cccc(F)c2)c1 1427031 XCGSMBNKVHIMCD-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB Fc1ccc([C@@H]2C[C@H](C(F)(F)Cl)n3nccc3N2)cc1 2766623 NRRGYTCDQCVTCU-WDEREUQCSA-N 301.699 3.952 0 40 DHAB Cc1ccc2oc([C@]3(C)Cc4ccccc4C(=O)O3)cc(=O)c2c1 3491361 QVAJJEOVLXIZID-FQEVSTJZSA-N 320.344 3.730 0 40 DHAB Cc1ccccc1NC(=O)CCc1nc(-c2ccccc2C)no1 5556378 LQADWNBRHGQOOF-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB O=c1cc(CSc2ccccn2)c2cc3c(cc2o1)CCC3 5622367 WCXYARDYILOQFP-UHFFFAOYSA-N 309.390 3.969 0 40 DHAB COC(=O)[C@H](C)Sc1nc(C)nc2sc3c(c12)CCCC3 6113758 FMBBBEYDKPMMID-QMMMGPOBSA-N 322.455 3.532 0 40 DHAB Cc1sc2nc(/C=C/c3cccc(F)c3)[nH]c(=O)c2c1C 6650705 CRGRTPYNTPGYDM-VOTSOKGWSA-N 300.358 3.911 0 40 DHAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 7312145 PHNSXNJZHRTSLV-LBPRGKRZSA-N 319.401 3.804 0 40 DHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[C@@H]1C=CCC1 7824812 PLEFIEDKJSKFFR-QGZVFWFLSA-N 323.440 3.521 0 40 DHAB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)NC1CC1 7977369 OGPPGVVNZCSRFE-JTQLQIEISA-N 304.440 3.569 0 40 DHAB Cc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 7984247 BZCVWAOXBWJVIZ-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB Cc1ccc(-n2nc(C(=O)O)nc2-c2ccccc2)cc1Cl 8730863 LIEDBKCHPIVORA-UHFFFAOYSA-N 313.744 3.594 0 40 DHAB Cc1cc2nc(NCCOc3ccccc3)c3ccccc3n2n1 8824882 ZPJPBDOBGRLTGK-UHFFFAOYSA-N 318.380 3.682 0 40 DHAB CC(C)(C)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11902489 QYFSIFHGFLTIFL-UHFFFAOYSA-N 317.389 3.730 0 40 DHAB Cc1cc2ccccc2n1CC(=O)NCC1(c2ccccc2)CC1 12528221 HUKWRNZXKAJUMH-UHFFFAOYSA-N 318.420 3.798 0 40 DHAB Cc1ccc(O)c(C(=O)Nc2ccc(-c3coc(C)n3)cc2)c1 12552205 GQIKVIXWLJGCLX-UHFFFAOYSA-N 308.337 3.916 0 40 DHAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2Cl)cc1 13178443 IPLZJWBGHILOKW-HNNXBMFYSA-N 317.772 3.594 0 40 DHAB Oc1ccc(-c2csc(NCCc3ccccc3)n2)c(O)c1 14184492 BHIFXJINYNKVFO-UHFFFAOYSA-N 312.394 3.876 0 40 DHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ncccc12 14791853 VVQXSDXWXRQVEE-GFCCVEGCSA-N 310.328 3.780 0 40 DHAB CCOc1ccc2[nH]c3c(N4C[C@@H](C)C[C@@H](C)C4)ncnc3c2c1 17748253 XWAYJNMEZYADDT-BETUJISGSA-N 324.428 3.992 0 40 DHAB Cc1cccc([C@]2(O)CCC[C@@H]3CN(Cc4ccncc4)C[C@@H]32)c1 19234490 WZKXWNXCIGMSRI-HLAWJBBLSA-N 322.452 3.510 0 40 DHAB Cc1nc(COc2ccccc2)sc1C(=O)N1CCCCC1 20428124 DANFMGVWQCJNHI-UHFFFAOYSA-N 316.426 3.657 0 40 DHAB COc1ccc2nc(C)c(C(=O)N[C@H]3CCCC[C@H]3C)cc2c1 25767524 MZCVRRJRXJOISL-PXAZEXFGSA-N 312.413 3.860 0 40 DHAB O=C(O)c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 26443167 OPBDWPOALWEYCM-UHFFFAOYSA-N 300.701 3.755 0 40 DHAB Cc1nc(CC(=O)N(C)[C@H]2CCCc3ccccc32)cs1 32481005 NISUYYSDZWQLLR-INIZCTEOSA-N 300.427 3.530 0 40 DHAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc(O)nn2)cc1 32996163 RVZPCDTUCBIXNI-UHFFFAOYSA-N 321.336 3.535 0 40 DHAB COC(=O)C[C@@]1(C/C=C(\C)CCC=C(C)C)CC(=O)CCC1=O 36375444 WGJMLCQUIUJDCK-JVVYVMHDSA-N 320.429 3.941 0 40 DHAB biogenic,in-vitro C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccccc2C(C)(C)C)C1 37530377 VMQLBGCPIVMCQJ-ZACQAIPSSA-N 319.489 3.702 0 40 DHAB C[C@H]1CCCCN1C(=O)COc1cc(Cl)ccc1Cl 40159014 RKKOKISMOZIXGI-JTQLQIEISA-N 302.201 3.773 0 40 DHAB Cc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cc1 45221572 KNCPOFKVPWWDPL-UHFFFAOYSA-N 320.421 3.946 0 40 DHAB Brc1cncc(Oc2cnc3ccccc3n2)c1 70488612 HQSPNRBSDKAFDQ-UHFFFAOYSA-N 302.131 3.580 0 40 DHAB Cc1cccc2c1cnn2CCCNC(=O)Nc1ccccc1 71196054 AAXKMTOQLCNSMP-UHFFFAOYSA-N 308.385 3.557 0 40 DHAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1cccs1 71870453 YEGIBBZXAWFRQE-SJORKVTESA-N 320.502 3.546 0 40 DHAB C[C@H](S[C@H](C)C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 77398934 DLTNIZMZGCHTJJ-VHSXEESVSA-N 305.365 3.976 0 40 DHAB CN(Cc1cc(Cl)cn1C)C(=O)c1cc2c(s1)CCCC2 79097680 ZJCIFKAXZPPQNO-UHFFFAOYSA-N 322.861 3.891 0 40 DHAB Cc1cc(/C=C/C(=O)Nc2cn[nH]c2)c(C)n1C1CCCCC1 84079572 NGEFOLYWIOXOOG-CMDGGOBGSA-N 312.417 3.985 0 40 DHAB CN(Cc1cc2ccccc2o1)C(=O)NCCc1cccc(O)c1 89350841 AGLNMNQZQAWIPN-UHFFFAOYSA-N 324.380 3.523 0 40 DHAB CSC1(CN[C@@H](C)c2cc3ccccc3o2)CCOCC1 90113114 SSCYXXBXNPWKLU-ZDUSSCGKSA-N 305.443 3.996 0 40 DHAB CCOc1cc(CO)c(Cl)cc1OCc1ccccc1F 95095056 NFKVPDJQOBCUQO-UHFFFAOYSA-N 310.752 3.949 0 40 DHAB Cc1cccc(Oc2ccc(NC(=O)N(C)[C@@H](C)CO)cc2)c1 95454876 SCDFZAYQNSEHAO-AWEZNQCLSA-N 314.385 3.632 0 40 DHAB CCSc1ccc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)cn1 95978404 VOOZUPBROAVCAU-SNVBAGLBSA-N 318.446 3.666 0 40 DHAB Cc1cc(NCc2cccc3cn[nH]c23)ccc1C(=O)NC(C)C 97235455 QEIOHFPEMHCODV-UHFFFAOYSA-N 322.412 3.622 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccnc2ccccc12 100189418 JFJSCFXWVWMKMH-YWZLYKJASA-N 316.408 3.595 0 40 DHAB CC(C)(C)NC(=S)N[C@@H]1C[C@@H]2C[C@@H]1[C@H]1Cc3ccccc3[C@H]21 103992394 UGPHHVPJAMOOPF-HCVDEJBSSA-N 314.498 3.614 0 40 DHAB C[C@H](NC(=O)OC(C)(C)C)c1ncc(Br)cc1F 147118989 HKXACTQRBSSCDB-ZETCQYMHSA-N 319.174 3.569 0 40 DHAB O=C(C[C@H]1CCCOC1)N1CCSc2ccc(Cl)cc21 193479077 ZDZRGBGHABNIMK-LLVKDONJSA-N 311.834 3.595 0 40 DHAB COC(=O)c1cn(C(=O)Cc2ccc(C)cc2)c2ccccc12 222618115 HAYIHJLPZGJLJW-UHFFFAOYSA-N 307.349 3.619 0 40 DHAB CCn1cc(OCc2csc(COc3ccccc3)n2)cn1 225710165 UJHFFJONHBFGGZ-UHFFFAOYSA-N 315.398 3.518 0 40 DHAB CCOC(=O)COc1ccc(NC(=O)C2(C)CCCCC2)cc1 225945775 RUCYVWMYFZNLEH-UHFFFAOYSA-N 319.401 3.537 0 40 DHAB Cc1cc(CCC(=O)N2CC[C@H](OCC3CC3)C2)ccc1Cl 390829365 DVHKJEFOQVMFPJ-INIZCTEOSA-N 321.848 3.609 0 40 DHAB COc1ccccc1-c1nnc(CO[C@H]2CCC[C@@H](C)C2)o1 521393849 XVONGWYEGAKBDE-OLZOCXBDSA-N 302.374 3.841 0 40 DHAB O=C(c1ccc(Cl)cc1)N1CC(c2cnc3ccccc3n2)C1 1593889783 QEFMRNCJKBSYGX-UHFFFAOYSA-N 323.783 3.523 0 40 DHAB O=C(OCc1ccccc1)c1c(Cl)sc2nnsc12 385825 VAJMLOLAVATXGL-UHFFFAOYSA-N 310.787 3.763 0 40 DHAB CCNC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccc(C)o1 1016868 PDLGWEMTTNFEIV-HNNXBMFYSA-N 313.426 3.634 0 40 DHAB Cc1cc2ncc(-c3ncc(C(F)(F)F)cc3Cl)cn2n1 1391609 MADVGTOBEDITFO-UHFFFAOYSA-N 312.682 3.772 0 40 DHAB CCCCSc1nnc2c(n1)O[C@H](CC)Nc1ccccc1-2 2092824 FPGOBUMPYDFKDZ-CYBMUJFWSA-N 316.430 3.971 0 40 DHAB CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCCC4)CC1 2439121 PJXCYAXLHCQAPZ-UHFFFAOYSA-N 311.425 3.904 0 40 DHAB biogenic COc1ccc(C2=NC[C@@H](CSc3ccccn3)S2)cc1 2659542 PJYUXQBTJUWYMR-AWEZNQCLSA-N 316.451 3.745 0 40 DHAB Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)c1 2713248 AYILOTBHXVLCOH-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB Fc1ccc(NC(=S)N2CCC[C@@H](C(F)(F)F)C2)cc1 3330986 OKHUAFDEEKCOQZ-SECBINFHSA-N 306.328 3.797 0 40 DHAB CC(C)[C@@H]1O[C@H]([C@H]2OCC(C)(C)[C@@H](C(C)C)O2)OCC1(C)C 5539272 UELHWAGUKCPMNW-SYMSYNOKSA-N 314.466 3.834 0 40 DHAB COc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 5559291 FISZANTVBBVTOQ-GFCCVEGCSA-N 319.788 3.605 0 40 DHAB CC(=O)OCc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 6940604 YUFVTIRIGLOENA-UHFFFAOYSA-N 317.772 3.964 0 40 DHAB C[C@H](O)CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7524712 IHWHFSQVJXLOJS-VIFPVBQESA-N 300.185 3.724 0 40 DHAB CC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1 8162381 CZIUKQWZMQUWLZ-KRWDZBQOSA-N 301.361 3.780 0 40 DHAB COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C 8315109 SVZBRBQBMJLVMX-CAOSSQGBSA-N 318.461 3.827 0 40 DHAB CCOC(=O)c1sc(C)c2c1NC1(CCCCC1)N=C2O 8742808 PERIKTJXFIUHBJ-UHFFFAOYSA-N 308.403 3.624 0 40 DHAB Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1C 8792890 CNWHQIMXUQJZHP-UHFFFAOYSA-N 307.444 3.908 0 40 DHAB CCOc1ccccc1-c1cc(=O)c2ccc(NC(C)=O)cc2o1 9660282 AYYPUWXZVXRXID-UHFFFAOYSA-N 323.348 3.817 0 40 DHAB biogenic CCOC(=O)c1cnc(SC)nc1Nc1c(C)cccc1C 11907760 KEUFLECIPAWRAM-UHFFFAOYSA-N 317.414 3.736 0 40 DHAB Cc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)s1 12615222 FAHIWJOSKITSBX-UHFFFAOYSA-N 314.414 3.943 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccc(N2CCCCC2=O)cc1 12821534 MVVIZBUQVQOJHL-UHFFFAOYSA-N 312.344 3.595 0 40 DHAB Cc1cc(CS[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)no1 12847169 ZJUOTNMBVKMVLT-GFCCVEGCSA-N 316.426 3.732 0 40 DHAB COc1ccccc1[C@H](CCNC1CCN(C)CC1)C(C)C 13684581 FOSREHFWSIFXJJ-QGZVFWFLSA-N 304.478 3.509 0 40 DHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1 14138533 SBIAHCBOIYGQRB-UHFFFAOYSA-N 320.396 3.811 0 40 DHAB Cc1ccc2c(c1)CCCN2C(=O)COc1ccc(C)c(C)c1 14423476 RWDARCPGEIMHAR-UHFFFAOYSA-N 309.409 3.970 0 40 DHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 20462225 JHJYSWTZHCIYGY-LLVKDONJSA-N 305.324 3.933 0 40 DHAB Cc1nc(C)c(-c2cc(C(=O)NC3CCCCCC3)[nH]n2)s1 23125544 QBQBUQYMYPFMPR-UHFFFAOYSA-N 318.446 3.603 0 40 DHAB C[C@@H]1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(F)cc2)[C@@H]1C 31002193 RMCQFOGBBKNGBI-IOASZLSFSA-N 307.409 3.924 0 40 DHAB CC(=O)c1ccc(OCc2noc(-c3ccsc3)n2)cc1 31676018 VXQUKHUIJUWAQM-UHFFFAOYSA-N 300.339 3.580 0 40 DHAB O=C(c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 41543925 GXMUDWKDBJHGNF-UHFFFAOYSA-N 309.409 3.782 0 40 DHAB CC(C)Oc1cccc(CNC(=O)CSc2ccccc2)c1 46655510 NSOPVSHODCKUGR-UHFFFAOYSA-N 315.438 3.882 0 40 DHAB COc1cccc(C(=O)Nc2ccc(OC(C)C)cc2)c1OC 49226617 ATHMPJWKUXMZAS-UHFFFAOYSA-N 315.369 3.743 0 40 DHAB Cc1ccc2ccccc2c1NC(=O)CNCc1ccccc1 57462898 XVTXLJBTLPGVFK-UHFFFAOYSA-N 304.393 3.877 0 40 DHAB COCc1c(C(=O)N2CCc3ccccc3C2)oc2ccccc12 57992775 PYWUBAOLIPYNHT-UHFFFAOYSA-N 321.376 3.778 0 40 DHAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H]1c1ccccn1 58232574 WATOFAHMRPIBPA-HNNXBMFYSA-N 322.742 3.991 0 40 DHAB Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2c(=O)[nH]1 60741417 IDTIXILRVHEWOG-UHFFFAOYSA-N 312.756 3.742 0 40 DHAB O=C(Cc1cccc(O)c1)Nc1ccc2oc(C3CC3)nc2c1 63537885 KPZHEWXGIGGVAC-UHFFFAOYSA-N 308.337 3.592 0 40 DHAB CCCCC(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 65622202 CADNSQREXVTLIV-CQSZACIVSA-N 316.357 3.684 0 40 DHAB Cc1c(NC(=O)C2CCOCC2)cccc1OC1CCCC1 69951480 OBVROELNMUBIQB-UHFFFAOYSA-N 303.402 3.682 0 40 DHAB O=C(c1cccc2ccccc12)N1CCC2(CC1)OCCS2 70637239 ZHXHAJFEKDLYKJ-UHFFFAOYSA-N 313.422 3.536 0 40 DHAB Cn1c([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)nc2ccccc21 71839182 KSPUAIWBYFDURB-PBHICJAKSA-N 309.413 3.593 0 40 DHAB Cc1nc(CC(=O)Nc2cc(-c3ccccc3)ns2)cs1 71911332 NHEZGPWZTWQUTC-UHFFFAOYSA-N 315.423 3.756 0 40 DHAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nccs2)cc1 72272086 OTKJRIJMZJLQSW-HNNXBMFYSA-N 300.427 3.748 0 40 DHAB Cc1ccc(-c2nnc(-c3cc4ccccc4oc3=O)o2)s1 72332489 QHPRKFPLPMHNBX-UHFFFAOYSA-N 310.334 3.880 0 40 DHAB O=C(N[C@H]1CCCOc2c1ccc(Cl)c2Cl)N1CCC1 84339169 PUMVXYCEQRYEHD-NSHDSACASA-N 315.200 3.622 0 40 DHAB Fc1ccc(NCC2=CCCOC2)c(OCC(F)(F)F)c1 89793427 PLLZPHIXQHSVEW-UHFFFAOYSA-N 305.271 3.525 0 40 DHAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2N[C@H]1CCN2CCC[C@@H]2C1 89857754 OTWPDRCIRATEGQ-JZXOWHBKSA-N 312.457 3.649 0 40 DHAB CSc1ccccc1NCc1nnc(-c2ccccc2)n1C 90371160 MREQPRBSHLHLMJ-UHFFFAOYSA-N 310.426 3.816 0 40 DHAB CS[C@@H](C)CN[C@@H](C)c1ccc(F)c(Br)c1 90726014 OEXZSQPHTPQBBX-IUCAKERBSA-N 306.244 3.990 0 40 DHAB Cc1cc([C@@H](C)NC(=O)N2CCc3cc(F)ccc3C2)c(C)o1 91710292 GHYZOKXUHHDCFE-GFCCVEGCSA-N 316.376 3.864 0 40 DHAB O=C(NCCSC1=Nc2ccccc2CS1)C1CCCC1 95411691 GCOZNVRWDACCBV-UHFFFAOYSA-N 320.483 3.961 0 40 DHAB Cc1cccc2c1ccn2CCNC(=O)c1ccc2cc[nH]c2c1 95475327 GMMLCPFQYBIWRW-UHFFFAOYSA-N 317.392 3.861 0 40 DHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)c1nccs1 95959978 YKKLTQLRRGTOQF-JTQLQIEISA-N 324.833 3.615 0 40 DHAB CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C(=O)OC 100300383 QSTBODVXYSWBJW-NQBHXWOUSA-N 321.442 3.780 0 40 DHAB CCN(CC)c1c(Br)cc(N)cc1Br 143055853 FAUXAHWKLYNASQ-UHFFFAOYSA-N 322.044 3.640 0 40 DHAB O=C(NCC1=CCCCC1)c1ccc(CN2CCCCC2)cc1 224095427 FUAZWDPTHWGUFM-UHFFFAOYSA-N 312.457 3.903 0 40 DHAB Cc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c(Cl)c1 225001589 YSHDFEZANFGHKA-GASCZTMLSA-N 322.880 3.746 0 40 DHAB Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cn2c(n1)CCC2 566255963 DKDCRIIHXQJCDQ-SFHVURJKSA-N 311.429 3.607 0 40 DHAB c1ccc2c(CNCc3ccc4c(n3)CCCC4)ccnc2c1 571846695 MLVLUXWHNXMSLO-UHFFFAOYSA-N 303.409 3.798 0 40 DHAB O=C(c1cccc(OC(F)(F)F)c1)C(F)(F)Br 575359155 SVCRRLIDMWRBNN-UHFFFAOYSA-N 319.023 3.756 0 40 DHAB Cc1cccc(C)c1NC(=O)N1CCCC[C@H]1[C@H](C)CN(C)C 583651154 IFZQQOUOKNKASK-SJORKVTESA-N 317.477 3.888 0 40 DHAB C[C@](O)(CNC(=O)Nc1ccccc1Cl)Cc1ccsc1 618255100 KVXOGSSFGOVHBJ-OAHLLOKOSA-N 324.833 3.517 0 40 DHAB O=C(CCc1ccccc1)NCC(c1ccco1)c1ccco1 675007852 VFDXNPVQKHAUJQ-UHFFFAOYSA-N 309.365 3.754 0 40 DHAB Fc1ccc2nc(Nc3cnn(-c4ccncc4)c3)sc2c1 1559095104 OAVLDTXTCSXEAO-UHFFFAOYSA-N 311.345 3.760 0 40 DHAB Nc1cc2sc(-c3ccc(C(=O)O)cc3)nc2cc1Cl 246176 MBSXRVKTJQALIC-UHFFFAOYSA-N 304.758 3.897 0 40 DHAB Cc1cc(C(=O)N2CCc3ccccc32)c2cc(F)ccc2n1 544372 BFVWWCZCYHAJBI-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB CCCC[C@@H](N)CCCNc1cc(OC)cc2cccnc12 1666879 SQEGRDNMFLTUEA-OAHLLOKOSA-N 301.434 3.953 0 40 DHAB O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCCc2ccccc21 3258424 MVOJHBQEGYMADK-KAUXGEHWSA-N 313.422 3.654 0 40 DHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 3582793 CHZIXIJCUWCWQB-UHFFFAOYSA-N 324.302 3.660 0 40 DHAB COC(=O)[C@@H](C)c1cccc([C@H](c2ccccc2)n2ccnc2)c1 3777867 YRSBGQIQVSGCJT-KXBFYZLASA-N 320.392 3.797 0 40 DHAB in-man C[C@H]1CC[C@@](C)(C(=O)COC(=O)Cc2ccccc2)C1(C)C 3846157 YBVCFOOQPVLIPF-LIRRHRJNSA-N 302.414 3.804 0 40 DHAB biogenic O=C(c1ccco1)N1CCN=C1SCc1cccc(Cl)c1 4120633 WAJDAHDPXVCUDY-UHFFFAOYSA-N 320.801 3.678 0 40 DHAB Cc1ccc(CN2C(=O)S[C@H](Nc3ccccc3)C2=O)cc1 4151304 WMLJWOVTJNPGAJ-HNNXBMFYSA-N 312.394 3.629 0 40 DHAB CC(C)[C@H]1CC[C@@](C)(C(=O)OCc2ccc3c(c2)OCO3)C1 4410505 SORXWZCCEBTRKW-KBXCAEBGSA-N 304.386 3.921 0 40 DHAB CCCc1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1 5261281 YMFLQZWDXWYAMX-UHFFFAOYSA-N 312.413 3.723 0 40 DHAB CCOC(=O)c1sc(NC(=O)CCc2ccccc2)cc1C 5512723 HXXBIPMIFPGGRE-UHFFFAOYSA-N 317.410 3.805 0 40 DHAB O=C(CCc1ccccc1)NCCOc1cccc2ccccc12 5872066 IBBSDUJDGWLIKW-UHFFFAOYSA-N 319.404 3.968 0 40 DHAB Clc1ccc(CNc2ccccc2N2CCOCC2)cc1 5933953 XSOXDFPYPKYIRW-UHFFFAOYSA-N 302.805 3.789 0 40 DHAB COc1cccc(-c2nc3sc4ccccc4c3c(=O)[nH]2)c1O 6381776 UWQKDSUQYTYYFD-UHFFFAOYSA-N 324.361 3.519 0 40 DHAB C[C@H](NS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1 6651358 VJXCGMWUQKILSK-AWEZNQCLSA-N 311.406 3.879 0 40 DHAB COC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 6651817 VLJZYWRVPXEEGY-UHFFFAOYSA-N 320.801 3.895 0 40 DHAB C[C@@H](Sc1ncccn1)c1nnc(-c2ccc(F)cc2)o1 6986842 NRNRHGKBCNQUEQ-SECBINFHSA-N 302.334 3.519 0 40 DHAB CC[C@H](C)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 7057609 IDRPILLJTYVIQF-JTQLQIEISA-N 308.403 3.606 0 40 DHAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(Br)cc1 7645511 UOCAERPFJPAZKX-SNVBAGLBSA-N 324.243 3.931 0 40 DHAB COc1ccc(-c2csc(N(C)C)n2)cc1Br 7845085 NCHKVNANKGYDCH-UHFFFAOYSA-N 313.220 3.647 0 40 DHAB CCCOc1ccc2nc(C)c(CN(CC)CC)c(O)c2c1 8717128 LAKWNLLYHXUICN-UHFFFAOYSA-N 302.418 3.879 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 8718697 CTOYONZUZJXGJW-UHFFFAOYSA-N 322.364 3.858 0 40 DHAB biogenic CC[C@H](C)[C@@H](N)c1nnc(SC/C=C/c2ccccc2)o1 8770222 VIEBUZXMVFCQDC-AUYLWLBISA-N 303.431 3.921 0 40 DHAB CC(=O)c1c(-c2ccccc2)c2c(=O)[nH]c3ccccc3n2c1C 9009463 FIVWMUXPSUACCV-UHFFFAOYSA-N 316.360 3.959 0 40 DHAB O=C(Nc1ccncc1)c1cc2cc(Br)ccc2o1 9060867 NHCWMLXIGAQHPK-UHFFFAOYSA-N 317.142 3.843 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)no1 10028838 RRQSAMKUOWKTIM-VIFPVBQESA-N 319.411 3.712 0 40 DHAB COc1ccc(OCCC(=O)Nc2cccc3cccnc23)cc1 12749860 QYVOGDZEWUUNFO-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 13669192 ZYYDCDULBPKYDX-LBPRGKRZSA-N 303.333 3.630 0 40 DHAB Cc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 14229048 OURLHVWQUSDSJB-UHFFFAOYSA-N 307.378 3.955 0 40 DHAB COc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)no2)cc1 20896724 KJHMAEBQHWSFLH-UHFFFAOYSA-N 309.321 3.878 0 40 DHAB CCc1ccc(OCC(=O)Nc2ccc3oc(C)nc3c2)cc1 24969731 MANJPLVNIHKSNK-UHFFFAOYSA-N 310.353 3.716 0 40 DHAB Cc1nc(COC(=O)c2c(F)cccc2F)nc2ccccc12 25372578 KFCLUGZLUHIMEP-UHFFFAOYSA-N 314.291 3.573 0 40 DHAB CCOc1ccccc1C(=O)Nc1ccnn1Cc1ccccc1 28403668 ZLMWDBCZXFWBLE-UHFFFAOYSA-N 321.380 3.582 0 40 DHAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C)c2)CC1=O 29677216 DBRMUYLLSOLEKK-INIZCTEOSA-N 322.408 3.549 0 40 DHAB O=C(Cc1cccs1)NCCOc1ccc2ccccc2c1 30447205 WJRDROUUVQGRKQ-UHFFFAOYSA-N 311.406 3.639 0 40 DHAB Cc1noc(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 32674608 JDCMNCDWOKKFSV-JTQLQIEISA-N 306.793 3.755 0 40 DHAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(F)ccc1F 32930650 SVLBZRZBWHXYAM-JTQLQIEISA-N 309.743 3.979 0 40 DHAB CCCOc1ccccc1OCC(=O)c1cc(C)n(C)c1C 32958190 PNEUXGZBXXXCOV-UHFFFAOYSA-N 301.386 3.692 0 40 DHAB Cc1ccc2nc3c(c(C(=O)NCc4ccco4)c2c1)CCCC3 32973877 SXBDORNQLFEQML-UHFFFAOYSA-N 320.392 3.945 0 40 DHAB C[C@@H](CCc1ccco1)NC(=O)NCCCc1ccccc1 40067902 LWYGADAZUXTODX-HNNXBMFYSA-N 300.402 3.533 0 40 DHAB Cc1ncsc1C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 40107458 UKGORCVFUDSUIF-HZMBPMFUSA-N 316.426 3.973 0 40 DHAB COC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1 41081538 SNWGEHUZEPCGTK-UHFFFAOYSA-N 321.174 3.562 0 40 DHAB Cc1ccsc1C(=O)N(C)Cc1ccc(Br)o1 41395999 DQWFXQNYFWEUKO-UHFFFAOYSA-N 314.204 3.684 0 40 DHAB O=C(NCc1cccs1)N1CCCCC[C@@H]1c1ccncc1 42838652 MVINYACLAIGDLR-MRXNPFEDSA-N 315.442 3.970 0 40 DHAB CCN(Cc1ccccc1NC(=O)C1CC1)C(=O)OC(C)(C)C 45762150 FOOVDOQSYWQSOK-UHFFFAOYSA-N 318.417 3.792 0 40 DHAB NC(=O)c1cc(-c2ccccc2)cc2cc(C(F)(F)F)[nH]c12 49582177 JXEXLDLTNIVJNS-UHFFFAOYSA-N 304.271 3.953 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1 56324735 XDARGDOASRTCBO-UHFFFAOYSA-N 313.357 3.688 0 40 DHAB Cc1cnn(CC2CC2)c1NC(=O)Cc1ccc2ccccc2c1 58158586 ULWAYKPJMAADQF-UHFFFAOYSA-N 319.408 3.936 0 40 DHAB O=C(CNc1ccccc1Cl)N1CCC[C@H]1c1ccncc1 58330043 SNZCMRLCQCAJJY-INIZCTEOSA-N 315.804 3.511 0 40 DHAB CC(C)Oc1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1 61997173 GOBPOHYEYKJTKN-UHFFFAOYSA-N 314.385 3.801 0 40 DHAB C[C@H](NCc1nc2ccccc2n1C)c1ccc(F)cc1F 66969995 FCOLKADTFPFRFD-NSHDSACASA-N 301.340 3.702 0 40 DHAB C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 71832895 CWACDAOUHIRJHB-CXAGYDPISA-N 300.377 3.696 0 40 DHAB O=C(CCCc1ccccn1)N1CCCC[C@@H]1c1nccs1 72285865 HYXUFWPWLVJLCF-OAHLLOKOSA-N 315.442 3.615 0 40 DHAB CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1cccs1 72288996 LHJYJVREARPJFD-HNNXBMFYSA-N 318.442 3.799 0 40 DHAB CCO[C@@H]1C[C@H](NC(=O)c2cccc3cnccc23)C12CCCC2 73139478 SLCHBBXMDSZWQL-ZWKOTPCHSA-N 324.424 3.702 0 40 DHAB O=C(Nc1c(O)cccc1F)c1csc(-c2ccsc2)n1 89768190 FMGDJCOQSYVADB-UHFFFAOYSA-N 320.370 3.969 0 40 DHAB COc1ccc(C(=O)CC2(CC(=O)O)CCCCC2)cc1OC 95634208 QIADWKDMUXVDSK-UHFFFAOYSA-N 320.385 3.702 0 40 DHAB FC(F)(F)c1ccc(Cl)c(OCCC2OCCCO2)c1 95733705 IUMPIYVCUAROST-UHFFFAOYSA-N 310.699 3.891 0 40 DHAB CCc1nsc(N[C@@H](C)c2nc3ccccc3n2CC)n1 95943711 YLBSLSYWFYPODT-JTQLQIEISA-N 301.419 3.643 0 40 DHAB Cc1cccc(OC2CCN(C(=O)Nc3cccs3)CC2)n1 96119551 IWKMCFODFRELDV-UHFFFAOYSA-N 317.414 3.527 0 40 DHAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)CC[C@@H]1CCCO1 96415378 BSGJPJTYAPLNQM-HYVNUMGLSA-N 319.449 3.522 0 40 DHAB COc1ccc(N[C@@H](C)c2ccccc2)cc1N1CCOC1=O 96437311 FBPKQGICSHWAKW-ZDUSSCGKSA-N 312.369 3.825 0 40 DHAB CCN(Cc1ccoc1)C(=O)N[C@@H](C)c1c(F)cccc1OC 96440870 HLGRKPUUKZRYRE-LBPRGKRZSA-N 320.364 3.720 0 40 DHAB C[C@@H](CSC(C)(C)C)Nc1cccc(N2CCCNC2=O)c1 97046003 HPDOOXQEJGAZQW-ZDUSSCGKSA-N 321.490 3.938 0 40 DHAB Cc1ccc(N2N3C(=O)O[C@]4(C)CC[C@H](C2(C)C)[C@]34C)cc1 102049703 GENIPKLLJWZBFJ-OLMNPRSZSA-N 300.402 3.888 0 40 DHAB COc1ccc(CSCC(=O)Nc2ccc(OC)cc2)cc1 113935275 TXPYHIRZVOWREO-UHFFFAOYSA-N 317.410 3.576 0 40 DHAB O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](c2nccs2)C1 128611826 CRQQSAQPEMJYTF-GFCCVEGCSA-N 314.401 3.675 0 40 DHAB COc1cccc2c1CCC[C@@H]2c1c(O)c2ccccc2oc1=O 220499529 YHPIKLLGAFQUIZ-AWEZNQCLSA-N 322.360 3.975 0 40 DHAB Cc1nc(-c2cccc(COc3ccccc3)c2)ncc1C(=O)O 225327709 GOINSPWRWZVJSQ-UHFFFAOYSA-N 320.348 3.729 0 40 DHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCOC)cc1 225739564 YDVKTTZZUGODPZ-GOSISDBHSA-N 323.433 3.636 0 40 DHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c2ccccc12 225817812 WANXPZBLGRHQFB-SFHVURJKSA-N 301.386 3.992 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 227157191 ZCHMPLMGQSUBAX-UHFFFAOYSA-N 304.777 3.962 0 40 DHAB CCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257238051 HJJISFMRTBMLPZ-INIZCTEOSA-N 316.376 3.868 0 40 DHAB C[C@@H](Cc1noc(-c2cnc3n2CCCC3)n1)c1ccccc1 554822934 APVXOSBRMNVVPM-ZDUSSCGKSA-N 308.385 3.616 0 40 DHAB COc1c2c(nc3ccccc13)O[C@H](C(C)(C)Br)C2 160709 ZDQKYJATGXFLGJ-LBPRGKRZSA-N 322.202 3.720 0 40 DHAB COc1ccc2c(C(=O)CN(C)C3CCCCC3)c[nH]c2c1 542334 YDJJOCDUSSPQRQ-UHFFFAOYSA-N 300.402 3.624 0 40 DHAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(Cl)ccc2O)c1 572121 TVXXFGINMSXOSY-UHFFFAOYSA-N 318.756 3.702 0 40 DHAB CC(C)NC(=O)Oc1ccccc1C(=O)OCc1ccccc1 1752963 DPPUWOXDXNKZGQ-UHFFFAOYSA-N 313.353 3.540 0 40 DHAB CCCN(Cc1ccccc1)C[C@H](O)COc1ccc(C)cc1 2647018 IOUQTZSPYJKWDG-IBGZPJMESA-N 313.441 3.647 0 40 DHAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(C)oc2C)c(C)c1 3250086 JOQBDUZRCFQQET-UHFFFAOYSA-N 315.369 3.617 0 40 DHAB Cc1ccc(NC(=O)COC(=O)/C=C/c2cccs2)c(C)c1 3254909 MMSCOLXRTSITON-SOFGYWHQSA-N 315.394 3.560 0 40 DHAB aggregator Cc1ccn2c(-c3csc(Nc4ncccn4)n3)c(C)nc2c1 4135705 SHZVVYDHOHMUST-UHFFFAOYSA-N 322.397 3.608 0 40 DHAB CC1(C)CCCC2=C1C[C@@H]1C(=O)N(c3ccccc3)NC(=O)[C@@H]1C2 4675061 CTYPHZKNPXLIOK-CVEARBPZSA-N 324.424 3.597 0 40 DHAB COC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 5243399 UALXLLIDPIUZNW-NSHDSACASA-N 318.756 3.941 0 40 DHAB COc1ccc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)nn1 5259562 ASJCONUZUNWWFA-UHFFFAOYSA-N 323.327 3.544 0 40 DHAB CCCCCN(CCCCC)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 5308764 DYNDMDXKLAADIH-TWMKSMIVSA-N 321.461 3.718 0 40 DHAB C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccncc1 5636235 BBWYRQRAVGZNLB-GFCCVEGCSA-N 300.427 3.903 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2F)cc1C 5859611 SZLVEWKTXWEXML-CQSZACIVSA-N 301.361 3.699 0 40 DHAB C[C@H](CNC(=O)COc1ccccc1Cl)c1ccccc1 5861676 QYIGLRPGVBJXQO-CYBMUJFWSA-N 303.789 3.639 0 40 DHAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6316648 MKUMEIITQQLLAQ-UHFFFAOYSA-N 307.390 3.924 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1ccc(OC(F)F)cc1 6342651 ZCJKAPDIJZZEAF-UHFFFAOYSA-N 305.280 3.743 0 40 DHAB CC(C)(C)NC(=O)COc1ccc2oc3c(c2c1)CCCC3 6882463 BAXTZLIRZNYBCC-UHFFFAOYSA-N 301.386 3.605 0 40 DHAB O=C(CCc1ccsc1)NCCCn1ccc2ccccc21 7988019 AKCLVFOOKCIUBQ-UHFFFAOYSA-N 312.438 3.842 0 40 DHAB Cc1cc(=O)oc2cc(OCc3cc(-c4ccco4)on3)ccc12 8006678 SJWATSSEFPYVJY-UHFFFAOYSA-N 323.304 3.928 0 40 DHAB O=C(Cc1ccccc1F)Nc1c(F)c(F)c(F)c(F)c1F 8750619 FDMXULMHXHXPLF-UHFFFAOYSA-N 319.204 3.702 0 40 DHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCC[C@H](C)C1 9061967 RGQWKKSOOKGHHX-VIFPVBQESA-N 322.257 3.722 0 40 DHAB Cc1cc(Cl)ccc1OC[C@H](O)CSc1ccccn1 11692560 DQUPIUHIJRMPOI-ZDUSSCGKSA-N 309.818 3.575 0 40 DHAB O=C1CCCN1c1ccc(CNC2(c3cccc(F)c3)CC2)cc1 12238757 FIFDWKHQVCEXPH-UHFFFAOYSA-N 324.399 3.731 0 40 DHAB O=C(c1ccccc1)C1CCN(Cn2cnc3ccccc32)CC1 12533840 TVFQUCSAXQOIDG-UHFFFAOYSA-N 319.408 3.589 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)c1cnc2c(cnn2C(C)C)c1 12907267 OESKCPSFZDGEGN-CQSZACIVSA-N 322.412 3.812 0 40 DHAB CC(C)NC(=S)Nc1cnn(Cc2cccc3ccccc23)c1 13330792 AGBLLJISSQIRFI-UHFFFAOYSA-N 324.453 3.779 0 40 DHAB C[C@@H](CNC(=O)c1ncoc1-c1cccs1)c1ccccc1 13565396 FSQWOHPHKXLINC-LBPRGKRZSA-N 312.394 3.937 0 40 DHAB CC(C)C(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 14257859 GALBYVAOKZQAHA-CYBMUJFWSA-N 319.474 3.534 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)CCCOc1ccccc1 14396293 JLUKYVUODIRDLB-QGZVFWFLSA-N 311.425 3.983 0 40 DHAB Cc1cccc(CSc2nnc(Cc3ccccc3)c(O)n2)c1 16777190 QZENKQLOOYSKMB-UHFFFAOYSA-N 323.421 3.769 0 40 DHAB CCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccco3)c2c1 17306656 SDRSVVDSCAGSHK-UHFFFAOYSA-N 324.336 3.565 0 40 DHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccccc1Cl 19601050 UTKULHGRVWMOLN-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB CC[C@H](C)N1CCN(Cc2ccccc2C(F)(F)F)CC1 19889627 SUEGNHBVKRMQOH-ZDUSSCGKSA-N 300.368 3.622 0 40 DHAB CCOC(=O)c1ccc(C)c(NC(=O)Cc2ccc(C)cc2)c1 20043967 RZMGXFFFESXMJN-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB OC1=Nc2n[nH]cc2[C@H](c2cccc(Br)c2)SC1 20745302 OZVZUODCNLJMGJ-NSHDSACASA-N 324.203 3.596 0 40 DHAB CCCCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 22533098 CZSFJZJLWQOKJS-MRXNPFEDSA-N 302.462 3.839 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)c(O)c1 31285098 KZNXBHWLZIXIBS-UHFFFAOYSA-N 308.337 3.916 0 40 DHAB Cc1cc(N)nc(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)n1 31745690 SBDRMSZJAPTFPD-ZDUSSCGKSA-N 315.442 3.656 0 40 DHAB O=C(CSc1ccncc1)N[C@H]1CCSc2ccccc21 32340142 XHGLCIRVTBYBRQ-AWEZNQCLSA-N 316.451 3.527 0 40 DHAB Cc1cccc(/C=C/C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 32738365 LRBIPWQACFMHDP-VNDWYCCKSA-N 305.381 3.762 0 40 DHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCc2ccccc2C1 35945777 FVDPMBKMZSQEEX-AWEZNQCLSA-N 304.393 3.797 0 40 DHAB COc1cccc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1OC 36386114 MSANAUHGEBQFEO-SQWLQELKSA-N 319.445 3.577 0 40 DHAB Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1Cl 41091866 CJHRRQYVKVTQSC-HZMBPMFUSA-N 301.839 3.505 0 40 DHAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(F)cc1Cl 44253500 YGDQXTQXDVLYIY-UHFFFAOYSA-N 321.707 3.558 0 40 DHAB C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 45904109 WCCAFFBLEMVGHR-NSHDSACASA-N 317.772 3.602 0 40 DHAB Cc1ncc(COc2ccc(NC(=O)c3ccco3)cc2)s1 48310909 DPZRENXEMHCZFF-UHFFFAOYSA-N 314.366 3.876 0 40 DHAB CC(C)(C)c1nnc(SCCC(=O)Nc2cccc(F)c2)o1 57932919 SWQIDONLELCRKN-UHFFFAOYSA-N 323.393 3.627 0 40 DHAB COc1cccnc1NC(=O)c1ccc(Oc2cccnc2)cc1 58201911 UWLWLMGQNQPCGJ-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB CC(=O)c1c(F)cccc1NC[C@H](O)c1ccc(Cl)cc1 58648681 NVIWPWFBAGKSHF-HNNXBMFYSA-N 307.752 3.827 0 40 DHAB CCOC(=O)c1cnc2ccc(CC)cc2c1N(CC)CC 62719681 LFPFCLMWWXMRPF-UHFFFAOYSA-N 300.402 3.820 0 40 DHAB COc1ccc2c(CC(=O)NC3[C@@H](C)CCC[C@@H]3C)coc2c1 65565471 VDLDACQEEWBNCD-STQMWFEESA-N 315.413 3.925 0 40 DHAB CC(C)[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccc1 69452386 WFRJKMGVNJKSMB-PKOBYXMFSA-N 323.392 3.802 0 40 DHAB CC(C)c1noc(-c2ccc(NC(=O)c3ccncc3)cc2)n1 69596681 FDYGOTLWZFYVAW-UHFFFAOYSA-N 308.341 3.507 0 40 DHAB COc1cc(CN(C)Cc2ncc(-c3ccccc3)o2)ccc1O 69769840 JGSAUKAAHQDAJO-UHFFFAOYSA-N 324.380 3.688 0 40 DHAB Cc1nnc([C@@H](C)Nc2ccc(CCN3CCCCC3)cc2)o1 71902553 SZEQQESBCVGQLX-CQSZACIVSA-N 314.433 3.580 0 40 DHAB CCCN(CC(F)F)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 72304081 WGHPGOZDBNZRRQ-YJBOKZPZSA-N 307.384 3.784 0 40 DHAB Fc1ccc(-c2cc(CNc3ccccc3)c3nnnn3c2)cc1 72392343 BBVVONAICGHWKG-UHFFFAOYSA-N 319.343 3.543 0 40 DHAB COc1ccc(C2(CNC(=O)[C@H]3CC=CCC3)CCCC2)cc1 75170135 QYWZPEWVGZKVSJ-INIZCTEOSA-N 313.441 3.980 0 40 DHAB CC(C)(C)c1ccc(C(=O)NCC[C@H](O)c2cccs2)cc1 77113700 XCEDNYFHRMRQFG-HNNXBMFYSA-N 317.454 3.899 0 40 DHAB OCc1ccc(CN[C@@H]2CCCOc3c2ccc2ccccc32)o1 84056013 VRPKWUSLEYZSAY-LJQANCHMSA-N 323.392 3.929 0 40 DHAB COc1ccccc1-c1cnc(Cn2cnc3ccccc32)o1 89124105 KNZQKFJELNNAOU-UHFFFAOYSA-N 305.337 3.748 0 40 DHAB COC(=O)C1(c2ccc(Cl)cc2Cl)CCC(=O)CC1 90513061 WFAVFMSVJVTQKH-UHFFFAOYSA-N 301.169 3.547 0 40 DHAB CCCC[S@@](=O)Cc1ccc(OC)c(Br)c1 95410038 MIZMNEXMJXSGER-INIZCTEOSA-N 305.237 3.507 0 40 DHAB Cc1nc([C@H](N[C@H]2CCCc3sccc32)c2ccccc2)n[nH]1 95421728 KCQFDRQMUZYEPX-DOTOQJQBSA-N 324.453 3.931 0 40 DHAB CCn1cc(C(=O)Nc2nc(C)c(SC)s2)c(C(C)C)n1 96418272 WUCCOYDGDQMJCH-UHFFFAOYSA-N 324.475 3.766 0 40 DHAB O=C(Nc1ccccc1CCC(F)(F)F)c1ccncc1F 96462302 HSNDFYYQYPXGDN-UHFFFAOYSA-N 312.266 3.968 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccccc2F)C[C@@H](c2ccsc2)O1 96469336 CZFQUCIKKUKQBR-NHYWBVRUSA-N 320.389 3.881 0 40 DHAB CS[C@@H]1CC[C@@H](NC2CCN(Cc3ccccc3)CC2)C1 96478665 HQJSCWFTKZSBSR-QZTJIDSGSA-N 304.503 3.525 0 40 DHAB CC(=O)c1ccc(Br)cc1OCc1cc(C)on1 96482451 HWVOSWGLXWSIBE-UHFFFAOYSA-N 310.147 3.527 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)N[C@H]1C[C@@H]1c1ccccc1F 104491002 PZGHOKMRQSGPRN-PBHICJAKSA-N 308.356 3.901 0 40 DHAB Cc1s/c(=N\C(=O)c2ccccc2)n(C)c1-c1ccccc1 207463641 DQRMJDGRNWZMHL-HNENSFHCSA-N 308.406 3.803 0 40 DHAB CCCOc1ccc(C(=O)n2c(C)c(CO)c3ccccc32)cc1 216958232 GSJAFZPLJYZJBK-UHFFFAOYSA-N 323.392 3.919 0 40 DHAB CCOc1ccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225107157 REPFVRXIQSZRAW-GOSISDBHSA-N 314.381 3.777 0 40 DHAB CCCNC(=O)NCCSCc1ccc(Cl)cc1Cl 225772029 OTCCNXKEMFLBEK-UHFFFAOYSA-N 321.273 3.936 0 40 DHAB CCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c2ccccc12 225813257 IEHDVYZEFCJVCQ-IBGZPJMESA-N 313.397 3.992 0 40 DHAB CC(=O)N[C@@H]1C[C@H](c2ccccc2Cl)O[C@@H]2CCCC[C@@H]12 257325889 WUXGKUBLVDUCKY-RKTXRCNFSA-N 307.821 3.865 0 40 DHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260743721 QDGHNKMRLFRVHL-YQYZPQCESA-N 313.441 3.638 0 40 DHAB CC(C)C[C@@H](C(=O)Nc1nc2c(s1)CCC2)n1cccc1 575443095 GZHSCAGGFRUIKW-ZDUSSCGKSA-N 303.431 3.659 0 40 DHAB Cc1cc([C@@H](C)NC(=O)c2ccnc(C3CC3)n2)c(C)s1 601638213 HFCTZOISVAXLIO-SNVBAGLBSA-N 301.415 3.523 0 40 DHAB O=c1oc2ccc(O)c(-c3ccc(Br)cc3)c2s1 234937 WTOWHTGNKWZOIK-UHFFFAOYSA-N 323.167 3.990 0 40 DHAB O=c1c2ccccc2[nH]c(=S)n1CCc1c[nH]c2ccccc12 2969811 VOLRKHWQZMWRAF-UHFFFAOYSA-N 321.405 3.783 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 3422981 PYHHIMZGGCWRMW-UHFFFAOYSA-N 317.772 3.950 0 40 DHAB Cc1ccccc1-n1cnnc1SCC(=O)c1cccs1 4510306 BBDIISBKYLSLRN-UHFFFAOYSA-N 315.423 3.612 0 40 DHAB C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 4564110 YGGAKHAZLJHTRS-JTQLQIEISA-N 319.357 3.674 0 40 DHAB CCN(CC)c1ncc(-c2nc3cc(Cl)ccc3o2)cn1 5455042 RJEABVZFRNNAET-UHFFFAOYSA-N 302.765 3.784 0 40 DHAB C[C@H](Sc1nc2ccccc2o1)C(=O)N1CCc2ccccc21 5628812 OLMLDIRBHKXGEK-LBPRGKRZSA-N 324.405 3.898 0 40 DHAB CC1(C)[C@H]2CC[C@]1(C)c1c2n(O)c(-c2ccc(Cl)cc2)[n+]1[O-] 5727934 YTLRTAWYZSWHRN-YVEFUNNKSA-N 318.804 3.854 0 40 DHAB CC[C@H](C)[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 6440771 MNDHHXNRWCXHNR-WRWORJQWSA-N 319.188 3.614 0 40 DHAB Clc1ccc(COc2ccc(-n3cnnn3)cc2)c(Cl)c1 7467494 XSGPRVIGGSSWIR-UHFFFAOYSA-N 321.167 3.548 0 40 DHAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H](C)c1ccccc1 7494367 NBHUUVKGXGPVBE-INIZCTEOSA-N 308.425 3.625 0 40 DHAB CCc1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1 9064144 OUIVHYMCTKSCOF-UHFFFAOYSA-N 312.438 3.938 0 40 DHAB Cc1cccnc1-n1c(SC(C)C)nc2ccccc2c1=O 9157210 NEIWDLHRTHYQBY-UHFFFAOYSA-N 311.410 3.590 0 40 DHAB CC[C@H](C)Oc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 9270003 DCUPDPBOZCBVDX-MAZHCROVSA-N 319.401 3.693 0 40 DHAB COc1ccccc1-c1csc(CNC(=O)c2ccccc2)n1 9836372 TYYVMQTUUKLEMU-UHFFFAOYSA-N 324.405 3.749 0 40 DHAB Cc1ccc(CCC2CCN(C(=O)c3ccc(O)nc3)CC2)cc1 10960786 AZFXRGGKBYUJST-UHFFFAOYSA-N 324.424 3.581 0 40 DHAB Cc1n[nH]c(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n1 11658316 IXHMLHRYMDWJSZ-UHFFFAOYSA-N 321.405 3.659 0 40 DHAB COc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 11760369 XLJOVAGWPHKRIT-CYBMUJFWSA-N 316.376 3.737 0 40 DHAB C[C@H]1CCCN(Cc2c(-c3ccncc3)[nH]c3ncccc23)C1 12222023 OSQQIODKZFQJED-AWEZNQCLSA-N 306.413 3.857 0 40 DHAB c1cc(-c2noc(CN3CCC[C@@H]4CCCC[C@@H]43)n2)cs1 12739579 LUWLQDIYACZGME-JSGCOSHPSA-N 303.431 3.953 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 12898231 DFPCUBSLWAHWGF-BFHYXJOUSA-N 320.458 3.795 0 40 DHAB COc1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1OC 14235508 HIVSTOFMEWYVNO-CYBMUJFWSA-N 317.410 3.743 0 40 DHAB COc1ccc(Cl)cc1NC(=O)CNc1ccc(F)cc1 15085686 BMJAZZVCPOFITF-UHFFFAOYSA-N 308.740 3.538 0 40 DHAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccs1 17842042 QNFMIZPVHDKTFH-LLVKDONJSA-N 314.410 3.588 0 40 DHAB C[C@@H](NC(=O)c1cnccn1)c1ccc(-c2ccccc2)cc1 17959879 USCPMKPBDACNAQ-CQSZACIVSA-N 303.365 3.635 0 40 DHAB Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 19214945 VFLILPCQUNABAU-INDMIFKZSA-N 306.409 3.702 0 40 DHAB CCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 21928897 XWJZBNNRZFARKY-MRXNPFEDSA-N 313.397 3.975 0 40 DHAB COc1ccccc1-c1nc(Cl)n(-c2ccc(F)cc2)n1 22125436 YDHROGJYFQQPOH-UHFFFAOYSA-N 303.724 3.735 0 40 DHAB C[C@@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1cc2ccccc2o1 23056066 WOMKQDOVMRBLCK-LLVKDONJSA-N 321.336 3.907 0 40 DHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(OC)cc1 25512978 PSHJEFRXESXOHT-KDOFPFPSSA-N 313.397 3.730 0 40 DHAB Cc1cccc(OC[C@@H](O)CNC(C)(C)CC(C)(C)C)c1C 26780527 YXQRUGPRTLAWME-INIZCTEOSA-N 307.478 3.848 0 40 DHAB C[C@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C[C@@H](C)O1 29736173 QLNWPLRLOMMCDI-BETUJISGSA-N 314.429 3.715 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2Cl)cc1 30848430 HHNGJKFBMQOXFR-CYBMUJFWSA-N 303.789 3.905 0 40 DHAB O=C(Nc1cccc(Oc2ncccn2)c1)c1cccc(F)c1 32027766 NOVXYVUIZDZHLJ-UHFFFAOYSA-N 309.300 3.660 0 40 DHAB Cc1ccc([C@H]2CCCN2CC(=O)NCc2cccs2)cc1 32754408 YCDJKHICHPLNFJ-QGZVFWFLSA-N 314.454 3.510 0 40 DHAB CC(C)c1nnc(-c2ccnc(-c3ccc(C(=O)O)cc3)c2)o1 32918987 LHBZMSJRQNKWBH-UHFFFAOYSA-N 309.325 3.620 0 40 DHAB C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1cnc2ccccc2n1 33235252 UGGBBVUCZHMEEG-LXKVQUBZSA-N 323.421 3.924 0 40 DHAB CC(=O)c1nnc(-c2ccc(C)cc2)n1Nc1ccc(C)cc1 36649177 SBBNRPJGWPWYGP-UHFFFAOYSA-N 306.369 3.640 0 40 DHAB C[C@@H]1CCCN(CCCCNC(=O)c2cc3ccccc3o2)C1 46991011 HYJNRLKNNHFHOL-OAHLLOKOSA-N 314.429 3.675 0 40 DHAB CC(C)n1ncc2cc(NC(=O)N[C@@H](C)c3ccccc3)cnc21 48064090 SXAHEZWWDUAFPU-ZDUSSCGKSA-N 323.400 3.895 0 40 DHAB Cc1cc(OC(C)C)ccc1NC(=O)NCCc1nccs1 51617469 NBNZBFBTOVRNBR-UHFFFAOYSA-N 319.430 3.603 0 40 DHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCCCCC1 54584045 ZCUBNYPPQRORBW-UHFFFAOYSA-N 316.376 3.816 0 40 DHAB Cc1noc(C)c1[C@@H](C)C(=O)NCC1(c2ccccc2)CCC1 58226519 KPGQVOCCQBZFRQ-CYBMUJFWSA-N 312.413 3.633 0 40 DHAB Cc1n[nH]c(C)c1NC(=O)c1csc(-c2ccccc2F)n1 64291727 YEUAAZOBFYINIT-UHFFFAOYSA-N 316.361 3.541 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)o1 72297478 DQMVYLALFWZXET-ZDUSSCGKSA-N 304.415 3.681 0 40 DHAB C[C@H](CC(=O)NCC[C@@H](O)c1ccccc1)C1CCCCC1 72303079 RXSWPEMAVGZALA-CRAIPNDOSA-N 303.446 3.833 0 40 DHAB Fc1ccccc1-c1nc2cnccn2c1NCc1ccco1 72341881 VAQDDJPIJSGGES-UHFFFAOYSA-N 308.316 3.741 0 40 DHAB C[C@H]1c2cccn2CCN1C(=O)/C=C/c1ccnc2ccccc12 75140580 TXXKDRPERISGOO-HVHJFMEUSA-N 317.392 3.653 0 40 DHAB O=C(NCC[C@@H](O)c1ccccc1)c1ccccc1C(F)(F)F 81254252 NVJWKVMAQWNTOD-OAHLLOKOSA-N 323.314 3.559 0 40 DHAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 84714633 XDUMUDSOHQQVSQ-DCGLDWPTSA-N 320.864 3.638 0 40 DHAB O=C(c1cc(C2CC2)on1)N1CC[C@H]1c1ccc(Cl)cc1 89783402 CXNUSROCFWLERA-AWEZNQCLSA-N 302.761 3.793 0 40 DHAB CC[C@@H](C)Sc1ccc(NC(=O)N[C@H]2CCOC2)c(C)c1 89942336 JWRSQZPRBAKZEO-OLZOCXBDSA-N 308.447 3.796 0 40 DHAB Cc1c(C(=O)N2CC3(CCCCC3)C2)cnn1Cc1ccccc1 96004265 BLVNEYDKUVDTDE-UHFFFAOYSA-N 323.440 3.646 0 40 DHAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)N1c1ccccc1 96056615 JQNYKFFYIBZMMY-IAGOWNOFSA-N 312.438 3.518 0 40 DHAB O=Cc1cn(Cc2cc3c(cc2Cl)OCO3)c2ccccc12 96295157 CIKKBONKKIUCNG-UHFFFAOYSA-N 313.740 3.884 0 40 DHAB C[C@H](NC(=O)/C=C/c1ccnc2ccccc12)c1cccnc1 96410012 RNVGJOFGSOIFKQ-VFNNOXKTSA-N 303.365 3.520 0 40 DHAB COc1ccc(NC(C)=O)c(NCc2cc(C)ccc2OC)c1 96453403 GWMWIWXCQVYPLT-UHFFFAOYSA-N 314.385 3.583 0 40 DHAB FC(F)(F)c1cccnc1CN[C@@H]1CCCC[C@H]1n1cccn1 97034998 PSEFAMJHVCYWPT-UKRRQHHQSA-N 324.350 3.570 0 40 DHAB Cc1ccc(C)c(SCC(=O)Nc2cccc3c2OCO3)c1 97082864 DCAFARPNACNSOA-UHFFFAOYSA-N 315.394 3.763 0 40 DHAB CC(=O)Nc1cccc(NC(=O)CSCC2CCCC2)c1 97138529 LGUBLKOIZSOWOH-UHFFFAOYSA-N 306.431 3.507 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1cn(C)c2ccccc12 100189493 HSFDAADITFXNSR-YWZLYKJASA-N 318.424 3.539 0 40 DHAB COCCn1c(C(=O)O)cc2c1c1ccccc1n2C(C)C 105577425 CYBFIMRWDDQJSH-UHFFFAOYSA-N 300.358 3.522 0 40 DHAB CCC(=O)N[C@@H]1CCCN([C@H](C)CCSc2ccccc2)C1 107363546 DLGNDWTWKHHPGJ-HZPDHXFCSA-N 320.502 3.548 0 40 DHAB COC(=O)[C@H](C(C)C)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223213074 ZQQPMXRHTNQWET-BBRMVZONSA-N 319.445 3.985 0 40 DHAB Cc1cccc(NC(=O)NCc2ccc(-c3ccco3)nc2)c1 225753188 PMYJBHQGSAQYRL-UHFFFAOYSA-N 307.353 3.972 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1C[C@H](C)C[C@@H](C)C1 248188923 JMGJDVRKPVEILW-ZJPYXAASSA-N 319.489 3.918 0 40 DHAB Cc1ccccc1C(=O)Oc1c(C)cc(/C=C/C(=O)O)cc1C 256049581 ANPNEXINNBRFAE-CMDGGOBGSA-N 310.349 3.929 0 40 DHAB Cc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)ncn1 257305619 SQUVQKKVLPISRV-UHFFFAOYSA-N 319.364 3.762 0 40 DHAB COc1ccc(-c2nnc(SC(=O)c3ccccc3)o2)cc1 408692678 SALGGHHUZACIML-UHFFFAOYSA-N 312.350 3.678 0 40 DHAB CCCc1sc(NC(C)=O)nc1-c1cc(OC)ccc1OC 408825078 ACIXFELRSUHDOO-UHFFFAOYSA-N 320.414 3.738 0 40 DHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2cnncc2c1 408977826 KCYWHOQVMZKTJM-UHFFFAOYSA-N 317.270 3.901 0 40 DHAB CC(C)CCc1ccc(NCC2(CS(C)(=O)=O)CC2)cc1 538703577 XZXRBHJQZYASBC-UHFFFAOYSA-N 309.475 3.512 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccco2)o1 575607745 CAEORVPDQSTLJN-ZDUSSCGKSA-N 311.337 3.623 0 40 DHAB Cc1ccc(S(=O)(=O)c2cc(C)nc(-c3ccccc3)n2)cc1 1889148873 DTKFBDHWPQDGOK-UHFFFAOYSA-N 324.405 3.593 0 40 DHAB O=C(CSc1cccc[n+]1[O-])c1cc(Cl)sc1Cl 159578 KZORMSKZMMHUIP-UHFFFAOYSA-N 320.222 3.663 0 40 DHAB Cc1cc(Br)cnc1NC(=S)Nc1ccccc1 405851 ZGSQDBFHJFKDRA-UHFFFAOYSA-N 322.231 3.961 0 40 DHAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1OCC 505330 FKHHCTOXCFNFBP-CQSZACIVSA-N 313.397 3.975 0 40 DHAB CCOc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 529751 IDUAWZLXAWJPAX-UHFFFAOYSA-N 316.430 3.700 0 40 DHAB Cc1cc(Br)ccc1S(=O)(=O)c1ccccc1 1641121 OJNHPSZKKXOKBB-UHFFFAOYSA-N 311.200 3.590 0 40 DHAB CC/C(=C(\CC)c1ccc(C(N)=O)cc1)c1ccc(C(N)=O)cc1 1699481 QWAJJHAKEUTHMI-ZCXUNETKSA-N 322.408 3.615 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2764879 LTLKMXQNLMKDRK-OAHLLOKOSA-N 309.818 3.770 0 40 DHAB Cc1cccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCCC3)c1 2974647 ONXNSWKRWJJPEM-NRFANRHFSA-N 321.444 3.645 0 40 DHAB O=C(COc1ccccc1F)OCc1c(F)cccc1Cl 3285987 AWSPRMDEHYSSMZ-UHFFFAOYSA-N 312.699 3.740 0 40 DHAB COc1ccc(OC)c(NC(=O)c2nc3ccccc3s2)c1 3329273 HCYYWVBTDUAGMX-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB C[C@@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 4310267 BVAHUPJKKPLIFL-ZCFIWIBFSA-N 304.202 3.688 0 40 DHAB O[C@H](CNC1CCCC1)COCCC12CC3CC(CC(C3)C1)C2 4320493 SCYMQUHOVOMRRN-OFGIBPIPSA-N 321.505 3.503 0 40 DHAB Cn1c(-c2ccc(Cl)cc2)cnc1NC(=O)c1ccccc1 4678711 BGLTWXGXMDMUIG-UHFFFAOYSA-N 311.772 3.993 0 40 DHAB C[C@H](NC(=O)C(C)(Cl)Cl)C12CC3CC(CC(C3)C1)C2 5577384 GIXFLVCLBSOLMW-RXOVYUGGSA-N 304.261 3.901 0 40 DHAB O=C(O)c1ccccc1C(=O)O[C@H]1C[C@H]2CC3(CC3)[C@@H]1C21CC1 5583829 SPLOOJZSTBSGKD-TUKIKUTGSA-N 312.365 3.510 0 40 DHAB COc1ccc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc1 6249552 ICPFSMMDEZHKKD-INIZCTEOSA-N 311.425 3.765 0 40 DHAB O=C(NC1CCCCCC1)c1cccnc1SC(F)F 6788023 LWJPWNMOSFLECV-UHFFFAOYSA-N 300.374 3.849 0 40 DHAB COc1ccccc1/C=C/C(=O)NCCc1ccc(Cl)cc1 8085056 RDKVDVBUTKMQJV-DHZHZOJOSA-N 315.800 3.721 0 40 DHAB O=C1C/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1ccccc1 9134940 IHADTWZWMDCFTM-RAXLEYEMSA-N 302.333 3.515 0 40 DHAB Cc1cc([C@H]2NC(=O)c3ccccc3N2)cc(C)c1OC(F)F 9884539 YRDJSVNEWUVTFE-OAHLLOKOSA-N 318.323 3.759 0 40 DHAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)OCCCO2 11690666 MYMQPDDJKPBRDE-UHFFFAOYSA-N 303.745 3.754 0 40 DHAB Cc1nc2c(c(SCCCOc3ccccc3)n1)CCC2 12016936 VLJHFVVUFSWAGR-UHFFFAOYSA-N 300.427 3.835 0 40 DHAB Cc1cccc(-c2nnc(SCCc3ccncc3)n2C)c1 12534721 SVEIJQSEGXGHJO-UHFFFAOYSA-N 310.426 3.520 0 40 DHAB CSc1cccc(NC(=O)CN(C)Cc2ccsc2)c1 12756195 DOULAMSOHXCTHI-UHFFFAOYSA-N 306.456 3.541 0 40 DHAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1cccc(Cl)c1 12774863 NXHFZTQRGPJCJS-GFCCVEGCSA-N 322.861 3.538 0 40 DHAB Cc1ccc(C)c(C(=O)Nc2ccc(N3CCCCC3)nc2)c1 12788526 MLKNIFMBTSVKBA-UHFFFAOYSA-N 309.413 3.941 0 40 DHAB C[C@H](Sc1ccccc1C(=O)O)C(=O)Nc1cccc(F)c1 12812165 NLKARPYZNPBNSC-JTQLQIEISA-N 319.357 3.643 0 40 DHAB C/C=C/c1ccc(OCC(=O)NCC2CCCCC2)c(OC)c1 13000693 VIGUICUYTJEMEA-XVNBXDOJSA-N 317.429 3.804 0 40 DHAB Cc1cccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)n1 13014223 JMFMWTFRQQIHPZ-UHFFFAOYSA-N 311.385 3.627 0 40 DHAB CCc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 13789258 AWDAMUIYJOTHSJ-UHFFFAOYSA-N 300.383 3.787 0 40 DHAB COc1cccc(C(=O)c2oc3ccc(NC(C)=O)cc3c2C)c1 15729441 FTLUDNWUJBUMTR-UHFFFAOYSA-N 323.348 3.939 0 40 DHAB COc1ccc2nc(SCC(=O)c3ccc(F)cc3)[nH]c2c1 16227780 IQCGXEKAKWIHQO-UHFFFAOYSA-N 316.357 3.686 0 40 DHAB C[C@H]1CCCC[C@H]1N1CCN(CCCc2ccccc2)CC1 19367631 ZZAVOYQAGLDQDC-AZUAARDMSA-N 300.490 3.816 0 40 DHAB COc1ccccc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19570329 OIRNSLPNOXITLK-MRXNPFEDSA-N 321.424 3.951 0 40 DHAB Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccccc1Cl 19736103 MMRBYEJQNRXZEU-LLVKDONJSA-N 304.777 3.637 0 40 DHAB Cc1cc(C)c(NC(=O)c2nnn(-c3ccccc3)c2C)c(C)c1 19910892 BHOKFVBDYFVTRZ-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1 21596420 YYSRBCQALBNPDL-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB COc1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 27662336 FCXACFPDSQQEQP-UHFFFAOYSA-N 318.376 3.937 0 40 DHAB CCCc1ccc(OCC(=O)Nc2nc(C)c(C)s2)cc1 27755477 KOJXGZGKDZKOEI-UHFFFAOYSA-N 304.415 3.730 0 40 DHAB CCOCc1ccccc1CNC(=O)c1ccc(Cl)s1 30179500 FCJZTODJYZJPNX-UHFFFAOYSA-N 309.818 3.868 0 40 DHAB COc1ccc(NC(=O)c2c(C)noc2-c2ccccc2)cc1 32624560 QKHUSGNPDNMIDW-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)c(O)c(C)c2)C1=O 33616603 SJLLYVVYHVSNAI-ZWSXMNCCSA-N 305.399 3.844 0 40 DHAB O=C1c2ccccc2C(=O)N1c1ccc(-c2nccs2)cc1 36108775 WWUDFEQIRWCDKL-UHFFFAOYSA-N 306.346 3.611 0 40 DHAB COC(=O)C(C)(C)[C@H]1c2ccccc2C=C[C@H]1C(=O)C(C)C 38337863 BUFRYSGUOPRCSR-CVEARBPZSA-N 300.398 3.838 0 40 DHAB CC1CCN(c2c(Cl)cc(N)cc2Br)CC1 45885826 KBDQYZVRYSYHBA-UHFFFAOYSA-N 303.631 3.921 0 40 DHAB O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCC1 47339428 PGWMDSGMURYYMP-UHFFFAOYSA-N 322.408 3.745 0 40 DHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(OC)nc1 58135536 QQRCUEFGHMNYGO-ZWKOTPCHSA-N 324.424 3.889 0 40 DHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1sccc1C 58227885 UCSGAMRSKBZAMT-UHFFFAOYSA-N 308.790 3.921 0 40 DHAB CC(C)(C)c1ccc2cc(C(=O)NO[C@H]3CCCCO3)[nH]c2c1 62581561 OOQBRABPLCSXED-INIZCTEOSA-N 316.401 3.653 0 40 DHAB COc1ccc(Cl)cc1C(=O)NCCSC(C)(C)C 66739313 KEJWGVABGOUZDT-UHFFFAOYSA-N 301.839 3.610 0 40 DHAB Cc1nc(C(C)(C)C)sc1C(=O)NOCc1ccccc1 69350761 RPWMKAXTWCRJLL-UHFFFAOYSA-N 304.415 3.611 0 40 DHAB C[C@H](NCc1csc(-c2ccsc2)n1)[C@H](C)n1cccn1 69372526 YXEKXFUUSREJKH-RYUDHWBXSA-N 318.471 3.807 0 40 DHAB CCN(C(=O)c1sc(-c2ccc(F)cc2)nc1C)C1CC1 69374602 HKDIBNVTDCCHIY-UHFFFAOYSA-N 304.390 3.882 0 40 DHAB CC(C)(NC(=O)C1CCOCC1)c1c(Cl)cccc1Cl 69452745 YDPAVRVISWVAOV-UHFFFAOYSA-N 316.228 3.771 0 40 DHAB C[C@H](OCC1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 71899770 RRIRDLBMZDSEEP-ZDUSSCGKSA-N 312.369 3.628 0 40 DHAB CC(C)(C)OC(=O)NCCCC(=O)c1cnc2ccccc2c1 72219553 GUJMRBYWARXPHU-UHFFFAOYSA-N 314.385 3.722 0 40 DHAB CC(C)C(=O)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 72384720 KKJWXQNJCXJRQF-ZDUSSCGKSA-N 316.430 3.601 0 40 DHAB CC(C)c1[nH]c2ncccc2c1CN(C)CCc1ccccn1 72393722 DUEYORLYTJYQMP-UHFFFAOYSA-N 308.429 3.756 0 40 DHAB C[C@H](OC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2n1C 76093115 HVYHMUBURGLRFL-AWEZNQCLSA-N 320.392 3.909 0 40 DHAB CN1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 82334776 KLPMBJORBKCSRC-VIFPVBQESA-N 320.742 3.639 0 40 DHAB CCc1ocnc1C(=O)N(CC(F)F)c1cccc(Cl)c1 84806168 PRTOMQJPAVZUGI-UHFFFAOYSA-N 314.719 3.802 0 40 DHAB Nc1ccccc1-c1nc(-c2cccc(OC(F)F)c2)no1 89262371 XCGMORMLVFFUKV-UHFFFAOYSA-N 303.268 3.587 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NCc2nc(C3CC3)cs2)c1 90459073 QXRLAHNBPFWNRD-LLVKDONJSA-N 315.442 3.830 0 40 DHAB Cc1cc(F)ccc1CN(C)Cc1ccc([S@](C)=O)cc1 93712567 QEGKOSRYVOUKCH-OAQYLSRUSA-N 305.418 3.504 0 40 DHAB c1ccc([C@@H]2NC(c3cccnc3)N[C@H]2c2ccccc2)cc1 95864407 PIERABFKEOQDML-OALUTQOASA-N 301.393 3.756 0 40 DHAB CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C1CC=CC1 95960926 KDONBSMJUBZFDP-UHFFFAOYSA-N 302.374 3.938 0 40 DHAB COc1ccc(NC(=O)N2CCC(Cl)=C(Cl)C2)cc1 95996464 RXYNJNHMAYISEV-UHFFFAOYSA-N 301.173 3.622 0 40 DHAB C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 100055264 XNBAAZXHOCDGQL-VIXWNIIDSA-N 322.191 3.695 0 40 DHAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1cccc(F)c1 107504862 RVJQIQFQXDVDQY-LBTNJELSSA-N 318.436 3.513 0 40 DHAB CC(C)Oc1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1 216957934 PDFNNAJUMBFNEH-UHFFFAOYSA-N 323.348 3.815 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCCc2ccccc21 219571492 LIOQLWMQVQARCA-QGZVFWFLSA-N 313.372 3.963 0 40 DHAB Cc1ccc(CC(=O)Nc2nnc(SCC(C)C)s2)cc1 224123166 ILRGVZVIMNNTDA-UHFFFAOYSA-N 321.471 3.776 0 40 DHAB O=C(Cc1ccc(Cl)cc1F)NCCCc1ccccc1 224959653 HGTYARINHBSFDK-UHFFFAOYSA-N 305.780 3.771 0 40 DHAB CCOc1cc(Br)cc(C(=O)O)c1OCC(C)C 225282008 AMUJCZZNGAJFKM-UHFFFAOYSA-N 317.179 3.581 0 40 DHAB CCOc1ccc(CNC(=S)Nc2ccc(F)cc2)cc1 225430005 ZGBZATPGMIVDGR-UHFFFAOYSA-N 304.390 3.711 0 40 DHAB Cc1ccsc1C(=O)N1CCC[C@@H](Cc2ccccn2)C1 257275282 NORBSMHFFVJIRW-AWEZNQCLSA-N 300.427 3.546 0 40 DHAB CC(=O)N[C@]1(C)C[C@H](c2cccc(O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257278448 OCIBKVWOADFHGU-RRARJMIVSA-N 317.429 3.553 0 40 DHAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1 257287614 PQSKNBMMGICVSO-INIZCTEOSA-N 323.396 3.760 0 40 DHAB CCCC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CC 257325668 WTXYYRBSIKQTTF-PVYRDQNTSA-N 307.478 3.913 0 40 DHAB CCCN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409348471 SUYPMCCVGKJLCG-UVTDQMKNSA-N 305.399 3.920 0 40 DHAB O=C(COc1ccccc1)c1ccc(Br)c(F)c1 575243228 VIQOEOYFPSTYBT-UHFFFAOYSA-N 309.134 3.850 0 40 DHAB CCOC[C@H]1CCN(Cc2cc3nc(Cl)ccc3s2)C1 583651053 GBHBAMCNSQPULA-NSHDSACASA-N 310.850 3.808 0 40 DHAB C[C@H]1Cc2ccccc2N(C(=O)C2=Cc3cc(F)ccc3OC2)C1 1520970321 WLYDFCLRINPPEF-ZDUSSCGKSA-N 323.367 3.827 0 40 DHAB O=C(O)c1cnc(Cl)nc1Nc1cccc(C(F)(F)F)c1 1542984498 BICHEIUVSWSVHR-UHFFFAOYSA-N 317.654 3.591 0 40 DHAB Cc1cc(Cl)ccc1NC(=O)c1ncnc2c1CCCC2 1888860129 HPOPQGCNPSMBKZ-UHFFFAOYSA-N 301.777 3.570 0 40 DHAB Cc1ccccc1Cc1nnc2sc(-c3ccccc3)nn12 384958 MYYLFSWZGQYGFF-UHFFFAOYSA-N 306.394 3.752 0 40 DHAB CNc1cc(CSc2ccccc2)nc(-c2ccncc2)n1 1383080 ATDSMVBSDSDORH-UHFFFAOYSA-N 308.410 3.873 0 40 DHAB O=C(Cc1ccccc1)Nc1c(Cl)ccc2nsnc12 2241444 PCJDYAWPPVAVDO-UHFFFAOYSA-N 303.774 3.526 0 40 DHAB COCCCn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 2510205 MDDCKAWAWDYEQB-UHFFFAOYSA-N 305.447 3.942 0 40 DHAB CC[C@@H]1CCCCN1c1nc2c(C=O)c(C)nn2c2ccccc12 3178585 OTGZSSWDGWKZSQ-CQSZACIVSA-N 322.412 3.772 0 40 DHAB CCCOc1ccc(NC(=O)c2cc(C)on2)cc1OCCC 3354184 KLSRXJYXNRBGBQ-UHFFFAOYSA-N 318.373 3.813 0 40 DHAB COc1ccc2oc(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1 4502603 GEJOJPFDDKMHIS-UHFFFAOYSA-N 320.348 3.962 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)Cc1ccc2c(c1)OCCO2 5511847 HCMXQNKOCGPDDW-UHFFFAOYSA-N 317.772 3.601 0 40 DHAB COc1ccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 5513712 QFTRTIPKRWJNSI-UHFFFAOYSA-N 324.207 3.975 0 40 DHAB Cc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1 6767544 SNQSPFXFOLFEDY-UHFFFAOYSA-N 303.412 3.930 0 40 DHAB COc1ccc(C)cc1/C=C/C(=O)Nc1cccc(C(C)=O)c1 6789197 XNBVHDCDIMYUBR-CSKARUKUSA-N 309.365 3.858 0 40 DHAB Cc1cccc(C)c1OC(=O)c1cncc(Br)c1 7658005 WWBGCNZNOKPPIS-UHFFFAOYSA-N 306.159 3.680 0 40 DHAB CC(C)Sc1nc2sccc2c(=O)n1-c1ccccc1 7784060 JEWYCOWHMMZNTK-UHFFFAOYSA-N 302.424 3.948 0 40 DHAB O=C(OCc1nc2ccccc2o1)c1ccc(Br)o1 8262540 XMXSIUXEHMEQRZ-UHFFFAOYSA-N 322.114 3.540 0 40 DHAB CCc1c(C(=O)Nc2c(C)cccc2C)cnn1-c1ccccn1 8715202 USYCTUMYHIGJMB-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2S)cc1 9064161 VHFKFHQOTXDSSC-UHFFFAOYSA-N 316.451 3.665 0 40 DHAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C)on1 9690339 UBPIFXRXNPAVKN-HNNXBMFYSA-N 310.353 3.932 0 40 DHAB Cc1ccc(C(=O)c2ccccc2C(=O)N2CCCCC2)cc1 12748150 UCUGHPRBTGFGEP-UHFFFAOYSA-N 307.393 3.852 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1C 12773651 NOYSFEFMTNQBIX-HNNXBMFYSA-N 312.344 3.507 0 40 DHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nccn1C 13064092 BEQRFJJYGDLPRH-MCIONIFRSA-N 310.463 3.516 0 40 DHAB CC1=C[C@](O)(c2ccccn2)[P@](=O)(c2ccccc2)C=C1C 13213201 PJICAWSJXGVEIJ-XMSQKQJNSA-N 311.321 3.779 0 40 DHAB Cc1ccsc1CN(Cc1ccc(F)cc1F)C[C@@H](C)O 13991527 PWAQZDYLJWOMTN-GFCCVEGCSA-N 311.397 3.718 0 40 DHAB COc1cccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)c1 15833117 VQXAROPBQWUNCZ-UHFFFAOYSA-N 322.364 3.839 0 40 DHAB Cc1ccccc1CN1CCN(C(=O)CCC2CCCC2)CC1 19889436 IXNUIPFDLLDTIV-UHFFFAOYSA-N 314.473 3.610 0 40 DHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(F)c(F)c1F 20029701 FOZWBFKRXCSWQT-VIFPVBQESA-N 309.287 3.604 0 40 DHAB CSc1ccc(Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 21285087 BNJRATKQYUXWTN-UHFFFAOYSA-N 316.817 3.764 0 40 DHAB COc1ccccc1C(=O)CCCCNC(=O)OC(C)(C)C 22005557 LDOVUCZVNHYSOY-UHFFFAOYSA-N 307.390 3.573 0 40 DHAB CCn1nnc(NCc2ccc(-c3cccc(Cl)c3C)o2)n1 32617007 NKWPUVDJOIPPOK-UHFFFAOYSA-N 317.780 3.527 0 40 DHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(Cl)ccn1 37108992 NRBDGNFEAIONQK-KRWDZBQOSA-N 323.783 3.649 0 40 DHAB COc1ccc(C(=O)N2CC=C(c3ccc(OC)cc3)CC2)cc1 40119709 MJXIOVXWJROCGV-UHFFFAOYSA-N 323.392 3.633 0 40 DHAB O=C1CCCN1c1cc(Nc2nc3ccccc3o2)ccc1F 52078007 JNQJEYHWXSWNAK-UHFFFAOYSA-N 311.316 3.837 0 40 DHAB Cc1sc2ncnc(N3CCC(n4cccc4)CC3)c2c1C 58555279 OIDVTJATVQRIIK-UHFFFAOYSA-N 312.442 3.951 0 40 DHAB c1csc([C@H](NC[C@H]2CNc3ccnn3C2)C2CCCC2)c1 69453549 QFUSBZWHHUKGIT-CXAGYDPISA-N 316.474 3.507 0 40 DHAB O=C(O)c1cc(Br)ccc1COCc1ccccc1 72209153 WJBSLWKIMABUNO-UHFFFAOYSA-N 321.170 3.864 0 40 DHAB O=C(c1ccc(Cl)o1)N(Cc1ccco1)c1ccccn1 72235999 SSXGIXYDZCAMQU-UHFFFAOYSA-N 302.717 3.768 0 40 DHAB CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1 72297271 PWSDRRNDCXJIIH-ZIAGYGMSSA-N 322.474 3.542 0 40 DHAB CN(Cc1nnc(C2CC2)o1)c1ccc(Oc2ccccn2)cc1 72636964 IANUAOIOIACWDO-UHFFFAOYSA-N 322.368 3.771 0 40 DHAB CN1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 81223028 JSBCBPDWFRPVBV-KRWDZBQOSA-N 324.424 3.546 0 40 DHAB COC(=O)CCc1c(OC)ccc2cc(Br)ccc12 85385414 KQTKBYDGCSUVMA-UHFFFAOYSA-N 323.186 3.717 0 40 DHAB CCc1ccsc1CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 87464731 ARSXHJVSEFVAOL-HUUCEWRRSA-N 303.402 3.870 0 40 DHAB O=c1cc(C(F)(F)F)nc(CNc2cccc3ccccc23)[nH]1 89873251 BKTQSXHPLZFAHQ-UHFFFAOYSA-N 319.286 3.554 0 40 DHAB O=C(NCC1CCCCCCC1)c1ccc(NC2CC2)nc1 95369518 OGQCRXXOUXNUBL-UHFFFAOYSA-N 301.434 3.746 0 40 DHAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc(C)c(C)o1 95961158 RAEPBLQCNFYILE-BXKDBHETSA-N 322.434 3.578 0 40 DHAB CC1(C)CN(C(=O)c2sccc2Br)C1(C)C 95963156 XJHKAJKZTLOCSE-UHFFFAOYSA-N 302.237 3.771 0 40 DHAB C[C@@H](CNC(=O)c1cc2occc2[nH]1)Sc1ccccc1 95972815 YTAQPJPPUXSLQE-NSHDSACASA-N 300.383 3.672 0 40 DHAB COc1ccc(OC)c([C@@H](C)Nc2ccc3c(c2)CN(C)C3)c1 97232086 JVDDWOCWKHZALB-CYBMUJFWSA-N 312.413 3.822 0 40 DHAB O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 102066371 DBXPNVANMQOOSH-GYBADROVSA-N 310.180 3.529 0 40 DHAB C[C@H](NC(=O)COc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 108869704 CFAOEUQRNMPLNQ-XUXIUFHCSA-N 307.821 3.660 0 40 DHAB Cc1nnc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)s1 152307548 WWQRHDRFWNAEOS-LLVKDONJSA-N 320.487 3.566 0 40 DHAB COc1cccc(NC(=O)NCCOc2ccccc2Cl)c1 153923224 VDFKNRAEFKRTRQ-UHFFFAOYSA-N 320.776 3.549 0 40 DHAB Cc1ccc(Cl)cc1Nc1ccc(C(=O)NC2CC2)cc1N 225426614 XTMBSYVVUFIPEP-UHFFFAOYSA-N 315.804 3.866 0 40 DHAB CCOc1ccc(CNC(=O)Cc2ccccc2Cl)cc1 225437262 CNJAGBAGTHIJIT-UHFFFAOYSA-N 303.789 3.598 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(F)c1 225635516 OHWRLFAKZXKQSX-ZDUSSCGKSA-N 318.417 3.888 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 251026725 WRMMKKLGHXNWQL-QAETUUGQSA-N 301.430 3.684 0 40 DHAB Cc1nccc([C@@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1 257343952 ZVBYGQYLTPLUAF-KRWDZBQOSA-N 321.380 3.817 0 40 DHAB COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccccc1 408528967 YHFMIJRMEGLSCM-BENRWUELSA-N 313.309 3.552 0 40 DHAB FC(F)(F)CCOCc1nn(CCC(F)(F)F)cc1Cl 408717126 WAJBDTQUPRYZHS-UHFFFAOYSA-N 324.652 3.958 0 40 DHAB CCOc1cc(C)c(/C=C2/SC(=O)NC2=O)cc1C(C)C 408847220 QCJWLFMWYYOFQI-RIYZIHGNSA-N 305.399 3.841 0 40 DHAB O=C(NC[C@@H]1CC=CCC1)c1cc(-c2ccccc2Cl)[nH]n1 502893602 UQZHPTPQMNVSDM-GFCCVEGCSA-N 315.804 3.816 0 40 DHAB Cc1ccc(C)c(C(=O)NCC[C@@H](CCO)c2cccs2)c1 575603408 GAYYOGNIFKVPIO-HNNXBMFYSA-N 317.454 3.651 0 40 DHAB CCOC(=O)[C@@H]1C[C@@H]1c1c[nH]c2ccc(Br)cc12 2362804642 DUGBQVXNEMUSFF-GXSJLCMTSA-N 308.175 3.597 0 40 DHAB CCN(CC)c1ccc(NC(=S)NC(=O)C(C)(C)C)c(C)c1 568410 JHCHCMHDVGLWBB-UHFFFAOYSA-N 321.490 3.700 0 40 DHAB CCOC(=O)c1ccc2cc(C(=O)c3ccccc3)ccc2n1 1871792 SEJDBLIRMYLSHR-UHFFFAOYSA-N 305.333 3.643 0 40 DHAB Cn1c(NC(=O)c2cc(-c3cccs3)on2)nc2ccccc21 2803017 DYRACQXVQKUWFE-UHFFFAOYSA-N 324.365 3.542 0 40 DHAB O=C(NCc1ccccc1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 3059181 ULUJOCPTYZTMRJ-HUUCEWRRSA-N 320.219 3.890 0 40 DHAB CC(C)(C)c1csc(SCC(=O)Nc2ccccn2)n1 4661472 ZWJQGICZYQKFHP-UHFFFAOYSA-N 307.444 3.566 0 40 DHAB CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 5912420 HXFRQNKRUCEWHR-UHFFFAOYSA-N 308.425 3.772 0 40 DHAB COc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cn1 6252753 COLSPFWGMPAZBW-FNORWQNLSA-N 322.286 3.761 0 40 DHAB Cc1cccn2cc(CSc3nc(-c4ccccc4)n[nH]3)nc12 6465832 PXGHYVRCBLULMK-UHFFFAOYSA-N 321.409 3.720 0 40 DHAB CCN1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c(Cl)c1 6583920 WWCFMRNUFNYICJ-LLVKDONJSA-N 316.232 3.599 0 40 DHAB CCc1ccc2oc(C(=O)Nc3cccc(C)c3)cc(=O)c2c1 6811266 VCSMUGLAZGDGCF-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB COc1ccc(N(CC(=O)c2ccccc2)C2=NCCCC2)cc1 7275549 QHOJJLWGAQHNJB-UHFFFAOYSA-N 322.408 3.967 0 40 DHAB O=c1cnc2ccccc2n1Cc1c(Cl)cccc1Cl 8241181 NKNBFMUXEWBKOP-UHFFFAOYSA-N 305.164 3.752 0 40 DHAB COc1ccc([C@@H]2NC(=S)NC3=C2CCc2ccccc23)cc1 9332645 DTDOZOPXRLNIGS-KRWDZBQOSA-N 322.433 3.572 0 40 DHAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)c(C)s1 9645570 FEBJHQNMGFJQHU-UHFFFAOYSA-N 314.410 3.509 0 40 DHAB CC(C)[C@@H](NC(=O)NCc1ccccn1)c1ccc(Cl)cc1 9941184 NPOMPGLVCRQGCH-MRXNPFEDSA-N 317.820 3.932 0 40 DHAB COC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 10406144 VSOIUDNXRDDKBE-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB COC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 11048330 SFBLHOQMFFLYQF-UHFFFAOYSA-N 301.371 3.527 0 40 DHAB Brc1ccc(-c2cccc(Br)n2)cn1 12359332 PHHCZWMVSJDJKK-UHFFFAOYSA-N 313.980 3.669 0 40 DHAB c1ccc2nc(Nc3ccc(N4CCCCC4)nc3)cnc2c1 12788890 UJBSESIFMAHGBX-UHFFFAOYSA-N 305.385 3.759 0 40 DHAB O=C(c1cc2ccccc2cc1O)N1CCC[C@@H](C(F)(F)F)C1 12867030 UCFYXGWJPIGLIA-CYBMUJFWSA-N 323.314 3.960 0 40 DHAB Cc1c(C(=O)NCC2CCCCC2)cnn1-c1ccccc1F 13005790 DIRLFODNYWCWQR-UHFFFAOYSA-N 315.392 3.630 0 40 DHAB O=C(NCc1ccc(C(=O)O)cc1)Nc1cccc2ccccc12 13319987 HLWYKGVYIXUEMT-UHFFFAOYSA-N 320.348 3.860 0 40 DHAB CSc1nnc(SCc2nc(-c3ccccc3)no2)s1 14168989 ABAHKDADJSRGNU-UHFFFAOYSA-N 322.440 3.602 0 40 DHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)c(C)c1 15393492 DGXWRHLSBUCMSJ-CQSZACIVSA-N 301.361 3.526 0 40 DHAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCCCC1 16740424 VHHDPOBUOJQKKL-UHFFFAOYSA-N 317.392 3.923 0 40 DHAB Cc1cnc(N2C(=O)CS[C@H]2c2ccccc2Cl)s1 17198005 UUHYUWZUJJROFY-LBPRGKRZSA-N 310.831 3.884 0 40 DHAB Cc1cccnc1-c1cc(O)n2nc(-c3cccs3)cc2n1 19237886 PKGLQNOVYWJTHI-UHFFFAOYSA-N 308.366 3.534 0 40 DHAB O=C1Oc2nc3ccccc3cc2CN1CCc1cccc(F)c1 19376297 YWBHGSXWVIHXQP-UHFFFAOYSA-N 322.339 3.931 0 40 DHAB O=C(Nc1ccc(Cl)cc1F)c1ccc(-n2cccn2)cc1 21796514 MZPCTPOFCLGKFQ-UHFFFAOYSA-N 315.735 3.917 0 40 DHAB CC[C@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1 22380917 ITZQTUHSNSZSCW-HNNXBMFYSA-N 303.793 3.686 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)NC[C@H](C)c2ccccc2)c1 24036414 LADDZVWCORZWTG-INIZCTEOSA-N 311.425 3.911 0 40 DHAB CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 27525888 SXXSXXICJDGGTO-MRXNPFEDSA-N 324.409 3.692 0 40 DHAB Clc1ccc2c(c1)nc(SCc1ccon1)n1nccc21 30953018 KNINAYJZSSMLMG-UHFFFAOYSA-N 316.773 3.816 0 40 DHAB CCC(=O)Nc1nc(C)c(-c2nc(-c3cccs3)no2)s1 32074140 GELOILWQESAXQS-UHFFFAOYSA-N 320.399 3.579 0 40 DHAB CCNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 32845768 VBLCRQWHEZCEGA-UHFFFAOYSA-N 303.412 3.851 0 40 DHAB Cc1noc(C)c1CC(=O)N1CC[C@H](C)Sc2ccccc21 36619853 LGDSZWAQGAZDJU-NSHDSACASA-N 316.426 3.751 0 40 DHAB CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc12 40034729 IQUBSQGYBVEICN-LALPHHSUSA-N 315.417 3.901 0 40 DHAB COc1ccccc1CNC(=O)Nc1cccc(OC(F)F)c1 40120535 KTQIWFAIKVUGRS-UHFFFAOYSA-N 322.311 3.618 0 40 DHAB COc1cccc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 40489899 HIRBTDMDHZZDKD-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB COc1cccc(C(=O)NCc2ccc(C)cc2)c1OC(F)F 42631482 XORYIMKLHAPXDM-UHFFFAOYSA-N 321.323 3.535 0 40 DHAB O=C(Nc1cnn(Cc2ccccc2)c1)Nc1ccccc1F 48051352 LQJCBTJPDBDKIL-UHFFFAOYSA-N 310.332 3.715 0 40 DHAB COc1cccc(CN(C)C(=O)N[C@H](C)Cc2ccsc2)c1 50157617 NSSDOUYUFPLDAL-CYBMUJFWSA-N 318.442 3.529 0 40 DHAB C[C@@H](NCC(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 57752202 UHXXYSXGQRBRKN-SNVBAGLBSA-N 324.211 3.678 0 40 DHAB COc1ccc(NC(=O)CSCc2cccc(F)c2)cc1 58691364 XOUUXXLONHPDIE-UHFFFAOYSA-N 305.374 3.706 0 40 DHAB O=C(Nc1ccn(-c2ccccc2)n1)[C@H]1C[C@@H]1c1cccc(F)c1 67033828 JJIPEJPFZHKJLB-SJORKVTESA-N 321.355 3.754 0 40 DHAB Cc1ccc(C2(CNC(=O)Nc3ccccc3)CCOCC2)cc1 69031557 YTRCUMINMWMDSX-UHFFFAOYSA-N 324.424 3.865 0 40 DHAB Cc1nc(CNc2nc(-c3ccccn3)nc(C)c2C)cs1 69420087 QTRXWYRATRLRFO-UHFFFAOYSA-N 311.414 3.532 0 40 DHAB CC(C)(C)c1csc(CCNC(=O)CCc2ccsc2)n1 71856419 MGFSEPLLZFVGSL-UHFFFAOYSA-N 322.499 3.794 0 40 DHAB Nc1nc(-c2ccc(Br)cc2)cc(-c2ccco2)n1 71977718 VRMZVUUZYBXUAE-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB CC(=O)N1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214413 PGHRXZJZFYRXTR-AWEZNQCLSA-N 319.405 3.502 0 40 DHAB Cc1nc(C)c([C@H](C)N(C)C(=O)NCCc2ccccc2)s1 72269999 YZRJXDJRHBFHPM-ZDUSSCGKSA-N 317.458 3.705 0 40 DHAB CC(C)N(Cc1cccnc1)C(=O)N[C@@H]1CCc2ccccc2C1 72271088 SAZCLTWIBVYJFN-LJQANCHMSA-N 323.440 3.559 0 40 DHAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)c1 72322142 CHDIUGVGKKJVSB-INIZCTEOSA-N 317.820 3.656 0 40 DHAB biogenic,in-vitro COc1ccc(COc2cc(C=O)ccc2OC)c(Cl)c1 75093219 GMERRUHIDBNBLR-UHFFFAOYSA-N 306.745 3.749 0 40 DHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ccccn1 79297785 UVGZZHMFDFAYLG-ZDUSSCGKSA-N 302.805 3.887 0 40 DHAB CCCc1ccc(C(=O)NCc2nc3cccc(C)c3n2C)cc1 84758988 IOSYDSRINPJWLW-UHFFFAOYSA-N 321.424 3.764 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CCC(CSc2ccccn2)CC1 85557632 GSBLGIGUFGJVQF-MRXNPFEDSA-N 316.470 3.769 0 40 DHAB COc1ccc(-c2noc([C@@H]3C[C@@H]3c3ccco3)n2)c(OC)c1 95396893 OBKOPCPMCCYZIZ-QWHCGFSZSA-N 312.325 3.618 0 40 DHAB C[C@H](NC(=O)Nc1cn(C)nc1-c1ccccc1)c1ccccc1 95460770 ZEIXZLMFFNIMCV-AWEZNQCLSA-N 320.396 3.970 0 40 DHAB CC(C)n1ccc2cc(C(=O)NCC(=O)c3ccccc3)ccc21 95480460 DLPPNNNJPOCWKV-UHFFFAOYSA-N 320.392 3.835 0 40 DHAB Cc1cc([C@H](C(N)=O)c2ccc(Cl)cc2)c(Cl)cc1N 95921795 VBIICLHCTBGREM-CQSZACIVSA-N 309.196 3.501 0 40 DHAB C[C@H](NCc1nnc2ccccn12)c1cccc2ccccc12 95948604 FGWBYKYMVSQFTL-AWEZNQCLSA-N 302.381 3.733 0 40 DHAB NC(=O)c1cccc(Oc2ccc(NCc3cccnc3)cc2)c1 97235396 VAKMITZHZUGTJL-UHFFFAOYSA-N 319.364 3.585 0 40 DHAB CCN(Cc1ccoc1)C(=O)c1nc(C)oc1-c1ccccc1 97376239 DLFSBHWOZRGYHZ-UHFFFAOYSA-N 310.353 3.905 0 40 DHAB CC(C)(C)OC(=O)N1CCC(N)(Cc2cccc(Cl)c2)CC1 98213812 GICZWCGAMHUJMD-UHFFFAOYSA-N 324.852 3.611 0 40 DHAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 100831822 RSMCDIGUYNLUPN-YYCWZVFASA-N 323.521 3.842 0 40 DHAB C[C@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)C[C@@H](C)O1 101449324 OVLKUSWBFCKOFN-YEKIFEMUSA-N 305.462 3.619 0 40 DHAB Cc1ccnn1-c1cccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 107344152 MCSCIHZCTCNZHL-JYJNAYRXSA-N 309.413 3.946 0 40 DHAB COc1ccc([C@H](NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C(C)C)cc1 107568699 OQXMLSFAKKQALR-QXRTWZOPSA-N 301.430 3.945 0 40 DHAB Cc1ncc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)s1 195559050 CRRHLBMZQKYRAM-LJQANCHMSA-N 314.863 3.596 0 40 DHAB C[C@@H]1CC(Nc2ccc(Cl)c(C[S@@](C)=O)c2)C[C@@H](C)O1 195559105 RNAQNLBDYQERLH-SUTOTMHJSA-N 315.866 3.586 0 40 DHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccs2)S1 222568124 KGIPBQCACLWJFH-BPNCWPANSA-N 301.440 3.732 0 40 DHAB CCc1ccc(CC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 223019537 OZLWYUWDZMNGSN-MRXNPFEDSA-N 311.425 3.684 0 40 DHAB CSc1ccccc1C(=O)NCCOc1ccc(C)c(C)c1 223452940 FLJCJGRJZVRSAS-UHFFFAOYSA-N 315.438 3.834 0 40 DHAB CCO[C@H](C)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 225721748 UBCZLAVCRVFIAY-SECBINFHSA-N 323.286 3.520 0 40 DHAB CC(=O)Nc1cc(C(=O)O)c(Cl)cc1OCc1ccccc1 225731903 VLMSLUZLDGOQSO-UHFFFAOYSA-N 319.744 3.576 0 40 DHAB CCCCOc1ccc(C2=NN[C@H]3CC(C)(C)CC(=O)[C@H]23)cc1 228928558 YGFYSOXAKNINQE-DOTOQJQBSA-N 314.429 3.547 0 40 DHAB CC[C@H](NC(=O)[C@H]1C[C@H]1c1cccnc1)c1cc(F)ccc1F 245289920 GATCRISVXOCJBC-ZQIUZPCESA-N 316.351 3.731 0 40 DHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1CCc1ccncc1 257294830 QVXMGUHIQBABOO-KRWDZBQOSA-N 319.408 3.800 0 40 DHAB COc1ccccc1Oc1ccc(NC(=S)NC(C)C)cn1 408549906 BHNFZKBQLXQNAM-UHFFFAOYSA-N 317.414 3.577 0 40 DHAB S=C1NC(c2ccccc2)=C[C@@H](c2ccccc2Cl)N1 86538 XMVFLDOQVNPPKF-HNNXBMFYSA-N 300.814 3.900 0 40 DHAB Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C(F)F)cc1 101782 HZVMSTXDNSXVCQ-UHFFFAOYSA-N 315.316 3.552 0 40 DHAB Cc1nnc2n1-c1cc(F)ccc1[C@@H](c1ccc(F)cc1)CC2 347712 RPSFTORJNMCMSR-OAHLLOKOSA-N 311.335 3.932 0 40 DHAB CCOC(=O)COc1c(Cl)cc(Cl)cc1-c1ccno1 366939 OCUPZMOWTZMNLZ-UHFFFAOYSA-N 316.140 3.590 0 40 DHAB CSc1nc2nccc(-c3ccc(Cl)cc3Cl)n2n1 1384824 GMLKILBOCJMLON-UHFFFAOYSA-N 311.197 3.820 0 40 DHAB CC(C)[C@@H](CCNCc1ccc2c(c1)OCO2)c1ccco1 2157133 HRNCAYFDDOIXIU-OAHLLOKOSA-N 301.386 3.928 0 40 DHAB biogenic CC(C)CC[C@@H](C[C@@H](C)O)c1nnc(S)n1-c1ccccc1 2303647 UTESJULFGYSALG-KGLIPLIRSA-N 319.474 3.847 0 40 DHAB COC(=O)c1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 3219905 ATCKFLDVQUMRBW-RIYZIHGNSA-N 313.740 3.619 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 3422973 SWIQAZCYQOERCF-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(Cl)cc1 5613418 DWDRXVFXDRNZGE-UHFFFAOYSA-N 324.767 3.959 0 40 DHAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(Cl)nc1 6635759 MDSITDJJTFUOFN-UHFFFAOYSA-N 314.728 3.747 0 40 DHAB COc1ccc2nc(S[C@H](C)C(=O)c3ccccc3)[nH]c2c1 6657570 RCGQASSEXBMTDU-LLVKDONJSA-N 312.394 3.935 0 40 DHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)cc1 6786157 ZJJGGGGTBCDIBW-UHFFFAOYSA-N 307.353 3.616 0 40 DHAB CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2)n1 6810501 ZPTYRQSCZDWUDV-UHFFFAOYSA-N 307.806 3.884 0 40 DHAB Cc1ccccc1CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12328527 NBRTXUVIQLBSEA-SFHVURJKSA-N 308.425 3.846 0 40 DHAB Nc1c(Cl)cccc1C(=O)OCc1nc2ccccc2s1 12808045 TVQLDTLUPSDDKV-UHFFFAOYSA-N 318.785 3.889 0 40 DHAB CC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 12896510 WGYUFWSJYAQPOM-LBPRGKRZSA-N 317.772 3.949 0 40 DHAB O=C(NCc1ccccc1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13635742 QJUSYSOJRKPOAM-BXXOZEPKSA-N 303.833 3.881 0 40 DHAB O=c1cc(CSc2ccc(F)cc2)nc2ccc(Cl)cn12 14642869 UMAHPJNCRKLACC-UHFFFAOYSA-N 320.776 3.779 0 40 DHAB Cc1cc2nc(NC(=O)c3cc(F)cc(F)c3)[nH]c2cc1C 16284163 LKIRIFMPJRXDII-UHFFFAOYSA-N 301.296 3.710 0 40 DHAB CCCCCc1nc2ccccc2c(=O)n1-c1cccc(O)c1 16638682 ZXCYIKPGPJMZHA-UHFFFAOYSA-N 308.381 3.824 0 40 DHAB COc1ccc2oc(C(=O)NN3[C@@H](C)CCC[C@H]3C)c(C)c2c1 18117295 CWBXKEJDCLRRRL-TXEJJXNPSA-N 316.401 3.658 0 40 DHAB O=c1c(NCc2cccs2)nccn1-c1cccc(Cl)c1 21536925 RMDGRAPBNXUQQW-UHFFFAOYSA-N 317.801 3.560 0 40 DHAB COC(=O)[C@@H](C)c1ccc(-c2ccc(C(C)=O)cc2)c(F)c1 22047374 GSUUVAORLIYLIT-NSHDSACASA-N 300.329 3.972 0 40 DHAB in-vitro CCN(CC)C[C@H](CN(CC(C)C)CC(C)C)NCC(C)C 22859800 GNOXJLFBYFFUMU-LJQANCHMSA-N 313.574 3.556 0 40 DHAB COCc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 23387328 IOJZGVDZNFQTQR-KBPBESRZSA-N 315.335 3.684 0 40 DHAB CC(C)[C@@H](NC(=O)c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 23769139 JYOJFPOGGADSIH-QGZVFWFLSA-N 313.445 3.845 0 40 DHAB C[C@H]1CCCC[C@H]1NC1=NN=C(c2ccc(F)cc2)CS1 24841562 MSAYIKIXUIWWJA-SMDDNHRTSA-N 305.422 3.801 0 40 DHAB Cc1ccc([C@H](CNC(=O)c2ccccc2C)N2CCCC2)cc1 27793199 WKQFZTLWDQLJQK-FQEVSTJZSA-N 322.452 3.870 0 40 DHAB O=C(Cc1cccc(F)c1)Nc1cccc(Oc2ncccn2)c1 32027473 WSYSHTCQXRRUAU-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccs1 40112241 IFUFFFAYRAPGAK-UHFFFAOYSA-N 300.383 3.657 0 40 DHAB CC(C)c1noc(CCCC(=O)Nc2ccc(Cl)cc2)n1 40515660 LYAGBDRLVKNBIM-UHFFFAOYSA-N 307.781 3.808 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1C 41889919 UUABJNNIPKDEOU-UHFFFAOYSA-N 310.397 3.694 0 40 DHAB O=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(Br)c1 43879061 NCKYAKWDLTVLKC-GXSJLCMTSA-N 311.175 3.523 0 40 DHAB C[C@@H](CNC(=O)Nc1ccccc1Cl)N1CCCC[C@H]1C 45951191 ABHNPODXJCZBLA-OLZOCXBDSA-N 309.841 3.724 0 40 DHAB Cc1nonc1NC(=O)CC(c1ccccc1)c1ccccc1 60855156 UHLIXEYIHQBTTQ-UHFFFAOYSA-N 307.353 3.539 0 40 DHAB Cn1c(CSc2cccc(Br)c2)nnc1C1CC1 69770666 URHMNZSZFIVTMP-UHFFFAOYSA-N 324.247 3.747 0 40 DHAB Cc1nc([C@@H]2CCCN(C(=O)c3ccoc3C)C2)sc1C 72297532 HHDHEMGVGITKEH-CYBMUJFWSA-N 304.415 3.681 0 40 DHAB CSC[C@@H]1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 76018962 RMQMPRKVUALNPS-CQSZACIVSA-N 321.490 3.748 0 40 DHAB Cc1coc(-c2cccc(NC(=O)Cc3csc(C)n3)c2)n1 89702567 FZEXXSNEGZBVLA-UHFFFAOYSA-N 313.382 3.596 0 40 DHAB Cc1cc(C)nc(NCCC(=O)Nc2cccc3ccccc23)n1 95480458 QSQQQTMZGGZJGR-UHFFFAOYSA-N 320.396 3.687 0 40 DHAB Cc1ccnc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 95960462 WSUPEQKLRYLVBW-KRWDZBQOSA-N 318.380 3.577 0 40 DHAB c1ccc(-c2nc(Cc3nc([C@H]4CCCCCN4)no3)co2)cc1 96001507 AGOYFEVVVSSVGL-OAHLLOKOSA-N 324.384 3.520 0 40 DHAB O=C(N[C@H](CO)c1ccco1)N(c1ccccc1)c1ccccc1 96007723 CJLNLDPPXBVJBZ-QGZVFWFLSA-N 322.364 3.861 0 40 DHAB C[S@](=O)(=NC(=O)C(Cl)=C(Cl)Cl)c1ccccc1 100016342 RETGPYAECCZLSQ-QGZVFWFLSA-N 312.605 3.555 0 40 DHAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc(OC(C)C)cc1 100189400 OIUYRKDEEHHPFT-JXFKEZNVSA-N 323.440 3.834 0 40 DHAB CC1(C)CC2=Nc3nonc3N[C@H](c3ccccc3)C2=C(O)C1 102740924 QKRDDCPLNCZFCN-CQSZACIVSA-N 310.357 3.941 0 40 DHAB COc1cc(CNC(=O)c2cccc(F)c2)ccc1OC(C)C 224956946 WAVLJBUNYPRWGP-UHFFFAOYSA-N 317.360 3.552 0 40 DHAB COc1ccc(CCCNC(=S)Nc2ccc(F)cc2)cc1 225556132 SPWQXAOXERUBDQ-UHFFFAOYSA-N 318.417 3.754 0 40 DHAB COc1ccc(NC(=O)C(Cl)(Cl)Cl)c2cccnc12 225879421 DOPMRMLRHFIVFW-UHFFFAOYSA-N 319.575 3.552 0 40 DHAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)n1 257333545 YBZYNTWEUBDMQV-HNNXBMFYSA-N 323.396 3.793 0 40 DHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(CC)c2C)C1=O 409019302 IOHBWFRSOUTCSL-RSYJBZMQSA-N 306.431 3.960 0 40 DHAB Cc1cc(C(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)c(C)o1 575614938 AHSVUMJFFVIITK-HNNXBMFYSA-N 323.396 3.642 0 40 DHAB O=C(Cc1ccccc1)c1ccccc1C(=O)N1CCCCC1 31596 GTZQHATUPRUOGY-UHFFFAOYSA-N 307.393 3.738 0 40 DHAB CC[C@@H]1C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(F)cc1 89817 GXIPECVEQGBITQ-GJZGRUSLSA-N 304.361 3.969 0 40 DHAB CC(=O)N1c2ccccc2N(C(C)=O)C1c1c[nH]c2ccccc12 247962 LOVNJQZOCGMVHQ-UHFFFAOYSA-N 319.364 3.586 0 40 DHAB COc1cccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)c1 430385 YMLADJNCOIDUPY-XNTDXEJSSA-N 313.740 3.693 0 40 DHAB Cc1ccccc1Cn1c(C(=O)OC(C)C)cc2c1ccn2C 1355141 DVTKZZXPXFTCQW-UHFFFAOYSA-N 310.397 3.902 0 40 DHAB CCOc1cc2c(cc1[C@H](C)c1ccccc1OC)OCO2 1583603 OKRDYSODJAKNBJ-GFCCVEGCSA-N 300.354 3.974 0 40 DHAB O=C(/C=C/c1cccs1)NC(=S)NCCC1=CCCCC1 1796941 ZXJXCNFWPGCARM-CMDGGOBGSA-N 320.483 3.643 0 40 DHAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 1934042 PPLTYDJPGVGPRK-UHFFFAOYSA-N 324.163 3.789 0 40 DHAB O=C(O)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 3349686 PPWSYOXTAUSOMB-UHFFFAOYSA-N 312.756 3.950 0 40 DHAB Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccco1)C2 4912802 BKTVAGCHZGSVFM-LBPRGKRZSA-N 315.369 3.642 0 40 DHAB COc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)cc1 6406322 BHGRIILGMXBWPT-UHFFFAOYSA-N 311.381 3.914 0 40 DHAB Cc1ccccc1-c1noc(-c2cc3ccccc3oc2=O)n1 6868005 CLSBBDXAAFCPSN-UHFFFAOYSA-N 304.305 3.818 0 40 DHAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc2c(c1)OCO2 6946505 FYCDZGJBKSLTRL-FPYGCLRLSA-N 302.713 3.688 0 40 DHAB Cc1ccc(C(=O)OCc2nc(-c3cccs3)no2)s1 7169929 YHODEZSBRLERMV-UHFFFAOYSA-N 306.368 3.525 0 40 DHAB O=C(CSC1=NCCS1)Nc1c(Cl)cccc1Cl 8329435 VIOQPIPFGQQJDK-UHFFFAOYSA-N 321.254 3.768 0 40 DHAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccccn1 8725149 DJRPGOHIHVMBCB-UHFFFAOYSA-N 314.348 3.649 0 40 DHAB Cc1ccc(Cl)c(OCCOCCN2CCC[C@H](C)C2)c1 8750415 BAZFJNLCUTZDGD-HNNXBMFYSA-N 311.853 3.776 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1 9064175 VDKGIMLMXGYFSV-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB COc1ccc(OC)c(NC(=O)c2cccc(-n3cccc3)c2)c1 9117676 QBHJDJBVXMBHID-UHFFFAOYSA-N 322.364 3.747 0 40 DHAB CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1)CSC2 9363780 XLNLSAACPXBERX-UHFFFAOYSA-N 301.415 3.637 0 40 DHAB COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1C 11287786 UWUDHEASYTYRMW-XUCOJJCUSA-N 312.413 3.606 0 40 DHAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3)o2)cs1 12619095 VDIMFONKFPDSHG-UHFFFAOYSA-N 316.357 3.781 0 40 DHAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OCC)cc1 13938857 WEPPVQPVNQVSMB-CQSZACIVSA-N 313.463 3.580 0 40 DHAB C[C@@H](NCc1ccc(Cl)cc1Cl)c1nnc2ccccn12 15593730 QMWUXQMRHTYTKJ-SNVBAGLBSA-N 321.211 3.887 0 40 DHAB COc1cccc(C(=O)c2oc3cc(NC(C)=O)ccc3c2C)c1 15729331 HHDBYJNZUFREPX-UHFFFAOYSA-N 323.348 3.939 0 40 DHAB biogenic Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1F 15906135 DRHCPEMGRJKTQJ-QFBILLFUSA-N 324.399 3.582 0 40 DHAB COc1cccc(COC(=O)c2ccc(-n3cccc3)cc2)c1 16131685 AQTQAPKRDMZHMW-UHFFFAOYSA-N 307.349 3.843 0 40 DHAB C[C@H]1CCCN(Cc2csc(NC(=O)C3CCCCC3)n2)C1 24887879 HSEHWURUCNKEBX-ZDUSSCGKSA-N 321.490 3.894 0 40 DHAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)N1CCc2ccccc21 25051358 YJTNCSGBUSMQPP-SFHVURJKSA-N 324.399 3.552 0 40 DHAB CCCCOc1cccc(C(=O)NCCc2csc(C)n2)c1 28251537 VDAFSOMLPRCZSZ-UHFFFAOYSA-N 318.442 3.603 0 40 DHAB C[C@@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1 28927009 QDRCCHYFTZHFBY-AWEZNQCLSA-N 305.381 3.610 0 40 DHAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O 32627898 XDXNWGSHUJVNTH-UHFFFAOYSA-N 313.737 3.800 0 40 DHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc(Cl)ccc1F 32931293 QRXBNTPMUXXPPV-XHDPSFHLSA-N 313.800 3.804 0 40 DHAB CC(C)Cc1nnc2n1N1C(=CS[C@H]1c1ccccc1)S2 35655283 HXZIHQVDMPYQPV-AWEZNQCLSA-N 316.455 3.765 0 40 DHAB Nc1[nH]cnc1-c1nc(-c2ccc(Br)cc2)cs1 36489952 VQWXOWMDAVQNLT-UHFFFAOYSA-N 321.203 3.545 0 40 DHAB CSc1nnc(NC(=O)/C=C/c2ccccc2Cl)s1 39989039 RJRLKVLVMAFKMG-VOTSOKGWSA-N 311.819 3.565 0 40 DHAB C[C@@H](CNC(=O)Nc1ccccc1Cl)N1CCC[C@@H](C)C1 40095584 NUMRBBIMQWTPNK-OLZOCXBDSA-N 309.841 3.582 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)c1 40473014 FMVPBPFTUROYQW-YOEHRIQHSA-N 315.413 3.724 0 40 DHAB CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2)o1 41018852 WYCDWKRIPNAFTO-UHFFFAOYSA-N 320.392 3.933 0 40 DHAB CCc1cc(N)cc(C)c1NC(=O)COc1cc(C)cc(C)c1 45890155 FMDFFWZHKRNFDU-UHFFFAOYSA-N 312.413 3.774 0 40 DHAB Cc1cc(C)n2cc(CN[C@@H](C)c3cccc(Cl)c3)nc2n1 48216271 XVANITGJUQRLLZ-ZDUSSCGKSA-N 314.820 3.850 0 40 DHAB CC(C)[C@H](NCc1nccn1CC(F)(F)F)c1ccccc1 57871889 VNYQMZWSQPQGBD-HNNXBMFYSA-N 311.351 3.932 0 40 DHAB COc1ccc(C(=O)[C@@H](C)Sc2nc(C)c(C)o2)cc1OC 58197433 PERLASUKRPQEPV-LLVKDONJSA-N 321.398 3.672 0 40 DHAB O=C(Nc1ccccc1OC(F)F)c1ccc(NC2CC2)nc1 58201114 SZWDWRCZRPJXQS-UHFFFAOYSA-N 319.311 3.510 0 40 DHAB CCNc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)ccn1 72311859 QHIYGTLJMHUQJP-UHFFFAOYSA-N 322.368 3.784 0 40 DHAB CCO[C@H](CCNC(=O)c1cc(-c2ccccc2)no1)C(C)C 74292615 DDHSVDIQQGOVNB-MRXNPFEDSA-N 316.401 3.523 0 40 DHAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(Cl)cc1F 84374461 GSPCJYXHCXIOHJ-UHFFFAOYSA-N 317.707 3.781 0 40 DHAB Cc1cc(CN(C)C[C@H]2CCOC2)ccc1Oc1cccnc1 93840099 ACOMAIMLZGBBCJ-QGZVFWFLSA-N 312.413 3.651 0 40 DHAB Cc1ncsc1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 95443754 QTLAKVPKWJGXDD-UHFFFAOYSA-N 308.313 3.518 0 40 DHAB C[C@H](NC[C@@](C)(O)c1ccsc1)c1nc2ccccc2s1 95968352 RFEAHHHXQUKTMJ-MEDUHNTESA-N 318.467 3.916 0 40 DHAB CO[C@H](CNC(=O)c1ccc(Cl)s1)c1ccccc1C 96104950 HGHORKLUAMHEHC-GFCCVEGCSA-N 309.818 3.827 0 40 DHAB COC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)o2)on1 96190740 GLEBHAFDKIHQRW-UHFFFAOYSA-N 303.245 3.653 0 40 DHAB C[C@H](OCCCN[C@@H]1CCCc2c1cnn2C)c1ccccc1 96476438 QHTXLTLCMSNBFM-MAUKXSAKSA-N 313.445 3.555 0 40 DHAB Cc1nc(-c2ccccc2)sc1NC(=O)N1CCSCC1 97107765 BKIVJPQKMQVPKI-UHFFFAOYSA-N 319.455 3.699 0 40 DHAB CC(C)(C)Oc1c(F)cc(NC(=O)C2CCOCC2)cc1F 97238708 BILKUCQYEAJDJI-UHFFFAOYSA-N 313.344 3.507 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)c1 100892286 ZHGBDVPQDXABAK-OALUTQOASA-N 313.397 3.613 0 40 DHAB C1CC2(CO1)[C@H]1[C@@H]3CC[C@H]4C5C6[C@@H]([C@@H]43)[C@@H]1[C@H]1[C@@H]6[C@@H]3[C@H]5CC[C@H]3[C@H]12 104294459 QUHROFCTPBXVCA-QTPPZRMKSA-N 308.465 3.689 0 40 DHAB Cc1cccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 195783768 BBTMMXLQPODCAF-XNTDXEJSSA-N 312.756 3.746 0 40 DHAB COCc1cc(C(=O)NC2CCCCCCC2)ccc1OC 224403267 HUSUXJULERQOCG-UHFFFAOYSA-N 305.418 3.684 0 40 DHAB COc1ccc(C(=O)NCCC(C)C)cc1COCC(C)C 224453960 WFMKNZAEKHMMFI-UHFFFAOYSA-N 307.434 3.644 0 40 DHAB COC(=O)c1cc2cc(NC(=S)NCC(C)C)ccc2s1 225211687 ZINWDZHPJLYYNX-UHFFFAOYSA-N 322.455 3.630 0 40 DHAB CCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C 225724633 ZYCDCPLFYWTSJP-SFHVURJKSA-N 305.418 3.928 0 40 DHAB O=C(c1cccc([C@H]2CCOC2)c1)N1CCc2c(F)cccc21 274056800 OGDBDFXMPIASMP-HNNXBMFYSA-N 311.356 3.533 0 40 DHAB CC(C)[C@@H]1CC(NCc2ccc3c(c2)OCO3)C[C@@H](C(C)C)O1 524735307 QFCSLHUPMINKGK-ROUUACIJSA-N 319.445 3.733 0 40 DHAB O=C(N[C@@H]1CC[C@@H](c2ccccc2F)C1)c1ncoc1C1CC1 585139764 XADDGLJLRSHWOU-CHWSQXEVSA-N 314.360 3.757 0 40 DHAB O=C1NC(c2ccccc2)=N/C1=C/c1ccc(Cl)cc1Cl 129614 PLRFYWYPBLKTDQ-RIYZIHGNSA-N 317.175 3.911 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)OC(C)C)c(C)c1 136067 CSIGETWJTRGNHT-JKSUJKDBSA-N 315.413 3.776 0 40 DHAB CCN(C(=O)Cn1cc(C(C)=O)c2ccccc21)c1ccccc1 807309 NFPDJKXKDGGDDP-UHFFFAOYSA-N 320.392 3.897 0 40 DHAB O=C(Nc1cccnc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2186972 PTIZETSPHFSZGB-OLZOCXBDSA-N 307.180 3.608 0 40 DHAB Cc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 2963265 JIJHUBAYOWGEKA-MAUKXSAKSA-N 310.422 3.930 0 40 DHAB FC(F)(F)c1cccc(OCc2nnc3n2CCCCC3)c1 3299380 ZSZNEHSDSNIWED-UHFFFAOYSA-N 311.307 3.602 0 40 DHAB O=C(Nc1nccs1)c1ccc(COc2ccccc2)cc1 3549572 OQDPSFCJBHLEOK-UHFFFAOYSA-N 310.378 3.974 0 40 DHAB Cc1ccc(C)c(OCC(=O)N[C@H]2CCCc3ccccc32)c1 3606568 WLEXAYIIDYTGAO-SFHVURJKSA-N 309.409 3.876 0 40 DHAB CCSc1nc2scc(-c3ccc(OC)cc3)c2c(=O)[nH]1 4649947 ODERWQBODACRGF-UHFFFAOYSA-N 318.423 3.772 0 40 DHAB c1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1 6038314 PBMFJEAPRIFGQF-UHFFFAOYSA-N 308.366 3.677 0 40 DHAB Cc1cccc(C)c1NC(=O)CN[C@@H](C)CCc1ccccc1 6653265 LOZNUBMYQGYUNT-KRWDZBQOSA-N 310.441 3.853 0 40 DHAB O=C(NC(=S)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 6658534 JZRDYHDBBVXOCR-UHFFFAOYSA-N 320.502 3.526 0 40 DHAB CCOc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1 6845743 NXCATZYVOIXENW-UHFFFAOYSA-N 319.364 3.795 0 40 DHAB COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc1 7000952 VSDQVGRKPJRDGJ-JLHYYAGUSA-N 309.321 3.852 0 40 DHAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1Cl 7402376 OMJIZWYGEXLSHH-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB Cc1occc1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 7419582 MDHJLQDAEGFVLA-UHFFFAOYSA-N 322.744 3.760 0 40 DHAB CCCOc1ccc(S(=O)(=O)N(CC)CC)c2ccccc12 8132551 JFAREDMIOSDHKU-UHFFFAOYSA-N 321.442 3.659 0 40 DHAB O=C(Cn1ccnc1)Nc1ccccc1Sc1ccccc1 10809348 JAKUVOLHCPWYIO-UHFFFAOYSA-N 309.394 3.673 0 40 DHAB Cc1ccc2nc(N(C[C@H]3CCCO3)C(=O)C3CC3)sc2c1 11066146 AOPVKOWAGLNVFD-CYBMUJFWSA-N 316.426 3.527 0 40 DHAB C[C@H](NC(=O)CN(C)Cc1ccco1)c1cccc2ccccc12 11230838 RXDQIGBXIHZDLO-HNNXBMFYSA-N 322.408 3.742 0 40 DHAB CC(C)c1ccc(OC[C@@H](O)CSc2ccccn2)cc1 11692555 QAXBJEAWWLIWFA-OAHLLOKOSA-N 303.427 3.737 0 40 DHAB Sc1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1 13534252 JPCFXILMOUOAKF-UHFFFAOYSA-N 318.405 3.695 0 40 DHAB COc1ccc(NC(=O)CNc2ccc(C)cc2F)cc1Cl 15123703 RVLVGQBWYJYIGA-UHFFFAOYSA-N 322.767 3.847 0 40 DHAB COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OC(C)C 15797158 IVVRSBQBAHTFRP-DZGCQCFKSA-N 305.418 3.791 0 40 DHAB Cc1ccc(C2=NN=C(N3CCCCC3)[C@@H]3C=CC=C[C@@H]23)cc1 16711632 LMRZANAIQNLWBF-QZTJIDSGSA-N 305.425 3.956 0 40 DHAB COc1ccc2nc(NC(=O)NC3CCCCC3)sc2c1 17180479 VNNJQNCLVLTUOJ-UHFFFAOYSA-N 305.403 3.759 0 40 DHAB COc1ccc2cc(C(=O)N(C)Cc3ccccc3)c(C)nc2c1 17334793 DWLCHMBHCJIAKY-UHFFFAOYSA-N 320.392 3.824 0 40 DHAB CN(C)CCN(Cc1cccs1)Cc1ccc(F)cc1F 19582564 YVXXWHDKOOGLIH-UHFFFAOYSA-N 310.413 3.590 0 40 DHAB CSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 20029852 PECLFAMHLZTZMC-CYBMUJFWSA-N 321.467 3.756 0 40 DHAB O=C1N/C(=C\c2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 23213142 RGSGEXAKIWXUGC-ZSOIEALJSA-N 316.719 3.576 0 40 DHAB O=C(Cc1noc2ccccc12)N[C@@H](c1ccccc1)C1CC1 24027427 JEICHTFCFWZLBE-IBGZPJMESA-N 306.365 3.638 0 40 DHAB CC[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1ccc(C)cc1 28236275 LEHBBXGQHDLNPW-NSHDSACASA-N 311.307 3.618 0 40 DHAB Cc1noc(C)c1CSc1ccccc1C(=O)NC(C)C 29458488 AFDDNSUUSBCWAU-UHFFFAOYSA-N 304.415 3.722 0 40 DHAB Cc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)sc1C 31236207 IDVSFASJJFKCBY-HNNXBMFYSA-N 314.454 3.621 0 40 DHAB COc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 32817567 NFJQVSLJPBAREW-UHFFFAOYSA-N 321.336 3.530 0 40 DHAB NC[C@H](CCO[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 34625811 SGVWGQRMFAWWKV-SWLSCSKDSA-N 318.244 3.969 0 40 DHAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)C1 36067877 CKEJEBVIPPRBQU-IRXDYDNUSA-N 314.473 3.791 0 40 DHAB COc1cccc(CNC(=O)Nc2cccc3ncccc23)c1 40103572 RKONOKZSGPPHNF-UHFFFAOYSA-N 307.353 3.565 0 40 DHAB Cc1ccccc1NCCC(=O)NCCc1ccc(Cl)cc1 40159402 WGSCIOIUZHGABF-UHFFFAOYSA-N 316.832 3.809 0 40 DHAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccncc1 44596782 VRXFOZUQAZXMAA-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)C1CCCCC1 44884448 RZDDEUGESXMKAX-QGZVFWFLSA-N 305.418 3.644 0 40 DHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(F)cc1 44899973 FJNYVDWAADIFMG-INIZCTEOSA-N 301.361 3.608 0 40 DHAB CC(C)Oc1ccccc1NC(=O)NCCc1ccc(F)cc1 48311288 YKAQVDNPJFYDAC-UHFFFAOYSA-N 316.376 3.977 0 40 DHAB O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2cccs2)[nH]n1 57413136 YZKYFZIOVRQJPX-UHFFFAOYSA-N 309.394 3.879 0 40 DHAB Cc1cc([C@@H](C)NC(=O)CCc2nc3ccccc3[nH]2)c(C)o1 58283073 PMZBLZSKBXEJHG-GFCCVEGCSA-N 311.385 3.583 0 40 DHAB Cc1nc(COC(=O)CC23CC4CC(CC(C4)C2)C3)oc1C 58302653 OHJYSPIYVJIGKT-UHFFFAOYSA-N 303.402 3.941 0 40 DHAB FC(F)(F)/C=C(\Br)C(F)(F)Br 64370191 VDBSJDJYQXHGCV-UPHRSURJSA-N 303.850 3.815 0 40 DHAB CC(C)c1ccc(NC(=O)N2CCC(n3ccnc3)CC2)cc1 65548513 WGCRXAUYJGXABS-UHFFFAOYSA-N 312.417 3.876 0 40 DHAB CCC(CC)(C(=O)NC[C@@H]1CCOC1)c1ccc(Cl)cc1 65553242 MUKJKKLFZXOYHB-ZDUSSCGKSA-N 309.837 3.551 0 40 DHAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)cc1 67898569 YGAGOJFBYCNLAS-INIZCTEOSA-N 317.820 3.656 0 40 DHAB biogenic,in-vitro CCc1cc(CNCc2ccc(Oc3cccnc3)c(C)c2)[nH]n1 69816779 LGLJVZVLSBHFKU-UHFFFAOYSA-N 322.412 3.758 0 40 DHAB Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1nccn2ccnc12 73612972 ZZUACUOQAXGFIM-KRWDZBQOSA-N 322.412 3.507 0 40 DHAB CC[C@H](NC(=O)NC1(C)CCC(C)CC1)c1c(C)nn(C)c1C 74098798 CBYQUYAWMKDVQL-KVIBHRHWSA-N 320.481 3.756 0 40 DHAB Cc1nccc(C(=O)N[C@H](c2cccs2)C2CCCC2)n1 84290717 QTLFBTLOWUILCM-HNNXBMFYSA-N 301.415 3.508 0 40 DHAB CC(C)N(C(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1)C1CCC1 89869509 RHUHVIGRACHVFS-UHFFFAOYSA-N 324.428 3.752 0 40 DHAB C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)C1=CCCCO1 95405628 PZHLZEXPJTZYFW-HNNXBMFYSA-N 322.408 3.962 0 40 DHAB Cc1nn(C)c(C)c1CNc1ccc2cccc(Cl)c2n1 96001964 OYSMUDZJRQPESQ-UHFFFAOYSA-N 300.793 3.851 0 40 DHAB CCc1ccccc1NC(=O)NC[C@@H]1CCCCN1CC(C)C 97020514 ADQPHQZCZHHBLM-KRWDZBQOSA-N 317.477 3.881 0 40 DHAB CCOC(=O)c1cnc2cc(-c3ccccc3Cl)nn2c1C 98179986 WWQOSMVRCXDIOQ-UHFFFAOYSA-N 315.760 3.535 0 40 DHAB S=C(N[C@H]1CCCc2ccccc21)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100999058 FPTCJJAESGOLQE-QIJZBDPFSA-N 300.471 3.717 0 40 DHAB Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1Cl 102316980 BGQPHKSYOZJYPI-UHFFFAOYSA-N 319.836 3.517 0 40 DHAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NC(C)(C)C)cn2)C1 223882639 PEOWAABWDPIJIS-CHWSQXEVSA-N 320.506 3.649 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2cc(C)ccc2C)c(C)c1 224392278 MWXVGMKDCYCWNO-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COC 224682510 WZEOXEOJMYAYKH-AWEZNQCLSA-N 313.397 3.723 0 40 DHAB O=C(c1cscn1)N1CCC(F)(c2ccccc2Cl)CC1 225597190 KKYJTZGTFDWHAB-UHFFFAOYSA-N 324.808 3.898 0 40 DHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 225605039 BLASGSUVJOCVJM-AWEZNQCLSA-N 321.417 3.790 0 40 DHAB CCCNC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 227154399 LAHNBKAWRDKAOR-UHFFFAOYSA-N 305.809 3.510 0 40 DHAB CN(C)CCCOc1ccc2c(Cl)c(C(=O)O)sc2c1 228951465 UHBNBHRYHDWJRG-UHFFFAOYSA-N 313.806 3.583 0 40 DHAB CC1(C)CC(=O)[C@@H]2C(c3ccc(Cl)c(Cl)c3)=NN[C@H]2C1 228978757 IHOACUOGBCJMIG-WCQYABFASA-N 311.212 3.675 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@H]1O[C@@H](C)CC[C@@H]1C(C)(C)O2 257217400 CYTRXOGDTVWNMF-PGUXBMHVSA-N 322.401 3.740 0 40 DHAB Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1csnn1 564830546 WSVXTLRBHVFKSO-CYBMUJFWSA-N 303.431 3.706 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 310295 YYZRXYBGIXILTB-MOPGFXCFSA-N 313.397 3.613 0 40 DHAB O=c1oc2ccc(Cl)cc2cc1-c1ccc2c(c1)OCCO2 526752 JIDQDGMCFIISKN-UHFFFAOYSA-N 314.724 3.885 0 40 DHAB biogenic O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1F 1340637 XEEUFFCKTHZZLC-UHFFFAOYSA-N 321.355 3.894 0 40 DHAB CCOC(=O)[C@H]1c2ccc(F)cc2CCN1c1ccc(F)cc1 2527031 BWJONAFBICQYPE-QGZVFWFLSA-N 317.335 3.632 0 40 DHAB CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2764878 LTLKMXQNLMKDRK-HNNXBMFYSA-N 309.818 3.770 0 40 DHAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCC1 4551300 MARDCSUIACNYMQ-UHFFFAOYSA-N 317.392 3.775 0 40 DHAB C[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1 4722518 MBPTZGHRZQEROG-OAHLLOKOSA-N 322.408 3.811 0 40 DHAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C(C)(C)C 5150058 HNFJITWULWSUFL-UHFFFAOYSA-N 314.429 3.621 0 40 DHAB COc1ccc(NC(=O)COc2ccccc2F)cc1Cl 5463995 ZBYPZFGTXWUXCY-UHFFFAOYSA-N 309.724 3.505 0 40 DHAB Nc1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 5589413 WZJUDCSVPPRPOF-UHFFFAOYSA-N 310.184 3.897 0 40 DHAB CCCCCCN1C(=O)/C(=C/c2cccs2)N(C)C1=S 5951086 JWUVEIDEMMACMJ-QBFSEMIESA-N 308.472 3.728 0 40 DHAB [O-][n+]1c2c(n(O)c1-c1ccccc1)-c1cccc3cccc-2c13 6344814 RPMZXICIBUJEFR-UHFFFAOYSA-N 300.317 3.826 0 40 DHAB CC[C@H](C)NC[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C 7015574 SLEVKNBKEAGVQC-UONOGXRCSA-N 313.869 3.900 0 40 DHAB CCc1cccc(NC(=O)COC(=O)/C=C/c2cccs2)c1 7549588 RPHWMBIAQGOQPO-CMDGGOBGSA-N 315.394 3.506 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@H]2CCCC[C@@H]2C)cc1C 8140638 WSWJKDQFBXBMOZ-YOEHRIQHSA-N 301.430 3.961 0 40 DHAB CCCc1nnc2sc(COc3cccc4ccccc34)nn12 8392284 UIGBCRXNJUYVDG-UHFFFAOYSA-N 324.409 3.871 0 40 DHAB C[C@H](Sc1nc(-c2ccccc2)nc2ccccc12)C(=O)O 8497192 BRTVKHUGCCQFEL-NSHDSACASA-N 310.378 3.862 0 40 DHAB Cc1cc(C)c2nc(NS(=O)(=O)c3cccs3)sc2c1 8864730 MBOFTLBUKQERHU-UHFFFAOYSA-N 324.452 3.775 0 40 DHAB COc1cccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)c1 8869156 PVNFYDYYZHTYRP-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB Cc1cc(C)cc(NC(=O)Nc2c(O)c3ccccc3oc2=O)c1 9607303 XKDXBKXEORDDDX-UHFFFAOYSA-N 324.336 3.759 0 40 DHAB Cc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 10156804 HEJLAHKUISOHNT-GFCCVEGCSA-N 310.328 3.826 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCCSCc1ccco1 10327949 CMTJIWDVMLNOMM-UHFFFAOYSA-N 309.818 3.525 0 40 DHAB Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1C 11128654 QJEKJGQCDCOPGY-SFHVURJKSA-N 312.388 3.874 0 40 DHAB O=C(O)[C@H](Oc1cccc(Br)c1)c1ccccc1 11801497 JOQPWSHPJXCJDX-CYBMUJFWSA-N 307.143 3.654 0 40 DHAB Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)c3ccccn3)nc2c1 12221583 LYEPCAVIQZVIPG-QGZVFWFLSA-N 320.396 3.634 0 40 DHAB CC(C)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 12528175 IUTQPBOORSGXIU-UHFFFAOYSA-N 305.381 3.683 0 40 DHAB O=C(Nc1ccccc1O)c1cc(Br)ccc1F 12729256 BBWRUBIASODXAE-UHFFFAOYSA-N 310.122 3.546 0 40 DHAB COc1cccc(CNC(=O)CCCc2c[nH]c3ccccc23)c1 12913967 BLAXFQZKXNVGPM-UHFFFAOYSA-N 322.408 3.816 0 40 DHAB Cc1ccc(F)c(NC(=S)Nc2ccc3c(c2)OCO3)c1 13840281 WGYIAJLPFDRTHE-UHFFFAOYSA-N 304.346 3.672 0 40 DHAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCCCCCC1 14915724 FFCBIOARBWRECM-CQSZACIVSA-N 308.853 3.611 0 40 DHAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736522 DUQLBTYXWKVDRS-NSHDSACASA-N 318.804 3.891 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)NC1CC(C)(C)NC(C)(C)C1 26180487 ROPXRQDLZMDTPW-AWEZNQCLSA-N 317.477 3.664 0 40 DHAB Cc1nccn1-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 28243688 CMIUGVQGQGVGGN-UHFFFAOYSA-N 309.344 3.501 0 40 DHAB O=C(Nc1cccc(F)c1)c1ccc(OC[C@@H]2CCCO2)cc1 28700172 BVFHUCVOTPEQLR-KRWDZBQOSA-N 315.344 3.636 0 40 DHAB COC(=O)c1cc2c(-c3cccs3)nn(-c3ccccc3)c2[nH]1 31773358 IHBIUECHCQEQJG-UHFFFAOYSA-N 323.377 3.869 0 40 DHAB Cc1cccc(NC(=O)c2ccc(Br)c(N)c2)c1 32200396 AXATUQLTSUBYJU-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB Cc1ccc(CNC(=O)c2cccc(-n3cc[nH]c3=S)c2)cc1 32628435 IRVRNXXSLDFCBU-UHFFFAOYSA-N 323.421 3.773 0 40 DHAB in-vitro Cc1ccc(S(=O)(=O)N2CCCCc3ccccc32)cc1 32913170 VDKPYIVOTCSPGI-UHFFFAOYSA-N 301.411 3.527 0 40 DHAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1 36561538 TUUUYDXMIAZNDQ-HNNXBMFYSA-N 313.397 3.558 0 40 DHAB Cc1nc(NC(C)C)sc1C(=O)NCCCc1ccccc1 40286561 PGGALMQZTYZATQ-UHFFFAOYSA-N 317.458 3.634 0 40 DHAB Cc1noc(C)c1CSc1nnc(C)n1C1CCCCC1 41294573 TVJPZKLDMGHIPY-UHFFFAOYSA-N 306.435 3.989 0 40 DHAB Cc1cc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)on1 46635965 POGDPLDANMGIBO-LLVKDONJSA-N 322.767 3.623 0 40 DHAB CC(C)OCc1cccc(CNC(=O)Cc2ccccc2F)c1 49154260 HPWFSDSPBKQKIV-UHFFFAOYSA-N 315.388 3.610 0 40 DHAB CCOCc1ccccc1NC(=O)NCc1ccccc1F 52468728 PMXDLPCGGHCWBH-UHFFFAOYSA-N 302.349 3.684 0 40 DHAB CN(C)[C@H](CNc1ncnc2sccc12)c1ccc(F)cc1 52486039 PMJHHULDMOORBX-CQSZACIVSA-N 316.405 3.545 0 40 DHAB O=c1[nH]c(COCc2ccccc2)nc2sc3ccccc3c12 57771573 ZPBLGJBAKZWRAZ-UHFFFAOYSA-N 322.389 3.855 0 40 DHAB Cc1cnc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)cn1 58192852 PDGUXMXRGOYONF-UHFFFAOYSA-N 319.364 3.854 0 40 DHAB c1cnc(-c2nc(CN(C3CCCC3)C3CC3)cs2)nc1 64809399 YOFVLSHPNOYESV-UHFFFAOYSA-N 300.431 3.507 0 40 DHAB CCc1nc(CN(C)C(=O)CCc2cccc(F)c2F)cs1 69653714 LQIOXDXOEMRXNA-UHFFFAOYSA-N 324.396 3.575 0 40 DHAB Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c(C)s1 72299393 FDXJRPLDYYTBMC-CYBMUJFWSA-N 319.430 3.849 0 40 DHAB C[C@H](Nc1cncc(Cl)n1)c1ccc(-c2cncnc2)cc1 75064379 LRGJPNHSBGGPAQ-NSHDSACASA-N 311.776 3.760 0 40 DHAB Cc1nc2ccc(NC(=O)N(Cc3ccncc3)C3CC3)cc2o1 78261586 OKZBGRCHBUYNEC-UHFFFAOYSA-N 322.368 3.728 0 40 DHAB CCN(C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 78814559 ZMWHCDGJPKWUDA-QFIPXVFZSA-N 322.474 3.752 0 40 DHAB Cc1ccnc(SC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 79440846 AQSGSFRJQIQVFY-CYBMUJFWSA-N 308.447 3.882 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)Nc1ccc([S@@](C)=O)cc1 80127822 CTMITDMDXVJUDP-XMHCIUCPSA-N 316.426 3.615 0 40 DHAB COc1cc(C)c(CN[C@@H](C)c2csc(C)n2)cc1OC 83455806 MRYCDBVAKPNQNL-NSHDSACASA-N 306.431 3.628 0 40 DHAB CCc1cccc(CC)c1NC(=O)N[C@@H](C)C1CCOCC1 89289557 BKZBVXQDCSRFBG-ZDUSSCGKSA-N 304.434 3.748 0 40 DHAB CCCCSCCC(=O)Nc1cccc(-c2nnco2)c1 89954840 OYYKAHPBVDJBBB-UHFFFAOYSA-N 305.403 3.599 0 40 DHAB CCCOc1ccc(NC(=O)NCc2ncoc2C)cc1Cl 92733668 WUQPKTAAZZFHGZ-UHFFFAOYSA-N 323.780 3.747 0 40 DHAB C[C@H](NC1(CN[C@@H](C)c2cnccn2)CCCC1)c1ccccc1 95422914 GCYSLJZYIUAWLE-IRXDYDNUSA-N 324.472 3.791 0 40 DHAB CC[C@H](C)Oc1cc(C)ccc1CN[C@@H](C)c1cnn(C)c1 95969291 LDTQWKRPCJSWQI-GJZGRUSLSA-N 301.434 3.757 0 40 DHAB C[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 96241568 DXTXYANOAPJQDB-OAHLLOKOSA-N 306.409 3.763 0 40 DHAB CC[C@H]([C@@H](N)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96524938 JNBSFQJXABHEKT-MSOLQXFVSA-N 317.454 3.567 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2F)CC1 100809282 VJOIHOVMAVSBHN-GASCZTMLSA-N 322.424 3.751 0 40 DHAB Cc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 101073657 OBMQOTGEFHNHLW-MRXNPFEDSA-N 323.787 3.691 0 40 DHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1nc(-c2cccs2)no1 104807879 LZAACVBAPFQZTA-SRVKXCTJSA-N 318.398 3.668 0 40 DHAB O=C(CCc1cnc2ccccc2c1)c1ccc2c(c1)OCO2 199737505 GWGJLSPHHWNVCM-UHFFFAOYSA-N 305.333 3.779 0 40 DHAB Cc1noc(-c2sccc2NC(=O)c2cc(C)oc2C)n1 207959429 PLQZWLMCSSDYJV-UHFFFAOYSA-N 303.343 3.569 0 40 DHAB O=C(NCc1ccccc1)c1cnc(-c2ccc(Cl)cc2)nc1 222600923 WYAFIEDMMVTZOM-UHFFFAOYSA-N 323.783 3.727 0 40 DHAB COC(=O)[C@@H](C(C)C)N1c2c(OC)cccc2C(C)=CC1(C)C 223211730 JYSONXCAGMISOU-MRXNPFEDSA-N 317.429 3.895 0 40 DHAB Cc1ccc(CC(=O)NCCCOC2CCCCC2)c(C)c1 223799669 MWRKJDIDMICDOB-UHFFFAOYSA-N 303.446 3.702 0 40 DHAB CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccccc1C 225759431 KJWFXTJIDYWBBH-CQSZACIVSA-N 315.442 3.836 0 40 DHAB C[C@H](NC(=O)c1conc1-c1ccccc1)c1ccc(F)cc1 225870343 HMCPYBMYJFNNFZ-LBPRGKRZSA-N 310.328 3.972 0 40 DHAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)CC[C@H]1CCCO1 245287264 BSGJPJTYAPLNQM-USXIJHARSA-N 319.449 3.522 0 40 DHAB C[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@@H](c2ccco2)C1 247346880 AQBMYWVQNNBJBP-VXGBXAGGSA-N 311.428 3.503 0 40 DHAB CN(C[C@@H](O)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 248333341 JXMIXOSOCIMCNA-PHXBYCTMSA-N 323.521 3.843 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 252479729 BLQUQSCENCIJSW-PSASIEDQSA-N 305.271 3.751 0 40 DHAB CC(C)SCCN(Cc1cccc(O)c1)C1CCC(O)CC1 252490500 KVHIXUWLNQYITC-UHFFFAOYSA-N 323.502 3.639 0 40 DHAB CCc1nsc(N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 273274599 ICTYSPWZNRJVBE-ZIAGYGMSSA-N 321.421 3.596 0 40 DHAB N#Cc1cc2ccccc2nc1N1CCC(C(F)(F)F)CC1 316496760 WIWJIIKZHUINIK-UHFFFAOYSA-N 305.303 3.885 0 40 DHAB Cc1ccc(OCC(=O)NCCSC2CCCCC2)cc1C 408705589 JDHBAPOUCUQXKL-UHFFFAOYSA-N 321.486 3.864 0 40 DHAB CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 192874 HPGFDKXGQGPAJM-UHFFFAOYSA-N 315.328 3.843 0 40 DHAB O=C(Cc1coc2ccc3ccccc3c12)NCc1cccnc1 352987 UWGHMFAQERCZMO-UHFFFAOYSA-N 316.360 3.840 0 40 DHAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1ccccc1Cl 386835 LIXPZIQONOIOAF-GFCCVEGCSA-N 303.745 3.537 0 40 DHAB COc1ccc([C@H](CC(=O)NCc2ccco2)C(C)C)cc1 488566 QGVADWWYMLEDGF-QGZVFWFLSA-N 301.386 3.734 0 40 DHAB biogenic COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C(C)C 1238115 SJIAZPZGRTXILG-UHFFFAOYSA-N 300.333 3.939 0 40 DHAB CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 3310225 WOYVGVIVMYKXNM-UHFFFAOYSA-N 316.813 3.820 0 40 DHAB C[C@@H](NC1CC1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 3427112 VNWVKPZBFUQNQR-ZCFIWIBFSA-N 307.608 3.726 0 40 DHAB Cc1ccc(Cn2cc(C(=O)O)c(-c3ccc(C)cc3)n2)cc1 4207426 NISVQGJFHYVQSN-UHFFFAOYSA-N 306.365 3.913 0 40 DHAB CN(C)C(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 4340199 GYOONAXLKYIKJS-UHFFFAOYSA-N 309.321 3.520 0 40 DHAB biogenic COc1ccc(-c2noc(-c3ccc(OC)c(F)c3)n2)cc1 4600608 ZHUJVLJKNHHVKZ-UHFFFAOYSA-N 300.289 3.560 0 40 DHAB CCc1cc(=O)[nH]c(SCc2ccc(Cl)cc2Cl)n1 4945277 QUZYORABEAMWDY-UHFFFAOYSA-N 315.225 3.931 0 40 DHAB C[C@H]1CCCCN1CC(=O)NC(c1ccccc1)c1ccccc1 4968579 HUAVVMNRDYDBOF-KRWDZBQOSA-N 322.452 3.767 0 40 DHAB COc1cc(C)cc(OC)c1Oc1ncnc2sccc12 6083568 FULCQDUDPYESEN-UHFFFAOYSA-N 302.355 3.809 0 40 DHAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Sc1nc(C)cs1 7195418 VCRBWCVVVPQLST-MNOVXSKESA-N 324.475 3.738 0 40 DHAB Cc1cc(CSc2nnc(-c3cccs3)n2C2CC2)no1 7763809 ZLSJYYSWIDWDKG-UHFFFAOYSA-N 318.427 3.930 0 40 DHAB c1ccc2oc(CSc3nnc(C4CC4)n3C3CC3)nc2c1 7905337 OQSUTANBOWJWNP-UHFFFAOYSA-N 312.398 3.924 0 40 DHAB COC(=O)COc1ccc(-c2ccccc2)cc1Br 8377815 MWEVJRJUYWZFQK-UHFFFAOYSA-N 321.170 3.668 0 40 DHAB O=C(Nc1ccccc1O)c1ccc(CN2CCCCC2)cc1 8723828 QPCRISBWHMZTGN-UHFFFAOYSA-N 310.397 3.630 0 40 DHAB Cc1cccc(-n2c(SC(C)C)nc3ccccc3c2=O)n1 8780329 SXGDWEWEUPTFDR-UHFFFAOYSA-N 311.410 3.590 0 40 DHAB Cc1ccc(Cc2cnc(NC(=O)c3cc(C)no3)s2)cc1 8849619 UMHKAEODJGYGOX-UHFFFAOYSA-N 313.382 3.591 0 40 DHAB O=C(c1n[nH]c2ccccc12)N(Cc1ccccc1F)C1CC1 9156644 VRSQJXAJCYOROI-UHFFFAOYSA-N 309.344 3.507 0 40 DHAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)oc1C 9483078 HREIEKZBGMBUPL-UHFFFAOYSA-N 308.337 3.911 0 40 DHAB Cc1nnc(S[C@H](C(=O)O)c2ccccc2)c2ccccc12 9970819 WULVLTYSPIZRMK-HNNXBMFYSA-N 310.378 3.856 0 40 DHAB O=C(COc1ccc(Cl)cc1)Nc1ccc2scnc2c1 10217472 NKOMLKJYYJSAMM-UHFFFAOYSA-N 318.785 3.967 0 40 DHAB CC(C)Oc1ccc(CCCNC(=O)c2ccccc2F)cc1 10542352 ZVGSXYRDGWVKPZ-UHFFFAOYSA-N 315.388 3.976 0 40 DHAB C[C@H](Nc1ccccc1)C(=O)Nc1ccccc1OC(F)F 12542932 VOLDHQUEXGNQMO-NSHDSACASA-N 306.312 3.727 0 40 DHAB O=C(NCCCn1ccc2ccccc21)c1cc(F)cc(F)c1 12556404 ZYYRJSBILQTCMF-UHFFFAOYSA-N 314.335 3.740 0 40 DHAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1Cl 13709714 NDTYTQPTGADPCZ-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB COC(=O)[C@H](C)c1cccc([C@H](c2ccccc2)n2ccnc2)c1 13898181 YRSBGQIQVSGCJT-BEFAXECRSA-N 320.392 3.797 0 40 DHAB in-man Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)c(C)c1 14137097 VOWSNHYUBCQPHB-UHFFFAOYSA-N 311.381 3.646 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1F 18114094 TVPZZDJNNFYPQW-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB CCCc1cc([C@H]2CCCCCN2Cc2cnn(CC)c2)no1 19525422 QUFXDYFBXSSWIP-GOSISDBHSA-N 316.449 3.961 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCCC(C)(C)C1 20042187 FPLIRBSCDGXSMU-MRXNPFEDSA-N 305.418 3.501 0 40 DHAB CCC[C@H](NC(=O)[C@@H](C)Sc1nncs1)c1ccccc1 21334964 ITNNZWBKWGHTFY-YPMHNXCESA-N 321.471 3.676 0 40 DHAB Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 22235192 KXXBKDXXXWEXLB-UHFFFAOYSA-N 318.376 3.508 0 40 DHAB C[C@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1cccs1 25176341 OTRNXRKCPFGRKY-NSHDSACASA-N 314.410 3.588 0 40 DHAB COc1ccc(N[C@H](C)c2nc(-c3cccs3)no2)cc1 26982514 AVLDPGHUVZYONP-SNVBAGLBSA-N 301.371 3.980 0 40 DHAB CCSc1ccccc1NS(=O)(=O)Cc1ccccc1 30855511 KQCFEFDAFOBFOW-UHFFFAOYSA-N 307.440 3.741 0 40 DHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 31549586 ZTXQNPQSJFMGSV-BDJLRTHQSA-N 312.344 3.673 0 40 DHAB Cc1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 32754667 GEUIYFGZDSBEAL-UHFFFAOYSA-N 317.392 3.801 0 40 DHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)(C)C 32967611 YMLNTFXIXYSXIF-UHFFFAOYSA-N 306.406 3.710 0 40 DHAB C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)s1 37020896 BHJSUOSPYWNLPB-ZYHUDNBSSA-N 308.834 3.669 0 40 DHAB O=C(c1cccc(F)c1)N1CCCN(CC2CCCCC2)CC1 40063095 ZHDCDEAXYCCYDP-UHFFFAOYSA-N 318.436 3.554 0 40 DHAB Cc1cc(C2=Nn3c(nnc3C3CCCCC3)SC2)c(C)[nH]1 44978367 HLLHQVWQEIVTTQ-UHFFFAOYSA-N 315.446 3.629 0 40 DHAB Cc1cccnc1NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 46613804 PJSVQCOTOJOCDB-NSHDSACASA-N 321.327 3.874 0 40 DHAB CCn1c(CN[C@@H]2CCOc3ccccc32)nc2ccccc21 54041125 DWIZOKZOSWEQIP-OAHLLOKOSA-N 307.397 3.670 0 40 DHAB Cc1ncsc1C(=O)O[C@H](c1ccccc1)c1ccccn1 55113736 FJGPFJKRIZBMEZ-OAHLLOKOSA-N 310.378 3.793 0 40 DHAB C[C@H]1CCCC[C@H]1OCCSc1nnc(C(F)(F)F)n1C 58245200 BJQUIFSDNUOHNE-VHSXEESVSA-N 323.384 3.521 0 40 DHAB C[C@H](c1cccnc1)N(C)C(=O)NCCCc1cccc(F)c1 69148006 HVRDLSQRPZNVIK-CQSZACIVSA-N 315.392 3.556 0 40 DHAB O=C(Nc1ccccc1NC(=O)C1CCC1)c1cccs1 69489941 IKTFUFJUWHRXJH-UHFFFAOYSA-N 300.383 3.739 0 40 DHAB Cc1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)o1 72366755 NTYRXICVRXATBU-KRWDZBQOSA-N 308.385 3.506 0 40 DHAB Cc1cc(C)c2cc3c(nc2c1)OC(=O)N(Cc1ccco1)C3 72396336 DBCYTGFZJJUFQI-UHFFFAOYSA-N 308.337 3.959 0 40 DHAB C[C@@H](O)CNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 72713959 PPEWEBVNBFZBNP-SECBINFHSA-N 300.185 3.724 0 40 DHAB O=C(NCc1cccs1)c1ccc(Oc2nccs2)cc1 77890242 SQHJNQVETVWVBH-UHFFFAOYSA-N 316.407 3.927 0 40 DHAB Cc1nccn1CCN1CCC[C@@H]1Cc1ccccc1Cl 89735722 DGBSGGNWFDUDNX-MRXNPFEDSA-N 303.837 3.552 0 40 DHAB c1ccc(-c2cc(CN3CCCC[C@@H]3c3ncc[nH]3)[nH]n2)cc1 92730133 ILJOBEVFPDTXHV-QGZVFWFLSA-N 307.401 3.527 0 40 DHAB Cc1nnc2ccc(N[C@@H]3c4ccccc4CCC3(C)C)nn12 95973099 UCDDPCQCIYJFIT-QGZVFWFLSA-N 307.401 3.558 0 40 DHAB O=C(/C=C/c1cccc(O)c1)N1CCC[C@@H](Nc2ccccc2)C1 96004359 ALVZUIJFXVYVGT-IENJSVCTSA-N 322.408 3.509 0 40 DHAB Cc1ccccc1NC(=O)NCC[C@H](O)c1cc2ccccc2o1 96097309 HJBILUBRTVUDIK-INIZCTEOSA-N 324.380 3.986 0 40 DHAB CO[C@@H]1CCCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)C1 96122450 PXVCTSVKHOQSEU-MAUKXSAKSA-N 314.429 3.597 0 40 DHAB CC(C)n1ccc(-c2cc(C(=O)N3CCCC3)c3ccccn23)n1 96154704 JRUQGIWXWSJVMJ-UHFFFAOYSA-N 322.412 3.620 0 40 DHAB C[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1ncc(-c2ccccc2)o1 96436991 CEJCYUSAPARNIM-NSHDSACASA-N 321.336 3.949 0 40 DHAB Cc1cc(CN2CCC(OC3CCOCC3)CC2)ccc1Cl 97057364 ZRYHGJJZWMRBPL-UHFFFAOYSA-N 323.864 3.808 0 40 DHAB Cc1ncsc1CNCc1cn(C)nc1C1CCCCC1 97372263 SZKUJNOXCOKCNB-UHFFFAOYSA-N 304.463 3.523 0 40 DHAB COc1cc(CCNC2CCC(C(F)(F)F)CC2)ccc1O 97379797 MHUVDSZDGMFYEU-UHFFFAOYSA-N 317.351 3.654 0 40 DHAB Cc1ccc(-c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)cn1 100733098 PASNCUGSSCCQOS-UHFFFAOYSA-N 316.364 3.781 0 40 DHAB O=C(c1ccc(Oc2ccccc2)cc1)N1[C@@H]2CCC[C@@H]1COC2 101328557 DQPXJTNEOVZQAO-IAGOWNOFSA-N 323.392 3.872 0 40 DHAB C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102864140 BODPWXQMNACCCN-MMNPAVHPSA-N 324.424 3.825 0 40 DHAB Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)Nc2ccccc21 103704790 UQBJXFWNRGBWRN-GFCCVEGCSA-N 314.772 3.713 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)N[C@H]1C[C@H]1c1ccccc1F 104491013 PZGHOKMRQSGPRN-YOEHRIQHSA-N 308.356 3.901 0 40 DHAB O=C(C1CCC(F)(F)CC1)N1CCC[C@H](c2nccs2)C1 128612108 CRQQSAQPEMJYTF-LBPRGKRZSA-N 314.401 3.675 0 40 DHAB C[S@@](=O)C[C@@H](NCc1coc2ccccc12)c1ccccc1 154696837 LNNMUBGYCFMQJT-VGSWGCGISA-N 313.422 3.642 0 40 DHAB Cc1c([C@H](N)C(F)(F)F)sc2nc(-c3ccccc3)cn12 211441095 JFTLGCPIBXQTPS-LBPRGKRZSA-N 311.332 3.933 0 40 DHAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)[nH]3)N21 222718073 JKVNMSSMJDLQJL-VBNZEHGJSA-N 312.442 3.698 0 40 DHAB Cc1ccccc1CSCCNC(=S)Nc1ccncc1 225363058 QXCPGZHCPMFJCB-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cn1 225860898 QCUKNIPWXSGFIX-UHFFFAOYSA-N 310.397 3.849 0 40 DHAB Cc1ccc2oc(=O)c(C(=O)Nc3c(C)cccc3C)cc2c1 226036360 LRUACKBLVXFICN-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccs1 226254169 RRKZSPIABXXFME-GFCCVEGCSA-N 315.442 3.961 0 40 DHAB COC(=O)c1cc(Cl)ccc1C(=O)COCc1ccccc1 390726761 DZWMQDUHJCHEEQ-UHFFFAOYSA-N 318.756 3.526 0 40 DHAB O=C(COCc1ccccc1)NCc1ccc(-c2ccoc2)cc1 390831738 ULXOSVFSQHSJKV-UHFFFAOYSA-N 321.376 3.780 0 40 DHAB Cc1cccc(O[C@@H]2CCC[C@H](NCC3CCCCC3)[C@H]2O)c1 585288851 KFQYNTOBEUQEGP-XUVXKRRUSA-N 317.473 3.826 0 40 DHAB COc1ccc(C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 952963374 PJUGGVGZPWJZGX-UHFFFAOYSA-N 314.724 3.686 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1C 367898 SVULIAJBYRUBOP-UHFFFAOYSA-N 324.424 3.942 0 40 DHAB O=C1O[C@H](C(=O)Nc2cccc3ccccc23)Cc2ccccc21 536639 PWRWAEVQRKOSBO-SFHVURJKSA-N 317.344 3.560 0 40 DHAB Cc1ccc(CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 571606 YAEUFECBVQKGSN-UHFFFAOYSA-N 303.427 3.578 0 40 DHAB O=C(N/C=C/c1ccco1)OCc1ccc(Br)cc1 1382465 OPRWUACTFLPSTG-BQYQJAHWSA-N 322.158 3.939 0 40 DHAB CN(C)Cc1c(OC(=O)c2ccc(N)cc2)ccc2ccccc12 1688835 NEWNVIKFDTUAHW-UHFFFAOYSA-N 320.392 3.703 0 40 DHAB Cc1nc2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3 2227014 XGEGAFOGRVNOMI-UHFFFAOYSA-N 321.409 3.588 0 40 DHAB Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1C 2635875 QOYGFGJRVUQHRM-UHFFFAOYSA-N 311.410 3.911 0 40 DHAB Cc1ccc(NC(=O)CSCc2c(C)noc2C)cc1C 2656159 XDSMYBCCVAGNHG-UHFFFAOYSA-N 304.415 3.780 0 40 DHAB Cc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)cc1C 2715822 KHGKUUDKTIBRBY-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB Cc1cc(=O)oc2cc(OC(=O)/C=C/c3cccs3)ccc12 3360042 SAVBNHDMKAZTSF-FNORWQNLSA-N 312.346 3.782 0 40 DHAB C[C@H]1CCc2nc(NC(=O)/C=C/c3cccs3)sc2C1 4078618 PEDSMZCVWQANOQ-STUBTGCMSA-N 304.440 3.981 0 40 DHAB O=C(Nc1nc2cc3c(cc2s1)OCO3)C1CCCCC1 4325786 XMRXWDVHHPOPJX-UHFFFAOYSA-N 304.371 3.544 0 40 DHAB Cc1ccccc1Nc1nc(C(=O)N2CCCCC2)cs1 4687883 DPCNWTAMSCPBBU-UHFFFAOYSA-N 301.415 3.821 0 40 DHAB O=C1CSC2=NC3=C(CCC3)[C@H](c3ccccc3Cl)N12 6829350 UTURNGUORNQGLU-AWEZNQCLSA-N 304.802 3.764 0 40 DHAB CCc1nc2ccc(C(=O)N3CCCCCC3)cc2nc1CC 7064280 CRCWVZZNXPFLMK-UHFFFAOYSA-N 311.429 3.771 0 40 DHAB Cn1cccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 7088054 QVHUIEPWLVFJBO-GOSISDBHSA-N 303.365 3.796 0 40 DHAB O=C1c2ccccc2N[C@H](c2cccs2)N1CC(F)(F)F 7113183 WODKXDRQUWIVGC-LBPRGKRZSA-N 312.316 3.877 0 40 DHAB CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 8064279 UXGFPUJVTUCPFS-UHFFFAOYSA-N 317.776 3.686 0 40 DHAB CNCCCNCc1ccccc1OCc1ccc(Cl)cc1 8377252 NKEXPNYIDTUEHF-UHFFFAOYSA-N 318.848 3.618 0 40 DHAB Cc1cccn2cc(CSc3ncnc4ccsc34)nc12 9364132 VYDOYKFVZPJQCL-UHFFFAOYSA-N 312.423 3.940 0 40 DHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 9691859 PEHUCPITWHFLNE-GFCCVEGCSA-N 317.772 3.949 0 40 DHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)NC(=O)OC(C)(C)C 10042618 UHDLWUQOUMDDEO-JTQLQIEISA-N 312.797 3.500 0 40 DHAB Cc1ccc(Oc2ccc(NC(=O)c3cnccn3)cc2)cc1 10631036 DSTSUHHFTUPRAZ-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CC(C)NC(=O)[C@@H](C)Sc1nc(C2CC2)nc2ccccc12 10945613 RIHVUBCEDKNEEI-LLVKDONJSA-N 315.442 3.512 0 40 DHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C(C)(C)C)on1 12186900 LGENGPWRHCJORC-UHFFFAOYSA-N 300.406 3.728 0 40 DHAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)c2ccc(F)cc2N1 12754635 VZQRTSVQUNDLRH-CYBMUJFWSA-N 318.735 3.544 0 40 DHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccn(-c3ccccc3)n2)cc1 12905589 LAGRBEBTKYENJA-HNNXBMFYSA-N 321.380 3.587 0 40 DHAB COc1ccccc1[C@H](CC(=O)NCc1cccnc1)C(C)C 13730767 DFSAQZSDXXMGCR-QGZVFWFLSA-N 312.413 3.536 0 40 DHAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)c2cccc(Cl)c2)n1 14094209 ZLXMTKAAKYBFOQ-VIFPVBQESA-N 309.822 3.945 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl 14908654 HOFAPQAKCYLMCU-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB COc1ccc2cc3c(nc2c1)N(C(=O)c1cccc(F)c1)CC3 15842121 MYBOFLGKARYJOI-UHFFFAOYSA-N 322.339 3.585 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1OC 15966591 OIODHXXMQHNZQJ-PBHICJAKSA-N 313.397 3.730 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(F)(F)F)C2)cc1 16377718 IFUGPBBKKTUWFO-QWHCGFSZSA-N 314.351 3.596 0 40 DHAB Cc1ccc(CN(C)C(=O)COc2ccc3ccccc3c2)o1 17957461 SWNISGRPGNWILQ-UHFFFAOYSA-N 309.365 3.779 0 40 DHAB Cc1ccc(NC(=O)c2cccc(Br)c2)c(N)c1 20343281 ANOYGOKHJYMHGK-UHFFFAOYSA-N 305.175 3.592 0 40 DHAB O=C(CCCC1CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 27465946 HEUNFVVVVIFEJF-UHFFFAOYSA-N 301.390 3.545 0 40 DHAB CCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27582702 MYKDRCCAVFCVOT-MRXNPFEDSA-N 308.853 3.783 0 40 DHAB COc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1C 27664654 CPNFIKIJUKUIBV-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB O=C(CNc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 30284563 FMPQPUHQAQKBMC-UHFFFAOYSA-N 312.266 3.895 0 40 DHAB CCc1ccc([C@@H](C)NC(=O)Cc2ccc(NC(C)=O)cc2)cc1 32736331 GYKFVPIFYJTXJL-CQSZACIVSA-N 324.424 3.627 0 40 DHAB CC(=O)N1CCc2cc(NC(=O)c3cc(C)sc3C)ccc21 32739239 AEMPZOPGRZAYGK-UHFFFAOYSA-N 314.410 3.526 0 40 DHAB Cc1cc(Br)ccc1NC(=O)CC[C@@H]1CCCO1 32816076 CLKUCDXWAROXDI-LBPRGKRZSA-N 312.207 3.655 0 40 DHAB CCCCN(C(=O)Cc1cn2ccsc2n1)c1ccccc1 32994326 USQPQNWHYNODGD-UHFFFAOYSA-N 313.426 3.772 0 40 DHAB Cc1cccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1C 40095296 JJLOYWYDGLTALI-INIZCTEOSA-N 318.804 3.812 0 40 DHAB COCCCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 40132158 OHPRDSZZDRYLLH-UHFFFAOYSA-N 324.833 3.752 0 40 DHAB Cc1nnc(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)s1 40140566 GMSPEZRWLULUEH-SNVBAGLBSA-N 319.430 3.550 0 40 DHAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCO[C@H]2CCCC[C@@H]21 46495270 RICBWWONIQARDJ-RFGFWPKPSA-N 319.367 3.525 0 40 DHAB CC(C)Oc1cccc(CNC(=O)Cc2ccccc2Cl)c1 46655478 ZXMHMRRXGAHSCN-UHFFFAOYSA-N 317.816 3.986 0 40 DHAB CCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 47371776 BRQSUXHHZHPLOK-UHFFFAOYSA-N 306.369 3.877 0 40 DHAB Cc1nc(C)c([C@H](C)NC(=O)C2(c3ccc(F)cc3)CC2)s1 56023530 LXAVJXUVRRMMLF-NSHDSACASA-N 318.417 3.808 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2cccc(O)c2)s1 69462170 GBZQOENPULBXHF-CABCVRRESA-N 301.411 3.524 0 40 DHAB C[C@H](NC(=O)N(Cc1ccccc1F)C1CC1)c1cccnc1 71793561 INSRWIBMSNWVQH-ZDUSSCGKSA-N 313.376 3.656 0 40 DHAB C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cccnc1 71884268 MUNZQVMCJDBZHH-INIZCTEOSA-N 317.392 3.880 0 40 DHAB O=C(Nc1cccc2[nH]cnc12)c1sccc1Br 71911520 IZVYULWAGWHSMW-UHFFFAOYSA-N 322.187 3.639 0 40 DHAB CC(C)(C)OC(=O)N(c1ncccc1C1=NCCC1)C1CC1 72215363 MSVUWPIGMBJWEN-UHFFFAOYSA-N 301.390 3.568 0 40 DHAB Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72218768 BJHUSGJORYMVKO-HNNXBMFYSA-N 319.449 3.918 0 40 DHAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc2c(c1)CCC2 72234004 ZISBSXXNUUXZAY-GOSISDBHSA-N 323.440 3.503 0 40 DHAB C[C@@H](Nc1nc(C(F)F)nc2ccccc12)C1CCN(C)CC1 72284380 RPVXTMQJJDARPW-LLVKDONJSA-N 320.387 3.710 0 40 DHAB CCC(CC)c1cc(C(=O)N(C)Cc2cccc(OC)c2)on1 72295247 AFHZVMUTMXUDHO-UHFFFAOYSA-N 316.401 3.859 0 40 DHAB CCc1cnc(CNC(=O)Nc2cccc3[nH]ccc23)s1 76070279 GPIRUCABFAVQPY-UHFFFAOYSA-N 300.387 3.509 0 40 DHAB Cc1cnc(C(C)(C)NC(=O)NC[C@@H](C)c2ccsc2)s1 80159058 PPZIMWCIDMPEDD-SNVBAGLBSA-N 323.487 3.851 0 40 DHAB CCN(Cc1nc(C2CC2)no1)c1ccc(Br)cc1 89969395 KOECJOYHRMAHSO-UHFFFAOYSA-N 322.206 3.736 0 40 DHAB CC(C)n1ncc(C(=O)N[C@@H](C)C(C)(C)C)c1C(F)(F)F 95978691 VKNMLODYCUZWTN-VIFPVBQESA-N 305.344 3.647 0 40 DHAB Cc1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)c[nH]2)cc1 96296220 UIMKLTTUTVFKOB-INIZCTEOSA-N 313.445 3.589 0 40 DHAB biogenic,in-vitro Cc1csc([C@H](C)CNC(=O)N[C@H](C)c2cc(C)oc2C)n1 97110430 JVBIFXMVWKJKQS-BXKDBHETSA-N 321.446 3.825 0 40 DHAB COc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1cccc(C)c1 101084810 HPOVCLPLUYIJNC-HNAYVOBHSA-N 324.380 3.773 0 40 DHAB CCOC(=O)c1cnc2c(Cl)cc(C(F)(F)F)cc2c1O 103289225 SAGSIMTWBFTLNA-UHFFFAOYSA-N 319.666 3.789 0 40 DHAB Cc1ccccc1O[C@@H](C)C(=O)NCCSC1CCCCC1 216237107 DHYWSBZTMSTBLR-HNNXBMFYSA-N 321.486 3.944 0 40 DHAB Cc1ccc(CNC(=S)Nc2cc(C)c(Cl)cn2)cc1 223942799 FUOCRTRREJYACP-UHFFFAOYSA-N 305.834 3.838 0 40 DHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 224971729 NIUCIXHCZNWUCV-UHFFFAOYSA-N 321.467 3.932 0 40 DHAB CCCNC(=O)c1ccc(Nc2ccc(Cl)cc2)c(N)c1 225423835 QFFIFCXLSHTGDI-UHFFFAOYSA-N 303.793 3.806 0 40 DHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCOCC)cc1 225731355 XEWZPBZPQPMPTQ-SFHVURJKSA-N 323.433 3.636 0 40 DHAB CCOc1cc(NC(=O)C2CCCCC2)cc2sc(N)nc12 226312570 ORBSAMASAQLJIR-UHFFFAOYSA-N 319.430 3.796 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H]2CCCC[C@H]2C1 247354934 XJDMALUZDHQWRU-OLZOCXBDSA-N 313.850 3.541 0 40 DHAB Cc1ccsc1C(=O)N1CCC(Cc2ccncc2)CC1 257280349 OKMGCZRFLHIPRV-UHFFFAOYSA-N 300.427 3.546 0 40 DHAB O=C(NCC[C@H]1CCCOC1)N1CCC[C@H]1CC1CCCC1 528096560 JAVXATQQZQVFCT-SJORKVTESA-N 308.466 3.557 0 40 DHAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(C2CC2)nc1 585150460 XGNKUAHQUQXXMD-UHFFFAOYSA-N 318.779 3.610 0 40 DHAB Cc1c(-c2nnnn2-c2ccc(Cl)cc2)cnc2ccccc12 161669 VFMAJEMMXHCJGA-UHFFFAOYSA-N 321.771 3.839 0 40 DHAB O=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccccc1 1352893 WHMMCNGYYCJEJG-UHFFFAOYSA-N 323.377 3.648 0 40 DHAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)cc2)cc1 2620562 GTCXPLHAVSLWQX-UHFFFAOYSA-N 315.344 3.826 0 40 DHAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccn1 3239739 WDMMKUCIHVPQRN-IBGZPJMESA-N 317.344 3.863 0 40 DHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 3326793 RWTGIHCINVIKHO-WFASDCNBSA-N 324.380 3.542 0 40 DHAB COc1ccccc1/C=C/C(=O)NCc1cccc(Cl)c1 3565387 KKMVCZLWLUXSBR-MDZDMXLPSA-N 301.773 3.678 0 40 DHAB COC(=O)c1ccsc1NC(=O)c1ccc(OC(C)C)cc1 4275686 WHOFVFCICVAANU-UHFFFAOYSA-N 319.382 3.574 0 40 DHAB C[C@H](CCc1ccccc1)NC(=O)Cn1ccc2ccccc21 4598821 UYUFBSBPTYTHEF-MRXNPFEDSA-N 306.409 3.779 0 40 DHAB O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)cc1 5105752 VYNUNOZCGNACCI-UHFFFAOYSA-N 303.770 3.686 0 40 DHAB CC(=O)c1ccccc1OC(=O)c1ccc(Br)cc1 5283810 JVVISMYZXVIGLC-UHFFFAOYSA-N 319.154 3.871 0 40 DHAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1F 5697203 LTMCIXUDRDVFDQ-UHFFFAOYSA-N 322.792 3.914 0 40 DHAB O=Cc1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 6258556 PYLXXVYWXKAISK-UHFFFAOYSA-N 323.270 3.535 0 40 DHAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)c1 7541316 RXXBHQNVKODDBJ-OAHLLOKOSA-N 311.381 3.912 0 40 DHAB O=C(/C=C/c1ccc2c(c1)OCO2)OC/C=C/c1ccccc1 7602267 BPKSINUHKYEBER-WUZDHUPESA-N 308.333 3.685 0 40 DHAB O=C(NCc1ccncc1)c1cc2c(s1)-c1ccccc1CC2 8344007 XFRXSTSJLFJKPT-UHFFFAOYSA-N 320.417 3.839 0 40 DHAB COCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 8469107 DXYHAYGYXYCSAK-UHFFFAOYSA-N 323.795 3.794 0 40 DHAB CCc1nnc(NC(=O)c2cc3cc(C)ccc3nc2C)s1 8724796 XGEABXHJFCYDCT-UHFFFAOYSA-N 312.398 3.518 0 40 DHAB COc1ccc2c(CC(=O)Nc3ccc(C)cc3O)coc2c1 9155790 DJVZWFCVIPXSTL-UHFFFAOYSA-N 311.337 3.637 0 40 DHAB O=C(CSc1ccccc1)Nc1nnc(C2CCCCC2)o1 10881653 KKNZWPXGCFDXHK-UHFFFAOYSA-N 317.414 3.848 0 40 DHAB Cc1ccc([C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1 13816238 OHHMIZWQQDSCOV-LBPRGKRZSA-N 314.410 3.771 0 40 DHAB COc1ccccc1OCCC(=O)Nc1cccc2cccnc12 14196577 FEOLTKLJWCOHTC-UHFFFAOYSA-N 322.364 3.651 0 40 DHAB CCc1cccc(Nc2cc(C)nc3nc(-c4ccco4)nn23)c1 15780365 VLXHOGUHXXYUIQ-UHFFFAOYSA-N 319.368 3.999 0 40 DHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1CCCCC1 20540569 QKOHMMASGGHFEY-KRWDZBQOSA-N 302.418 3.705 0 40 DHAB C[C@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 25874843 IHBHBANPQCHNKV-AWEZNQCLSA-N 315.438 3.605 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccccc1 30750838 RKLMOVQQPPAMDZ-RDTXWAMCSA-N 313.397 3.730 0 40 DHAB CC[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 30863709 MCTWUCGDPVQQCN-INIZCTEOSA-N 323.845 3.911 0 40 DHAB C[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 31719435 RUSXYSPNUUXXDR-LPHOPBHVSA-N 309.409 3.579 0 40 DHAB in-vitro CCc1noc(-c2ccccc2NC(=O)c2ccc(OC)cc2)n1 33012688 VJGCDQBSOHRAHT-UHFFFAOYSA-N 323.352 3.560 0 40 DHAB Cc1ccc(CN(C)[C@H](C(=O)N(C)C)c2ccccc2)c(C)c1 39987578 SRPYAZDOODDIID-IBGZPJMESA-N 310.441 3.565 0 40 DHAB Cc1ccc(CNC(=O)CCOc2cccc(C)c2C)s1 40122228 BWBUZIQBJMMXTD-UHFFFAOYSA-N 303.427 3.759 0 40 DHAB CCC(CC)N(C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2 40151511 DEMRLJSIBRYQBE-UHFFFAOYSA-N 307.459 3.517 0 40 DHAB CC[C@H](C)c1noc([C@H]2CCCCN2C(=O)c2ccco2)n1 41123377 BQSARCMYWLPKSI-NWDGAFQWSA-N 303.362 3.544 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C 44848777 LOYOFANNNWETAC-ACJLOTCBSA-N 313.372 3.961 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCCSC2CCCC2)c1 46450679 DEXXGSMPLOFFJB-CQSZACIVSA-N 307.459 3.554 0 40 DHAB C[C@H](NC(=O)N(C)Cc1csc2ccccc12)[C@@H]1CCCO1 46972503 XIRMQQDNZPPQPG-WFASDCNBSA-N 318.442 3.610 0 40 DHAB CCN(CC)CCC[C@H](C)NC(=O)CSc1ccc(C)cc1 57157009 CUTQXTQPARBDJG-INIZCTEOSA-N 322.518 3.714 0 40 DHAB CCOC1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 65563954 DDXIJCZOVFBBME-MRXNPFEDSA-N 303.446 3.673 0 40 DHAB CN(C(=O)CS[C@H]1CCCc2ccccc21)c1nccs1 69771756 NZJARDOOMRBNRM-AWEZNQCLSA-N 318.467 3.917 0 40 DHAB COc1ccc(Nc2nc(-c3ccccn3)nc(C)c2C)cc1 71882452 FQPBGDGAHPFXQM-UHFFFAOYSA-N 306.369 3.908 0 40 DHAB CCOc1ccc(CNC(=O)c2ccc(Cl)cc2OC)cc1 72331750 DTKBSJOXTPLVLW-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB C[C@H](Sc1nc(N)cc(N)n1)c1ccc(C(F)(F)F)cc1 78480828 XLFBHXSMODHARP-ZETCQYMHSA-N 314.336 3.513 0 40 DHAB Brc1ccc2nc(CSCc3ccon3)cn2c1 84495845 XKYQTUTYLKBIGQ-UHFFFAOYSA-N 324.203 3.518 0 40 DHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)CC2=CCCCC2)c1 84656125 ZZIKZMWEZPWZKZ-CYBMUJFWSA-N 300.402 3.713 0 40 DHAB CCNc1ccnc(CN(C)[C@H](C)c2cc(F)ccc2F)c1 89977921 JEALVYMEQKGOQV-GFCCVEGCSA-N 305.372 3.985 0 40 DHAB CC[C@@H]1CCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 95377522 PYISLCGMUKKGEM-MRXNPFEDSA-N 310.401 3.940 0 40 DHAB Cc1cnc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C)c1 96002233 UVWFVTZITVXVFW-GFCCVEGCSA-N 304.777 3.758 0 40 DHAB CO[C@@](C)(CNC(=O)/C=C/c1ccsc1)c1ccccc1F 96123524 CTRPMKYTJUNTRU-OZSKJFCKSA-N 319.401 3.578 0 40 DHAB CC(C)CC[C@@H]1CCC[C@@H]1N[C@H](C(N)=O)c1ccc(F)cc1 97105404 SNCPXSYICPIVIM-JQFCIGGWSA-N 306.425 3.547 0 40 DHAB CC[C@@H](Oc1ccccc1)C(=O)NCCSC1CCCC1 222786806 IFYIXRFARNRGSP-MRXNPFEDSA-N 307.459 3.636 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSC1CCCC1 222804798 SWSUKZNURCFKGZ-MRXNPFEDSA-N 321.486 3.944 0 40 DHAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223244683 QLAGZVZTSWILQM-OAHLLOKOSA-N 309.409 3.740 0 40 DHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCCC1 223728635 HKXYZFPGSNVPFQ-GOSISDBHSA-N 301.430 3.735 0 40 DHAB CCCOC1(C(=O)Nc2ccc(OCC)nc2)CCC(C)CC1 225912208 RRQSKNGENBXGCB-UHFFFAOYSA-N 320.433 3.794 0 40 DHAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(Br)c1 245224998 KAPLUGSDFTUCTG-GVXVVHGQSA-N 308.219 3.615 0 40 DHAB CCc1nnc2ccc(N[C@H](C)c3cc(C)sc3C)nn12 267247557 TZGWZSWQEHEHHD-SNVBAGLBSA-N 301.419 3.538 0 40 DHAB Cc1cc([C@H]2CCCN2Cc2cccc(C(=O)O)c2Cl)on1 565104967 WYOABFZRMHAXTD-CYBMUJFWSA-N 320.776 3.672 0 40 DHAB CCOC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 362247 XGXNHAIEWTZSCR-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB CCN(CC)C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 384548 TWJGBVPRZYOMQA-UHFFFAOYSA-N 314.168 3.582 0 40 DHAB Cc1cc(C)n2cc(CNc3cccc(C(F)(F)F)c3)nc2n1 576814 IPTDEJWFVAHUTP-UHFFFAOYSA-N 320.318 3.977 0 40 DHAB CCN(c1ccccc1)[C@H]1SC(=O)N(c2ccccc2)C1=O 1318723 MNEYJKSXMMMVKW-INIZCTEOSA-N 312.394 3.739 0 40 DHAB Cc1cc2nc(CNC(=O)c3ccccc3Cl)[nH]c2cc1C 1385887 XZFPFZKQWLOWFP-UHFFFAOYSA-N 313.788 3.763 0 40 DHAB Cc1cccc(Cn2nc(C)c(NC(=O)c3cccnc3)c2C)c1 1429803 CWNRGODWPPWMIM-UHFFFAOYSA-N 320.396 3.504 0 40 DHAB OC(c1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F 1639246 XYYXVJZPTZAGFE-UHFFFAOYSA-N 301.211 3.609 0 40 DHAB Cc1occc(=O)c1Oc1ncc(C(F)(F)F)cc1Cl 3128577 GHGQQNGTGYIKNB-UHFFFAOYSA-N 305.639 3.808 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)cs2)cc1 3413568 ZCDXXCUXKIXPJS-NSHDSACASA-N 320.439 3.773 0 40 DHAB CC(C)(C)c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 3514805 QVCWQKPPPJGBRO-UHFFFAOYSA-N 317.429 3.590 0 40 DHAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C 3533074 ISRNLUDUGIQPAU-UHFFFAOYSA-N 300.383 3.758 0 40 DHAB O=C(Nc1nnc(C2CC2)s1)c1cc2c(s1)CCCCC2 7407518 RSLRGKZRVIFDOV-UHFFFAOYSA-N 319.455 3.998 0 40 DHAB Cc1cc(COC(=O)CCC(=O)c2ccc3ccccc3c2)on1 8545813 KPKWIMXZOKZJQX-UHFFFAOYSA-N 323.348 3.843 0 40 DHAB CC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2C)nc1-c1ccccc1 8852512 CFYRWCDKEXWUSO-JOYOIKCWSA-N 300.383 3.607 0 40 DHAB CC[C@@H](NC(=O)c1ccoc1)c1ccc(Br)cc1 9447254 NNDHIYVEVUQWLB-CYBMUJFWSA-N 308.175 3.923 0 40 DHAB CC(C)(C)Nc1nnc(Sc2ncnc3sccc23)s1 9647534 LDFFPPMBQVBLJG-UHFFFAOYSA-N 323.472 3.904 0 40 DHAB Cc1ccccc1/N=c1\scc(-c2cccs2)n1CCO 10187289 PEWKZWKFCRDGLS-MSUUIHNZSA-N 316.451 3.811 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c1 10677289 LSZGNTVUGFRIBF-GOSISDBHSA-N 315.438 3.733 0 40 DHAB c1cc(-c2noc(CN3CCC[C@H]4CCCC[C@H]43)n2)cs1 12739581 LUWLQDIYACZGME-TZMCWYRMSA-N 303.431 3.953 0 40 DHAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2C)c1 12793192 LEXPLPLPWQGDDH-UHFFFAOYSA-N 309.344 3.881 0 40 DHAB Cc1nc(C)c2c(C)c(C(=O)N3CCc4ccccc43)sc2n1 12815244 HZNGGFJAHGSMEC-UHFFFAOYSA-N 323.421 3.819 0 40 DHAB Cn1cc(C(=O)OCc2ccccc2Oc2ccccc2)cn1 12972056 YYTSBJJFQIFHFL-UHFFFAOYSA-N 308.337 3.569 0 40 DHAB Cc1ccc([C@@H](Nc2cccc(F)c2)P(=O)(O)O)c(C)c1 12997409 SVNNQQYHZVDVJJ-HNNXBMFYSA-N 309.277 3.731 0 40 DHAB O=C(CCCc1nc2ccccc2s1)NCc1cccs1 13013281 ORHAKJNSBCYHJY-UHFFFAOYSA-N 316.451 3.997 0 40 DHAB COc1ccc(OC)c(NC(=S)Nc2ccc(F)cc2C)c1 13937316 DWCGUNXSRNLQAN-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB Cc1cnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1 14662393 UPMMALSTBLLTSO-UHFFFAOYSA-N 309.394 3.741 0 40 DHAB CCn1cc(CN2CCCCC[C@H]2c2cc(C)no2)c(C)n1 19524543 CIYNPUNMHSDXSO-INIZCTEOSA-N 302.422 3.625 0 40 DHAB CCCn1c(C)cc2cc(NC(=O)[C@@H](C)n3ccnc3)ccc21 19525967 GBSWGZRKAKKRKR-CQSZACIVSA-N 310.401 3.756 0 40 DHAB CCc1c(C(=O)Nc2cc(C)cc(C)c2)nnn1-c1ccccc1 19812563 FGJSEYDXBKNHAT-UHFFFAOYSA-N 320.396 3.699 0 40 DHAB COc1cc(NC(=O)c2ccccc2)ccc1-c1ccc(CO)o1 20137385 GUUUSPDSSNSZEV-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB Cc1nc(COc2ccc(Br)cc2C=O)cs1 20285239 WOBHSELWLJWZSE-UHFFFAOYSA-N 312.188 3.606 0 40 DHAB C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 20549925 JWWVCCCHQUKQQQ-NSHDSACASA-N 309.818 3.917 0 40 DHAB COC(=O)c1sccc1NC(=O)CCCc1cccs1 21589303 DJWVHCMMJUGLRP-UHFFFAOYSA-N 309.412 3.558 0 40 DHAB COc1ccccc1-n1ncc2c(C(C)C)nnc(SC)c21 23137891 CUARECAYSJFPKL-UHFFFAOYSA-N 314.414 3.669 0 40 DHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 32645842 GMOZCCJXSZPVSC-FZMZJTMJSA-N 312.344 3.673 0 40 DHAB Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)CCc1ccco1 32779682 ZYTSQETYIWBJEI-CABCVRRESA-N 300.402 3.970 0 40 DHAB COc1ccc(Cl)cc1COc1ccc(C=O)cc1OC 35181185 FRTXUJKGBGQEOR-UHFFFAOYSA-N 306.745 3.749 0 40 DHAB c1cncc(-c2n[nH]cc2CN[C@@H]2CCCc3ccccc32)c1 42907891 HUPNTWQXKNMIBS-GOSISDBHSA-N 304.397 3.639 0 40 DHAB Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)s1 45873652 ZRHKYNXEYHTYNG-UHFFFAOYSA-N 315.316 3.885 0 40 DHAB CCOc1cccc(CNC(=O)c2ccc(F)cc2Cl)c1 48376320 DEYNOSLMFKWCAU-UHFFFAOYSA-N 307.752 3.808 0 40 DHAB CCCCCC(=O)NCc1cccc(NC(=O)N2CCCC2)c1 54348049 YZHRYXKYGRSZCO-UHFFFAOYSA-N 317.433 3.511 0 40 DHAB Cc1nn(C)c(Oc2ccccc2)c1CNCc1ccoc1C 58428087 MKIURQBPNNYHOS-UHFFFAOYSA-N 311.385 3.712 0 40 DHAB COc1ccccc1SCC(=O)N[C@@H](C)c1ccccc1 60133472 ASXGPNRLPUXXDC-ZDUSSCGKSA-N 301.411 3.665 0 40 DHAB CC(C)(C)OCc1cccc(CNC(=O)CC[C@H]2CCCO2)c1 65626241 UYNBORVXMYMDKY-QGZVFWFLSA-N 319.445 3.577 0 40 DHAB COc1ccc(N(C(=O)c2ccc(C)nc2)C(C)C)cc1F 69622149 YHXAQJCSJGCXOT-UHFFFAOYSA-N 302.349 3.593 0 40 DHAB Fc1ccccc1-c1nnc(C2(c3ccccc3)CCOCC2)o1 71889564 ZTJGMGCWMQVSTK-UHFFFAOYSA-N 324.355 3.972 0 40 DHAB O=C(c1ccc(F)cc1)c1ccc(CN2CCSCC2)cc1 85651257 QRCZOVYTCAFKQO-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB CCCCCC[C@H](CC)C(=O)N1CC(=O)Nc2c(C)ccnc21 95457324 QPEPXYGZEBFOIS-AWEZNQCLSA-N 317.433 3.672 0 40 DHAB COc1cc(OC)cc(C(=O)c2cc(Cl)ccc2OC)c1 95916303 GRXHKNXTZCEIHE-UHFFFAOYSA-N 306.745 3.597 0 40 DHAB CCOCCC1(C(=O)N[C@@H](C)c2nc(C)cs2)CCCC1 96476093 RTQDHBNQAUDLAJ-ZDUSSCGKSA-N 310.463 3.616 0 40 DHAB CC[C@@H](c1ccccc1)c1nnc(NCc2cscn2)o1 97045532 QRTQCQILUDSYGD-ZDUSSCGKSA-N 300.387 3.680 0 40 DHAB Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccncc2F)s1 97135606 MTGAXPFMXZIUCO-SECBINFHSA-N 308.382 3.519 0 40 DHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cc(C)ccc3C)C(=O)[C@H]12 101838907 HWKMTFPOJYQIGK-USJZOSNVSA-N 307.393 3.561 0 40 DHAB CCn1cc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cn1 102598111 GGRPUDBZNPXHSQ-NBLCHNQSSA-N 315.461 3.516 0 40 DHAB CC(C)[C@@]12CC[C@](C)(O1)[C@@H](Oc1cccc(Cl)c1CN)C2 106349839 XDWGFIVVEJQCFN-ULQDDVLXSA-N 309.837 3.914 0 40 DHAB Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc2c1CCC2 106716059 RBNOGBIIBUOKLC-UHFFFAOYSA-N 317.392 3.922 0 40 DHAB CC(=O)Nc1cccc(NC(=O)c2cc3cccc(C)c3o2)c1 148115900 XYFYZSAKQBPAKL-UHFFFAOYSA-N 308.337 3.952 0 40 DHAB Cc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 211510950 ULDNUWIGDLVOJZ-JYRVWZFOSA-N 301.323 3.947 0 40 DHAB COc1ccc(C(=O)NCc2ccccc2)cc1COC(C)C 224421981 DEGNHSRLBXNRMO-UHFFFAOYSA-N 313.397 3.550 0 40 DHAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(F)cc2)C(=O)O)c1 225054549 IQRRARPLWONFIY-KRWDZBQOSA-N 302.345 3.826 0 40 DHAB CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cn1 225888451 UWLMXMDUZXEQTP-UHFFFAOYSA-N 306.406 3.548 0 40 DHAB Cc1ccc(-c2ccc(OC(=O)c3cccc(C)c3)nn2)cc1 408531551 URQVFLSITNQSCQ-UHFFFAOYSA-N 304.349 3.980 0 40 DHAB C[C@H]1CCN(Cc2ccc3oc(C(=O)O)cc3c2)CC1(C)C 576999454 YVVAIVKPSVMWCG-LBPRGKRZSA-N 301.386 3.999 0 40 DHAB Cc1noc(C)c1C(=O)NC[C@@H](c1ccsc1)c1ccco1 675007993 KPVBKUKYMXQCPJ-ZDUSSCGKSA-N 316.382 3.508 0 40 DHAB O=C(CCc1ccccc1F)NCC1(c2ccsc2)CC1 1888921908 MLUKMGUDQLIMFP-UHFFFAOYSA-N 303.402 3.668 0 40 DHAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 29614 WBQSYLFMRKBNCM-NSHDSACASA-N 322.257 3.947 0 40 DHAB COc1cccc(NC(=O)C(F)(F)Oc2cc(C)cc(C)c2)c1 1393233 FXKILBVOBDYOCT-UHFFFAOYSA-N 321.323 3.922 0 40 DHAB CCCCCCn1cnc2ccc(Br)cc2c1=O 1775324 GVNGWLAZDCHMKW-UHFFFAOYSA-N 309.207 3.739 0 40 DHAB O=C(OCc1c(F)cccc1Cl)c1cccnc1Cl 3314125 PAUPZADMFPLGDX-UHFFFAOYSA-N 300.116 3.885 0 40 DHAB COc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1OC 3334608 URVNLWWLTPGJJR-INIZCTEOSA-N 311.381 3.511 0 40 DHAB C[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 3430360 NESDCFDXACWLEX-AWEZNQCLSA-N 304.397 3.928 0 40 DHAB CC(=O)N1c2ccc(F)cc2[C@H]2OCC[C@@H]2[C@@H]1c1ccco1 4555189 GUESWBIUECWPCJ-JLZZUVOBSA-N 301.317 3.604 0 40 DHAB Cc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1C 4584505 BDICEPTYXGLOPB-UHFFFAOYSA-N 320.421 3.920 0 40 DHAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccccc3F)o2)c1 5169672 NCXXVPCOFYZBPK-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB CCc1cccc(NC(=O)c2ccc(OC)c(OC)c2OC)c1 5465476 QYINXOQICCKCLS-UHFFFAOYSA-N 315.369 3.527 0 40 DHAB Cc1n[nH]c2c1[C@@H](c1cccc(Cl)c1)S[C@H](C)C(=O)N2 6678485 FFGOKLQQCUJGBX-PRHODGIISA-N 307.806 3.535 0 40 DHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1F 7263871 XOBGJOCZSFHDMF-UHFFFAOYSA-N 313.250 3.862 0 40 DHAB CCc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 7420086 LFMNHKUSLRGUDA-AWEZNQCLSA-N 314.404 3.847 0 40 DHAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 7643883 BAVFDOFUNOLSNY-UHFFFAOYSA-N 324.424 3.624 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cccc(N2CCCC2=O)c1 7918793 HAQVIXIKKZFFQP-UHFFFAOYSA-N 322.408 3.937 0 40 DHAB COc1ccc(CC(=O)N[C@@H]2CCCc3ccccc32)cc1F 7920583 PHMRPWCODRBTFX-QGZVFWFLSA-N 313.372 3.571 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(C)cc1 8495588 BRPOKKKSLSDAIO-MRXNPFEDSA-N 301.361 3.608 0 40 DHAB COc1ccccc1CC(=O)NCc1ccc(C(F)(F)F)cc1 9052739 JKTOCPQJMUSBDT-UHFFFAOYSA-N 323.314 3.573 0 40 DHAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc(F)c1 9140215 CDAQMTRCRXNFML-UHFFFAOYSA-N 322.792 3.914 0 40 DHAB COc1ccc(CNC(=O)C2(c3cccs3)CCCC2)cc1 12157598 XDFFGLRZRILFJE-UHFFFAOYSA-N 315.438 3.885 0 40 DHAB Cn1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1 12800382 XYTBRPXEGVXCPF-GFCCVEGCSA-N 317.458 3.885 0 40 DHAB COc1ccc([C@H](C)O)cc1NC(=O)c1ccc(Cl)cc1 12854931 QGOSMAVNSLBIRQ-JTQLQIEISA-N 305.761 3.654 0 40 DHAB CCN(CC)Cn1nc(/C=C/c2ccccc2C)[nH]c1=S 14138153 ZSUKATMOTZHVII-ZHACJKMWSA-N 302.447 3.719 0 40 DHAB Cc1ccc(OCc2nc(C)c(C(=O)NC(C)(C)C)s2)cc1 20428550 SVYJZFXSZNNHOF-UHFFFAOYSA-N 318.442 3.867 0 40 DHAB COc1ccccc1Nc1nc2sc(C(=O)O)cc2s1 22165831 YSKAZJWAEFDVEV-UHFFFAOYSA-N 306.368 3.808 0 40 DHAB COc1ccc(CNC(=O)N(C)[C@H](C)c2cccs2)cc1 25087658 SBPUIACIVLRUOB-GFCCVEGCSA-N 304.415 3.659 0 40 DHAB C[C@H](NC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 25987021 MJBJZEYFTIIZHJ-JTQLQIEISA-N 324.211 3.949 0 40 DHAB CC1CCC(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 32802914 OVKCIQQVEHKXPG-PYNQCMFNSA-N 306.372 3.985 0 40 DHAB CCc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1 36391794 MBBFQOZDLBMCTK-UHFFFAOYSA-N 301.390 3.717 0 40 DHAB O=C1c2ccccc2C(=O)N1CCCSc1ccccc1F 39976034 XXAVFDLVEOVOBL-UHFFFAOYSA-N 315.369 3.604 0 40 DHAB Cc1cc2nnc(SCc3ccc(Cl)s3)n2c(C)n1 41723056 UKTKXQCUOJKNTI-UHFFFAOYSA-N 310.835 3.748 0 40 DHAB CC(C)Oc1ccc([C@H]2SCC(O)=Nc3c2cnn3C)cc1 49544397 NBYDVYIXEQKNBJ-OAHLLOKOSA-N 317.414 3.632 0 40 DHAB O=C(c1ccc2c(c1)CCO2)N1CCCCC[C@@H]1c1ccncc1 49765886 ZJYBOGARLQZESB-GOSISDBHSA-N 322.408 3.774 0 40 DHAB O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)C1CC1 50078854 XTCLIJAPSCLHQW-UHFFFAOYSA-N 320.392 3.628 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccccc2)c1C 57358593 RVPXSGUXELMJHK-CQSZACIVSA-N 312.413 3.537 0 40 DHAB Cc1nccn1-c1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cn1 58245504 INVMOEPXSAXJCH-CXAGYDPISA-N 322.412 3.582 0 40 DHAB CC(C)OCc1ccccc1CNC(=O)N1CCCCCC1 59320871 XNEGCXVVULKHQJ-UHFFFAOYSA-N 304.434 3.697 0 40 DHAB Cc1noc(C(C)C)c1C(=O)Nc1nccn1Cc1ccccc1 60558326 BYFQYYRALKHZNI-UHFFFAOYSA-N 324.384 3.604 0 40 DHAB Cc1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)o2)n1 69560653 ZFLOXPBNHCOYSZ-ZETCQYMHSA-N 322.777 3.935 0 40 DHAB CN(C(=O)CS[C@@H]1CCCc2ccccc21)c1nccs1 69771754 NZJARDOOMRBNRM-CQSZACIVSA-N 318.467 3.917 0 40 DHAB Cc1csc(C2CCN(C(=O)Cc3ccccc3C)CC2)n1 69819033 WENLCOYAVQGTEN-UHFFFAOYSA-N 314.454 3.709 0 40 DHAB O=C(Cc1cn2ccsc2n1)Nc1cccc2ccccc12 70735267 WVKHRVDTNXXGSE-UHFFFAOYSA-N 307.378 3.730 0 40 DHAB COCCn1ccc2c(NC(=O)c3ccc(OC)cc3)cccc21 72401397 LMVDMYMSXFXPIE-UHFFFAOYSA-N 324.380 3.549 0 40 DHAB C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc2c(c1)CCCC2 78967153 BDFIRCYYOZZVFO-CQSZACIVSA-N 308.425 3.515 0 40 DHAB Cn1nc(-c2cccs2)cc1C(=O)Nc1ccc2cc[nH]c2c1 79481498 OQNNSROBNBWSEH-UHFFFAOYSA-N 322.393 3.882 0 40 DHAB Cc1cc(C)n(C[C@@H](C)NC(=O)N(C)CCC2CCCCC2)n1 84102259 BYOYDDMLMRCFSG-OAHLLOKOSA-N 320.481 3.500 0 40 DHAB Cc1ccn(Cc2ncc(-c3ccccc3Cl)o2)c(=O)c1 85262578 QSCGAEQRCHWJQG-UHFFFAOYSA-N 300.745 3.513 0 40 DHAB Fc1ccccc1CN(Cc1nccn1C(F)F)C1CCC1 89813916 SKOSDGNKMULBAS-UHFFFAOYSA-N 309.335 3.972 0 40 DHAB CCc1nc(CSCc2nccn2CC(F)(F)F)cs1 95403747 MYIZCDRHCOIUSI-UHFFFAOYSA-N 321.393 3.898 0 40 DHAB COc1ccc([C@@H](C)N[C@H](C)c2cccc(-n3cncn3)c2)cc1 95423555 SVUWTKHIJQWCLK-HUUCEWRRSA-N 322.412 3.688 0 40 DHAB C[C@H](Cc1ccccc1)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 95425043 YKGMDZKNLIYNCX-BRADTZPFSA-N 309.365 3.602 0 40 DHAB CC(=O)c1c(F)cccc1N1CCC(Cc2cccnc2)CC1 95458002 RIVAGDFGRHNSSE-UHFFFAOYSA-N 312.388 3.882 0 40 DHAB Cc1cc(OCCC2OCCCO2)cc(C)c1Br 95734229 ZPBAYVGFGPMIGX-UHFFFAOYSA-N 315.207 3.598 0 40 DHAB C[C@H](CSC(C)(C)C)Nc1cccc(-c2nncn2C)c1 95990909 PWJCIPJTAVNPNP-GFCCVEGCSA-N 304.463 3.814 0 40 DHAB C[C@@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)c2ccccc2N1 96423998 SXPLEZZMEPWGKL-GDBMZVCRSA-N 322.408 3.790 0 40 DHAB Cc1ccc(C)c(OCC(=O)NC(C)(C)Cc2ccccc2)c1 96761815 GJTFTWPADALOAV-UHFFFAOYSA-N 311.425 3.820 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccccc1 100753011 VGVPAIMZXLCLBI-FPAYPSAMSA-N 319.404 3.869 0 40 DHAB C[C@H]1C[C@@H](C)CN(CC(=O)N[C@H](C)c2cc3ccccc3o2)C1 105765300 GOERPSNRBVKGSI-QLFBSQMISA-N 314.429 3.588 0 40 DHAB COc1ccc2nc(Br)sc2c1Br 144862128 WYUQLNLPLCMXBA-UHFFFAOYSA-N 323.009 3.830 0 40 DHAB Cc1ccc2[nH]c(C(=O)NCCC[C@H]3CCCCO3)cc2c1C 183464415 CCUZNOJLQQVODX-OAHLLOKOSA-N 314.429 3.864 0 40 DHAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)cc1 214474251 BAIBYABKHMBJMZ-MHWRWJLKSA-N 324.405 3.935 0 40 DHAB O=C(COc1ccc(F)cc1)NCc1cccc2ccccc12 222891288 XHQJAJNBUJZUKO-UHFFFAOYSA-N 309.340 3.674 0 40 DHAB COc1ccccc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225097592 YTJKRLWODCGAQI-LJQANCHMSA-N 322.360 3.923 0 40 DHAB CCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1C 225126947 QIIDJERJEZKURL-UHFFFAOYSA-N 301.361 3.505 0 40 DHAB CCN1CCC2(CC1)CC(=O)c1cc(C(C)(C)C)ccc1O2 225818357 FPJLEKTUXPDYCW-UHFFFAOYSA-N 301.430 3.804 0 40 DHAB Cc1c(C(=O)N2CCC[C@@H](c3cnccn3)C2)oc2ccccc12 257212240 CCMKAHPZTVJEIL-CQSZACIVSA-N 321.380 3.551 0 40 DHAB Cc1cn(C)c([C@@H]2CCN(Cc3ccc(Cl)cc3F)C2)n1 257232653 GLVWGNHKYJGHKU-CYBMUJFWSA-N 307.800 3.511 0 40 DHAB O[C@H]1c2ccccc2OC[C@@H]1NCc1cccc(CC2CCC2)c1 1560490597 BQHRBQZMIDXUOD-FPOVZHCZSA-N 323.436 3.613 0 40 DHAB CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1C(F)(F)F 57701 PZKIFXHTZWWOMO-UHFFFAOYSA-N 318.682 3.721 0 40 DHAB CCN(CC)CCNc1ncnc2sc3c(c12)CC[C@@H](C)C3 84804 HFECVZFVUCMTIY-GFCCVEGCSA-N 318.490 3.570 0 40 DHAB CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 431171 HNTKCFBJYMCWKU-LFIBNONCSA-N 311.312 3.569 0 40 DHAB COc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1OC 496465 LVSCUTFSANVIHQ-UHFFFAOYSA-N 309.724 3.749 0 40 DHAB CC(OC[C@H]1CC1(Cl)Cl)OC[C@H]1CC1(Cl)Cl 501352 QIVGZPUEXCALGR-HTQZYQBOSA-N 308.032 3.753 0 40 DHAB Sc1nnc(-c2ccc3ccccc3n2)n1Cc1ccccc1 536857 WKKGAWDDMRVQJC-UHFFFAOYSA-N 318.405 3.830 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N(C)C)cc1 579763 QWIBACSREIXWLS-LBPRGKRZSA-N 318.804 3.812 0 40 DHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCC(C)CC1 2694416 ZGDNITHMLAZCBL-DLBZAZTESA-N 305.462 3.672 0 40 DHAB Cc1csc(SCC(=O)N[C@H]2CCCc3ccccc32)n1 3313495 OFIVLYPAKMQCTE-AWEZNQCLSA-N 318.467 3.737 0 40 DHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)O)cc12 3321828 ZSGWVFWZMFVAGE-UHFFFAOYSA-N 306.774 3.806 0 40 DHAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1 4225260 OJGQXNFCYNDNNC-OAHLLOKOSA-N 319.408 3.711 0 40 DHAB COC(=O)c1ccsc1NC(=O)c1ccc2ccccc2c1 4281389 SEAOMIXIYSLTBC-UHFFFAOYSA-N 311.362 3.940 0 40 DHAB Cc1nc(-c2ccccc2)sc1CCNC(=O)CC(C)C 4392437 SBUOOPOGBIEMTR-UHFFFAOYSA-N 302.443 3.823 0 40 DHAB Cc1cc2oc(=O)cc(CSc3nncs3)c2cc1C 5101175 NQQYWKBVHXVGMP-UHFFFAOYSA-N 304.396 3.554 0 40 DHAB CCn1c(SC)nc2scc(-c3cccs3)c2c1=O 5583396 NXUWAERZFLFUTQ-UHFFFAOYSA-N 308.453 3.928 0 40 DHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccco1 5857277 RYGGDEWGNNOERJ-OLZOCXBDSA-N 315.369 3.977 0 40 DHAB Cc1ccc2c(c1)N=C1[C@H](CC(=O)N1Cc1ccccc1)S2 6216453 YFHITIMSAWDOTL-INIZCTEOSA-N 308.406 3.932 0 40 DHAB CCOc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1 6400691 LGWIFYIJLHCGTE-WJDWOHSUSA-N 311.312 3.569 0 40 DHAB CCCCN1C(=O)S[C@@H](Cc2ccc(SC)cc2)C1=O 6647649 OMHVBPLSYRWPGG-ZDUSSCGKSA-N 309.456 3.815 0 40 DHAB CCCN1CCN(C(=O)c2oc3c(Cl)cccc3c2C)CC1 8314868 COEXHAOWKMOWIK-UHFFFAOYSA-N 320.820 3.562 0 40 DHAB Cc1cc(-c2ccc(Cl)cc2)nc2nc(C(F)(F)F)nn12 8391759 XASAFSWKUYBNEN-UHFFFAOYSA-N 312.682 3.772 0 40 DHAB CCOc1cccc(C(=O)Nc2cc(-c3ccccc3)no2)c1 8916500 DLCBPLHJBUCPPZ-UHFFFAOYSA-N 308.337 3.993 0 40 DHAB CCc1ccc(N[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 9322177 NFNQUNCRYQEBDB-OAHLLOKOSA-N 308.425 3.634 0 40 DHAB Clc1ccccc1OCCSC1=N[C@H]2CCCC[C@@H]2N1 9691497 LKQMLYXTQLNVRS-STQMWFEESA-N 310.850 3.722 0 40 DHAB CCc1ccc(-c2n[nH]c(SCc3cc(C)on3)n2)cc1 9762644 KKPAXXUYKUDLOA-UHFFFAOYSA-N 300.387 3.623 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c4c(cccc24)CC3)on1 11037730 HWVNWEJJKFGVEV-GFCCVEGCSA-N 321.380 3.674 0 40 DHAB O=C(CN1CCC(CCc2ccccc2)CC1)Nc1ccccc1 11154983 ILYKZTIPQMFBKX-UHFFFAOYSA-N 322.452 3.970 0 40 DHAB Cc1ccccc1N[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O 12112960 WAPNZKAJVWILOU-CQSZACIVSA-N 316.357 3.772 0 40 DHAB Cc1ccc(-c2noc(COC(=O)c3ccc(F)cc3)n2)cc1 15275778 SYZKEIKXIZHEQC-UHFFFAOYSA-N 312.300 3.541 0 40 DHAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(C(=O)O)c1 18192257 DQPUREQCIRMCNZ-UHFFFAOYSA-N 322.364 3.828 0 40 DHAB Cc1nnc([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)s1 23140552 NYWDCQXOTYECIG-NSHDSACASA-N 321.833 3.520 0 40 DHAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(C)cc2)c1 25287457 OMGAEXLJADINKF-UHFFFAOYSA-N 306.369 3.526 0 40 DHAB c1ccc(-c2csc3ncnc(NCCn4ccnc4)c23)cc1 25347326 WRKWJRUJLWLHKJ-UHFFFAOYSA-N 321.409 3.667 0 40 DHAB Cc1cccc(C(=O)N(Cc2c(C)noc2C)c2ccccc2)n1 25586120 XYOKNIGVGHMMLZ-UHFFFAOYSA-N 321.380 3.842 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 27385892 YKDSAYREGPCZEG-CQSZACIVSA-N 324.355 3.987 0 40 DHAB O=C(COc1ccccc1)N(Cc1cccs1)c1ccccn1 27663230 LRWKANXAHGWZGT-UHFFFAOYSA-N 324.405 3.755 0 40 DHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC1=CCCCC1 30861396 BXDVZJYFFDMJFA-SFHVURJKSA-N 317.429 3.859 0 40 DHAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(O)cc1 32102178 UOXFSNFFTZFAAO-UHFFFAOYSA-N 300.745 3.639 0 40 DHAB Cc1ccc(C(=O)c2ccccc2I)cc1 34550117 VPUXPIALMJUMLZ-UHFFFAOYSA-N 322.145 3.831 0 40 DHAB CCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2)c1 40526951 VGYRQQIKSREOAM-UHFFFAOYSA-N 311.385 3.699 0 40 DHAB COc1ccc(CCCNC(=O)CCc2ccc(C)cc2)cc1 40665356 KSMPJVFCCXHFNO-UHFFFAOYSA-N 311.425 3.685 0 40 DHAB CCOC(=O)c1nc(-c2ccccc2Br)cs1 42407109 SLXFMMOYYUZOAC-UHFFFAOYSA-N 312.188 3.749 0 40 DHAB O=C1COc2ccc(Cl)cc2CN1c1cc(F)ccc1F 65184562 ATLJFFCTPWWQSU-UHFFFAOYSA-N 309.699 3.544 0 40 DHAB Cc1c([C@H](C)Nc2cc(-n3ccnc3)ncn2)oc2ccccc12 77191997 FSYJLJAZENQHTI-ZDUSSCGKSA-N 319.368 3.890 0 40 DHAB COc1ccc(OC)c2c(Nc3ccccc3C(=O)O)ccnc12 78401528 DJYWZLWCVSLUCA-UHFFFAOYSA-N 324.336 3.694 0 40 DHAB O=C(NCc1ccco1)c1ccc2[nH]c3c(c2c1)CCCCC3 94993194 LMRISDUWGDMSLF-UHFFFAOYSA-N 308.381 3.960 0 40 DHAB O=C(NCc1ccncc1)c1cc2c(Cl)cccc2s1 94993201 QRWXUKSEJCKHHB-UHFFFAOYSA-N 302.786 3.880 0 40 DHAB C[C@@H](Cc1ccsc1)NCCc1cc(F)cc2c1OCOC2 95421847 OJIAIZNLXJXFOR-LBPRGKRZSA-N 321.417 3.517 0 40 DHAB CC(C)c1nc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cs1 95437457 IPPWJIGSPWLOAK-KFWWJZLASA-N 306.475 3.704 0 40 DHAB O=C(Nc1cccc(F)c1)c1ccn(-c2ccc3ccccn23)n1 96038024 XQXIXGCLZWSZHR-UHFFFAOYSA-N 320.327 3.516 0 40 DHAB COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2F)cc1 96125646 KAXHURZYWYUPKL-JTQLQIEISA-N 307.752 3.979 0 40 DHAB Cc1ccsc1CNCc1cccnc1OCC(F)(F)F 97287682 ORSUVMMQWHZJQN-UHFFFAOYSA-N 316.348 3.682 0 40 DHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC[C@H](O)CNC1CCCCC1)C2 101213869 SFEWGPJTCPCSHS-KLICCBINSA-N 309.494 3.501 0 40 DHAB CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1nc2ccccc2[nH]1 103632696 XHUHFRCZWUVSAF-IBTNMTNLSA-N 323.440 3.979 0 40 DHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12 104308213 INHMMEWBTMZXLR-DFEOGRTESA-N 300.398 3.847 0 40 DHAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(F)c(C)c1 206759813 SWSDPZIQAWJSPW-XYPWUTKMSA-N 321.461 3.952 0 40 DHAB Cc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)nc1 225525114 WNGJRCDZNHDOST-UHFFFAOYSA-N 315.442 3.664 0 40 DHAB Nc1nc2c(Cl)cc(NC(=O)c3cccs3)cc2s1 226311135 WBTHWPNMDLDYOH-UHFFFAOYSA-N 309.803 3.846 0 40 DHAB CSc1cccc(C(=O)NCc2ccc(-c3ccoc3)nc2)c1 390832523 ZXMRHDVOVWLHMR-UHFFFAOYSA-N 324.405 3.994 0 40 DHAB CC1(C)C[C@H](N[C@@H]2C[C@H](N)c3ccccc32)c2cc(N)ccc2O1 572234684 YLTXSPLOMRYZES-KSZLIROESA-N 323.440 3.605 0 40 DHAB COC(=O)CCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 575360846 PUCCIEGPQVRQFR-UHFFFAOYSA-N 308.683 3.885 0 40 DHAB CCOC(=O)CCCC(=O)c1ccc(Br)c(F)c1 575362093 BDBKLMYXMKFOFB-UHFFFAOYSA-N 317.154 3.504 0 40 DHAB CN(C)[C@H](CNC(=O)c1ccsc1)c1cc2ccccc2o1 575621582 PSJZTLCZVZIVSL-CQSZACIVSA-N 314.410 3.527 0 40 DHAB CCOc1ccc(CC(=O)NCC2(c3ccsc3)CC2)cc1 1888921680 UZXXDBCKMXYRNO-UHFFFAOYSA-N 315.438 3.537 0 40 DHAB Nc1c(Br)cc2ccccc2c1Br 345657 QXQLGCVWRCXDKS-UHFFFAOYSA-N 300.981 3.947 0 40 DHAB Clc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1 532099 CKCCQHYSCIWDNC-UHFFFAOYSA-N 302.746 3.766 0 40 DHAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1C 998862 CXHHVPPYWXNHFK-UHFFFAOYSA-N 317.698 3.653 0 40 DHAB CCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)nc1 1352784 IFTLRPCSQAAKBO-UHFFFAOYSA-N 317.776 3.726 0 40 DHAB CC(C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778699 QAZJMNJZPOCPLI-ZETCQYMHSA-N 323.746 3.518 0 40 DHAB O=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(F)cc1 3230628 LKCQZAPXCCELSP-AATRIKPKSA-N 321.764 3.840 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C)cs2)c1 3413594 IXZGMCGHPOBUKR-LLVKDONJSA-N 320.439 3.773 0 40 DHAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2)c1 3443534 OYCJQUVRJNGLKX-IBGZPJMESA-N 324.424 3.861 0 40 DHAB COc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1OC 3565474 DEGKXBIPNMMLFW-UHFFFAOYSA-N 317.410 3.896 0 40 DHAB Cc1ccccc1-c1nnc(NC(=O)c2cccc(F)c2)s1 4072279 PXQZWVASYPAZME-UHFFFAOYSA-N 313.357 3.905 0 40 DHAB COc1ccccc1OCCCn1c(=O)sc2ccccc21 4503895 SMUQXFJVORQVPQ-UHFFFAOYSA-N 315.394 3.541 0 40 DHAB O=C(O)c1cc(Nc2nc(-c3ccccc3)cs2)ccc1O 4711772 XEMLPFCMQBBRCG-UHFFFAOYSA-N 312.350 3.958 0 40 DHAB CCc1cccc(C)c1NC(=O)CSc1nc(C)cc(C)n1 4954140 NBNDKMFKGBGIKA-UHFFFAOYSA-N 315.442 3.695 0 40 DHAB CSc1nc(C)c(CCC(=O)Nc2ccc(F)cc2)c(C)n1 5403587 PTPPZJATNCCJCT-UHFFFAOYSA-N 319.405 3.526 0 40 DHAB Cc1ncc([C@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1 5504223 XZNGXZNLEGMKLC-GOSISDBHSA-N 312.800 3.975 0 40 DHAB COCCSc1ncc2c(n1)-c1cc(C)ccc1SC2 5747425 XJTNRNDQMLJSBS-UHFFFAOYSA-N 304.440 3.796 0 40 DHAB c1ccc(NNN2N[C@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 5846770 UEVZHRAFNXLDOE-UXHICEINSA-N 316.408 3.821 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]21 6189549 YCHQYZZUXVHAEQ-DACLVMHWSA-N 307.393 3.561 0 40 DHAB Cc1cccc(CN2C(=O)S/C(=C/c3cccnc3)C2=O)c1 6422302 UWMYKXJBVIBJOY-OQLLNIDSSA-N 310.378 3.627 0 40 DHAB Cc1nc2nc(-c3ccc(Cl)cc3)cc(-c3ccncc3)n2n1 6659176 MKECVAXCWQBMDV-UHFFFAOYSA-N 321.771 3.815 0 40 DHAB CC(C)NC1=NN=C(c2ccc(Cl)cc2Cl)CS1 7849790 ZFPMAHUQBWCDPQ-UHFFFAOYSA-N 302.230 3.798 0 40 DHAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2[nH]cnc2c1 8718783 QTTQWSOHUQXNGB-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccco2)s1 8766828 RQJHXIUERPEMPR-GFCCVEGCSA-N 313.382 3.925 0 40 DHAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 9155788 WJFVPKFXAVQEDH-NSHDSACASA-N 312.394 3.680 0 40 DHAB CCOC(=O)c1oc2ccc(NC(=O)C(C)(C)C)cc2c1C 9659844 KACBKYKSFAJVOV-UHFFFAOYSA-N 303.358 3.903 0 40 DHAB biogenic O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9985869 GYOYQPFYUPADPW-VAWYXSNFSA-N 319.404 3.821 0 40 DHAB Cc1csc(NC(=O)c2ccc(CN3CCCCC3)cc2)n1 10555342 OJAUWEOVOAKQIM-UHFFFAOYSA-N 315.442 3.690 0 40 DHAB CCCCc1nnc2sc(-c3ccccc3OCC)nn12 11278011 KVTSAXAHIGYIIT-UHFFFAOYSA-N 302.403 3.594 0 40 DHAB Cc1nc(NC(=O)c2ncoc2-c2cccs2)sc1C 12338273 NTLZTFAQYLYDOU-UHFFFAOYSA-N 305.384 3.729 0 40 DHAB COc1cc(C)c(NC(=O)CCc2cccs2)cc1OC 12699297 VSBTUQVITCUHCP-UHFFFAOYSA-N 305.399 3.645 0 40 DHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1 13688995 RGNWAZONWULDLY-HNNXBMFYSA-N 305.377 3.924 0 40 DHAB C[C@H]1[C@@H](C)[C@H](OC(=O)c2ccccc2)CCN1Cc1ccco1 15319282 IEDBZMWATZKGIT-RVKKMQEKSA-N 313.397 3.736 0 40 DHAB Cc1n[nH]c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 18266265 NELACKPYIURSBY-MRXNPFEDSA-N 309.394 3.829 0 40 DHAB CCCCNc1nc(Nc2ccc(C)c(C)c2)c2cnn(C)c2n1 21873383 OXBNGYNWTLKFOE-UHFFFAOYSA-N 324.432 3.936 0 40 DHAB Cc1ccc(-c2noc(COC(=O)c3cccc(C)c3)n2)cc1 25112657 QKYMMFDEOSRESD-UHFFFAOYSA-N 308.337 3.710 0 40 DHAB COc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 25312007 XYZMJGMIIUVGER-KBPBESRZSA-N 303.308 3.716 0 40 DHAB Cc1cnc(NC(=O)c2cccnc2Oc2ccccc2)s1 25404804 ZNWZYKMCGYOZCR-UHFFFAOYSA-N 311.366 3.891 0 40 DHAB O=C(NC1CCCC1)c1ccc(COc2ccc(F)cc2)o1 27980037 KQFTZNOSTWREOG-UHFFFAOYSA-N 303.333 3.670 0 40 DHAB CN(CC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCc2ccccc21 29484390 FXYSTVQFVLHHQH-FQEVSTJZSA-N 320.436 3.733 0 40 DHAB Cc1c(C(=O)NCCCN(C)c2ccccc2)oc2ccccc12 30014824 WIHFPEXKEFPSLX-UHFFFAOYSA-N 322.408 3.998 0 40 DHAB Nc1nc2c(s1)[C@H](c1ccc(Br)cc1)CC(O)=N2 32091763 BTZSFOYQUMDZBQ-QMMMGPOBSA-N 324.203 3.611 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1cccc(NC(=O)C2CC2)c1 32764833 WDAFPBRHMCXILA-FMIVXFBMSA-N 306.365 3.687 0 40 DHAB O=C(Cc1ccc(-n2cccc2)cc1)NCCc1ccccc1F 36391575 XBLWYCRGUZNSFD-UHFFFAOYSA-N 322.383 3.518 0 40 DHAB COc1cccc2sc(NC(=O)NCc3cccs3)nc12 36709300 HTABLJBBXONLOZ-UHFFFAOYSA-N 319.411 3.688 0 40 DHAB CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 40442642 LUFMOZOQECBNQC-UHFFFAOYSA-N 301.390 3.677 0 40 DHAB CC(C)c1noc([C@H]2CCCCN2C(=O)NC2CCCCC2)n1 41122816 ORMAMPGYNIQDHV-CQSZACIVSA-N 320.437 3.762 0 40 DHAB C[C@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1cccs1 44086975 XGZAFFCHCPVGCT-JTQLQIEISA-N 314.370 3.681 0 40 DHAB CC[C@@H](NC(=O)c1c(OC)cccc1OC)c1ccc(C)cc1 44839865 ZXASDFRCHRWGIV-OAHLLOKOSA-N 313.397 3.893 0 40 DHAB Cc1ccc(NC(=O)/C=C/c2ccco2)cc1N1CCCCC1=O 49505668 IMTTWRQWLMCANP-MDZDMXLPSA-N 324.380 3.757 0 40 DHAB CC(C)c1cc(C(=O)N(C)Cc2cccc3ccccc23)n[nH]1 52486450 DTTVKSNSASILGG-UHFFFAOYSA-N 307.397 3.959 0 40 DHAB O=C(NCc1ccccc1-n1ccnc1)c1cc2ccccc2o1 55696686 IPCASHYLCAUAEY-UHFFFAOYSA-N 317.348 3.549 0 40 DHAB CC(C)(C)c1noc(C[S@@](=O)[C@@H]2CCCc3ccccc32)n1 58379981 BNGHZQJEYUFAJC-PEBXRYMYSA-N 318.442 3.693 0 40 DHAB C[C@@H](c1cccc(F)c1)N1CCC(c2nnc3ccccn23)CC1 69324583 KYIQRMMOZPZMET-AWEZNQCLSA-N 324.403 3.809 0 40 DHAB Cc1nc2cc(C(=O)N(C3CC3)[C@@H](C)c3ccco3)ccc2n1C 69442020 LFEBKQOERIQJPM-LBPRGKRZSA-N 323.396 3.841 0 40 DHAB Cc1c(C(=O)NCCc2cscn2)oc2ccc(Cl)cc12 69708559 JYXNYTWAFBHZAJ-UHFFFAOYSA-N 320.801 3.824 0 40 DHAB Cc1ncc(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)s1 69776438 DHMQWLBXUAJBEQ-LSDHHAIUSA-N 320.845 3.867 0 40 DHAB Cc1noc(C(F)(F)F)c1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 72308016 LVXGETDQQKLZTD-OYNCUSHFSA-N 304.312 3.556 0 40 DHAB C[C@@H](NCc1cccn1C)c1noc(-c2ccc(Cl)cc2)n1 80342441 HQOWGNYBTYBXES-LLVKDONJSA-N 316.792 3.579 0 40 DHAB Cc1cc(C(=O)N[C@H]2CCCc3occc32)c2ccccc2n1 84083341 CAOUIGNRQWMVKC-KRWDZBQOSA-N 306.365 3.944 0 40 DHAB CCOCc1cccc(NCc2ccc(-n3cncn3)c(C)c2)c1 89988676 TZDFAVDETLYAMX-UHFFFAOYSA-N 322.412 3.724 0 40 DHAB CCC[C@H](NC(=O)N[C@@H](CC)c1ccncc1)c1ccccn1 95404581 BIBHSNXTPFTGOQ-RDJZCZTQSA-N 312.417 3.768 0 40 DHAB Cc1ccc([C@H](C)NC(=O)Nc2cc3c(cc2C)OCO3)o1 96004911 CKWHJDHZSGPYDG-NSHDSACASA-N 302.330 3.508 0 40 DHAB COc1cc(-c2coc3ccc(O)cc23)cc(OC)c1OC 96116528 KEYLPGHZLCHEHW-UHFFFAOYSA-N 300.310 3.831 0 40 DHAB biogenic O=C(c1ccco1)c1ccc(CNC(=O)[C@@H]2CC=CCC2)s1 96119806 ATCCXLRMPZLGQM-GFCCVEGCSA-N 315.394 3.545 0 40 DHAB Cc1ncc([C@@H](C)Nc2cccc(NC(=O)C(C)C)c2)c(C)n1 97037213 GRRABFBGDRZAMV-CYBMUJFWSA-N 312.417 3.861 0 40 DHAB CCc1ccccc1N[C@H]1CC(=O)N(c2cccc(C)c2C)C1=O 101275288 KAXVRDKWJYWCES-KRWDZBQOSA-N 322.408 3.610 0 40 DHAB C[C@H](NC(=O)COc1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 103075270 ONTIKEHAUCIUQA-VPWBDBDCSA-N 307.821 3.660 0 40 DHAB C[C@@H]1C2=C([C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]13)[C@@H]1CC[C@@H]2C1 104295451 BVKOIAAHCMACRW-LBOLVVFGSA-N 321.420 3.805 0 40 DHAB Cc1nc2ccc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2nc1C 104819798 IUTJHJBPCCEXOB-WBTNSWJXSA-N 323.440 3.801 0 40 DHAB CCc1cccc(N(C(=O)c2cnccn2)[C@H]2C[C@H]3CC[C@H]2C3)c1 106918776 JQGJHMJAGGNMOU-BXWFABGCSA-N 321.424 3.874 0 40 DHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2C(=O)O 118930918 PMVFYJLNDAMKPJ-NIDXHAAISA-N 316.441 3.931 0 40 DHAB CCCOC(=O)OCCC(F)(F)C(F)(F)Br 169795828 WVPQYVMXRHQEJC-UHFFFAOYSA-N 311.069 3.563 0 40 DHAB CCCCCNC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 181824179 NXADVHNVGOMZNL-UHFFFAOYSA-N 320.820 3.595 0 40 DHAB CC(=O)c1cccc(NC(=O)COc2cccc3c2CCCC3)c1 224792955 RTFBPZODAORFQU-UHFFFAOYSA-N 323.392 3.786 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(F)cc1 225635029 JTZZXCDDLUBYJD-CYBMUJFWSA-N 318.417 3.888 0 40 DHAB CCCO[C@@](C)(CCC)C(=O)Nc1cnc(OCC)c(C)c1 225905923 NFOKJOXOVOOLOD-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB COc1ccc2[nH]cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2c1 248243595 IJRAKYPXVXMMGT-ABHRYQDASA-N 312.413 3.731 0 40 DHAB Cc1cc(C)nc([C@]2(C)CCCN2C(=O)CCc2ccccc2)n1 257286137 PKLKOMLACUCPPE-FQEVSTJZSA-N 323.440 3.564 0 40 DHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1CCc1ccncc1 257294831 QVXMGUHIQBABOO-QGZVFWFLSA-N 319.408 3.800 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccn3)C2)s1 257315339 VAWJDLGHDRJHHP-CQSZACIVSA-N 300.427 3.546 0 40 DHAB Cc1ccccc1[C@H]1CN(C(=O)C2CC(C)(C)C2)[C@@H](C)CO1 552255933 ZVGLVXULIJDBKX-WMLDXEAASA-N 301.430 3.720 0 40 DHAB CC1(C)CCN(C(=O)[C@H](O)c2ccccc2)C[C@H]1c1ccccc1 1598149272 VNLCENUDHGDBPP-RBUKOAKNSA-N 323.436 3.762 0 40 DHAB COc1ccccc1-c1nnn(-c2ccccc2)c1-n1cccc1 1889205649 XUSKJXWWUBKIOG-UHFFFAOYSA-N 316.364 3.734 0 40 DHAB CC(C)OC(=O)NC1CC2(CCN(Cc3ccccc3)CC2)C1 2056226577 VHWJOTFIDWHOPC-UHFFFAOYSA-N 316.445 3.566 0 40 DHAB O=C1CCCc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c21 106100 ZKGCRBFARQBFSH-UHFFFAOYSA-N 304.349 3.764 0 40 DHAB CC[C@H]1CCc2c(sc(NC(=O)C(C)C)c2C(=O)OC)C1 483875 CTEKUGNUZOWVBY-JTQLQIEISA-N 309.431 3.644 0 40 DHAB CC(C)Cn1nc(NC(=O)C(C)C)c2cc3ccccc3nc21 532025 VKNAIQUYGHPLNV-UHFFFAOYSA-N 310.401 3.835 0 40 DHAB Cc1cccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)c1 1292399 DLWVUHOTJCWYOQ-UHFFFAOYSA-N 307.349 3.502 0 40 DHAB CC(C)[C@@H](CCNC(=O)[C@@H]1CCOC(C)(C)C1)c1ccco1 2150725 VLSUZWJTONYQIG-HUUCEWRRSA-N 307.434 3.731 0 40 DHAB biogenic Cc1ccccc1Cn1cc(NC(=O)c2ccccc2C)cn1 2761451 RQUDGGIVZQDVJF-UHFFFAOYSA-N 305.381 3.801 0 40 DHAB CCCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1 3128562 TVLUJNMOJVREQD-UHFFFAOYSA-N 317.392 3.950 0 40 DHAB Cn1c(NCc2cc(-c3ccccc3)n[nH]2)nc2ccccc21 4741732 PLRXNKHHXOVADZ-UHFFFAOYSA-N 303.369 3.576 0 40 DHAB O=S(=O)(Nc1ccccc1)c1ccc2cccc3c2c1CC3 5234727 URXIPYYHYZKUOU-UHFFFAOYSA-N 309.390 3.739 0 40 DHAB Cc1cc(NC(=S)NCC(C)C)ccc1Br 6963671 IARJSYYFDVIMBD-UHFFFAOYSA-N 301.253 3.700 0 40 DHAB C[C@H](NC(=O)c1cc2c(F)cccc2s1)c1ccncc1 7184886 FFQJIEORSBFJIG-JTQLQIEISA-N 300.358 3.926 0 40 DHAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(Cl)c2)o1 7975941 ZDIMOWAHYHUMJT-GFCCVEGCSA-N 306.793 3.700 0 40 DHAB CCc1n[nH]c(=S)n1NCc1cccc(Cl)c1Cl 8339368 YEXCYHICJNGPTM-UHFFFAOYSA-N 303.218 3.554 0 40 DHAB CC[C@@H]1CCCCN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 9061985 ZCCOVUHUMFIJAN-MRXNPFEDSA-N 309.475 3.873 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccccc1OC[C@H]1CCCO1 9114615 FKPWLOFFYKTHAH-OAHLLOKOSA-N 315.344 3.636 0 40 DHAB Fc1ccc(-n2ncc3c(Oc4ccccc4)ncnc32)cc1 9377714 YCYJXHDGZXBMSM-UHFFFAOYSA-N 306.300 3.747 0 40 DHAB CCOC(=O)c1oc2ccc(NC(=O)c3cccnc3)cc2c1C 9659847 ZGZREWWIMVSVKY-UHFFFAOYSA-N 324.336 3.565 0 40 DHAB biogenic COc1ccc2cc(CNc3cc(C)cc(C)c3)c(=O)[nH]c2c1 12493318 MLDHAPZPSRSXJU-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB CSc1ccc(CN(C)C(=O)c2cccnc2SC)cc1 12820148 KLKBQTXZUBUTEU-UHFFFAOYSA-N 318.467 3.798 0 40 DHAB Cc1cc(NC(=O)NC2CCCCC2)ccc1N1CCCC1=O 12846146 YVWPFEFPSCKQQV-UHFFFAOYSA-N 315.417 3.576 0 40 DHAB COc1ccc(CNC(=O)CSCc2cccc(C)c2)cc1 15013743 YLKFQCZXPGTYDF-UHFFFAOYSA-N 315.438 3.553 0 40 DHAB COc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 15028434 USMZHYIGIRFLCC-LBPRGKRZSA-N 317.410 3.823 0 40 DHAB CCSc1nnc(NC(=O)c2ccc(Cl)cc2F)s1 15582456 UPUUEZTWZABUTL-UHFFFAOYSA-N 317.798 3.695 0 40 DHAB CC1(C)Cc2c(sc3nc(-c4cccs4)[nH]c(=O)c23)CO1 17250542 VZQUKCHEKHWBLL-UHFFFAOYSA-N 318.423 3.564 0 40 DHAB CN1C(=O)CCCC[C@H]2N(Cc3ccccc3Cl)CC[C@]21C 19713755 MPTKDMXRPPCRBT-SJLPKXTDSA-N 320.864 3.705 0 40 DHAB CC(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 21596344 IYCPHIDCOQUFBC-UHFFFAOYSA-N 324.755 3.828 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2F)cc1 21596419 YTWGAJGRHHGGHR-UHFFFAOYSA-N 320.364 3.654 0 40 DHAB O=C1CCCN1c1cccc(Nc2ncnc3ccccc23)c1 26710596 OIOMLGAJAQTUBR-UHFFFAOYSA-N 304.353 3.500 0 40 DHAB CCOCc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 29282488 OWLJHWVDPSUJEB-UHFFFAOYSA-N 321.779 3.946 0 40 DHAB O=C(c1csc2ccccc12)N1CCn2c1nc1ccccc12 30661753 UNFZAEUQOFLWKH-UHFFFAOYSA-N 319.389 3.911 0 40 DHAB C[C@H](OCc1ccccc1)C(=O)Nc1cccc2cccnc12 30680081 GXGHXCNPPXMESD-AWEZNQCLSA-N 306.365 3.779 0 40 DHAB C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccccc1 32931208 FYEHKMMURIQVFX-GFCCVEGCSA-N 320.795 3.734 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 42182045 KBQURRTUMBMMGY-UHFFFAOYSA-N 323.396 3.527 0 40 DHAB O=C(Nc1cccc2cnccc12)N(Cc1ccccn1)C1CC1 43168411 FYFPMOFLICNWOE-UHFFFAOYSA-N 318.380 3.826 0 40 DHAB CC(=O)Nc1ccc(Sc2nccc(C(F)(F)F)n2)cc1 43532478 ZPQGILFIHWSBTK-UHFFFAOYSA-N 313.304 3.605 0 40 DHAB O=C(CCCc1cccs1)Nc1cccnc1N1CCCC1 47225754 GPMMFNFQFRUOLL-UHFFFAOYSA-N 315.442 3.705 0 40 DHAB COC(=O)N(C)c1ccc(NC(=O)c2ccc(C)s2)cc1 56448354 OHLQIBRQSIGONM-UHFFFAOYSA-N 304.371 3.511 0 40 DHAB COc1ccc2oc(=O)c(-c3nc(-c4ccccc4)no3)cc2c1 57354717 HLYCFOMRLWRDQM-UHFFFAOYSA-N 320.304 3.519 0 40 DHAB CCOCCOC(=O)c1cc(-c2ccco2)nc2ccccc12 57465094 RRNAGFNQHRRWEM-UHFFFAOYSA-N 311.337 3.688 0 40 DHAB Cc1cc(C)c(NC(=O)CSCc2cccs2)c(C)n1 58171031 BYFRICRSVJIGTG-UHFFFAOYSA-N 306.456 3.940 0 40 DHAB O=C(C1CCOCC1)N1CCC(c2cccc3ccccc23)CC1 58725446 LMQZKQBLVSIAPY-UHFFFAOYSA-N 323.436 3.972 0 40 DHAB CCn1ccc2cc(NC(=O)Cc3cn4ccsc4n3)ccc21 65493279 VOQKLAWOAGNDHQ-UHFFFAOYSA-N 324.409 3.552 0 40 DHAB O=C(NCc1ccccn1)N1CCC[C@@H](c2ccccc2)CC1 67358895 XLACBRLMSIGJGJ-QGZVFWFLSA-N 309.413 3.561 0 40 DHAB Cc1ccc(C(=O)Nc2c(C)cc(-n3cnnc3)cc2C)cc1C 72228905 QUUVHSJOBVXKDO-UHFFFAOYSA-N 320.396 3.753 0 40 DHAB O=C(Cc1ccccc1)Nc1cnc(Oc2ccccc2F)nc1 75172127 IQNNQFQOBXFIFY-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cl)cc1 78578902 ZLTJMCMUYNXFLZ-CYBMUJFWSA-N 303.789 3.846 0 40 DHAB Cc1cccc2ncnc(N(C)[C@@H](C)Cc3ccc(O)cc3)c12 79099066 ILZZCQNJCMKJPV-AWEZNQCLSA-N 307.397 3.711 0 40 DHAB Cc1nnc([C@H](C)N(C)Cc2cc(Cl)cc(Cl)c2)o1 79881423 KZLZAJMFQWXMCP-QMMMGPOBSA-N 300.189 3.878 0 40 DHAB C[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1 84647778 HFGYAZRIBYBFQD-DGCLKSJQSA-N 307.800 3.904 0 40 DHAB COc1cc(C(=O)c2ccc(Br)cc2)ccc1F 89064323 QJEITXMPXZSQTL-UHFFFAOYSA-N 309.134 3.828 0 40 DHAB CC(C)c1ncc(C(=O)N(CC2CC2)CC(F)(F)F)s1 89893761 XGFNVIZDTQTEMS-UHFFFAOYSA-N 306.353 3.681 0 40 DHAB CCN(CC)C(=O)Oc1cccc(Br)c1Cl 90449541 TXCYZQICMLGPGB-UHFFFAOYSA-N 306.587 3.943 0 40 DHAB CC(=O)Nc1cccc([C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)c1 90845076 QMCFYAZVLOMJEV-KSMMKXTCSA-N 324.424 3.860 0 40 DHAB COc1ccc([C@@H](C)[C@@H](C)NCCc2csc(C)n2)cc1 95419969 IDQRGRWYHBZGDT-QWHCGFSZSA-N 304.459 3.784 0 40 DHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC1CC=CC1 95440335 GRXXBGSGDNCQIQ-LBPRGKRZSA-N 307.463 3.996 0 40 DHAB O=C(CCc1ccccn1)NC1(Cc2ccccc2)CCCC1 96013973 VYFZKRBOEHRFRZ-UHFFFAOYSA-N 308.425 3.686 0 40 DHAB O=C(CNc1ccc2c3c(cccc13)CC2)N1CCCCCC1 96993196 HXAQWIZGGRJKIG-UHFFFAOYSA-N 308.425 3.753 0 40 DHAB COc1cccc(O[C@@H](Cc2cc(Cl)ccc2C)C(=O)O)c1 225077632 NTAFYURTIRYXNQ-INIZCTEOSA-N 320.772 3.732 0 40 DHAB COc1ccccc1C[C@@H](Oc1ccccc1C(C)C)C(=O)O 225097072 KRJXFLOKVJCZIK-GOSISDBHSA-N 314.381 3.893 0 40 DHAB Cc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)c(C)c1 225418564 OIDZQQLOFZWUKS-UHFFFAOYSA-N 309.413 3.865 0 40 DHAB CC(C)C[C@@H](NC(=O)Nc1ccccc1)c1nnc2ccccn12 575443945 BDZOXMJAOFZJCP-OAHLLOKOSA-N 323.400 3.638 0 40 DHAB CN(C1CCCCC1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585289907 XDQUBWVDKCHBGY-IPMKNSEASA-N 321.436 3.751 0 40 DHAB Cc1ccc(C)c(C(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1888853448 CISBXZFVCBOESP-HOTGVXAUSA-N 309.413 3.508 0 40 DHAB O=C1N[C@@H](c2c[nH]c3ccccc23)Nc2sc3c(c21)CCCC3 190671 HIFBJTRWHXFSOK-MRXNPFEDSA-N 323.421 3.962 0 40 DHAB Cc1cccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 424748 HOEONHFPJPWARL-MAUKXSAKSA-N 310.422 3.930 0 40 DHAB Cc1cc(CNC(=O)c2cccnc2Cl)c2ccccc2n1 1423786 ITPZGQFALHQYLC-UHFFFAOYSA-N 311.772 3.522 0 40 DHAB Clc1ccc(OCc2nnc3n2CCCCC3)c(Cl)c1 2251542 JVNYZOJQUUWJHV-UHFFFAOYSA-N 312.200 3.890 0 40 DHAB COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)OC(=O)C2 3164266 NQAHVVBTVWYTED-QGZVFWFLSA-N 318.756 3.546 0 40 DHAB Cc1csc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 5101590 PZGAKALAQSOSAK-GHMZBOCLSA-N 324.446 3.949 0 40 DHAB C[C@H]1C[C@H](C)CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 5186283 KXPRFOGIFRLJDK-KBPBESRZSA-N 311.425 3.760 0 40 DHAB biogenic CN(C)c1ccc(NC(=O)Nc2cn(C)c3ccccc23)cc1 5265807 DIIIPUJDXLTYQI-UHFFFAOYSA-N 308.385 3.888 0 40 DHAB CC(C)(C)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 5481610 IXCUEWFOIPWSEL-UHFFFAOYSA-N 319.474 3.991 0 40 DHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)cc1 7272425 FCRYIQZKRPJVMU-UHFFFAOYSA-N 317.772 3.731 0 40 DHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1F 7364424 HTOUJCDIRYQSEB-QGZVFWFLSA-N 312.344 3.563 0 40 DHAB CCOc1cc(-c2n[nH]c(=S)n2CC)ccc1OC(F)F 8484678 OQBFKZCMLVFVPC-UHFFFAOYSA-N 315.345 3.628 0 40 DHAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1F 10039560 NNDVNQHWJCVFAN-AWEZNQCLSA-N 324.396 3.704 0 40 DHAB O=C(NOCc1ccccc1)c1csc(-c2ccccc2)n1 10319086 MNCRKQLLLGUCOP-UHFFFAOYSA-N 310.378 3.672 0 40 DHAB CCOC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1C 10442046 AJXCAAVMKRFRCB-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(CC)cc2)cc1 10812400 INBWFSGXWFQLAP-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 11510262 OWEQREGKLRTPQM-UHFFFAOYSA-N 311.715 3.871 0 40 DHAB Cc1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 11764595 DLEBZVCOUFWRLB-UHFFFAOYSA-N 308.385 3.881 0 40 DHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1ccccc1 12819238 XJVUSULWSRDPKB-UHFFFAOYSA-N 324.302 3.949 0 40 DHAB C[C@@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)NCc1cccnc1 13786274 YOGMQUBAEAYSMA-RLFYNMQTSA-N 300.446 3.757 0 40 DHAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2c(s1)CCC2 15636433 PYZBJSIJRYWUHT-UHFFFAOYSA-N 322.817 3.611 0 40 DHAB Cc1ccccc1CSc1nnc(-c2ccccc2)c(O)n1 15987689 NTPVWCMNPJQSSK-UHFFFAOYSA-N 309.394 3.845 0 40 DHAB Cc1ccc(Nc2nnc(Cc3ccccc3)c(O)n2)c(C)c1 16777356 LVSQLFFYDLDWBS-UHFFFAOYSA-N 306.369 3.528 0 40 DHAB C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 17908526 IJYVGEQVZVFDTH-LBPRGKRZSA-N 302.805 3.897 0 40 DHAB CN1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 20082170 HQGSYTHDYZFBEW-UHFFFAOYSA-N 316.451 3.504 0 40 DHAB CCSc1ccccc1NC(=O)COc1ccc(OC)cc1 20489324 KXWNOBARKJNUNJ-UHFFFAOYSA-N 317.410 3.825 0 40 DHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 21611993 GCTYIERVOXLZBG-CHWSQXEVSA-N 317.458 3.835 0 40 DHAB CNC(=O)c1ccc(C)c(NC(=O)c2csc3ccccc23)c1 24922731 DXZZCWRKNZTRER-UHFFFAOYSA-N 324.405 3.822 0 40 DHAB CN(C)CCN(C)c1cc(-c2cccs2)nc2ccccc12 27310533 BCRRTWUYIYRLQW-UHFFFAOYSA-N 311.454 3.961 0 40 DHAB O=C(Nc1cccc(Nc2nccc(C(F)(F)F)n2)c1)C1CC1 29526671 XMCZBUYFDOXSRA-UHFFFAOYSA-N 322.290 3.588 0 40 DHAB C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)s1 32825797 RNUCBTKBMKEQJV-MRVPVSSYSA-N 319.810 3.580 0 40 DHAB Cc1ccc(OCc2nnsc2Cl)c2c1[C@H](C)CC2=O 32858470 KPKNIKSGEYLQIS-MRVPVSSYSA-N 308.790 3.769 0 40 DHAB O=C(Cc1cccs1)Nc1ccccc1CN1CCCC1 40090876 JASQLNLOUUIQON-UHFFFAOYSA-N 300.427 3.525 0 40 DHAB CC(C)OCc1ccc(CNC(=O)CCc2ccccc2)cc1 40122256 IWTIFCQFEXOXBC-UHFFFAOYSA-N 311.425 3.861 0 40 DHAB Cc1nc2cc(N[C@H](C)c3nc(C(C)(C)C)no3)ccc2o1 40511394 HKRQQJJPLBRNJZ-SECBINFHSA-N 300.362 3.990 0 40 DHAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cccc(OC)c1 40945947 PJNXOXHUIVGKIQ-CABCVRRESA-N 307.434 3.795 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 51874078 VTBHDMARMPZYMY-MRXNPFEDSA-N 316.788 3.752 0 40 DHAB COc1ccc2oc(Nc3nc4ccc(N)cc4s3)nc2c1 57352659 FWKVMDXVARIIPH-UHFFFAOYSA-N 312.354 3.772 0 40 DHAB CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc2c(c1)OCO2 57682127 KSRVYVKTQBDGBR-VQHVLOKHSA-N 303.402 3.760 0 40 DHAB CCOc1cc(C(=O)N[C@H](C)c2ccncc2)cc2occc12 72240106 UXMJIYFWOILPDP-GFCCVEGCSA-N 310.353 3.718 0 40 DHAB O=C(CNc1ccccc1Cl)Nc1cc(C2CCCC2)[nH]n1 72288743 SQNWHWNJWLGZRP-UHFFFAOYSA-N 318.808 3.771 0 40 DHAB CS[C@H](C)c1cccc(NC(=O)NC[C@H](C)C[C@H](C)O)c1 77705274 QYFHDKGKTSSIOP-FRRDWIJNSA-N 310.463 3.639 0 40 DHAB OCCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 78409431 RBMHRHVPFINBAS-UHFFFAOYSA-N 300.185 3.725 0 40 DHAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1Cl 78896929 NMPUDUNWAMLGKL-IIYDPXPESA-N 320.864 3.638 0 40 DHAB C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccccc2O)C1 79050031 WGONLIGRCSWPNG-HXUWFJFHSA-N 309.409 3.877 0 40 DHAB Cc1n[nH]c2cc(NC(=O)c3ccc(C(F)(F)F)nc3)ccc12 91836674 GOYISLQVWIVJOH-UHFFFAOYSA-N 320.274 3.537 0 40 DHAB Cc1cc(CSc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)no1 95442192 DTXBCPIGQMORSS-QMTHXVAHSA-N 306.435 3.926 0 40 DHAB CCOc1ccc([C@@H]2CC(c3ccc(C)o3)=NN2C(C)=O)cc1 96191643 KXCOFPGYIYLCAG-KRWDZBQOSA-N 312.369 3.684 0 40 DHAB CCn1nc(C)c(NC(=O)Nc2cccc(Cl)c2OC)c1C 96434288 GQALCUIOCJKHAY-UHFFFAOYSA-N 322.796 3.826 0 40 DHAB Clc1cc(Br)cc(Cl)c1N1CCOCC1 96511759 OEPIPURKSSCBCM-UHFFFAOYSA-N 311.006 3.593 0 40 DHAB COc1ccc(OC)c(CC(=O)N(C)[C@@H](C)c2cccs2)c1 96989825 LIRCJJWAUFJRMP-LBPRGKRZSA-N 319.426 3.527 0 40 DHAB C[C@H](CCC(=O)N1CCCCCC1)CC(=O)N1CCCCCC1 97139974 OWJFTYSLSZWPDZ-QGZVFWFLSA-N 322.493 3.598 0 40 DHAB O/C(=C\c1nc2ccccc2[nH]1)c1cc(Cl)c(O)cc1O 100656944 ZEXWKVHBKSSOGU-QPEQYQDCSA-N 302.717 3.684 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4ccc(Cl)cc4)C[C@@H]1CC[C@@]23C 100776552 SDMJHDVEKJYDPV-SPOWBLRKSA-N 305.805 3.874 0 40 DHAB COc1cccc(NC(=O)C(C)(C)C)c1[C@@H](O)c1ccccc1 103016212 LDXCRVRQKBWUCT-KRWDZBQOSA-N 313.397 3.762 0 40 DHAB ClC1=C(Cl)[C@@]2(Cl)C[C@@]1(Cl)[C@@H]1[C@H]3C[C@@H]([C@H]4O[C@H]34)[C@H]12 104223470 LIYPVKFEUBWTBI-ZQSVIPKPSA-N 312.023 3.698 0 40 DHAB CCn1cnnc1[C@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 107495465 WJDABNWSGRIIQQ-HIFRSBDPSA-N 318.852 3.892 0 40 DHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc3nccn3c2)o1 173557500 JBYKTJGLPKEMRS-XJKSGUPXSA-N 323.396 3.849 0 40 DHAB Cc1cc(-n2ccnc2)ccc1CN(C)[C@@H](C)c1ccccn1 192135483 DVGRNXNBNLRHNZ-INIZCTEOSA-N 306.413 3.769 0 40 DHAB CCCNc1ccc(CNC(=O)N[C@@H](C)c2nccs2)cc1 192444088 YCMPXLPOCJRRCC-LBPRGKRZSA-N 318.446 3.525 0 40 DHAB COc1ccc(CCC(=O)NCCSC2CCCC2)cc1C 224484182 RIQRSHYSBRXRHV-UHFFFAOYSA-N 321.486 3.728 0 40 DHAB COC(=O)c1cccc(NC(=S)NC(C(C)C)C(C)C)c1C 225327296 MOMIMJSTKUSMHF-UHFFFAOYSA-N 322.474 3.749 0 40 DHAB CCCCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225379072 ZPIQZIRRDSPYKK-UHFFFAOYSA-N 319.474 3.598 0 40 DHAB CO[C@](C)(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 225642837 KPKGBTMVTWPUTI-SFHVURJKSA-N 303.402 3.762 0 40 DHAB O=C(NCc1cccnc1-c1ccncc1)Nc1cccs1 225750163 PYWYVSKWZCXCIA-UHFFFAOYSA-N 310.382 3.527 0 40 DHAB Cc1cccnc1NC(=S)NC1(c2ccncc2)CCCC1 225872089 SSZIKNBYQKQAER-UHFFFAOYSA-N 312.442 3.541 0 40 DHAB CCc1nnc2sc(-c3cc4ccccc4cc3OC)nn12 226293840 DAWKLOLVQKHZMT-UHFFFAOYSA-N 310.382 3.577 0 40 DHAB COc1c(C(=O)Nc2nc3ccccc3n2C)oc2ccccc12 252495462 OQUSYFFCNRQECG-UHFFFAOYSA-N 321.336 3.580 0 40 DHAB CCC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(C(C)(C)C)C1 408976761 SAKLQHJWPVGRCX-MRXNPFEDSA-N 308.809 3.687 0 40 DHAB O=C(N[C@@H]1CCC[C@H](F)C1)[C@H]1CCN(c2ccccc2Cl)C1 582063974 OAVBZJCZSYUIMG-MELADBBJSA-N 324.827 3.563 0 40 DHAB Clc1ccccc1N1CCN(Cc2cc(C3CC3)on2)CC1 2298199220 PHLKKBYCVXCFAL-UHFFFAOYSA-N 317.820 3.528 0 40 DHAB Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O 4035 NCNFDKWULDWJDS-OAHLLOKOSA-N 319.408 3.538 0 40 DHAB investigational C[C@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2Cc2ccccc21 209308 KGUJICJKGOBPND-ZBEGNZNMSA-N 307.349 3.589 0 40 DHAB COc1ccc(C)cc1C(=O)[C@H]1C[C@H](C(=O)O)C(C)(C)[C@@H]1C 217031 KRNMUMVLRVSPQF-MBNYWOFBSA-N 304.386 3.569 0 40 DHAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccccc1F)CC3 337908 IWTWJFWCIJPJAR-UHFFFAOYSA-N 317.319 3.878 0 40 DHAB c1cncc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 414769 JMRVTYPOKGNEAF-UHFFFAOYSA-N 308.366 3.905 0 40 DHAB C[C@H](CN(C)C)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698656 YIVFNVSKOBCLBC-DNVCBOLYSA-N 317.860 3.968 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3356122 GGNOGJKVWFQTEM-UHFFFAOYSA-N 323.392 3.786 0 40 DHAB CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 4056194 IDALARWCTWEUDK-UHFFFAOYSA-N 310.305 3.995 0 40 DHAB biogenic CCC(C)(C)C(=O)Nc1nnc(CCc2ccccc2)s1 4696303 SJGKORVQBJFCPY-UHFFFAOYSA-N 303.431 3.698 0 40 DHAB COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cn1 5062377 JOQXDXOBIMNVFV-UHFFFAOYSA-N 311.168 3.578 0 40 DHAB O=C1COc2ccc(-c3csc(-c4ccccc4)n3)cc2N1 5156744 AAZGEBQRRAZIBF-UHFFFAOYSA-N 308.362 3.808 0 40 DHAB COc1ccc(CCNC(=O)Nc2cn(C)c3ccccc23)cc1 5265722 XPHHNXXIVWHJTL-UHFFFAOYSA-N 323.396 3.551 0 40 DHAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCC[C@H]1C 5628415 XXFFNUBOFHXZRJ-UPJWGTAASA-N 317.458 3.738 0 40 DHAB Cc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@H]1C 7878278 REVNKJMPMDSWAO-CQSZACIVSA-N 314.454 3.923 0 40 DHAB CC(C)[C@@H](NC(=O)Cn1cnc2ccccc21)c1cccs1 10519801 LCFBXVXTANUJGX-QGZVFWFLSA-N 313.426 3.611 0 40 DHAB Cc1cccc(Nc2ccccc2C(=O)N2CCO[C@H](C)C2)c1C 11495550 BZOYFZNFDGYGBX-OAHLLOKOSA-N 324.424 3.908 0 40 DHAB CCOc1ccc2[nH]c(=O)c(CNc3cccc(C)c3)cc2c1 12493146 NXQDLXLVZHLDBR-UHFFFAOYSA-N 308.381 3.847 0 40 DHAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3)ccc(F)c21 12999146 PPQUCLJZZBXFIA-NSHDSACASA-N 313.328 3.533 0 40 DHAB Cn1/c(=N/C(=O)/C=C/c2ccc(F)cc2)sc2ccccc21 13209341 RKZBDGNKRSCVNT-BYKMTTGHSA-N 312.369 3.520 0 40 DHAB Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)O)c1ccccc1 13250341 ZFSPWHPXARNZOZ-ZDUSSCGKSA-N 317.772 3.845 0 40 DHAB Clc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCOC1 13990813 JHLCPDHFKUHYPQ-HNNXBMFYSA-N 316.832 3.774 0 40 DHAB CC(=O)c1cccc(NC(=O)/C=C/c2nc3ccccc3o2)c1 14021463 XVWHGQLVWMTBJI-MDZDMXLPSA-N 306.321 3.682 0 40 DHAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccccn1 14304610 DWDBVTTWMNLWIF-UHFFFAOYSA-N 320.348 3.891 0 40 DHAB O=C(COc1ccccc1-c1ccccc1)Nc1cccnc1 15435584 UFQLEIBHOKLMLM-UHFFFAOYSA-N 304.349 3.766 0 40 DHAB C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 17916564 OJYSVBCSDPYYLW-AWEZNQCLSA-N 323.371 3.562 0 40 DHAB Fc1cccc(Nc2nc(C3CCNCC3)c3ccccn23)c1 19399766 SCBIJQQNKSBAFZ-UHFFFAOYSA-N 310.376 3.684 0 40 DHAB O=C(Nc1ccc(Br)cc1)c1cc(F)ccc1F 19474728 JVFSVFOJFVHTHF-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CCOC(=O)c1cnc2c(OC)ccc(Cl)c2c1Cl 19808122 AGBHYOGNFFMSBZ-UHFFFAOYSA-N 300.141 3.727 0 40 DHAB C[C@@H](Oc1cccc(F)c1)C(=O)NCc1ccc(Cl)s1 25527525 JWYSVTVDBBAHNT-SECBINFHSA-N 313.781 3.624 0 40 DHAB Cc1ccc(CN(C)C(=O)Cc2ccc(-n3cccc3)cc2)cc1 32817808 WHJBVLPHUBHCSJ-UHFFFAOYSA-N 318.420 3.987 0 40 DHAB CCOC(=O)c1cnc2ccc(Cl)cc2c1N(CC)CC 34925901 BHJNBFVLIATIRG-UHFFFAOYSA-N 306.793 3.911 0 40 DHAB CCc1cc(C(=O)N(CC)c2ccccc2)c2c(C)noc2n1 36621638 WXAXYBVOAHYQQF-UHFFFAOYSA-N 309.369 3.760 0 40 DHAB COc1ccccc1CNCCc1c(C)[nH]c2ccc(F)cc12 36657747 OQXYKZSAIUWVFM-UHFFFAOYSA-N 312.388 3.956 0 40 DHAB Cc1cccc(C(=O)NCc2cccnc2OC2CCCC2)c1 40089457 NSQIMLCUNXGQPM-UHFFFAOYSA-N 310.397 3.641 0 40 DHAB CCC[C@H](C)NC(=O)Nc1cc(NC(=O)C2CC2)ccc1C 58148747 BKMPTNGRLMVWEV-LBPRGKRZSA-N 303.406 3.654 0 40 DHAB O=C(CCc1ccc(F)cc1)NCCSc1ccccc1 61083176 VICWYUIUXQJAEI-UHFFFAOYSA-N 303.402 3.667 0 40 DHAB COc1cc(C)cc2c(Nc3ccc(C(=O)O)cc3)ccnc12 64874667 BLYFYXREWNLMIE-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB O=C(Nc1nnc(-c2ccsc2)s1)c1cc(Cl)c[nH]1 69535882 PFICJZVPJKYIQI-UHFFFAOYSA-N 310.791 3.500 0 40 DHAB CCCC(=O)NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 69587939 PQNQPSOLZWDAPC-QGZVFWFLSA-N 322.493 3.502 0 40 DHAB C[C@@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)C1CC1 71909584 DQJTWPMDLIJDDX-VERVWZFWSA-N 322.474 3.654 0 40 DHAB CCOc1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc23)nn1 72168663 COSFKPIMBQQEBV-UHFFFAOYSA-N 323.400 3.773 0 40 DHAB CCOCCCNC(=O)c1ccc(-c2nc3ccccc3o2)cc1 72193679 SLDQHVLBNAKEEU-UHFFFAOYSA-N 324.380 3.651 0 40 DHAB CCCCCC(=O)Nc1ccc(-c2csc(CO)n2)cc1 72312400 YSQRUVOKWMPSME-UHFFFAOYSA-N 304.415 3.821 0 40 DHAB C[C@@H](NC(=O)CC1(O)CCCCC1)c1ccc(F)c(Cl)c1 73050262 LASSDWMDPHCXFA-LLVKDONJSA-N 313.800 3.742 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)N[C@H](c1nccs1)C1CC1 74708933 LBYKXNNYKYDRAH-NHYWBVRUSA-N 313.426 3.755 0 40 DHAB COC(=O)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 75629719 MZSGCJXSOIQHTA-OAHLLOKOSA-N 319.401 3.854 0 40 DHAB Cn1ccnc1-c1cccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 77445026 KLAUQSMGVWPVDI-YOEHRIQHSA-N 324.428 3.884 0 40 DHAB Cc1ccc([C@H]2COCCN2C(=O)CCCc2ccccc2)o1 89652699 YUJCRXFFWANCOV-QGZVFWFLSA-N 313.397 3.511 0 40 DHAB c1ccc(-c2nnco2)c(OCc2cccc3cccnc23)c1 89821292 WXFXKJTXOWWSPG-UHFFFAOYSA-N 303.321 3.864 0 40 DHAB Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cnn(C(C)C)c1C 92496574 SDNDSRRGVKNUGP-CYBMUJFWSA-N 313.401 3.509 0 40 DHAB CC(=O)c1csc(C(=O)N(CCc2nccs2)C(C)C)c1 95436474 QKJTZYSIIDTYNC-UHFFFAOYSA-N 322.455 3.501 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)c(C)n1 96449713 UBERBICMXVLRQP-UHFFFAOYSA-N 320.352 3.533 0 40 DHAB Cc1ccc(C(=O)NC2CC2)cc1N[C@H](C)c1ccc(F)cn1 97232005 BIKWGNQPIWRGOI-GFCCVEGCSA-N 313.376 3.594 0 40 DHAB CCCOc1cccc(NC(=O)[C@H](C)c2c(C)n[nH]c2C)c1 97372325 OQFHYPBGLFMCFI-LLVKDONJSA-N 301.390 3.558 0 40 DHAB C/C(=C/C(=O)Nc1ccc(Cl)cc1)NCc1ccccc1 100095445 MORJPKGIPPULPU-QBFSEMIESA-N 300.789 3.972 0 40 DHAB C[C@]12C[C@@H](NC(=S)N1CCc1ccccc1)c1ccccc1O2 101183321 IQDZSSFZPRHATQ-APWZRJJASA-N 324.449 3.659 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1CCC[C@@H](C)C1 216864850 GJTZWPDMGLNXPE-GFCCVEGCSA-N 303.450 3.798 0 40 DHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1c(C)cccc1C 225744118 QEKLIYVKFIOREA-UHFFFAOYSA-N 320.392 3.565 0 40 DHAB CCCOC1(C(=O)Nc2ccc(OCC)nc2)CCCCCC1 225910006 QKGKIRIHMXVJSW-UHFFFAOYSA-N 320.433 3.938 0 40 DHAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@@H]2C)cc1 226284973 MIVZUFICAOUDEG-LBPRGKRZSA-N 314.351 3.981 0 40 DHAB NC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 226322016 URHFPTMVMHEDIM-UHFFFAOYSA-N 314.143 3.810 0 40 DHAB O=C(c1ccnnc1)N(Cc1ccccc1F)C1CCCCC1 270555023 IDQDYHORHMJZJB-UHFFFAOYSA-N 313.376 3.591 0 40 DHAB Cc1cccc(C)c1NC(=O)C(=O)NCc1ccc(C(C)C)cc1 353926355 YPOZUTLVMAYRRH-UHFFFAOYSA-N 324.424 3.682 0 40 DHAB O=C(CSc1nc2ccccc2s1)N[C@H]1C[C@H]2CC[C@H]1C2 408545865 ATNDVWLGAWZWJK-GVXVVHGQSA-N 318.467 3.693 0 40 DHAB COc1ccc(-c2cc(-c3ccc(F)cc3)n3ncnc3n2)cc1 409059569 QSDASJOIKNGGAN-UHFFFAOYSA-N 320.327 3.606 0 40 DHAB O=C([C@H]1CC=CCC1)N1CCC(c2ccc3cccnc3n2)CC1 655265867 NUPMDERLNPCSCF-KRWDZBQOSA-N 321.424 3.692 0 40 DHAB CC(C)(C)OC(=O)N1CCCC2(CCC(CC(=O)O)CC2)C1 953109413 NTFNCMBFEIXBAF-UHFFFAOYSA-N 311.422 3.669 0 40 DHAB CC(C)C1(C(=O)OCc2ccccc2)CCC2(CC1)OCCO2 1776010723 IWRRTECYUYAVPV-UHFFFAOYSA-N 318.413 3.689 0 40 DHAB Clc1nc(NCc2ccccc2)nc(Nc2ccccc2)n1 87001 CTOMMDBBJMSBDQ-UHFFFAOYSA-N 311.776 3.881 0 40 DHAB CN1CCC(=C2c3ccccc3[C@@H](O)Cc3sccc32)CC1 1859126 ZSHTUWQHLKCHLO-KRWDZBQOSA-N 311.450 3.865 0 40 DHAB CCCNCCC[C@H](C)Nc1cc(OC)cc2cccnc12 2042685 OBQPWUVTUAUJNI-AWEZNQCLSA-N 301.434 3.824 0 40 DHAB CCCCOC(=O)c1ccc(OC(=O)c2cccs2)cc1 2065831 HDHIDWCGWAWUDV-UHFFFAOYSA-N 304.367 3.924 0 40 DHAB O=Cc1ccc(Oc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 2554029 SSUQMELIGAJBJX-UHFFFAOYSA-N 308.259 3.978 0 40 DHAB COC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCC2 2737385 LHTFMLLZZVPDNC-UHFFFAOYSA-N 316.382 3.667 0 40 DHAB O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1O 3278285 AZWZWJWKZKCJKA-UHFFFAOYSA-N 311.362 3.873 0 40 DHAB c1ccc(CCCN2CCC(N3CCCCCC3)CC2)cc1 4703444 VPJARABEBUHTDW-UHFFFAOYSA-N 300.490 3.960 0 40 DHAB OC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)OCO2 4972398 AZQPMMUDFUPTQL-UHFFFAOYSA-N 304.345 3.700 0 40 DHAB O=C(O)C1(NCc2cccc(C(F)(F)F)c2)CCCCC1 8698559 TZPNGAPPEIUPNN-UHFFFAOYSA-N 301.308 3.583 0 40 DHAB O=C(CCc1cccnc1)Nc1nc2c(F)cc(F)cc2s1 9368661 LDOCGPVDKQFNLO-UHFFFAOYSA-N 319.336 3.541 0 40 DHAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cccnc1 12534469 YUUHILBSLSTKCO-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB Cc1ccc(CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1 12566463 DAEUJMGTCAQYKE-UHFFFAOYSA-N 311.410 3.536 0 40 DHAB CCOC(=O)c1cc(CSc2nc3ccccc3s2)on1 13642290 PLYUNGOBIKVQGR-UHFFFAOYSA-N 320.395 3.753 0 40 DHAB Cc1ccc(C)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 15269733 CJFNJGQUTDGKGL-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1cccc(C)c1C 17970250 ILLAAJKVBXVHRC-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 18100469 IVDPCBAMVHDKTB-QXGSTGNESA-N 315.372 3.665 0 40 DHAB Cc1nc2sccn2c1CN1CCc2sccc2[C@@H]1C 19555081 MKQAJKDRMLZDOA-NSHDSACASA-N 303.456 3.885 0 40 DHAB CC(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1 19814220 DNGSGIHXJZBTIP-UHFFFAOYSA-N 306.369 3.643 0 40 DHAB CCc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1 19842124 APFIHFHHBZELPP-UHFFFAOYSA-N 324.468 3.575 0 40 DHAB N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 21503001 DUBZITIVDSZLKP-CYBMUJFWSA-N 309.196 3.502 0 40 DHAB Cc1csc(CNC(=O)c2cc(Cl)ccc2Cl)n1 22282265 JHNKESVUDMSEFE-UHFFFAOYSA-N 301.198 3.688 0 40 DHAB CN(Cc1ccccc1N1CCCCC1)C(=O)NC1CCCC1 25072743 NMQKRKLQFHNAAI-UHFFFAOYSA-N 315.461 3.761 0 40 DHAB CCCCC(=O)NCCc1csc(-c2ccc(C)cc2)n1 28288403 ANLOVMCBBCCPPI-UHFFFAOYSA-N 302.443 3.967 0 40 DHAB CC(=O)Nc1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 30662019 INLZZKNSPOOZFG-LSDHHAIUSA-N 314.351 3.856 0 40 DHAB CCc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 31214512 OMNSOYARFDOPFP-UHFFFAOYSA-N 315.417 3.891 0 40 DHAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)CCc2ccco2)cc1 32716962 XQOJOVQIJCLRKK-OAHLLOKOSA-N 313.397 3.688 0 40 DHAB Clc1snnc1COc1ccccc1Br 35163650 OESAFRNQDDEVRW-UHFFFAOYSA-N 305.584 3.533 0 40 DHAB C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)s1 37020893 BHJSUOSPYWNLPB-JQWIXIFHSA-N 308.834 3.669 0 40 DHAB CCC(C)(C)c1ccc(C(=O)O)cc1I 39951767 DSXDMGOYNKPGFL-UHFFFAOYSA-N 318.154 3.677 0 40 DHAB CC(=O)Oc1ccc(C(=O)c2ccccc2Br)cc1 43209922 JJPADGRBOLMGKG-UHFFFAOYSA-N 319.154 3.605 0 40 DHAB CC(C)(C)C[C@H](NC(=O)c1cnccn1)c1ccc(F)cc1 48363635 PQDLIDATGYHNOZ-AWEZNQCLSA-N 301.365 3.523 0 40 DHAB Cc1cccc(NC(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 48807525 FOTANESBBVFFPF-UHFFFAOYSA-N 304.733 3.991 0 40 DHAB Cc1nc(C)c(C(=O)Nc2nc3c(s2)CCCCC3)s1 48811486 VQIGPYNIEDQBPK-UHFFFAOYSA-N 307.444 3.738 0 40 DHAB O=C1OCCN1Cc1ccc(Nc2nc3ccccc3o2)cc1 52487007 UJCURUJDCVEXIJ-UHFFFAOYSA-N 309.325 3.524 0 40 DHAB O=C(NCc1cccc(F)c1)NC[C@@H]1CCCc2ccccc21 57888988 PNWQVMROWWQXEM-INIZCTEOSA-N 312.388 3.745 0 40 DHAB CN(CCc1ccncc1)C(=O)Cc1cc(Cl)ccc1Cl 58406272 WAUOAMSOFUXACX-UHFFFAOYSA-N 323.223 3.632 0 40 DHAB CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]2CC=CCC2)c1 65590454 OZRHPWQKAVRFKP-AWEZNQCLSA-N 315.417 3.821 0 40 DHAB O=C(c1ccc[nH]1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 71416259 JYVJIODVSLTJNO-ZDUSSCGKSA-N 318.367 3.778 0 40 DHAB CC(C)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 72291478 JUNIMNVBFNLATO-UHFFFAOYSA-N 316.426 3.615 0 40 DHAB CSc1ccc(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)cc1F 72296890 QRJLAUSCBREMLQ-VIFPVBQESA-N 321.421 3.640 0 40 DHAB Cc1cnc2[nH]c(C(C)C)c(CN3C[C@H](C)O[C@@H](C)C3)c2c1 72395264 VMCZPRQLNYTVSC-KBPBESRZSA-N 301.434 3.604 0 40 DHAB Cc1ccc(Nc2nnc(-c3nc(C(C)C)oc3N)s2)cc1 80346125 VVACDVRCCSLDAX-UHFFFAOYSA-N 315.402 3.951 0 40 DHAB CS[C@H]1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1 84642958 QPXFLNSKLZAGTR-JQWIXIFHSA-N 324.412 3.787 0 40 DHAB Cc1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1-c1ncco1 89652179 CBZJBSDMJASUPL-ZDUSSCGKSA-N 317.414 3.619 0 40 DHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Cl)s1 95951879 UGEDMKHJENWVRB-DRZSPHRISA-N 313.850 3.708 0 40 DHAB Cc1c(C(=O)N[C@H](CCO)C(C)(C)C)sc2ccc(F)cc12 95993451 ULDFOKZXQHMVIR-CQSZACIVSA-N 323.433 3.876 0 40 DHAB CCCc1ncc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)s1 96424987 VJIVJPZRKRFXPQ-JTQLQIEISA-N 304.419 3.515 0 40 DHAB C[C@H](CO)N(C)C(=O)Nc1ccc(SC2CCCC2)cc1 97048658 XAYGRNTZGCWMDG-GFCCVEGCSA-N 308.447 3.566 0 40 DHAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1ccc(C)cc1 222861714 DUYVCPYKGQIZKE-IBGZPJMESA-N 311.425 3.901 0 40 DHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)nc1C 225904671 JJEYOFGLYYSGNH-SFHVURJKSA-N 322.449 3.959 0 40 DHAB CCOc1ccc(NC(=O)c2ccc(C)c(Cl)c2)c(N)c1 226347129 PPAFPMBJTQAXLU-UHFFFAOYSA-N 304.777 3.882 0 40 DHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 252479731 BLQUQSCENCIJSW-WCBMZHEXSA-N 305.271 3.751 0 40 DHAB CCn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2cc(C)ccc21 408712935 CESUZHAMCKXGPT-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 585100193 HLMHPFIYXBXSAN-FXAWDEMLSA-N 314.473 3.832 0 40 DHAB CCOCC[C@H]1CCOC12CCN(Cc1ccc(C)cc1)CC2 585104651 KFBFVOVCWWZQQO-IBGZPJMESA-N 317.473 3.793 0 40 DHAB CCCc1sc(-n2cccc2)nc1C(=O)Nc1ccccn1 1565524470 NKFKPTUGDUBBQU-UHFFFAOYSA-N 312.398 3.534 0 40 DHAB COc1ccc(CCNC(=O)N2CCC(=C3CCC3)CC2)cc1 1775986061 RRYDNYMUTGOELS-UHFFFAOYSA-N 314.429 3.524 0 40 DHAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C1=O 49279 OMWHWNXMGRTOLH-DJDHSFSDSA-N 319.404 3.787 0 40 DHAB C[C@@]12C[C@@H](NC(=S)N1c1ccc(F)cc1)c1ccccc1O2 424761 MIRXROIFTIRLAE-RHSMWYFYSA-N 314.385 3.760 0 40 DHAB CC(C)COc1nc2ccccc2c(=O)n1C1CCCCC1 500696 MPIYCOQMTUGRQQ-UHFFFAOYSA-N 300.402 3.937 0 40 DHAB COc1cccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1 526916 VLHYGHWPJKQCGG-UHFFFAOYSA-N 322.393 3.837 0 40 DHAB Cc1ccc(-c2nnc(NCCCO)c3ccccc23)cc1C 2888933 FLNCWFATIXBROV-UHFFFAOYSA-N 307.397 3.708 0 40 DHAB CC(C)CCN(CCC(C)C)C[C@@H](O)COc1ccccc1 3311793 PLOJMSCLMUNNGN-GOSISDBHSA-N 307.478 3.821 0 40 DHAB COc1cc(NC(=O)c2ccc3ncsc3c2)cc(OC)c1 3333174 BPGKYIIFBPDXDN-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB O=C(COc1cc(Cl)ccc1Cl)NCc1ccccc1 4036844 JFADMJIFCSFUFN-UHFFFAOYSA-N 310.180 3.689 0 40 DHAB COc1ccccc1C(O)(c1ccccc1)c1ccccc1OC 4783575 ZAQBAXPCNLCRMA-UHFFFAOYSA-N 320.388 3.988 0 40 DHAB COc1cc(OC)cc(C(=O)Nc2ccc(C)cc2Cl)c1 5637268 UVZAPUFOJDRFAX-UHFFFAOYSA-N 305.761 3.918 0 40 DHAB O=C(CSc1nnc2ccccn12)c1ccc2c(c1)CCCC2 6114845 FTDDJSWLTGVFPX-UHFFFAOYSA-N 323.421 3.583 0 40 DHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCC[C@H](C)C1 6355911 JHQZQXQDMVUSSM-BBWFWOEESA-N 305.462 3.672 0 40 DHAB Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1)S[C@@H](C)C(=O)N2 6678487 FFGOKLQQCUJGBX-UFBFGSQYSA-N 307.806 3.535 0 40 DHAB CCCCNC(=S)SCCOC(=O)Nc1ccccc1 6783180 XMSBTKIYCGDNSE-UHFFFAOYSA-N 312.460 3.643 0 40 DHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=O)c(C)c1 8369193 CWIVNLKNGRBWAD-UHFFFAOYSA-N 317.772 3.787 0 40 DHAB CCn1c2ccccc2c2cc(N[C@H]3CCCCNC3=O)ccc21 12526774 UUMIWZGDXRIAAJ-KRWDZBQOSA-N 321.424 3.895 0 40 DHAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccnc1 12529467 HRJPUKXWTAXRCC-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1(c2ccccc2)CC1 12758198 PVCLWFSRDXQOCE-UHFFFAOYSA-N 317.291 3.678 0 40 DHAB Cc1cccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)O)c1 12759176 XUWJIYFLAJTXKI-LBPRGKRZSA-N 315.394 3.813 0 40 DHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(Cl)cc1 12997996 IGYWFNYMRSDKTD-LLVKDONJSA-N 320.845 3.959 0 40 DHAB COC(=O)c1sccc1NC(=O)c1cc(Cl)ccc1F 15606800 ILGQYJYGBUOYPW-UHFFFAOYSA-N 313.737 3.580 0 40 DHAB COc1ccc2cc3c(nc2c1)N(C(=O)c1cccs1)CC3 15842111 ACWDYCGFXHAXCJ-UHFFFAOYSA-N 310.378 3.508 0 40 DHAB CCOc1ccc([C@H]2NC(=O)NC3=C2CCc2ccccc23)cc1 16996036 NDIQDMXOXZWFBW-GOSISDBHSA-N 320.392 3.797 0 40 DHAB COCCOC(=O)c1ccccc1-c1nc2ccccc2s1 18271380 OWQWMCYNLRYBTP-UHFFFAOYSA-N 313.378 3.767 0 40 DHAB CC(=O)c1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 24574867 ZYHIKKJBUJGOBF-UHFFFAOYSA-N 318.376 3.861 0 40 DHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1onc2c1CCCC2 27662287 TZHHZNSGKNNSSK-SNVBAGLBSA-N 320.776 3.613 0 40 DHAB CCn1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)nc2ccccc21 27923510 CPXXGNZCEDRJPC-GJZGRUSLSA-N 305.381 3.798 0 40 DHAB CCCCc1ccc(NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 28210342 ZYTGYDXSLQSQEZ-UHFFFAOYSA-N 321.380 3.518 0 40 DHAB CCCCNC(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C 29723197 UNJWBKYSOVMDGE-CQSZACIVSA-N 314.433 3.649 0 40 DHAB Cc1cc2cc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc2[nH]1 31721952 KCOPPLSALMATMC-UHFFFAOYSA-N 322.336 3.555 0 40 DHAB Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1C 40293564 WIHMRCOGDWNSLY-UHFFFAOYSA-N 319.202 3.900 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)Nc1nnc(C2CC2)s1 43359419 NGJHLUNCWRFFTK-JTQLQIEISA-N 302.403 3.640 0 40 DHAB CSc1nc(N)cc(Nc2ccc(Cl)c(Cl)c2)n1 49467381 LHTBBFHLJGWIRP-UHFFFAOYSA-N 301.202 3.831 0 40 DHAB CC(C)(C)c1ccc(C(=O)NC[C@H](O)c2cccs2)cc1 49912686 BBAHGMYURHTXMY-AWEZNQCLSA-N 303.427 3.509 0 40 DHAB CC[C@@H](C(=O)Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1 58161516 OJAPXTJLOVLFCG-OAHLLOKOSA-N 324.359 3.539 0 40 DHAB Cc1ncc(CN(C)C(=O)c2[nH]c3ccccc3c2Cl)s1 58495205 LCSWGZGDQZQJJJ-UHFFFAOYSA-N 319.817 3.858 0 40 DHAB Cc1nc(-c2ccc(OC(=O)C3(c4ccccc4)CC3)cc2)no1 60960615 WOJJMQALQHXUCR-UHFFFAOYSA-N 320.348 3.682 0 40 DHAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C)sc2C)C1 69920434 OBBZCPWXRVDTFL-CQSZACIVSA-N 317.458 3.601 0 40 DHAB COc1ccc(-c2nc(CNc3ccc(C)c(F)c3)no2)cc1 72312436 OHWCNFKOSOFYER-UHFFFAOYSA-N 313.332 3.805 0 40 DHAB COc1ccccc1CC(=O)NC(C)(C)c1ccc(F)c(F)c1 75106203 ZBHHIDPRHDHECT-UHFFFAOYSA-N 319.351 3.567 0 40 DHAB C[C@H]1CCN(C(=O)CSc2ccncc2)[C@@H](c2ccco2)C1 75389744 PYFVLGCBPHEFAH-DZGCQCFKSA-N 316.426 3.767 0 40 DHAB C[C@@H](c1cccc(O)c1)N(C)CCc1nc(-c2ccccc2)no1 77285097 XRUDUXCJBONNPF-AWEZNQCLSA-N 323.396 3.678 0 40 DHAB CSC[C@@H]1CCCN1Cc1cnc(-c2cccnc2)s1 93760841 NDDWGIIPGQRKPS-ZDUSSCGKSA-N 305.472 3.533 0 40 DHAB C[C@@H](c1ccco1)N(C(=O)NC[C@H](C)c1ccncc1)C1CC1 95409989 GOQOESCFHYILMN-KBPBESRZSA-N 313.401 3.713 0 40 DHAB O=C(c1cccc2cc[nH]c12)N(Cc1ccco1)C[C@@H]1CCCO1 95429525 VMTWGMKGHMPDKT-INIZCTEOSA-N 324.380 3.582 0 40 DHAB Cc1csc(CNc2ccccc2N2C[C@H](C)O[C@@H](C)C2)n1 95448626 ZWZRKHDBRVMLKQ-KBPBESRZSA-N 317.458 3.677 0 40 DHAB O=C(Nc1cccc2[nH]ccc12)c1csc(-n2cccc2)n1 95478129 MDDZJGWXMNYCHR-UHFFFAOYSA-N 308.366 3.667 0 40 DHAB S=C(SCc1cn2cc(Cl)ccc2n1)N1CCCC1 95947479 YJZPEZJPSJWHDN-UHFFFAOYSA-N 311.863 3.602 0 40 DHAB O=C(O)c1c(Cl)cc(Br)cc1Br 96171732 ZLDNWXCKNRGTGP-UHFFFAOYSA-N 314.360 3.563 0 40 DHAB CO[C@H](C)c1cccc(NC(=O)NCc2ccc(O)c(F)c2)c1 96415893 KQRPNLHHGNAZMX-LLVKDONJSA-N 318.348 3.560 0 40 DHAB COc1ccc(C[S@](=O)CC[C@H]2CCCCO2)cc1Cl 195579630 PDQYDVYDEVFPCF-ZUOKHONESA-N 316.850 3.557 0 40 DHAB CO[C@@](C)(C(=O)Nc1cc(-c2ccccc2)on1)c1ccccc1 225419594 BDOSPNGAUGGKOV-LJQANCHMSA-N 322.364 3.842 0 40 DHAB Cc1cnc(-c2noc(C[C@H]3C[C@@H](C)c4c(C)cccc43)n2)nc1 564266893 PSNIERHYRHNPCB-ZIAGYGMSSA-N 320.396 3.977 0 40 DHAB Cc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 202388 WMJYFPLRHFKBDA-OQLLNIDSSA-N 312.756 3.746 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 559509 NVBIDSVPTJDTRB-AWNIVKPZSA-N 324.380 3.696 0 40 DHAB C[C@@H](CN1CCCC1)[C@](O)(Cc1ccccc1)c1ccccc1 1726853 HAHXIOSXBVTRRT-GHTZIAJQSA-N 309.453 3.849 0 40 DHAB CCCSc1nnc2c(n1)O[C@H](CC)Nc1ccccc1-2 2503166 YQYMXGZNSDCOOO-GFCCVEGCSA-N 302.403 3.581 0 40 DHAB CCn1c2ccccc2c2cc(NC(=O)c3cnsn3)ccc21 2550182 PYSMXNWUJRZHKR-UHFFFAOYSA-N 322.393 3.918 0 40 DHAB CCC[C@@H](C)C(=O)OCC(=O)Nc1nc2ccc(C)cc2s1 3239563 KMMWECJVSCYMCK-LLVKDONJSA-N 320.414 3.523 0 40 DHAB CCC(CC)C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 3243028 YNMOTBSFWBCSGM-UHFFFAOYSA-N 318.200 3.911 0 40 DHAB COc1nc2c(C)cccc2cc1-c1noc(-c2cccnc2)n1 4383819 GRDFMCWGTKSCND-UHFFFAOYSA-N 318.336 3.664 0 40 DHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2 5268694 RAHVBTCEQXLNSC-UHFFFAOYSA-N 319.408 3.726 0 40 DHAB O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1 8707890 MODPWQOCQGDENH-JTQLQIEISA-N 320.742 3.553 0 40 DHAB CSCc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)oc2ccccc12 9314552 PAPKODLNGNVSEY-VXGBXAGGSA-N 319.426 3.545 0 40 DHAB CCc1cccc2c(C(=O)C(=O)Nc3cc(C)ccc3F)c[nH]c12 9615222 DSMRWHJBQUIIHT-UHFFFAOYSA-N 324.355 3.999 0 40 DHAB Cc1nc2ccccc2n1CC(=O)Nc1cccc2c1CCCC2 10006543 PUWIRDBBRYAFRA-UHFFFAOYSA-N 319.408 3.862 0 40 DHAB CCOCCOc1cccc(NC(=O)NC2CCCCC2)c1 10325549 KRRYILGCPAXNLK-UHFFFAOYSA-N 306.406 3.556 0 40 DHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 10404859 NINVIWNZQBUZDC-UHFFFAOYSA-N 303.745 3.640 0 40 DHAB Cc1cc(C)c2[nH]c(C(=O)NCCCc3ccccn3)c(C)c2c1 12148586 BDXZLLZIOVBRHK-UHFFFAOYSA-N 321.424 3.851 0 40 DHAB C[C@@H]1CCCCN1C(=O)CCn1c(C(F)F)cc2cccnc21 12187262 MZPPNKMCVXJLTF-GFCCVEGCSA-N 321.371 3.765 0 40 DHAB Cc1cc2occ(CC(=O)NCCC[C@@H]3CCOC3)c2cc1C 12204142 ISUAKHPYRZNCLE-OAHLLOKOSA-N 315.413 3.525 0 40 DHAB COC(=O)c1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12 12397166 ARLPCHLXNBOIOV-UHFFFAOYSA-N 312.300 3.693 0 40 DHAB Cc1cc(OCC(=O)Nc2cccc(Oc3ccccc3)c2)no1 14228141 MZITWRGJAZAHBF-UHFFFAOYSA-N 324.336 3.793 0 40 DHAB Cc1ccc(C)c([C@@H](C)NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 14573280 WTBIZIOVUDECEG-KDOFPFPSSA-N 323.392 3.782 0 40 DHAB Cc1c(C(=O)N2CCCCCC2)oc2c1[C@@H](O)CC(C)(C)C2 16740244 HSWUQIYGJIOMMQ-ZDUSSCGKSA-N 305.418 3.610 0 40 DHAB O=C(Nc1ccc(F)cc1Cl)c1noc2c1CCCCC2 20436024 BQKQVWKYABMTAC-UHFFFAOYSA-N 308.740 3.988 0 40 DHAB Cc1ccc2nc(NC(=O)c3cccc4cn[nH]c34)sc2c1 25516742 QNMBNDSTMMMKAD-UHFFFAOYSA-N 308.366 3.733 0 40 DHAB COc1ccc2nc(C)c(C(=O)Nc3ccc(F)cc3)cc2c1 25949891 TVTWMBZAXAVEQA-UHFFFAOYSA-N 310.328 3.943 0 40 DHAB O=C(Cc1c(F)cccc1Cl)NCC1(c2ccccc2)CC1 26490941 TXJVTINSDWHKHP-UHFFFAOYSA-N 317.791 3.870 0 40 DHAB CCOCc1ccc(CNC(=O)N(C)Cc2ccccc2)cc1 28993597 WDHCRRVPSUOTLB-UHFFFAOYSA-N 312.413 3.565 0 40 DHAB O=C(Cc1ccc(OC(F)F)cc1)Nc1nc2ccccc2o1 32739400 NKPZNWGLBFUMRG-UHFFFAOYSA-N 318.279 3.610 0 40 DHAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@]1(C)CC1(Cl)Cl 36397969 LRGKZCJIFFWLJI-RNCFNFMXSA-N 320.647 3.971 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccccc1F 55694050 GMNOGZNLLMNPFZ-HNNXBMFYSA-N 315.388 3.650 0 40 DHAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1C1CCCC1 56034004 ZBDZBMMEYDJGOH-KRWDZBQOSA-N 311.429 3.677 0 40 DHAB Cc1nc(C)c(CSc2nc(O)c3ccccc3n2)s1 95402938 MXZYYJRQSUGGAW-UHFFFAOYSA-N 303.412 3.701 0 40 DHAB COc1ccccc1-c1nnc(CSc2ccccc2O)o1 95406448 BRJRPSGUZXRNKA-UHFFFAOYSA-N 314.366 3.743 0 40 DHAB CCSc1ccccc1NC(=O)N1CC[C@@H](CN(C)CC)C1 95407644 URWDNHMFHXDPIY-AWEZNQCLSA-N 321.490 3.604 0 40 DHAB CC(C)(C)Oc1ccc(C(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 95633968 XRZXKSQWHZDNIE-LSDHHAIUSA-N 304.386 3.938 0 40 DHAB CSc1ccc(O[C@H](C)C(=O)Nc2ccncc2C)cc1 96419273 FVXHLUJCWXWMTF-GFCCVEGCSA-N 302.399 3.518 0 40 DHAB CC(=O)c1c[nH]c(C(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c1 96433183 OMGVBOIOLGBHAI-MEDUHNTESA-N 314.385 3.732 0 40 DHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 96659583 ODFADNOMXQGHBM-UHFFFAOYSA-N 323.389 3.722 0 40 DHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccnc2-n2ccnc2C)C1(C)C 96999282 DRZKEVXJKOKCBQ-HOCLYGCPSA-N 324.428 3.753 0 40 DHAB COc1nn(-c2ccccc2)c2cc(Br)ccc12 98178144 IBADFZNPMLMUBA-UHFFFAOYSA-N 303.159 3.797 0 40 DHAB c1ccc2oc([C@H]3CCCN(C[C@H]4CCCCO4)C3)nc2c1 106747896 PYEGMPUJZVMPGR-LSDHHAIUSA-N 300.402 3.576 0 40 DHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(F)c1 113951658 ABCCHKQTIRSCJU-MRXNPFEDSA-N 303.333 3.630 0 40 DHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113951901 SLWXHCPVXFBNLL-WCXIOVBPSA-N 301.430 3.766 0 40 DHAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)o3)N21 222651646 RSWOZDZCZVVNTK-APHBMKBZSA-N 313.426 3.962 0 40 DHAB CC[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1O)c1ccccc1 585122095 NKVFMQJYFINTOU-CYBMUJFWSA-N 324.302 3.687 0 40 DHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(F)cc1 131928 PGRVBPJCXNBWAV-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@H]1CCCO1 179798 HQCNNFGNOKEUSI-CYBMUJFWSA-N 322.817 3.505 0 40 DHAB O=C(Nc1ccon1)c1ccc(COc2ccc3c(c2)CCC3)o1 215021 LFHOYNMZUNPCQZ-UHFFFAOYSA-N 324.336 3.588 0 40 DHAB COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 311346 RGXANDYXQABUGE-UHFFFAOYSA-N 317.414 3.847 0 40 DHAB C[C@H]1C(=O)O[C@H](c2ccc(Cl)cc2Cl)C(C)(C)C1=O 351342 XQENWXGXIYCFMK-JMCQJSRRSA-N 301.169 3.823 0 40 DHAB COc1ccc(C)cc1NC(=O)Cc1cn(C)c2ccccc12 428544 KBFARIYFFNGEHB-UHFFFAOYSA-N 308.381 3.677 0 40 DHAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 516091 VCHVYLHEZQHZMT-UHFFFAOYSA-N 307.328 3.843 0 40 DHAB COc1ccc([C@@H]2OC[C@@]3(CO)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 519347 RJYHUHMMBLCXKJ-QYESJMSASA-N 302.414 3.594 0 40 DHAB biogenic Cc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2O)cc1 561001 UJGNWIPSFGVTSP-UHFFFAOYSA-N 320.344 3.894 0 40 DHAB CC(=O)Nc1ccc2c(c1)C(=O)c1cc(Br)ccc1-2 1580962 CKPVHGKLBSCMFU-UHFFFAOYSA-N 316.154 3.619 0 40 DHAB CCC(=O)N(CCN(C(=O)CC)c1ccccc1)c1ccccc1 2131973 PINYWZGZONPYHQ-UHFFFAOYSA-N 324.424 3.873 0 40 DHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1 2228211 XDRXQFQRSKWBFR-UHFFFAOYSA-N 316.763 3.933 0 40 DHAB O=C(Cc1ccccc1)c1ccc(I)cc1 2571688 PSBAJVHUNMQCIG-UHFFFAOYSA-N 322.145 3.717 0 40 DHAB S=C(NC[C@@H]1CCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 2642885 NCQQPRVVTMDYMC-INIZCTEOSA-N 324.449 3.723 0 40 DHAB S=C(NCCc1ccccc1)Nc1cccc2cnccc12 3231632 KMFSWUHRISKCRW-UHFFFAOYSA-N 307.422 3.764 0 40 DHAB CC(=O)c1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 3287977 WVGYEAHKWTUVOL-UHFFFAOYSA-N 313.328 3.630 0 40 DHAB CCc1cccc(CC)c1NC(=O)COc1cccc(F)c1 3446538 FBESRKHYHCOTCI-UHFFFAOYSA-N 301.361 3.968 0 40 DHAB O=C(NCc1cccs1)c1ccc(OCC(F)(F)F)cc1 4105584 VGMGXJQTEDCHMW-UHFFFAOYSA-N 315.316 3.619 0 40 DHAB Cc1cc2oc(Br)c(CC(=O)O)c2cc1Cl 4137163 QNKQAWMXJIVRNN-UHFFFAOYSA-N 303.539 3.784 0 40 DHAB COc1nc2cc(C)ccc2cc1-c1noc(-c2ccncc2)n1 4383827 WIDMWXYAWHVOMV-UHFFFAOYSA-N 318.336 3.664 0 40 DHAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\O 4603870 FQYKBNNKXYUQSC-MNDPQUGUSA-N 314.728 3.628 0 40 DHAB CC(C)[C@@H](C)NC(=O)CSC1=Nc2ccccc2CS1 5297472 CGVHYCHFYGCQNN-LLVKDONJSA-N 308.472 3.815 0 40 DHAB CC(=O)N1CCCc2cc(NC(=O)Oc3ccccc3)ccc21 5373767 PPEUOLUQKDLTPB-UHFFFAOYSA-N 310.353 3.597 0 40 DHAB O=C(NCc1cccnc1)c1ccc(OCc2ccccc2)cc1 5689577 PDWSNYZQBJOOJN-UHFFFAOYSA-N 318.376 3.591 0 40 DHAB CC(=O)N1CN(Cc2ccco2)Cc2c1sc1c2CCCC1 5817086 GJUYPVCKBYQNCI-UHFFFAOYSA-N 316.426 3.546 0 40 DHAB CCC[C@H](C)NC(=O)COC(=O)c1sc2ccccc2c1C 7567916 WJHKWLKDNKFGJC-NSHDSACASA-N 319.426 3.671 0 40 DHAB Fc1ccc(-c2ccc(CNn3cn[nH]c3=S)o2)cc1Cl 7602320 BSJIVVZBFXEZHA-UHFFFAOYSA-N 324.768 3.737 0 40 DHAB C[C@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1 7989492 AEFBRSWNIDKOCX-JTQLQIEISA-N 300.358 3.926 0 40 DHAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 8130992 MSDMIHCYDUTKMW-INIZCTEOSA-N 319.408 3.980 0 40 DHAB CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 9461430 FTXIVAYLVNNCLJ-UHFFFAOYSA-N 312.413 3.518 0 40 DHAB CCCCc1nnc2sc(COc3ccccc3Cl)nn12 11278192 QQAGAGPUHRPIHY-UHFFFAOYSA-N 322.821 3.761 0 40 DHAB CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 11922252 FRDSQLQBPRCKMC-UHFFFAOYSA-N 305.381 3.679 0 40 DHAB COc1ccc2[nH]c(=O)c(CNc3cccc(C)c3C)cc2c1 12493248 OHDYNABANHPLIW-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB C[C@@H](Sc1nncs1)C(=O)C12CC3CC(CC(C3)C1)C2 12622897 AQOCBHQERKSAFJ-XBVVOLJWSA-N 308.472 3.804 0 40 DHAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 12831145 YTQLDYZHCAODHX-UHFFFAOYSA-N 319.364 3.840 0 40 DHAB O=C(Nc1ncccc1OCc1ccccc1)c1cccs1 12935548 HWXPBPBIFDNFIH-UHFFFAOYSA-N 310.378 3.974 0 40 DHAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)O)c1 13166027 SHMYRILZTXTHBR-UHFFFAOYSA-N 315.394 3.565 0 40 DHAB Cc1cccc(NC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)n1 13720812 LRVDSYJQRNJCGB-UHFFFAOYSA-N 320.274 3.537 0 40 DHAB COc1ccc(NC(=O)CSC2=Nc3ccccc3C2)cc1 16217107 BIILNMYHZZZFKX-UHFFFAOYSA-N 312.394 3.653 0 40 DHAB Cc1c(C(=O)NCCc2ccco2)oc2c(Cl)cccc12 17703227 WLSFTMMIFXNUQH-UHFFFAOYSA-N 303.745 3.960 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1N 19230547 FVCYNSDKLMWPDA-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cc1n[nH]c(NCc2ccc(-c3ccc(C)c(Cl)c3)o2)n1 19796840 HYDITMUMWOQMCG-UHFFFAOYSA-N 302.765 3.947 0 40 DHAB CC[C@@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccccc1 20108416 KBUVABJKEAUHPS-MRXNPFEDSA-N 321.467 3.838 0 40 DHAB C[C@@H](SCc1ccccc1)C(=O)N1CCc2ccccc2C1 20238714 SAPSAAHTRLHVKR-OAHLLOKOSA-N 311.450 3.893 0 40 DHAB CC(=O)Nc1ccc(OCCOc2cccc(Cl)c2)cc1 20821015 DBWBJPNWRRXJJS-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB COc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cn1 27601284 UDGUQBTYHWKFRV-UHFFFAOYSA-N 321.380 3.703 0 40 DHAB O=C(NCc1ccc(Cl)cc1)c1ccn(C2CCCC2)n1 28576047 WPLZXZZRYHVEJB-UHFFFAOYSA-N 303.793 3.582 0 40 DHAB C[C@H](Sc1ccccc1)C(=O)NCCOc1ccc(F)cc1 30132593 VAIIFMMUFUZSLQ-ZDUSSCGKSA-N 319.401 3.502 0 40 DHAB O=C(CCC(=O)c1cccs1)Nc1cccc2cccnc12 32983128 CSUNULQAQIAQKT-UHFFFAOYSA-N 310.378 3.898 0 40 DHAB O=C(c1ccc(Br)cc1)[C@H]1CCc2occc2C1=O 35585945 OSGNVDXVAYENHQ-GFCCVEGCSA-N 319.154 3.670 0 40 DHAB CC(C)Oc1cccc([C@H]2CC(O)=Nc3nc(N)sc32)c1 36358362 ZMGTZUJJARSRAX-LLVKDONJSA-N 303.387 3.636 0 40 DHAB Cc1cc(C)cc(-c2nnc(NC(=O)c3cc(C)oc3C)o2)c1 36662977 SZRZGLSYTABBRC-UHFFFAOYSA-N 311.341 3.816 0 40 DHAB O=C1c2ccccc2[C@](O)(c2ccccc2)N1Cc1ccccc1 39436848 NYERHQCGKCBJPV-OAQYLSRUSA-N 315.372 3.536 0 40 DHAB FC(F)(F)c1cnc(NCCCOCC2CC2)c(Cl)c1 39982748 ZYMBCQVEJRTJHF-UHFFFAOYSA-N 308.731 3.982 0 40 DHAB CCOC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 40049530 NVXJNSIJVMBRGZ-WFASDCNBSA-N 304.390 3.564 0 40 DHAB CCOc1ccc(-c2noc(CN(C)Cc3ccccc3)n2)cc1 40063023 JEWLVCFEWQWZSU-UHFFFAOYSA-N 323.396 3.767 0 40 DHAB CC[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1OC 40090474 GUDQAZIUAJYLIJ-SMDDNHRTSA-N 316.228 3.846 0 40 DHAB Brc1ccc(O[C@@H]2CCNC2)c(-c2ccccc2)c1 42774912 FZADDFYCHGUDIM-CQSZACIVSA-N 318.214 3.857 0 40 DHAB CC[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)nc3)sc2C1 46784389 NIZGNHDZEKPDID-SECBINFHSA-N 321.833 3.959 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ccncc2)c1C 48196360 WWFUIMKWSUASKO-WMZOPIPTSA-N 324.424 3.829 0 40 DHAB Cc1noc(C)c1[C@@H]1SCC(O)=Nc2c1cnn2C(C)(C)C 49546488 ZNCXKQNYCQFDJB-CYBMUJFWSA-N 320.418 3.667 0 40 DHAB Cc1noc(C)c1CN(C)[C@@H](C)c1nnc(-c2ccccc2)o1 69486587 IXENYLZHKYRFRJ-LBPRGKRZSA-N 312.373 3.534 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)C[C@@H]1OCCc2sccc21 69617473 ZGTNEWGMQNUAIB-BBRMVZONSA-N 315.438 3.972 0 40 DHAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)C1CCCC1 69772203 RSVUMTNMUXMTFZ-AWEZNQCLSA-N 307.365 3.512 0 40 DHAB COc1ccc2c(ccn2CC(=O)Nc2cccc3[nH]ccc23)c1 70666587 OEMCYDNPXOUMJM-UHFFFAOYSA-N 319.364 3.770 0 40 DHAB biogenic COc1ccc([C@@H]2CCCN2C(=O)c2occc2C)cc1OC 71794346 LUAJISAYEXIILF-AWEZNQCLSA-N 315.369 3.583 0 40 DHAB Cc1noc(CN2CCC[C@H]2Cc2cccc3ccccc23)n1 71845378 ZSWPVJVOWQAUAS-KRWDZBQOSA-N 307.397 3.738 0 40 DHAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1)C1CCC1 72215484 QGODZYHMWNCJMK-HNNXBMFYSA-N 317.433 3.800 0 40 DHAB CC(=O)N1CCCC[C@H]1c1nc(C)cc(Oc2ccccc2)n1 72383520 ZGVNMCJVZOHXKA-INIZCTEOSA-N 311.385 3.651 0 40 DHAB COC[C@H](C)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 76070714 PEYCLENAMINRKV-LBPRGKRZSA-N 317.389 3.621 0 40 DHAB CC(C)c1ccccc1NC(=O)CNC(=O)/C=C/c1ccccc1 78629375 LEESYWDWEFDOIV-OUKQBFOZSA-N 322.408 3.578 0 40 DHAB CCC(=O)N1CC[C@@H](NCc2ccc3ccccc3c2)[C@@H](C)C1 78897190 WUUXTDPQBHAPPB-HNAYVOBHSA-N 310.441 3.576 0 40 DHAB CCC(CC)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 79361034 BODJALMZSGFOEX-IBGZPJMESA-N 301.839 3.593 0 40 DHAB CCOc1cc(-c2nc(-c3cccc(F)c3)n[nH]2)ccc1OC 85384971 YVOIKPCVHXGRLG-UHFFFAOYSA-N 313.332 3.685 0 40 DHAB CSC1(CN[C@@H]2CCCOc3cc(C)ccc32)CCOCC1 90113271 LYAYZAFAGWFWLF-MRXNPFEDSA-N 321.486 3.711 0 40 DHAB O=C(NC[C@H]1CCC[C@H]1O)N(c1ccccc1)c1ccccc1 96007713 UHTNTONQGBPWSW-CRAIPNDOSA-N 310.397 3.695 0 40 DHAB COc1ccc([C@H](N[C@@H]2C=CCCC2)C2CCOCC2)cc1 97230813 USFZEQPIOOKLGJ-MJGOQNOKSA-N 301.430 3.861 0 40 DHAB C[C@@]12CC3CC(C(=O)NCCN4CCCCC4)(C1)C[C@@](C)(C3)C2 100799505 FDCYMUCMJNOQSZ-RTRUNKLESA-N 318.505 3.585 0 40 DHAB C[C@H](NC(=O)Cc1cccc2cccnc12)[C@@H]1C[C@H]2CC[C@H]1C2 105665948 KRLZUYYLMTVSMN-DNUAJFIVSA-N 308.425 3.718 0 40 DHAB COc1cccc(CCCNC(=O)c2cc(C)c(C)cc2C)c1 225649078 IEVVNBZEEGRRSD-UHFFFAOYSA-N 311.425 3.983 0 40 DHAB O=C(Nc1cccc(Br)c1Cl)c1ccncc1 225783722 AWDIVRPZOAYPNH-UHFFFAOYSA-N 311.566 3.750 0 40 DHAB S=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)NC12CC3CC(CC(C3)C1)C2 254705430 ZKIRMNJOJCYFMQ-RLPDQUCXSA-N 318.530 3.856 0 40 DHAB COC(=O)c1cc(C)c(OC(=O)c2ccccc2Cl)c(C)c1 256052529 NSAOGNNDNKUOCT-UHFFFAOYSA-N 318.756 3.963 0 40 DHAB CCOc1cccc(NC(=O)c2n[nH]c3c2CCCCCC3)c1 257263996 LSKGOMQKSROJPH-UHFFFAOYSA-N 313.401 3.720 0 40 DHAB CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3cnc[nH]3)cc2C1 331858519 WOABKZZCAOWDDR-LBPRGKRZSA-N 317.458 3.552 0 40 DHAB O=C(O)[C@@H]1CCCCc2c1[nH]c1ccc(Br)cc21 575319672 VMDSCLATYQTGKP-SNVBAGLBSA-N 308.175 3.825 0 40 DHAB Cc1cc(C(=O)Nc2ccc3sc(C)nc3c2)nc(C2CC2)n1 1888890350 RDQAYDPMKUVLQX-UHFFFAOYSA-N 324.409 3.833 0 40 DHAB Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@@H]2C(C)C)cc1 244410 HRSUJLDSSMFIOV-RDJZCZTQSA-N 320.458 3.570 0 40 DHAB CCCN1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C 262606 LWVFZEKTMULTGS-INIZCTEOSA-N 310.825 3.869 0 40 DHAB Cc1cc(C)cc(C[C@@H](CC(=O)O)C(=O)Nc2ccccc2)c1 297074 IHNVKIUGXGRGDJ-INIZCTEOSA-N 311.381 3.576 0 40 DHAB O=C(COc1ccccc1)Nc1nc2c(F)cc(F)cc2s1 2714032 XJXKTHZNWOMWEU-UHFFFAOYSA-N 320.320 3.592 0 40 DHAB CCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 2844648 PXEBLRXMMZXMAM-GHRIWEEISA-N 307.349 3.820 0 40 DHAB O=C(COC(=O)c1c(F)cccc1Cl)c1ccccc1F 3228592 GBLMTQAFHVKBAJ-UHFFFAOYSA-N 310.683 3.658 0 40 DHAB CC(=O)Nc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 3242929 GYNWKLJLJTXFRV-OVCLIPMQSA-N 312.756 3.791 0 40 DHAB COc1ccccc1NC(=O)NCCCn1ccc2ccccc21 3342958 LWQFSVLVLSXYQO-UHFFFAOYSA-N 323.396 3.862 0 40 DHAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1 4279266 GZCKGJGAXVUCDU-WJDWOHSUSA-N 323.373 3.606 0 40 DHAB COc1ccc(-c2c(C)nn3c(Cl)cc(C)nc23)cc1OC 5242092 KJSQQRAYGDVNNP-UHFFFAOYSA-N 317.776 3.684 0 40 DHAB O=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1cccc(O)c1 5376191 RTSQMGLIRPHDIJ-NTOUICHMSA-N 313.334 3.782 0 40 DHAB CC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)cs1 5971780 ISYCPXCLOXQRHX-NSHDSACASA-N 306.456 3.817 0 40 DHAB Cc1cccc(/C=C/C(=O)OCc2nc(-c3ccccc3)no2)c1 6107252 JRZOQKVOKXLPIB-ZHACJKMWSA-N 320.348 3.802 0 40 DHAB O=C(CSc1ncccc1C(=O)O)c1ccc2ccccc2c1 6345410 IVLZFCSESPBVRZ-UHFFFAOYSA-N 323.373 3.908 0 40 DHAB Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1F 7116177 AVDLFCWFTALWKG-UHFFFAOYSA-N 307.752 3.596 0 40 DHAB O=S(=O)(Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 7402283 PXZCNRYZEBABTF-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB C[C@@H](O)CNCc1c(OCc2ccccc2)ccc2ccccc12 8535042 HQIIIXLJDAIIOS-MRXNPFEDSA-N 321.420 3.889 0 40 DHAB Clc1ccc(Cl)c(OCc2nnnn2-c2ccccc2)c1 8768758 NPWOXSDVPXUUNA-UHFFFAOYSA-N 321.167 3.548 0 40 DHAB CC(C)[C@H](C(=O)NCc1ccncc1)c1ccc(Cl)cc1 9322212 COMZZAPKAFOSHY-INIZCTEOSA-N 302.805 3.791 0 40 DHAB CN(C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 9970723 JXMIXOSOCIMCNA-ZCDKGFTFSA-N 323.521 3.843 0 40 DHAB CCC[C@H](NC(=O)c1cnc(SC)nc1)c1cccs1 12200238 BEZXJOZEFIZGBS-NSHDSACASA-N 307.444 3.531 0 40 DHAB COc1ccc(NC(=O)/C=C(\C)N[C@H]2CCCC[C@H]2C)cc1 12627573 OSTBZBOZKDCOFF-QGJNFCQMSA-N 302.418 3.706 0 40 DHAB CCc1ccc(-n2c(S)nnc2-c2ccccc2OC)cc1 13533879 BEXUYDJTHRESCB-UHFFFAOYSA-N 311.410 3.794 0 40 DHAB Cc1cc(CNC(=O)N[C@@H](C)CCc2ccccc2)ccc1F 14706752 MSLDRHPGNFKCPY-HNNXBMFYSA-N 314.404 3.955 0 40 DHAB Cc1ccc(CN2CCCN(c3ccc(C(=O)O)cc3)C2=O)cc1 15414059 FYDKBKJEKOAQIU-UHFFFAOYSA-N 324.380 3.526 0 40 DHAB Fc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 20661920 YFHXBMDXLIOYGG-UHFFFAOYSA-N 323.306 3.837 0 40 DHAB CC(=O)c1cccc(OS(=O)(=O)c2c(C)cc(C)cc2C)c1 21130473 MNAKJJVNEXOFDW-UHFFFAOYSA-N 318.394 3.582 0 40 DHAB COc1ccc(SCC(=O)NCCCc2ccccc2)cc1 22531643 NPWQTLOORQBPSV-UHFFFAOYSA-N 315.438 3.536 0 40 DHAB CC(=O)c1ccccc1NCC(=O)Nc1cccc(Cl)c1C 36802858 CSIJLJAOKCKAFW-UHFFFAOYSA-N 316.788 3.902 0 40 DHAB Cc1cc(CNC(=O)c2sc(C(C)C)nc2C)ccc1F 40093327 DHRYLUFFAFXBQU-UHFFFAOYSA-N 306.406 3.952 0 40 DHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c1 40473019 FMVPBPFTUROYQW-PBHICJAKSA-N 315.413 3.724 0 40 DHAB O=C(NCc1ccc(Br)cc1)c1cccc(F)c1 42418635 STSQBRAHDDNDHZ-UHFFFAOYSA-N 308.150 3.518 0 40 DHAB Cc1ccc(OCC(=O)Nc2cccc3nc(C)ccc23)cc1 44443013 ZTSACNVCCJTWDR-UHFFFAOYSA-N 306.365 3.869 0 40 DHAB Cc1cccc(CNC(=O)Nc2ccc3oc(C4CC4)nc3c2)n1 47506461 OOIMZVXTNOKDEW-UHFFFAOYSA-N 322.368 3.730 0 40 DHAB CCCOc1cc(C)ccc1NC(=O)N(C)Cc1cc(C)on1 47766501 KBKHGOCNRNKEGA-UHFFFAOYSA-N 317.389 3.744 0 40 DHAB O=C1c2ccccc2N[C@@H](/C=C/c2ccco2)N1CC(F)(F)F 48302527 WYTGUZVXNUCUMK-HSBSLETESA-N 322.286 3.749 0 40 DHAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 58009716 JSAOTFIQNYRVHD-GFCCVEGCSA-N 313.445 3.825 0 40 DHAB Cc1cc(C)c(NC(=O)NCc2ccc(C)n2C)c(Cl)c1 58026758 CDAYSEJIVAEODZ-UHFFFAOYSA-N 305.809 3.925 0 40 DHAB Cc1ccc(/C=C/C(=O)Nc2ccc3nc(N(C)C)ccc3c2)o1 58051568 YIJYLAJUTZRWEZ-DHZHZOJOSA-N 321.380 3.854 0 40 DHAB CCc1ccc(C(=O)Nc2cc(-c3nnco3)ccc2C)s1 58327033 UILWKVCBJTZOLL-UHFFFAOYSA-N 313.382 3.921 0 40 DHAB CCOc1ccc(CNC(=O)Nc2ccccc2)cc1OCC 59192518 MUUTZUDYJCCJNC-UHFFFAOYSA-N 314.385 3.806 0 40 DHAB CC(C)c1nc(CC(=O)N2CCC[C@H]2c2ccc[nH]2)cs1 65479256 SIBGSMCJSNMSHD-AWEZNQCLSA-N 303.431 3.501 0 40 DHAB CN1C(=O)c2ccccc2N[C@H]1c1cnc(C(C)(C)C)s1 67963399 CXTODYWPSHWIEG-CYBMUJFWSA-N 301.415 3.637 0 40 DHAB C[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)c1ccncc1 69666060 GYHZLMJWIIHMDP-CQSZACIVSA-N 301.434 3.897 0 40 DHAB Cc1ccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)o1 69771127 MNJMYAXEQRJNSS-CYBMUJFWSA-N 319.332 3.537 0 40 DHAB CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)ncn3C)cc1 70974172 YYJLNSBUYOSIHT-UHFFFAOYSA-N 324.380 3.681 0 40 DHAB COc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72211661 YVZMTBVFIYBOCC-MRXNPFEDSA-N 312.369 3.564 0 40 DHAB CCN(C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72212713 WEMDHWZDKUMCAB-AWEZNQCLSA-N 305.422 3.610 0 40 DHAB CCN(CC)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72212894 NHCDBCAYXFLACM-OAHLLOKOSA-N 319.449 4.000 0 40 DHAB Cc1nn(C)c(C)c1[C@@H](C)NCc1csc(C(C)(C)C)n1 78553094 BBCDLWFIFMYSLP-SNVBAGLBSA-N 306.479 3.642 0 40 DHAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1Cl 78896920 NMPUDUNWAMLGKL-IGCXYCKISA-N 320.864 3.638 0 40 DHAB Cc1ccc([C@@H]2CCCCN2C(=O)NC2CCC(O)CC2)cc1 78932868 QYIOCUVRSVFDTI-ABHNRTSZSA-N 316.445 3.535 0 40 DHAB C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccc(Br)c1 83705085 MRKCJPAPJDNYPQ-CZUORRHYSA-N 323.278 3.508 0 40 DHAB Nc1c(Cl)cc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1Cl 84422140 SZFIJRCVESPJND-MNOVXSKESA-N 322.195 3.713 0 40 DHAB O=C(CC[C@H]1CCCO1)Nc1nnc(CC2CCCCC2)s1 84543953 PAVWSGUQNGSALR-CYBMUJFWSA-N 323.462 3.559 0 40 DHAB Cc1ccc(-c2nc(Cn3c(Cl)cccc3=O)cs2)o1 95412835 FCXQPPXUEJHXDV-UHFFFAOYSA-N 306.774 3.575 0 40 DHAB FC(F)(F)c1ccc2oc(CSc3cnccn3)nc2c1 95425981 PQWOFJZPJLUMFD-UHFFFAOYSA-N 311.288 3.929 0 40 DHAB COC1(C)CN(C(=O)Nc2sc3ccccc3c2Cl)C1 95452938 ICONGKQNXCWMPA-UHFFFAOYSA-N 310.806 3.807 0 40 DHAB CCCOc1c(Cl)cc(C(=O)N2CC=CCC2)cc1OC 95995085 WFIAMLHTDRLEEF-UHFFFAOYSA-N 309.793 3.540 0 40 DHAB CC[C@@H](NC(=O)CCc1ccncc1)c1ccc(F)cc1F 96414564 FMFFEKJMEBEPPR-MRXNPFEDSA-N 304.340 3.560 0 40 DHAB CS[C@@H]1CC[C@H](NCc2c(C3CC3)nc3sccn23)C1 96494368 KZVRWVVVBBOMBH-NWDGAFQWSA-N 307.488 3.647 0 40 DHAB FC(F)(F)c1csc(CNc2cccc3c2OCCO3)n1 97020752 RVFQZVWNKIXKLT-UHFFFAOYSA-N 316.304 3.545 0 40 DHAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(CC(F)F)c1cccc(Cl)c1 107587748 YTGVVNMRSNJUSL-JHJVBQTASA-N 315.747 3.506 0 40 DHAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 148584422 POJYINMROHYYNX-UHFFFAOYSA-N 303.427 3.827 0 40 DHAB Nc1nnc(-c2ccc(OCc3ccc(F)cc3Cl)cc2)o1 216808270 LEPJELSTRFWLSX-UHFFFAOYSA-N 319.723 3.690 0 40 DHAB Cc1ccc(CCC(=O)N[C@H](C)COc2ccccc2)cc1C 223277270 WCJYBFOLWMXOIL-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB CCCCNC(=S)Nc1ccc(C(=O)OCC)c(Cl)c1 225374271 RDSBUZVPGUXKLT-UHFFFAOYSA-N 314.838 3.603 0 40 DHAB COc1ccc(Oc2ncccc2NCc2cn(C)nc2C)cc1 225479644 YEULZXDSKRTYBV-UHFFFAOYSA-N 324.384 3.537 0 40 DHAB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(OC)c(C)c1 225638618 CEPGKZRUGOJDRY-KRWDZBQOSA-N 313.397 3.893 0 40 DHAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cn1 225708887 VUCNQUZASFPCCN-CYBMUJFWSA-N 315.442 3.755 0 40 DHAB C[C@H](N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccsc1 247938436 CSCSLHMXLNLJSP-RVKKMQEKSA-N 315.486 3.704 0 40 DHAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 247943190 QIBHNDDMPBCRNN-RRFJBIMHSA-N 323.440 3.705 0 40 DHAB C[C@@H](NC(=O)CCCc1nccs1)C(C)(C)c1ccccc1 252485624 HAOJISNTJIVAAV-CQSZACIVSA-N 316.470 3.948 0 40 DHAB C[C@@H]1Cc2cc(CN3[C@H]4CC[C@H]3c3cccnc3C4)ccc2O1 253593858 AYJQRXUMHWDPRA-AZOIQLNYSA-N 306.409 3.667 0 40 DHAB CNc1cc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)ccn1 257329972 XMFWRSBLQGFABJ-KRWDZBQOSA-N 321.424 3.519 0 40 DHAB Cc1c[nH]c([C@@H]2CN(Cc3cc4ccccc4s3)CCO2)n1 257333593 YCFRQBXHLLHOSL-HNNXBMFYSA-N 313.426 3.506 0 40 DHAB COc1cccc(C(=O)NCC[C@@H]2CCc3ccccc3N2)c1C 662584461 OOSNWTSBWPQEGX-INIZCTEOSA-N 324.424 3.550 0 40 DHAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@@H]1CCCO1 179800 HQCNNFGNOKEUSI-ZDUSSCGKSA-N 322.817 3.505 0 40 DHAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1 421835 GFQOBDVRSFYXCB-UHFFFAOYSA-N 323.421 3.940 0 40 DHAB O=C1C[C@H](c2ccc(Cl)cc2)c2cc3c(cc2N1)OCCO3 816169 IQZXFHZMEGSEGE-GFCCVEGCSA-N 315.756 3.585 0 40 DHAB CCOC(=S)SCC(=O)c1ccc(Br)cc1 1743811 WCILALVNENAVPA-UHFFFAOYSA-N 319.245 3.686 0 40 DHAB O=C(Cc1ccccc1)NCCc1c[nH]c2ccc(Cl)cc12 2430346 KIIBQADTJDDAKX-UHFFFAOYSA-N 312.800 3.723 0 40 DHAB COc1ccc2c(c1)OC(=O)N[C@]2(c1ccccc1)C(F)(F)F 2618751 CKAPWEQEGZBLPR-HNNXBMFYSA-N 323.270 3.603 0 40 DHAB CCc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 3218096 YLZWFQIKXMBADU-UHFFFAOYSA-N 303.402 3.701 0 40 DHAB C[C@@H]1CN(C(=S)Nc2ccccc2)CCN1c1ccccc1 5423474 YKQGPJJZGWOABL-OAHLLOKOSA-N 311.454 3.594 0 40 DHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nccn1C 6381928 BEQRFJJYGDLPRH-HZSPNIEDSA-N 310.463 3.516 0 40 DHAB COc1ccc(CNC(=S)Nc2cccc3ncccc23)cc1 6831044 DGJWGYYMLUUSRW-UHFFFAOYSA-N 323.421 3.730 0 40 DHAB Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)s1 7905763 UYLCUVPYKAIOAV-UHFFFAOYSA-N 319.455 3.835 0 40 DHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)NC1CCCCC1 8556665 JFZGHRGOQJIKPY-UHFFFAOYSA-N 317.433 3.669 0 40 DHAB COc1ccc(Cl)cc1CC(=O)Nc1cccc(C(C)=O)c1 8943000 RRBAVYBGMUEGJH-UHFFFAOYSA-N 317.772 3.732 0 40 DHAB COC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CCC3)c1 8943427 GLIHLPSHDNGRLU-UHFFFAOYSA-N 315.394 3.584 0 40 DHAB S=C(NCc1ccccc1)c1ccc(Br)cc1 9188065 HSJKJVIZMJCMKV-UHFFFAOYSA-N 306.228 3.914 0 40 DHAB COc1cc(C(=O)N2CCCC2)ccc1OCc1ccccc1 9973950 CDDRBKJBJRNTRR-UHFFFAOYSA-N 311.381 3.510 0 40 DHAB CC(C)c1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1 9993091 IEJRXNZHPDHVFP-UHFFFAOYSA-N 302.418 3.588 0 40 DHAB CN(C)c1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 10323777 IDGQIXQYJAQLGV-UHFFFAOYSA-N 308.425 3.604 0 40 DHAB C[C@@H](NC(=O)c1cc(Br)ccc1O)c1ccccc1 11639366 WVEYOGNSXPJTNJ-SNVBAGLBSA-N 320.186 3.646 0 40 DHAB Fc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccncc2)cc1 12085368 VQWMKTDYCZUVSX-HHXXYDBFSA-N 312.388 3.653 0 40 DHAB CC(C)c1ccccc1OC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCO1 13331587 FHMSCWHMBGXZSC-GOEBONIOSA-N 319.445 3.651 0 40 DHAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1OC 13935016 CCIZJRJQLONBRY-GFCCVEGCSA-N 316.426 3.751 0 40 DHAB O=C(NCCCOCc1ccco1)Nc1cccc(Cl)c1 18179335 NCGKYGAYXSYRLM-UHFFFAOYSA-N 308.765 3.661 0 40 DHAB COc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1Cl 20564339 NNCRZZGONOMERZ-UHFFFAOYSA-N 312.152 3.960 0 40 DHAB Cc1cccc2nc(C(=O)N3CCC[C@H]3c3ccccc3)cn12 23008927 LQWQQSFMUKVRDB-KRWDZBQOSA-N 305.381 3.620 0 40 DHAB COc1ccc2nc(C(=O)Nc3nc(C)c(C)s3)ccc2c1 24883992 LDZIVXOXOWAHGY-UHFFFAOYSA-N 313.382 3.569 0 40 DHAB COc1cc(F)ccc1NC(=O)CCn1ccc2ccccc21 25311896 DLEHBCKMDHVPQN-UHFFFAOYSA-N 312.344 3.818 0 40 DHAB Cc1ccsc1CNC(=O)c1sccc1-n1cccc1 25721287 UXJBHHWGJNMOPP-UHFFFAOYSA-N 302.424 3.839 0 40 DHAB Cc1ccc(-c2c[n+](Cc3ccccc3F)c3n2CCC3)cc1 27753714 QHAWGDOFDLRYSJ-UHFFFAOYSA-N 307.392 3.885 0 40 DHAB CC(C)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27794246 QFMOHZMACGWPCM-UHFFFAOYSA-N 309.163 3.699 0 40 DHAB CCCn1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)n1 28239650 MZTSLTZTTSDNCX-HNNXBMFYSA-N 322.412 3.575 0 40 DHAB C[C@@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 32817850 SADVHINUYLUVNW-KRWDZBQOSA-N 318.420 3.940 0 40 DHAB CN(Cn1c(=O)oc2ccccc21)[C@H]1CCCc2ccccc21 32899418 FNMMJDOTOZJGBJ-INIZCTEOSA-N 308.381 3.561 0 40 DHAB CCc1noc(-c2cccc(NC(=O)c3ccccc3C)c2)n1 33012796 OQBZPLCOAZXWJT-UHFFFAOYSA-N 307.353 3.860 0 40 DHAB COc1cccc(NC(=O)OC(C)(C)C)c1C(=O)C(F)(F)F 36471809 NILAYBMYUJSRQH-UHFFFAOYSA-N 319.279 3.787 0 40 DHAB CCOC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 36879863 YOBUYOLZHTVNJV-UHFFFAOYSA-N 314.410 3.940 0 40 DHAB COc1ccc(CCC(=O)NC(C)(C)Cc2ccccc2)cc1 40621106 HGJJAEGFMUYCOJ-UHFFFAOYSA-N 311.425 3.765 0 40 DHAB C[C@H](NC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccn1 43181377 CFWUOMGJGFRYAB-SWLSCSKDSA-N 301.415 3.751 0 40 DHAB O=S(=O)(Cc1ccc(F)cc1)Cc1nc2ccccc2s1 44644183 HFNGAJNXQJBIQV-UHFFFAOYSA-N 321.398 3.550 0 40 DHAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccccn1 48366277 WZLMUSAHRCPOSM-HNNXBMFYSA-N 301.777 3.712 0 40 DHAB CC(=O)c1cccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)c1 49467987 UQGGAVZLOJMWIS-UHFFFAOYSA-N 322.343 3.811 0 40 DHAB CCCc1noc([C@H](C)Nc2ccc(NC(=O)OCC)cc2)n1 56158335 STVVLBNCPAMZHP-NSHDSACASA-N 318.377 3.764 0 40 DHAB CC[C@H](C)N(C)C(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1 58162659 OFQAWJCHMPWFTQ-AEZGRPFRSA-N 311.809 3.627 0 40 DHAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C(C)(C)C 58225224 RYINGEBIHYCGOQ-UHFFFAOYSA-N 317.408 3.653 0 40 DHAB Cc1cc(C(=O)Nc2ccc(NC3CCCCC3)cc2)n(C)n1 58230207 OEYDSPSLBGLZBZ-UHFFFAOYSA-N 312.417 3.725 0 40 DHAB CC(C)(C)c1ncc(NC(=O)c2ccc3ccccc3n2)cn1 58406788 PSJKCKXGWUYNOV-UHFFFAOYSA-N 306.369 3.575 0 40 DHAB Cc1cc(C)c(CNc2ccc(C(=O)NC3CC3)cn2)c(C)c1 63736319 ALVNTQRWERZECT-UHFFFAOYSA-N 309.413 3.511 0 40 DHAB CCc1ccccc1NC(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 69417864 ROVIZUNMWDHGJW-BEFAXECRSA-N 317.477 3.881 0 40 DHAB C[C@@H](NC(=O)c1ccsc1)c1nc(-c2cccnc2)cs1 75136647 ISQGGDJBVQBUTQ-SNVBAGLBSA-N 315.423 3.758 0 40 DHAB C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1ccncc1 89910275 YARWNZUQUFWRRT-CYBMUJFWSA-N 319.355 3.620 0 40 DHAB O=C(C[C@H](O)c1ccccc1)N[C@H]1CCc2c(Cl)cccc21 91172530 GHWUJDMZUVXOAH-IRXDYDNUSA-N 315.800 3.567 0 40 DHAB C[S@](=O)c1ccc(CN2CCC[C@@]3(CC=CCC3)C2)cc1 93439553 NFNSDAMWQCWVPB-GHTZIAJQSA-N 303.471 3.746 0 40 DHAB c1ncn(Cc2ccc(CN[C@H]3CCCc4sccc43)cc2)n1 95419768 DQCIZZWITCJFQV-KRWDZBQOSA-N 324.453 3.555 0 40 DHAB COc1ccc2cc(C(=O)C3=C(C(=O)O)CCCC3)ccc2c1 95634434 NBSIRIVWALLEQU-UHFFFAOYSA-N 310.349 3.986 0 40 DHAB O=C(Nc1cccc(N[C@H]2CCCOC2)c1)c1cccs1 95983177 CHFVRJPMKONKSE-AWEZNQCLSA-N 302.399 3.591 0 40 DHAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(C)n2)c(C)c1 96137169 WTGMDEDUYFSNTK-CMDGGOBGSA-N 316.426 3.728 0 40 DHAB N[C@H](CNC(=O)OCc1ccccc1)c1ccc2ccccc2c1 96295488 DWWDQIVHSPBXFK-LJQANCHMSA-N 320.392 3.766 0 40 DHAB c1ccc2c(CN3CCO[C@H](c4nccs4)C3)cccc2c1 97203933 AOXVWNVBGHQGIZ-KRWDZBQOSA-N 310.422 3.870 0 40 DHAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc(F)cc2F)CCC1 102743716 BHMQUYOYGAKDPO-ZDUSSCGKSA-N 318.283 3.583 0 40 DHAB O=C(NCCSc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104809933 MIQYUIYBGONIGV-HUBLWGQQSA-N 309.862 3.985 0 40 DHAB C[C@H](C[C@H](O)c1ccco1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 130304903 VMVTWQKWNLVPON-XQHKEYJVSA-N 305.340 3.802 0 40 DHAB CS[C@@H](C)CC(=O)N(Cc1ccccc1)c1ccncc1 183257236 ZWSWYDRONUWFLD-AWEZNQCLSA-N 300.427 3.756 0 40 DHAB COc1ccc(CCC(=O)c2ccc(OC)c(OC)c2)cc1 199729069 OJVJZFXVQFQTNR-UHFFFAOYSA-N 300.354 3.528 0 40 DHAB COc1ccc(C(=O)NCCSCc2ccccc2)cc1C 223096614 ZBEOTRGKGYNUSB-UHFFFAOYSA-N 315.438 3.667 0 40 DHAB COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C 223778380 RXRYGPIDRGVSRX-UHFFFAOYSA-N 323.314 3.952 0 40 DHAB COc1ccccc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225097625 YTJKRLWODCGAQI-IBGZPJMESA-N 322.360 3.923 0 40 DHAB Nc1ccc(NC(=O)/C=C/c2cccs2)c(Br)c1 227158015 KSHJGXGBYNRELO-GQCTYLIASA-N 323.215 3.745 0 40 DHAB Cc1ncsc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 331009784 MWCZXLFMKZMGAU-MRVWCRGKSA-N 310.463 3.867 0 40 DHAB CCn1cc(C(=O)Nc2c(C)cccc2C)c(=O)c2ccccc21 408713136 LKRVYDSTPJAVHA-UHFFFAOYSA-N 320.392 3.891 0 40 DHAB Brc1ccc([C@@H]2C[C@H]2CN2CCSCC2)cc1 575424331 ZFJMTEABFKBRAP-JSGCOSHPSA-N 312.276 3.601 0 40 DHAB O=C(CSCc1ccccc1)NCc1cncc(C2CC2)c1 575619111 GPIKLYQHDGLAMZ-UHFFFAOYSA-N 312.438 3.509 0 40 DHAB C[C@@H](C(=O)Nc1ccc2c(c1)SCC(=O)N2)c1ccsc1 1597549974 FXKMUTSHHFELQC-SECBINFHSA-N 318.423 3.535 0 40 DHAB O=C1O[C@@H](c2ccc(Br)cc2)O[C@@H]1c1ccccc1 64899 HXUYARVRVOCELX-HIFRSBDPSA-N 319.154 3.762 0 40 DHAB O=C(CSc1nc2ccccc2o1)Nc1cccc(F)c1 337416 BKUWZOPTTJSFCC-UHFFFAOYSA-N 302.330 3.698 0 40 DHAB O=C(Nc1ccccc1NC(=O)c1ccco1)c1ccccc1 411479 HKZJKVPJRCXGDZ-UHFFFAOYSA-N 306.321 3.784 0 40 DHAB CC(C)(C)C(=O)COc1ccc(NC(=O)c2ccccc2)cc1 992981 NENKVHRCTURHJE-UHFFFAOYSA-N 311.381 3.933 0 40 DHAB CCOC(=O)c1ccc(C(=O)CCc2cccc(F)c2)cc1 2517327 UGNOHMMEMPGHTM-UHFFFAOYSA-N 300.329 3.818 0 40 DHAB COc1ccccc1CNC(=O)c1cccc(Cl)c1Cl 3614968 RKQAUYFLIRTKSK-UHFFFAOYSA-N 310.180 3.932 0 40 DHAB CCCc1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 5258744 ZSUACPZCTXTOEL-BQFCYCMXSA-N 305.462 3.642 0 40 DHAB Cc1ccc(NC(=O)c2ccccc2F)cc1N1CCCC1=O 5440676 NQKICVYLCAYMQT-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB COc1ccc(C(=O)Oc2ccc(Cl)cc2C)cc1OC 5462630 HWBIWYKHAMWRJP-UHFFFAOYSA-N 306.745 3.885 0 40 DHAB Cc1ccccc1C1=Nn2c(nnc2-c2ccccc2C)SC1 5577348 FHERZSFLJIULDB-UHFFFAOYSA-N 320.421 3.920 0 40 DHAB CN(C)C[C@@H](CCC(=O)c1ccccc1)C(=O)c1ccccc1 6437109 JGWXFZSRRMKVOL-GOSISDBHSA-N 309.409 3.710 0 40 DHAB Cc1ccnc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 12545240 FCRPSENTFYPDJW-UHFFFAOYSA-N 316.360 3.873 0 40 DHAB O=S(=O)(Nc1cccc(F)c1)c1ccccc1C(F)(F)F 12761534 IHQKUEBIXPYUKI-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB Cc1ccc(F)cc1NCC(=O)N1CCSc2ccccc21 12761959 YEBQUQRKJABRAD-UHFFFAOYSA-N 316.401 3.685 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccc(F)cc1 12926811 KFODQYVMWONJDB-CQSZACIVSA-N 300.377 3.737 0 40 DHAB c1cc(-c2noc([C@@H]3CCN(CC4CCCCC4)C3)n2)ccn1 19405871 AATCIHJDOVYKNY-MRXNPFEDSA-N 312.417 3.501 0 40 DHAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1F)NCC2 19809032 VGIGLOVEJWYJPZ-IBGZPJMESA-N 315.388 3.858 0 40 DHAB CCCc1cc(C(=O)Nc2ccccc2C(=O)NC)sc1C 22978676 WZUBTVBQOACSLG-UHFFFAOYSA-N 316.426 3.621 0 40 DHAB O=C(/C=C/c1cccs1)Nc1cccc(Oc2cnccn2)c1 32029384 HMFQYJJJDRCKIA-VOTSOKGWSA-N 323.377 3.982 0 40 DHAB CCCCN(CC)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 32888298 XYVIXABKELPCLL-UHFFFAOYSA-N 305.809 3.992 0 40 DHAB COc1ccc(Oc2ncc(-c3ccc(C(=O)O)cc3)cn2)cc1 32918502 XVFFYEMDLKYLEY-UHFFFAOYSA-N 322.320 3.643 0 40 DHAB CCc1cc(C(=O)NCc2ccc(COC)cc2)sc1C 40074598 KIXGFOVSVIQPEL-UHFFFAOYSA-N 303.427 3.695 0 40 DHAB Cc1ccc(C(=O)C2CCN(C(=O)C3CCCC3)CC2)c(C)c1 40510905 UGSZRCFAJIFNKJ-UHFFFAOYSA-N 313.441 3.915 0 40 DHAB CC[C@H](C)c1noc(C2CCN(C(=O)c3cccs3)CC2)n1 41122045 WIWLNNNYPNRYDJ-NSHDSACASA-N 319.430 3.664 0 40 DHAB O=C(CSCCCc1ccccc1)NCc1ccc(F)cc1 46806653 WGGVCVXJJCDDRJ-UHFFFAOYSA-N 317.429 3.808 0 40 DHAB O=C(Nc1ncccc1O)c1cc2c(s1)-c1ccccc1OC2 48248326 GYAGBSWCNKXWJQ-UHFFFAOYSA-N 324.361 3.660 0 40 DHAB COc1ccc(CNCc2ccc(C)c(C)c2)c(OC)c1OC 48355079 JONUJZSXOVTXJY-UHFFFAOYSA-N 315.413 3.619 0 40 DHAB c1ccc(-c2nnc([C@H]3CCN(Cc4cccs4)C3)o2)cc1 49169364 MBQSPIVJKOCWOF-AWEZNQCLSA-N 311.410 3.788 0 40 DHAB biogenic,in-vitro Cc1nnc(CN2CCc3sccc3[C@@H]2c2ccccc2)o1 52685586 WUXUFBJXZFUBOG-KRWDZBQOSA-N 311.410 3.587 0 40 DHAB CC(C)Cn1nnnc1SCc1cccc(C(F)(F)F)c1 57887770 DGYIZQNVBOBVOA-UHFFFAOYSA-N 316.352 3.640 0 40 DHAB CC(C)=CC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 62640050 BPHODENJVANFTJ-UHFFFAOYSA-N 318.417 3.958 0 40 DHAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)C3CC3)C2(C)C)no1 67889838 UPXODUIYHFAWBO-CJNGLKHVSA-N 304.434 3.501 0 40 DHAB biogenic,in-vitro O=C(NCCc1coc(-c2ccc(F)cc2)n1)C1CCCCC1 69418858 WQYXDHPSDNJQLI-UHFFFAOYSA-N 316.376 3.720 0 40 DHAB FC(F)(F)Cn1ccnc1CN1CCC[C@H]1Cc1ccccc1 69591881 CGEZWSUBTDEMQH-HNNXBMFYSA-N 323.362 3.653 0 40 DHAB C[C@@H](NC(=O)CCN1CC[C@H](c2ccccc2)C1)c1ccccc1 69897099 HWDWPMVATXPVRF-XLIONFOSSA-N 322.452 3.743 0 40 DHAB O=C(NCc1ccccc1F)[C@H](c1ccccc1)n1cccc1 70636922 YTHNPCRTSDRHBU-SFHVURJKSA-N 308.356 3.533 0 40 DHAB C[C@@H]1C[C@@H]1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 71185108 UXVDTLNJHNRNOZ-DYVFJYSZSA-N 323.396 3.603 0 40 DHAB Cc1ccc2c(C)c(C(=O)N[C@H]3CCCc4c3cnn4C)oc2c1 71195580 OMZVKOIYTCVJAA-HNNXBMFYSA-N 323.396 3.591 0 40 DHAB O=C(NC1CCCCCCC1)C1=NO[C@H](c2ccccc2)C1 84525310 NHDYFAJTTMFEMZ-KRWDZBQOSA-N 300.402 3.733 0 40 DHAB C[C@H](CCc1cccc(F)c1)NCc1ccc([S@](C)=O)cc1 85324801 HXWZHCWGBBQQFJ-JLCFBVMHSA-N 319.445 3.674 0 40 DHAB CC(C)Nc1cccc(F)c1NS(=O)(=O)c1cccs1 89887742 LWRILKHOGVOWME-UHFFFAOYSA-N 314.407 3.508 0 40 DHAB CCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C)cs2)cc1 89991205 XDWHSMTUCZBJGB-LBPRGKRZSA-N 316.426 3.833 0 40 DHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccccn1 96118057 SXYAGJHCBIMRJH-OAHLLOKOSA-N 309.344 3.509 0 40 DHAB O=C(Nc1cnn(C(F)F)c1)c1cc(Cl)cc(Cl)c1 96999878 BEWGYAMFBIUQAD-UHFFFAOYSA-N 306.099 3.837 0 40 DHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1C[C@H]2C=C[C@H]1C2 101410557 WJYUQHBMPRWSSS-HTTKSJEASA-N 303.402 3.691 0 40 DHAB C[C@@H](NC(=O)COc1cccc(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 103075009 IQLFKLHHRFOXPQ-BRXULGCHSA-N 307.821 3.660 0 40 DHAB C[C@H](NC(=O)Cc1cccc2cccnc12)[C@H]1C[C@H]2CC[C@H]1C2 105665954 KRLZUYYLMTVSMN-ILXVDBEPSA-N 308.425 3.718 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Br)cc1 118311823 ATYDSIJHMSGNKM-RYUDHWBXSA-N 312.207 3.830 0 40 DHAB CC(C)n1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)cn1 191305420 JTDWWVINHXMTMA-NSHDSACASA-N 320.462 3.709 0 40 DHAB C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(Cl)cc1F 222903357 GSRSLBOCISBUEK-NSHDSACASA-N 303.764 3.999 0 40 DHAB CC(C)(C)c1ccc(-c2nnc(SCCCC(=O)O)[nH]2)cc1 224977714 PUQCRHNVZGXHKL-UHFFFAOYSA-N 319.430 3.726 0 40 DHAB Cc1cc(C)cc(CN2CCn3c(-c4ccco4)cnc3C2)c1 306143088 XTDNIGZPSHKNSR-UHFFFAOYSA-N 307.397 3.776 0 40 DHAB O=C(Cc1ccsc1)NCc1ccc(-c2cccs2)o1 575607798 CRRPRQODNCHVFI-UHFFFAOYSA-N 303.408 3.929 0 40 DHAB CS(C)(=O)=Nc1ccccc1NC(=O)c1ccoc1C1CC1 585124410 CGPRRXNECNBHLV-UHFFFAOYSA-N 318.398 3.768 0 40 DHAB CCc1ccc(NC(=O)/C=C/c2ccc(OC)cc2OC)cc1 147258 VXSJDLINFUFRLE-XYOKQWHBSA-N 311.381 3.918 0 40 DHAB Cc1cc(-c2cccs2)c2c(n1)sc1c(O)cc(=O)[nH]c12 497800 CIRSLVBSKGWHML-UHFFFAOYSA-N 314.391 3.880 0 40 DHAB COc1ccccc1CNC(=O)[C@H](C)SCc1ccccc1 566373 DNHAWHNCFHBVFM-AWEZNQCLSA-N 315.438 3.633 0 40 DHAB Cc1cccc(N(Cc2ccccc2Cl)S(C)(=O)=O)c1C 582130 AUURDHJPSDKCMC-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB O=S(c1cc(Cl)ccc1O)c1cc(Cl)ccc1O 1608799 RTKDHPNYIPCHSF-UHFFFAOYSA-N 303.166 3.571 0 40 DHAB CCCCn1cnc2c(SCc3ccccc3)nc(N)nc21 1675229 UQWUVNYHYZKQDJ-UHFFFAOYSA-N 313.430 3.501 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2cccs2)cc1Cl 3419713 JOJGYJLCOCOKNM-UHFFFAOYSA-N 308.834 3.780 0 40 DHAB O=C(Nc1ccc(C(=O)c2ccncc2)cc1)c1ccccc1 4525659 ISYHJEYTKKBUAL-UHFFFAOYSA-N 302.333 3.565 0 40 DHAB O=C(CNCc1ccco1)Nc1ccc(Oc2ccccc2)cc1 4904717 SURMTAAOKWZGFQ-UHFFFAOYSA-N 322.364 3.800 0 40 DHAB Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1 5169640 JZHPHMPARIHGIX-UHFFFAOYSA-N 311.316 3.745 0 40 DHAB Cc1cc(-n2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1 5208465 VNANIHZKQLKJBS-UHFFFAOYSA-N 309.760 3.544 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc2ccccc2c1 5528054 NXCMPCZBKQUWRK-FCEWJHQRSA-N 313.441 3.842 0 40 DHAB Cc1ccc(-c2n[nH]c(SCc3csc(C)n3)n2)cc1 5867504 HZGUDDHQJJSDFY-UHFFFAOYSA-N 302.428 3.837 0 40 DHAB Cc1ccc(-c2nnc(S[C@H](C)c3ccccc3)n2N)cc1 6510116 XUPPYWFGWFPOHN-CYBMUJFWSA-N 310.426 3.821 0 40 DHAB Cc1cccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c1 6811370 PSDQTFFHQAEKTP-UHFFFAOYSA-N 307.349 3.971 0 40 DHAB O=C1COc2ccc(-c3csc(-c4ccc(O)cc4)n3)cc2N1 8297561 HWOBQEQXDCBPGV-UHFFFAOYSA-N 324.361 3.514 0 40 DHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2[nH]cnc2c1 8753104 IIKRGPBBVLGLBM-UHFFFAOYSA-N 319.286 3.512 0 40 DHAB Cc1cc(C)n2cc(CN(C)[C@H]3CCCc4ccccc43)nc2n1 9516885 GQUVGQLONIBHFN-IBGZPJMESA-N 320.440 3.856 0 40 DHAB Cc1cccn2cc(COc3ccccc3Br)nc12 9862694 UJNAHRUWQPPLGH-UHFFFAOYSA-N 317.186 3.984 0 40 DHAB O=C(c1cccnc1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188061 DJTSBVRRRNDOBM-SFHVURJKSA-N 317.392 3.650 0 40 DHAB Cc1c(C)n(C[C@H](O)CNC2CCCC2)c2c(Cl)cccc12 12421923 GOGHZKVDZPUKCV-OAHLLOKOSA-N 320.864 3.805 0 40 DHAB Cc1cnc(NC(=O)CCc2ncc(-c3ccccc3)o2)s1 12817258 OIKAKAXHIXEOIV-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1Cc2ccccc2O1 13017628 ZORICWUQFYBJRB-AWEZNQCLSA-N 321.348 3.944 0 40 DHAB Cc1ccc2nc(C(=O)N3CCn4cccc4[C@H]3C(C)C)[nH]c2c1 13996232 SHGGCHLZZZGISD-QGZVFWFLSA-N 322.412 3.526 0 40 DHAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2)s1 14167272 QOUQHDBFYMKHOD-UHFFFAOYSA-N 314.454 3.582 0 40 DHAB O=C(Nc1cccnc1)c1ccc(C(=O)c2ccccc2)cc1 15436221 WUCFTBRVBMQIDI-UHFFFAOYSA-N 302.333 3.565 0 40 DHAB CCOc1cccc(CNC(=O)CCSc2ccccc2)c1 20043780 NTYLKXHFACNLHS-UHFFFAOYSA-N 315.438 3.884 0 40 DHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 22464582 XFEIEQPJDFXTFP-UHFFFAOYSA-N 322.408 3.792 0 40 DHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F 22636512 LHBNHAYVAAAZAC-UHFFFAOYSA-N 315.241 3.914 0 40 DHAB CC(C)c1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1 23996603 FGDOXWSBEQSRHR-UHFFFAOYSA-N 311.307 3.664 0 40 DHAB Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3ccccc3)c2C)cc1 24758296 MXCSLKIROBFXBI-HNNXBMFYSA-N 319.408 3.980 0 40 DHAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 27393027 RSVUNQQWZZPHKB-CQSZACIVSA-N 318.376 3.597 0 40 DHAB O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCC[C@H]1C(F)(F)F 27862802 GMKMABCDDIEAFN-HIFRSBDPSA-N 324.346 3.948 0 40 DHAB CC[C@@H]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 31681197 VYHRXYCYDPREHW-CYBMUJFWSA-N 315.442 3.797 0 40 DHAB CC1CCC(NC(=O)c2ccccc2OCc2ccncc2)CC1 32064146 UYMPOEPAZZLSDL-UHFFFAOYSA-N 324.424 3.969 0 40 DHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 33146355 DJIXOOVSHBOLFS-INIZCTEOSA-N 314.772 3.780 0 40 DHAB Clc1ccc(CNCCCOc2ccccn2)cc1Cl 35287338 JYAJMIDCKAZLAV-UHFFFAOYSA-N 311.212 3.947 0 40 DHAB CC(=O)N1CCCc2cc(C(=O)Nc3ccc(C)cc3)ccc21 35511693 IHMCJMFTOGNRNB-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB O=C(Nc1ccc(F)cc1)N1CCO[C@H](c2ccc(F)cc2)C1 45030393 OGONLIDWBGUGKN-INIZCTEOSA-N 318.323 3.570 0 40 DHAB Cc1nc(C)c([C@H](C)Nc2nccc(C(F)(F)F)n2)s1 48626047 XZMKAPUZOJCWJJ-ZETCQYMHSA-N 302.325 3.742 0 40 DHAB O=C(Cc1n[nH]c2ccccc12)N1CCC[C@H]1c1ccsc1 50580147 LMYGEVZVOJSKBY-INIZCTEOSA-N 311.410 3.531 0 40 DHAB CCN(CC)CCN(CC)Cc1c(C)oc2ccc(OC)cc12 51331093 FNKHLSBLOYRQSB-UHFFFAOYSA-N 318.461 3.914 0 40 DHAB CCCN1CCC(NC(=O)c2ccccc2SC(C)C)CC1 58367278 WTVGZQFMRSHUQO-UHFFFAOYSA-N 320.502 3.791 0 40 DHAB COc1cc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc(OC)c1 67662180 FCTAWZZUDMTBQC-LLVKDONJSA-N 318.373 3.796 0 40 DHAB CCn1ccc(NC(=O)c2cc(-c3cccs3)cs2)n1 72243204 DPWYFZSMJPFDHU-UHFFFAOYSA-N 303.412 3.945 0 40 DHAB O=C(NCc1cccc(Cl)c1)c1cn[nH]c1-c1cccs1 72329455 GMZJGUUKILGLBS-UHFFFAOYSA-N 317.801 3.722 0 40 DHAB COc1cc(C(=O)N[C@@H](C)c2ccccc2)nc2ccccc12 72329584 BLLVDVTVNRBOCV-ZDUSSCGKSA-N 306.365 3.734 0 40 DHAB CSCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 72708008 OLOCJQLDUPAKJE-UHFFFAOYSA-N 313.728 3.583 0 40 DHAB FC(F)(F)CCSc1nnc(C2CC2)n1Cc1ccco1 72970159 VZGZKFXNYGMDBS-UHFFFAOYSA-N 317.336 3.841 0 40 DHAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1cccs1 75172129 FZBSGFLQGXTCHD-UHFFFAOYSA-N 315.329 3.722 0 40 DHAB O=C(c1ccc(Cl)s1)N(C[C@H]1CCCO1)c1ccncc1 79310484 IHNRKWMWBLBMEP-GFCCVEGCSA-N 322.817 3.622 0 40 DHAB Fc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccn3)no2)cc1 89884661 OQDNUAFHHHXOCE-INIZCTEOSA-N 324.359 3.608 0 40 DHAB CCn1c(NC(=O)c2oc(C)nc2C)nc2cc(Cl)ccc21 92570559 VWTUVVASMHZRKA-UHFFFAOYSA-N 318.764 3.567 0 40 DHAB CC(C)(C)n1cc(N[C@@H](Cc2ccncc2)C(F)(F)F)cn1 97038617 ZCLICEWAJCMZHU-ZDUSSCGKSA-N 312.339 3.619 0 40 DHAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100742568 DAWKRZJWZRDNLA-GIPNMCIBSA-N 314.212 3.677 0 40 DHAB Cc1cccc(Cn2nccc2NC(=O)C2[C@H]3CCCC[C@H]23)c1 101408500 DHLQAOJPDSQHCT-HOTGVXAUSA-N 309.413 3.615 0 40 DHAB O=C(O[C@@H]1C[C@H]2CC[C@H]1C2)c1cc2cc(Cl)ccc2oc1=O 102598656 WFNNBYMHFRVTAR-AMJWSMQMSA-N 318.756 3.792 0 40 DHAB CS[C@@H](C)C(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 106088068 HIKANEAPRBBLDM-KBPBESRZSA-N 306.475 3.609 0 40 DHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113953947 IHLZCRDMLLYZEF-QHSBEEBCSA-N 307.821 3.802 0 40 DHAB C[C@H](Cc1ccccc1F)Nc1cccc(C[S@](C)=O)c1 188419771 XDUFWSVMFPTERI-ASSNKEHSSA-N 305.418 3.747 0 40 DHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSC1CCCC1 223298755 SNXAXAJGQGJLJG-QGZVFWFLSA-N 321.486 3.944 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 224608250 XNQNSYIODLLVLB-HNNXBMFYSA-N 313.397 3.856 0 40 DHAB CCCOCc1cc(C(=O)N2CCCCC2)ccc1OCC 224708660 VNMANJKCRYLCJC-UHFFFAOYSA-N 305.418 3.638 0 40 DHAB CCc1ccc(CC(=O)Nc2nnc(SC(C)C)s2)cc1 225094433 DOLNZYWFLNTYNY-UHFFFAOYSA-N 321.471 3.782 0 40 DHAB CCN(CC(=O)O)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 225455773 VBEYMNFPHSBQBQ-AWEZNQCLSA-N 313.397 3.830 0 40 DHAB Cc1ccc2oc(=O)c(C(=O)Nc3c(F)cccc3F)cc2c1 226036686 OBHSGVQMUGAJCI-UHFFFAOYSA-N 315.275 3.632 0 40 DHAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)Cc1ccccc1 226253795 IZKKRGVUWRCISQ-HNNXBMFYSA-N 323.440 3.829 0 40 DHAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)C(C)(C)C 226352260 HNYUBDWEMYDDJA-UHFFFAOYSA-N 301.342 3.938 0 40 DHAB O=C(CCc1cccs1)Nc1ccc2c(c1)CCCC(=O)N2 252487308 HUBBTRABKYWOSI-UHFFFAOYSA-N 314.410 3.594 0 40 DHAB CC(C)c1nc2ccccc2n1C1CN([C@H]2CCSC2)C1 1888853639 ZDQAKYNSAMRDNB-ZDUSSCGKSA-N 301.459 3.522 0 40 DHAB Cc1cnn(CC2CN(c3ccc4cc(Cl)ccc4n3)C2)c1 1889160466 WRWXKCDKBCYOHC-UHFFFAOYSA-N 312.804 3.530 0 40 DHAB c1ccc(C[C@@H]2COC(c3cccc(-c4ccccn4)n3)=N2)cc1 1987972962 UNRXCCBESBKEFZ-MRXNPFEDSA-N 315.376 3.532 0 40 DHAB COc1ccc(Cl)cc1NC(=O)c1ccc(NC(C)=O)cc1 369672 QRENZFAGLOQHRS-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)CC1=O 501601 DZGGDIZVBUXUFO-IUCAKERBSA-N 315.200 3.825 0 40 DHAB CC(=O)N1CCO[C@H]1c1sc(Cl)c(Cl)c1Cl 523300 AMCGHVKUKGHZLM-VIFPVBQESA-N 300.594 3.586 0 40 DHAB Cc1cccc(OCC(=O)Nc2ccccc2N2CCCC2)c1 569737 QWUHIXNJHOBJAD-UHFFFAOYSA-N 310.397 3.613 0 40 DHAB COc1ccc2c(c1)C=C(C(=O)Nc1cccc(Cl)c1)CO2 1391495 LMLAXVSKBZDEMS-UHFFFAOYSA-N 315.756 3.763 0 40 DHAB CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 1433422 SQJWZSZKXPYXAM-HNNXBMFYSA-N 319.401 3.519 0 40 DHAB COc1cc2cc(C)c(Br)c(OC)c2cc1OC 1671873 XKVWYYLGQIWEHO-UHFFFAOYSA-N 311.175 3.937 0 40 DHAB CCOCCCNCc1ccccc1OCc1ccccc1F 2178116 PLYJITDLXYZPLV-UHFFFAOYSA-N 317.404 3.921 0 40 DHAB CCn1ncc(-c2cc(C(F)F)c3c(C)nn(CC)c3n2)c1C 2732247 KGHRFFZLTSEGBV-UHFFFAOYSA-N 319.359 3.889 0 40 DHAB COc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 3148073 YZZLGIBTNUXKKJ-UHFFFAOYSA-N 312.369 3.542 0 40 DHAB CCOc1ccc(-c2nnc(S)n2-c2ccccc2F)cc1 3887382 LOAGSXQDALKPNJ-UHFFFAOYSA-N 315.373 3.761 0 40 DHAB CCC(=O)Nc1c2c(nn1-c1ccc(C)c(C)c1)CSC2 4224442 OUIOVKDMALMHOA-UHFFFAOYSA-N 301.415 3.584 0 40 DHAB CCc1ccc2nc(N(Cc3cccnc3)C(C)=O)sc2c1 4273205 KQCDONMIBCNESQ-UHFFFAOYSA-N 311.410 3.807 0 40 DHAB OC(c1ccccc1)(c1ccccc1)c1nc2ccccc2[nH]1 4494825 JGWSXCAXWPAUFN-UHFFFAOYSA-N 300.361 3.847 0 40 DHAB COc1cc(C=O)cc(Cl)c1OCCOc1cccc(C)c1 4502094 DEVWRIPZRVHULJ-UHFFFAOYSA-N 320.772 3.927 0 40 DHAB C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 4544090 CHNXZKVNWQUJIB-WSBLSWJJSA-N 312.453 3.883 0 40 DHAB Cc1ccc2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 5268267 SVSCQJJONFMUSJ-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB CCc1cc(OCC(=O)NCc2ccc(F)cc2)ccc1Cl 5342504 UKRPGSWTELXGJU-UHFFFAOYSA-N 321.779 3.737 0 40 DHAB CCn1c(C)cc(C(=O)COC(=O)c2cc3ccccc3[nH]2)c1C 5492270 FBIJYOBIQPZQIA-UHFFFAOYSA-N 324.380 3.646 0 40 DHAB CCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1C 5579099 SIZYAYFDCWDHHO-UHFFFAOYSA-N 305.399 3.503 0 40 DHAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccccn4)cc3c2C1 5689414 KJLXTCFCSJAXJY-ZDUSSCGKSA-N 319.408 3.618 0 40 DHAB Cc1cccc(NC(=S)NCCSCc2ccco2)c1 6335745 OKWFYFADIJTVBS-UHFFFAOYSA-N 306.456 3.808 0 40 DHAB COC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CCC2 6719931 IKNQQXCGWULGGG-UHFFFAOYSA-N 317.366 3.634 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1F 7491943 DKANRKVBQBTJIO-UHFFFAOYSA-N 312.344 3.513 0 40 DHAB CC[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1 8162996 PXFOOFMRYKVUTO-KRWDZBQOSA-N 321.376 3.983 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)s2)cc1 8168304 YPDIMPLHIPRAIH-UHFFFAOYSA-N 315.847 3.531 0 40 DHAB COCCNCc1cc(Cl)ccc1OCc1ccccc1F 8469131 JPBQEBMCDIESRU-UHFFFAOYSA-N 323.795 3.794 0 40 DHAB Cc1cccc(-c2nc(C(=O)O)nn2-c2ccc(C)c(C)c2)c1 8730853 CKDIRKFKKWOGEK-UHFFFAOYSA-N 307.353 3.558 0 40 DHAB CCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)cc1 9095391 HYPSJMVBIAMSJM-UHFFFAOYSA-N 319.426 3.609 0 40 DHAB Cc1ccc(-n2c(SC(C)C)nc3ccccc3c2=O)nc1 9368562 LCLKJNOQFVUGBQ-UHFFFAOYSA-N 311.410 3.590 0 40 DHAB O=C1CCc2c(OC(=O)c3nc(Cl)ccc3Cl)cccc21 11221084 SPULXJVJAOAQFR-UHFFFAOYSA-N 322.147 3.737 0 40 DHAB CCCc1cc([C@@H]2CCCCCN2C(=O)c2ccco2)no1 12185817 BUTSKJNXVNBYGL-HNNXBMFYSA-N 302.374 3.978 0 40 DHAB CCOc1cc2c(cc1NC(=O)c1ccc(C)cc1)O[C@@H](C)C2 12976107 KSYQXABLTPCCSN-ZDUSSCGKSA-N 311.381 3.969 0 40 DHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2ccccc21 13007870 DCKWQVFSLOVIME-YVEFUNNKSA-N 315.800 3.911 0 40 DHAB COc1ccc2cc(CNc3ccc4c(c3)CCC4)c(=O)[nH]c2c1 13561409 LUSCWJFNZWXENJ-UHFFFAOYSA-N 320.392 3.638 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2)cc1C 14215803 VDXHQBWYKJRLGA-CQSZACIVSA-N 301.361 3.699 0 40 DHAB CCOc1cc(/C=C/C(=O)Nc2ccc(C#N)cc2)ccc1OC 15576355 GSMZAGPSMBWMDG-YRNVUSSQSA-N 322.364 3.617 0 40 DHAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(F)cc1 17113061 HUUAZTSKKVMCTH-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB CCc1ccc([C@H](NC(=O)c2c(C)noc2C)C(C)C)cc1 17371201 MSBLVUYPCWVIAC-QGZVFWFLSA-N 300.402 3.981 0 40 DHAB COc1cccc(CNC(=S)Nc2ccc(C)c(C)c2)c1 18141440 CVKIKVZXRKPYFP-UHFFFAOYSA-N 300.427 3.799 0 40 DHAB O=S(=O)(Nc1cccc2c1CCCC2)c1cc(F)ccc1F 20627255 NAWGPYPODDLNCT-UHFFFAOYSA-N 323.364 3.644 0 40 DHAB Nc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Cl)c1 22000284 DUQYSTOFYBWCDV-ZETCQYMHSA-N 309.593 3.726 0 40 DHAB O=C(c1cnc2ccccc2n1)N1CCCSc2ccccc21 24759740 DTGCGHGLTPMTIR-UHFFFAOYSA-N 321.405 3.772 0 40 DHAB COc1ccccc1[C@@H](C)N(C)CC(=O)NC1CCCCCC1 26332996 JVERSMJILASAND-OAHLLOKOSA-N 318.461 3.527 0 40 DHAB Cc1cc(C)c2c(C)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)sc2n1 27885548 VJHJZKQMFWMFIT-STQMWFEESA-N 318.442 3.519 0 40 DHAB Cc1cc(NC(=O)c2ccc(C)s2)n(Cc2ccccc2)n1 28220101 XUUWKRQWFXJVJT-UHFFFAOYSA-N 311.410 3.862 0 40 DHAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(C)CC1 28243739 LNVDJRHYVQEWDI-UHFFFAOYSA-N 314.454 3.914 0 40 DHAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc2ccccc2[nH]1 29168754 GYRDJPQASNTHMO-UHFFFAOYSA-N 319.364 3.769 0 40 DHAB Cc1cccc(-c2nc(CC(=O)Nc3cc(C)ccc3C)no2)c1 35316246 DNKMSQGFYAPPCR-UHFFFAOYSA-N 321.380 3.843 0 40 DHAB O=C(NCc1ccco1)N[C@H]1CCSc2ccc(Cl)cc21 40012749 FSEUREODQBTNBU-ZDUSSCGKSA-N 322.817 3.969 0 40 DHAB CCOc1ccc([C@H]2CCCN2C(=O)c2scnc2C)cc1 40107408 WBDLZEWKGOZNES-OAHLLOKOSA-N 316.426 3.828 0 40 DHAB CC(C)c1nnc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)s1 40144038 JWSPTPFXSNVAEM-RKDXNWHRSA-N 321.368 3.969 0 40 DHAB Clc1ccccc1OCCSc1nnc2n1CCCCC2 40159035 XLSLBORHULUXIH-UHFFFAOYSA-N 323.849 3.829 0 40 DHAB Cc1ccc(C)c(OCCn2c([C@H](C)O)nc3ccccc32)c1 40224858 MEDLDUJXJMJXRX-HNNXBMFYSA-N 310.397 3.785 0 40 DHAB Cc1nc(C)c(C(=O)N(C)Cc2c(F)cccc2Cl)s1 48325791 HKMDUFCRFSRAJK-UHFFFAOYSA-N 312.797 3.825 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 49738622 DNFZMWNCSSFAND-CQSZACIVSA-N 323.371 3.722 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Nc2cccc(F)c2C)cc1 51354523 VIVAHERUIWIQGL-UHFFFAOYSA-N 301.321 3.737 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cc2noc3ccccc23)o1 53194083 MFBDQRRCKNMPIS-WFASDCNBSA-N 324.380 3.745 0 40 DHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)cc1 55667954 MJHUEIFOHPCHIG-UHFFFAOYSA-N 319.426 3.527 0 40 DHAB Cc1cccc2cc3c(nc12)OCCN(CCc1ccccc1)C3 57718832 SSWLYLKAQGDFGQ-UHFFFAOYSA-N 318.420 3.980 0 40 DHAB CCN(CCC(F)(F)F)C(=O)c1ccc(Br)cc1 58404854 CNNISESZCFQYJK-UHFFFAOYSA-N 324.140 3.864 0 40 DHAB CSc1nnc(CN2C(=O)c3cccc4cccc2c34)s1 63510404 QKGATVTVEDZDIR-UHFFFAOYSA-N 313.407 3.574 0 40 DHAB Cc1csc([C@H]2CN(Cc3ccc(Cl)s3)CCO2)n1 65464733 XQEWGBBLHWWGAP-LLVKDONJSA-N 314.863 3.740 0 40 DHAB Cn1c(CN[C@H]2CCCOc3ccccc32)nc2ccccc21 66991483 IPPQWAQHCXGPPI-HNNXBMFYSA-N 307.397 3.577 0 40 DHAB Cc1cc(C)c(CS(=O)(=O)Cc2ccc(F)cc2)c(C)c1 67224870 IUPBPAXDFVVECI-UHFFFAOYSA-N 306.402 3.866 0 40 DHAB Cc1cnc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)cn1 69950385 UNPYOGLONLUMKF-IBGZPJMESA-N 306.413 3.994 0 40 DHAB CCN(C[C@@H]1CCOC1)C(=O)c1cccc(OC2CCCC2)c1 71889018 IRUCQMSQFTUZNX-HNNXBMFYSA-N 317.429 3.507 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 72214632 VWRTVOACLNMJMR-HNNXBMFYSA-N 319.449 4.000 0 40 DHAB COc1cc(C)c([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72218045 FGFAOMLECUHDOA-CQSZACIVSA-N 306.406 3.861 0 40 DHAB CSc1ccsc1C(=O)Nc1cnc2onc(C)c2c1 75134303 HPPPHJIRLXPBHY-UHFFFAOYSA-N 305.384 3.567 0 40 DHAB C[C@H](c1cccc(O)c1)N(C)CCc1nc(-c2ccccc2)no1 77285102 XRUDUXCJBONNPF-CQSZACIVSA-N 323.396 3.678 0 40 DHAB CC[C@@H](Sc1nnc(N2CCOCC2)s1)c1ccccc1 78718271 PUAGSVHWRKFXGY-CYBMUJFWSA-N 321.471 3.618 0 40 DHAB Cc1ccc(NC(=O)c2ccc(NCc3ccccn3)nc2)cc1 79029330 QBDOCAGCTMWMKR-UHFFFAOYSA-N 318.380 3.649 0 40 DHAB O[C@@H]1CCCN(c2cc(-c3ccccc3)c3ccccc3n2)C1 82164541 KPBLWWBDVVXFFF-MRXNPFEDSA-N 304.393 3.863 0 40 DHAB CC(C)N(Cc1csc([C@@H]2CCCO2)n1)[C@@H]1CCCC[C@@H]1O 91074649 BODNXNGDKXODRO-PMPSAXMXSA-N 324.490 3.509 0 40 DHAB O=C(O)[C@H]1CCC(=O)N(CC2CCCCC2)[C@H]1c1ccccc1 96515692 UDKZQAXBWITURQ-WMZOPIPTSA-N 315.413 3.631 0 40 DHAB CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 97143236 BJEFDNDVORUICD-RBUKOAKNSA-N 323.392 3.539 0 40 DHAB O=C(Nc1cccc(CN[C@@H]2CCCSC2)c1)c1ccco1 97370892 TWLWEVPJAXPAEZ-OAHLLOKOSA-N 316.426 3.517 0 40 DHAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3C)C2=O)cc1 101275752 WYOYNECEKXXREV-GOSISDBHSA-N 322.408 3.610 0 40 DHAB CN(C(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(-c2ccccc2)nn1 101647861 GPGOYNOZMDTPCO-HUUCEWRRSA-N 307.397 3.543 0 40 DHAB O=C(Nc1ccc(Cl)cc1)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 104573476 OSVHMFGRCLKTFY-MQAIEQDTSA-N 305.805 3.610 0 40 DHAB Cc1nc2ccc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2nc1C 104819792 IUTJHJBPCCEXOB-AESZEHBQSA-N 323.440 3.801 0 40 DHAB CCN(CC)C(=O)c1ccc(Br)cc1C(F)(F)F 182867168 HQDJUUYXPROABQ-UHFFFAOYSA-N 324.140 3.950 0 40 DHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222769057 VFGXUPNSZOXNSK-OLZOCXBDSA-N 323.874 3.789 0 40 DHAB C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223225928 YWOGRDQOZXBXMA-HUUCEWRRSA-N 309.409 3.820 0 40 DHAB Cc1cccc(COC(=O)c2snnc2-c2ccccc2)c1 223834464 KUOJYQYICRMRSR-UHFFFAOYSA-N 310.378 3.871 0 40 DHAB O=C(NCc1cccc(CN2CCCCC2)c1)C1CCCCC1 224677827 WQFCVELXNVYOBX-UHFFFAOYSA-N 314.473 3.869 0 40 DHAB CC(C)C(=O)NCCSCc1c(Cl)cccc1Cl 225313474 MXCSDFQAKATSEK-UHFFFAOYSA-N 306.258 3.999 0 40 DHAB CO[C@H](CNC(=O)c1cc(C)cs1)c1ccc(Cl)s1 225700308 WTOTXOILXVSIKR-SECBINFHSA-N 315.847 3.889 0 40 DHAB COc1ccccc1OC[C@H](C)NC(=O)c1cc(C)ccc1C 225739690 NPFMLWXTTDWMQM-HNNXBMFYSA-N 313.397 3.509 0 40 DHAB CCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1C(F)(F)F 225790075 CUPUTDPAHIWMPI-AWEZNQCLSA-N 319.323 3.858 0 40 DHAB C[C@]12CC[C@@H]3[C@H](CC[C@]4(C)CC(=O)CC[C@]34C)[C@@]1(O)CCC2=O 253617185 BFCOSNMGHLCEIQ-NPYRMBCDSA-N 318.457 3.672 0 40 DHAB Cc1ncc2cncc(C3CCN(Cc4ccccc4F)CC3)n12 257210246 BTTZTUKWHDRGPJ-UHFFFAOYSA-N 324.403 3.556 0 40 DHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccsc1 390832034 WSQXPIKHLAMCNH-LBPRGKRZSA-N 319.407 3.533 0 40 DHAB CC(=O)N1CCC(Sc2cccc(Br)c2)CC1 585140331 CKCFRARVASVAHM-UHFFFAOYSA-N 314.248 3.552 0 40 DHAB Clc1ccc2ncc(-c3cc([C@H]4CCCNC4)ccn3)n2c1 2037838688 WGMWZDQQVRMBBN-ZDUSSCGKSA-N 312.804 3.517 0 40 DHAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)o1 870178 WJSYEJCHQYSPSN-UHFFFAOYSA-N 324.336 3.994 0 40 DHAB Cc1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1 1386019 UFHUANHJYWXTFY-UHFFFAOYSA-N 305.168 3.945 0 40 DHAB Cc1ccc(Nc2nc(N)nc(CSc3ccccc3)n2)cc1 1426167 BFACEWSDDYRYBF-UHFFFAOYSA-N 323.425 3.798 0 40 DHAB C[C@H]1CN(C2CCCCC2)C(=S)N(c2ccccc2)C1=O 2044815 MLIFUZZNOTYGEZ-ZDUSSCGKSA-N 302.443 3.589 0 40 DHAB Cc1ccc(OS(=O)(=O)c2cc(C)c(C)cc2C)c(C)c1 2182589 WERWKAVESLBABP-UHFFFAOYSA-N 304.411 3.996 0 40 DHAB O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc[nH]1 3335811 NAULDZIRDSLUGS-UHFFFAOYSA-N 319.360 3.645 0 40 DHAB Cc1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)cc1Cl 3388833 ATACXAPWMDVMRA-UHFFFAOYSA-N 320.795 3.858 0 40 DHAB Cc1ccc(C)c(SCc2cc(=O)n3ccsc3n2)c1 3523048 FKSYEOCZPSWUIO-UHFFFAOYSA-N 302.424 3.665 0 40 DHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 3611271 ARIALOABVQNDKE-UHFFFAOYSA-N 319.307 3.575 0 40 DHAB Cc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1C 4705288 RSFSMPFVJVYPBI-UHFFFAOYSA-N 302.418 3.972 0 40 DHAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl 5627911 NLVTVNHPBLMBTI-UHFFFAOYSA-N 317.751 3.776 0 40 DHAB Cc1ccc(-c2n[nH]c(SCC(=O)c3cccs3)n2)cc1 5868716 OEONRFPYNMIKJN-UHFFFAOYSA-N 315.423 3.817 0 40 DHAB CC(=O)Oc1c(-c2cnc3ccccc3n2)oc2ccccc12 6293943 ZOZISDGZTPTVMR-UHFFFAOYSA-N 304.305 3.968 0 40 DHAB CCSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 6549335 DTXODUYEFGIUMT-SECBINFHSA-N 308.472 3.715 0 40 DHAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)c1ccc(F)cc1 6916553 VQYXWWBRMAOZBU-NSHDSACASA-N 318.369 3.960 0 40 DHAB CCCSc1nnc(NC(=O)c2ccc(OCC)cc2)s1 7321783 CGQZGUQRSINMDV-UHFFFAOYSA-N 323.443 3.691 0 40 DHAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2ccccc2)n1 8917015 KQOMIFFKTUBMAV-UHFFFAOYSA-N 307.806 3.883 0 40 DHAB Cc1cccc2cc(-c3nc(-c4ccccc4)no3)c(=O)oc12 9431224 PKSJCBQQCIBKLK-UHFFFAOYSA-N 304.305 3.818 0 40 DHAB CCCCOc1ccc(S(=O)(=O)NCCC)c2ccccc12 11614147 CRRNLFGHOXBPQR-UHFFFAOYSA-N 321.442 3.707 0 40 DHAB CCCCN(CC)c1nc(Cl)nc2cc(OC)c(OC)cc12 11756875 AYWVVGOOZNAKGY-UHFFFAOYSA-N 323.824 3.927 0 40 DHAB CC[C@H](C)NC(=O)CSc1cc(C)c2cccc(OC)c2n1 11907549 UVGKVFJPIMSLAQ-LBPRGKRZSA-N 318.442 3.559 0 40 DHAB O=C(Nc1ccccc1)c1c[nH]c(=S)n1-c1ccc(F)cc1 12534107 YZRQZPKWHCWURT-UHFFFAOYSA-N 313.357 3.926 0 40 DHAB CC(C)NC(=O)CN(C)Cc1sc2ccccc2c1Cl 12890422 KIXUOIMZQPWVBX-UHFFFAOYSA-N 310.850 3.511 0 40 DHAB Cc1ccc(-c2noc(COC(=O)c3ccc(C)s3)n2)cc1 15275894 JMVNUUNYQYVMSU-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB COc1ccccc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 15670738 YUGNHOHEALMACI-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB CCCCOc1ccc(C(=O)NCc2csc(C)n2)cc1 15832200 XXHUFRLPGNPTEZ-UHFFFAOYSA-N 304.415 3.560 0 40 DHAB CN(C)c1ccc(C(=O)c2ccc(Br)cc2)s1 16186569 TZHDIKOOIFCGOS-UHFFFAOYSA-N 310.216 3.808 0 40 DHAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)c(C)c1 20461421 LWVBPDJNYGGLBT-CQSZACIVSA-N 321.417 3.623 0 40 DHAB Cc1ccc(-c2n[nH]c3c2cnc2cc4c(cc23)OCCO4)cc1 21017662 AXGSEUCXSXQCRZ-UHFFFAOYSA-N 317.348 3.858 0 40 DHAB Nc1nc2c(s1)[C@@H](c1ccc(Br)cc1)CC(O)=N2 32091766 BTZSFOYQUMDZBQ-MRVPVSSYSA-N 324.203 3.611 0 40 DHAB Cc1ccc2[nH]nc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 32814765 SDIUZRULUIWLIP-UHFFFAOYSA-N 309.413 3.570 0 40 DHAB Cc1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)n1 40051495 JESLAQYXJAFYGO-UHFFFAOYSA-N 308.425 3.875 0 40 DHAB COc1ccc([C@@H](O)c2cccc(Br)c2)cc1OC 40243570 KDCKUIMUXMCYFY-HNNXBMFYSA-N 323.186 3.548 0 40 DHAB CCN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1 40293397 TXGWACZIZOUMBM-UHFFFAOYSA-N 319.202 3.698 0 40 DHAB CC(C)Oc1ccc(CNC(=O)CCCc2ccccc2)cn1 48333733 VXYVAQUQZLZJCZ-UHFFFAOYSA-N 312.413 3.508 0 40 DHAB C[C@@H](NCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 57303446 IGDZQGSTRHSCND-OAHLLOKOSA-N 304.393 3.957 0 40 DHAB CC[C@H](C)NCc1ccccc1-c1ccc(S(C)(=O)=O)cc1 67910356 IDJLBFWWVPRIFO-AWEZNQCLSA-N 317.454 3.645 0 40 DHAB Cc1nc(-c2ccc(NC(=O)Cc3ccccc3O)cc2)oc1C 69558408 NXKPORRVENTROF-UHFFFAOYSA-N 322.364 3.845 0 40 DHAB CC(C)(C)c1cc(NC(=O)C2CCC2)n(Cc2ccccc2)n1 71846015 MVBABTIVPDYWLF-UHFFFAOYSA-N 311.429 3.968 0 40 DHAB CC(C)Oc1nnc(SC[C@@H]2OCCc3ccccc32)s1 71908495 JFCQUYPOCHWGMU-ZDUSSCGKSA-N 322.455 3.731 0 40 DHAB CCCCN(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 71909595 FKOXABOQFPSMAR-QFIPXVFZSA-N 324.490 3.998 0 40 DHAB C[C@@H](c1nc(-c2cccs2)no1)n1ccc(C(F)(F)F)n1 72920284 HNBMLAFMDRXZFD-ZETCQYMHSA-N 314.292 3.623 0 40 DHAB CSCC[C@@](C)(O)CNC(=O)Nc1ccc(C(C)(C)C)cc1 75157689 BIKZHDALTKGMKM-QGZVFWFLSA-N 324.490 3.610 0 40 DHAB C[C@H]1CCN(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)C1 75582034 XYHLIQAFSPWQTE-SYTKJHMZSA-N 316.401 3.831 0 40 DHAB Cc1csc(C2(NC(=O)/C=C/c3cscn3)CCCC2)n1 79033767 MFBKOLATPMCCEX-SNAWJCMRSA-N 319.455 3.507 0 40 DHAB Cn1ccc2c(C(=O)Nc3ccc(C(F)(F)F)nc3)cccc21 79478110 BLEOEBGFDJIVQL-UHFFFAOYSA-N 319.286 3.844 0 40 DHAB Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)cc1 80127819 CTMITDMDXVJUDP-DMZKTXOQSA-N 316.426 3.615 0 40 DHAB Nc1cccc(-c2nnc(COc3ccc(Cl)cc3)o2)c1 85386077 BCXJQUOPGVYJGJ-UHFFFAOYSA-N 301.733 3.551 0 40 DHAB c1cnc2nc(Sc3nnc(C4CCCCC4)o3)ccc2n1 95395425 BAHVDFLJIVNYEA-UHFFFAOYSA-N 313.386 3.607 0 40 DHAB CN(C)c1cccc(COC(=O)c2cccnc2C(F)(F)F)c1 97032079 CMDGVJBBQISTKC-UHFFFAOYSA-N 324.302 3.523 0 40 DHAB ClC1=C(Cl)[C@@]2(Cl)C[C@@]1(Cl)[C@@H]1[C@@H]3C[C@@H]([C@H]4O[C@H]34)[C@H]12 104223476 LIYPVKFEUBWTBI-CYTVQHLSSA-N 312.023 3.698 0 40 DHAB CCOc1cc(Br)c(C)c(Br)c1N 216876814 FVYDXPDWIRAODX-UHFFFAOYSA-N 309.001 3.501 0 40 DHAB CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225645334 JOIYOSKMQZXBHE-FZKQIMNGSA-N 305.418 3.926 0 40 DHAB CCc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Cl)cc1 227145037 RCNKJNJVVIZKHT-UHFFFAOYSA-N 318.804 3.811 0 40 DHAB O=C(Nc1c(F)cccc1F)c1ccnc(OC2CCCC2)c1 245093466 RORWMOUJAUCZNN-UHFFFAOYSA-N 318.323 3.934 0 40 DHAB C[C@@H]1C[C@H](OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)CC(C)(C)C1 245253799 FWSHCMODWGVIGW-ZKXLYKBJSA-N 311.510 3.842 0 40 DHAB COc1ccc2c(c1)[C@H](N[C@H]1C[C@H](C)O[C@H](C)C1)CCS2 248849188 PQWJKURQAPWBOT-OQMKEHIESA-N 307.459 3.778 0 40 DHAB C[C@H]1Cc2cc(Cl)cc(C(=O)NCc3ccccc3)c2O1 252503726 VGHKGUUHERPMBP-NSHDSACASA-N 301.773 3.593 0 40 DHAB Cc1noc(-c2cncnc2Nc2cccc(C(F)(F)F)c2)n1 253405043 RSGIUPQXRAQFAQ-UHFFFAOYSA-N 321.262 3.597 0 40 DHAB CCOc1ccc(Nc2nncn2-c2ccc(OCC)cc2)cc1 255188584 KMAPPBHGAISAEQ-UHFFFAOYSA-N 324.384 3.808 0 40 DHAB O=C(OC/C=C/COC(=O)C1CCCCC1)C1CCCCC1 255190715 YYUQXLITJUELAP-BQYQJAHWSA-N 308.418 3.790 0 40 DHAB CCCN1C(=O)N/C(=C/c2c(OCC)ccc3ccccc23)C1=O 409246847 FIEZFEAISNAQQT-FOWTUZBSSA-N 324.380 3.541 0 40 DHAB CCc1cc(N[C@@H](C)c2nnnn2-c2ccccc2)ccc1F 506660085 HZMNQWUHEQKVLK-LBPRGKRZSA-N 311.364 3.537 0 40 DHAB CCOc1ccc(CNc2cccc([S@](C)(=O)=NC)c2)cc1 585118526 SASCOUFFDKXZPM-QFIPXVFZSA-N 318.442 3.784 0 40 DHAB Cc1nc2c(NC(=O)N(Cc3ccncc3)C3CC3)cccc2o1 585141034 NTGRGCYUOOXONF-UHFFFAOYSA-N 322.368 3.728 0 40 DHAB O=C(/C=C/c1ccccc1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149118 YTHODYROPRQXJM-MBNRZODZSA-N 319.404 3.651 0 40 DHAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](CF)C1 881591117 HLNLKMJZMSYKKZ-GFCCVEGCSA-N 304.390 3.632 0 40 DHAB CCc1nnc(NC(=O)c2oc3ccc(C)cc3c2C)s1 352993 LGZSJARZOMAFJO-UHFFFAOYSA-N 301.371 3.716 0 40 DHAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)OCO2 530294 WPVCPNDYJFOTMA-UHFFFAOYSA-N 305.333 3.750 0 40 DHAB CCCc1nnc(NC(=O)c2csc3c2CC[C@@H](C)C3)s1 538245 TVGCHWDAQMOLPS-SECBINFHSA-N 321.471 3.929 0 40 DHAB COc1ccc(NC(=O)c2ccc(SC(C)C)nc2)cc1 1396773 BUBMOSBBSGEWRG-UHFFFAOYSA-N 302.399 3.843 0 40 DHAB Cc1cc(C)c(S(=O)(=O)c2cccc(Cl)c2)c(Cl)n1 1403024 VCAOKXODABUUIJ-UHFFFAOYSA-N 316.209 3.838 0 40 DHAB CSc1nc(Cl)nc2c1nc(SC)n2-c1ccccc1 1668440 ROYVRUTWKIXZRO-UHFFFAOYSA-N 322.846 3.913 0 40 DHAB COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1 1855528 GKCKRAPAMUQVKU-UHFFFAOYSA-N 306.405 3.676 0 40 DHAB O=C(Cc1cccc2ccccc12)NCCOc1ccccc1 2360238 NTNJYMZWBDPPKG-UHFFFAOYSA-N 305.377 3.578 0 40 DHAB Clc1cccc(OCc2ncn(-c3cccc(Cl)n3)n2)c1 3069987 CVTHDWWAZAJUCK-UHFFFAOYSA-N 321.167 3.548 0 40 DHAB CCc1cccc2c(C(=O)CSc3nnc(C)s3)c[nH]c12 5054109 WYRSVXFBVAEFCP-UHFFFAOYSA-N 317.439 3.865 0 40 DHAB CCCCC[C@@H]1c2c(cc(C)[nH]c2=O)O[C@@H](O)[C@@H]1CCCC 5385707 XYEMAWINWUXDNL-PMUMKWKESA-N 307.434 3.864 0 40 DHAB CC(C)(C)c1cc(=O)n2ncc(-c3ccc(Cl)cc3)c2[nH]1 5789574 DHVFHUKADBPXME-UHFFFAOYSA-N 301.777 3.641 0 40 DHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3)n2)cc1 6234021 ZMZXUXIJLUNGRV-UHFFFAOYSA-N 324.409 3.511 0 40 DHAB CCCC(=O)Nc1nnc(SCc2ccc(C)cc2)s1 7388238 JGINTEJUJARFOG-UHFFFAOYSA-N 307.444 3.877 0 40 DHAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cccnc1 9724213 WBQJLYQIZDBDHT-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 10329597 SWMWGOHOJPAEKC-INIZCTEOSA-N 320.795 3.512 0 40 DHAB C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]2(O)CC#N 11679310 AZFLJNIPTRTECV-LWYYNNOASA-N 311.425 3.837 0 40 DHAB biogenic Brc1cncc(-c2ccc(Br)nc2)c1 12359447 IMGBTSYZPFNIKJ-UHFFFAOYSA-N 313.980 3.669 0 40 DHAB CC(C)Cc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 13549677 TWCWVQWANRQJBO-UHFFFAOYSA-N 319.474 3.892 0 40 DHAB Cc1noc(C)c1COC(=O)Cc1c(C)nc2ccccc2c1C 21729175 DZJYCAXNDWEQQP-UHFFFAOYSA-N 324.380 3.742 0 40 DHAB C[C@H]1CN(Cc2c(-c3ccccc3)nc3ccccn23)C[C@H](C)O1 22240597 JBHOFYDBNXGZBK-HOTGVXAUSA-N 321.424 3.611 0 40 DHAB C[C@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 24263185 OFXMPMDHQPPXEK-OGQTVDGUSA-N 301.430 3.633 0 40 DHAB Cc1ccc2[nH]c(C)c(CC(=O)N[C@H](C)c3ccncc3)c2c1 24541975 MZUKBBMHMOPDNT-CYBMUJFWSA-N 307.397 3.600 0 40 DHAB O=C(N[C@@H]1CCOc2ccccc21)c1cc2c(s1)CCCC2 24646456 HVENXDMDYWMLOK-CQSZACIVSA-N 313.422 3.881 0 40 DHAB CCCCNC(=O)Nc1c(C)nn(Cc2cccc(F)c2)c1C 27922297 WCZGHLVYHAJXCH-UHFFFAOYSA-N 318.396 3.609 0 40 DHAB CCc1nc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)sc1C 44732462 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COc1ccc(C)c2c(Nc3ccc(C(=O)O)cc3)ccnc12 78401532 ZOJPIYJOFNVYQS-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB CC(C)(C)OC(=O)N1CCC[C@H](CSc2ccccn2)C1 79440867 MCMIWNRZIRETHM-ZDUSSCGKSA-N 308.447 3.821 0 40 DHAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 80344744 YACJHPDKODYZNK-CVEARBPZSA-N 309.365 3.508 0 40 DHAB O=C(c1ccco1)N1CCC(CSCc2ccco2)CC1 85472444 KHNKAQLCTOCECT-UHFFFAOYSA-N 305.399 3.658 0 40 DHAB Cc1[nH]ncc1CCCN[C@@H]1CC2(CCC2)Oc2ccccc21 95420039 BLFFUGCBSITANI-QGZVFWFLSA-N 311.429 3.687 0 40 DHAB CCOC(=O)CCCOc1ccc(Cl)cc1Br 95738561 XLSPKOPCVNKVRC-UHFFFAOYSA-N 321.598 3.825 0 40 DHAB Cn1cnc(-c2cccc(NC3CC(c4ccccc4)C3)c2)n1 96009189 BNBUKYKLLUCNTF-UHFFFAOYSA-N 304.397 3.840 0 40 DHAB CC(C)=CC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 96456103 ZKIKETRNWQOJII-KRWDZBQOSA-N 315.804 3.644 0 40 DHAB COCCSc1ccc([C@@H](C)NC(=O)NC2CC=CC2)cc1 96469914 TZRUETRJSRAALE-CYBMUJFWSA-N 320.458 3.504 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 96685788 STGVEHPUFOEULU-INIZCTEOSA-N 322.408 3.603 0 40 DHAB COc1cccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2Cc2ccccn2)c1 100112350 YBKLQPLDFPGHIL-MDYRTPRTSA-N 324.424 3.522 0 40 DHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCC2CCCCC2)CC1 100809754 IRDRDVLZZPOHHG-IYBDPMFKSA-N 310.482 3.992 0 40 DHAB COc1ccc(Cl)cc1Nc1c(N)oc(=O)c2ccccc12 101426132 BWAZIELSUCVKHN-UHFFFAOYSA-N 316.744 3.781 0 40 DHAB C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C 103009284 RZMBLUKFSHCXDI-XJKCOSOUSA-N 321.392 3.912 0 40 DHAB COc1cc(Br)c2[nH]c(Cc3ccccc3)nc2c1 216912261 HRLSTRXIXGXWBJ-UHFFFAOYSA-N 317.186 3.925 0 40 DHAB Cc1cccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222556829 XAPLNVBISUDYAE-JQFCIGGWSA-N 309.438 3.979 0 40 DHAB Cc1ccc(CC(=O)NCCOc2cccc3ccccc23)cc1 223549626 FZZKICPROHVPPJ-UHFFFAOYSA-N 319.404 3.886 0 40 DHAB Cc1ccc(OCCNC(=O)NC2CCCCC2)cc1Cl 224194610 MBAOHQZSIXPXTM-UHFFFAOYSA-N 310.825 3.659 0 40 DHAB CCn1ncnc1CS[C@H](C)c1ccc(OC(F)F)cc1 225590945 RVYIJBXIHZNAQT-SNVBAGLBSA-N 313.373 3.894 0 40 DHAB C[C@@H](c1ccccc1)N(C)C(=O)c1ncccc1OCC(F)F 225733083 YINPDNCSKXCHSU-LBPRGKRZSA-N 320.339 3.559 0 40 DHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)nc1 225886599 AIDDAICLFPNEIP-KRWDZBQOSA-N 308.422 3.794 0 40 DHAB NNc1nc2c(Cl)cc(NC(=O)c3cccs3)cc2s1 226311314 BAPVJUFUXASPSH-UHFFFAOYSA-N 324.818 3.549 0 40 DHAB CCN(CC)C(=O)N1N=C(c2ccco2)C[C@H]1c1ccsc1 226783059 SGEIHSKUUWOXAH-AWEZNQCLSA-N 317.414 3.954 0 40 DHAB Cc1c[nH]c([C@@H]2COCCN2Cc2cc3ccccc3s2)n1 257230333 GBTZSNHMBZNPIV-HNNXBMFYSA-N 313.426 3.506 0 40 DHAB c1ccc(CN[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 306142886 XNFUIDIACPOEKM-IBGZPJMESA-N 315.420 3.791 0 40 DHAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3)nn2)cc1C 408527441 FMPMBSNKZLRQKP-UHFFFAOYSA-N 304.349 3.980 0 40 DHAB O[C@@H](CNc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 808071511 BWFIHCVEFHTJNC-ZDUSSCGKSA-N 322.286 3.992 0 40 DHAB CCOC(=O)c1c(NC(=O)C2CCCC2)sc(C(C)=O)c1C 92268 WNLNBVZLQRQTDU-UHFFFAOYSA-N 323.414 3.565 0 40 DHAB CCOC(=O)[C@@H]1C=C(c2ccccc2)C=CN=C1N(CC)CC 343274 VHBIZFWKROPEBX-QGZVFWFLSA-N 312.413 3.517 0 40 DHAB Cc1ccc(NC(=O)c2ccccc2Br)cc1O 364357 GWETYQIOLRPHKT-UHFFFAOYSA-N 306.159 3.715 0 40 DHAB C[C@]12C[C@@H](NC(=O)N1c1cc(F)ccc1F)c1ccccc1O2 422981 OFCJRBVQXGKLMM-DYVFJYSZSA-N 316.307 3.734 0 40 DHAB CN(C)c1ncc2c(n1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O 538218 FQVIVDHLNNQSOM-AWEZNQCLSA-N 323.440 3.753 0 40 DHAB CCCC[C@@H](S[C@@](CC)(C(C)=O)c1ccccc1)C(N)=O 1705166 SCPUGINXZWJRNA-WBVHZDCISA-N 307.459 3.658 0 40 DHAB C[C@H](C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 2032941 YQVMVCCFZCMYQB-SNVBAGLBSA-N 321.735 3.599 0 40 DHAB in-vitro CC(C)n1cnc2c(NCc3ccccc3)nc(Cl)nc21 2568285 NSQQTIIWZCVMRW-UHFFFAOYSA-N 301.781 3.673 0 40 DHAB COc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 2644753 QVJNNYNIDSVNCA-LLVKDONJSA-N 305.761 3.755 0 40 DHAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C 2759826 FCRCZGRMJDGCBJ-UHFFFAOYSA-N 307.353 3.773 0 40 DHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 3326791 RWTGIHCINVIKHO-IUODEOHRSA-N 324.380 3.542 0 40 DHAB COc1cc(OC)nc(C(c2ccccc2)c2ccccc2)n1 4241017 YYKORXFIRGQXRT-UHFFFAOYSA-N 306.365 3.674 0 40 DHAB Cc1noc(C)c1C(=O)OCc1csc(-c2ccccc2)n1 5195685 HLFNJXKNUKMDCS-UHFFFAOYSA-N 314.366 3.772 0 40 DHAB O=C(O[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc2cc(Cl)ccc2oc1=O 6243398 WFNNBYMHFRVTAR-FEUHOPSXSA-N 318.756 3.792 0 40 DHAB O=C(OCCOc1ccccc1F)C12CC3CC(CC(C3)C1)C2 6528780 MOWKOIOFJJAARV-UHFFFAOYSA-N 318.388 3.964 0 40 DHAB Clc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1 6829156 MYCRVDSOUBRMEL-UHFFFAOYSA-N 300.701 3.786 0 40 DHAB CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1 9185563 POJJAFJYLNMWOH-UHFFFAOYSA-N 324.380 3.562 0 40 DHAB COc1ccccc1-c1cc(O)n(-c2ccc(Cl)cc2)n1 9937326 SSURINNMHZOUIQ-UHFFFAOYSA-N 300.745 3.907 0 40 DHAB O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccccc2)[nH]n1 10192391 KVKZSLGNTPRRKM-UHFFFAOYSA-N 324.409 3.664 0 40 DHAB CC(=O)c1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 11211528 PCUUTLWVBDVRRM-FQEVSTJZSA-N 323.392 3.536 0 40 DHAB O=C(Nc1ccc2cn[nH]c2c1)c1ncoc1-c1cccs1 12221848 DPRXGTXEMUBSKN-UHFFFAOYSA-N 310.338 3.532 0 40 DHAB Cc1ccc(-c2cc(CNC(=O)Cc3cccs3)no2)cc1 12235606 YUXDGQGKYABRIV-UHFFFAOYSA-N 312.394 3.570 0 40 DHAB CC1CCC(NC(=O)c2ccc(OC(F)(F)F)cc2)CC1 12806963 AZOSXMOYUZIJLZ-UHFFFAOYSA-N 301.308 3.894 0 40 DHAB CCc1ccc([C@H](Nc2ccc(C)c(F)c2)P(=O)(O)O)cc1 12950457 SBYOUUJPSAZUSM-MRXNPFEDSA-N 323.304 3.985 0 40 DHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCCCC1 13686678 CVXZGNIAUFZBQV-ZDUSSCGKSA-N 302.418 3.734 0 40 DHAB Cc1ccc(NC(=S)Nc2ccc(C(N)=O)cc2)cc1Cl 13798520 ZNZVQYUEEOUUBA-UHFFFAOYSA-N 319.817 3.556 0 40 DHAB C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 15583737 TWSKQCXDZOILGU-PIGZYNQJSA-N 316.351 3.569 0 40 DHAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 15583743 TWSKQCXDZOILGU-DIFFPNOSSA-N 316.351 3.569 0 40 DHAB CC(C)(C)c1nnc(Nc2ccc(Cl)c(Cl)c2)[nH]c1=O 16776972 OPDVCUBEXQHKOA-UHFFFAOYSA-N 313.188 3.513 0 40 DHAB C[C@@H](NC(=O)NCCc1ccccc1)c1ccccc1Cl 17115779 HIVHGMUYSFVSMT-CYBMUJFWSA-N 302.805 3.943 0 40 DHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1ccccc1 19356657 OLKJTCQSZBRBDC-UHFFFAOYSA-N 319.360 3.891 0 40 DHAB CC(C)COCCCNCc1cccc(Br)c1 20147148 VJVXTSZRYTXHBF-UHFFFAOYSA-N 300.240 3.601 0 40 DHAB CCCCNC(=O)c1sc(N(C)c2ccccc2)nc1C 22237606 KRGMLSAWHIEKSH-UHFFFAOYSA-N 303.431 3.749 0 40 DHAB C/C=C/C=C/C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24560179 QULIGULHFWUHLY-PIXMASICSA-N 321.424 3.557 0 40 DHAB O=C(CC[C@H]1CCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1 32818002 VZPNFGOYLHKMFJ-MRXNPFEDSA-N 324.424 3.743 0 40 DHAB O=C(CCc1ccccc1Cl)Nc1ccc2c(c1)OCCO2 35982563 VMSLLBLLOWDGCH-UHFFFAOYSA-N 317.772 3.683 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 36398735 DFPCUBSLWAHWGF-MELADBBJSA-N 320.458 3.795 0 40 DHAB CC(C)[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1cccs1 37031197 FHQXRTLBKQJZHF-RHSMWYFYSA-N 302.443 3.652 0 40 DHAB CCOCc1ccccc1CNC(=O)c1ccc(Cl)cc1F 40072062 UVEQBZMCOLHRHT-UHFFFAOYSA-N 321.779 3.946 0 40 DHAB Cc1ccc(NCc2nc(C3CC3)no2)c(Br)c1 48657309 VDQXWQQQYLBDAA-UHFFFAOYSA-N 308.179 3.630 0 40 DHAB O=C(O)c1cnc(-c2ccccc2F)nc1Nc1ccccc1 49469635 YBPUOQNXLMBZLA-UHFFFAOYSA-N 309.300 3.725 0 40 DHAB Cc1ccccc1-c1noc(COc2nncc3ccccc23)n1 49873977 PGZRPJOPCBUDMC-UHFFFAOYSA-N 318.336 3.567 0 40 DHAB CCCOc1cc(C)ccc1NC(=O)CC(C)(C)CC(=O)O 55150523 KHZUJRRSIDZOJA-UHFFFAOYSA-N 307.390 3.613 0 40 DHAB CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2)c1 58160069 DTMCRDYHTUVPJB-KBPBESRZSA-N 310.397 3.567 0 40 DHAB Cc1ccc(-n2nnnc2S[C@H](C)c2cccnc2)c(C)c1 58291699 AHWFIMXUKRPFRB-CYBMUJFWSA-N 311.414 3.527 0 40 DHAB O=C(NCc1csc2ccccc12)c1c[nH]c2ncccc12 65781330 NKQAISNRGRMVLI-UHFFFAOYSA-N 307.378 3.708 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccc(F)cc1 65875198 MVDIVOBMJBJYMC-RZXPCSSPSA-N 313.372 3.731 0 40 DHAB COc1ccc(-c2nnc(SC3CCCC3)o2)cc1OC 72066513 WSJQGNSMYZUHDC-UHFFFAOYSA-N 306.387 3.789 0 40 DHAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2)cn1 72214840 PKGGCXVBIPODIH-AWEZNQCLSA-N 305.422 3.656 0 40 DHAB Fc1ccc(OCCn2nc(C3CC3)nc2C2CC2)c(Cl)c1 93888466 NUTDZTFBPQYCDU-UHFFFAOYSA-N 321.783 3.904 0 40 DHAB CC[C@@H](C(=O)NC[C@H](OC)c1ccsc1)c1ccccc1 96097382 PEPMGOGILRITFG-CVEARBPZSA-N 303.427 3.746 0 40 DHAB Cn1cc(CNc2cnn(CC(F)F)c2)c(C2CCCCC2)n1 97106899 XULQXLCMNNUFAO-UHFFFAOYSA-N 323.391 3.542 0 40 DHAB CC(=O)Nc1ccc(C)cc1OCc1ccn(-c2ccccc2)n1 103720209 MOLBWEIPUXEQAU-UHFFFAOYSA-N 321.380 3.718 0 40 DHAB Cc1ncc(C(=O)N(CC(F)F)c2ccc(F)cc2)s1 193857648 VKLPXGDWECBPFL-UHFFFAOYSA-N 300.305 3.503 0 40 DHAB CN(C(=O)c1cc2ccccc2cc1N)c1ccc2c(c1)CCO2 195542494 DTPIMPINPZGOAB-UHFFFAOYSA-N 318.376 3.634 0 40 DHAB COc1cc(Br)cc(SC)c1Br 209812364 WRECEHQGYBWLJI-UHFFFAOYSA-N 312.026 3.942 0 40 DHAB CCCOC(=O)c1ccc(Nc2cccc(C(C)=O)c2)c(N)c1 225435482 HRNZFMPKQDVXAC-UHFFFAOYSA-N 312.369 3.782 0 40 DHAB CCOC(=O)c1cc(NC(=O)C(C)(C)C)ccc1OCC(C)C 225785203 LACOXKIGOAMGDN-UHFFFAOYSA-N 321.417 3.883 0 40 DHAB CCN(C(=O)c1cc(Cc2ccccc2)[nH]n1)c1ccc(F)cc1 566575059 PPLYTUFHSRJNOR-UHFFFAOYSA-N 323.371 3.806 0 40 DHAB CC[C@@H]1C[C@H](CC(=O)Nc2ccccc2-c2ncco2)CCO1 585126250 UDHIWHCTQMBIGH-ZIAGYGMSSA-N 314.385 3.875 0 40 DHAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCN(C(C)C)C2)n1 1615526375 XQNBYFYJBCYUNT-CYBMUJFWSA-N 317.462 3.573 0 40 DHAB CC(C)(C)c1nc2ccccc2n1C1CN(Cc2cccnc2)C1 1889152064 NYTQERQKIRNMSI-UHFFFAOYSA-N 320.440 3.786 0 40 DHAB CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 117807 WSSHAFHLMJMFEG-SNVBAGLBSA-N 309.431 3.788 0 40 DHAB COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 483780 SIFCXMSKWPCIKK-UHFFFAOYSA-N 319.382 3.649 0 40 DHAB O=C(O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 526440 HRUJGXJWRAYFQA-UHFFFAOYSA-N 309.365 3.835 0 40 DHAB CCOC(=O)[C@H](Cc1ccc(C)cc1)c1nc2ccccc2[nH]1 528630 IVOOWSZICKTYOE-OAHLLOKOSA-N 308.381 3.761 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(F)cc2)cc1 1260941 CTVRFGGMXWPOFK-SFHVURJKSA-N 321.355 3.915 0 40 DHAB CC[C@H](C)CN1CCc2c(c3c(c(OC)c2OC)CCC3)C1 1567207 SHQNLVNFWJVLHR-ZDUSSCGKSA-N 303.446 3.597 0 40 DHAB CCCOc1c(Br)cc(Br)cc1C=O 2759921 PVQDISBTCKQRMH-UHFFFAOYSA-N 321.996 3.813 0 40 DHAB Cc1cc(C)c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c(C)c1 3194185 CITKQVBWORSVBS-HKUYNNGSSA-N 313.441 3.702 0 40 DHAB COc1ccccc1CNC(=O)/C=C/c1ccc(SC)cc1 3614760 NVKXEYCSOWOOBK-FMIVXFBMSA-N 313.422 3.747 0 40 DHAB Cc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)SCC(O)=N2 3652475 TUQALYJVDBQXKO-CYBMUJFWSA-N 307.806 3.806 0 40 DHAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H]1CCCC[C@H]1C 4283598 HBAONALTHRGNPK-ABAIWWIYSA-N 323.820 3.616 0 40 DHAB COC(=O)Cc1c(Br)oc2cc(C)c(Cl)cc12 5245336 QXNMBVWSSCLSOS-UHFFFAOYSA-N 317.566 3.873 0 40 DHAB CC(=O)c1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1 6342694 LEXNZQIMDPIMBJ-UHFFFAOYSA-N 309.152 3.843 0 40 DHAB CCn1c(CNc2cccc(C(F)(F)F)c2)n[nH]c1=S 6519963 ARDIEIQTVFBRKF-UHFFFAOYSA-N 302.325 3.591 0 40 DHAB Cc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1 7193023 HKQPYYZTBISOFU-SECBINFHSA-N 317.439 4.000 0 40 DHAB COc1cc(-c2csc(NC3CC3)n2)ccc1OC(F)F 7274655 KGLYUIKKNFFZJC-UHFFFAOYSA-N 312.341 3.994 0 40 DHAB COc1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1F 7361080 OQRIIQJLDPTXRB-UHFFFAOYSA-N 323.389 3.759 0 40 DHAB Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C 7831026 YAJFYNLPFAVKEV-UHFFFAOYSA-N 319.408 3.761 0 40 DHAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3O)n[nH]2)c1 12474962 IWSAKXPWZMTTBY-UHFFFAOYSA-N 307.353 3.651 0 40 DHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1F 12814344 MIZASSXOVDUJDT-UHFFFAOYSA-N 310.328 3.970 0 40 DHAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 12916555 ORJPWXVADONRQL-NSHDSACASA-N 314.335 3.866 0 40 DHAB CCCCC(=O)N[C@H](C)c1nc(-c2ccccc2Cl)no1 13494860 FCCHCQMTYPQLII-SNVBAGLBSA-N 307.781 3.757 0 40 DHAB Cc1ccc(C)c(CSc2ccc(NC(=O)C3CC3)nn2)c1 13701977 OYXGVWRGFKFMTH-UHFFFAOYSA-N 313.426 3.734 0 40 DHAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC 14388552 KOYDBNSZADSEHP-LLVKDONJSA-N 319.788 3.848 0 40 DHAB Cc1occc1C(=O)OCc1nc2ccccc2n1C(F)F 14902909 UEFRSXDLASIIOR-UHFFFAOYSA-N 306.268 3.690 0 40 DHAB COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cn1 15617337 PQDDSKOAOQZUOY-UHFFFAOYSA-N 321.380 3.703 0 40 DHAB COc1ccccc1OS(=O)(=O)c1c(C)c(C)cc(C)c1C 16090347 XMMDOTFIJPIIHS-UHFFFAOYSA-N 320.410 3.697 0 40 DHAB O=C(C1CCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19405467 ZNRZGTUVAIYTPE-KRWDZBQOSA-N 324.428 3.716 0 40 DHAB CCOc1cc(CNCCc2cccc(F)c2)ccc1OC 19721061 HPPBMTGPGGCUEP-UHFFFAOYSA-N 303.377 3.565 0 40 DHAB CCc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1 19842346 OWELGTCZVOEWNG-UHFFFAOYSA-N 308.469 3.875 0 40 DHAB O=C(NCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1 21695629 PRGAKGKQTBPPPS-UHFFFAOYSA-N 303.764 3.827 0 40 DHAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3)no2)cc1 21786624 BMXDPBVYQIENBN-UHFFFAOYSA-N 308.337 3.993 0 40 DHAB C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)O[C@H](C)C1 23016451 WBWROZJWISAZMY-UTUOFQBUSA-N 309.360 3.602 0 40 DHAB O=C(NOCc1ccccc1)c1cc2cc(Cl)ccc2[nH]1 25039810 NVGJGOKXPJYBFE-UHFFFAOYSA-N 300.745 3.683 0 40 DHAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(C)cc2)C2CC2)c1C 25292952 OOIJBJYUMRCPMM-UHFFFAOYSA-N 324.424 3.947 0 40 DHAB CC(=O)Nc1ccc(N[C@H](C)c2nc(C(C)(C)C)no2)cc1C 26994491 OBHDHFXGPFLAQJ-LLVKDONJSA-N 316.405 3.807 0 40 DHAB O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccncc1 27277726 DSZXRVCXKNPTIJ-GFCCVEGCSA-N 322.195 3.761 0 40 DHAB CC[C@H](C)NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1 32151653 UBAVCJFBMHUILC-PPYMECGQSA-N 310.397 3.589 0 40 DHAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cc2ccccc2o1 32768704 DRDDIPIERAKJBZ-XIKOKIGWSA-N 307.349 3.614 0 40 DHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN(C(C)C)C(C)C 35052956 FVWVHROWEIKEIH-ZSYWTGECSA-N 313.526 3.944 0 40 DHAB C[C@H](NC(=O)CN(C)[C@H](C)c1ccccc1)c1cccs1 35262626 QTXCCJLRZSRDRE-UONOGXRCSA-N 302.443 3.618 0 40 DHAB Cc1cc(Nc2ccc3c(c2)OCO3)n2c(n1)nc1ccccc12 35314622 BBLUAKZBQUBEHS-UHFFFAOYSA-N 318.336 3.663 0 40 DHAB CCc1ccc([C@H](C)NC(=O)c2cccc(OC)c2OC)cc1 36623410 QIXVNTFHWPRFLR-ZDUSSCGKSA-N 313.397 3.757 0 40 DHAB Nc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C(=O)O)c1 37289652 BCPOJFSAJHNXHB-UHFFFAOYSA-N 312.152 3.853 0 40 DHAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCOc2ccccc2)o1 40012192 BYKAEDFNNPXLPM-PBHICJAKSA-N 313.397 3.531 0 40 DHAB Cc1nc2ccccc2n1CC(=O)N[C@@H](c1ccccc1)C1CC1 42080415 LBCSSMVFWAEKTG-FQEVSTJZSA-N 319.408 3.612 0 40 DHAB C[C@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)CCC2 53387932 CBWLUNXWZWBIQU-ZDUSSCGKSA-N 313.372 3.571 0 40 DHAB Nc1nc(CN2CC=C(c3ccccc3)CC2)nc2ccccc12 53778808 IVRFCIACMVXUAC-UHFFFAOYSA-N 316.408 3.501 0 40 DHAB CCOc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 57897315 FTRUKHHQRQPJNB-QLFBSQMISA-N 304.434 3.675 0 40 DHAB Cc1ccc(S(=O)(=O)CCc2ccccc2Cl)cc1C 58264506 QXOPSKXBSPDYJK-UHFFFAOYSA-N 308.830 3.973 0 40 DHAB O=C(CCn1ccc2ccccc21)NCc1cc2ccccc2[nH]1 58902338 MJDHXHXAJWWDAJ-UHFFFAOYSA-N 317.392 3.829 0 40 DHAB COC[C@H](c1ccccn1)N(C)C(=O)c1cccc2cc(C)oc12 67654593 JOBXZDICJWMZHG-QGZVFWFLSA-N 324.380 3.596 0 40 DHAB Cc1nc(C(=O)N2CCCCC[C@H]2c2ccncc2)cs1 69354316 KLCUOZYJLKVPKO-HNNXBMFYSA-N 301.415 3.604 0 40 DHAB COc1ccc(C)cc1NC(=O)c1c(C)nc2ccc(C)cn12 71459300 DUIHGAZHTGFWSD-UHFFFAOYSA-N 309.369 3.520 0 40 DHAB CCC1(CC)CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 72281717 WPPNLXNGEAZEMF-UHFFFAOYSA-N 313.319 3.771 0 40 DHAB C[C@@H](CC(=O)NCC[C@@H](O)c1ccccc1)C1CCCCC1 72303078 RXSWPEMAVGZALA-MAUKXSAKSA-N 303.446 3.833 0 40 DHAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1nc(C(C)=O)cs1 74236714 XMJAPBYGDSXXQW-SUHUHFCYSA-N 324.446 3.658 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 80344747 YACJHPDKODYZNK-JKSUJKDBSA-N 309.365 3.508 0 40 DHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2nnc(C3CC3)s2)s1 89656440 BUTJRPHMCHOHGY-ZJUUUORDSA-N 305.428 3.528 0 40 DHAB CCOc1ncccc1CN[C@H](C)c1cnc2ccsc2c1 89988830 FTDRLTCPGBTYHZ-GFCCVEGCSA-N 313.426 3.941 0 40 DHAB Cc1nn(C)cc1[C@@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 90090103 QYWAAXOUMYDHBM-GFCCVEGCSA-N 301.438 3.938 0 40 DHAB CO[C@@H](C)c1cccc(NCc2ccc([S@](C)=O)cc2)c1 95428991 WIIDWTREUDMRSH-YEJXKQKISA-N 303.427 3.744 0 40 DHAB C[C@H](C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)C1CCOCC1 95439498 USJQZWLCFZVUCQ-NWDGAFQWSA-N 324.490 3.681 0 40 DHAB Clc1cc2ccccc2c(N2CC[C@H](N3CCCC3)C2)n1 96844794 DXEOKBWEUNPAQG-AWEZNQCLSA-N 301.821 3.563 0 40 DHAB C[C@@H](CCn1cncn1)NCc1ccc(Oc2ccccc2)cc1 97012289 HXCANJCBUOZXQR-INIZCTEOSA-N 322.412 3.639 0 40 DHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccccc1Cl)CC2=O 100868394 AUHVLWTWBCLNGO-QZTJIDSGSA-N 319.832 3.742 0 40 DHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213925 SCHKXYRFWOUKFL-LERJKICOSA-N 323.521 3.842 0 40 DHAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O 101275390 BGXIRLHCDFLHJE-SFHVURJKSA-N 322.408 3.610 0 40 DHAB CC1=CC[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 101547185 IXVJAVXCXHVDAV-GHMZBOCLSA-N 310.180 3.839 0 40 DHAB C[C@H](NC(=O)c1ccc2ncsc2c1)[C@H]1C[C@H]2CC[C@H]1C2 102203870 NHYRPZHPNZYKLN-ZJQBRPOHSA-N 300.427 3.851 0 40 DHAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)sc(C)c1C 102309886 NIDJQJVDRZXUDS-AVGNSLFASA-N 319.426 3.692 0 40 DHAB Cc1ccc([C@H](C)NC(=O)CN(C)[C@H](C)C(C)(C)C)cc1C 109022580 NXNUNTBCTJCGTI-JKSUJKDBSA-N 304.478 3.847 0 40 DHAB CC(C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 113948907 YPRCJOCFXFSPLY-UHFFFAOYSA-N 315.438 3.996 0 40 DHAB Cc1ccc2oc(CCC(=O)NC[C@@H](C)c3ccccc3)nc2c1 224947007 CIVQJZUPINASHB-OAHLLOKOSA-N 322.408 3.989 0 40 DHAB COCc1cccc(NC(=O)CCc2nc3cc(C)ccc3o2)c1 224947735 GGRJEGDIHPAMOT-UHFFFAOYSA-N 324.380 3.854 0 40 DHAB Cc1ccc(CC(=O)NCCc2ccc(Cl)cc2)c(C)c1 225095006 BDPACPHHISKMBK-UHFFFAOYSA-N 301.817 3.858 0 40 DHAB O=C(CCc1c(Cl)cccc1Cl)NCc1cccnc1 225347794 ALUQXPRPLRGPEA-UHFFFAOYSA-N 309.196 3.637 0 40 DHAB C[C@H](CCc1ccccc1)Nc1ccc(C(=O)NC2CC2)cc1N 225449347 ZJGUEAZUQJLFLH-CQSZACIVSA-N 323.440 3.594 0 40 DHAB COc1ccc([C@@H](C)NC(=O)Cc2cccc(Cl)c2)cc1 225705680 DFBDQVQSPMDGBS-GFCCVEGCSA-N 303.789 3.769 0 40 DHAB CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2N)CC1 226265827 KUJKZCSDWGFRNB-UHFFFAOYSA-N 309.413 3.757 0 40 DHAB Cc1cc(N)ccc1-c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 226301619 ZVJIJEWTGLDSKP-STQMWFEESA-N 312.413 3.955 0 40 DHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260743715 QDGHNKMRLFRVHL-ILXVDBEPSA-N 313.441 3.638 0 40 DHAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(CF)CC1 296472053 ZVCFAEJWSXSNLJ-UHFFFAOYSA-N 304.287 3.919 0 40 DHAB COc1cccc(Oc2ccc(NC(=S)NC(C)C)cn2)c1 408551318 MZYPOVTXDIUEKF-UHFFFAOYSA-N 317.414 3.577 0 40 DHAB Cc1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1 262664 NBFPLGDWVCGPKN-UHFFFAOYSA-N 303.402 3.684 0 40 DHAB O=C1CCCc2c1c1ccccc1c(=O)n2Cc1ccccc1 384455 YEJXRHCHZBHXOI-UHFFFAOYSA-N 303.361 3.569 0 40 DHAB COc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 423932 DRRUCDHMJYXWIK-INIZCTEOSA-N 303.358 3.613 0 40 DHAB COc1cc2c(c(OC)c1OC)[C@H]1CCCC[C@@H]1SCC2=O 1556483 XOHRFHYQHDDXHS-HZMBPMFUSA-N 322.426 3.668 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)CCCCc2ccccc2)cc1 1706782 MZUIJUUYQWHBPX-UHFFFAOYSA-N 317.454 3.638 0 40 DHAB Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2108983 PUBFIXICANPISG-UHFFFAOYSA-N 320.300 3.580 0 40 DHAB biogenic CCN1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 2201788 DQLNXBHQFVPAOD-UHFFFAOYSA-N 309.413 3.582 0 40 DHAB COC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1ccc(C)o1 2708245 WBCVAVNLRBCOOQ-SOFGYWHQSA-N 319.744 3.680 0 40 DHAB CSc1ccccc1NC(=S)NCCc1ccccc1 2779123 VEVGLLQOBYVPLD-UHFFFAOYSA-N 302.468 3.938 0 40 DHAB COc1ccc2c(COc3cccc(F)c3)cc(=O)oc2c1 3353417 UMQNAGLAWRNYGE-UHFFFAOYSA-N 300.285 3.520 0 40 DHAB O=C(/C=C/c1cccc(Cl)c1)Nc1nnc(C2CC2)s1 3550754 ZSJQSBRDGPGNJA-QPJJXVBHSA-N 305.790 3.721 0 40 DHAB C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C 4340377 CHNXZKVNWQUJIB-ZWMUSQMVSA-N 312.453 3.883 0 40 DHAB Cc1ccc(C2=Nn3c(nnc3-c3cccc(C)c3)SC2)cc1 4586119 GPZBVENWFWSLHW-UHFFFAOYSA-N 320.421 3.920 0 40 DHAB CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1 5417301 AHYISXNZSIMSGW-JTQLQIEISA-N 324.837 3.632 0 40 DHAB Cc1ccc2cc(-c3noc(-c4ccccc4)n3)c(=O)[nH]c2c1 5965327 PGJCUYPYMYZOHK-UHFFFAOYSA-N 303.321 3.554 0 40 DHAB Cc1cc(Cl)cc(C)c1OCC(=O)NCc1cccs1 6651836 QQPMAUNPFHLUOC-UHFFFAOYSA-N 309.818 3.714 0 40 DHAB CCCCc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 6652862 IMWIIZSFFCGVLO-YOEHRIQHSA-N 316.445 3.663 0 40 DHAB O=C(Nc1ccc(Cl)cc1)n1nnc2cc(Cl)ccc21 6883349 HDPFALARSVVIOM-UHFFFAOYSA-N 307.140 3.818 0 40 DHAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)c1 7143430 QZSQBVFIAHHUPP-UHFFFAOYSA-N 323.392 3.669 0 40 DHAB COc1cccc(CC(=O)N[C@@H]2CCSc3ccccc32)c1 7814061 SOICPSGIJASMGR-MRXNPFEDSA-N 313.422 3.591 0 40 DHAB C[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccn1 8345285 NDIFQBRJGOZPEN-GFCCVEGCSA-N 318.804 3.747 0 40 DHAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccccc2)cc1 8392316 RTLJNULZYFDUFB-HNNXBMFYSA-N 315.438 3.671 0 40 DHAB C[C@@H](Sc1ncccc1Cl)C(=O)NCc1cccs1 8726505 PONFYPYRJBQOCL-SECBINFHSA-N 312.847 3.594 0 40 DHAB CC[C@H](C)NC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)CC)c1 10036562 BVJQSIPGIHWZLD-QWHCGFSZSA-N 320.437 3.835 0 40 DHAB Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc2o1 12983198 IVBDKPHXEWZAEK-SNVBAGLBSA-N 314.316 3.681 0 40 DHAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 14232298 QVMTZGMBBNAOJM-JTQLQIEISA-N 300.358 3.926 0 40 DHAB COc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1OC 20536101 YLKBQOXYADSKCY-SNVBAGLBSA-N 306.387 3.648 0 40 DHAB CN(Cc1c(F)cccc1Cl)C(=O)NCc1ccccc1 24941578 WGFUIDXMRGDCRJ-UHFFFAOYSA-N 306.768 3.821 0 40 DHAB COc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1Cl 27794705 NJMFSFFONFALKF-SECBINFHSA-N 320.776 3.714 0 40 DHAB O=C(CCCC1CCCCC1)NCCc1nc2ccccc2[nH]1 28853777 YUFIWIXZEVENNQ-UHFFFAOYSA-N 313.445 3.972 0 40 DHAB CCN(Cc1cccs1)C(=O)NCc1ccc(C)c(F)c1 31729555 KKWCTDOZBQVJGF-UHFFFAOYSA-N 306.406 3.927 0 40 DHAB CCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc21 32234727 BTNPNLFCTKLABX-AWEZNQCLSA-N 320.392 3.512 0 40 DHAB O=C(NCCCOC1CCCCC1)c1c[nH]c2ccccc12 32748271 DHNVXXMPINYAKX-UHFFFAOYSA-N 300.402 3.637 0 40 DHAB Cc1ccc(C(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)cc1 32818340 NZDKNAUVVSKDLS-UONOGXRCSA-N 315.335 3.615 0 40 DHAB COc1ccc(C[C@H]2C(=O)Nc3cc(Cl)ccc32)c(OC)c1 40286979 WLLSURNPUXUWFX-CQSZACIVSA-N 317.772 3.636 0 40 DHAB Cc1noc(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)s1 40510166 SUBSXUJKIVAEHA-SECBINFHSA-N 312.822 3.816 0 40 DHAB O=C(NC1CCCCCC1)N(Cc1cccc(O)c1)C1CC1 42996034 CRVPOYWBNURADK-UHFFFAOYSA-N 302.418 3.789 0 40 DHAB Cn1cc(NC(=O)c2ccc(C3SCCCS3)cc2)cn1 47530042 MFIVFJFNTSRSJP-UHFFFAOYSA-N 319.455 3.541 0 40 DHAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccoc3)s2)o1 48237615 RVFQKGOLWYHHSQ-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB CC[C@@H](NC(=O)Cc1sc(S)nc1C)c1cccs1 48748567 PPGXSYGAIBVPNY-SECBINFHSA-N 312.485 3.612 0 40 DHAB O=C(Nc1nnc(-c2ccsc2)s1)NC(C1CC1)C1CC1 52496930 RFURJQGAPHGGIQ-UHFFFAOYSA-N 320.443 3.577 0 40 DHAB Cc1cc(C(=O)N(C)Cc2cccc(O)c2)c2ccc(F)cc2n1 58065206 URRTZYBXAOYNNF-UHFFFAOYSA-N 324.355 3.660 0 40 DHAB COc1ccc(COc2ccc(C(C)=O)cc2OC)cc1F 58065803 HEGKJZUHWBCRMN-UHFFFAOYSA-N 304.317 3.625 0 40 DHAB Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C)c1ccncc1 69367428 HKXCFRNJPYLASB-LBPRGKRZSA-N 307.353 3.536 0 40 DHAB C[C@H](NCc1cnc(-c2ccccc2)s1)[C@H](C)n1cccn1 69418068 ZLZVEJZFASRVEB-KBPBESRZSA-N 312.442 3.746 0 40 DHAB Cc1nc2cc(C(=O)N(C3CC3)[C@H](C)c3ccco3)ccc2n1C 69442025 LFEBKQOERIQJPM-GFCCVEGCSA-N 323.396 3.841 0 40 DHAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1 71282589 SCWBRYQWLXBGIN-UHFFFAOYSA-N 314.348 3.877 0 40 DHAB O=C(COCC1CC1)N[C@@H](CCc1ccccc1)c1ccccc1 71805103 ISOQQZHMXDNXAJ-FQEVSTJZSA-N 323.436 3.903 0 40 DHAB CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)n[nH]1 71820907 FVCKXFUQQAONBV-QGZVFWFLSA-N 312.417 3.686 0 40 DHAB CCc1nccn1[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 71870652 IDBYREJWXVVASX-HNNXBMFYSA-N 323.396 3.669 0 40 DHAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nccs2)c1 72285913 JIBOJCYCBWZKNE-OAHLLOKOSA-N 300.427 3.748 0 40 DHAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)sc1C 72297453 RPWPYEDOTDSPOA-CABCVRRESA-N 304.459 3.822 0 40 DHAB CSC[C@H](C)NC(=O)N(C)CCc1cccc2ccccc12 77801065 YFTZRMKSKJKEIA-AWEZNQCLSA-N 316.470 3.775 0 40 DHAB COCc1nc(C(=O)N2CCCC3(CCCCCC3)C2)cs1 81304816 ROSPAYPVJABDPA-UHFFFAOYSA-N 322.474 3.866 0 40 DHAB O=C(c1ccc(F)cc1)c1ccccc1CN1CCSCC1 85651656 SQTIZVNBXWDJOJ-UHFFFAOYSA-N 315.413 3.606 0 40 DHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@H]1CCNC1 89744416 IUALHNZZYBGOIL-WDEREUQCSA-N 315.244 3.512 0 40 DHAB CCc1ccc(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 95915162 GLUNWSRFSXAWMW-QGZVFWFLSA-N 322.408 3.610 0 40 DHAB CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@@H](CO)C3)o2)c1 95989174 VUSSWYPOVFVXNF-CQSZACIVSA-N 313.397 3.524 0 40 DHAB CO[C@@H]1CCN(Cc2ccc(C)s2)[C@H]1Cc1ccccc1 96061574 QSFPSSFAKWZRGN-ZWKOTPCHSA-N 301.455 3.889 0 40 DHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1cccc(N2CCCC2)c1 96461659 AJSNAFTXUAUQPU-JCGIZDLHSA-N 324.424 3.861 0 40 DHAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc(C)n(C2CC2)c1C 97018376 GFSIXTNNKFWGLD-UHFFFAOYSA-N 312.369 3.699 0 40 DHAB Brc1cc2c(cc1Br)[C@@H]1C=C[C@@H]2O1 100807406 HFEYIRLVIARHFU-UWVGGRQHSA-N 301.965 3.894 0 40 DHAB O=C(COc1ccc(F)cc1)NCCCc1ccccc1Cl 222782108 UBYJCSLDMURQQG-UHFFFAOYSA-N 321.779 3.607 0 40 DHAB CNC(=S)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223865271 SYELJVDNPMPCNS-UHFFFAOYSA-N 309.847 3.802 0 40 DHAB CCOC(=O)c1cc(N)ccc1Nc1ccccc1OCC 225478988 AHFCKNUTWIWAPI-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB CCC(CC)NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225801172 SGOKMSYIUUWXGA-UHFFFAOYSA-N 314.838 3.602 0 40 DHAB NC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 226333281 GIRIBCLLQUMTDR-SOFGYWHQSA-N 305.736 3.557 0 40 DHAB O=C(COc1ccc2ccccc2c1)N1CCC(=C2CC2)CC1 238820297 CMKDIDZLBKDUOP-UHFFFAOYSA-N 307.393 3.931 0 40 DHAB CC(=O)N[C@]1(C)C[C@H](c2cccc(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257247368 IYRSOWDNXFRMIL-RRARJMIVSA-N 319.420 3.987 0 40 DHAB C[C@H]1C[C@@H]1c1ccc(CNCc2nnc(C(C)(C)C)s2)o1 268245141 XYNVEAQCFLMFOE-JQWIXIFHSA-N 305.447 3.842 0 40 DHAB CC(C)[C@@H](C(=O)N1CC[C@H](c2cccnc2)C1)c1ccccc1 583996054 GUKRSSIJYAWBDQ-RBUKOAKNSA-N 308.425 3.837 0 40 DHAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN1 953000199 XVBJNMAMQWPEDG-NRFANRHFSA-N 322.452 3.543 0 40 DHAB CC1(C)CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 204295 VLAXZHHIEZYSRU-UHFFFAOYSA-N 318.373 3.690 0 40 DHAB O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccncc1 412254 ZRCPKKXPCOZCRU-UHFFFAOYSA-N 316.773 3.506 0 40 DHAB COc1ccccc1/C=C/C=C1/N=C(c2ccc(C)cc2)OC1=O 430157 WXDUPNXLGDHPAL-NQLWTVTNSA-N 319.360 3.904 0 40 DHAB Cc1cc(=O)oc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 908777 OBIFMJYYOHXMRF-UHFFFAOYSA-N 309.152 3.902 0 40 DHAB c1ccc([C@@H]2COC(CC3=N[C@H](c4ccccc4)CO3)=N2)cc1 1081196 IUFHJPXOLHSJTC-IRXDYDNUSA-N 306.365 3.717 0 40 DHAB CCOC(=O)Nc1ccc2nc(N3CCCCC3)sc2c1 1563124 WAXXZUMFWXSUSF-UHFFFAOYSA-N 305.403 3.855 0 40 DHAB COc1ccccc1[C@H]1NC(=S)NC2=C1CCc1ccccc12 2482143 RRNQTRUABGKHFI-GOSISDBHSA-N 322.433 3.572 0 40 DHAB COc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1 2658259 YGJSMFPZNRTHKI-UHFFFAOYSA-N 322.364 3.813 0 40 DHAB COc1ccccc1C(=O)OCc1ccc2sc(C)nc2c1 3236690 AQEMUUUIAKUPDM-UHFFFAOYSA-N 313.378 3.970 0 40 DHAB C[C@@H](NC(=O)COC(=O)CCC1CCCCC1)c1ccccc1 3361623 JCVLFRKXSJQDFY-OAHLLOKOSA-N 317.429 3.768 0 40 DHAB CC(C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 4696217 KBCNHXIOWILZBY-JTQLQIEISA-N 304.217 3.923 0 40 DHAB Cc1ccc(NC2(c3nnnn3-c3ccccc3)CCCC2)cc1 5242949 HFDQKOIFDUPLDS-UHFFFAOYSA-N 319.412 3.852 0 40 DHAB Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 5363240 DUAQNSQHMMRTGL-UHFFFAOYSA-N 301.214 3.943 0 40 DHAB CCC/C=C(\CC)[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 5417240 DMZJJDDAKLEIIG-OKYZRPEMSA-N 312.413 3.944 0 40 DHAB COCCNC(=S)Nc1ccccc1Sc1ccccc1 5656577 KKPBGIQVWRYTTM-UHFFFAOYSA-N 318.467 3.771 0 40 DHAB CCOc1ccc(OC[C@H](O)CN[C@@H](C)CCCC(C)C)cc1 6935689 UYGDJVDSLOZSTR-DLBZAZTESA-N 323.477 3.629 0 40 DHAB COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@@H](C)[C@H]1C 8315107 SVZBRBQBMJLVMX-QKPAOTATSA-N 318.461 3.827 0 40 DHAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC(C)(C)C 8748011 JIJGHVSSZXIYDG-SNVBAGLBSA-N 322.405 3.876 0 40 DHAB COc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1 9014154 CTZLVURGWCDDDL-HNNXBMFYSA-N 319.364 3.559 0 40 DHAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1 9973177 UPJCNJLZQUJISU-UHFFFAOYSA-N 301.777 3.588 0 40 DHAB Cc1ccc(O)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 12889587 LNEYFFWTHDNUON-UHFFFAOYSA-N 309.409 3.796 0 40 DHAB CC(OC[C@@H]1CC1(Cl)Cl)OC[C@H]1CC1(Cl)Cl 13765094 QIVGZPUEXCALGR-IEESLHIDSA-N 308.032 3.753 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCCC1 16445420 PQTGFOHPDIJJPE-LJQANCHMSA-N 324.424 3.779 0 40 DHAB O=c1[nH]c2ccccc2nc1CSc1ccc2ccccc2n1 16526051 KKCOTWOPSNSUDN-UHFFFAOYSA-N 319.389 3.764 0 40 DHAB CCC[C@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20110196 SWIHACTUPFSQKP-AWEZNQCLSA-N 319.426 3.946 0 40 DHAB O=c1[nH]c(-c2ccncc2)nc2scc(-c3ccc(F)cc3)c12 20369766 FDHHBDNUQXFIGF-UHFFFAOYSA-N 323.352 3.853 0 40 DHAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 20450788 YBOSKBAYSIIXQR-CABCVRRESA-N 313.397 3.648 0 40 DHAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc2c(c1)CCCC2 24736338 IWMQHYPGAPVIQD-UHFFFAOYSA-N 319.364 3.868 0 40 DHAB Cc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1C 31976394 BKGGKKNGVOOBDJ-UHFFFAOYSA-N 300.383 3.995 0 40 DHAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C)cc1 38772780 LZHRWPGJTRPDOS-QGZVFWFLSA-N 311.425 3.820 0 40 DHAB Cc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 44140357 WJLUPZYEWQZHKO-IYBDPMFKSA-N 319.518 3.649 0 40 DHAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccc[nH]1 47274826 CCICGRMONJTGQM-ZDUSSCGKSA-N 312.398 3.993 0 40 DHAB Cc1cccc(C(C)C)c1NC(=O)NCc1nc(C2CC2)no1 47337111 BPPXPTHCOOXUTA-UHFFFAOYSA-N 314.389 3.701 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)NC2CCC(C)CC2)cc1 47947818 MCIURDIXJZISNJ-UHFFFAOYSA-N 319.405 3.955 0 40 DHAB FC(F)(F)COCCCOc1cccc(Br)c1 49312521 JGSAUVBPOUTDTN-UHFFFAOYSA-N 313.113 3.797 0 40 DHAB Cc1cc(NC(=O)CCN(C)[C@@H](C)c2cccc(Cl)c2)no1 51425890 DQFQTHGKCJDFBR-LBPRGKRZSA-N 321.808 3.658 0 40 DHAB CCCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1 57340439 ZGGFMQVBPJNIJJ-UHFFFAOYSA-N 314.385 3.709 0 40 DHAB CCCc1nc(NCCc2ccccc2)c2c(n1)c(C)nn2CC 57355862 ZNDFWFYIEDJGJQ-UHFFFAOYSA-N 323.444 3.762 0 40 DHAB CN(C(=O)NCc1cn2ccccc2n1)C1CCCCCCC1 58161020 MKZGXPZMXRSCOL-UHFFFAOYSA-N 314.433 3.589 0 40 DHAB C[C@H]1CCN(C(=O)[C@H]2CCOC2)c2cc(Cl)ccc2S1 60129468 NYDGYWVTDGJIQH-QWRGUYRKSA-N 311.834 3.594 0 40 DHAB Cc1cnn([C@H](C)[C@H](C)NCc2csc(-c3ccco3)n2)c1 69459511 SNNDGHRGBAERMJ-QWHCGFSZSA-N 316.430 3.647 0 40 DHAB C[C@H](c1ccccc1F)N(Cc1nnc(C2CC2)o1)C1CC1 69563851 GNJXMKQAYZBPKS-LLVKDONJSA-N 301.365 3.812 0 40 DHAB Cc1nnc([C@@H](C)Nc2ccc(OCc3ccccc3)nc2)o1 71902525 LDLRZEIIPSBKFH-GFCCVEGCSA-N 310.357 3.525 0 40 DHAB COc1ccc(C)cc1CNC[C@@H](c1ccc(F)cc1)N(C)C 71947203 PYFUAUWZUXYPCF-SFHVURJKSA-N 316.420 3.535 0 40 DHAB CC(C)c1nc([C@@H]2CCCN2Cc2ccncc2Cl)no1 76051442 HZXUOXKRWXIMAJ-ZDUSSCGKSA-N 306.797 3.579 0 40 DHAB C[C@@H](CNC(=O)N[C@H](c1nccs1)C1CC1)c1cccs1 78942372 NADPLPGPGFFUIC-GWCFXTLKSA-N 321.471 3.759 0 40 DHAB O=C(c1ccc(Cl)cn1)N(CCC(F)(F)F)CC1CC1 79053731 XVNPEJIECPXNDD-UHFFFAOYSA-N 306.715 3.540 0 40 DHAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]1c1cccc2ccccc12 89873204 MJZPHCHYUDKFQM-RTBURBONSA-N 302.377 3.655 0 40 DHAB CCCc1noc(CN2CC=C(c3c[nH]c4ccccc34)CC2)n1 89960509 XNGOLGPRIJMKOS-UHFFFAOYSA-N 322.412 3.793 0 40 DHAB Cc1cccc(C2(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)CCCC2)c1 95451515 ZGDJAIGVFHYRGS-CVEARBPZSA-N 313.441 3.886 0 40 DHAB COc1cc(C(=O)c2cc(Cl)ccc2C)cc(OC)c1OC 95916596 LBABVVXRYYHJMT-UHFFFAOYSA-N 320.772 3.905 0 40 DHAB C[C@H](N[C@H](C)c1ccc(F)cc1OC(F)F)c1cnn(C)c1 95968476 QAYODACGUWAQHY-VHSXEESVSA-N 313.323 3.572 0 40 DHAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cnn(C)c2)o1 97114772 KRKRCIQEZCQMBO-WFASDCNBSA-N 316.405 3.581 0 40 DHAB COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccsc2)o1 97147981 JQJWRAIZNHEHJB-AWEZNQCLSA-N 320.414 3.534 0 40 DHAB CC(C)[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccncc1 97212501 DWEKJSKYMRXZNL-IRXDYDNUSA-N 301.434 3.753 0 40 DHAB COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1N 102471805 SRRPRLJCMKCYEP-UHFFFAOYSA-N 301.415 3.610 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)CN(C)[C@H](C)C(C)(C)C)cc1C 109022577 NXNUNTBCTJCGTI-HZPDHXFCSA-N 304.478 3.847 0 40 DHAB CC(C)OCc1ccc(NC(=O)NCc2cccc(O)c2)cc1 194417787 DILAEZBWQQFUAJ-UHFFFAOYSA-N 314.385 3.639 0 40 DHAB CCOC(=O)c1sc(Nc2cccc(C(C)=O)c2)nc1C 223452986 MSENNVKKRJVRAJ-UHFFFAOYSA-N 304.371 3.574 0 40 DHAB COc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1C 225095062 NDBLXQKOLZAULN-UHFFFAOYSA-N 303.789 3.630 0 40 DHAB O=C(/C=C/c1ccco1)NCc1ccnc(-c2cccs2)c1 225650009 PHVRGTWRZLOKDI-AATRIKPKSA-N 310.378 3.733 0 40 DHAB CCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1Cl 225755970 LBQGGGKXASUTJD-UHFFFAOYSA-N 324.808 3.971 0 40 DHAB CCC(CC)NC(=S)Nc1ccc(OC)c2ncccc12 225802073 VFARISGGCNSSFU-UHFFFAOYSA-N 303.431 3.718 0 40 DHAB COc1cccc(OC)c1CCC(=O)Nc1c(C)cccc1C 225993950 CFFHUHQYMSFUJJ-UHFFFAOYSA-N 313.397 3.892 0 40 DHAB Cc1cc(C(N)=O)cc(C)c1OC(=O)c1ccc(C(C)C)cc1 226773547 MGMBDOMWYNVPIR-UHFFFAOYSA-N 311.381 3.745 0 40 DHAB Cc1ccc(C)c(OCC(=O)Nc2c(C)cc(N)cc2Cl)c1 227145213 LRAVLHTYPHMRQX-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB Cc1csc(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)c1 257255834 KJARTRQURWRPBB-AWEZNQCLSA-N 300.427 3.546 0 40 DHAB O=C(NCc1ccc(OC2CCCC2)nc1)[C@@H]1CC12CCCC2 531330087 NVQRBSXIWVUVPM-INIZCTEOSA-N 314.429 3.600 0 40 DHAB CCOCC[C@@H]1CCOC12CCN(Cc1cccs1)CC2 585105419 WIBDREZXBBEBKB-OAHLLOKOSA-N 309.475 3.546 0 40 DHAB C[C@@H](CC(=O)Nc1c[nH]nc1C1CC1)Cc1cccc(F)c1 585127255 VIXRQWOHWOAZHB-LLVKDONJSA-N 301.365 3.634 0 40 DHAB O[C@@H]1[C@@H](NCC2CCCCC2)CCC[C@H]1Oc1cccc(F)c1 585289172 NHUWZGPOEOHYTA-IPMKNSEASA-N 321.436 3.656 0 40 DHAB OC[C@@]12CCCC[C@H]1CN(c1nc3c(F)cc(F)cc3s1)C2 1888870220 FDNODPIBMNIAML-QFYYESIMSA-N 324.396 3.563 0 40 DHAB Cn1cc(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)n1 283394 NIBAOEWDQLBWBY-UHFFFAOYSA-N 304.564 3.633 0 40 DHAB O=S(=O)(C[C@H]1CC1(Cl)Cl)c1ccc2ccccc2c1 1104808 LELDKFGTFPBDRN-GFCCVEGCSA-N 315.221 3.807 0 40 DHAB O=C(NCc1cccc(OC(F)(F)F)c1)c1cccs1 2571152 KNYYSYLXYZHPLX-UHFFFAOYSA-N 301.289 3.577 0 40 DHAB CC(C)Cc1nnc(NC(=O)c2c(F)cccc2Cl)s1 2632311 HACYOSGLIBJPIB-UHFFFAOYSA-N 313.785 3.781 0 40 DHAB Cc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)no1 3399059 QPCMGWHNSJSXCV-UHFFFAOYSA-N 308.337 3.668 0 40 DHAB CCOc1ccccc1OCC(=O)Nc1cccc(Cl)c1 3458296 XJTXSGDXKQZJFW-UHFFFAOYSA-N 305.761 3.756 0 40 DHAB COc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 3897025 SNNXOWMJZQAKPY-JTQLQIEISA-N 302.399 3.529 0 40 DHAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)C1CCCCC1 4072306 WNOLQDNADJRRTG-UHFFFAOYSA-N 305.378 3.863 0 40 DHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]21 4190452 QVXFPTRAUYUMRH-MVJTYMMSSA-N 307.393 3.561 0 40 DHAB CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2=O 4866114 KMFIXDNIKAALQS-UHFFFAOYSA-N 323.414 3.573 0 40 DHAB CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1 5134668 URLHOYUYFNBJLU-UHFFFAOYSA-N 313.781 3.842 0 40 DHAB CC(=O)N1CCCc2ccc(NC(=O)c3cccc(C)c3)cc21 5252248 ISPZLTAHOZRDAJ-UHFFFAOYSA-N 308.381 3.546 0 40 DHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccccc1F 6628336 ZUHXJZAQAQRPET-GFCCVEGCSA-N 321.779 3.871 0 40 DHAB COc1cccc(NC(=O)CCSCc2ccccc2)c1 7685371 WIAJXUOKDQAOTG-UHFFFAOYSA-N 301.411 3.957 0 40 DHAB O=C(/C=C/c1nc2ccccc2o1)N1CCCc2ccccc21 7985136 JRHVIPKHCYPTKD-VAWYXSNFSA-N 304.349 3.820 0 40 DHAB O=C(Nc1nc(-c2ccccc2)cs1)c1cn2ccccc2n1 7988128 CJVKQCUJURGMPJ-UHFFFAOYSA-N 320.377 3.710 0 40 DHAB O=C1N[C@H](c2ccc(-c3ccccc3F)o2)Nc2ccccc21 9220577 IIOBCQVVUCXKLW-QGZVFWFLSA-N 308.312 3.940 0 40 DHAB O=C(O)[C@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 11960327 OTVJXTAAEKIZNU-IBGZPJMESA-N 309.409 3.767 0 40 DHAB C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc2c(c1)CCC2 12116845 BDPZGOHBBJJAGZ-ZDUSSCGKSA-N 323.440 3.658 0 40 DHAB C[C@H](Nc1nnnn1-c1ccccc1)c1ccc2ccccc2c1 12983447 HVZKJPAQNCCNML-AWEZNQCLSA-N 315.380 3.989 0 40 DHAB O=C(CN1CCCc2ccccc21)Nc1cccc(Cl)c1 13055894 NTMWJSFAXMFQFT-UHFFFAOYSA-N 300.789 3.731 0 40 DHAB Cc1ccc(Nc2nc(-c3ccc4c(c3)OCO4)cs2)nc1 13141382 UTUWZVNMPBTDTL-UHFFFAOYSA-N 311.366 3.986 0 40 DHAB COc1ccc2c(c1)[nH]c1c(N3C[C@@H](C)C[C@@H](C)C3)ncnc12 13513182 XWIMOUQNTGZNBX-TXEJJXNPSA-N 310.401 3.602 0 40 DHAB COc1cc(C(=S)NCc2ccccc2Cl)ccc1O 13547329 BWDJBNDTTNEHDU-UHFFFAOYSA-N 307.802 3.520 0 40 DHAB c1csc(-c2n[nH]c(Sc3ncnc4ccsc34)n2)c1 14137395 NZQZGGSIWTVLON-UHFFFAOYSA-N 317.424 3.689 0 40 DHAB Cc1cc(CNC(=O)N[C@H](C)CCc2ccccc2)ccc1F 14706753 MSLDRHPGNFKCPY-OAHLLOKOSA-N 314.404 3.955 0 40 DHAB O=C(/C=C/c1ccccc1)NCc1ccc(CN2CCCC2)cc1 15139941 XPUKVOFYNBNCTH-OUKQBFOZSA-N 320.436 3.612 0 40 DHAB CC(C)c1nnc(SCCCOc2ccc(C=O)cc2)o1 15418586 RTTKGWHMSABCFD-UHFFFAOYSA-N 306.387 3.567 0 40 DHAB CN(CCNC(=O)Nc1cccc(Cl)c1)c1ccccc1 18179495 PTCZTKVDQZMNTQ-UHFFFAOYSA-N 303.793 3.598 0 40 DHAB COc1ccc(N)cc1NC(=O)c1ccccc1OCC(C)C 19736220 NQJDIWATTDTYFG-UHFFFAOYSA-N 314.385 3.565 0 40 DHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)ccc1OC 20462384 OCVOVUCKUKARJX-MRXNPFEDSA-N 317.360 3.939 0 40 DHAB CCOC(=O)c1c(NC(=O)N2CCC[C@@H](C)C2)sc(C)c1C 24562518 DAHSSHQZSBCNIY-SNVBAGLBSA-N 324.446 3.805 0 40 DHAB CC(C)OCCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 28877223 XTZYALSJECHVOB-UHFFFAOYSA-N 314.429 3.592 0 40 DHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 34917954 ZLPREERWMVIGDY-MRXNPFEDSA-N 322.408 3.603 0 40 DHAB Cc1cc(C(=O)NC2CCCCCCC2)c2c(C)noc2n1 36367038 QFPNEYAMBGCLGG-UHFFFAOYSA-N 301.390 3.682 0 40 DHAB C[C@H](Sc1cccc[n+]1[O-])C(=O)C12CC3CC(CC(C3)C1)C2 36806353 ZGJCNMVAQZZCHM-IHWZXDPASA-N 317.454 3.586 0 40 DHAB Cc1cnn(C)c1C(=O)Nc1nc2c(C)c(Cl)ccc2s1 38506469 QHXQMUILDPWDFD-UHFFFAOYSA-N 320.805 3.552 0 40 DHAB COc1cc(OC)c(NC(=O)N(C)Cc2ccco2)cc1Cl 40526550 QNBVGGGPDDWPRJ-UHFFFAOYSA-N 324.764 3.614 0 40 DHAB CCOC(=O)Nc1ccc(NC(=O)NCc2cccs2)cc1 47947820 PJAPURTZZGPLHZ-UHFFFAOYSA-N 319.386 3.638 0 40 DHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc3[nH]ccc23)c1 58172098 KOBKFURHBUJZBR-UHFFFAOYSA-N 300.383 3.586 0 40 DHAB CCc1ccsc1C(=O)NCC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 59982684 XVVRGHJYPHQIEL-OKILXGFUSA-N 322.518 3.797 0 40 DHAB CCCc1nc(C)c(C(=O)Nc2ccc(C)c3cn[nH]c23)s1 63713462 RMZZZMQZTOBYDR-UHFFFAOYSA-N 314.414 3.841 0 40 DHAB Nc1cccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 64874551 UCJQZGXYJGSHBF-UHFFFAOYSA-N 304.275 3.740 0 40 DHAB Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC[C@@H]3C)c2)n1 65587265 JRIARLIWYWRDRU-HNNXBMFYSA-N 311.429 3.563 0 40 DHAB Cc1nccn1-c1cccc([C@H]2CCCN(C3CCCC3)C2)n1 72379133 SDWKIKQEGMFBBR-INIZCTEOSA-N 310.445 3.698 0 40 DHAB Cn1cccc1CNC(=O)c1cc2ccc(Cl)cc2s1 72402926 RCGPHXZTCRKBTQ-UHFFFAOYSA-N 304.802 3.823 0 40 DHAB C[C@@H]1CCN(C(=O)COC(=O)CC2CCCC2)[C@@H]2CCCC[C@H]12 84697817 MHXGKFMCSLRLCX-DJIMGWMZSA-N 321.461 3.537 0 40 DHAB O=C(NCC1(C2CC2)CC1)Nc1ccc2[nH]c(C(F)F)nc2c1 93351064 PKWVJRDADPWYKV-UHFFFAOYSA-N 320.343 3.812 0 40 DHAB CC[C@@H](c1ccncc1)N(CC)C(=O)NC[C@@]1(C)CCCS1 95412608 PVYUDQLMENPNPW-DOTOQJQBSA-N 321.490 3.850 0 40 DHAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1cccc2[nH]ccc12 95476671 NPAAZDKOEKHVOR-UHFFFAOYSA-N 316.364 3.821 0 40 DHAB CC(C)(C)c1ccc(-c2n[nH]c([C@H](N)c3ccc(F)cc3)n2)cc1 95533332 DWZTVVBWUJRXCT-MRXNPFEDSA-N 324.403 3.956 0 40 DHAB CCOc1cccc(CNc2ccc(C(=O)NC(C)C)cc2)c1 97159038 CKILWQCYJXMEAY-UHFFFAOYSA-N 312.413 3.836 0 40 DHAB O=C(O)[C@H]1CC[C@H](C(=O)c2ccc(Br)cc2)CC1 100449777 IWFBIELJDOHRIX-JGZJWPJOSA-N 311.175 3.523 0 40 DHAB C[S@](=O)Cc1cc(NC2Cc3ccccc3C2)ccc1Cl 132991572 HKHVKCXOOYJCFR-OAQYLSRUSA-N 319.857 3.798 0 40 DHAB O=C(NC[C@H]1CCCN1c1ccccc1)c1cccc(Cl)c1 207991620 GXRJKEQOHSLNCJ-QGZVFWFLSA-N 314.816 3.739 0 40 DHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 222813338 AWXNVONUFHRBMC-UONOGXRCSA-N 303.456 3.524 0 40 DHAB CCc1nnc2sc(-c3ccc4c5c(cccc35)CC4)nn12 226298682 GQEXEVLKMNKLAB-UHFFFAOYSA-N 306.394 3.667 0 40 DHAB S=C(N[C@H]1CCCc2ccccc21)N[C@H]1C[C@H]2CC[C@H]1C2 254379672 FPTCJJAESGOLQE-CSFVBSKPSA-N 300.471 3.717 0 40 DHAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)cn1 257226207 FJQIPHUQUDSWBE-HNNXBMFYSA-N 300.427 3.546 0 40 DHAB CN(CCc1ccccc1)C(=O)c1cccnc1-c1cncs1 257260625 LDQYWQRGNBBHNA-UHFFFAOYSA-N 323.421 3.520 0 40 DHAB COc1ccc(C(=S)NCc2ccc(Cl)cc2)c(OC)c1 408578345 XQVLXGPWUVFYLB-UHFFFAOYSA-N 321.829 3.823 0 40 DHAB CCCCCCOc1ccccc1C(=S)N1CCOCC1 408719807 SOXUDDLRJIAWRM-UHFFFAOYSA-N 307.459 3.653 0 40 DHAB S=C(NCCC1=CCCCC1)Nc1ccc2snnc2c1 408999576 WXKMYVVNPXUCAW-UHFFFAOYSA-N 318.471 3.868 0 40 DHAB Cc1ccc(C)c(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 409206705 VXWZIYHJOGKURH-UHFFFAOYSA-N 308.425 3.875 0 40 DHAB C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(F)cc32)C(=O)N1c1ccccc1 539086881 BLKDHFNVMHRISG-ZNOIYHFQSA-N 324.399 3.597 0 40 DHAB O=C(c1ccc(OC(F)(F)C(F)F)cc1)C(F)(F)Cl 575242712 DRAFNACZZYPBRM-UHFFFAOYSA-N 306.589 3.938 0 40 DHAB CCOc1ccc2c(=O)c(Oc3ccccc3OC)coc2c1 490242 OGZUMKHYINRHTP-UHFFFAOYSA-N 312.321 3.993 0 40 DHAB biogenic CC(C)(C)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 526286 XMZORNCVRIMUSE-UHFFFAOYSA-N 306.822 3.954 0 40 DHAB c1ccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)cc1 542425 OINHUSSGRKSELU-UHFFFAOYSA-N 318.384 3.511 0 40 DHAB O=C(O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1 959125 POORMKCKTPLEDJ-UHFFFAOYSA-N 306.325 3.662 0 40 DHAB COc1cc(Cl)c(OP(=O)(OC)OC)cc1Cl 1599695 MZFBIIAXRHYSPA-UHFFFAOYSA-N 301.062 3.782 0 40 DHAB Cc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1 2528002 BZXAKJNOYOUQPS-UHFFFAOYSA-N 313.384 3.519 0 40 DHAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccco1 3195333 WQZNUMAPYDRLTK-AATRIKPKSA-N 321.258 3.506 0 40 DHAB C[C@]1(C(=O)OCc2nc3ccccc3s2)CC1(Cl)Cl 3273914 FNEQPYSVJSPUMA-GFCCVEGCSA-N 316.209 3.923 0 40 DHAB O=C(Cc1ccccc1C(=O)O)Nc1cccc2ccccc12 3290045 FARAKKYGWGWSNL-UHFFFAOYSA-N 305.333 3.719 0 40 DHAB O=C(COc1ncnc2sccc12)c1ccc(Cl)s1 3392878 KPOUUGJVYIILDT-UHFFFAOYSA-N 310.787 3.668 0 40 DHAB O=C(COc1ccccc1Cl)Nc1ccc2c(c1)CCC2 3514876 XEKBAZPUMJKCAV-UHFFFAOYSA-N 301.773 3.846 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1C 3581421 GLOFVDCOOSJHCG-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB O=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 4201513 OJFCJHKRWACIPB-UHFFFAOYSA-N 324.163 3.823 0 40 DHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(CC(C)C)CC(C)C 4268563 FAOCJBLQCDLZAD-UHFFFAOYSA-N 314.429 3.800 0 40 DHAB COc1ccccc1C[C@@H](CC(=O)O)[C@@H]1CCOC(C)(C)C1 4904130 QJIWYGNJXDMZRQ-CABCVRRESA-N 306.402 3.534 0 40 DHAB O=C(CCC(=O)c1ccccc1)NCc1ccccc1Cl 5062210 XOAZSHFQSIRGPE-UHFFFAOYSA-N 301.773 3.619 0 40 DHAB Cc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)c1 5079724 STORHSJISZEIRE-UHFFFAOYSA-N 319.360 3.891 0 40 DHAB C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(F)cc1 5938038 SAUNMHLPABEXJE-ZETCQYMHSA-N 315.241 3.873 0 40 DHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)CC[C@H]12 6469390 CXFWIKINSICEBC-OASDCEPNSA-N 304.430 3.894 0 40 DHAB O=C(Cc1ccccc1F)Nc1ccc(N2CCCCC2)cc1 6646440 DVAGPXKIFNTMIT-UHFFFAOYSA-N 312.388 3.997 0 40 DHAB CC(C)[C@H](NC(=O)CCc1ccco1)c1nc2ccccc2[nH]1 6657737 JLXVYPJNRQMBCO-KRWDZBQOSA-N 311.385 3.602 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1 6949140 HYOPOKXOLZULFP-UHFFFAOYSA-N 301.415 3.570 0 40 DHAB O=C(O[C@@H]1CCCCC1=O)c1ccccc1C(=O)c1ccccc1 8756037 UOTOWRKOWYGPJS-GOSISDBHSA-N 322.360 3.586 0 40 DHAB Nc1nc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)n[nH]1 9550195 DMHYVKLHJIQFHS-CYBMUJFWSA-N 316.817 3.922 0 40 DHAB Cc1ccc(C)c(OCCSC2=N[C@@H]3CCCC[C@@H]3N2)c1 9691500 MGQBPZIHPKNTFB-GASCZTMLSA-N 304.459 3.686 0 40 DHAB CC(C)(C)C(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1 12553578 OXXGCXRDWULAKN-UHFFFAOYSA-N 316.426 3.914 0 40 DHAB Cc1sc(-n2cccc2)c(C(=O)NCc2ccco2)c1C 12801462 JQKNUHKLKBGIBU-UHFFFAOYSA-N 300.383 3.679 0 40 DHAB O=C(NC(C1CC1)C1CC1)c1ccc(Br)cc1F 12808515 LQIUTOWCZAPRQH-UHFFFAOYSA-N 312.182 3.507 0 40 DHAB C[C@H]1CCC[C@H](C)N1NC(=O)Cc1c(Cl)cccc1Cl 12913702 MYPAZEIBOAACEA-QWRGUYRKSA-N 315.244 3.830 0 40 DHAB COC(=O)c1cccc(NC(=O)c2c(C)[nH]c3ccccc23)c1 14197555 VLGYMYNZIGNFEF-UHFFFAOYSA-N 308.337 3.515 0 40 DHAB Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(F)c1 15313997 XZBCMHIUHFKKFX-UHFFFAOYSA-N 301.214 3.943 0 40 DHAB Cc1ccc(/C=C/C(=O)NC2CCCC2)c(Br)c1 15593256 BSJVFRWUCADQKD-CMDGGOBGSA-N 308.219 3.830 0 40 DHAB O=C(/C=C/c1ccccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 16000849 LJANJGCDCZIOID-MOXZYMDWSA-N 319.832 3.507 0 40 DHAB Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2cccc(F)c2)c1 16374183 ADUJDDZPGKBGMQ-CQSZACIVSA-N 300.377 3.593 0 40 DHAB O=C(Cc1csc(Nc2ccccc2)n1)Nc1nccs1 16850031 CRIVTKJBYUXOMR-UHFFFAOYSA-N 316.411 3.524 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1 20107384 MEFPEBJYJXKFGW-KRWDZBQOSA-N 301.361 3.642 0 40 DHAB Nc1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl 20193950 VMONRAWGHFODQG-UHFFFAOYSA-N 300.667 3.592 0 40 DHAB C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1Cl 21473678 IOZLNZNWBCDMQO-JTQLQIEISA-N 313.781 3.519 0 40 DHAB CCN1CCCc2cc(CCNC(=O)c3ccc(C)cc3)ccc21 22732623 OLRQUKGMDMRYTD-UHFFFAOYSA-N 322.452 3.740 0 40 DHAB c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)nc1 23078932 HRRRLQYONLOQSH-UHFFFAOYSA-N 313.364 3.699 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 25336163 ZKSORLHLZKILFB-LBPRGKRZSA-N 319.788 3.892 0 40 DHAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccccc1 27580702 OTTZSKGLDYXAOQ-MRXNPFEDSA-N 314.454 3.705 0 40 DHAB CCn1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2F)n1 28222790 YUWQKGQFZUPOBJ-UHFFFAOYSA-N 302.136 3.601 0 40 DHAB COc1ccc(OCc2ccc(C(=O)Nc3ccncc3)o2)cc1 28234390 UDZBLVNOPRHUGQ-UHFFFAOYSA-N 324.336 3.515 0 40 DHAB Cc1cc(SCc2cn3cccnc3n2)nc2ccccc12 29035779 ICLXGCRTVXYNOI-UHFFFAOYSA-N 306.394 3.878 0 40 DHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1cccnc1 30314768 QMCLIEFOOBZPRV-ZQNFCJTASA-N 300.789 3.968 0 40 DHAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)cc1 30850026 OFDBYLUBTWNAHW-UHFFFAOYSA-N 323.439 3.608 0 40 DHAB C[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)N1CCOCC1 31719433 RUSXYSPNUUXXDR-QFBILLFUSA-N 309.409 3.579 0 40 DHAB in-vitro Cc1ccc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c(F)c1 32579468 LYCHMOCJOMBSMN-JTQLQIEISA-N 307.394 3.647 0 40 DHAB c1ccc([C@@H](CN2CCCC2)Nc2ncnc3ccccc23)cc1 32770053 YWVKDFGHMVMCNL-LJQANCHMSA-N 318.424 3.879 0 40 DHAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 32922724 BKFZVNHQILLWGY-UHFFFAOYSA-N 308.337 3.993 0 40 DHAB O=C(Nc1ccccc1F)[C@H]1CCCN(Cc2ccccc2)C1 38849216 SCBQQUWCBLSALZ-INIZCTEOSA-N 312.388 3.676 0 40 DHAB O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc2c(c1)OCO2 41450233 BRZSAXSWEMDBRJ-UHFFFAOYSA-N 308.696 3.852 0 40 DHAB CC(C)OCCCNC(=O)CCc1ccc(Cl)cc1Cl 44860047 UXMWAOCAIHPOFX-UHFFFAOYSA-N 318.244 3.857 0 40 DHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1 48044604 LSKPANNGZHDXJD-AOOOYVTPSA-N 322.257 3.660 0 40 DHAB O=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1 48202711 PZMKRCZVQBLNIT-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB Cc1noc(COC(=O)c2ccccc2N(C)c2ccccc2)n1 51515936 NGMGYRWNTWMOEL-UHFFFAOYSA-N 323.352 3.503 0 40 DHAB Cc1cnc(NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)s1 54653511 KXFATDALQCOABA-UONOGXRCSA-N 302.399 3.558 0 40 DHAB CCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCCN2)n1 72209123 SGYQSZMFUVRBHA-LBPRGKRZSA-N 307.781 3.603 0 40 DHAB CC(=O)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359314 AOYTZADKTICWCD-CQSZACIVSA-N 315.804 3.523 0 40 DHAB Fc1cccc(CSc2nccn2Cc2ccccn2)c1F 75137801 JTDUVVTTWLNDIW-UHFFFAOYSA-N 317.364 3.897 0 40 DHAB CS[C@H]1CCC[C@H]1N(C)Cc1nnc(-c2cccs2)o1 76146515 RTHSADNJNWBXEE-MNOVXSKESA-N 309.460 3.514 0 40 DHAB O=C(c1ccccn1)N1CCCCC[C@H]1Cc1cccs1 84609823 GMQHORQLDHUFBZ-AWEZNQCLSA-N 300.427 3.771 0 40 DHAB O=C(c1cc2ccccc2[nH]1)N1CCc2c([nH]c3ccccc23)C1 89362694 BMAGKVSVVMMVPI-UHFFFAOYSA-N 315.376 3.848 0 40 DHAB biogenic Cc1nnsc1C(=O)Nc1cccc2c1ccn2C(C)C 95477620 BQAWDSASQWSTCZ-UHFFFAOYSA-N 300.387 3.634 0 40 DHAB Cc1cc([C@H](NCc2ccnc(N(C)C)n2)C(C)C)c(C)s1 95988220 BMGHJVPUEPIYSU-MRXNPFEDSA-N 318.490 3.708 0 40 DHAB Cc1ccc(S(=O)(=O)N2CCC(C)(C)c3ccccc32)cc1 96184060 OPIQJXUYBAGSFH-UHFFFAOYSA-N 315.438 3.872 0 40 DHAB COc1ccc(F)cc1CSCc1nnc(SC)s1 96403350 SACHGVZBOQIHKS-UHFFFAOYSA-N 316.448 3.841 0 40 DHAB COCc1noc(-c2cc(-c3ccccn3)ccc2Cl)n1 96484228 WZGWMMFSKJAONZ-UHFFFAOYSA-N 301.733 3.598 0 40 DHAB CCCCCCn1cnc2cc(Br)ccc2c1=O 96551269 OLERUMXEUJJCDK-UHFFFAOYSA-N 309.207 3.739 0 40 DHAB Cn1cnnc1CNc1cc(Cl)ccc1Oc1ccccc1 97048039 ZTHIDLMVSSBRLQ-UHFFFAOYSA-N 314.776 3.873 0 40 DHAB Cc1c(NC2CCN(Cc3cccnc3)CC2)cccc1N(C)C 97084721 DIFONGXGRMCZRA-UHFFFAOYSA-N 324.472 3.533 0 40 DHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100100488 RCEYFYWIRNYBBS-SZXPJGKVSA-N 309.409 3.912 0 40 DHAB CN(C(=O)C1[C@H]2CCCC[C@H]12)c1ccc(-c2ccccc2)nn1 101647851 GPGOYNOZMDTPCO-GJZGRUSLSA-N 307.397 3.543 0 40 DHAB O=C(CSc1cccs1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 101747409 FLVQJTJZHSBULD-KBRIMQKVSA-N 315.463 3.685 0 40 DHAB CSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)CCCC1=N2 102668314 SVFMNLRVEMCLLI-AWEZNQCLSA-N 312.398 3.672 0 40 DHAB COC(=O)c1ccc(OC)c(OCc2ccccc2Cl)c1 216804918 RYTDRVZIOICLOM-UHFFFAOYSA-N 306.745 3.714 0 40 DHAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1 218808504 XWBGXJWFJJFVOM-QGZVFWFLSA-N 311.425 3.738 0 40 DHAB Cc1cc(C)c(C)c(OCC(=O)NCCCc2ccccc2)c1 218967956 HFJMGFQWLINWLI-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB O=C(OCc1ccccc1F)c1snnc1-c1cccs1 223846814 AIZIUZYXIPNKFO-UHFFFAOYSA-N 320.370 3.763 0 40 DHAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C)c1C 223861457 DCEIEBLFTGTWSI-UHFFFAOYSA-N 319.426 3.730 0 40 DHAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 224604915 WWVIETRHFSYCDA-HNNXBMFYSA-N 313.397 3.856 0 40 DHAB Cc1ccc(OCCNC(=O)CCc2ccc(C)c(C)c2)cc1 225649363 HAXVCOLEVGQOMJ-UHFFFAOYSA-N 311.425 3.740 0 40 DHAB CO[C@H](CNC(=O)/C=C/c1ccco1)c1ccc(Cl)s1 225700117 VYZCFMLUXJXISU-TZOMUSMUSA-N 311.790 3.512 0 40 DHAB CCn1c(=O)cc(C(F)F)c2cc(Br)ccc21 225758092 USQMZPRHSYHENP-UHFFFAOYSA-N 302.118 3.722 0 40 DHAB CCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)cc1 226265665 BCNJGQSLMMNOPB-UHFFFAOYSA-N 309.413 3.684 0 40 DHAB CC1CCN(C[C@H](O)CCO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 253531680 VKHVDMQUWAJNHZ-FTEYMNFISA-N 323.521 3.701 0 40 DHAB CC(C)=CCC/C(C)=C\CC/C(C)=C\[C@H](O)P(=O)(O)O 299888515 MONZTFSZTWQCKH-PITDBZJHSA-N 302.351 3.902 0 40 DHAB O=C1[C@H](Nc2ccc(Cl)cc2)CCCN1c1ccccc1 522377605 DXBQOFICHZYJAD-MRXNPFEDSA-N 300.789 3.948 0 40 DHAB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1 564649424 QRGAEWUNXZTFLB-OUCADQQQSA-N 317.385 3.547 0 40 DHAB C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCc1cccc(O)c1 1528094639 LKMJDCXXTVKEFB-YPMHNXCESA-N 315.335 3.514 0 40 DHAB CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 45001 FOLNCPMAIZWJRE-INIZCTEOSA-N 322.408 3.549 0 40 DHAB COc1ccc(OC(=O)c2ccc(Cl)cc2)c(C(C)=O)c1 262434 BQRZEELNPPATAP-UHFFFAOYSA-N 304.729 3.770 0 40 DHAB biogenic Fc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1 530256 YGSHWYUCEJZJLY-UHFFFAOYSA-N 316.405 3.823 0 40 DHAB Cc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1 819160 MHBMQKIFIXWROB-UHFFFAOYSA-N 321.380 3.736 0 40 DHAB COc1ccc2c(c1)c1ncnc(N3C[C@H](C)C[C@@H](C)C3)c1n2C 2216740 WUWTVBLBTCIWLU-CHWSQXEVSA-N 324.428 3.612 0 40 DHAB CCc1ccc2[nH]cc(C(=O)c3ccc(Cl)cc3)c(=O)c2c1 2461966 NXANWGNXLPOODN-UHFFFAOYSA-N 311.768 3.975 0 40 DHAB O=C(/C=C/c1cccc(Br)c1)NCc1ccccc1 2534671 XTRJTKIIAYKPRW-MDZDMXLPSA-N 316.198 3.779 0 40 DHAB CC(C)(C)c1ccc(OC[C@H](O)CN2CCCCCC2)cc1 3151865 SYTSDFJMWZSPFV-QGZVFWFLSA-N 305.462 3.600 0 40 DHAB Cc1ccsc1C(=O)OCC(=O)c1cc2ccccc2o1 3217705 DGLJGXLEJKDJES-UHFFFAOYSA-N 300.335 3.842 0 40 DHAB Cc1sc2ncnc(NCCOc3ccccc3F)c2c1C 3453499 UETCPNYJVNVCRO-UHFFFAOYSA-N 317.389 3.938 0 40 DHAB Cn1cc(CNCCc2c[nH]c3ccccc23)c2ccccc21 3767809 FMHBPFPXQUJNBG-UHFFFAOYSA-N 303.409 3.992 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1nonc1-c1ccccc1 5452136 FZMQCDZZBMXSQA-UHFFFAOYSA-N 313.744 3.571 0 40 DHAB COc1cccc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1 5503291 GVMDHCGKOFHSHB-UHFFFAOYSA-N 320.392 3.804 0 40 DHAB in-vivo C[C@H]1C[C@H]1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 5693990 VWULPBWPHNZFED-YVEFUNNKSA-N 306.361 3.640 0 40 DHAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2cccc(F)c2)cc1 5818269 ZNLPYVVBYGBMPQ-GOSISDBHSA-N 321.355 3.915 0 40 DHAB FC(F)Oc1ccc(/C=C\c2nnc(-c3ccccn3)o2)cc1 6943578 HCHQGHIAHJBLCI-TWGQIWQCSA-N 315.279 3.903 0 40 DHAB O=c1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)[nH]1 7995030 VSLHIMFKAHSINK-UHFFFAOYSA-N 311.772 3.702 0 40 DHAB Fc1cccc(-c2nnc3sc(CCc4ccccc4)nn23)c1 10311601 RRCHAGCKQKZLBE-UHFFFAOYSA-N 324.384 3.777 0 40 DHAB COc1cc(C)c(CN2[C@H]3CC[C@@H]2c2cnc(C)nc2C3)cc1C 12186492 ODFYFVAOVLTWEU-QFBILLFUSA-N 323.440 3.672 0 40 DHAB Cc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1F 12556066 SCQLAFQKVWBCSA-UHFFFAOYSA-N 310.372 3.909 0 40 DHAB O=C(Cc1ccc(Cl)cc1)NCCc1cccc2cccnc12 12902031 PMJNEUOLOJVGTR-UHFFFAOYSA-N 324.811 3.790 0 40 DHAB CCc1cccc(N2C[C@H](C(=O)Nc3cccc(C)c3)CC2=O)c1 12929219 APMZDDFLFSXIFZ-MRXNPFEDSA-N 322.408 3.549 0 40 DHAB CN(Cc1ccc(I)cc1)c1ccccc1 16123599 VHJFOMHXRYUZPP-UHFFFAOYSA-N 323.177 3.928 0 40 DHAB COc1ccc(OC)c(/C=C/c2sc3ccccc3[n+]2C)c1 17004271 AJYDVCNKVYLAFH-DHZHZOJOSA-N 312.414 3.913 0 40 DHAB CC[C@H](C)Nc1ncnc2c1cnn2-c1cccc(Cl)c1 17268795 OHCRWPOCZOYTED-JTQLQIEISA-N 301.781 3.679 0 40 DHAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 19736740 QWPIDDMDGYOUSY-LBPRGKRZSA-N 314.385 3.707 0 40 DHAB O=C(NC1CC1)c1ccccc1NCc1c(F)cccc1Cl 22474464 PTKKPJRYOWVZIM-UHFFFAOYSA-N 318.779 3.983 0 40 DHAB CCOc1cc(C)c(S(=O)(=O)NC(C)(C)C)cc1C(C)C 27587992 OBBSIDPQJJQZRH-UHFFFAOYSA-N 313.463 3.594 0 40 DHAB Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 35696777 MPYIULAEVRYFRJ-UHFFFAOYSA-N 316.158 3.748 0 40 DHAB CNc1ccccc1C(=O)Nc1cccc(Br)c1 39212957 CQCJXBNTFSBWEJ-UHFFFAOYSA-N 305.175 3.743 0 40 DHAB Cc1ccc(C2=NCCCN2C(=S)Nc2ccccc2)cc1 41104937 FIZIQQBYIKOZFY-UHFFFAOYSA-N 309.438 3.844 0 40 DHAB Cc1cc(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)no1 42673752 PAXFHIDOHSYUBC-SSDOTTSWSA-N 317.147 3.920 0 40 DHAB CN(C(=O)Nc1cccc(-c2nnco2)c1)C1CCCCC1 44087545 JTBMGUXVCCTTQV-UHFFFAOYSA-N 300.362 3.533 0 40 DHAB Cc1ccc(NC(=O)c2ccsc2)c(-c2nc(C3CC3)n[nH]2)c1 44972580 OBCZOWSITMOSJU-UHFFFAOYSA-N 324.409 3.971 0 40 DHAB Fc1ccc([C@H]2NCc3cc4c(cc3-n3cccc32)OCO4)cc1 55231377 OFLGOKDDWQXXNP-LJQANCHMSA-N 322.339 3.538 0 40 DHAB Cc1ccc(-c2noc([C@H](C)Sc3nccn3C)n2)cc1F 58573188 PIWCLVZCXHVHIX-JTQLQIEISA-N 318.377 3.771 0 40 DHAB COC(=O)c1ccccc1NC(=O)CCSc1ccccc1 59244603 IWSSOYZVMHIXKD-UHFFFAOYSA-N 315.394 3.594 0 40 DHAB C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(F)c(Cl)c1 69652847 YKHNAOLGOOHEFF-NSHDSACASA-N 321.783 3.777 0 40 DHAB Cc1c(NC(=O)N[C@H](C)c2cccnc2)cccc1OC(F)F 69774989 VIKVSWGTABQKAL-LLVKDONJSA-N 321.327 3.874 0 40 DHAB O=C(c1ncoc1[C@@H]1CCCO1)N1CCCC2(CCCCC2)C1 79361846 UFQHEUUBJMARCD-AWEZNQCLSA-N 318.417 3.713 0 40 DHAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc(OC(C)C)c(C)c2)no1 89591140 UCSXQVGEXQOPLK-CYBMUJFWSA-N 317.389 3.518 0 40 DHAB Cc1ccc(NC(=O)COc2ccc3ccccc3c2CO)cc1 95095024 KRLOGXKEHWWRIF-UHFFFAOYSA-N 321.376 3.658 0 40 DHAB C[C@H](NCCCCn1ccccc1=O)c1cc2ccccc2o1 95421256 GAROBWDZDMFLDD-HNNXBMFYSA-N 310.397 3.726 0 40 DHAB Cc1cc([C@@H](C)NC2CCN(C[C@@H]3CCOC3)CC2)c(C)s1 95422681 LWMKZZBJJMNJKS-ZBFHGGJFSA-N 322.518 3.516 0 40 DHAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1cccc(C(F)F)c1 95961119 HWYZIGKQLZHRMI-XQQFMLRXSA-N 310.344 3.559 0 40 DHAB COc1cc([C@H](C)Nc2cccc(C)c2)ccc1S(C)(=O)=O 97037021 HJAVBVBKNXPEGD-ZDUSSCGKSA-N 319.426 3.580 0 40 DHAB CCN(CC)[C@H](CNc1nc(C)cc(C)n1)c1ccsc1 97286642 UVWZGQXYVLOAJZ-OAHLLOKOSA-N 304.463 3.650 0 40 DHAB COCc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 103095618 AGAXPUHSPWLZKA-GPMSIDNRSA-N 301.430 3.778 0 40 DHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1 148100078 MISHKVDZYLEVQQ-UHFFFAOYSA-N 323.371 3.940 0 40 DHAB O=C(CCc1ccccc1Cl)NCCSCc1ccco1 220012229 CIRDUUFXQHWGIQ-UHFFFAOYSA-N 323.845 3.915 0 40 DHAB CC(C)C(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 223097209 HPVDQIZFBSXQCT-UHFFFAOYSA-N 315.417 3.649 0 40 DHAB Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 224701477 LVAAYBAVRAAFBZ-UHFFFAOYSA-N 309.818 3.782 0 40 DHAB CCNC(=O)c1ccc(OCC)c(COCc2ccccc2)c1 224744044 OEDJLDSGPOCQAU-UHFFFAOYSA-N 313.397 3.552 0 40 DHAB Cc1ccc(OCCNC(=O)Cc2cccc(Cl)c2)c(C)c1 225168531 WWHUUEPKMUZROV-UHFFFAOYSA-N 317.816 3.695 0 40 DHAB CCCOc1ncc(NC(=O)C2(OCC)CCCCC2)cc1C 225899160 YZBXBMQOZUWADC-UHFFFAOYSA-N 320.433 3.857 0 40 DHAB CC(C)(C)[C@H]1C[C@@H](NC(=O)Cc2ccccc2)[C@@H]2CCC[C@H]2O1 257266891 MFACYWXCVVJLFI-BSDSXHPESA-N 315.457 3.718 0 40 DHAB O=C1C[C@H](C(=O)Nc2cncc3ccccc23)c2ccccc21 530450654 FLMJRJUJVBICOB-INIZCTEOSA-N 302.333 3.544 0 40 DHAB Cc1cc2c(cc1-c1ccnc3ncnn13)[C@@H](C)CC(C)(C)N2 575473183 LFBQWQCGYOJGRW-LBPRGKRZSA-N 307.401 3.797 0 40 DHAB CSc1cccc(C(=O)NCc2cncc(-c3ccco3)c2)c1 575619503 ULWBWLXFZYYTCX-UHFFFAOYSA-N 324.405 3.994 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC2(CC1)C(F)(F)C2(F)F 585090261 MIGCMPREXILSLQ-SDDRHHMPSA-N 319.342 3.706 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1ccc2nc(C3CC3)cn2n1 1888909655 XAITVUZLUATBSS-UHFFFAOYSA-N 312.760 3.512 0 40 DHAB Cc1cnccc1O[C@H]1CCN(c2ncc(Cl)cc2Cl)C1 1889108536 HTDUTXIKMUCILZ-LBPRGKRZSA-N 324.211 3.750 0 40 DHAB COc1ccc2c(C)c(-c3ccc4c(c3)OCCO4)c(=O)oc2c1 138789 NINIQAZQMCSTAI-UHFFFAOYSA-N 324.332 3.548 0 40 DHAB biogenic Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1 252117 MVLDLIHJMREZIH-OAHLLOKOSA-N 319.408 3.711 0 40 DHAB Cc1cccc(CC(=O)NCCn2c(C)cc3ccccc32)c1 427915 AKZKUWWTDMBAQT-UHFFFAOYSA-N 306.409 3.617 0 40 DHAB CCO[P@](=O)(c1ccccc1Cl)[C@H](O)c1ccccc1 523326 IBADJSYOHMKQHF-MGPUTAFESA-N 310.717 3.971 0 40 DHAB CC(=O)c1cn(CC(=O)Nc2ccccc2F)c2ccccc12 555387 DJRUPQVRZNGPJQ-UHFFFAOYSA-N 310.328 3.622 0 40 DHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1 1934129 ZOTBGPQYCCBFLQ-UHFFFAOYSA-N 317.772 3.698 0 40 DHAB CCCCOC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 2407562 CZGLZUALGZJINN-UHFFFAOYSA-N 309.366 3.617 0 40 DHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2o1 3301801 UZXNCRXUCPHCIJ-RYUDHWBXSA-N 304.415 3.709 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1C 3507287 WOMWOPLKOKSXQE-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB O=C(O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F 4104975 YQGXNUIEVYQZIU-UHFFFAOYSA-N 309.243 3.656 0 40 DHAB O=C(NCc1ccc(-n2cccc2)cc1)c1c(F)cccc1F 4628851 LCBUCYSIQLRSDD-UHFFFAOYSA-N 312.319 3.686 0 40 DHAB CCOc1ccc(-c2cnc(NCc3cccc(O)c3)n2C)cc1 4678971 BFVKXYZBOZDRLV-UHFFFAOYSA-N 323.396 3.804 0 40 DHAB c1ccc([C@@H]2C[C@@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744878 CPGHRHMJQUGJTA-KBPBESRZSA-N 306.321 3.736 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 5701395 ZJFJEHHYFQHULD-GFCCVEGCSA-N 303.333 3.549 0 40 DHAB CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1 6014810 IEEUREWPQNTUAQ-UHFFFAOYSA-N 313.445 3.685 0 40 DHAB CN(C(=O)CN1C(=O)c2cccc3cccc1c23)C1CCCCC1 6128158 AUSJECXHSADRAQ-UHFFFAOYSA-N 322.408 3.591 0 40 DHAB Nc1nc(=O)c(CCCCc2ccccc2)c(-c2ccccc2)[nH]1 8618657 KVZVAMURNMSRSV-UHFFFAOYSA-N 319.408 3.585 0 40 DHAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C4CCCCC4)cc1c32 9737926 TVPCAMJLTYLGCC-GFCCVEGCSA-N 312.413 3.602 0 40 DHAB O=C1CCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2N1 9827754 YPZFMBZRWUFHPZ-UHFFFAOYSA-N 324.424 3.726 0 40 DHAB Cc1ccc(CCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 10110523 UPSTXHSDUSWSGX-UHFFFAOYSA-N 323.845 3.560 0 40 DHAB CSc1ccc(Cl)c(C(=O)NOCc2ccccc2)c1 10318905 DKQLSGYMSQLDEB-UHFFFAOYSA-N 307.802 3.924 0 40 DHAB CCCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1 12603789 LFOGXPWEWXMIIL-UHFFFAOYSA-N 307.397 3.936 0 40 DHAB S=C(NCCCN1CCCCC1)Nc1ccccc1Cl 18162520 WXONVOAGBRTEDX-UHFFFAOYSA-N 311.882 3.502 0 40 DHAB Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 19075262 LTMJUKDTJBCEMN-YOEHRIQHSA-N 307.459 3.584 0 40 DHAB Cc1ccc(N)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 19736048 DZGANKJMJOSGSD-UHFFFAOYSA-N 318.804 3.865 0 40 DHAB O=S(=O)(Cc1cccc(F)c1)c1ccc2ccccc2c1 19822063 ATJJKYDDIIOXSO-UHFFFAOYSA-N 300.354 3.953 0 40 DHAB NC(=O)[C@H](SC1=Nc2ccccc2CS1)c1ccccc1 21523024 KCTHQPCQWZBORB-CQSZACIVSA-N 314.435 3.881 0 40 DHAB O=C(OCc1nc2ccccc2s1)c1ccc(F)c(F)c1 22430376 FEFGREZDQTUNHA-UHFFFAOYSA-N 305.305 3.932 0 40 DHAB CSCc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 24968718 DUYWTEKYCIAHBJ-UHFFFAOYSA-N 304.440 3.747 0 40 DHAB COC(=O)c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 25052736 XZOIDGDEHZMXER-UHFFFAOYSA-N 320.348 3.516 0 40 DHAB CCOc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 28236841 LFSDSNMYQMYKSA-IBGZPJMESA-N 324.424 3.688 0 40 DHAB COc1ccc(CC(=O)NCCCc2ccccc2Cl)cc1 30849433 GXAQNYWMIDNJKE-UHFFFAOYSA-N 317.816 3.640 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1 30859474 VLMPFBNDOXHCCE-UHFFFAOYSA-N 311.381 3.661 0 40 DHAB CSc1ncc2c(n1)-c1ccccc1O[C@H]2N1CCCCC1 31872230 CBJBSWDHGYLNKE-MRXNPFEDSA-N 313.426 3.742 0 40 DHAB Cc1noc(C)c1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 32983514 JSTOIEHBGGATJZ-QMMMGPOBSA-N 312.291 3.801 0 40 DHAB C[C@@H]1CCCN(CCCNC(=O)CCc2ccc(Cl)cc2)C1 46960933 MIKABUNYWYRRTM-OAHLLOKOSA-N 322.880 3.511 0 40 DHAB CCCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 54562709 LLZJXXRLJNGAGD-UHFFFAOYSA-N 304.365 3.720 0 40 DHAB COc1ccc(NC(C)=O)c(NC(=O)c2cccc(Cl)c2)c1 56180078 RMHPHDLNMVIJOS-UHFFFAOYSA-N 318.760 3.559 0 40 DHAB O=C1Nc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 59213534 TTXVRQSPVUAFLX-UHFFFAOYSA-N 308.381 3.740 0 40 DHAB COc1ccc(N(C)C(=O)c2nc(C(C)C)cs2)cc1OC 69664217 PFMKDQOMYSWVIG-UHFFFAOYSA-N 320.414 3.560 0 40 DHAB Cc1ccc(-c2nc(CC(=O)Nc3ccsc3)cs2)o1 70007772 NLVKYHAWJAVXGS-UHFFFAOYSA-N 304.396 3.954 0 40 DHAB c1ccc2[nH]c(C3CCN(Cc4nnc(C5CC5)o4)CC3)cc2c1 71841185 VHRWJSZTRATMES-UHFFFAOYSA-N 322.412 3.808 0 40 DHAB CCN(Cc1ccoc1)C(=O)Nc1cnn(-c2ccccc2)c1 71921415 CRQZDZYOWHKKEP-UHFFFAOYSA-N 310.357 3.519 0 40 DHAB CCOc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72211815 XEILGBJANWHHRB-KRWDZBQOSA-N 310.397 3.848 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ncccc1C1=NCCCC1 72214809 LVZZWPNLWWEYKF-UHFFFAOYSA-N 303.406 3.816 0 40 DHAB CC(C)OC1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 72271254 VIABVKBXTMOYPT-SFHVURJKSA-N 301.430 3.523 0 40 DHAB Cc1cc(Br)ncc1NC(=O)/C=C/c1ccsc1 72306577 DCMLXNTXFATKAD-NSCUHMNNSA-N 323.215 3.866 0 40 DHAB C1=CC[C@H](CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)CC1 72395191 JGSZVWCSZFRMMG-YTQUADARSA-N 307.441 3.949 0 40 DHAB Cn1c(C(=O)Nc2ccc(F)c(F)c2F)cc2cc(F)ccc21 72404796 MGOGILGXYRBSNI-UHFFFAOYSA-N 322.261 3.987 0 40 DHAB Cc1noc(C)c1[C@@H](C)C(=O)Oc1cccc2c1CCCC2=O 78949082 JHWDXGRBMJWZDX-SNVBAGLBSA-N 313.353 3.520 0 40 DHAB C[C@H]1C[C@@H](NC(=O)C=C(C2CC2)C2CC2)CN1c1ccccc1 81192935 ULZFZGXERKRIAG-WMLDXEAASA-N 310.441 3.516 0 40 DHAB COc1ccc(NC(=O)c2ccc(NC3CC3)nc2)cc1Cl 83953103 SBLVRHMRDYUTBB-UHFFFAOYSA-N 317.776 3.570 0 40 DHAB Cc1ccccc1C1CCN(C(=O)NCCc2ccccn2)CC1 84235530 UPVFQYGJTOAEAK-UHFFFAOYSA-N 323.440 3.522 0 40 DHAB Cc1ccc([C@@H](C)NC(=O)NC(C)(C)c2nccs2)cc1F 88785846 YGZBCAMLQWCLOK-LLVKDONJSA-N 321.421 3.886 0 40 DHAB Cc1noc(C)c1CS(=O)(=O)CCC1C[C@H](C)C[C@@H](C)C1 89099550 VIQUUGZOICLNJP-VXGBXAGGSA-N 313.463 3.669 0 40 DHAB Cc1[nH]c2ccccc2c1[C@H]1CC(=O)N(c2ccccc2)C1=O 95351742 JMQRJDHCVIBKNS-OAHLLOKOSA-N 304.349 3.523 0 40 DHAB CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@H]3CC=CC[C@H]3C2)n1 95447213 ULVNSUXJPIOVAR-BETUJISGSA-N 323.387 3.515 0 40 DHAB CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2F)CC1 96314314 GNUHDAKKEDREMW-UHFFFAOYSA-N 314.788 3.536 0 40 DHAB O=C(O)CCc1ccc(NC(=O)c2cccc(F)c2Cl)cc1 97018917 JJHXSCJAALRYQB-UHFFFAOYSA-N 321.735 3.749 0 40 DHAB Cc1cc(O)n2nc(-c3ccsc3-n3c(C)ccc3C)cc2n1 100312391 ZUEIANXAXZFNTB-UHFFFAOYSA-N 324.409 3.879 0 40 DHAB C[C@@H](NC(=S)NCCc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101616591 VZCDYBHTQQUKMM-MWQQHZPXSA-N 302.487 3.518 0 40 DHAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccc(F)c2F)CCC1 102746155 OTRIZZMDPSLYSG-CYBMUJFWSA-N 318.283 3.583 0 40 DHAB CSc1ccc(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102956925 LUWOIMACUYDCNE-LNLFQRSKSA-N 316.514 3.715 0 40 DHAB CC(C)OC(=O)OCCC(F)(F)C(F)(F)Br 169795829 CFXMAVIUCYPMKA-UHFFFAOYSA-N 311.069 3.561 0 40 DHAB C[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccsc1 178404112 CSCSLHMXLNLJSP-VKJFTORMSA-N 315.486 3.704 0 40 DHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)cc2C)c1 198262246 ZUCLCWAOPOHZGV-CQSZACIVSA-N 313.397 3.812 0 40 DHAB CCOC(=O)Cc1cc(C(F)(F)F)ccc1C(F)(F)F 199816068 DGSNTJCCEIXTIA-UHFFFAOYSA-N 300.198 3.830 0 40 DHAB O=C1S/C(=C/c2ccccn2)C(=O)N1c1ccc(Cl)cc1 210202469 HHGFTDNHTPNVSQ-UKTHLTGXSA-N 316.769 3.976 0 40 DHAB CCc1ccc(CC(=O)Nc2cc(C(=O)OC)ccc2C)cc1 224574399 IPEFJLQAOKVPTD-UHFFFAOYSA-N 311.381 3.525 0 40 DHAB COc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1OC 226349596 UHMWOSZIBUFWRZ-UHFFFAOYSA-N 320.776 3.500 0 40 DHAB Cc1ncoc1CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 585137833 VXNVKDQHAJRKPK-NSHDSACASA-N 307.781 3.539 0 40 DHAB CC(=O)c1cc(C)ccc1OC(=O)c1cccc2nc(C)oc12 269565 RAUSWAQCIQFMPU-UHFFFAOYSA-N 309.321 3.866 0 40 DHAB Cc1cc(O[C@H](C)C(=O)O)c2c(-c3ccccc3)cc(=O)oc2c1 518546 HEYIRNNMPLLLID-GFCCVEGCSA-N 324.332 3.620 0 40 DHAB biogenic C[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccccc1 3851713 WRTZIZLYEBYQAJ-QAPCUYQASA-N 323.392 3.770 0 40 DHAB biogenic CCc1ccccc1NS(=O)(=O)c1cccc2cccnc12 3907545 JXFLCFAZIKVISG-UHFFFAOYSA-N 312.394 3.598 0 40 DHAB CC(C)(C)NC(=S)N[C@H]1C[C@H]2C[C@@H]1[C@H]1Cc3ccccc3[C@@H]12 4775368 UGPHHVPJAMOOPF-MNLARUNXSA-N 314.498 3.614 0 40 DHAB Cc1cc(C)c(-c2csc(NC(=O)c3cnccn3)n2)cc1C 6201675 OVMDJVQWBSGWPA-UHFFFAOYSA-N 324.409 3.778 0 40 DHAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OC 6355881 LELRCBGRJFNWAZ-AHEVQNHNSA-N 321.398 3.539 0 40 DHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1 6495846 ZNRRMQWQGKBLTA-UHFFFAOYSA-N 324.361 3.791 0 40 DHAB CC[C@H](C)NS(=O)(=O)c1ccc(Oc2ccc(C)cc2)cc1 6934983 YEXNFBBNQFLJDL-AWEZNQCLSA-N 319.426 3.864 0 40 DHAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(F)cc1 7278658 BMBBGFICGQSIOT-UHFFFAOYSA-N 315.388 3.818 0 40 DHAB O=C(OCc1nc2ccccc2s1)c1cnc2ccccc2n1 7512058 BHKVJNGBQXTGRX-UHFFFAOYSA-N 321.361 3.597 0 40 DHAB COc1ccc(CC(=O)Nc2nc3ccc(F)cc3s2)cc1 7614191 WPWMVMZWJQOMRD-UHFFFAOYSA-N 316.357 3.625 0 40 DHAB Cc1ccc([C@@H](NC(=O)c2ccccn2)c2ccccc2)cc1 9049867 QPSXIYOLWSPKLA-IBGZPJMESA-N 302.377 3.909 0 40 DHAB CC[C@H](C)C(=O)Nc1nnc(CSc2ccccc2)s1 9196803 DBRMEXDNBNETAX-JTQLQIEISA-N 307.444 3.815 0 40 DHAB C[C@]1(C2CC2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 9389335 LHSIYTBGIKHMJU-HXUWFJFHSA-N 320.392 3.574 0 40 DHAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 9827750 HMTDQUVZMDBIPW-UHFFFAOYSA-N 324.380 3.611 0 40 DHAB Cc1ccc(C(C)C)c(OC[C@@H](O)CNC2CCCCC2)c1 9970625 PXSXERKKHNSNOZ-KRWDZBQOSA-N 305.462 3.780 0 40 DHAB CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(F)cc1 11613852 DVZUOYLOQGHHDW-UHFFFAOYSA-N 323.389 3.642 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)N[C@H](C)c1ccc(F)cc1 11710323 HMEFLRCMCUNUSM-NEPJUHHUSA-N 304.390 3.579 0 40 DHAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccccc1F 11913749 YWYRYFRLNCMEQT-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB O=C(CCc1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 12390063 RYIRULVLQSQMGD-UHFFFAOYSA-N 322.383 3.825 0 40 DHAB O=C(Nc1nc(-c2cccnc2)cs1)c1c(F)cccc1F 12545215 ZXJQMVNQEXVJTN-UHFFFAOYSA-N 317.320 3.736 0 40 DHAB O=C(NC1CCC(O)CC1)c1ccc(-c2ccc(Cl)cc2)o1 13009764 WDSYWQOXHOWHET-UHFFFAOYSA-N 319.788 3.633 0 40 DHAB Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@H]2C(C)C)cc1 13381823 HRSUJLDSSMFIOV-DOTOQJQBSA-N 320.458 3.570 0 40 DHAB COc1ccc(C)cc1NC(=S)Nc1ccc2c(c1)OCO2 13790660 MUZGXPYHEBRFRE-UHFFFAOYSA-N 316.382 3.541 0 40 DHAB COc1cccc(C(=O)N(C)Cc2nc3ccccc3s2)c1 14180729 MVYMEEFIANEPEO-UHFFFAOYSA-N 312.394 3.577 0 40 DHAB CCN(CC)C(=O)c1sc2nc(-c3ccccc3)cn2c1C 16740394 FTUDDBFXCJAUFB-UHFFFAOYSA-N 313.426 3.853 0 40 DHAB CC[C@@H]1CCCCN1C(=O)c1ccccc1SCCOC 17031626 RSWORDWWYNHWPI-CQSZACIVSA-N 307.459 3.830 0 40 DHAB CC(C)C[C@@H](CNCc1cc(Br)cs1)N(C)C 20475169 NUFJTYTWRVJGHP-LBPRGKRZSA-N 319.312 3.577 0 40 DHAB CCc1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 21559666 XSJKEPNCQLNAPP-QGZVFWFLSA-N 324.424 3.655 0 40 DHAB CN1C(=O)Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 22506638 PAUXPFZFUAEBPT-UHFFFAOYSA-N 315.760 3.503 0 40 DHAB COc1cc(Cl)c(NC(=O)CCc2ccco2)cc1OC 23054208 YNOFIRCOVNWTIJ-UHFFFAOYSA-N 309.749 3.522 0 40 DHAB Cc1ccoc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 24694161 WUTPQPJZNRDJHL-CYBMUJFWSA-N 310.353 3.749 0 40 DHAB Cc1ccccc1CC(=O)NCCc1ccc(OC(C)C)cc1 25887162 NIFAFTJYMDEIKC-UHFFFAOYSA-N 311.425 3.684 0 40 DHAB COc1cccc(/C=C2\Sc3ccccc3NC2=O)c1OC 26894403 IORRUNSEOPKGEV-GDNBJRDFSA-N 313.378 3.789 0 40 DHAB Cc1ccc(Cn2cc(NC(=O)c3cc(C)oc3C)cn2)cc1 27920010 OOWALEKXPIRUMP-UHFFFAOYSA-N 309.369 3.702 0 40 DHAB O=C(c1cnn(-c2ccccc2F)c1)c1cc(Cl)ccc1O 28740773 WQSQNUILEWGRIM-UHFFFAOYSA-N 316.719 3.601 0 40 DHAB CCNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 40488197 ILWRHUMBSXSLIW-UHFFFAOYSA-N 314.332 3.508 0 40 DHAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccnn1C(C)C 40511969 MGPYCENALPHLJP-UHFFFAOYSA-N 316.386 3.741 0 40 DHAB Cc1nc(C)c2c(C)c(C(=O)NC(C3CC3)C3CC3)sc2n1 44228483 UBBVHJDZJGHKCZ-UHFFFAOYSA-N 315.442 3.535 0 40 DHAB CCCN(CCC)C(=O)Nc1ccccc1Cn1cccn1 44935743 AWGHIYDPVPEDKI-UHFFFAOYSA-N 300.406 3.585 0 40 DHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)c1 45145490 LUTBXJOTGXXEPU-CYBMUJFWSA-N 303.789 3.732 0 40 DHAB COc1cccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 49169062 XHBOHZSQUGXLGX-HNNXBMFYSA-N 307.397 3.561 0 40 DHAB biogenic,in-vitro CS[C@@H](C)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 53406353 IVJZZQKOMMJLKG-NSHDSACASA-N 318.417 3.674 0 40 DHAB O=C(NCCc1cccs1)c1cc2cc(Cl)ccc2[nH]1 57416215 JEBQVUMZXBBNIN-UHFFFAOYSA-N 304.802 3.855 0 40 DHAB C[C@H](C(=O)N1CCCCCC1)N(C)Cc1ccccc1Cl 57991544 NHDCFAZGTFCQTP-CQSZACIVSA-N 308.853 3.563 0 40 DHAB COc1cccc(C[S@@](=O)CCCOc2ccc(F)cc2)c1 58198176 XUPIPKABQKBSEJ-JOCHJYFZSA-N 322.401 3.552 0 40 DHAB CCc1ccsc1C(=O)Nc1cc(F)c(F)cc1NC(C)=O 60351857 WZAPPHUCYTVNQS-UHFFFAOYSA-N 324.352 3.799 0 40 DHAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccccc1 63790257 YCXXBBMFJWTDQP-CQSZACIVSA-N 300.427 3.749 0 40 DHAB CN(C)C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCCC1 69461778 SANBUILDXBSWJW-UHFFFAOYSA-N 315.244 3.598 0 40 DHAB CCCCc1nc(CN2CCC[C@H]2c2cnn(C)c2)cs1 69819538 AUDUFYXPXMBEEJ-HNNXBMFYSA-N 304.463 3.556 0 40 DHAB C[C@H]1CN(c2ccc(Nc3nc4ccccc4o3)cn2)C[C@H](C)O1 70039824 NKXPCIUXAWDPAJ-STQMWFEESA-N 324.384 3.580 0 40 DHAB CC[C@@](C)(NCc1cccc(NC(C)=O)c1)c1nccs1 72683648 TUDFMYHDCVAJIW-MRXNPFEDSA-N 303.431 3.517 0 40 DHAB Brc1ccc(C2(NCc3cccnc3)CC2)cc1 76399654 XGPCKUSYXRPFDA-UHFFFAOYSA-N 303.203 3.623 0 40 DHAB CCSc1ccc(Cl)cc1C(=O)NC[C@H](C)C[C@H](C)O 84301811 WFIPATHMMXZWDC-MNOVXSKESA-N 315.866 3.589 0 40 DHAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 89363648 LMVSIGIBTYZXBA-VQTJNVASSA-N 316.404 3.997 0 40 DHAB O=C(NCc1cccnc1)[C@H]1C[C@@H]1c1cccc2ccccc12 89873206 XKVHTAJLJLKICM-MOPGFXCFSA-N 302.377 3.655 0 40 DHAB COc1ccc(-c2noc([C@H]3C[C@@H]3c3ccco3)n2)c(OC)c1 95396894 OBKOPCPMCCYZIZ-STQMWFEESA-N 312.325 3.618 0 40 DHAB C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@H]1c1ccncc1 95414605 FTXKCIOZKCNOMR-QAPCUYQASA-N 316.445 3.873 0 40 DHAB CC(C)(C)OC(=O)NCc1cccc(NCc2cscn2)c1 95428807 NXVMKTKLMINYEF-UHFFFAOYSA-N 319.430 3.780 0 40 DHAB FC(F)(F)c1ccc(OCCC2OCCCO2)c(Cl)c1 95733748 ADXJLNZDRYTDEZ-UHFFFAOYSA-N 310.699 3.891 0 40 DHAB COc1cc(C)c([S@](=O)Cc2c(C)cccc2C)cc1OC 95960724 VEIKAGJIVQKAPH-QFIPXVFZSA-N 318.438 3.937 0 40 DHAB COc1ccc([S@](=O)Cc2ncc(Cl)cc2Cl)cc1 97094855 CWJMJZVCBWINBM-IBGZPJMESA-N 316.209 3.705 0 40 DHAB CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2 100080094 MNJNPLVXBISNSX-CHWSQXEVSA-N 314.212 3.775 0 40 DHAB in-vitro CCOc1ccc([C@@H]2CCCN2C(=O)c2cscn2)cc1 102979473 UXKVGBZGAAXTFT-HNNXBMFYSA-N 302.399 3.519 0 40 DHAB Cc1cc(NC(=O)CSc2ccoc2C)n(C(C)(C)C)n1 131462349 KAIDMZKWEBQNGO-UHFFFAOYSA-N 307.419 3.579 0 40 DHAB CC[C@]1(C)Oc2ccc(NC(=O)CCc3ccccn3)cc2O1 135262633 CBVWLPDZWPBJKN-GOSISDBHSA-N 312.369 3.550 0 40 DHAB CC[C@@H](C)NC(=O)CSCc1ccccc1Br 185334526 DOVSLIRUGFDYBB-SNVBAGLBSA-N 316.264 3.597 0 40 DHAB CCNC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1C 225473679 ZAHXTXBINIYBDH-UHFFFAOYSA-N 303.793 3.724 0 40 DHAB CC(C)n1ncc2c(C(=O)O)cc(/C=C/c3ccccc3)nc21 247963449 ARIYLCDUMHOBQW-CMDGGOBGSA-N 307.353 3.881 0 40 DHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251206270 IHLZCRDMLLYZEF-DDHJSBNISA-N 307.821 3.802 0 40 DHAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1cccc(N)c1)C2 252492445 MMMHWQRJJCWUKK-KBPBESRZSA-N 318.417 3.578 0 40 DHAB CO[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)CC1(C)C 517217455 RTXHMYOROSMVFC-OAHLLOKOSA-N 309.837 3.546 0 40 DHAB CN(c1ccccn1)C1CCN(Cc2ccccc2Cl)CC1 1889136029 AZUKHENPUZWZIF-UHFFFAOYSA-N 315.848 3.836 0 40 DHAB Cc1cnccc1O[C@H]1CCN(c2nc3ccccc3s2)C1 2080936071 GNSYVMHVAYSFHY-ZDUSSCGKSA-N 311.410 3.657 0 40 DHAB Cc1ccccc1[C@@H]1C[C@@H](c2ccc(F)cc2)Nc2ncnn21 222999 FAEPNAPTSCFVQQ-IRXDYDNUSA-N 308.360 3.872 0 40 DHAB Cc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 281035 YCOOYUVLTVBYBY-UHFFFAOYSA-N 314.410 3.859 0 40 DHAB COc1ccc2nc(C)cc(SCC(=O)OC(C)C)c2c1 420943 BRSBUYKGVDCCGF-UHFFFAOYSA-N 305.399 3.596 0 40 DHAB COC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl 457901 PIUHIERTAPWTQY-UHFFFAOYSA-N 303.745 3.687 0 40 DHAB CC(=O)N1CCO[C@@H]1c1sc(Cl)c(Cl)c1Cl 523301 AMCGHVKUKGHZLM-SECBINFHSA-N 300.594 3.586 0 40 DHAB COc1ccc2ccccc2c1[S@](=O)NCc1cccs1 1402601 JDAQFORFFLDKHA-OAQYLSRUSA-N 317.435 3.722 0 40 DHAB Cc1ccc(C(=O)c2cccc(CN3CCSCC3)c2)cc1 2515270 CKHGSSYIUKJBHX-UHFFFAOYSA-N 311.450 3.775 0 40 DHAB COc1ccc(NC(=O)CNc2ccc(F)cc2Cl)cc1 3285322 HHBLYPHUMAAUSJ-UHFFFAOYSA-N 308.740 3.538 0 40 DHAB COc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1 4511849 RRPSRQHLLCRCPG-UHFFFAOYSA-N 314.395 3.590 0 40 DHAB C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NCc1cccnc1 5249603 YOGMQUBAEAYSMA-RKVPGOIHSA-N 300.446 3.757 0 40 DHAB O=C(CSc1nc2ncccc2[nH]1)c1ccc(Cl)cc1 5460260 YBZKMVVLKLJPIH-UHFFFAOYSA-N 303.774 3.586 0 40 DHAB CCN(CC)[C@@H](Cc1ccccc1)c1ccc(OCCO)cc1 6384804 NKQCZMPDNOVGMO-FQEVSTJZSA-N 313.441 3.683 0 40 DHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)c(OC)c1OC 6788092 CBECBDPMNRMPBU-UHFFFAOYSA-N 321.760 3.618 0 40 DHAB COc1ccc(NC(=O)c2cc(F)ccc2Br)cc1 7917469 CNAMOPJUKYZQNX-UHFFFAOYSA-N 324.149 3.849 0 40 DHAB COc1ccc(C(=O)COc2ccc(F)c(Cl)c2)cc1OC 7987680 CVFYQQFABUITDU-UHFFFAOYSA-N 324.735 3.758 0 40 DHAB Cc1cc(C(=O)OCCOc2ccccc2)c2ccccc2n1 8038154 ITNBNIUSZMUGPG-UHFFFAOYSA-N 307.349 3.779 0 40 DHAB CC(C)[C@H](NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 8062002 VTMBNICVURUTDJ-SFHVURJKSA-N 311.381 3.585 0 40 DHAB Cc1nc(COc2ccc(C(=O)NC3CCCC3)cc2)cs1 8076319 SSJPBQDKDTZMPH-UHFFFAOYSA-N 316.426 3.703 0 40 DHAB Cc1ccc(F)c(NC(=O)COC(=O)c2cccc(Cl)c2)c1 8369941 RNYZEDVSNCCRNT-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1O 8382760 LVSLKZXRVKYXDF-NSHDSACASA-N 305.761 3.760 0 40 DHAB CC(=O)Nc1ccccc1OCc1cc(-c2cccs2)on1 9688312 BNOANWLORIRVCV-UHFFFAOYSA-N 314.366 3.941 0 40 DHAB CCCOc1ccc2cc(S(=O)(=O)N[C@@H](C)CC)ccc2c1 11614071 JTPCRUFRCVOTSP-ZDUSSCGKSA-N 321.442 3.705 0 40 DHAB CCCCc1nc2ccccc2n1CC(=O)NC1CCCCC1 12520504 HNAAZVVGNOZZQD-UHFFFAOYSA-N 313.445 3.828 0 40 DHAB Cc1ccc(-c2nnc(SCCc3ccccn3)n2C)cc1 12533886 WSSBNXYSVLLOPV-UHFFFAOYSA-N 310.426 3.520 0 40 DHAB CCOc1ccc([C@H](C)NC(=O)NCc2ccccc2F)cc1 12751651 YZRJUWZJQXKJHQ-ZDUSSCGKSA-N 316.376 3.785 0 40 DHAB COc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 13141582 XWOJNNBQCAPJOC-UHFFFAOYSA-N 314.366 3.974 0 40 DHAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 13931560 IIXPBYRXQZGRNE-CQSZACIVSA-N 314.410 3.853 0 40 DHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1C 13939384 PEJBDZFSFBWAPC-ZBEGNZNMSA-N 309.475 3.777 0 40 DHAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc1F 15554255 HZODOUPBAHPGAY-FROQITRMSA-N 311.356 3.825 0 40 DHAB Cc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1-c1ccccc1 18009003 IKYYKCNVMQCPCN-UHFFFAOYSA-N 301.349 3.665 0 40 DHAB Cc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)n1 19236350 MAPRUPBOQIPHJA-OAHLLOKOSA-N 315.467 3.982 0 40 DHAB CCCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1OC 20136636 YEIPPFNSBJSJSQ-UHFFFAOYSA-N 317.385 3.966 0 40 DHAB Cc1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)O 20156547 LIJJXJYEHHGZAN-UHFFFAOYSA-N 302.277 3.912 0 40 DHAB O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 22054500 IMKILIAPBKFUTO-UHFFFAOYSA-N 321.163 3.935 0 40 DHAB in-vitro CCCCc1nnc(NC(=O)c2cc3cc(F)ccc3[nH]2)s1 23024556 NYAZMQZEBMVTSX-UHFFFAOYSA-N 318.377 3.753 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-n2ccnc2)cc1 23889626 TZHPDKNPMOOQFO-UHFFFAOYSA-N 311.772 3.707 0 40 DHAB CCCC(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28230094 ZTAOZCUBJUUZPK-UHFFFAOYSA-N 311.307 3.689 0 40 DHAB CC[C@@H](C)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 33548374 ZJMYLQZBOPBOTI-CQSZACIVSA-N 320.392 3.704 0 40 DHAB C1=CC2(CCNCC2)Oc2cc(OCc3ccccc3)ccc21 36141433 VUNMVDQDYCTZSU-UHFFFAOYSA-N 307.393 3.793 0 40 DHAB CCCNC(=O)Nc1sc2c(c1C(=O)OCC)[C@@H](C)CCC2 36646044 YXWORNBWAPYZMN-JTQLQIEISA-N 324.446 3.896 0 40 DHAB O=C1NC(=O)c2ccccc2/C1=C\c1ccc(C(F)(F)F)cc1 40009548 KAKZTHBUYPEQSE-NTEUORMPSA-N 317.266 3.516 0 40 DHAB Cc1ccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1C 40095469 LLHNPHJYVPOPND-MRXNPFEDSA-N 318.804 3.812 0 40 DHAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(N(C)C)cc1 40162158 BBDMDUBTPIIAHL-UHFFFAOYSA-N 308.834 3.740 0 40 DHAB O=C(CC[C@H]1CCCO1)Nc1nc2ccc(Cl)cc2s1 46126870 RVFIZVDSQXDXRC-SNVBAGLBSA-N 310.806 3.847 0 40 DHAB C[C@H](CCc1ccco1)NC(=O)CCc1c[nH]c2ccccc12 48237536 DHCZHWFCUMPLNP-CQSZACIVSA-N 310.397 3.831 0 40 DHAB CCCOc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1 51784976 FOJWYLNIZZTAFO-UHFFFAOYSA-N 304.777 3.963 0 40 DHAB Oc1ccc(-c2n[nH]c(Nc3cccc(C(F)(F)F)c3)n2)cc1 51943291 LCMJKGUSNHOMHL-UHFFFAOYSA-N 320.274 3.940 0 40 DHAB Cc1cc(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)no1 56330049 BWUWLWVLOZQCHH-UHFFFAOYSA-N 313.279 3.666 0 40 DHAB CN(CCOc1ccccc1)c1ccnc(-c2ccccc2)n1 58296524 GIALXPNBUAZCRX-UHFFFAOYSA-N 305.381 3.659 0 40 DHAB C[C@@H]1CN(c2ncnc3cccc(F)c23)C[C@H](c2ccccc2)O1 67905157 NHDMPBDABLEMDM-CXAGYDPISA-N 323.371 3.735 0 40 DHAB C[C@@H](Sc1nccn1C1CC1)C(=O)c1cc(F)ccc1F 69600536 RYGZNBBHJOIPRH-SECBINFHSA-N 308.353 3.860 0 40 DHAB Cc1c(NC(=O)N[C@@H](C)c2ccncc2)cccc1OC(F)F 72083580 YPPCJCMNSXIAKG-NSHDSACASA-N 321.327 3.874 0 40 DHAB Cc1cc(CN(C[C@H](C)O)c2ccccc2)c2ccccc2n1 74353631 WFTFBCJZBDHVSO-INIZCTEOSA-N 306.409 3.931 0 40 DHAB CCc1cc(OCc2occc2C(=O)OC)c2ccccc2n1 89282790 OUIPTYZOIBRNBJ-UHFFFAOYSA-N 311.337 3.756 0 40 DHAB FC(F)(F)[C@H](Cc1ccccc1)NC1Cc2ccccc2C1 90456198 LCKVAIDGYYJJJO-KRWDZBQOSA-N 305.343 3.917 0 40 DHAB Cc1cc(NC(=O)NCc2ccc(C)nc2)c2ncccc2c1 92147169 WRWVQHOYUUHJKS-UHFFFAOYSA-N 306.369 3.568 0 40 DHAB C[C@@H](NCc1ccccc1OCCO)c1cc2ccccc2o1 95423123 MGRRBOOXDIUZEJ-CQSZACIVSA-N 311.381 3.655 0 40 DHAB COc1ccc([C@@H](OC)[C@@H](C)NCc2ccccc2OC)cc1 95459059 ULAXSTQSVWGPCE-KUHUBIRLSA-N 315.413 3.570 0 40 DHAB Cc1ccc(NC(=O)N2CCCCC[C@H]2c2noc(C)n2)cc1 95998852 JQPFTRXKSIQJJC-HNNXBMFYSA-N 314.389 3.836 0 40 DHAB CC[C@@H](C(=O)NC[C@@H](OC)c1ccccc1C)c1ccccc1 96104955 NOSDNPNNVYEAKY-IEBWSBKVSA-N 311.425 3.993 0 40 DHAB Cc1nc(C)c(CN[C@@H](C)C[C@H](O)c2ccc(F)cc2)s1 96486372 ZATPWJOVCLIQBD-BONVTDFDSA-N 308.422 3.501 0 40 DHAB Cc1cc(OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)ccc1Cl 100280600 IJIYLATWTIZDHQ-IRXDYDNUSA-N 322.788 3.676 0 40 DHAB Cc1cc(-n2ccnc2)ccc1CN(C)[C@H](C)c1ccccn1 192135490 DVGRNXNBNLRHNZ-MRXNPFEDSA-N 306.413 3.769 0 40 DHAB O=C(/C=C/c1ccco1)N(Cc1cccs1)C1CCOCC1 207961190 LHYOWVCLPNJJJG-AATRIKPKSA-N 317.410 3.562 0 40 DHAB COc1ccc(OC)c(NC(=O)Cc2ccc(Cl)cc2F)c1 224897435 JHSOUZRINMMYEU-UHFFFAOYSA-N 323.751 3.678 0 40 DHAB O=C(NCc1cccnc1-c1cccnc1)c1cccc(Cl)c1 225643157 BTIVQLMIPOIMPC-UHFFFAOYSA-N 323.783 3.727 0 40 DHAB CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)C)cc1C(=O)OC 225784831 ZSWQUTYILBLTFD-LLVKDONJSA-N 307.390 3.635 0 40 DHAB CN(C)c1ccc(N)cc1NC(=O)c1cc(Cl)ccc1Cl 226261305 PGJNOWCGAPMOJJ-UHFFFAOYSA-N 324.211 3.894 0 40 DHAB CNc1cc([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)ccn1 257329973 XMFWRSBLQGFABJ-QGZVFWFLSA-N 321.424 3.519 0 40 DHAB CSc1cccc(NC(=O)N(C)CCCN2CCCC2)c1C 281964337 NJAHKBLYEZIEMA-UHFFFAOYSA-N 321.490 3.667 0 40 DHAB OCC[C@@H](NCc1ncccc1Cl)c1ccc(Cl)cc1 528505608 RUHOAUCILRZCDC-CQSZACIVSA-N 311.212 3.602 0 40 DHAB C[C@H]1CC(F)(F)CCN1Cc1ccc2oc(C(=O)O)cc2c1 530172632 KCZYHIIGFRZZIA-JTQLQIEISA-N 309.312 3.751 0 40 DHAB Cc1cc(C)c(C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)c(C)c1 1772714796 WKBDGJNQXAHTKJ-AWEZNQCLSA-N 321.417 3.522 0 40 DHAB Nc1cc2c(cc1Br)-c1ccc(Cl)cc1C2=O 1609852 ARGLBUUBKVQXBS-UHFFFAOYSA-N 308.562 3.896 0 40 DHAB CN(C)c1ccc2c(c1)C(=O)c1cc(Br)ccc1-2 1692043 VVURLPPOKLYTEI-UHFFFAOYSA-N 302.171 3.727 0 40 DHAB COc1ccc(CCNCCc2c[nH]c3ccccc23)cc1OC 3109450 DDJOXHALAFFLMR-UHFFFAOYSA-N 324.424 3.560 0 40 DHAB CCOc1cc(-c2noc(-c3cccs3)n2)ccc1OC 4433630 RFDKCJXKBVUBSY-UHFFFAOYSA-N 302.355 3.872 0 40 DHAB CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=N)o1 4709658 VHVBZMYQNGVFQN-UHFFFAOYSA-N 317.414 3.714 0 40 DHAB CCn1c(C)c(C(=O)NCc2ccccc2)c2cc(OC)ccc21 5349108 HQAAFUZJOUVLEL-UHFFFAOYSA-N 322.408 3.908 0 40 DHAB O=C(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCCC1 6242344 MTTILPRKTAAVHB-UHFFFAOYSA-N 317.392 3.775 0 40 DHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCc2ccccc2C1 6609413 GTJZJLVXGNLTND-ZDUSSCGKSA-N 314.816 3.725 0 40 DHAB [O-][n+]1c2c(n(O)c1-c1ccc(F)cc1)-c1cccc3cccc-2c13 6926796 AKPRSEPSIHUKND-UHFFFAOYSA-N 318.307 3.966 0 40 DHAB COc1ccc(C(=O)N(C)Cc2ccc(C)cc2C)cc1OC 8097396 MPUJLUHSRSSMLV-UHFFFAOYSA-N 313.397 3.593 0 40 DHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC(C)C)cccc2c1=O 8395268 INDCWQCYDFPGMS-UHFFFAOYSA-N 321.376 3.907 0 40 DHAB C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 8497927 HEYYIYIRJMJLED-LBPRGKRZSA-N 323.795 3.529 0 40 DHAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc(OC(F)F)cc1 8728725 NPILPYZRQSFIKI-JTQLQIEISA-N 324.352 3.802 0 40 DHAB CCC(CC)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 8734558 FNEUVJXKCACNRA-UHFFFAOYSA-N 322.405 3.878 0 40 DHAB O=c1c2ccccc2ncn1CCCCSc1ccccc1 8749869 IHMNGIFPKGAABY-UHFFFAOYSA-N 310.422 3.969 0 40 DHAB Clc1ccccc1OCCSC1=N[C@@H]2CCCC[C@H]2N1 9691498 LKQMLYXTQLNVRS-CHWSQXEVSA-N 310.850 3.722 0 40 DHAB Cc1ccc(NC(=O)[C@H](Nc2ccn(C)n2)c2ccccc2)cc1 10752241 JCBWSQIHOHQROK-GOSISDBHSA-N 320.396 3.520 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 12168239 UMSVJHZUNAVAHG-UHFFFAOYSA-N 324.380 3.567 0 40 DHAB CC1(C)Oc2ccccc2O[C@]1(O)c1ccc2ccccc2n1 12595024 BRSRMBIRKVDRSC-LJQANCHMSA-N 307.349 3.630 0 40 DHAB C[C@H](NC(=O)CN(C)Cc1ccccc1Cl)c1cccs1 12785418 JBVUKXRCGOHVFU-LBPRGKRZSA-N 322.861 3.711 0 40 DHAB O[C@@H](CN1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1 13005605 XCINSJOBIPZONT-NRFANRHFSA-N 318.420 3.991 0 40 DHAB Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1 13583647 FAKNYSRJFRSEFB-UHFFFAOYSA-N 320.142 3.977 0 40 DHAB CCc1ccc(S(=O)(=O)N2CCCc3cc(C)ccc32)cc1 14232181 PPLPPAWEPBAMHJ-UHFFFAOYSA-N 315.438 3.699 0 40 DHAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1Cl 16082885 IDICLIGALZTBJB-CVEARBPZSA-N 315.800 3.640 0 40 DHAB CCc1ccccc1Oc1cc(C)nc2nc(C(F)(F)F)nn12 26691118 VAKHHIMVWOMOGK-UHFFFAOYSA-N 322.290 3.806 0 40 DHAB Cc1cc(CSCC(=O)Nc2ccc(F)cc2Cl)no1 27190413 OLKDCKRTXIYZMV-UHFFFAOYSA-N 314.769 3.647 0 40 DHAB O=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1ccc(O)cc1 27533605 JSKXFVGQQSRPDX-GSPDUGTFSA-N 313.334 3.782 0 40 DHAB CCOC(=O)c1ccc(C(C)C)c(I)c1 39951765 BFJVARACMISZLG-UHFFFAOYSA-N 318.154 3.591 0 40 DHAB CC(C)NC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1 40081750 URCPPPWXCITBCW-UHFFFAOYSA-N 315.348 3.608 0 40 DHAB CC(C)CO[C@H](C)C(=O)N[C@H](C)c1ccccc1OC(C)C 40121688 QVBUGGNSDPJJRZ-HUUCEWRRSA-N 307.434 3.712 0 40 DHAB O=C(NCc1ccsc1-n1cccc1)c1cccc(F)c1 40155035 COEJIGOBXKLWJK-UHFFFAOYSA-N 300.358 3.608 0 40 DHAB CCOc1ccc(C(=O)NCCSCc2ccccc2)cc1 41008006 BUCWXRATNFNLNK-UHFFFAOYSA-N 315.438 3.749 0 40 DHAB CC(C)CCC(=O)NCc1ccc(CN2CCC(C)CC2)cc1 48288703 SNPWWFUHIOHFID-UHFFFAOYSA-N 316.489 3.971 0 40 DHAB O=C(CCSc1ccccn1)NCc1ccccc1Cl 48399501 FKCYJHYTWQHWLU-UHFFFAOYSA-N 306.818 3.534 0 40 DHAB Cc1ccnc(NC(=O)c2cccc(Oc3ccc(C)nn3)c2)c1 56906648 GIJAACGSYJNFBO-UHFFFAOYSA-N 320.352 3.533 0 40 DHAB Cc1ccc(CNC(=O)c2ccc(-n3nccc3C)cc2)c(C)c1 58689596 GIUWUWSOJKEMIY-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccccc1F 63790279 VQDRMFRZWKBZCQ-ZDUSSCGKSA-N 318.417 3.888 0 40 DHAB Cc1cc(C)n(C[C@H](C)n2ccnc2-c2ccnc(C(C)C)n2)n1 71754528 DJDMWKSEPXGHDU-HNNXBMFYSA-N 324.432 3.538 0 40 DHAB COCc1nc(C(=O)N2CCC[C@H]2c2cccc(C)c2)cs1 71830965 PLLUUPORGLZAKS-HNNXBMFYSA-N 316.426 3.575 0 40 DHAB CCc1ccc([C@H](C)NS(=O)(=O)CC2CCCCC2)cc1 72230393 DEGRVLOTPCJTIM-AWEZNQCLSA-N 309.475 3.810 0 40 DHAB Fc1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccccc3)C2)cc1 72395171 BBOINKRJODLLQO-RBUKOAKNSA-N 321.399 3.932 0 40 DHAB CC[C@@H](NC(=O)N(C)CCc1cccs1)c1nc(C)cs1 78952763 VYUSUOOTGQWYJI-CYBMUJFWSA-N 323.487 3.848 0 40 DHAB CN(C)Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 83851229 CPTZEABRFZNKFQ-UHFFFAOYSA-N 300.427 3.551 0 40 DHAB Cc1cc(C)c(C(=O)N[C@H](C)Cc2c(C)noc2C)c(C)c1 90602633 FYLCPSVRZQKCAG-CYBMUJFWSA-N 300.402 3.578 0 40 DHAB CCCC[S@](=O)Cc1cnc(-c2ccc(Cl)cc2)nc1 95414489 FLASLZQMIZNMKB-HXUWFJFHSA-N 308.834 3.846 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc3ccccc3c2)C1 95533130 ZIFHGHPZOZPZEN-MDZRGWNJSA-N 313.441 3.557 0 40 DHAB Cc1ccc(C(=O)[C@@H]2CN(C)C[C@@H]2C(=O)c2ccc(C)cc2)cc1 95932276 DHOWIUDKAWCXFP-KDURUIRLSA-N 321.420 3.547 0 40 DHAB Cc1c(CSC(C)C)cccc1NC(=O)c1cnccn1 96425419 KZHTXHPLUZFLLE-UHFFFAOYSA-N 301.415 3.679 0 40 DHAB Fc1ccccc1-c1c[nH]c([C@H]2CCCN2Cc2cccnc2)n1 97020540 MROZQSWIWCKLEV-GOSISDBHSA-N 322.387 3.948 0 40 DHAB Cc1cccc(Cl)c1NC(=O)NCCc1c(C)noc1C 97161894 XGBDWMZBUHRVHA-UHFFFAOYSA-N 307.781 3.617 0 40 DHAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccccc1 100753008 VGVPAIMZXLCLBI-RWQQGDIJSA-N 319.404 3.869 0 40 DHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(F)c1 113942741 ZJBGLPMGBXLRLL-INIZCTEOSA-N 321.323 3.770 0 40 DHAB Nc1cc(Br)c(OC(F)(F)F)c(C(F)(F)F)c1 169801821 SQTYBTONABLOAM-UHFFFAOYSA-N 324.018 3.949 0 40 DHAB O=C(OCc1ccccc1)c1snnc1-c1cccs1 223846731 UMOSYWKTUKIWDX-UHFFFAOYSA-N 302.380 3.624 0 40 DHAB CNC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224200881 NZYSVLSIWKLPSY-UHFFFAOYSA-N 319.788 3.596 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 224608192 XNQNSYIODLLVLB-OAHLLOKOSA-N 313.397 3.856 0 40 DHAB Nc1ccc(NC2CCCCCCC2)c(C(=O)NC2CC2)c1 225496443 BUSSTBHFRDDBEV-UHFFFAOYSA-N 301.434 3.686 0 40 DHAB CCc1nc2ccccc2c(N2CCC(n3cncn3)CC2)c1C 252498595 RFRXZJOBBYJDSO-UHFFFAOYSA-N 321.428 3.539 0 40 DHAB Cc1ccc(CN2CCn3c(-c4cccs4)cnc3C2)s1 306135605 OVUSIVAMTXXQRS-UHFFFAOYSA-N 315.467 3.997 0 40 DHAB COc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1O 409110366 VICZFPRFDVDVDE-YBEGLDIGSA-N 323.392 3.944 0 40 DHAB C[C@@H]1CN(c2ncnc3sc4c(c23)CCCCC4)C[C@@H](C)O1 89260 JDNUFBBLJXJDNS-VXGBXAGGSA-N 317.458 3.574 0 40 DHAB CC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 487926 UCMILQIHQGWDNJ-UHFFFAOYSA-N 310.305 3.819 0 40 DHAB Cc1cc(C)c2c([C@@H]3Oc4ccccc4[C@@H]3O)cc(=O)oc2c1C 490058 LWUSYRIVKKUHAD-ICSRJNTNSA-N 322.360 3.885 0 40 DHAB biogenic CC1(C)[C@]2(C(=O)Nc3cc(F)ccc3F)CC[C@@]1(C)C(=O)C2 1432755 YKHCTGYPQZAKSW-DLBZAZTESA-N 307.340 3.689 0 40 DHAB Cc1nc2nc(NCc3ccc(Cl)cc3)nn2c(C)c1Cl 2359835 VYUSJMQSTHIJHH-UHFFFAOYSA-N 322.199 3.660 0 40 DHAB O=C(COc1ccccc1)Nc1nnc(C2CCCCC2)s1 2402466 AKPZSVHMYKBZPX-UHFFFAOYSA-N 317.414 3.603 0 40 DHAB CCCC[C@@H](CC)CNC(=O)c1cc(OC)c(OC)c(OC)c1 3069677 AKAURMWIUDFUKN-CYBMUJFWSA-N 323.433 3.659 0 40 DHAB COC(=O)c1cccc(Oc2ncnc3c2oc2ccccc23)c1 3284000 ATJSNRUYGPGEHV-UHFFFAOYSA-N 320.304 3.955 0 40 DHAB CCOc1ncccc1C(=O)OCc1c(F)cccc1Cl 3363899 PZALJVZITWHQCQ-UHFFFAOYSA-N 309.724 3.630 0 40 DHAB O=C(/C=C/c1nc2ccccc2s1)OCC(=O)c1ccccc1 6176316 JGKCHNCEHPDSHH-ZHACJKMWSA-N 323.373 3.736 0 40 DHAB Cc1cccc(CN2C(=O)S/C(=C/c3ccncc3)C2=O)c1 6422304 FUEOWSHGLCDVJB-XNTDXEJSSA-N 310.378 3.627 0 40 DHAB COc1ccc(OC)c(NC(=S)N[C@@H]2CCCC[C@H]2C)c1 7529408 DKVLDCUPBQERSW-DGCLKSJQSA-N 308.447 3.569 0 40 DHAB Cc1cc(C)cc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)c1 7570791 YHEGFJAKPBBXTN-UHFFFAOYSA-N 307.401 3.948 0 40 DHAB Cc1nc(CC(=O)NCc2ccccc2)sc1-c1ccccc1 8103256 XOVUKMYBKGJJJM-UHFFFAOYSA-N 322.433 3.977 0 40 DHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)ccc1F 8106422 FFYLQQHZWVQFIV-UHFFFAOYSA-N 317.744 3.727 0 40 DHAB CCOCCCNCc1cc(Cl)c(OCC)c(OCC)c1 8253140 KCITWYTUSDFGHW-UHFFFAOYSA-N 315.841 3.654 0 40 DHAB CC(C)CC(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 8903644 XUBXYRIAGJVGEO-UHFFFAOYSA-N 320.414 3.846 0 40 DHAB CSc1cccc(-c2nnc(NC(=O)C3CCCCC3)o2)c1 9707585 LFHFTJUZUZRKKB-UHFFFAOYSA-N 317.414 3.977 0 40 DHAB COc1cccc(NC(=O)NCCSc2ccc(C)cc2)c1 11556996 YRMJUKORHFQRRA-UHFFFAOYSA-N 316.426 3.917 0 40 DHAB CC(C)NC(=O)COc1ccc2ccccc2c1Br 12909057 PRCWRJKRJMCGGV-UHFFFAOYSA-N 322.202 3.506 0 40 DHAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1F 12930187 LBQLXONRTSMNNV-UHFFFAOYSA-N 324.355 3.730 0 40 DHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCCCC1 13686675 CVXZGNIAUFZBQV-CYBMUJFWSA-N 302.418 3.734 0 40 DHAB CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CO 14410699 FKCPLBHSZGVMNG-YSIASYRMSA-N 302.458 3.917 0 40 DHAB biogenic CC(C)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 16125767 JOQPFRLHWDJGMX-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB Cc1ccc(-n2ncc3c(NCC(C)C)ncnc32)cc1Cl 20662130 KUJIJLQKXBXXFP-UHFFFAOYSA-N 315.808 3.845 0 40 DHAB O=C(Nc1ccncc1)c1ccc2nc(C(F)(F)F)sc2c1 20728622 IMAKUHGCIULROH-UHFFFAOYSA-N 323.299 3.962 0 40 DHAB COc1ccc(Nc2cc(C(=O)O)nc3ccc(C)cc23)cc1 21657764 DRVNKTWGKKXYHR-UHFFFAOYSA-N 308.337 3.994 0 40 DHAB CC(=O)c1c(Nc2ccc(C(F)(F)F)cc2)oc(C)cc1=O 27300353 ZXVZLNMMRKBEGO-UHFFFAOYSA-N 311.259 3.913 0 40 DHAB Cc1sc(-c2ccncc2)nc1-c1ccc(CC(=O)O)cc1 28522230 MXGRPJNYSWLGRH-UHFFFAOYSA-N 310.378 3.808 0 40 DHAB CCOc1cc(C(=O)NC)cc(Cl)c1OCc1ccccc1 33620608 KZLITNJQMHIDEK-UHFFFAOYSA-N 319.788 3.677 0 40 DHAB CC(=O)O[C@@H]1[C@H](c2ccccc2)CC[C@H](c2ccccc2)[C@@H]1O 35464636 RRGRXDIGPVAQIW-FUMNGEBKSA-N 310.393 3.640 0 40 DHAB biogenic,in-vitro CCOc1ncccc1CNC(=O)Nc1ccc(F)c(Cl)c1 40097678 YSABEOUIMZINJO-UHFFFAOYSA-N 323.755 3.595 0 40 DHAB CC(=O)n1nccc1[C@H](C)Sc1ncccc1C(F)(F)F 43804409 WADNJPIKNDXQHL-QMMMGPOBSA-N 315.320 3.810 0 40 DHAB O=C(C[C@@H]1CCCO1)NCc1cccc(Oc2ccccc2)c1 47110740 XSZCFJKIQHIHHS-KRWDZBQOSA-N 311.381 3.664 0 40 DHAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1Cc1ccccc1 48299314 PQNXPRPDGLHCMK-QGZVFWFLSA-N 314.816 3.943 0 40 DHAB CN1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 49581087 YELFGIPNSMJKET-QOYAAKSSSA-N 316.198 3.687 0 40 DHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354025 CMFIYVAHMQGQAJ-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB CSc1cccc(NC(=O)Nc2ccc3c(c2)OCCO3)c1 51355996 DEUNPVBQMASZKY-UHFFFAOYSA-N 316.382 3.824 0 40 DHAB CCCCNC(=O)C1CCN([C@H](C)c2cccc(F)c2)CC1 56284062 PZFSHYAAXYIAND-CQSZACIVSA-N 306.425 3.515 0 40 DHAB O=C(c1ccoc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57129711 FFQCSKDRSKZOGF-UHFFFAOYSA-N 300.745 3.613 0 40 DHAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2C)cc1 67259718 JTMKYFUYDKKJTR-UHFFFAOYSA-N 314.435 3.930 0 40 DHAB CNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72212471 UVWPGTNVXQUVCJ-INIZCTEOSA-N 311.385 3.597 0 40 DHAB CCc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 72331283 GHCMRMBVQFTGAB-UHFFFAOYSA-N 308.425 3.520 0 40 DHAB O=C(CCCn1ccnc1)Nc1ccc(OC2CCCC2)cc1 72392186 JUDNVHJUQYAGNI-UHFFFAOYSA-N 313.401 3.623 0 40 DHAB O=C(O)c1cccn1-c1ccc(Cl)cc1Br 88123508 WRQSTVWQOJDUOZ-UHFFFAOYSA-N 300.539 3.591 0 40 DHAB O=C(NCCc1cscn1)C1(c2cccs2)CCCCC1 89799955 TXKSFBQXFWQFJP-UHFFFAOYSA-N 320.483 3.765 0 40 DHAB O=C(c1cscn1)N1CCCC[C@H]1CCc1ccccc1 89880081 AWZQAJYJARDLNI-HNNXBMFYSA-N 300.427 3.771 0 40 DHAB C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(F)c1Cl 95427623 AHYSREPSBVGORM-JTQLQIEISA-N 307.752 3.546 0 40 DHAB C[C@@H](c1cccs1)[S@@](=O)Cc1noc(-c2ccccc2)n1 95428098 XHFNFEOSFZWVCM-WIUDPPPLSA-N 318.423 3.808 0 40 DHAB C[C@H]1CN(Cc2cnoc2-c2ccc(Cl)s2)C[C@H](C)O1 95972303 WRUXZCMXJFULLL-UWVGGRQHSA-N 312.822 3.666 0 40 DHAB O=C(c1ccc(CSCc2ccccn2)cc1)N1CCCC1 95991002 PRQXYUUYKHCYFM-UHFFFAOYSA-N 312.438 3.751 0 40 DHAB COc1cc(F)c([C@H](C)NCc2ccncc2Cl)cc1OC 97033484 XHAPSOVGYFQLSB-JTQLQIEISA-N 324.783 3.742 0 40 DHAB C[C@@H](Nc1cnn(C)c1)c1ncc(-c2ccc(Cl)cc2)o1 97139787 HMGZVDJZFCPQKF-SNVBAGLBSA-N 302.765 3.902 0 40 DHAB COc1cc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c(OC)cc1Cl 100626230 WHHFFWXAHHEODY-MXWKQRLJSA-N 309.793 3.732 0 40 DHAB COc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3ncnc3N2)cc1 100628724 JCECMNGPNHNLEM-SFHVURJKSA-N 318.380 3.651 0 40 DHAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)C1 101213740 KLAVVVARGBVTEU-QFIAKTPHSA-N 323.521 3.557 0 40 DHAB CC1CCN(C[C@H](O)CCO[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 104489276 VKHVDMQUWAJNHZ-DMUMMCEESA-N 323.521 3.701 0 40 DHAB C[C@@H](NC(=O)CCOc1cccc(F)c1)[C@H]1C[C@H]2CC[C@H]1C2 109020275 AZHVRIOMKOWTRK-XJIUQZFPSA-N 305.393 3.536 0 40 DHAB Cc1cnccc1NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 120713949 UIPLYXCTXLTTNX-LLVKDONJSA-N 321.327 3.874 0 40 DHAB Clc1nccn2c(Br)c(Br)cc12 169799231 JDLVBOFRJADCOF-UHFFFAOYSA-N 310.376 3.513 0 40 DHAB CC(C)SCc1cccc(NC(=O)NC[C@H]2CC[C@H](O)C2)c1 195578940 ARJZLJJQDJXTPN-BBRMVZONSA-N 322.474 3.611 0 40 DHAB CCOc1cccc(CNC(=O)CCc2ccc(Cl)cc2)c1 225306011 YHFAIPZITIHAMV-UHFFFAOYSA-N 317.816 3.988 0 40 DHAB Cn1ccc2c(C(=O)N3CCCC[C@@H]3c3cccnc3)cccc21 248029168 NUJOAJJIMYJXCI-GOSISDBHSA-N 319.408 3.941 0 40 DHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)[nH]3)N21 260766246 JKVNMSSMJDLQJL-WQVCFCJDSA-N 312.442 3.698 0 40 DHAB Cc1cccc(CN2C(=O)S/C(=C\c3cccn3C)C2=O)c1 409101969 ZSCRJABFVDSSRQ-GDNBJRDFSA-N 312.394 3.570 0 40 DHAB COc1cccc(OC)c1/C=C/C(=O)Nc1c(F)cccc1F 409235886 CRKWQSVGQRQNOX-MDZDMXLPSA-N 319.307 3.634 0 40 DHAB O=C(NCc1ccccc1)NCC(c1ccco1)c1ccco1 675007738 MALRDHONHJAXNG-UHFFFAOYSA-N 310.353 3.504 0 40 DHAB O=C(NC[C@H](c1ccsc1)c1ccco1)[C@@H]1CC=CCC1 675007816 SETSBGHFFGPKKJ-UKRRQHHQSA-N 301.411 3.946 0 40 DHAB S=C1NC(c2ccccc2)=C[C@H](c2ccc(Cl)cc2)N1 195930 ITNSDJNIGHXYRS-OAHLLOKOSA-N 300.814 3.900 0 40 DHAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1F 383068 BKUYBACBXMHXIA-AWEZNQCLSA-N 301.361 3.503 0 40 DHAB Cc1ccc(C)c(N(Cc2ccccc2Cl)S(C)(=O)=O)c1 567122 LAVDKIOZUWIAPE-UHFFFAOYSA-N 323.845 3.923 0 40 DHAB O=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)O)c1 832259 FLJQPPPEKBAPHW-UHFFFAOYSA-N 321.332 3.556 0 40 DHAB O=S(=O)(c1ccccc1)n1nccc1-c1sccc1Cl 1397741 YEMHOLCZQBOLGZ-UHFFFAOYSA-N 324.814 3.502 0 40 DHAB CCCCN(C(=O)c1ccccc1)C1C[C@H]2CC[C@H](C1)N2C 2024863 MVJFUGXQQYWIDN-IAGOWNOFSA-N 300.446 3.554 0 40 DHAB Cn1cc(SCC(=O)NCc2ccccc2)c2ccccc21 4060490 VGSHCFAIRVEIDX-UHFFFAOYSA-N 310.422 3.587 0 40 DHAB Cc1nc(NCc2ccc(F)cc2)nc2c1C(=O)c1ccccc1-2 4741334 YEGZXUJUZRQDRP-UHFFFAOYSA-N 319.339 3.748 0 40 DHAB Cc1ccc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2n1 5198650 DMXJKQKQNCLFEN-HNNXBMFYSA-N 320.392 3.799 0 40 DHAB CC(C)N(CCNc1ncnc2c1[nH]c1ccccc12)C(C)C 5253622 LDLVSZQEUMFCHV-UHFFFAOYSA-N 311.433 3.642 0 40 DHAB COc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1 5459450 VYMUWAFLQFCNNO-UHFFFAOYSA-N 305.790 3.912 0 40 DHAB O=C(OCc1ccccc1)c1cc(Br)ccc1O 5743393 HVRNODKHDGQLGQ-UHFFFAOYSA-N 307.143 3.512 0 40 DHAB COc1ccc(CNC(=O)/C=C/c2ccc3ccccc3n2)cc1 6320082 ZCQNFVGIHZHEEG-JLHYYAGUSA-N 318.376 3.573 0 40 DHAB COc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 6329471 XHJOZHKUHNWZAN-OPQQBVKSSA-N 310.850 3.824 0 40 DHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc[nH]1 6452927 OQFINMFEWOSJDB-GQCTYLIASA-N 324.163 3.761 0 40 DHAB Cc1sc2nc(CN3CCCC3)nc(N3CCCC3)c2c1C 8315253 GJZSUOQBWNQJBT-UHFFFAOYSA-N 316.474 3.504 0 40 DHAB O=C(NCc1ccco1)c1conc1-c1ccccc1Cl 9577311 CTZJXIBZYMDOSM-UHFFFAOYSA-N 302.717 3.518 0 40 DHAB Cc1nc(-c2ccc(CNC(=O)c3cccc(F)c3)o2)cs1 12887191 YRMVTGLPJBOZEL-UHFFFAOYSA-N 316.357 3.781 0 40 DHAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 12902146 MKOYFHPBNVLVKW-HXUWFJFHSA-N 322.452 3.598 0 40 DHAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 12916553 ORJPWXVADONRQL-LLVKDONJSA-N 314.335 3.866 0 40 DHAB CN(Cc1cccc(F)c1)C(=O)c1ccc2ccccc2c1O 12918025 SKSLONBIBTWRAA-UHFFFAOYSA-N 309.340 3.957 0 40 DHAB Cc1cc(OCC(=O)Nc2nc3ccccc3[nH]2)ccc1Cl 13148433 UCZBFGOMWLXVLV-UHFFFAOYSA-N 315.760 3.542 0 40 DHAB CC(=O)c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 13214608 AABPSESTZLBZAJ-UHFFFAOYSA-N 312.756 3.775 0 40 DHAB C[C@H](Sc1ccc(N)cc1)C(=O)Nc1cnc2ccccc2c1 13578891 WJDIHHDBWYMKOW-LBPRGKRZSA-N 323.421 3.936 0 40 DHAB C=C1c2ccccc2N=C(S)N1Cc1ccc2c(c1)OCO2 13636161 VMRHKOJLIVPVET-UHFFFAOYSA-N 310.378 3.819 0 40 DHAB Cc1cc2c(nc1C)sc1c(=O)n(Cc3ccccc3)cnc12 13690979 AHTQXBNPJYZWOB-UHFFFAOYSA-N 321.405 3.671 0 40 DHAB CSc1ncccc1C(=O)N[C@@H](C)c1ccc(F)cc1F 14574037 VJAPWOYDYVFCIQ-VIFPVBQESA-N 308.353 3.573 0 40 DHAB COc1ccc2cc(C(=O)NCCc3ccccc3)c(C)nc2c1 17357707 FKUWSVVDQAQCEN-UHFFFAOYSA-N 320.392 3.524 0 40 DHAB O=C(c1ccccn1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 19399691 RSTKVURCGBWVLV-QGZVFWFLSA-N 317.392 3.650 0 40 DHAB COc1ccc([C@@H](C)NC(=O)CSc2ccc(C)cc2)cc1 20044692 BXAOOSRZMJAWPU-CQSZACIVSA-N 315.438 3.973 0 40 DHAB CCN(CC)CCNCc1ccc(OCc2ccccc2)cc1 22075045 PZWOAJWUWKLHST-UHFFFAOYSA-N 312.457 3.697 0 40 DHAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3c4c(cccc24)CC3)no1 28800366 VDWIEJFGJQXMHY-LBPRGKRZSA-N 321.380 3.674 0 40 DHAB CC(C)(C)c1noc(CCC(=O)NC2CCCCCCC2)n1 33147851 ZAPFTKOGHNIUGK-UHFFFAOYSA-N 307.438 3.529 0 40 DHAB CCC(CC)C(=O)NCC1CCN(Cc2cccs2)CC1 38584344 KEQFAFZPTJKMKW-UHFFFAOYSA-N 308.491 3.513 0 40 DHAB Cc1cc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)c(C)o1 38753223 ZGSQKUUQXDVUEX-UHFFFAOYSA-N 314.316 3.621 0 40 DHAB O=C(NCCC1=CCCCC1)Nc1cccnc1N1CCCC1 40121063 RSGPYBUQYMMTHC-UHFFFAOYSA-N 314.433 3.694 0 40 DHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cccc(OC)c1 40945949 PJNXOXHUIVGKIQ-LSDHHAIUSA-N 307.434 3.795 0 40 DHAB COc1ccccc1CN(C)C(=O)CCSc1ccccc1 44948182 JSEGDJOYTXRUIC-UHFFFAOYSA-N 315.438 3.836 0 40 DHAB CC(C)C[C@@H](NC(=O)NCc1cccnc1)c1cccs1 57394418 WKKYJIMSRCUJBX-CQSZACIVSA-N 303.431 3.730 0 40 DHAB COc1ccc(-c2csc3c(O)nc(SC)nc23)cc1 62591979 UAWQZSBVNHFFBS-UHFFFAOYSA-N 304.396 3.794 0 40 DHAB Cc1cc(CN(C)Cc2coc(-c3ccc(F)c(F)c3)n2)no1 69348613 QOLSAYYWYKQOSC-UHFFFAOYSA-N 319.311 3.548 0 40 DHAB COC(=O)c1ccc([C@H]2SCC(O)=Nc3ccsc32)cc1 71283159 IGEYARBXXOARIC-CYBMUJFWSA-N 319.407 3.959 0 40 DHAB COc1cccc(NC(=O)Cc2cccc(Br)c2)c1 72064074 AXFWDEOBODQZRL-UHFFFAOYSA-N 320.186 3.639 0 40 DHAB CCN(C(=O)OC(C)(C)C)c1ccc(C2=NCCCC2)cn1 72214629 MYIHWHZPTSNCID-UHFFFAOYSA-N 303.406 3.816 0 40 DHAB COc1ccc(CNc2cccc(C(=O)O)c2)c(Cl)c1OC 76275336 MXIUSSKGCZOHRQ-UHFFFAOYSA-N 321.760 3.668 0 40 DHAB C[C@H](c1cccs1)N(C)C(=O)C[C@H]1OCCc2ccccc21 78813681 PGVLDEHWDCLHAV-CZUORRHYSA-N 315.438 3.972 0 40 DHAB Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCC(OCC(C)C)CC2)s1 84205324 RVDZNEUFOFMVHU-HOTGVXAUSA-N 321.486 3.824 0 40 DHAB CCCc1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 85473052 YJBLMJZLVDMQDT-HXUWFJFHSA-N 323.436 3.723 0 40 DHAB COCc1ccc(C(=O)N2CCOc3c(Cl)cccc32)cc1 95415858 VBDHGICYMHXMKG-UHFFFAOYSA-N 317.772 3.526 0 40 DHAB Cc1ccc(C)c(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 95440195 YBIBXFRXPKTPES-BTYIYWSLSA-N 301.455 3.892 0 40 DHAB O=C(Nc1cccc(C(F)F)c1)N1CC[C@@H](CN2CCCC2)C1 95984760 QGVNHAIOQJXKRM-ZDUSSCGKSA-N 323.387 3.574 0 40 DHAB O=C(NCCCn1ccc2cccnc21)c1ccc(Cl)cc1 96024573 TURDGIXUOBAKLJ-UHFFFAOYSA-N 313.788 3.510 0 40 DHAB CO[C@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1C 96104940 KHDNKLKYFAFPLS-MRXNPFEDSA-N 303.789 3.766 0 40 DHAB CN(C)C(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1Cl 96125825 UZQBXKSKHQNRRO-QGZVFWFLSA-N 316.832 3.601 0 40 DHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2cscn2)o1 96433173 DSTMKUNQHMUKIC-IUODEOHRSA-N 318.442 3.977 0 40 DHAB CC(C)C[C@H](NC1CCN(C(=O)N(C)C)CC1)c1cccs1 96491607 DJAOZYWLEKUVOQ-HNNXBMFYSA-N 323.506 3.571 0 40 DHAB CC(=O)N(c1nc(CNc2cc(F)ccc2F)cs1)C1CC1 97035190 WRNCRZHBBPFIGZ-UHFFFAOYSA-N 323.368 3.549 0 40 DHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100100032 CWSNMGQUGUMPII-BCXHYRKLSA-N 309.409 3.912 0 40 DHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2cccnc2)cs1 105873590 NILOXLYODCSATN-SGMGOOAPSA-N 313.426 3.970 0 40 DHAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccnc1C(F)(F)F 108460848 SJGSHNZELQIQLB-SDDRHHMPSA-N 312.335 3.657 0 40 DHAB Cc1nc2ccc(NC(=O)c3cc(F)c(F)c(O)c3F)cc2o1 183364303 GBIBXUMCMZXSCW-UHFFFAOYSA-N 322.242 3.511 0 40 DHAB COCc1ccc(NC(=O)Nc2ccccc2COC)cc1 193404787 UOQLFIOEKMNDLM-UHFFFAOYSA-N 300.358 3.623 0 40 DHAB O=C(O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 216777092 DJHJCPIDBYMLRV-UHFFFAOYSA-N 311.120 3.911 0 40 DHAB COC(=O)c1cn(C(=S)Nc2ccc(C)cc2)c2ccccc12 222651167 YQHOVOMKVZOBLI-UHFFFAOYSA-N 324.405 3.981 0 40 DHAB CC(C)(C)OC(=O)NC[C@@H]1CCCC(=O)[C@H]1c1ccccc1 225751150 QRGRWLRFDOFXKK-HOCLYGCPSA-N 303.402 3.664 0 40 DHAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)n1 257268217 MKSLBRLPQXVHIK-OAHLLOKOSA-N 317.820 3.668 0 40 DHAB COc1cc(N[C@H]2C[C@@H](N)c3ccccc32)c(OC)cc1Cl 261827964 BCZHMIZHXUJLRX-KGLIPLIRSA-N 318.804 3.914 0 40 DHAB O=C(c1ccc(C(F)F)cc1)N1CCOC[C@H]1c1ccccc1 390834368 XGOFBZBGESGFOO-INIZCTEOSA-N 317.335 3.838 0 40 DHAB Cc1ccc(-c2n[nH]c(SCCCc3ccncc3)n2)cc1 547249297 GWQXQTBDHXXPMN-UHFFFAOYSA-N 310.426 3.900 0 40 DHAB C[C@@H](NCc1ccc2c(n1)CCC2)c1cccc(-n2cccn2)c1 581988830 SEFGVKPODVXFCL-OAHLLOKOSA-N 318.424 3.607 0 40 DHAB C[C@@H](NCc1nc(Cl)cs1)[C@H](c1ccccc1)N(C)C 585117201 URNSCCQITJBQFG-IAQYHMDHSA-N 309.866 3.578 0 40 DHAB CCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1 347196 UYHSAGGOBAGMEV-UHFFFAOYSA-N 305.381 3.597 0 40 DHAB O[C@@H](c1ccccc1)c1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 382803 AHBSFBQHTBVUMG-RXVVDRJESA-N 318.420 3.704 0 40 DHAB CCSc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 507966 UOXPJRIDRYECIL-QMMMGPOBSA-N 304.444 3.576 0 40 DHAB Cc1nnsc1NC(=O)OCc1ccc(Cl)cc1Cl 1394010 AONPYKUKPRAVIV-UHFFFAOYSA-N 318.185 3.902 0 40 DHAB CSc1ncccc1C(=O)OCc1nc2ccccc2s1 2628863 GKSZBFRGHHUXIV-UHFFFAOYSA-N 316.407 3.770 0 40 DHAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 2637572 HIRDJTIYJBBZKQ-UHFFFAOYSA-N 316.209 3.819 0 40 DHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1 2645767 IFSBZQZPQIFIKY-UHFFFAOYSA-N 324.163 3.652 0 40 DHAB COc1cccc(C(=O)Nc2nc3c(OC)cccc3s2)c1 3216942 BSRIDPMUYJMZBA-UHFFFAOYSA-N 314.366 3.566 0 40 DHAB COC(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 3326889 VPIKWUUHGOPUOP-UHFFFAOYSA-N 322.364 3.526 0 40 DHAB CC(=O)c1ccc(NC(=S)NCCCc2ccccc2)cc1 3338584 RKNMNRCSKSLWNJ-UHFFFAOYSA-N 312.438 3.808 0 40 DHAB O=C(COc1ccccc1Cl)NCCc1ccc(Cl)cc1 3602868 PFRGOSFODIGBGO-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)cc(Cl)c1 4107331 XTOAWSJHSSSXEF-UHFFFAOYSA-N 324.123 3.889 0 40 DHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccccc1 4909959 KUTOUJFJTPGYFZ-KRWDZBQOSA-N 307.353 3.625 0 40 DHAB O=C(Nc1ccc(Br)cc1F)c1ccc(F)cc1 5672980 GBLBMVUCBYAMMC-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB CC(C)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 6313641 DFCFYOHKZJXKDY-UHFFFAOYSA-N 306.365 3.904 0 40 DHAB CCCC(=O)Nc1cc(C)c(I)cc1C 6592787 FWZIUTNOAWBLNP-UHFFFAOYSA-N 317.170 3.647 0 40 DHAB CCc1ccc2oc(C(=O)Nc3ccccc3C)cc(=O)c2c1 6811265 XCJVKFFPUNAVNZ-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 7052950 FUVAOKMHUMDHCT-UHFFFAOYSA-N 315.316 3.815 0 40 DHAB Cc1c2c(nc3ccccc13)-c1cccc(F)c1S(=O)(=O)C2 8747488 LKOQCOZNUVCQER-UHFFFAOYSA-N 313.353 3.637 0 40 DHAB CC1CCN(Cn2nc(NC(C)(C)C)sc2=S)CC1 9870212 RXLSRSKCSUYZDS-UHFFFAOYSA-N 300.497 3.574 0 40 DHAB CN(C)c1ccc(CCCNC(=O)c2ccc(Cl)cc2)cc1 11693632 NGABOPLZYOKMNA-UHFFFAOYSA-N 316.832 3.769 0 40 DHAB O=Cc1cc(Br)ccc1OCCOc1ccccc1 11893306 NQFQMYZYWGSUIP-UHFFFAOYSA-N 321.170 3.719 0 40 DHAB CCOCCCN1Cc2cc3ccc(C)c(C)c3nc2OC1=O 12222172 DXJVBPYGDDDLNX-UHFFFAOYSA-N 314.385 3.593 0 40 DHAB Cc1sc2nc([C@H](C)Sc3ccccn3)[nH]c(=O)c2c1C 12532990 PIZHUGCRTUNGAB-JTQLQIEISA-N 317.439 3.850 0 40 DHAB COC(=O)c1c(C)[nH]c(C(=O)c2oc3ccccc3c2C)c1C 12847422 XZLCBDGVUCFRCC-UHFFFAOYSA-N 311.337 3.704 0 40 DHAB COCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 13011860 UYHIVASESZVRJH-UHFFFAOYSA-N 323.314 3.749 0 40 DHAB CCCOc1cccc(C(=O)Oc2ccc(NC(C)=O)cc2)c1 14781809 BHLZTNQBOLRXLN-UHFFFAOYSA-N 313.353 3.653 0 40 DHAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3C)ccc21 15830633 QOPWVNJKICSFDN-UHFFFAOYSA-N 312.394 3.644 0 40 DHAB COC(=O)c1sccc1NC(=O)Nc1ccc(C)cc1C 15934312 JYKZKRBCWQIPGR-UHFFFAOYSA-N 304.371 3.796 0 40 DHAB CN(C)C(=S)/N=c1\ssc(=S)n1C1CCCCC1 18061797 ABWAJSDROQUJFX-BENRWUELSA-N 319.546 3.593 0 40 DHAB O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1CCc1ccccc1 19371000 YASBZADDGJVEHM-MOPGFXCFSA-N 315.457 3.960 0 40 DHAB Cc1cc(C(=O)c2sc3ncccc3c2N)c(C)n1C1CC1 20416329 HICWJQNIVCYDON-UHFFFAOYSA-N 311.410 3.863 0 40 DHAB CC(C)CC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27662524 FLXUPPSIEPRNGJ-HNNXBMFYSA-N 308.491 3.828 0 40 DHAB C[C@@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 32699800 PIJAJQROZBUXGX-KRWDZBQOSA-N 323.436 3.655 0 40 DHAB COC(=O)c1ccoc1COc1ccc(C)c2c1C(=O)C[C@H]2C 32899112 JODFGGCHBLQXBV-LLVKDONJSA-N 314.337 3.644 0 40 DHAB CC(C)c1nnc(NC(=O)c2cc(-c3ccccc3)no2)s1 32913672 OHRDFTGVZZKLBK-UHFFFAOYSA-N 314.370 3.569 0 40 DHAB CSc1nccn2nc(-c3ccc(Br)cc3)cc12 38486444 ZFKOOZHAYAPYLU-UHFFFAOYSA-N 320.215 3.881 0 40 DHAB Cc1ccc(-c2cc(C(=O)NCCc3ccc(F)cc3)on2)cc1 40088058 DJUUWCGZZVGUOO-UHFFFAOYSA-N 324.355 3.762 0 40 DHAB COc1cccc(CNC(=O)Nc2ccc(F)cc2Cl)c1 40097505 SHIQERZUDFKTPX-UHFFFAOYSA-N 308.740 3.809 0 40 DHAB COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2)cc1F 44892606 IGHNQHJDBQQLJF-CYBMUJFWSA-N 316.376 3.737 0 40 DHAB CCN(C(=O)c1oc2ccccc2c1COC)C1CCCC1 45486943 SKOJYCGZYQDKFJ-UHFFFAOYSA-N 301.386 3.984 0 40 DHAB O=C(C[C@H]1C=CCC1)NCCc1ccc(OC(F)(F)F)cc1 48326439 INCVYHXIOQDUQP-ZDUSSCGKSA-N 313.319 3.600 0 40 DHAB CN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1Cl 48345342 LPZPNKCYYNQMAE-UHFFFAOYSA-N 307.752 3.840 0 40 DHAB Cc1ccc(SCc2csc(-c3cnn(C)c3)n2)nc1 53828017 UQANDVCFKMEVHM-UHFFFAOYSA-N 302.428 3.539 0 40 DHAB Cc1cc2ccccc2n1CC(=O)N(Cc1cccnc1)C1CC1 58116558 XWVCHUHCYZXLES-UHFFFAOYSA-N 319.408 3.536 0 40 DHAB Cc1cccc(CS(=O)(=O)Cc2csc(C(C)C)n2)c1 58934689 JIKAUAGVICWOGW-UHFFFAOYSA-N 309.456 3.690 0 40 DHAB Cc1cc(C(=O)N[C@@H](C)CCCC(C)C)c2c(C)nn(C)c2n1 61722008 RKAVKTZNWKBXCZ-LBPRGKRZSA-N 316.449 3.530 0 40 DHAB Cc1noc(Cl)c1CCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 64371042 MSOCYLCMSPAEGT-CORIIIEPSA-N 324.852 3.996 0 40 DHAB COc1cc2c(Cl)ccnc2cc1I 66351390 GFZGJCLCJIHRDF-UHFFFAOYSA-N 319.529 3.501 0 40 DHAB CC1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 67284948 CCZUSHZHTPFHHG-UHFFFAOYSA-N 310.376 3.772 0 40 DHAB CCc1nc(CCNC(=O)c2ccccc2Cl)sc1C 69559390 RMRXMRCFDDTSIO-UHFFFAOYSA-N 308.834 3.640 0 40 DHAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccsc1 69813768 ORSHHZVFQHISEI-ZDUSSCGKSA-N 321.373 3.697 0 40 DHAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2cccnc2)S1 71286031 RGFUANPZKMHFJH-CQSZACIVSA-N 314.414 3.985 0 40 DHAB CO[C@H](C(=O)NCC1(c2ccccc2)CCC1)c1ccccc1 71913161 VDTYSNCQVASREI-SFHVURJKSA-N 309.409 3.612 0 40 DHAB CCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCN2)n1 72209140 WXNMVSLHKUKFJG-GFCCVEGCSA-N 307.781 3.603 0 40 DHAB Cc1cc(COc2cccc(NC(=O)c3cccs3)c2)on1 76062803 LUZZOVPDQZPXRW-UHFFFAOYSA-N 314.366 3.876 0 40 DHAB Cc1[nH]cnc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 76094641 GDVRKOSNDXJGEO-UHFFFAOYSA-N 315.760 3.562 0 40 DHAB COc1ccc(CN[C@@H](C)c2ccccn2)c(Cl)c1OC 78603724 NNNXHUQAPASPGG-NSHDSACASA-N 306.793 3.603 0 40 DHAB C[C@H](Nc1ccnc(-c2ccccc2)n1)[C@@H](O)c1ccc(F)cc1 78620078 PWFXCELWXLVACJ-SCLBCKFNSA-N 323.371 3.817 0 40 DHAB COc1cccc(/C(C)=C/C(=O)OCCCc2cccnc2)c1 80938898 XMOBNGISBFBVKN-NTCAYCPXSA-N 311.381 3.670 0 40 DHAB CO[C@H](C)c1scc(Br)c1Br 85390809 XEHCAAVEVFKSRL-SCSAIBSYSA-N 300.015 3.981 0 40 DHAB CCOc1ccc(CNc2ccc(NC(C)=O)cc2Cl)nc1 95417979 RPUBDRDRFUOOKA-UHFFFAOYSA-N 319.792 3.704 0 40 DHAB C[C@@H]1C[C@H](NCCCc2cnn(C)c2)c2ccccc2S1 95421666 GENVDDMUZVGLPL-CJNGLKHVSA-N 301.459 3.568 0 40 DHAB CC1(C)CCC(CN2CCC(C(=O)N3CCCCC3)CC2)CC1 95453922 ZXTOCVBILILISY-UHFFFAOYSA-N 320.521 3.927 0 40 DHAB O=C(NCc1cccc(CO)c1)C1CCC(c2ccccc2)CC1 95962383 WBSMXZRHOYWKNI-UHFFFAOYSA-N 323.436 3.769 0 40 DHAB C[C@@]1(C(=O)Nc2ccccc2)CC(c2ccccc2Cl)=NO1 96192585 BYHONYWTNIQJKJ-KRWDZBQOSA-N 314.772 3.862 0 40 DHAB CC(C)N(C(=O)Cc1cc(-c2ccccc2)on1)c1cccnc1 96412002 NJNXFXCOVOBULH-UHFFFAOYSA-N 321.380 3.721 0 40 DHAB Cc1ccc(Br)cc1C(=O)N(C)c1c(C)noc1C 96448298 ASZUYOHMYLNWJL-UHFFFAOYSA-N 323.190 3.639 0 40 DHAB CCc1ccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 96659273 OSPAZXRWCZYBEG-UHFFFAOYSA-N 319.426 3.675 0 40 DHAB CC(C)N(C)C(=O)N[C@H](CC1CCOCC1)c1ccccc1 97237400 YGVZDRUKBZOHLS-QGZVFWFLSA-N 304.434 3.594 0 40 DHAB CC1=CC[C@@H]2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)[C@H]2C1 100174068 ZZNPGQANDYFMNC-IDHTWPPDSA-N 313.441 3.544 0 40 DHAB Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1 101078607 MJQDGQAXMCTLKV-ZDUSSCGKSA-N 320.392 3.644 0 40 DHAB CC(C)Oc1c(I)ccc2cccnc12 196967067 HFLKHTJOTCRFAL-UHFFFAOYSA-N 313.138 3.627 0 40 DHAB COc1cc(C=O)ccc1OCCCCN1C[C@H](C)C[C@@H](C)C1 217797847 ZDGOODLOJPYYCM-HZPDHXFCSA-N 319.445 3.645 0 40 DHAB COc1ccc(C(=O)NCCCc2ccccc2)cc1Cl 225382412 DRSVLTPPJJASFW-UHFFFAOYSA-N 303.789 3.711 0 40 DHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)Cc1ccc(F)cc1 253472071 IOOPPHPUICAJOH-CYBMUJFWSA-N 311.356 3.862 0 40 DHAB Cc1ccnc(NCc2ccc(-c3ccccc3C(=O)O)cn2)c1 257330770 XPXFJNVUTXGSAD-UHFFFAOYSA-N 319.364 3.762 0 40 DHAB CC(C)(C)OC(=O)N1C[C@H](c2cccc(Cl)c2)CCC1=O 575436643 MYUQIWAXSPYUGN-GFCCVEGCSA-N 309.793 3.981 0 40 DHAB Cc1cc(O)c(C(=O)c2cnn(-c3ccccc3)c2)cc1Cl 57706 DVYUVBRFHARCRS-UHFFFAOYSA-N 312.756 3.771 0 40 DHAB COc1ccc(/C=C/C(=O)Oc2ccccc2Cl)c(OC)c1 147525 GAPSELWCGSWTSL-CSKARUKUSA-N 318.756 3.976 0 40 DHAB CCc1ccccc1NC(=S)NC(=O)c1cc(C)cc(C)c1 505952 FIDLWRHQDZNQDY-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 993403 BNLNVHRZTMRHNS-MRXNPFEDSA-N 323.392 3.516 0 40 DHAB CCOC(=O)[C@H](C[C@@H](C(=O)O)c1ccccc1)c1ccccc1 1581060 JGVQIPKMDNEGKH-IAGOWNOFSA-N 312.365 3.592 0 40 DHAB COC(=O)c1sc2ncnc(Nc3ccc(C)cc3)c2c1C 1892841 APWDRRKYWDHTKG-UHFFFAOYSA-N 313.382 3.838 0 40 DHAB CC(C)(C)C(=O)COC(=O)COc1ccc(Cl)cc1Cl 3245483 ACCXAMDPMSKASQ-UHFFFAOYSA-N 319.184 3.531 0 40 DHAB COc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 3302630 UWICULOKMIBSLX-UHFFFAOYSA-N 309.287 3.644 0 40 DHAB COc1ccc(NC(=O)CN(C)C2CCCCC2)cc1Cl 3429797 KVKRIUMTXRCBIN-UHFFFAOYSA-N 310.825 3.552 0 40 DHAB COc1cc(C(=O)Nc2ccc(C)cc2O)cc(Cl)c1OC 3569955 NXYVRODSRVKZGU-UHFFFAOYSA-N 321.760 3.624 0 40 DHAB Cc1nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2s1 4525881 IXIAWRSODPHPEW-UHFFFAOYSA-N 322.386 3.545 0 40 DHAB O=[P@@]1(c2ccccc2)OCCN1C12CC3CC(CC(C3)C1)C2 4602522 HSZXSYTUQOYLOG-BFDDPKRYSA-N 317.369 3.806 0 40 DHAB C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NCc1cccnc1 5249605 YOGMQUBAEAYSMA-IIDMSEBBSA-N 300.446 3.757 0 40 DHAB COc1cccc(CCNC(=O)Nc2cn(C)c3ccccc23)c1 5265738 WOYRMHUFRZPANZ-UHFFFAOYSA-N 323.396 3.551 0 40 DHAB Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1C 5440520 SALIHAQMEWUHBE-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB Cc1noc(C)c1CCC(=O)OCc1nc2ccccc2s1 7145754 IJDKXZACJRRCIH-UHFFFAOYSA-N 316.382 3.577 0 40 DHAB Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1C 7915298 BVYCGBROBICQPU-UHFFFAOYSA-N 308.381 3.683 0 40 DHAB COc1ccc(C)cc1CC(=O)N[C@H]1CCCc2ccccc21 8077884 VOZGRZUZSGKCKA-SFHVURJKSA-N 309.409 3.740 0 40 DHAB O=c1c2ccccc2[nH]c(=S)n1-c1ccccc1OC(F)F 8436547 LWUUSCHITMTYEV-UHFFFAOYSA-N 320.320 3.650 0 40 DHAB CC(=O)Nc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1 9112112 CVCHWOOENHTTCF-UHFFFAOYSA-N 321.380 3.547 0 40 DHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 9115037 MFWLBWQPGFXTEZ-QGZVFWFLSA-N 305.381 3.849 0 40 DHAB C[C@@H](NC(=O)CCCc1cccs1)c1nc2ccccc2[nH]1 9883130 WNUSPZYITMMCCT-GFCCVEGCSA-N 313.426 3.825 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 12019889 MLTZLMBGBFOIDD-UHFFFAOYSA-N 313.353 3.640 0 40 DHAB Cc1cccc2nc(C(=O)Nc3ccc(F)cc3Cl)cn12 12532348 OYXLAIQZGWELIS-UHFFFAOYSA-N 303.724 3.688 0 40 DHAB Cc1ccc(CNC(=O)NCCSc2ccccc2)cc1 12785494 CWMPWBCRWAULPI-UHFFFAOYSA-N 300.427 3.587 0 40 DHAB C[C@H](NCc1cccc(C(F)(F)F)c1)c1nnc2ccccn12 12803314 RUDHIKDQGCUTJC-NSHDSACASA-N 320.318 3.599 0 40 DHAB CCC(C)(C)NC(=O)CSC1=Nc2ccccc2CS1 12915524 XCXNVJZOZXKOCT-UHFFFAOYSA-N 308.472 3.959 0 40 DHAB O=C(CCSc1ccc(F)cc1)c1ccc2c(c1)OCO2 12957880 QKVAWIOJZPCXTE-UHFFFAOYSA-N 304.342 3.920 0 40 DHAB C[C@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccccc1Cl 13075440 RYQBKZWLIYAIJP-GFCCVEGCSA-N 320.795 3.938 0 40 DHAB COc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 13715041 RZPOKYDFZIINOR-PTNGSMBKSA-N 311.362 3.936 0 40 DHAB CC(C)c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 16126952 VPTCAKCEFOWQHT-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 18241537 VJRPJNBJMCEWNR-JIMOISOXSA-N 311.303 3.631 0 40 DHAB COc1ccc(CCC(=O)NC2CCCCCCC2)cc1OC 20492737 GMNPASCWAXPBNL-UHFFFAOYSA-N 319.445 3.866 0 40 DHAB Cc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c(C)o1 24940462 YBMFYNRRSXYDQY-UHFFFAOYSA-N 312.369 3.666 0 40 DHAB Cc1cn2c(CC(=O)Nc3ccc(F)cc3Cl)csc2n1 25050472 PYTJCEIUHZWVDO-UHFFFAOYSA-N 323.780 3.678 0 40 DHAB Cc1nc(-c2cccnc2)sc1C(=O)N(C)Cc1ccccc1 28210382 FAISNTIRMZBIAN-UHFFFAOYSA-N 323.421 3.786 0 40 DHAB CCCc1nnc(NC(=O)c2ccc(OCC(C)C)cc2)s1 28226860 XMRIPNFHGNACES-UHFFFAOYSA-N 319.430 3.778 0 40 DHAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccccc1 28539435 HUKYIRBGIHBTTC-UHFFFAOYSA-N 313.360 3.981 0 40 DHAB O=C(Cc1ccccc1F)Nc1cccc(Oc2ncccn2)c1 32027732 SLSXONYWBYGMQM-UHFFFAOYSA-N 323.327 3.589 0 40 DHAB CCCOc1ccc(S(=O)(=O)N[C@@H](C)CC)c2ccccc12 32601857 BNNRJKROQIOAFR-ZDUSSCGKSA-N 321.442 3.705 0 40 DHAB O=C(Cc1noc2ccccc12)Nc1cnc2ccccc2c1 32894223 MJWGTTBXHUCGMX-UHFFFAOYSA-N 303.321 3.557 0 40 DHAB C[C@H]1CCc2sc(C(=O)N3CCOc4ccccc43)cc2C1 36763875 ODRSMEODUSSLEW-LBPRGKRZSA-N 313.422 3.912 0 40 DHAB C[C@H]1CCc2c(sc3ncnc(NCc4nccs4)c23)C1 40118725 KFAAFTAPPXCHSY-VIFPVBQESA-N 316.455 3.885 0 40 DHAB Cc1nnc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)s1 40140567 GMSPEZRWLULUEH-JTQLQIEISA-N 319.430 3.550 0 40 DHAB CCOc1cccc(CNC(=S)Nc2cccc(C)c2)c1 44155685 OMJVRQDNJBLFEA-UHFFFAOYSA-N 300.427 3.880 0 40 DHAB CC(=O)N1CN(C2CCCC2)Cc2c1sc1c2CCCC1 49563740 WUMMQUQWYKZUGP-UHFFFAOYSA-N 304.459 3.696 0 40 DHAB Cc1nc(SCC(=O)NC2(c3ccccc3)CCC2)oc1C 53721006 YNGDHTSZCGWUPN-UHFFFAOYSA-N 316.426 3.579 0 40 DHAB CN1C(=O)c2ccccc2N[C@@H]1c1cnc(C(C)(C)C)s1 63495061 CXTODYWPSHWIEG-ZDUSSCGKSA-N 301.415 3.637 0 40 DHAB CC[C@@H](Sc1nnc(C)s1)C(=O)c1ccc(OC)cc1 65475668 ZFLTUOJSFAUJCJ-GFCCVEGCSA-N 308.428 3.609 0 40 DHAB Cc1ccc(-c2cnc(CCC(=O)N(CC3CC3)C3CC3)o2)cc1 65515294 BVEHVEZOLQJANQ-UHFFFAOYSA-N 324.424 3.984 0 40 DHAB CCN(C(=O)Cc1csc(-c2ccccn2)n1)[C@@H](C)C(C)C 67114232 CORYIFIKCWDJHX-ZDUSSCGKSA-N 317.458 3.641 0 40 DHAB COc1c(CNCc2ccc([C@H]3C[C@H]3C)o2)c(C(C)C)nn1C 69418560 TYFIMEVQDVXJFN-OCCSQVGLSA-N 317.433 3.558 0 40 DHAB COc1ccc(N(C(=O)CCc2ccccn2)C(C)C)cc1F 69454486 AAXJKDKGONRESM-UHFFFAOYSA-N 316.376 3.604 0 40 DHAB Cc1ccccc1[C@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 69491149 YIQQSYKSNDCVOR-HNNXBMFYSA-N 317.392 3.568 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 69808697 DAXJDASXBXYVED-UHFFFAOYSA-N 323.352 3.737 0 40 DHAB COCc1cccc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1 71883129 WMKFXXASODBHJM-LBPRGKRZSA-N 318.442 3.740 0 40 DHAB Cc1nc([C@H](C)NC(=O)N[C@@H]2CCc3ccc(F)cc32)cs1 71886660 MANMHWQHRAOYCO-LKFCYVNXSA-N 319.405 3.638 0 40 DHAB CCCC(=O)Nc1ccc2sc(-n3nc(C)cc3C)nc2c1 72229645 QUHWNEOHRLOKRD-UHFFFAOYSA-N 314.414 3.837 0 40 DHAB O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccccc2)[nH]c1=O 72451264 YUALEOBXULOMPF-UHFFFAOYSA-N 324.767 3.948 0 40 DHAB C[C@@](O)(CNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 75155366 YVMCVMMSWSPTDE-HXUWFJFHSA-N 321.376 3.584 0 40 DHAB C[C@H]1CCN(C(=O)c2ncncc2Cl)c2ccccc2S1 89930055 NSQYHMGCWNUASV-JTQLQIEISA-N 319.817 3.661 0 40 DHAB Cc1cc([C@H](C)NCCc2nnc3n2CCCCC3)c(C)s1 95419792 WLQSHTAPSAQFNB-ZDUSSCGKSA-N 318.490 3.576 0 40 DHAB C[C@H](CCc1ccc(Br)cc1)NC1CCOCC1 95420728 NSSMWYPJMGBSEG-GFCCVEGCSA-N 312.251 3.539 0 40 DHAB COc1ccc([C@H](C)[C@H](C)NCCc2ncc(C)s2)cc1 95423295 VRDJJHUMCQFDFW-KGLIPLIRSA-N 304.459 3.784 0 40 DHAB C[C@H](NC[C@@]1(CCO)CCOC1)c1cc2cc(Cl)ccc2o1 96493447 GVEBJMUZFXQCTI-YVEFUNNKSA-N 323.820 3.526 0 40 DHAB CS[C@@H]1CC[C@H](NC(=O)N(C2CC2)[C@H](C)c2ccco2)C1 108100825 DSXMPPVTLDPPRD-MBNYWOFBSA-N 308.447 3.799 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F 113950922 RWUDDLCJOWFPRU-HNNXBMFYSA-N 309.287 3.900 0 40 DHAB NC(=O)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 216948601 CFJPHVAGVUBFOZ-UHFFFAOYSA-N 302.736 3.581 0 40 DHAB CCOc1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)cc1 216957742 NBSZSKWUOIUVBO-UHFFFAOYSA-N 323.348 3.735 0 40 DHAB CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccs1 225129149 OLXDSJSTDLWSGZ-UHFFFAOYSA-N 322.238 3.880 0 40 DHAB C[C@H](OC(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@H]1C 245228161 HTNKJHFZLVXDDT-TYNCELHUSA-N 323.820 3.580 0 40 DHAB Cc1ccc([C@H]2CN(Cc3ccc4ncccc4c3)CCO2)nc1 257312829 UPSUDWOPMKECOT-HXUWFJFHSA-N 319.408 3.512 0 40 DHAB CC(=O)N[C@@]1(C)C[C@H](c2ccccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 257315263 VAODEMNOKNWWIO-RWULDMNWSA-N 317.429 3.553 0 40 DHAB Cc1cc(C)nc(SCC(=O)Nc2ccc(C(F)F)cc2)n1 408543679 PZXPUIWPVDMQRJ-UHFFFAOYSA-N 323.368 3.762 0 40 DHAB O=C(N1CC(C(F)F)C1)C1(c2ccc(Cl)cc2)CCCC1 585391452 LQTGPGLOIWIMKL-UHFFFAOYSA-N 313.775 3.875 0 40 DHAB Cc1ncsc1CN1CC(n2c(C3CC3)nc3ccccc32)C1 1775974040 VSKWETHVFNVIHB-UHFFFAOYSA-N 324.453 3.736 0 40 DHAB CCc1ccc(C(=O)CSc2ccccc2C(=O)O)cc1 240055 PTHNBNXHWCFLHA-UHFFFAOYSA-N 300.379 3.922 0 40 DHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1)c1ccc(Cl)cc1 1368835 NQVALRZZPIFDRZ-IRXDYDNUSA-N 318.848 3.618 0 40 DHAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)O1 4603957 GFNYGSJTVOPVCO-GOEBONIOSA-N 315.756 3.583 0 40 DHAB Cc1c(F)cccc1NS(=O)(=O)C12CC3CC(CC(C3)C1)C2 4694125 XSIVJUOJADEGRE-UHFFFAOYSA-N 323.433 3.845 0 40 DHAB Cc1nc(SCC(=O)c2ccc[nH]2)c2c(C)c(C)sc2n1 5271544 MIWOLGWIWTWHSP-UHFFFAOYSA-N 317.439 3.920 0 40 DHAB Cc1cccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)c1 5556170 FEAJCCMDJXYLGV-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1ccccc1 6455664 GEBFEINNCBJSQZ-CYBMUJFWSA-N 307.349 3.525 0 40 DHAB COc1ccc(NC(=N)SCc2ccc(CN(C)C)o2)cc1 6625026 IBQZRBKFCPECLQ-UHFFFAOYSA-N 319.430 3.630 0 40 DHAB O=C(NCc1ccc(Cl)cc1Cl)c1n[nH]c2ccccc12 7942385 JJEJNQSTPVPSCW-UHFFFAOYSA-N 320.179 3.800 0 40 DHAB O=Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)no2)c1 8006816 JBKBNZKQYJKVAF-UHFFFAOYSA-N 314.728 3.782 0 40 DHAB Cc1ccccc1NC(=O)c1ccccc1OC[C@H]1CCCO1 8944606 NOLSRLBLKVDUEN-OAHLLOKOSA-N 311.381 3.805 0 40 DHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1 9064173 VJIDEWBBBUXXRQ-UHFFFAOYSA-N 312.438 3.993 0 40 DHAB CCc1ccc(CCC(=O)Nc2cccc(C(=O)OC)c2)cc1 10332383 IPGFVYLMKVBNSK-UHFFFAOYSA-N 311.381 3.607 0 40 DHAB CC[C@@H](Sc1nc(C(C)C)n[nH]1)C(=O)Nc1ccc(F)cc1 10532472 IEGVZVNBEPPBBG-GFCCVEGCSA-N 322.409 3.577 0 40 DHAB O=C(OCc1cccc2cccnc12)C1C[C@@H]2CCC[C@H](C1)C2=O 10868213 CSHLUPNFAKFYLN-FKEKPDDDSA-N 323.392 3.673 0 40 DHAB COc1ccc(C2=NC[C@H](CSc3ccccn3)S2)cc1 12531019 PJYUXQBTJUWYMR-CQSZACIVSA-N 316.451 3.745 0 40 DHAB C[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccc(F)c(F)c1 12582153 YJIBZJIRELTIPM-NSHDSACASA-N 322.330 3.707 0 40 DHAB CC(=O)c1c(C)[nH]c(-c2csc(NC[C@@H]3CCCO3)n2)c1C 12601641 YGFLEHLCYNSULG-LBPRGKRZSA-N 319.430 3.549 0 40 DHAB CCOc1cc2ccccc2cc1C(=O)NCc1ccccn1 14095828 SIYPISHUJVBEIV-UHFFFAOYSA-N 306.365 3.564 0 40 DHAB CC(C)C(=O)N1CCCCC[C@H]1c1cc(C(F)(F)F)nn1C 19085705 MAWQUNNYRUEZKN-NSHDSACASA-N 317.355 3.539 0 40 DHAB O=C(CCCc1ccccn1)N(Cc1ccccn1)C1CCCC1 19401306 YPBKWZBORGXZAC-UHFFFAOYSA-N 323.440 3.771 0 40 DHAB COc1ccc(CN2C(=O)CS[C@@H]2c2ccc(C)cc2)cc1 19927314 RVDYHYIWQLTOMQ-GOSISDBHSA-N 313.422 3.778 0 40 DHAB COc1ccc(N)cc1NC(=O)c1cc(Cl)ccc1Cl 21816667 VHDPNOYDSONYEH-UHFFFAOYSA-N 311.168 3.837 0 40 DHAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCCC(C)C 22245462 IXIWDJLUIBAIFJ-UHFFFAOYSA-N 317.458 3.995 0 40 DHAB CC(C)N(CCNC(=O)Cc1ccc2ccccc2c1)C(C)C 22623050 LYKTYVSTSFNOGE-UHFFFAOYSA-N 312.457 3.617 0 40 DHAB CN(C)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 25329755 YQYISKFWOAWNPE-AWEZNQCLSA-N 314.410 3.527 0 40 DHAB Cc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)n1C 30465461 XTNGXNHGRIHAPK-LLVKDONJSA-N 321.218 3.587 0 40 DHAB Cc1nc(CC(=O)N(C)[C@@H]2CCCc3ccccc32)cs1 32481003 NISUYYSDZWQLLR-MRXNPFEDSA-N 300.427 3.530 0 40 DHAB Cc1ccc(NC(=O)NCc2nc3ccccc3[nH]2)cc1Cl 32797160 QDNZYNCJPGNBIB-UHFFFAOYSA-N 314.776 3.846 0 40 DHAB Cc1c(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cnn1C 32879975 HUDSBETYSXKNPQ-UHFFFAOYSA-N 311.429 3.657 0 40 DHAB COc1ccc2nc(NC(=O)/C=C\c3ccccc3)sc2c1 33293298 MMURPMJHHIRRJA-YFHOEESVSA-N 310.378 3.957 0 40 DHAB COc1ccc(C(=O)c2ccc(Br)cc2C)cc1 36829437 BPSMNGCSEFYKPV-UHFFFAOYSA-N 305.171 3.997 0 40 DHAB C[C@H](NC(=O)c1cccc2[nH]ncc12)c1cc2ccccc2o1 42018378 OAUWVAYSQNNVBC-NSHDSACASA-N 305.337 3.800 0 40 DHAB O=C([C@H]1CC=CCC1)N1CCn2cccc2[C@@H]1c1ccccc1 44575978 AQKNWULUHFPSAB-HKUYNNGSSA-N 306.409 3.776 0 40 DHAB O=C(CSCc1ccccn1)Nc1ccc(OC(F)F)cc1 44973646 ZVCUMDAIBZGLHT-UHFFFAOYSA-N 324.352 3.555 0 40 DHAB Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc2c(c1)CCC2 47320570 MKDXPBWAVCEFNW-UHFFFAOYSA-N 319.364 3.786 0 40 DHAB CC(C)c1ccccc1NC(=O)CCCNC(=O)C(C)(C)C 48324557 GOFPAWGBZYTNSU-UHFFFAOYSA-N 304.434 3.691 0 40 DHAB CCCC(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48885360 JZSZMMFGRKCTBS-HZPDHXFCSA-N 302.462 3.581 0 40 DHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCc2ccccc21 57412414 ZJPFSPWULSHTMC-UHFFFAOYSA-N 323.783 3.933 0 40 DHAB CC(C)CC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 58264465 LCVPUKFHJAEILN-UHFFFAOYSA-N 310.825 3.805 0 40 DHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCOCC1 58380702 GFAQAINGYAHUQY-QZTJIDSGSA-N 301.430 3.598 0 40 DHAB COc1ccccc1C[C@H]1CCCN1C(=O)/C=C/c1ccco1 58987356 GKVYNRNYIBUQAF-SIFUEBAJSA-N 311.381 3.535 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@H]1c1ccco1 67022691 ZAGYOMZDWBISDL-MNOVXSKESA-N 311.366 3.540 0 40 DHAB Cc1cccc(NC(=O)c2cccc(Br)c2C)n1 68740817 PZYILDPNVXYHLW-UHFFFAOYSA-N 305.175 3.713 0 40 DHAB COc1c(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c(C(C)C)nn1C 69418565 TYFIMEVQDVXJFN-GXTWGEPZSA-N 317.433 3.558 0 40 DHAB CN(CCc1cccc2ccccc12)Cc1nnc(C2CC2)n1C 69454572 DJDPOJQBLDCXFY-UHFFFAOYSA-N 320.440 3.520 0 40 DHAB C[C@@H](NC(=O)Cc1cccs1)c1nc(C(C)(C)C)cs1 71882885 PCBUPHWVSRTKFT-SNVBAGLBSA-N 308.472 3.922 0 40 DHAB CCCCOC(=O)[C@@H](C)Sc1nnc(-c2cccs2)o1 71922120 BGZOWZKZHDQJKA-SECBINFHSA-N 312.416 3.622 0 40 DHAB COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccco2)c1 83973280 UIMPFTZUCHOPDN-BBWFWOEESA-N 311.381 3.755 0 40 DHAB CC[C@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1F 84734137 BJIIIOCIGYJTQY-WBMJQRKESA-N 305.372 3.780 0 40 DHAB CC(C)(C)c1ccc(C(=O)Nc2cnc(N3CCCC3)nc2)cc1 85470450 DHBVACYCZKPGIE-UHFFFAOYSA-N 324.428 3.627 0 40 DHAB COc1cc(CN2CCC[C@@H]2c2ccco2)cc(OC)c1OC 93335327 KIJDPMMGSSHLMK-CQSZACIVSA-N 317.385 3.643 0 40 DHAB O=C(Nc1ccc(CCO)cc1)c1c[nH]cc1-c1ccc(F)cc1 95417575 RXGGHFLZRLYQBD-UHFFFAOYSA-N 324.355 3.608 0 40 DHAB CC(=O)c1c(C)nc(C)nc1SCc1csc(C2CC2)n1 95442160 BMMQDTXHASJOND-UHFFFAOYSA-N 319.455 3.922 0 40 DHAB C[C@@H](OC(=O)c1ncoc1[C@H]1CCCO1)c1ccc(F)c(F)c1 95449803 UXWPXZLFAYCCJP-NOZJJQNGSA-N 323.295 3.722 0 40 DHAB Cc1c(C(=O)O[C@@H](C)c2cccnc2)ccc2cnc(C3CC3)n12 95468953 ICRWWXXBFVJOSA-ZDUSSCGKSA-N 321.380 3.833 0 40 DHAB Cc1nc(CN(C)Cc2c[nH]nc2-c2ccccc2F)cs1 95982432 YCAIOSBLBCRKQF-UHFFFAOYSA-N 316.405 3.613 0 40 DHAB O=C(c1ccccc1Cl)N(Cc1ccco1)C1CCOCC1 96097092 JJTKSAQSIPOTFL-UHFFFAOYSA-N 319.788 3.754 0 40 DHAB CO[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1C 96104965 TUDGSGJWAAEPTC-HNNXBMFYSA-N 321.779 3.905 0 40 DHAB CN(C)Cc1ccnc(NCc2cccc(-c3ccncc3)c2)c1 97045293 OUFDAKXEVNPBQP-UHFFFAOYSA-N 318.424 3.817 0 40 DHAB CC[C@@H](c1ccc(F)cc1F)[S@@](=O)Cc1nc(C)c(C)o1 97083627 JETVRKNUSUADIL-LHSJRXKWSA-N 313.369 3.970 0 40 DHAB Cc1cc(C)nc(NC(=S)NCc2ccccc2Cl)c1 223934176 PQUSONPVVYPIRD-UHFFFAOYSA-N 305.834 3.838 0 40 DHAB CCCOCc1cc(C(=O)NCc2ccccc2)ccc1OC 224410598 MBFBUYKNEMAZRT-UHFFFAOYSA-N 313.397 3.552 0 40 DHAB CCSc1nnc(NC(=O)c2ccccc2OC(C)C)s1 224614699 GXBJTAZLZFBMKH-UHFFFAOYSA-N 323.443 3.690 0 40 DHAB COc1cccc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)c1 225071462 JCSKDTWXKRWRER-MRXNPFEDSA-N 320.772 3.732 0 40 DHAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)OCC1(CC1)CO2 225364724 CADLQXPIGAVLAR-UHFFFAOYSA-N 313.328 3.629 0 40 DHAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(F)c2)cc1 225641041 BKGOCHPBVHCJFT-ZDUSSCGKSA-N 318.417 3.888 0 40 DHAB CCc1cc(Br)cc(C)c1NC(=O)c1coc(C)n1 226096583 YTSKEIYMMVEETD-UHFFFAOYSA-N 323.190 3.869 0 40 DHAB COc1ccc([C@H](O)c2ccc3c4c(cccc24)CC3)cc1N 226295823 JZQAAYVMDLLNOZ-FQEVSTJZSA-N 305.377 3.611 0 40 DHAB CC(C)C(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226352327 IYWFTEZDEQCVRG-UHFFFAOYSA-N 307.733 3.893 0 40 DHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 248380754 RCEYFYWIRNYBBS-YQYZPQCESA-N 309.409 3.912 0 40 DHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1noc2c1CCCC2 253472786 PJPQGGNRHZQTHF-GFCCVEGCSA-N 324.380 3.661 0 40 DHAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1O 409118932 QOBZQTPWPJQXMG-GHXNOFRVSA-N 305.255 3.904 0 40 DHAB Cc1ccc(-c2nnc(NC(=O)Cc3ccccc3)s2)cc1 103601 CCKLUNTUGAJJNL-UHFFFAOYSA-N 309.394 3.695 0 40 DHAB C[C@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 144661 WODRSVDCJXWKFV-LBPRGKRZSA-N 310.422 3.631 0 40 DHAB CC(C)CNc1ncnc2c1cnn2-c1ccc(Cl)cc1 528997 WDCQBQHTAJTKMU-UHFFFAOYSA-N 301.781 3.537 0 40 DHAB COc1ccccc1CNC(=O)CCSc1ccc(C)cc1 555112 SKHDIQIPLCGNAC-UHFFFAOYSA-N 315.438 3.802 0 40 DHAB CCC(=O)N(CC(C)C)c1nnc(-c2ccc(C)cc2)s1 1356392 NYKCCIDGUDISTI-UHFFFAOYSA-N 303.431 3.913 0 40 DHAB COCCCNCC[C@H](CCC(C)C)c1ccc2c(c1)OCO2 2230045 HUNJLBDDZDWCKK-INIZCTEOSA-N 321.461 3.951 0 40 DHAB CCn1nc(C)c(/C=C/C(=O)Nc2ccc(F)cc2C)c1C 2761444 MXBFGGRUVBLQAY-VQHVLOKHSA-N 301.365 3.619 0 40 DHAB Cn1c2ccccc2c2nn(-c3ccc(Cl)cc3)c(=O)cc21 3152621 JLCCVOWBKZCYFW-UHFFFAOYSA-N 309.756 3.531 0 40 DHAB O=C(c1ccc2c(c1)CCCC2)N1CCN(c2ccccc2)CC1 4059538 BWEUWJTVYACCFN-UHFFFAOYSA-N 320.436 3.528 0 40 DHAB C[C@H](COC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)N1CCCC1 4411192 XMEWHLNQVHUJQI-XWSJACJDSA-N 317.473 3.953 0 40 DHAB COc1cccc(CNC(=O)COc2cccc3ccccc23)c1 5936591 XFHYNUPGMFIFLC-UHFFFAOYSA-N 321.376 3.544 0 40 DHAB CCCn1cc(/C=C2\SC(=O)N(C)C2=O)c2ccccc21 6325149 XCPANTMBUJHALF-ZROIWOOFSA-N 300.383 3.717 0 40 DHAB CC(C)OCCCNC(=O)C(c1ccccc1)c1ccccc1 6328099 LJLZAVWRQHGUGE-UHFFFAOYSA-N 311.425 3.750 0 40 DHAB Cc1ccc(Sc2ccc(/C=C3/SC(=N)NC3=O)o2)cc1 6857649 IDXXVZYCFKXLEB-XYOKQWHBSA-N 316.407 3.878 0 40 DHAB CC[C@H](Oc1ccc(SC)cc1)C(=O)Nc1cc(C)on1 9496882 ZCENRVCZCLWKMQ-ZDUSSCGKSA-N 306.387 3.501 0 40 DHAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1cc(F)cc(F)c1 10340848 RDQHKROYCXDGLX-QGZVFWFLSA-N 316.351 3.740 0 40 DHAB Cc1nc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2s1 10556498 URWBIAPEWSWMBN-UHFFFAOYSA-N 308.366 3.733 0 40 DHAB CCn1c(NC(=O)CSc2ccccc2)nc2ccccc21 10651068 GYIYVJBCBCCHBG-UHFFFAOYSA-N 311.410 3.787 0 40 DHAB Cc1cccc(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c1 12753333 SADFVDVBDHXCQN-GFCCVEGCSA-N 309.369 3.884 0 40 DHAB O=C(COc1ccccc1Cl)N1CC[C@H]2CCCC[C@H]2C1 13069588 DRJYAMRSZYAQQX-KGLIPLIRSA-N 307.821 3.758 0 40 DHAB O=C(NCc1ccco1)c1ccccc1OCc1ccccc1 13687033 HNMKHUDNWMUETF-UHFFFAOYSA-N 307.349 3.789 0 40 DHAB COc1ccccc1CCC(=O)NC1C2CC3CC(C2)CC1C3 14182781 RVHFDNCGROBAIN-UHFFFAOYSA-N 313.441 3.569 0 40 DHAB COc1ccc2cc3c(nc2c1)N(C(=O)C1CCCCC1)CC3 15842107 PQMXFGLQYMDIEG-UHFFFAOYSA-N 310.397 3.713 0 40 DHAB c1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1 20405012 SNRZSONRAFJJSB-UHFFFAOYSA-N 309.438 3.619 0 40 DHAB in-vivo CCCCOCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 23304955 FVEGZBXVRUWCAH-UHFFFAOYSA-N 308.809 3.758 0 40 DHAB Cc1cccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)c1 24580300 POZZTVBWHZVNQE-UHFFFAOYSA-N 323.436 3.612 0 40 DHAB CCc1cc(C(=O)Nc2cccc(-c3nnco3)c2)sc1C 24697990 ISONCFHSNXULGL-UHFFFAOYSA-N 313.382 3.921 0 40 DHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1onc2c1CCCC2 27662288 TZHHZNSGKNNSSK-JTQLQIEISA-N 320.776 3.613 0 40 DHAB C[C@]1(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1(Cl)Cl 29352278 AUWXHSIOVBDHPY-LLVKDONJSA-N 316.213 3.661 0 40 DHAB O=C(Nc1nncs1)c1ccc(CSc2ccccc2)o1 30611540 IHPXYBURHWRBMM-UHFFFAOYSA-N 317.395 3.676 0 40 DHAB c1ccc([C@H](NCc2ccco2)c2ccc3c(c2)OCO3)cc1 31815966 YIWCSHQSZGCQDJ-IBGZPJMESA-N 307.349 3.888 0 40 DHAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccco3)s2)o1 33144977 UHCJLMBFUPWHAY-UHFFFAOYSA-N 302.355 3.543 0 40 DHAB O=C(NOCc1ccccc1)c1cnc(-c2ccccc2)s1 40106547 BYAUPHFGWFLFDV-UHFFFAOYSA-N 310.378 3.672 0 40 DHAB COc1ccc(NCc2n[nH]c(-c3cccc(Cl)c3)n2)cc1 40174471 XMMFJHMUMNNTEN-UHFFFAOYSA-N 314.776 3.746 0 40 DHAB CC(C)[C@@H](Sc1ncc2ccccn12)C(=O)NC1CCCC1 42992115 IYDOGEPTOQDCKO-OAHLLOKOSA-N 317.458 3.510 0 40 DHAB CCc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 45382893 NCPXRGQMDJBQLV-CYBMUJFWSA-N 313.397 3.757 0 40 DHAB CN(Cc1cscn1)C(=O)CCCOc1ccccc1Cl 50345981 WXRRNUJQGZLVJS-UHFFFAOYSA-N 324.833 3.614 0 40 DHAB CCOC(=O)N(C)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 54312930 MCNSLPBZKJLNEQ-ZDUSSCGKSA-N 302.374 3.574 0 40 DHAB Cc1nc(NC(=O)N[C@H]2CCc3cc(F)ccc32)sc1C 56555150 HOIFFLDWIPVNSB-ZDUSSCGKSA-N 305.378 3.708 0 40 DHAB CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(OC)c1 62170278 QQCSOFFITCMUCV-UHFFFAOYSA-N 300.354 3.759 0 40 DHAB Cc1cc(N[C@@H](C)Cc2ncccc2C)nc(-c2cccnc2)n1 65426869 MGIPRCJZPCSSOZ-AWEZNQCLSA-N 319.412 3.594 0 40 DHAB CC(C)N1CC[C@H](Nc2nc(C(F)(F)F)nc3ccccc23)C1 69000746 DVNWDSIJVYVQKU-NSHDSACASA-N 324.350 3.543 0 40 DHAB CCN(Cc1c(F)cccc1F)C(=O)N[C@H](C)c1ccncc1 69349029 ONMATKABPQHHCJ-GFCCVEGCSA-N 319.355 3.653 0 40 DHAB CC[C@@H](C)n1ncc2c(C(=O)Nc3ncccc3C)cc(C)nc21 69380118 SILDYKPHYPXZTK-CYBMUJFWSA-N 323.400 3.666 0 40 DHAB O=C(Cc1cccc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 71415917 WMIMITJHZVOBQD-UHFFFAOYSA-N 303.833 3.968 0 40 DHAB C[C@@H](SCc1csc(-c2cccs2)n1)C(=O)NC1CC1 71818630 IHEIPPMOMIIRNL-SECBINFHSA-N 324.496 3.772 0 40 DHAB CCc1noc(C)c1C(=O)N1CCCC[C@H]1c1nc(C)cs1 72232467 DGNQDWXGIZCQIS-ZDUSSCGKSA-N 319.430 3.678 0 40 DHAB Cc1ncsc1CN(C)C(=O)c1ccc2[nH]c(=S)oc2c1 73492057 MGRJLIDROSBDHF-UHFFFAOYSA-N 319.411 3.528 0 40 DHAB Cc1csc(C(C)(C)NC(=O)Nc2sc(C)nc2C)n1 75107811 RFHUBLQIKXTZHD-UHFFFAOYSA-N 310.448 3.582 0 40 DHAB Cc1ccc([C@H]2CCCN2C(=O)CCc2c(C)n[nH]c2C)cc1 78586591 JUPCFIGJOWKSHG-GOSISDBHSA-N 311.429 3.631 0 40 DHAB COc1ccc(CNc2cc(C)c(NC(C)=O)c(C)c2)s1 95418552 GEIYTBVOUHQVSS-UHFFFAOYSA-N 304.415 3.944 0 40 DHAB Cc1ccc2oc(N(Cc3ccccc3)[C@@H](C)CCO)nc2c1 95458771 VZALMADWUQYWLR-HNNXBMFYSA-N 310.397 3.914 0 40 DHAB CC[C@@H](c1ccc(F)cc1F)N1CCC(N2CCCC2=O)CC1 96414871 CZIMJLLPOPAHIJ-KRWDZBQOSA-N 322.399 3.503 0 40 DHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccnc2-n2ccnc2C)C1(C)C 96999291 DRZKEVXJKOKCBQ-GDBMZVCRSA-N 324.428 3.753 0 40 DHAB CCCCN(C(=O)c1ccc(F)cc1)C1C[C@H]2CC[C@H](C1)N2C 100047629 IIVNAMSBBQUJCZ-IAGOWNOFSA-N 318.436 3.693 0 40 DHAB OC[C@H]1CC[C@@H](N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 101693208 GMMCFLBYXLATLO-ZOBUZTSGSA-N 301.430 3.574 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 169619661 MSFKJQSFWWCTGC-IMNPFHOJSA-N 313.397 3.662 0 40 DHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)cc1 224682500 VJFAZBUCANWSSS-UHFFFAOYSA-N 303.427 3.944 0 40 DHAB O=C(O)c1cccc(C(=O)Nc2ccccc2CC(F)(F)F)c1 225482988 JZGVHVHLWZLWPT-UHFFFAOYSA-N 323.270 3.742 0 40 DHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(F)cc1 225581404 JSSSMYSLNVRCOC-INIZCTEOSA-N 323.481 3.767 0 40 DHAB Cc1ccc2oc(=O)c(C(=O)N[C@@H](C)c3ccccc3)cc2c1 226036207 IUERWHMPPMKVQR-ZDUSSCGKSA-N 307.349 3.592 0 40 DHAB Nc1ccc(NC(=O)/C=C/c2ccccc2)c(Br)c1 227157933 HFTRNOYQABNFDG-RMKNXTFCSA-N 317.186 3.683 0 40 DHAB O=C(/C=C/c1cccs1)NCc1cccnc1-c1cccnc1 253474749 KASYNVIHIIIXFO-BQYQJAHWSA-N 321.405 3.535 0 40 DHAB O=C(CSCc1cccc(Cl)c1)NCCc1ccccc1 255935827 YULLUYQEFKZNRW-UHFFFAOYSA-N 319.857 3.932 0 40 DHAB Cc1ccccc1C(=O)N1CCn2c(-c3cccs3)cnc2C1 306133274 MHAWJKSFYHYCJH-UHFFFAOYSA-N 323.421 3.576 0 40 DHAB CCOC(=O)CSc1nc(C)cc(-c2ccc(Cl)cc2)n1 409385034 ICVVGBHSBWHVCB-UHFFFAOYSA-N 322.817 3.761 0 40 DHAB O[C@@H](c1cccc(-c2ccc(OC3CC3)cc2)n1)C(F)(F)F 527587038 CLPNBZIBQSBZCG-HNNXBMFYSA-N 309.287 3.886 0 40 DHAB O=C(CCc1ccccc1F)NCc1cncc(-c2ccco2)c1 575617429 AKQRHCOCDICSEV-UHFFFAOYSA-N 324.355 3.730 0 40 DHAB CCCc1sc(-n2cccc2)nc1C(=O)Nc1cccnc1 1565524162 CUZTYGYTCBXCBK-UHFFFAOYSA-N 312.398 3.534 0 40 DHAB CCc1ccc(Nc2ncnc(C3CCOCC3)c2F)cc1 1888859580 XPSPXGDKNJNZQO-UHFFFAOYSA-N 301.365 3.816 0 40 DHAB S=C(NC1CCCCC1)N1CCCC[C@@H]1c1cccnc1 240142 PQQACCVEEUMVHN-MRXNPFEDSA-N 303.475 3.816 0 40 DHAB biogenic Cc1cc2cccc(C)c2nc1SCC(=O)NC(C)(C)C 411929 SYGXBZQQMSFDOI-UHFFFAOYSA-N 302.443 3.858 0 40 DHAB COc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 423933 DRRUCDHMJYXWIK-MRXNPFEDSA-N 303.358 3.613 0 40 DHAB Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3C)nc2c1 483695 DAEKFZFLRXXQDH-UHFFFAOYSA-N 311.410 3.911 0 40 DHAB CSc1nc(NN)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 507625 QTBOCTUGXGBZEU-MRVPVSSYSA-N 322.503 3.850 0 40 DHAB CCOc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 1514778 AZDNHWOSRQDECU-UHFFFAOYSA-N 302.399 3.673 0 40 DHAB COc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@@H]12 1637510 CQOQDQWUFQDJMK-RSADAIHESA-N 302.414 3.618 0 40 DHAB Cc1nn(C(=O)[C@]2(C)CC2(Cl)Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 2140005 MCUSISQBVWANQN-UGQGEIBHSA-N 313.228 3.711 0 40 DHAB biogenic O=S(=O)(Oc1cccc(Cl)c1Cl)c1ccccc1 2182621 RXATVYFHLMDSIW-UHFFFAOYSA-N 303.166 3.761 0 40 DHAB O=C(c1ccc(CN2CCC2)cc1)c1cc(F)cc(Cl)c1 2514636 ZHKBXYPSEWOVJV-UHFFFAOYSA-N 303.764 3.916 0 40 DHAB CCCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCCCC2 2752465 IQEZATLBIBXTMO-UHFFFAOYSA-N 321.442 3.932 0 40 DHAB Cc1ccc(NC(=O)CSc2nc(C)cc(C(F)F)n2)cc1 2772072 XOVJBHSOXKZILB-UHFFFAOYSA-N 323.368 3.762 0 40 DHAB Cc1sc2ncn(-n3cccc3)c(=O)c2c1-c1ccccc1 3270688 BBYVWKFCWKTBCY-UHFFFAOYSA-N 307.378 3.546 0 40 DHAB Cc1ccccc1NC(=O)c1cnc(C(C)(C)C)c(Cl)n1 3851953 PKZZWULORYBVQE-UHFFFAOYSA-N 303.793 3.988 0 40 DHAB biogenic CCOc1ccc([C@@H](CN)c2c[nH]c3ccccc23)cc1OC 4207203 QUPDYGZDDZXIRU-OAHLLOKOSA-N 310.397 3.666 0 40 DHAB CC[C@@H]1CC[C@@H]2[C@H](CC[C@@]3(N(C)C)CC[C@@H](OC)[C@@H](OC)[C@H]23)C1 5339247 JGYKCSORDIHDBG-BYXVQRNISA-N 323.521 3.963 0 40 DHAB Cc1cc(NC(=O)c2cccs2)ccc1N1CCCCC1=O 5441364 NNEJLOUGTZDVQQ-UHFFFAOYSA-N 314.410 3.826 0 40 DHAB Cn1cccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 5552666 JGVFXEMYLYYBLR-UKTHLTGXSA-N 318.785 3.919 0 40 DHAB Clc1ccc(-c2csc(N3CCN4CCC[C@H]4C3)n2)cc1 5731174 OEVKPPCAYSTFIC-AWEZNQCLSA-N 319.861 3.748 0 40 DHAB Cc1ccc(S(=O)(=O)Nc2nc3c(C)cccc3s2)cc1 5941830 LEDHIHBPHFWOJH-UHFFFAOYSA-N 318.423 3.714 0 40 DHAB CCNC(=S)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 6561299 AQICQVHVCLLICA-INIZCTEOSA-N 324.877 3.505 0 40 DHAB CCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 6919911 BFLGMBWBZRROQN-UHFFFAOYSA-N 305.381 3.827 0 40 DHAB N=C1S/C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1F 6926949 FVNWCVLGKZCITN-KYZCRKBBSA-N 314.341 3.587 0 40 DHAB Cc1cc(C)cc(OCC(=O)Nc2nc3c(s2)CCCC3)c1 7642530 HZEDFUHMGKWWFE-UHFFFAOYSA-N 316.426 3.656 0 40 DHAB COc1ccc(/C=C/C(=O)Nc2c(F)cccc2F)cc1OC 8163796 LVMGLQCMJAAHCD-VQHVLOKHSA-N 319.307 3.634 0 40 DHAB Cc1ccc(OCCNC(=O)c2ccc3c(c2)CCCC3)cc1 8301082 XWCHNCCDVZRYLZ-UHFFFAOYSA-N 309.409 3.683 0 40 DHAB CCN(CC)CCC[C@@H](C)Nc1ncnc2ccc(OC)cc12 8581069 HMNVCGOGXCDHBT-CQSZACIVSA-N 316.449 3.561 0 40 DHAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN1CCC(C)CC1 8717524 UWUHYMLLUJMLME-UHFFFAOYSA-N 313.445 3.547 0 40 DHAB O=C1Cc2cc(-c3csc(NCc4ccco4)n3)ccc2N1 9502713 ILECHVNCUOKLBE-UHFFFAOYSA-N 311.366 3.510 0 40 DHAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)s1 10132778 FKEPMHAQNBZZFP-SECBINFHSA-N 322.817 3.851 0 40 DHAB COc1ccccc1-c1nc(COC(=O)c2ccco2)cs1 10669287 IXOCVVOXHNIMIS-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB Cc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C 11614182 UCLXUJJPGZHFOC-OAHLLOKOSA-N 315.438 3.752 0 40 DHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 12170242 HDWDFQCOCPBEAT-SOLBZPMBSA-N 319.489 3.702 0 40 DHAB CNc1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12220047 SPLRTCVHOQHVBB-UHFFFAOYSA-N 315.442 3.787 0 40 DHAB COc1cccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)c1 12566069 WTLAVBAIIMUMRM-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(Cl)ccn1 12586434 YYJIXPAPLIPGMW-UHFFFAOYSA-N 315.587 3.972 0 40 DHAB CCc1sc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)cc1C 12992810 JUYCRHQTGLLQIR-RMKNXTFCSA-N 315.394 3.969 0 40 DHAB O=C(Nc1cccc2cn[nH]c12)c1csc(-c2ccccc2)n1 13011778 KRNSKPOOOJCJBI-UHFFFAOYSA-N 320.377 3.939 0 40 DHAB O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 14108742 ICJJLXGKFDVPJQ-UHFFFAOYSA-N 319.763 3.758 0 40 DHAB O=C(Nc1cccc2c1CCCC2)c1cc2ccccc2oc1=O 15302784 VKWMQHZLZSIGES-UHFFFAOYSA-N 319.360 3.924 0 40 DHAB O=C(CCOc1ccccc1)Nc1cccc(Br)c1 15350915 LSUQZUBZRSPYNK-UHFFFAOYSA-N 320.186 3.857 0 40 DHAB Cc1cccc(NC(=O)[C@H](C)N(C)Cc2cccc(F)c2)c1 16374185 ADUJDDZPGKBGMQ-AWEZNQCLSA-N 300.377 3.593 0 40 DHAB CCOc1ccc(CN2CCc3nc4ccncc4cc3C2)cc1 19533350 SIGUVNYFIZUCQO-UHFFFAOYSA-N 319.408 3.587 0 40 DHAB Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 19736299 OUSROFSVKAESDI-NSHDSACASA-N 304.777 3.637 0 40 DHAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 21999586 MIHASGMYIDYJEQ-HNNXBMFYSA-N 313.397 3.568 0 40 DHAB COc1cccc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)c1 22753612 MJWQKXHAIJRNEM-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB O=C(CSCc1ccccc1)Nc1cccc(-c2cc[nH]n2)c1 24882170 SFMVHRIVZAVQHF-UHFFFAOYSA-N 323.421 3.949 0 40 DHAB Cc1cccc(OCCN(C)C(=O)c2cc3cc(C)ccc3[nH]2)c1 29553460 LXNMKOOMLWXDNG-UHFFFAOYSA-N 322.408 3.936 0 40 DHAB COc1cccc(C(=O)N(Cc2cccc3[nH]ccc23)C2CC2)c1 32095527 VGBJPPMAUKJMDC-UHFFFAOYSA-N 320.392 3.981 0 40 DHAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 32738308 DXDXNAPNMUTYKY-KGLIPLIRSA-N 323.396 3.516 0 40 DHAB COc1cc(N)cc(OC)c1Cc1ccc(Br)cc1 32911435 GYMIOMFJRVLBSW-UHFFFAOYSA-N 322.202 3.639 0 40 DHAB CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 32916572 ONFROECMOQDUCK-SNVBAGLBSA-N 319.829 3.677 0 40 DHAB CCN(CC)CCN(CC(C)C)C(=O)Nc1ccc(F)cc1 36394069 VJLMUTDKNMSNEG-UHFFFAOYSA-N 309.429 3.657 0 40 DHAB CCOC(=O)c1ccoc1CSc1nc2ccccc2[nH]1 36812820 RYMQSJOZFYFWPL-UHFFFAOYSA-N 302.355 3.625 0 40 DHAB Cc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2)cc1 38752783 NDLBQNDBRNTWCY-UHFFFAOYSA-N 303.789 3.686 0 40 DHAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCc2ccccc21 39969212 AKQJVBNYRXIHTP-UHFFFAOYSA-N 315.756 3.662 0 40 DHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(Cl)cc1 40509222 NSHJHOKLPDXGKI-UHFFFAOYSA-N 316.744 3.549 0 40 DHAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCO[C@H]2CCCC[C@H]21 46495266 RICBWWONIQARDJ-RQJABVFESA-N 319.367 3.525 0 40 DHAB CCSc1ccccc1NC(=O)NCc1nc(C)cs1 47857260 UJFLPVKVIJOTTH-UHFFFAOYSA-N 307.444 3.885 0 40 DHAB CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1Cl 48278711 DPLMJWGPVDJUFP-DGCLKSJQSA-N 301.839 3.587 0 40 DHAB O=C(NCc1ccc(Cl)s1)N[C@@H]1C[C@@H]1c1ccccc1 49053648 COTZXGZYSXNKPO-CHWSQXEVSA-N 306.818 3.757 0 40 DHAB C[C@H](c1ncnc(Cl)c1F)[C@@](C)(O)c1ccc(F)cc1F 56955847 WGWRADFMZDPUIH-NXSYQRQQSA-N 316.710 3.559 0 40 DHAB Cc1nccn1-c1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cn1 58245505 INVMOEPXSAXJCH-DYVFJYSZSA-N 322.412 3.582 0 40 DHAB Cc1noc(C)c1CNC(=O)N[C@H](C)c1cc2ccccc2o1 58418686 RXBYKEVMEAWMQS-LLVKDONJSA-N 313.357 3.598 0 40 DHAB Cc1c(NC(=O)Nc2cccc(Cl)c2)cccc1C(=O)O 61857446 VGMJRVNLSBPPRJ-UHFFFAOYSA-N 304.733 3.991 0 40 DHAB CCCOc1cccc(NC(=O)N(CC)C[C@H]2CCCO2)c1 62580573 YAZMNDBTOWNXGF-MRXNPFEDSA-N 306.406 3.508 0 40 DHAB CCOc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1 65476186 FBKXUJWIGLYOHA-UHFFFAOYSA-N 311.385 3.677 0 40 DHAB CC[C@H](C)[C@@H](NC(=O)CC(F)(F)F)c1nc2ccccc2[nH]1 65590625 RUOLLNNGVRSGNN-TVQRCGJNSA-N 313.323 3.719 0 40 DHAB O=C(C=C(C1CC1)C1CC1)Nc1cccnc1N1CCCCC1 65863257 HQJNCPWPHQQNBI-UHFFFAOYSA-N 311.429 3.757 0 40 DHAB CCc1[nH]nc(NC(=O)Nc2ccccc2C(F)(F)F)c1C 69698354 RDWKQYOSMOKERJ-UHFFFAOYSA-N 312.295 3.943 0 40 DHAB CCCCCN(C)c1ccc(F)cc1CNC1CCC(O)CC1 72312283 CKGSKWFJDUGRCD-UHFFFAOYSA-N 322.468 3.845 0 40 DHAB CN(Cc1ccc(C(F)(F)F)cc1)C1CCC(CO)CC1 79105438 RTMDHYKCOLBAAO-UHFFFAOYSA-N 301.352 3.688 0 40 DHAB CC(=O)Nc1cccc([C@H](C)NC(=O)CC2=CCCCC2)c1 84656124 ZZIKZMWEZPWZKZ-ZDUSSCGKSA-N 300.402 3.713 0 40 DHAB COCCC1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCC1 89410087 CSAWVSWFKZNNOU-UHFFFAOYSA-N 305.462 3.526 0 40 DHAB CCN(C(=O)c1cnc([C@H]2CCCO2)s1)c1cccc(F)c1 89759599 AJRKWFOYTBZVHE-CYBMUJFWSA-N 320.389 3.800 0 40 DHAB CCc1nnc(NC(=O)N(C)Cc2cc3ccccc3o2)s1 96445866 WJNJCETUIORYPQ-UHFFFAOYSA-N 316.386 3.511 0 40 DHAB Cc1c(CSC(C)C)cccc1NC(=O)NC(C)(C)CO 96462420 GIYDZLCUMHZLAN-UHFFFAOYSA-N 310.463 3.529 0 40 DHAB C[C@H]1CN(C(=O)Nc2nnc(C(F)F)s2)[C@H]1c1ccccc1 97099286 ALGIQCILEWPGCL-WCBMZHEXSA-N 324.356 3.701 0 40 DHAB COC(=O)c1ccc2c(c1)CCN2Cc1ccc2ncccc2c1 97101379 MVBCOGYKWRGJLD-UHFFFAOYSA-N 318.376 3.584 0 40 DHAB C[C@@H](CCC(=O)N1CCCCCC1)CC(=O)N1CCCCCC1 97139970 OWJFTYSLSZWPDZ-KRWDZBQOSA-N 322.493 3.598 0 40 DHAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100626704 MSFKJQSFWWCTGC-WKOIVZFLSA-N 313.397 3.662 0 40 DHAB CCn1/c(=N/C(=O)c2ccccc2)sc2cccc(F)c21 100909157 BJOYZCXSEZKGGT-VLGSPTGOSA-N 300.358 3.603 0 40 DHAB O=S(=O)(Nc1cccc2ncccc12)c1ccc(Cl)cc1 103397978 CIPQAVAGLLPMCP-UHFFFAOYSA-N 318.785 3.689 0 40 DHAB OCCOc1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 129486201 XCRHKACKZSNBDG-WCQYABFASA-N 303.324 3.591 0 40 DHAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 224604865 WWVIETRHFSYCDA-OAHLLOKOSA-N 313.397 3.856 0 40 DHAB Fc1cccc(F)c1NC(=S)NCCCc1ccccc1 225385076 UFQBBGLVZAJPER-UHFFFAOYSA-N 306.381 3.884 0 40 DHAB C[C@@H](CCc1ccccc1)Nc1ccc(C(=O)NC2CC2)cc1N 225449312 ZJGUEAZUQJLFLH-AWEZNQCLSA-N 323.440 3.594 0 40 DHAB COc1ccc(CC(=O)N[C@@H]2CCCc3ccccc32)cc1C 225604602 WPTSFVOWIFBFAT-GOSISDBHSA-N 309.409 3.740 0 40 DHAB CC(C)CSc1nnc(NC(=O)NC2CCCCC2)s1 225758813 NKYVYWVIMPNSFZ-UHFFFAOYSA-N 314.480 3.740 0 40 DHAB CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cn1 225888469 YYNLGOKGCQBZMJ-UHFFFAOYSA-N 320.433 3.938 0 40 DHAB CCCOc1ncc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225891041 OCSJSSWPXAKGEG-UHFFFAOYSA-N 320.433 3.713 0 40 DHAB NC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 226333420 RFIXVVPWLNVCFT-FNORWQNLSA-N 305.736 3.557 0 40 DHAB Cc1nccc(NCc2ccc(-c3ccccc3C(=O)O)cc2)n1 257217510 CZGRMGCBGAGOEN-UHFFFAOYSA-N 319.364 3.762 0 40 DHAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 408619132 GEUVDFWVCSZRAL-WTTBSCSTSA-N 322.191 3.695 0 40 DHAB Cc1ccccc1OCC(=O)NCCSC1CCCCC1 409029013 XBJWHKOOGXKAPA-UHFFFAOYSA-N 307.459 3.556 0 40 DHAB Clc1cccc(N2CCN(Cc3ccncc3)CC2)c1Cl 1204077017 CQHMYUCTEXJVTR-UHFFFAOYSA-N 322.239 3.711 0 40 DHAB CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O 145483 WQSSRBWZKQNHOE-UHFFFAOYSA-N 324.332 3.549 0 40 DHAB CC[C@@H](C)c1ccc(NC(=S)NCc2cc(C)n(C)n2)cc1 609650 DKCOLURUSLRNAV-GFCCVEGCSA-N 316.474 3.729 0 40 DHAB Cc1ccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1 1689561 RSLLZVWKCCWWFC-NRFANRHFSA-N 315.372 3.849 0 40 DHAB COc1ccc([C@@H]2C=C(c3ccc(C)cc3)NC(S)=N2)cc1 2491384 LYWHJBJIWRDEGC-KRWDZBQOSA-N 310.422 3.975 0 40 DHAB CCc1nc2ccccc2c(C(=O)O[C@@H]2CCCCC2=O)c1C 3377076 MDTABBQVXSTQCG-QGZVFWFLSA-N 311.381 3.774 0 40 DHAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1 4120339 FERATUCFRPFSLQ-UHFFFAOYSA-N 314.410 3.642 0 40 DHAB CCCCS(=O)(=O)CCCCCCCCCCC(=O)O 4429795 FGKIKHQZLAKXAG-UHFFFAOYSA-N 306.468 3.797 0 40 DHAB COc1cccc(NC(=O)COc2cccc3ccc(C)nc23)c1 5198581 DRRYXXLPHXIQMD-UHFFFAOYSA-N 322.364 3.569 0 40 DHAB CC1=CN2C(c3ccccc3)=NON(c3ccc(C)cn3)[C@@H]2C=C1 5553567 CPONYHNUQZXUNZ-GOSISDBHSA-N 318.380 3.605 0 40 DHAB C[C@@H](c1ccccc1)N(C(=O)N(C)C)[C@@H]1CCOC(C)(C)C1 6662145 AKINERRJXZFIDE-GOEBONIOSA-N 304.434 3.689 0 40 DHAB Cc1cc(C)cc(-n2ccnc(NCc3ccc(F)cc3)c2=O)c1 6914953 XDAOWJFNVHKCQO-UHFFFAOYSA-N 323.371 3.601 0 40 DHAB Cc1cccc(C)c1NC(=O)CSc1nc(C)c(C)c(C)n1 7253368 RMAPBTZQVAOSNN-UHFFFAOYSA-N 315.442 3.750 0 40 DHAB Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)c2ccccc2)c(C)c1 7309583 GAEWQWVCTVGQMK-MRXNPFEDSA-N 317.454 3.694 0 40 DHAB COc1ccccc1CC(=O)N[C@H](C)c1ccccc1Cl 7814279 HHDMOKBTRWZTAT-GFCCVEGCSA-N 303.789 3.769 0 40 DHAB O=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2ccccc12 8017902 DTKKKKHOCJAIRF-UHFFFAOYSA-N 306.152 3.974 0 40 DHAB CCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 8071541 KWDUYXZBKNRLDK-UHFFFAOYSA-N 308.175 3.735 0 40 DHAB CCCNc1nc(-c2cccc(N3CCCC3=O)c2)cs1 8295984 CSWCQFXPRKFERR-UHFFFAOYSA-N 301.415 3.759 0 40 DHAB Cc1cc(C)cc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11155081 OBSQQAGTDXGHPG-GOSISDBHSA-N 312.388 3.874 0 40 DHAB COc1ccc(OC)c(NC(=O)c2cccc3ncccc23)c1 12687371 OXZCGRFKZDJHHX-UHFFFAOYSA-N 308.337 3.504 0 40 DHAB Cc1ccc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1 12873430 PHCSZWRJXASEMJ-UHFFFAOYSA-N 319.408 3.728 0 40 DHAB COc1cc(NC(=O)c2ccc(C)cc2C)cc(OC)c1OC 12976351 ZUMOUMUVNBVWOB-UHFFFAOYSA-N 315.369 3.582 0 40 DHAB CC(C)n1ncc2cc(NC(=O)c3cc(F)cc(F)c3)cnc21 13000664 GRQDZZBGOJXBMJ-UHFFFAOYSA-N 316.311 3.543 0 40 DHAB CC(C)COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 13166658 XZKDHIADWOONFN-UHFFFAOYSA-N 313.353 3.672 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)O)ccc1Cl 13167646 IAJDCGYWHHRRBE-UHFFFAOYSA-N 324.163 3.873 0 40 DHAB Cc1ccccc1NCC(=O)Nc1ccccc1Br 15085342 DAQDGEVRKUQGOJ-UHFFFAOYSA-N 319.202 3.808 0 40 DHAB Cc1csc2nc(CNc3cccc4ccccc34)cc(=O)n12 15289315 WUMZFUHCFKWNOK-UHFFFAOYSA-N 321.405 3.830 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C)cc1C 15471484 KEVLGHYZAYIWCJ-OAHLLOKOSA-N 313.397 3.568 0 40 DHAB CC(C)Nc1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1 19450356 BWCFHXPCWBXEQC-UHFFFAOYSA-N 311.364 3.504 0 40 DHAB CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2F)cc1 19736552 DSTJRYXKSCOATN-UHFFFAOYSA-N 302.349 3.549 0 40 DHAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(Cl)c1 20138035 JGBPFQOFSWXZDD-UHFFFAOYSA-N 310.136 3.944 0 40 DHAB CCCCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 20141504 WZSVWNVCSFTJKR-UHFFFAOYSA-N 313.353 3.816 0 40 DHAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 22525261 GGVAJBZQIAFWDK-GJZGRUSLSA-N 313.397 3.648 0 40 DHAB Cc1ncc(-c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)o1 29952395 DZKGSZBSLRRZNI-UHFFFAOYSA-N 311.366 3.960 0 40 DHAB Cc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)n1 36391633 DNBKWSFLDKWQCO-UHFFFAOYSA-N 305.337 3.830 0 40 DHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1 38772519 MBKSAAYGZPUIFL-DYVFJYSZSA-N 301.361 3.861 0 40 DHAB Cc1ccccc1NCCC(=O)NCc1ccccc1Cl 40160530 OIYROFVXEKJXTH-UHFFFAOYSA-N 302.805 3.767 0 40 DHAB Nc1cc(C(F)(F)F)c(Cl)cc1I 40564517 UIAJGKPIEJXINZ-UHFFFAOYSA-N 321.467 3.546 0 40 DHAB Cc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 43134718 NYZMMNZPRDPJHV-INIZCTEOSA-N 309.413 3.643 0 40 DHAB Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n(C(C)(C)C)n1 45783727 NRAZGGRPGCIGEN-CABCVRRESA-N 315.392 3.828 0 40 DHAB Cc1cc(C)c(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c(C)c1 45951815 MMNODLYVTWRJBH-DLBZAZTESA-N 317.477 3.996 0 40 DHAB Cc1ncc(CN(C)C(=O)c2cc3ccccc3cc2O)s1 46773774 YOYZBJKCTXSIHF-UHFFFAOYSA-N 312.394 3.583 0 40 DHAB C[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccncc1 48231615 OTJJLAACAUJVJH-JTQLQIEISA-N 308.353 3.887 0 40 DHAB c1cncc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)c1 49169653 MVUZBINHQKDTEX-INIZCTEOSA-N 312.417 3.501 0 40 DHAB biogenic,in-vitro COc1cccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(C)cc2)c1 57010995 TVZOUAFEWGWMPV-MOPGFXCFSA-N 322.408 3.513 0 40 DHAB Cc1cc(C(=O)N2CCCN(C(C)(C)C)CC2)c(C)n1C(C)C 63726873 WXRIUMFHMBJOTO-UHFFFAOYSA-N 319.493 3.632 0 40 DHAB Brc1cnn(Cc2csc(C3CCCC3)n2)c1 63887540 XTYJCXJDACPKFJ-UHFFFAOYSA-N 312.236 3.808 0 40 DHAB CCOC(=O)c1cn(Cc2ccc(C)cc2)c2ccccc2c1=O 67341037 LJLRKEUBCQSIDV-UHFFFAOYSA-N 321.376 3.535 0 40 DHAB C[C@H](C(=O)N(C)c1ccccc1)N1CC[C@H](c2ccccc2)C1 69699222 WLMRZHOTYMHCHD-AEFFLSMTSA-N 308.425 3.527 0 40 DHAB O=C(Nc1ccccc1)Nc1ccccc1OCCn1ccnc1 69873221 NVBOUVUGASOZJM-UHFFFAOYSA-N 322.368 3.606 0 40 DHAB CC(C)=CC(=O)Nc1ccccc1NC(=O)Cc1cccs1 69927026 WOKBJILGBPKMHG-UHFFFAOYSA-N 314.410 3.834 0 40 DHAB Cn1ccc2c(NC(=O)c3cn(C)c4ccccc34)cccc21 70666235 SPXWVBXDUKSVPF-UHFFFAOYSA-N 303.365 3.922 0 40 DHAB biogenic Cc1nc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cs1 71884559 PCCJGIDLUWOGGR-ZIAGYGMSSA-N 306.818 3.525 0 40 DHAB O=C(Cc1ccon1)Nc1ccccc1N1CCc2ccccc21 75144389 RTRZQQYTXVFFPI-UHFFFAOYSA-N 319.364 3.550 0 40 DHAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(Cl)c1 76056526 VONAIJUBCQOQJP-DCGLDWPTSA-N 320.864 3.638 0 40 DHAB Cc1ccc(NCc2nc(C(C)C)no2)cc1Br 79157050 PKNUFIXTCDXHMS-UHFFFAOYSA-N 310.195 3.876 0 40 DHAB O=C(c1ccncc1)N1CCSc2ccc(C(F)(F)F)cc21 89800385 XCXUGAJBKDDEQQ-UHFFFAOYSA-N 324.327 3.853 0 40 DHAB Cc1ccc2ncnc(Oc3ccc(-n4cccn4)cc3)c2c1 92656094 RFNCQIFFVFKAHQ-UHFFFAOYSA-N 302.337 3.916 0 40 DHAB O=C(COc1ccccc1)c1cc(Br)ccc1F 94107904 OBIVIEWNPXJYLX-UHFFFAOYSA-N 309.134 3.850 0 40 DHAB CN(C(=O)C(C)(C)C)c1ccc(OCC2CCOCC2)cc1 95967125 XTVGTXZWCCLUKX-UHFFFAOYSA-N 305.418 3.501 0 40 DHAB COCCC1(CNC(=O)Nc2cccc([C@H](C)OC)c2)CCC1 96474147 VHNQBVKZVQGSNI-AWEZNQCLSA-N 320.433 3.722 0 40 DHAB Cc1ccc(C)c(OCCNC(=O)Cc2ccc(C)c(C)c2)c1 224015190 ZUDAYDXIOZPXOU-UHFFFAOYSA-N 311.425 3.658 0 40 DHAB Cc1cccc(O[C@H](C)C(=O)NCCSC2CCCC2)c1C 224527189 FGVBKIZHJADOFJ-OAHLLOKOSA-N 321.486 3.863 0 40 DHAB CO[C@@H](CNC(=O)c1ccsc1)c1cc2ccccc2o1 244983814 ISHXDQFGYPGXPS-HNNXBMFYSA-N 301.367 3.612 0 40 DHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C)o3)S2)cc1 408773791 XISNLGUTIPGGRI-MJSCBBHESA-N 314.410 3.750 0 40 DHAB CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1ccc(C2CCC2)cc1 529084360 BJIDWOKGWGKCCI-KSSFIOAISA-N 300.402 3.643 0 40 DHAB COc1cccc2cc(C(=O)Nc3ccc(C)cc3C)c(=O)oc12 105768 ZMYWLOFONVVJAR-UHFFFAOYSA-N 323.348 3.671 0 40 DHAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccnc1 127523 MXHJOVHMXFIBLR-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB NC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 473683 ACAANPJJYOEEHK-UHFFFAOYSA-N 324.167 3.736 0 40 DHAB O=C(O[C@H](C[n+]1ccccc1)c1ccccc1)c1ccccc1 1664741 IIKPBJBYHAJMJY-LJQANCHMSA-N 304.369 3.572 0 40 DHAB Cc1ccc(Cn2cc(SCC(N)=O)c3ccccc32)cc1 4060991 DFCMYVGSLLRZRV-UHFFFAOYSA-N 310.422 3.575 0 40 DHAB CCC(CC)c1nnc(NC(=O)Cc2ccc(F)cc2)s1 4460505 PBAVQJGUGXWOPN-UHFFFAOYSA-N 307.394 3.762 0 40 DHAB CCSc1cccc(C(=O)Nc2nnc(-c3ccco3)o2)c1 4585785 XJBGTJGTCQIRRO-UHFFFAOYSA-N 315.354 3.694 0 40 DHAB CCCCCn1c(CCNC(=O)C(C)C)nc2ccccc21 6752624 RTGNRPGDJMHJEZ-UHFFFAOYSA-N 301.434 3.541 0 40 DHAB CN(C)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 6831299 UUSUJRGHJODSHE-UHFFFAOYSA-N 306.312 3.606 0 40 DHAB CCCCCCOc1ccccc1/C=C1\SC(=O)NC1=O 7719316 CKPNGEWSIFFGFW-KAMYIIQDSA-N 305.399 3.970 0 40 DHAB CCC[C@H](C)NC(=S)Nc1cccc(Br)c1 8104804 LHOWZWHOMDAVGR-VIFPVBQESA-N 301.253 3.924 0 40 DHAB CCOc1ccc(C(=S)NCCc2ccc(OC)cc2)cc1 9188124 HHAYIHCVYPWTNN-UHFFFAOYSA-N 315.438 3.602 0 40 DHAB C[C@@H](NC(=O)Cc1cc(-c2ccc(F)cc2)on1)c1ccccc1 11693128 FBISKWOQYJSHFS-CYBMUJFWSA-N 324.355 3.901 0 40 DHAB Cc1ccccc1C(=O)Nc1nc(-c2cccs2)ns1 11914586 JZPSMIONBLNFLY-UHFFFAOYSA-N 301.396 3.827 0 40 DHAB O=C(NCC1(c2ccccc2)CCCC1)c1ccc2c(c1)OCO2 12101278 HWKHTUMIJBNFNC-UHFFFAOYSA-N 323.392 3.657 0 40 DHAB COc1cccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)c1 12566067 YEIDQFPJJVWXMV-UHFFFAOYSA-N 308.381 3.766 0 40 DHAB O=C(Nc1ccccc1N1CCCCC1)c1ccc2[nH]cnc2c1 12600500 RXFVRNVYKPKWLB-UHFFFAOYSA-N 320.396 3.806 0 40 DHAB C[C@H](Sc1ccccc1C(=O)O)C(=O)Nc1ccc(F)cc1 12759183 SRFNPRHSWNNIOL-JTQLQIEISA-N 319.357 3.643 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2ccccc21 13007869 DCKWQVFSLOVIME-SJKOYZFVSA-N 315.800 3.911 0 40 DHAB Cc1cccnc1NC(=O)c1cnc2c(Cl)cccc2c1O 13692281 YKRNZNLYWMSFQG-UHFFFAOYSA-N 313.744 3.550 0 40 DHAB Cc1nc2cc(NC(=O)c3ccc4ccccc4n3)ccc2o1 14180588 GCQJBICLBTUYRM-UHFFFAOYSA-N 303.321 3.937 0 40 DHAB Cc1cnc(C(=O)N(c2ccccc2)c2nc(C)cs2)cn1 14586840 ZRLIIZZTTMHZRN-UHFFFAOYSA-N 310.382 3.528 0 40 DHAB Cc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 15860010 QQUCCLBCZXNQNG-KRWDZBQOSA-N 312.413 3.545 0 40 DHAB Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4)c2ccccc2n1C 19325105 SIKIARAOHBVFIF-UHFFFAOYSA-N 309.457 3.533 0 40 DHAB CCCCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736616 FOGPPNAPXFXSJD-UHFFFAOYSA-N 302.349 3.839 0 40 DHAB C[C@H]1CCC[C@@H](N2CCN(CCCc3ccccc3)CC2)C1 19900099 KOXWBYMAFNJUMY-AZUAARDMSA-N 300.490 3.816 0 40 DHAB O=C(O)CCc1ccc(NC(=O)c2ccccc2Cl)cc1 20227014 WISLVKWHUVLGRI-UHFFFAOYSA-N 303.745 3.610 0 40 DHAB COc1cccc2c(NC(=O)/C=C/c3ccncc3)cc(C)nc12 20762278 YTSOCJJRJHTXML-VOTSOKGWSA-N 319.364 3.599 0 40 DHAB biogenic Cc1ccc(C(=O)CCC(=O)N2CCc3sccc3C2)s1 22285466 GLUAHFVJYBVFOR-UHFFFAOYSA-N 319.451 3.666 0 40 DHAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(C)c1 22863698 ZGFNVFBTICTMAG-UHFFFAOYSA-N 322.408 3.678 0 40 DHAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CC1 23053317 LSZVKBJMQDLJTJ-UHFFFAOYSA-N 321.829 3.693 0 40 DHAB CCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 23573142 YOVMUSJBHPSSFT-KRWDZBQOSA-N 322.408 3.835 0 40 DHAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccnc2)cc1 24392185 YUNXRTHXXDYYKU-GOSISDBHSA-N 310.397 3.848 0 40 DHAB O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)nc1 25997078 WTYWIDVUTHACEX-UHFFFAOYSA-N 306.715 3.586 0 40 DHAB CCc1ccccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29810598 ZWRMJKWVUYCIOD-LJQANCHMSA-N 308.425 3.807 0 40 DHAB O=C(Cn1ccc2ccccc21)Nc1ccc(-c2cc[nH]n2)cc1 38716970 IPJVCCDDTDJPLT-UHFFFAOYSA-N 316.364 3.670 0 40 DHAB Clc1cccc(OCCSc2nnc3n2CCCCC3)c1 40159042 KLQZUUVWXLLVKT-UHFFFAOYSA-N 323.849 3.829 0 40 DHAB COc1ccc(CNC(=O)Nc2ccccc2Cl)c(OC)c1 44845517 OTVSNJNZWVTZND-UHFFFAOYSA-N 320.776 3.679 0 40 DHAB COCc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1 48252991 ZGQGTWWTLHLTIR-UHFFFAOYSA-N 318.804 3.805 0 40 DHAB CCc1nc(C)c(C(=O)Nc2ccnn2C2CCCC2)s1 58304528 DRDJRPINCIWWQQ-UHFFFAOYSA-N 304.419 3.578 0 40 DHAB CCOc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1 58393141 VZRGHYCRDINAIA-UHFFFAOYSA-N 311.385 3.677 0 40 DHAB CC(C)(C)c1ncc(C(=O)NCCc2cc(F)cc(F)c2)s1 60309672 BOUWCNIIEUAUNS-UHFFFAOYSA-N 324.396 3.691 0 40 DHAB c1cncc([C@@H]2N[C@H]3c4c(ccc5ccccc45)OC[C@@H]3CO2)c1 63110708 CVTVSDQCGJDMLX-CDHQVMDDSA-N 318.376 3.603 0 40 DHAB O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)C1CC1 65548653 IWHSIVNRLGBPLS-UHFFFAOYSA-N 310.325 3.760 0 40 DHAB Fc1ccc([C@H]2NCCc3nc[nH]c32)cc1Oc1ccccc1 66088630 SESTWVZDZQMAQW-QGZVFWFLSA-N 309.344 3.576 0 40 DHAB Cc1ccccc1NC1CCN(C(=O)CCc2ccco2)CC1 69509241 KKNNEVCUFIFHCO-UHFFFAOYSA-N 312.413 3.624 0 40 DHAB O=C(Nc1cccc(Cl)c1F)c1cc(=O)c2ccccc2o1 70685134 XLBWDALIDJCEHE-UHFFFAOYSA-N 317.703 3.838 0 40 DHAB COCc1ccccc1NC(=O)Nc1cc(C(C)(C)C)on1 72282545 AUEFJUFXSWOXQC-UHFFFAOYSA-N 303.362 3.763 0 40 DHAB Cc1cnc(CN(C)[C@@H](c2cccc(F)c2)c2ccccn2)o1 72606849 DRXHULBRZKRBGN-SFHVURJKSA-N 311.360 3.739 0 40 DHAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1ccncc1 93168705 ZSQBSVOSSOXZRH-UHFFFAOYSA-N 316.360 3.936 0 40 DHAB Fc1cc(CNc2cccc(-c3nc[nH]n3)c2)c2ncccc2c1 95437441 OBPBMVDDNSQILD-UHFFFAOYSA-N 319.343 3.771 0 40 DHAB C[C@H](CC1CC1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 95962413 HNWHHWQPFVWOJM-IUODEOHRSA-N 306.837 3.614 0 40 DHAB COc1cccc2cc([C@H](C)NC[C@@H](O)c3ccsc3)oc12 95987937 ZQAYESOMJXWIAK-SMDDNHRTSA-N 317.410 3.887 0 40 DHAB CC[C@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 96073336 MAEKYJWTIMGVQV-QRWLVFNGSA-N 324.424 3.656 0 40 DHAB O=C(NCC[C@H](O)c1cc2ccccc2o1)Nc1cccs1 96097308 WQVNRWOXTJXUSL-LBPRGKRZSA-N 316.382 3.740 0 40 DHAB O=C(N[C@H](c1nccs1)C1CC1)c1cc2c(s1)CCC2 96425543 JMUVFELGOKSYBA-ZDUSSCGKSA-N 304.440 3.574 0 40 DHAB CCCc1sc(C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1CC 97032363 LPOCGLOCFSVLHK-VXGBXAGGSA-N 309.475 3.949 0 40 DHAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(Br)c1 100991280 KAPLUGSDFTUCTG-WZRBSPASSA-N 308.219 3.615 0 40 DHAB Nc1cccc(CSc2ncc(-c3ccc(F)cc3)o2)n1 191555957 PGLLLENOVKKYRH-UHFFFAOYSA-N 301.346 3.750 0 40 DHAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1ccccc1 219574739 LNBVTJKBISHIEJ-QGZVFWFLSA-N 315.388 3.732 0 40 DHAB Cc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222556582 VHXRIUUWGGOJDX-JQFCIGGWSA-N 309.438 3.979 0 40 DHAB O=C([C@@H]1CC=CCC1)N1CC[C@H](Oc2cccc3cccnc23)C1 244955871 GCUVLOSREFPWGY-SJORKVTESA-N 322.408 3.571 0 40 DHAB COc1ccc2[nH]cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2c1 248243600 IJRAKYPXVXMMGT-UKTARXLSSA-N 312.413 3.731 0 40 DHAB Cc1cnc(NC(=O)CSc2cccc3cccnc23)s1 409008525 ZOUDRCRXXAEIOW-UHFFFAOYSA-N 315.423 3.731 0 40 DHAB CO[C@@H]1C[C@@H]2C[C@H](Nc3ccc(NC(C)=O)c(Cl)c3)C[C@@H]2C1 521395473 MKPIRFBXDZSDRA-CUFDPUGPSA-N 322.836 3.914 0 40 DHAB CC(C)c1nc(-c2cccc(NC(=O)[C@H](C)n3cccc3)c2)n[nH]1 575443002 BAOYSCVIBKXIQH-ZDUSSCGKSA-N 323.400 3.596 0 40 DHAB COc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)cn1 585114401 RZLROMLUIUNYGP-UHFFFAOYSA-N 316.788 3.727 0 40 DHAB Cc1cccc(Oc2ccc(I)cn2)c1 685937884 YVTPYCLUUHJNDG-UHFFFAOYSA-N 311.122 3.787 0 40 DHAB CO[C@H](CNc1nccc(C(F)(F)F)n1)c1ccc(C)s1 1776001677 GDLQYUKEIGYRFL-SECBINFHSA-N 317.336 3.665 0 40 DHAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 246057 BBCVYLYMBIAWOE-UHFFFAOYSA-N 323.845 3.939 0 40 DHAB COc1cccc(OC)c1C(=O)Nc1ccccc1-n1cccc1 363251 CTQJIVOLZBLEEC-UHFFFAOYSA-N 322.364 3.747 0 40 DHAB O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2 387904 LQKZLYZBKGTRSC-UHFFFAOYSA-N 317.772 3.683 0 40 DHAB CNC(=O)OCCN1c2ccccc2Sc2ccccc21 1636911 XOFQVAXBLDDAKA-UHFFFAOYSA-N 300.383 3.645 0 40 DHAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(F)cc1F 2514588 VICGPFJZPKCRNA-UHFFFAOYSA-N 301.336 3.792 0 40 DHAB Cc1ccc(N(C(F)F)S(=O)(=O)c2cccs2)c(C)c1 3223832 XOGIQTAMPWITFG-UHFFFAOYSA-N 317.382 3.783 0 40 DHAB O=C(Cc1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138239 VIQQGTKJBOBILS-UHFFFAOYSA-N 318.420 3.906 0 40 DHAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cccs1 4305432 UEZZHKZUEBFSLL-UHFFFAOYSA-N 308.211 3.856 0 40 DHAB Cc1ccc2[nH]cc(CCNC(=O)CSc3ccccc3)c2c1 4783619 XDFQCALUSUQMBD-UHFFFAOYSA-N 324.449 3.927 0 40 DHAB CC(=O)c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1 4999067 VVBDPGSYWCKNJL-UHFFFAOYSA-N 306.337 3.976 0 40 DHAB Cc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 7071427 SQKAMTRFQQXAOE-UHFFFAOYSA-N 313.382 3.678 0 40 DHAB Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CCCO3)n2)c1 7723562 BHLPFLYEXBMBMM-CQSZACIVSA-N 302.399 3.544 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCSc2ccccc21 7814059 JYDWSBDJJDYAEP-BBRMVZONSA-N 313.422 3.807 0 40 DHAB COc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cn1 8231728 UEZJKRQNUBYARA-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB c1ccc(OCCSc2nc(-c3cccs3)n[nH]2)cc1 8735003 BQZRQIFXNYEHJF-UHFFFAOYSA-N 303.412 3.704 0 40 DHAB O=C(NCCc1ccc(Br)s1)c1ccsc1 10501939 VTTCQKAIMAKNPF-UHFFFAOYSA-N 316.245 3.545 0 40 DHAB O=C(OCc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2 10716849 DUAVQVIZROABSF-UHFFFAOYSA-N 308.692 3.565 0 40 DHAB COc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 11760593 GCJKKORWQJVICU-CYBMUJFWSA-N 316.376 3.737 0 40 DHAB Cc1noc(-c2cnc(N3CCCC3)nc2-c2ccco2)c1C 12186819 HXXNVJHOZZVWLO-UHFFFAOYSA-N 310.357 3.609 0 40 DHAB Cc1cc(C)c2nc(NC(=O)CCc3cccnc3)sc2c1 12534571 BFRJEWZEDVUNDH-UHFFFAOYSA-N 311.410 3.879 0 40 DHAB CCCCC(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 12540947 DQPFJVZMZGWBSY-CQSZACIVSA-N 305.447 3.664 0 40 DHAB Cc1ccc(C)c(NC(=O)CCCNC(=O)c2cccs2)c1 12912691 VMZQQIQROMHJAI-UHFFFAOYSA-N 316.426 3.514 0 40 DHAB CCOc1cc2c(cc1NC(=O)[C@@H]1CC=CCC1)O[C@@H](C)C2 13012273 MTGUZEXKZWUBGX-QWHCGFSZSA-N 301.386 3.704 0 40 DHAB CC(C)(C)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1 14737549 WWAXQKIDOWUEMV-UHFFFAOYSA-N 307.397 3.973 0 40 DHAB CN(CCCNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 17826823 LNMCBKRHMGLQQZ-UHFFFAOYSA-N 316.832 3.525 0 40 DHAB O=C1Oc2nc3ccccc3cc2CN1Cc1ccc(F)cc1 19376298 FTSASWACWTZVSQ-UHFFFAOYSA-N 308.312 3.889 0 40 DHAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccccn2)cc1Cl 25405831 YWZUEMPXOXITRW-ZDUSSCGKSA-N 302.805 3.853 0 40 DHAB NC(=O)[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1 26160698 VYCBZSUYCBEZIO-HXUWFJFHSA-N 316.404 3.592 0 40 DHAB O=C(Nc1nc2ccccc2s1)c1ccn(C2CCCC2)n1 28223059 NRYMDYHUWSBSBG-UHFFFAOYSA-N 312.398 3.860 0 40 DHAB C[C@H](NC(=O)c1ccccc1Nc1ccccc1)[C@@H]1CCCO1 29958767 WNIIUEWFTXJANM-KSSFIOAISA-N 310.397 3.728 0 40 DHAB C[C@H](NC(=O)CCC1CCCCC1)c1ccc2c(c1)OCO2 32609810 SEPQUETXERVFHJ-ZDUSSCGKSA-N 303.402 3.953 0 40 DHAB Cc1cc(C)c(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)c(C)c1 33145447 DJWDJWFBWDFBDQ-KRWDZBQOSA-N 308.381 3.744 0 40 DHAB CCN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 35042102 OVLFZFDXCCPZPF-JXMROGBWSA-N 312.188 3.505 0 40 DHAB CCc1ccc([C@H](C)Nc2ccccc2S(C)(=O)=O)cc1 35046749 XOQOSPQFVADGIS-ZDUSSCGKSA-N 303.427 3.826 0 40 DHAB C[C@H]1C[C@H](OC[C@H](O)CN(C)C2CCCCC2)CC(C)(C)C1 37530289 SVDPJYRFEFQLLO-JQHSSLGASA-N 311.510 3.843 0 40 DHAB Cc1cccc(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)c1 40107399 UEJQPRWKSXMBJI-UHFFFAOYSA-N 319.408 3.979 0 40 DHAB O=C(C[C@@H]1CCCO1)N1CCC[C@@H]1c1nc2ccccc2s1 47072117 FJQOJYVWDMBMRT-GXTWGEPZSA-N 316.426 3.529 0 40 DHAB CCC(=O)Nc1ccc(NC(=O)Cc2ccc(C)s2)cc1 57216168 YJYMXRKXTCQCOG-UHFFFAOYSA-N 302.399 3.586 0 40 DHAB O=C1c2ccccc2N[C@@H](c2csc(C3CC3)n2)N1C1CC1 63494849 MJKHUKQUGKPDGM-OAHLLOKOSA-N 311.410 3.749 0 40 DHAB CCn1nc(C)c(C(=O)Nc2ccc3c(ccn3CC)c2)c1C 69559469 RORMOFFFRBMIOZ-UHFFFAOYSA-N 310.401 3.747 0 40 DHAB CCN(CC)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72212843 JUBGUQIYUMYRKS-SFHVURJKSA-N 323.440 3.905 0 40 DHAB Cc1csc([C@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)n1 72273756 XZLYYATYSRLSGI-GFCCVEGCSA-N 309.822 3.800 0 40 DHAB C[C@@H](OC1CCCC1)C(=O)N1CCCC[C@@H]1c1nccs1 72285926 NOBMMSFYAUIWLE-TZMCWYRMSA-N 308.447 3.544 0 40 DHAB Cc1ncccc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 72913556 SSRPUYHLOCLKCL-UHFFFAOYSA-N 318.442 3.733 0 40 DHAB CCCc1nc(C)c(C(=O)N[C@H]2CCc3c(O)cccc32)s1 76688699 AFDYNNMNBVSOSW-ZDUSSCGKSA-N 316.426 3.527 0 40 DHAB C[C@]1(CCc2ccccc2)CCN(c2cnnc(O)c2Cl)C1 79047928 TVZFNPGJBPHNKE-KRWDZBQOSA-N 317.820 3.685 0 40 DHAB Cn1ccnc1CN[C@@H]1CCCOc2c1ccc1ccccc21 84056123 URAPHQASAMAKTK-QGZVFWFLSA-N 307.397 3.577 0 40 DHAB CNC(=O)Nc1ccc(NC(=O)C/C=C/c2ccc(C)cc2)cc1 84739520 RFWHVRULCMFUHD-ONEGZZNKSA-N 323.396 3.788 0 40 DHAB Fc1cnc(Cl)nc1Oc1ccccc1Br 85754713 DQILQJSWFYRECZ-UHFFFAOYSA-N 303.518 3.824 0 40 DHAB CSCCc1ccc(NCc2ccc([S@](C)=O)cc2)cc1 89493745 ZOHULBIWYGMJDE-OAQYLSRUSA-N 319.495 3.942 0 40 DHAB Cc1ccsc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 89701994 SUQYMZGABWQVJA-GFCCVEGCSA-N 317.435 3.735 0 40 DHAB O=C(Nc1ccc(Oc2cccnc2)nc1)N1C[C@H]2CCC[C@H]2C1 89883157 BPAUUOYNWFBUQE-OKILXGFUSA-N 324.384 3.533 0 40 DHAB Cc1nc(CSCc2nnc(-c3ccccc3)o2)cs1 95403753 JNQFZRVLEUVIFP-UHFFFAOYSA-N 303.412 3.935 0 40 DHAB OCc1cccc(CNCc2ccc(F)c(C(F)(F)F)c2)c1 95440068 JAZOZLBWSZTAKW-UHFFFAOYSA-N 313.294 3.627 0 40 DHAB COC1CCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CC1 96104470 FDGAXNQHLLJMCW-OAHLLOKOSA-N 314.429 3.597 0 40 DHAB Cc1cc(NC(=O)Nc2ccccc2)cc2c1N(C)C(=O)C2(C)C 96182145 ZEGRNUYUDVWUCO-UHFFFAOYSA-N 323.396 3.893 0 40 DHAB C[C@H](NC(=O)NC(C1CC1)C1CC1)c1csc(C2CC2)n1 96405829 COCDMFZZXAAOJR-VIFPVBQESA-N 305.447 3.569 0 40 DHAB CC[C@H]1CN(C(=O)Nc2cccc([C@H](C)OC)c2)CCS1 96434540 VRTUCOLZILKZPX-WFASDCNBSA-N 308.447 3.753 0 40 DHAB C[C@@H](NC[C@]1(CCO)CCOC1)c1cc2cc(Cl)ccc2o1 96493446 GVEBJMUZFXQCTI-PXAZEXFGSA-N 323.820 3.526 0 40 DHAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(O)c1 96759107 IWUZQLLDUPQHCK-MDWZMJQESA-N 324.405 3.725 0 40 DHAB Cc1ccc(-c2ccc(C(=O)N3CC[C@@]4(CCOC4)C3)s2)o1 97081387 FHPQWASEHDUBEX-QGZVFWFLSA-N 317.410 3.569 0 40 DHAB Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3ncnc3N2)cc1 100834879 MDIULAIQZRCZJX-SFHVURJKSA-N 302.381 3.951 0 40 DHAB COc1ccccc1CC1CCN(C(=O)C2[C@@H]3CCC[C@@H]23)CC1 101457764 RYSTUDDKBOPJPP-IAGOWNOFSA-N 313.441 3.522 0 40 DHAB CCCCOCc1cc(C(=O)N(CC)CC)ccc1OCC 224729494 PHHLKEZKJDFBRK-UHFFFAOYSA-N 307.434 3.884 0 40 DHAB C[C@H](CNC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 225134241 ZLRNAPJBLUCHHZ-MRXNPFEDSA-N 323.436 3.864 0 40 DHAB O=C(Cc1ccccc1Cl)NCCSCc1ccccc1 225434852 KRLCBAAMGWZSIW-UHFFFAOYSA-N 319.857 3.932 0 40 DHAB CC(=O)N(CCc1nc(-c2ccncc2Cl)cs1)C(C)C 225456907 NRLQJHASWZHWSZ-UHFFFAOYSA-N 323.849 3.658 0 40 DHAB CCOC(=O)c1cccc(NC(=O)Nc2ccccc2OC)c1 225767438 SCAFLLWLSAEECX-UHFFFAOYSA-N 314.341 3.516 0 40 DHAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)nc1 225895737 XMGCRCZWJTXLQH-UHFFFAOYSA-N 322.449 3.896 0 40 DHAB Cc1cn2c([C@H]3CCCN3C(=O)c3cccs3)cccc2n1 257215390 CPXQTWHCWJMCLS-CYBMUJFWSA-N 311.410 3.682 0 40 DHAB FC(F)(F)c1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 257253358 JYOAZPMFYGREIF-OAHLLOKOSA-N 307.319 3.833 0 40 DHAB COc1cccc(C(=O)N2CCC[C@H]2CCc2ccnc(C)c2)c1 257334083 YELBHRIJBYVJKW-SFHVURJKSA-N 324.424 3.636 0 40 DHAB CCOc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OC 409058405 OKPQUHYOEPAWNL-ZROIWOOFSA-N 321.398 3.539 0 40 DHAB CC1(c2nc(-c3ccccc3NC(=O)C3CC3)no2)C[C@H]2C[C@@H]2C1 559934557 BIYBRIJWMSQTCY-CHWSQXEVSA-N 323.396 3.773 0 40 DHAB C[C@H]1C[C@@H]1c1noc(-c2c[nH]nc2-c2cccc(Cl)c2)n1 571297017 FUFBQEHASAZLEA-KWQFWETISA-N 300.749 3.904 0 40 DHAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(C)=O 41854 XRAUDTBCGZQPSF-UHFFFAOYSA-N 307.346 3.689 0 40 DHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 183202 LBJKBXOOSSWJNK-UWVGGRQHSA-N 322.257 3.660 0 40 DHAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1 362428 OAFGWEXHSIXWRR-NSHDSACASA-N 320.186 3.855 0 40 DHAB CCOC(=O)c1c(NC(=O)OC)sc2c1CC[C@H](CC)C2 483274 UUYVKDHQJWYSSR-VIFPVBQESA-N 311.403 3.618 0 40 DHAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccccc3F)c2C)c1 2698843 YINQTSKBLIVUOO-UHFFFAOYSA-N 324.359 3.584 0 40 DHAB Cc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCC3)cc1 2966457 CGUMXROHAWDPNA-NRFANRHFSA-N 321.444 3.564 0 40 DHAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(O)cc1 3284187 FIPLQUYFEHPFMF-UHFFFAOYSA-N 311.362 3.873 0 40 DHAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1ccccc1Cl 3322951 KSAVXBFIKKJKEY-UHFFFAOYSA-N 320.820 3.875 0 40 DHAB COc1ccc(NC(=O)CCc2ccccc2OC)cc1Cl 3407468 UOKIRIUUQOZPMF-UHFFFAOYSA-N 319.788 3.929 0 40 DHAB Cc1ccc2c(COC(=O)c3ccc(C)s3)cc(=O)oc2c1 3511006 VBLBAXJCKCEZSI-UHFFFAOYSA-N 314.362 3.828 0 40 DHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 3607384 HDAJKEXCUOWHEA-GFCCVEGCSA-N 317.772 3.949 0 40 DHAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 5119021 VNHXNFVMCUUUDV-JTQLQIEISA-N 322.767 3.927 0 40 DHAB CCCCCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 5608070 UHMVMKCXWBQANK-UHFFFAOYSA-N 308.853 3.877 0 40 DHAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 7056164 QQALSWRHQHBQII-UHFFFAOYSA-N 311.353 3.889 0 40 DHAB CCc1ccccc1NC(=O)CN1CCCc2cc(C)ccc21 7494311 UFYSHUKHGIDBJH-UHFFFAOYSA-N 308.425 3.949 0 40 DHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([C@@H](C)O)c1 8382813 FKJFGXYWMKEKJF-VXGBXAGGSA-N 319.788 3.799 0 40 DHAB CC(=O)Nc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 9581440 ZSKPDDXADNENFK-UHFFFAOYSA-N 308.381 3.776 0 40 DHAB CC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2c2ccccc2)cc1 9957382 KOPSOOHFMPKVBQ-IBGZPJMESA-N 322.408 3.551 0 40 DHAB CNCc1nc2ccccc2n1CCCCOc1ccc(C)cc1 12461742 FMXDDVOVQJJMDE-UHFFFAOYSA-N 323.440 3.923 0 40 DHAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)c(F)c1 12606960 AQIQUBDOGOJWAK-NSHDSACASA-N 316.351 3.893 0 40 DHAB O=C(O)Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 13438832 AYJLCIPTODDMRD-UHFFFAOYSA-N 323.392 3.764 0 40 DHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccccc1Cl 15472232 ISXSBBREACJRDJ-GFCCVEGCSA-N 319.788 3.605 0 40 DHAB C[C@@H](NC(=O)Cc1cccs1)c1cccc(Br)c1 22250555 DSYWHLIAZVYXDJ-SNVBAGLBSA-N 324.243 3.931 0 40 DHAB CC(C)n1nccc1NC(=O)c1csc(-c2cccs2)n1 22290400 FIWHZPLMFMHZIS-UHFFFAOYSA-N 318.427 3.901 0 40 DHAB COCc1ccccc1CNC(=O)c1ccc(F)cc1Cl 25304447 VPKBEHPLLYUYNO-UHFFFAOYSA-N 307.752 3.556 0 40 DHAB Cc1ccc(NC(C)(C)c2nnnn2-c2ccccc2C)cc1 35622730 FUIPVGPVLVEDGS-UHFFFAOYSA-N 307.401 3.626 0 40 DHAB CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 41123662 VWJJONLBRBCKMS-DGCLKSJQSA-N 317.389 3.504 0 40 DHAB O=C(Nc1ccncc1)c1ccccc1SC[C@H]1CCCO1 42034240 HCSZGCCANFQNMH-CQSZACIVSA-N 314.410 3.605 0 40 DHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N2CCCC2=O)cc1 43574189 GCYUXAAJMVQGKN-BBRMVZONSA-N 315.417 3.514 0 40 DHAB O=C(CCC1CCCCC1)NCc1ccc(C2OCCO2)cc1 48260344 UTSJHDMCDCSVLH-UHFFFAOYSA-N 317.429 3.709 0 40 DHAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccccn2)cc1 48374452 LEQYMXRUSUTULJ-OAHLLOKOSA-N 312.413 3.620 0 40 DHAB CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2Cl)CC1 52909023 JTBAOIKJWASPMA-UHFFFAOYSA-N 324.852 3.829 0 40 DHAB CC(C)(C)NC(=S)Nc1ccc(Br)cc1F 54922426 WIYZLEBMXFSDRI-UHFFFAOYSA-N 305.216 3.673 0 40 DHAB COc1cc([C@H]2NC(=O)c3cccc(C)c3N2)ccc1SC 58245596 AKKGUMVPRSEKGZ-MRXNPFEDSA-N 314.410 3.580 0 40 DHAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@@H]1c1ccco1 67022686 ZAGYOMZDWBISDL-WDEREUQCSA-N 311.366 3.540 0 40 DHAB CNc1cc(C)c([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72219076 SCZIQFVOIDVIMP-KRWDZBQOSA-N 309.413 3.799 0 40 DHAB CC(C)c1ccccc1NC(=O)CCNC(=O)OC(C)(C)C 78993739 SNYDSJYAEHJURF-UHFFFAOYSA-N 306.406 3.663 0 40 DHAB O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1CCCCCC1 89774480 NUJLPWUEQGAPRN-UHFFFAOYSA-N 311.385 3.630 0 40 DHAB CCC1CCC(Nc2cccc(CS(C)(=O)=O)c2C)CC1 92135440 KBCCERNAAPPGOC-UHFFFAOYSA-N 309.475 3.920 0 40 DHAB CCCn1nc(C)c(CN2CCC[C@H]2c2cccc(C)n2)c1C 93444955 VOMGCURWBJJXLE-IBGZPJMESA-N 312.461 3.950 0 40 DHAB CC(C)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C 95642738 XFKIFDHXCLAUQA-KRWDZBQOSA-N 318.461 3.764 0 40 DHAB C[C@@H](NCc1nc(-c2ccco2)no1)c1c(F)cccc1Cl 95985953 REJDGRZXNIBQLT-SECBINFHSA-N 321.739 3.973 0 40 DHAB CCOC[C@H](C)Nc1ccc(NC(=O)N2CCCCCC2)cc1 95991594 RAIXSVDIVSUOHC-HNNXBMFYSA-N 319.449 3.931 0 40 DHAB O=C1c2cccc3cccc(c23)N1CCCOCC(F)(F)F 96419515 VPDCCGIFSXSXDE-UHFFFAOYSA-N 309.287 3.769 0 40 DHAB CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H]1CCCOC1 96449484 XNXUMCHABPOYHP-ZDUSSCGKSA-N 311.372 3.520 0 40 DHAB C[C@@H](OCCCN[C@@H]1CCCc2c1cnn2C)c1ccccc1 96476440 QHTXLTLCMSNBFM-CRAIPNDOSA-N 313.445 3.555 0 40 DHAB O=C1CC(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 97032159 KPRGAPWAMNCUDV-QGZVFWFLSA-N 313.784 3.525 0 40 DHAB Cc1cccc([C@@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)c1 102567664 KEZDCALFHKGLTP-KRWDZBQOSA-N 306.344 3.782 0 40 DHAB C[C@H](NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(OC(F)F)c1 102792700 CZNYGZVUIOTWQF-MDHDOXDCSA-N 309.356 3.901 0 40 DHAB C[C@@H](NC(=O)CN1CCCC[C@H]1C)c1ccc2c(c1)CCCC2 105934253 GJZFCXFLSIUPBM-HZPDHXFCSA-N 314.473 3.617 0 40 DHAB O=c1[nH]c2c(s1)[C@H]1c3ccccc3O[C@@H]3CCC[C@@H](S2)[C@@H]31 170612857 RPODNVZRIFIAQZ-FVCCEPFGSA-N 317.435 3.604 0 40 DHAB Cc1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)c(C)n1 194828524 XSFZBZDLHBGBSS-UHFFFAOYSA-N 301.390 3.555 0 40 DHAB Cc1cc(N)c(NC(=O)C(C)C)cc1N1C[C@H](C)C[C@@H](C)C1 216865400 MJLXAJHXTJAJPX-CHWSQXEVSA-N 303.450 3.654 0 40 DHAB CC(C)Oc1cccc(NC(=O)COc2ccc(F)cc2)c1 222781450 QZYUGEXKTYQBLB-UHFFFAOYSA-N 303.333 3.630 0 40 DHAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223261770 QIQNKNDOHQFXPP-MRXNPFEDSA-N 323.436 3.958 0 40 DHAB CC[C@@H](NC(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 225757744 UYXSHDODTAWDAF-OAHLLOKOSA-N 320.433 3.787 0 40 DHAB CCCCOc1ncc(NC(=O)[C@](C)(OCC)C2CC2)cc1C 225902570 SXKFLIXQVIQZOB-GOSISDBHSA-N 320.433 3.713 0 40 DHAB CN(C)c1cccc(CC[C@@H]2CCCCN2Cc2ccccn2)n1 257214189 CKYNWFZOXLBBJJ-IBGZPJMESA-N 324.472 3.530 0 40 DHAB O=C(N=S(=O)(c1ccccc1)c1ccccc1)[C@@H]1CC12CC2 1535425146 CTEYPSKJSFZKSG-INIZCTEOSA-N 311.406 3.899 0 40 DHAB Fc1cc(F)cc(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1888853298 VAEXUEPPXPVELD-HOTGVXAUSA-N 303.356 3.529 0 40 DHAB Cc1cnc(C(=O)Nc2ccc3sc(C)nc3c2)c(F)c1 1889197922 JMLVJCWGGAOCKU-UHFFFAOYSA-N 301.346 3.700 0 40 DHAB CC(C)N1CCC[C@@]2(CC1)CN(c1ccc(Cl)cc1)C(=O)O2 2037838348 FIOGXSKQHAEVKT-QGZVFWFLSA-N 322.836 3.930 0 40 DHAB COc1cccc(-c2nnc(-c3cc4ccccc4oc3=O)o2)c1 244835 MLTISWIEBCPSMS-UHFFFAOYSA-N 320.304 3.519 0 40 DHAB Cc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1 258679 NPBUPZJSBSHCOQ-UHFFFAOYSA-N 317.435 3.621 0 40 DHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccccc1Cl 499940 ODMKTHQYHUZOSC-HNNXBMFYSA-N 319.744 3.638 0 40 DHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(F)c(F)c1)CC2=O 1432756 DBJBTEZSUFMLON-IAGOWNOFSA-N 307.340 3.689 0 40 DHAB O=C(CCC(=O)c1cccs1)Nc1ccc(F)c(F)c1F 3262476 BNISIGCXVQFRJB-UHFFFAOYSA-N 313.300 3.767 0 40 DHAB Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C)c1 3401235 KAQPNSKAMLYJAR-HNNXBMFYSA-N 311.381 3.796 0 40 DHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1F 3507097 DKDXDSUUSCIITH-UHFFFAOYSA-N 321.735 3.583 0 40 DHAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc2c(c1)CCC2 3547114 LCYLURKABRRJCV-UHFFFAOYSA-N 319.763 3.985 0 40 DHAB Cc1sc2ncnc(OCC(=O)c3ccc(F)cc3)c2c1C 3578198 NNYPNPFDJWFPAI-UHFFFAOYSA-N 316.357 3.709 0 40 DHAB c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCO4)C2 4118942 SYSWBWBAHACCDD-UHFFFAOYSA-N 310.378 3.588 0 40 DHAB COc1ccc(C2=Nc3ccccc3S[C@H](C(=O)O)C2)cc1 4137238 ZIZZXZLKHIZAPS-INIZCTEOSA-N 313.378 3.765 0 40 DHAB CO[C@](F)(C(=O)Nc1c(Cl)cccc1Cl)C(F)(F)F 4141916 RNQBUMQKMDGXMX-SECBINFHSA-N 320.069 3.806 0 40 DHAB Cc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccccc1 4645883 GUFOBEIOAZAOKG-UHFFFAOYSA-N 307.401 3.626 0 40 DHAB CCCn1c(C(=O)OC)cc2c1ccn2-c1ccc(F)cc1 4931398 DWGFNMRHMGURGK-UHFFFAOYSA-N 300.333 3.768 0 40 DHAB CCCCC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136317 SIEJTZJQLXCZMF-UHFFFAOYSA-N 302.418 3.751 0 40 DHAB O=c1cc(C(F)(F)F)nc(SCc2ccc(Cl)cc2)[nH]1 5155167 OELNOWIJRWYWBB-UHFFFAOYSA-N 320.723 3.734 0 40 DHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1ccccc1C 5326734 GHDODVSZZSGZHF-UHFFFAOYSA-N 317.410 3.989 0 40 DHAB Cc1cc2cc(CNC(=O)CCc3ccccc3)ccc2n1C 6415113 ZFDZJMZFESLRRL-UHFFFAOYSA-N 306.409 3.736 0 40 DHAB CCOc1ccccc1-c1nc(O)c2c(n1)Oc1ccccc1C2 6748528 ZIKJKQLRAQNYHN-UHFFFAOYSA-N 320.348 3.944 0 40 DHAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Cl)cc1 7383968 RVHCPTNUICAMBV-LLVKDONJSA-N 304.777 3.788 0 40 DHAB CCCCc1ccc(NC(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 7522423 GPFPKEWXPMCBCY-KBPBESRZSA-N 306.475 3.835 0 40 DHAB CCc1cccc(C)c1NC(=O)c1cc(=O)c2ccccc2o1 7653503 NGRIOSGZSJDPOP-UHFFFAOYSA-N 307.349 3.916 0 40 DHAB CCc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 8076077 XITWPHCDHRHTOL-UHFFFAOYSA-N 305.381 3.746 0 40 DHAB Cc1ccccc1-c1nnc2sc(-c3ccc(F)cc3)nn12 8392737 AAWJVNMZBBTYOO-UHFFFAOYSA-N 310.357 3.967 0 40 DHAB C[C@@H](Sc1ncccc1Cl)C(=O)NCc1ccc(F)cc1 8704419 QRWIFADTEQFNRA-SNVBAGLBSA-N 324.808 3.671 0 40 DHAB CN(C)c1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1 9338815 LENKDAAGLYPNFL-UHFFFAOYSA-N 302.805 3.977 0 40 DHAB CCC[C@@H](C)NC(=O)Cc1csc(-c2ccc(F)cc2)n1 9645550 NHOUSVUWBZAOEU-LLVKDONJSA-N 306.406 3.797 0 40 DHAB O=C(c1cccs1)N1CCC(c2nc3ccccc3o2)CC1 11914519 FKUMIVRWKPCSGJ-UHFFFAOYSA-N 312.394 3.909 0 40 DHAB CC[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc(F)cc1 12147321 CCCJMUMHXVPJGK-HNNXBMFYSA-N 315.392 3.699 0 40 DHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(C(C)=O)c1 13994715 DPKXLKYZLCFERZ-QGZVFWFLSA-N 311.381 3.994 0 40 DHAB Clc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)s1 14119241 FFZKYXAWWOKEIG-UHFFFAOYSA-N 306.730 3.847 0 40 DHAB Cc1cccc(N[C@H](C)C(=O)Nc2ccnn2C(C)C)c1C 23416033 OUUNVOIDXJQECP-CQSZACIVSA-N 300.406 3.520 0 40 DHAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1 24770735 QNDHNVGHCDYDLB-UHFFFAOYSA-N 314.772 3.941 0 40 DHAB CN(CCOc1ccc(F)cc1)C(=O)c1cccc2ncccc12 25458472 QDXLODITYJTYTN-UHFFFAOYSA-N 324.355 3.525 0 40 DHAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)c1ccccc1 31788037 NBYAJIIHQYOVRS-VIFPVBQESA-N 315.423 3.637 0 40 DHAB CCC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 35280991 CZVFPPWJMAUHNM-GFCCVEGCSA-N 319.792 3.506 0 40 DHAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(Cl)nn1 38102873 IEDSJGIVVYNYDE-UHFFFAOYSA-N 302.548 3.689 0 40 DHAB COc1ccc([C@H](Nc2cc(Cl)nc(N)n2)C(C)C)cc1 43535021 QFXBSFFJEWAPJV-CQSZACIVSA-N 306.797 3.530 0 40 DHAB C[C@H](SCc1ccc(Cl)c(Cl)c1)C(=O)NC1CC1 45089888 OUWGXGNBBNIZEV-QMMMGPOBSA-N 304.242 3.894 0 40 DHAB Cc1noc(Cl)c1CCC(=O)Nc1cc(Cl)ccc1O 49449103 IMPHDNOEMLDIKD-UHFFFAOYSA-N 315.156 3.567 0 40 DHAB O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CCCC1 56504503 GXHHLDNRFBYQNU-CYBMUJFWSA-N 324.808 3.526 0 40 DHAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC[C@H](O)C1 69811171 YZVFFHYFJFQVQO-ZDUSSCGKSA-N 322.474 3.874 0 40 DHAB Fc1ccc([C@H](NCc2nnc(C3CC3)o2)C2CCC2)cc1 69949367 HUNZPHLEHORYDO-MRXNPFEDSA-N 301.365 3.717 0 40 DHAB C[C@H](SCc1cccc(C(F)(F)F)c1)C(=O)NC1CC1 71818587 XNGRINPLAGCLOP-VIFPVBQESA-N 303.349 3.606 0 40 DHAB CO[C@@H](C(=O)NC[C@H](c1ccccc1)C(C)C)c1ccccc1 71916891 OVYCNDQWCINQOO-RBUKOAKNSA-N 311.425 3.930 0 40 DHAB CNc1cc(C)c([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72219069 JUJFTINGESOAIJ-CQSZACIVSA-N 305.422 3.894 0 40 DHAB O[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 72225768 ICCBLOPQFMVVEV-NRFANRHFSA-N 316.404 3.726 0 40 DHAB Cc1nc(C[S@](=O)Cc2cccc(C(F)(F)F)c2)cs1 78556002 JHWYVHHKGBYDJV-FQEVSTJZSA-N 319.373 3.919 0 40 DHAB COc1ccccc1S[C@H]1CCN(C(=O)OC(C)(C)C)C1 79440431 PSYASUBQXTYWAC-LBPRGKRZSA-N 309.431 3.797 0 40 DHAB CC(C)(C)OC(=O)N1CCC(CNc2ccccc2F)CC1 89212589 JYXGDWBQEVNXFG-UHFFFAOYSA-N 308.397 3.885 0 40 DHAB COc1cc(NCc2nccn2C(C)C)c(OC)cc1Cl 95411943 XJIMPPVFDJXSLT-UHFFFAOYSA-N 309.797 3.747 0 40 DHAB COc1ccc([C@@H](C)NCc2cccc(OC)c2OC)c(F)c1 95420543 HRWQEZSXOZQJOA-GFCCVEGCSA-N 319.376 3.702 0 40 DHAB COCCc1noc([C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)n1 95962319 VAVQWLPMOLJUMH-VXGBXAGGSA-N 313.184 3.836 0 40 DHAB CO[C@H](C)c1nc(CNc2cc(F)c(F)cc2F)cs1 96004399 TUWNTCJOHXCVQP-SSDOTTSWSA-N 302.321 3.880 0 40 DHAB Cc1ccc(-c2ocnc2C(=O)N[C@@H](C)c2cccnc2)cc1 96426152 NFBOBQFLDSWERF-ZDUSSCGKSA-N 307.353 3.536 0 40 DHAB CCc1ccc([C@@H](C)NCc2nccn2Cc2ccccc2)o1 96478704 AVZFUYKVDMABMT-OAHLLOKOSA-N 309.413 3.938 0 40 DHAB CCOCC1CCN(Cc2sc(C)nc2C(F)(F)F)CC1 97376412 BPRLLVQNJDSVIN-UHFFFAOYSA-N 322.396 3.719 0 40 DHAB C[C@]12C(=O)N(c3cccc4ccccc34)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 102593481 HKAXBQPMEDMGQT-WBFDFMGXSA-N 303.361 3.541 0 40 DHAB C[C@@H](NC(=O)CN1c2ccccc2CC[C@H]1C)c1cccs1 104275594 FXLOZPSAWBTUOI-ZIAGYGMSSA-N 314.454 3.767 0 40 DHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(F)cc1 113953698 LFHJEWVTMBVKPM-KRWDZBQOSA-N 301.361 3.608 0 40 DHAB COc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219849373 WQAOHMBUHYXYKC-UHFFFAOYSA-N 324.424 3.859 0 40 DHAB CCSc1ccccc1C(=O)Nc1nnc(SC)s1 222981801 DRZKSCILXCGXCG-UHFFFAOYSA-N 311.457 3.624 0 40 DHAB CCOc1ccc(C(=O)NCCCOC2CCCCC2)cc1C 223320656 WUZGAMODHAYUGY-UHFFFAOYSA-N 319.445 3.863 0 40 DHAB CCOc1ccc(-c2cnc(CCC(=O)N[C@H](C)CC)o2)cc1 224855017 BKKBKINVCPGJOD-CYBMUJFWSA-N 316.401 3.588 0 40 DHAB Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1cccs1 225131074 NEIDNDMEYGQKDH-UHFFFAOYSA-N 301.820 3.535 0 40 DHAB COc1ccc(CCC(=O)N(C)Cc2ccc(C)cc2)cc1C 225860508 PZMPNQIMOLLXNX-UHFFFAOYSA-N 311.425 3.903 0 40 DHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)nc1C 225896566 ZBELNXCMIHWXSN-KRWDZBQOSA-N 308.422 3.713 0 40 DHAB C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1cccc(N2CCCC2)c1 245281231 AJSNAFTXUAUQPU-QGTPRVQTSA-N 324.424 3.861 0 40 DHAB COC(=O)c1cccc2c1N[C@@H](c1ccccc1)[C@H]1CCO[C@@H]21 409190228 QEFMXFDUYNAWMP-HFTRVMKXSA-N 309.365 3.718 0 40 DHAB CC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccc2ncsc2c1 504158245 KXDWMFFLMUKYHS-UHFFFAOYSA-N 322.393 3.902 0 40 DHAB in-vitro C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2c2ncccn2)CC(C)(C)C1 585131405 VFOOAGXMRRWNOF-KFWWJZLASA-N 301.434 3.603 0 40 DHAB Cc1ccc(C)c(C(=O)N2CCC[C@@H](COc3ccncc3)C2)c1 1775971346 IRJZEXFWCSDIHF-QGZVFWFLSA-N 324.424 3.630 0 40 DHAB Cc1cn2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 1888914037 JLPRCQNSABJJHP-UHFFFAOYSA-N 321.167 3.597 0 40 DHAB COc1ccc(-c2nnc(C)nc2-c2ccc(OC)cc2)cc1 957 HDNJXZZJFPCFHG-UHFFFAOYSA-N 307.353 3.531 0 40 DHAB in-man COc1ccc(NC(=O)Cc2ccccc2)cc1Br 570552 WNBFDXDHEUUGMD-UHFFFAOYSA-N 320.186 3.639 0 40 DHAB CCN(CC)CCCNc1ncnc2sc3c(c12)CCCC3 1778448 NDMIELSVOGTLIU-UHFFFAOYSA-N 318.490 3.714 0 40 DHAB COc1cnc(-c2ccccn2)nc1Oc1ccccc1Cl 3128555 QFEGXSKDDPDKHS-UHFFFAOYSA-N 313.744 3.993 0 40 DHAB CCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(C)c1 4107604 WGYXPTICMYKQFA-KRWDZBQOSA-N 308.381 3.763 0 40 DHAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)O 4189277 CESAUNXAIJCFII-VIFPVBQESA-N 306.387 3.599 0 40 DHAB Cc1nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2s1 5268268 IJWYJBAMQMDCAV-UHFFFAOYSA-N 300.358 3.925 0 40 DHAB CC1(C)[C@H]2CC[C@H](C2)[C@H]1C[C@@H]1OC[C@H](CN2CCCCC2)O1 5415887 IUQYLYYXKZJRJM-DISONHOPSA-N 307.478 3.676 0 40 DHAB CC(C)(C)c1ccc(C(=O)COC(=O)c2cccc(O)c2)cc1 5754813 BSLYXHMYXFFHHM-UHFFFAOYSA-N 312.365 3.729 0 40 DHAB O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c1ccccc1 6111372 MDZVTIKZFXVYCJ-UHFFFAOYSA-N 317.348 3.586 0 40 DHAB COc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cn1 6607682 LDCNLZWRJZKONC-UHFFFAOYSA-N 313.744 3.544 0 40 DHAB O=Cc1c(NCc2ccc(Cl)cc2)c2ccccc2[nH]c1=O 6679403 XEUVHCGNKSWIEL-UHFFFAOYSA-N 312.756 3.606 0 40 DHAB O=C(/C=C/c1cccc(F)c1)OCc1ccc(-n2cccn2)cc1 7254274 LVSFEVGNVBGAAP-JXMROGBWSA-N 322.339 3.768 0 40 DHAB CCOc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 8180009 VAFXEOVDSAMXPO-WJDWOHSUSA-N 311.312 3.569 0 40 DHAB COC(=O)c1cc2c3cc(Br)ccc3n(C)c2s1 9469280 KDDYACYTYNJHPU-UHFFFAOYSA-N 324.199 3.942 0 40 DHAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCc3ccccc32)c1 10027186 LAFYGRFSLNLNHM-UHFFFAOYSA-N 307.393 3.856 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1cccc(OC[C@H]2CCCO2)c1 10296501 UDOBILUJBOEQDA-TZZQJPOUSA-N 323.392 3.896 0 40 DHAB O=C(NC1CC1)[C@@H](Sc1ncccc1Cl)c1ccccc1 11249404 RGQRVXIFZSYXLJ-AWEZNQCLSA-N 318.829 3.847 0 40 DHAB Cc1ccccc1CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12328530 NBRTXUVIQLBSEA-GOSISDBHSA-N 308.425 3.846 0 40 DHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1Cc2ccccc2O1 12553628 VICRDGMTEABPTL-BFUOFWGJSA-N 321.376 3.956 0 40 DHAB C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1 12756588 CHFXTQWKKZLRMD-SNVBAGLBSA-N 300.308 3.937 0 40 DHAB CCc1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 12817250 BKAZCRFRSGHWAV-UHFFFAOYSA-N 322.408 3.624 0 40 DHAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)s1 13010757 ZKACELURBCXVJO-UHFFFAOYSA-N 318.789 3.543 0 40 DHAB c1ccc(-c2c(CN3CCOCC3)cnc3ccccc23)cc1 13483371 AAIQBTDLNDDEPF-UHFFFAOYSA-N 304.393 3.734 0 40 DHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2F)c(C)c1 13672679 GWXJABJBSNYXPZ-UHFFFAOYSA-N 301.317 3.563 0 40 DHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSC(C)(C)C)c1 13710522 FFLVLRZTXWUYLL-AWEZNQCLSA-N 309.475 3.719 0 40 DHAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C(C)C 13750367 WSDRHFJOIVBGMX-UHFFFAOYSA-N 314.429 3.621 0 40 DHAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(F)cc1 15841849 IZUPEOMKVHKMHB-UHFFFAOYSA-N 306.340 3.885 0 40 DHAB CC[C@H](Sc1ccc(N)cc1)C(=O)Nc1ccc(OC)cc1 17053959 BXOINFDCEKBSEQ-INIZCTEOSA-N 316.426 3.787 0 40 DHAB CC[C@@H](CNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 18153082 UHCSPJLRAJURET-AWEZNQCLSA-N 313.397 3.627 0 40 DHAB CCCn1c(C)cc2cc(NC(=O)[C@H](C)n3ccnc3)ccc21 19525968 GBSWGZRKAKKRKR-AWEZNQCLSA-N 310.401 3.756 0 40 DHAB Cc1ccc(CC(=O)NCCCc2ccccc2Cl)cc1 20453406 ZHTOFWSYUKBZFD-UHFFFAOYSA-N 301.817 3.940 0 40 DHAB CC(=O)Nc1ccc(OC(=O)Cc2c(C)[nH]c3ccccc23)cc1 24752984 ZBVNSWAQWAATAL-UHFFFAOYSA-N 322.364 3.583 0 40 DHAB CC(C)[C@@H](CNC(=O)Nc1ccccc1)N1CCCCCC1 24989864 JPJCQRSLVWIDOE-QGZVFWFLSA-N 303.450 3.709 0 40 DHAB C[C@H](NC(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 26399648 GTJZMZFVHYAQPH-YJBOKZPZSA-N 324.424 3.643 0 40 DHAB CCOc1ccc(OC)cc1CSc1nc(C)cc(C)n1 26959616 UVSSBWGUBQJKTA-UHFFFAOYSA-N 304.415 3.793 0 40 DHAB O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)n[nH]1 28305014 UNCNVURKSXTXLH-UHFFFAOYSA-N 311.772 3.911 0 40 DHAB O=C(Nc1cccc2cnccc12)[C@H]1Cc2cc(Cl)ccc2O1 32768037 ZADKSKJJUBYLRW-QGZVFWFLSA-N 324.767 3.830 0 40 DHAB CC(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)s1 32776873 UZZVQPGWHPWHHB-UHFFFAOYSA-N 317.322 3.556 0 40 DHAB CN(Cc1ccsc1)C(=O)NCC1(c2ccccc2)CC1 40068889 QMLWJRLRIGIYDJ-UHFFFAOYSA-N 300.427 3.621 0 40 DHAB CCCOc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1 41155793 HYKTXISALXHOIN-AWEZNQCLSA-N 311.381 3.903 0 40 DHAB CN(Cc1ccco1)C(=O)N[C@H]1CCSc2ccccc21 43166631 GCNMMMFZXPALEY-AWEZNQCLSA-N 302.399 3.658 0 40 DHAB CN(C)[C@@H](CNC(=O)Nc1cccs1)c1ccccc1Cl 44225513 SAGUQBKZHARUEI-ZDUSSCGKSA-N 323.849 3.826 0 40 DHAB CN(Cc1ccco1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 44308056 JCXSGEVNNKIVAU-UHFFFAOYSA-N 311.341 3.962 0 40 DHAB O=C(Nc1nccs1)N1CCCCC[C@@H]1c1ccncc1 45953502 HVBZTHCYQPKQGG-CYBMUJFWSA-N 302.403 3.687 0 40 DHAB Cc1noc(-c2ccc(C(=O)N(C3CC3)[C@@H](C)C(C)C)cc2)n1 46445613 NVGQWRLVTWOLBC-LBPRGKRZSA-N 313.401 3.694 0 40 DHAB Cc1n[nH]c2ncc(CN[C@H]3CCSc4ccccc43)cc12 48341077 TUBYJJIGEXHMOS-HNNXBMFYSA-N 310.426 3.593 0 40 DHAB CC(C)NC(=O)Nc1ccc(CNCc2ccc(F)cc2)cc1 48784730 KTEJFJCRNWBVMD-UHFFFAOYSA-N 315.392 3.645 0 40 DHAB CC(C)COC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 55910998 ZFZSLEZEGWFBLR-ROUUACIJSA-N 319.420 3.593 0 40 DHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)s1 57428570 ISYAFANYYHFAKO-UHFFFAOYSA-N 307.868 3.745 0 40 DHAB CC(C)CCO[C@H](C)C(=O)N1CCc2[nH]c3ccccc3c2C1 58407731 XCJOMFSYDHUAHR-CQSZACIVSA-N 314.429 3.504 0 40 DHAB CCc1nnc([C@@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)o1 70011858 ROBSJNXUXCFUJH-SNVBAGLBSA-N 313.323 3.844 0 40 DHAB Cc1nc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)oc1C 95985848 SVEOUDOGLXPINF-NVXWUHKLSA-N 300.402 3.549 0 40 DHAB CCOC[C@@H](C)Nc1ccc(NC(=O)N2CCCCCC2)cc1 95991593 RAIXSVDIVSUOHC-OAHLLOKOSA-N 319.449 3.931 0 40 DHAB CC[C@@](C)(NC(=O)CCCc1ccccn1)c1nc(C)cs1 96423352 SGYHXXTYOUMBKW-QGZVFWFLSA-N 317.458 3.611 0 40 DHAB COc1ccc(Cl)cc1CN[C@@H](C)c1cnc(C)nc1C 97016646 PHXCMVISUWXOMG-JTQLQIEISA-N 305.809 3.606 0 40 DHAB CC(C)C(=O)Nc1ccc(N[C@H](C)c2cncc(F)c2)cc1 97037092 GRCOEVKZDQJSBY-GFCCVEGCSA-N 301.365 3.988 0 40 DHAB COc1ccc(C)cc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100758617 FGENSCRHDKKOPP-OALUTQOASA-N 315.413 3.728 0 40 DHAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 107357092 NZUCSJYFIBNCMX-GUBZILKMSA-N 318.364 3.557 0 40 DHAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1ccccc1 219574812 LNBVTJKBISHIEJ-KRWDZBQOSA-N 315.388 3.732 0 40 DHAB COc1ccccc1C[C@H](Oc1ccccc1C(C)C)C(=O)O 225097107 KRJXFLOKVJCZIK-SFHVURJKSA-N 314.381 3.893 0 40 DHAB CCCOC(=O)c1ccc(Nc2cccc(OC)c2)c(N)c1 225430030 HDKYEDCSFYPCNF-UHFFFAOYSA-N 300.358 3.588 0 40 DHAB CCN(Cc1ccccc1)C(=O)COc1ccc2c(c1)CCCC2 225750114 LEUWNXXDXPNGGF-UHFFFAOYSA-N 323.436 3.993 0 40 DHAB O=C(NCc1ccnc(-c2ccsc2)c1)c1ccccc1F 225754173 SRMRMEAYABVIDZ-UHFFFAOYSA-N 312.369 3.879 0 40 DHAB C[C@@H]1CC[C@H]1COc1ccc(I)cc1 242718272 XHQQLNGLVKBORD-ZJUUUORDSA-N 302.155 3.716 0 40 DHAB O=C(c1cc2ccccc2s1)N1CCO[C@@H](c2ccncc2)C1 257325255 WSCTYJKVRDOQFS-OAHLLOKOSA-N 324.405 3.510 0 40 DHAB CCCc1nc(-c2noc([C@@H](F)Cc3ccccc3)n2)co1 572920491 CKCCGGZHKPSJPB-LBPRGKRZSA-N 301.321 3.930 0 40 DHAB Cc1cc(F)ccc1-c1ccc(CN2CC[C@H](N(C)C)C2)o1 585084572 BBPOUVFZZBLGDP-HNNXBMFYSA-N 302.393 3.530 0 40 DHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)[nH]n1 1775995815 KDUIEMBRPCNDTD-IYBDPMFKSA-N 307.397 3.790 0 40 DHAB Fc1c(Nc2ccc(Cl)cc2)ncnc1C1CCOCC1 1888856579 ANHLLCWZDQWOAM-UHFFFAOYSA-N 307.756 3.907 0 40 DHAB C[C@]12CO[C@]3(C(=O)Nc4cccc(Cl)c4)C[C@H]1CC[C@]23C 407371 CQZAMSSVBQSDID-BEMMVCDISA-N 305.805 3.874 0 40 DHAB CC(C)(C)Oc1ncc(-c2cccnc2)c(OC(C)(C)C)n1 480960 INNKLQNKYMJPPK-UHFFFAOYSA-N 301.390 3.893 0 40 DHAB Cc1cc(C)cc(CC(=O)NCCc2c[nH]c3ccccc23)c1 525757 USMJTOLZEVRQJK-UHFFFAOYSA-N 306.409 3.686 0 40 DHAB biogenic CCCC(=O)Nc1cc(C)c(NC(=O)C2CCCCC2)cn1 1358297 LETUTIJQPGDTOH-UHFFFAOYSA-N 303.406 3.647 0 40 DHAB Cn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 2524064 RNXUISVWKMSTAW-UHFFFAOYSA-N 313.401 3.837 0 40 DHAB O=C(COc1ccc(Cl)c(Cl)c1)NCCc1ccccc1 2632307 CZMIXBKMBQTSIX-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB CCc1ccccc1NC(=O)/C=C/c1cc(OC)ccc1OC 3557643 KRHATZQDHWMVEY-FMIVXFBMSA-N 311.381 3.918 0 40 DHAB COc1ccc(C2(O)c3ccccc3C(=O)c3ccccc32)cc1 4747905 NAJTYWCNKJBOBQ-UHFFFAOYSA-N 316.356 3.524 0 40 DHAB COc1ccccc1OC(=O)COc1ccc2ccccc2c1 4833451 SQGONYQRNLGLQB-UHFFFAOYSA-N 308.333 3.833 0 40 DHAB CC(C)(C)C1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 4890693 ATFKNDOAGBKEOE-UHFFFAOYSA-N 302.393 3.677 0 40 DHAB CCCCCN(CCCCC)C(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 5308766 DYNDMDXKLAADIH-QZWWFDLISA-N 321.461 3.718 0 40 DHAB C[C@@H](Cc1cccc2c1Nc1ccccc1S2)N(C)CCO 5550640 YVMXOTFHWXEJKP-ZDUSSCGKSA-N 314.454 3.750 0 40 DHAB Cc1cccc(CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 7004547 AEOLFYUEIQGKSV-KUHUBIRLSA-N 314.429 3.632 0 40 DHAB COc1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1OC 7351437 WCFAFCQLHZDQJC-UHFFFAOYSA-N 320.389 3.960 0 40 DHAB c1ccc(OCCCSc2nnc3[nH]c4ccccc4n23)cc1 7371584 TXRCZVPKIUAQDB-UHFFFAOYSA-N 324.409 3.772 0 40 DHAB Cc1ccc2nc(CSc3ncnc4ccccc34)cn2c1 8011726 WJMZSOFYPBUCOT-UHFFFAOYSA-N 306.394 3.878 0 40 DHAB CCOc1cc(/C=C/C(=O)Nc2ccccc2F)ccc1OC 8289084 XQIOVIUMMGLHAC-PKNBQFBNSA-N 315.344 3.885 0 40 DHAB CC(C)CCNc1ncnc2c1cnn2-c1cccc(Cl)c1 8583046 MLFFOUYPWXAEID-UHFFFAOYSA-N 315.808 3.927 0 40 DHAB C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1ccc(F)cc1 9364127 WCUDIHKEYHUHSH-SECBINFHSA-N 320.414 3.987 0 40 DHAB O=C(C1CCCC1)N1CCC(c2onc3c2CCCCC3)CC1 12219362 DPYKIIJSAXLYPW-UHFFFAOYSA-N 316.445 3.840 0 40 DHAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1cccnc1 12515238 FEVROLVROBDQQO-UHFFFAOYSA-N 315.423 3.505 0 40 DHAB NC(=O)c1ccc(NC2c3ccccc3-c3ccccc32)cc1 12607539 SOCNPMDVNCUQQI-UHFFFAOYSA-N 300.361 3.967 0 40 DHAB COc1ccc(-n2cnnc2SCc2cccc(F)c2)cc1 12632105 AXWJZDCUVQNPPX-UHFFFAOYSA-N 315.373 3.707 0 40 DHAB Cc1cnc(NC(=O)Cc2coc3cc(C)c(C)cc23)s1 12802292 PHFHYVDDHKRXHP-UHFFFAOYSA-N 300.383 3.996 0 40 DHAB O=C(CC1(C(=O)O)CCCC1)Nc1cccc(C(F)(F)F)c1 13250251 RKCFECXPUIPLQK-UHFFFAOYSA-N 315.291 3.679 0 40 DHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC1CCC(C)CC1 14246358 JBUXGICSKIULEL-UHFFFAOYSA-N 314.433 3.629 0 40 DHAB O=C(/C=C/c1cccs1)Nc1ccccc1N1CCCC1=O 15614999 GUMKCXUQTOWXHD-MDZDMXLPSA-N 312.394 3.527 0 40 DHAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C 17054252 PHKQYMXUJWJNNT-CKYFFXLPSA-N 317.355 3.561 0 40 DHAB CC1=NC(Nc2nc(C)c3cc(C)cc(C)c3n2)=NC(C)(C)C1 19855813 MKDJHTNGDIIIJM-UHFFFAOYSA-N 309.417 3.966 0 40 DHAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20141666 GZVHKANSXHDQMV-UHFFFAOYSA-N 323.348 3.700 0 40 DHAB CC(C)CC[C@@]1(CCN2CCN(C)CC2)CCO[C@H](C(C)C)C1 20648157 IPORIWFJIBWFBV-VQTJNVASSA-N 324.553 3.882 0 40 DHAB O=C(NCCc1ccccn1)c1sccc1-c1ccccc1 21772992 IKNPLXSBZPKPEP-UHFFFAOYSA-N 308.406 3.783 0 40 DHAB Cc1ccc(OCCC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 23077799 YONCOPPMCMWXFZ-ZDUSSCGKSA-N 319.351 3.920 0 40 DHAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 25048458 LZTQCSZOMCMWFG-UHFFFAOYSA-N 313.307 3.916 0 40 DHAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc2c(c1)OCO2 27692539 XLSOOOUUYWPEOA-SECBINFHSA-N 321.735 3.699 0 40 DHAB Clc1ccc(-c2nc(CSC3=NCCS3)no2)cc1 28187300 JRDHRPQWORDIFH-UHFFFAOYSA-N 311.819 3.726 0 40 DHAB O=S(=O)(c1cccc2cccc(Cl)c12)N1CCCCC1 35685559 WIAFBNATSLQONV-UHFFFAOYSA-N 309.818 3.668 0 40 DHAB Nc1ccc(OCc2ccc(Cl)cc2Cl)c(C(=O)O)c1 37289663 VKLVIUMSTXBCLG-UHFFFAOYSA-N 312.152 3.853 0 40 DHAB COc1ccccc1CN(C)C(=O)c1ccc(OC(C)C)cc1 38752162 QYCKORKVHSWJQB-UHFFFAOYSA-N 313.397 3.755 0 40 DHAB CN(C)C(=O)[C@H](Nc1cccc2c1CCCC2)c1ccccc1 39982328 RKILEGWDLZLYJV-LJQANCHMSA-N 308.425 3.807 0 40 DHAB COc1cccc(-n2ccnc2SCc2csc(C)n2)c1 40024322 KTESYHBXMYBZNL-UHFFFAOYSA-N 317.439 3.938 0 40 DHAB CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC(C)C 40121687 QVBUGGNSDPJJRZ-CABCVRRESA-N 307.434 3.712 0 40 DHAB O=C(CC1CCCCC1)NCc1ccn(-c2ccccc2F)n1 40146862 DVQOWKDDSVVCMY-UHFFFAOYSA-N 315.392 3.598 0 40 DHAB CCOC(=O)c1cnc2c(F)cc(F)cc2c1N(CC)CC 40175553 PFZKPWJFDPCBRY-UHFFFAOYSA-N 308.328 3.536 0 40 DHAB CN(C)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 40478333 PEAZGOJVRDNCDZ-UHFFFAOYSA-N 324.359 3.534 0 40 DHAB O=C(CN1CCC[C@H]1c1ccsc1)Nc1ccc(F)c(F)c1 48367706 XIUPXAXHKVSQHO-HNNXBMFYSA-N 322.380 3.802 0 40 DHAB CC(C)c1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)n[nH]1 52641899 JVRXBLBGJCCONU-UHFFFAOYSA-N 310.357 3.804 0 40 DHAB C[C@H](NC(=O)CC1CCCC1)c1nc(-c2ccc(F)cc2)no1 58195856 GZOJMJCXDIVKST-NSHDSACASA-N 317.364 3.633 0 40 DHAB COc1ccc2cc(C(=O)NC3(c4ccccc4)CCC3)[nH]c2c1 60569648 XUHFYLABZFGEST-UHFFFAOYSA-N 320.392 3.986 0 40 DHAB Cc1ccc(CC(=O)NCCc2coc(-c3ccccc3)n2)cc1 65542987 QJQVIMGKNIKBKP-UHFFFAOYSA-N 320.392 3.551 0 40 DHAB Cc1ccccc1C1(CNC(=O)N(C)[C@H](C)c2cccnc2)CC1 69584069 KDAAXSAGLCRGIZ-MRXNPFEDSA-N 323.440 3.824 0 40 DHAB C[C@@H]1CN(c2ccc(Nc3nc4ccccc4o3)cn2)C[C@@H](C)O1 70039825 NKXPCIUXAWDPAJ-CHWSQXEVSA-N 324.384 3.580 0 40 DHAB C[C@]1(C(=O)Nc2cccc(-c3ncc[nH]3)c2)CC1(Cl)Cl 78797141 KOIKBZDEVHJNMO-CYBMUJFWSA-N 310.184 3.599 0 40 DHAB O=C(Nc1ccc(Oc2cccnc2)nc1)N1C[C@H]2CCC[C@@H]2C1 89883158 BPAUUOYNWFBUQE-ZIAGYGMSSA-N 324.384 3.533 0 40 DHAB c1ccc(CN2CCC3(CCNc4ccccc4O3)CC2)cc1 91302040 WDGNVURNCQTMIN-UHFFFAOYSA-N 308.425 3.916 0 40 DHAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1ncc[nH]1 95436255 XLMKMZDQFIKRFW-UHFFFAOYSA-N 302.378 3.677 0 40 DHAB Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1Cl 95455766 XVBMWGDACPUUBS-CYBMUJFWSA-N 319.796 3.526 0 40 DHAB COc1ccc2c(c1)c(C(=O)Nc1ccc3[nH]ccc3c1)cn2C 95480441 FJGZJBXWDNMYKS-UHFFFAOYSA-N 319.364 3.921 0 40 DHAB Cc1cnc(CSCc2nnc(C3CC3)n2C2CC2)s1 96008435 ITCTXHBXPXWMNG-UHFFFAOYSA-N 306.460 3.689 0 40 DHAB Oc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 100821790 DYLQFWGCSSGRBZ-UHFFFAOYSA-N 305.312 3.908 0 40 DHAB CC(C)COC(=O)[C@H]1CN(c2ccccc2)N=C1c1ccccc1 103769100 XKGLSHKHEOCENT-SFHVURJKSA-N 322.408 3.726 0 40 DHAB C[C@@H]1[C@@H](NC(=O)C(C)(C)Oc2ccc(F)cc2)CCC[C@H]1C 105930587 RMCQFOGBBKNGBI-WWGRRREGSA-N 307.409 3.924 0 40 DHAB CCSc1ccccc1C(=O)NC[C@H](OC)c1ccco1 206860364 ZAJRJLBVKNMOLU-AWEZNQCLSA-N 305.399 3.509 0 40 DHAB CC(C)Oc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1 216958154 BQTBCJCGJIYIBV-UHFFFAOYSA-N 307.349 3.930 0 40 DHAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 223173246 KBVWBWBHXSSKCL-CYBMUJFWSA-N 313.463 3.594 0 40 DHAB Cc1ccc(COc2ccc(/C=C/C(N)=O)cc2Cl)cc1 226333204 BQURMAVMJFUQAD-VQHVLOKHSA-N 301.773 3.726 0 40 DHAB CC[C@@H](C)NC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 227154447 FYABAZNHWMARKY-CYBMUJFWSA-N 319.836 3.898 0 40 DHAB Brc1ccc(C2CCNCC2)c(Br)c1 238000312 XPDBOMUHVKSKLX-UHFFFAOYSA-N 319.040 3.679 0 40 DHAB Cc1cc([C@H](C)NC(=O)c2ccnc(C3CC3)n2)c(C)s1 601638197 HFCTZOISVAXLIO-JTQLQIEISA-N 301.415 3.523 0 40 DHAB CCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 50953 XTPAYHJEORPSIM-UHFFFAOYSA-N 312.394 3.598 0 40 DHAB COc1ccc(-c2nnc(-c3cc4ccccc4oc3=O)o2)cc1 194260 RGZMEEKLEBLKGO-UHFFFAOYSA-N 320.304 3.519 0 40 DHAB O=C(Nc1ccccc1O)c1ccc(C(=O)c2ccccc2)cc1 233271 YMQPFLRVKCMFLC-UHFFFAOYSA-N 317.344 3.876 0 40 DHAB O=C(Nc1ccc(F)cc1F)c1ccc(Br)cc1 326744 UHEWSSMQIPQZQR-UHFFFAOYSA-N 312.113 3.980 0 40 DHAB Cc1nnc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)s1 364213 ITMYVGBVWNHRNL-NSHDSACASA-N 303.431 3.787 0 40 DHAB COC(=O)c1sc(=S)n(-c2ccc(C(C)C)cc2)c1N 425164 XNQUAAYJKNBKKG-UHFFFAOYSA-N 308.428 3.760 0 40 DHAB CCC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1ccc(OC)cc1 564342 BTIZYNZKWXCEPW-IBGZPJMESA-N 324.380 3.633 0 40 DHAB Cc1cc(C)cc(OCCCn2c(CO)nc3ccccc32)c1 1926876 KAKPJKXZUWXDJN-UHFFFAOYSA-N 310.397 3.615 0 40 DHAB COc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccccc2F)cc1 3185407 UQHSCFASEMAZJM-AWEZNQCLSA-N 307.271 3.558 0 40 DHAB CC[C@H]1CCCCN1C(=O)CSc1ncnc2ccccc12 3288396 DUIFENAIIDYVTL-ZDUSSCGKSA-N 315.442 3.513 0 40 DHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCOc1ccccc1 3359672 ZGYJBWRESIBOKJ-UHFFFAOYSA-N 324.207 3.731 0 40 DHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3F)on2)cc1 4060139 BYXULIPZMUVYTJ-UHFFFAOYSA-N 312.300 3.742 0 40 DHAB O=C(c1ccco1)N1CCN=C1SCc1ccc(Cl)cc1 4120083 YNUYUHJLSGWTKY-UHFFFAOYSA-N 320.801 3.678 0 40 DHAB COc1cccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 5169641 ARDOBVMNESJSHI-UHFFFAOYSA-N 323.352 3.614 0 40 DHAB Cc1nn2c(=O)c(CCC(C)C)c(C)[nH]c2c1-c1ccccc1 5209218 PVPNTTJDPBJJED-UHFFFAOYSA-N 309.413 3.895 0 40 DHAB CC(=O)NCCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5639312 PBSAKNXNLWODEA-UHFFFAOYSA-N 313.441 3.669 0 40 DHAB Cc1c(O)ccc2c(CNc3ccc4c(c3)CCC4)cc(=O)oc12 7242596 JHOQYUZRZCGFEX-UHFFFAOYSA-N 321.376 3.908 0 40 DHAB CC(=O)Nc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 8328274 OSOBRUNZSHORGS-QGZVFWFLSA-N 312.438 3.972 0 40 DHAB CC(=O)Nc1ccc(N[C@@H](C)c2nc(-c3ccccc3)no2)cc1 9157693 OUOSRMYSGIPROZ-LBPRGKRZSA-N 322.368 3.868 0 40 DHAB O=c1[nH]cnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 9327367 SCAHDDOKWGYCKS-UHFFFAOYSA-N 323.377 3.672 0 40 DHAB CO[C@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 9553810 JAWBIEMUJUUWJK-KRWDZBQOSA-N 301.773 3.684 0 40 DHAB C[C@@H](NC(=O)CN(C)Cc1ccco1)c1cccc2ccccc12 11230844 RXDQIGBXIHZDLO-OAHLLOKOSA-N 322.408 3.742 0 40 DHAB O=C(c1cccc(F)c1)N1CCC[C@@H]1c1cc2cccnc2[nH]1 12236394 GUWPFAWPUBIUGD-MRXNPFEDSA-N 309.344 3.679 0 40 DHAB CCOc1ccc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)cc1 13620656 MJXMGTZGHFPJJK-FMIVXFBMSA-N 324.380 3.696 0 40 DHAB CCCCc1c(O)nc(-c2cccc(Br)c2)oc1=O 16639525 LQXBEYSVJVHJRI-UHFFFAOYSA-N 324.174 3.513 0 40 DHAB CCC(CC)C(=O)NCc1csc(-c2ccc(OC)cc2)n1 21785912 HFKMCIHHSCGRPS-UHFFFAOYSA-N 318.442 3.871 0 40 DHAB CC(=O)c1sc(NC(=O)C=C(C)C)nc1-c1ccccc1 22896764 KOGMXMWKWFKVFN-UHFFFAOYSA-N 300.383 3.917 0 40 DHAB C[C@H]1CCc2nc3ccccc3c(C(=O)NCc3ccco3)c2C1 29899199 QFZHFXSTXSSCBH-ZDUSSCGKSA-N 320.392 3.883 0 40 DHAB Cc1ccc(CN(C)C(=O)c2csc(-c3ccc(C)o3)n2)o1 31206642 WKICGHLCZSNIHG-UHFFFAOYSA-N 316.382 3.885 0 40 DHAB CCc1cccc(NC(=O)CCCc2nc(C(C)(C)C)no2)c1 31207948 OXPPTFVAGWDLCV-UHFFFAOYSA-N 315.417 3.891 0 40 DHAB COc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2F)cc1 32610620 SYEUEIFMQDVBPY-JTQLQIEISA-N 306.312 3.856 0 40 DHAB Cc1cc(N(C)C)ccc1NC(=O)[C@H](C)n1cnc2ccccc21 40111655 LSZILTNYPKQNST-AWEZNQCLSA-N 322.412 3.610 0 40 DHAB OCCN(Cc1csc(-c2ccco2)n1)C1CCCCC1 50106478 TWFPXJZQFNDYIX-UHFFFAOYSA-N 306.431 3.530 0 40 DHAB CCOc1ccc2cc(C(=O)N3CCc4ccccc43)[nH]c2c1 51454422 QAKSBOYRZBHNES-UHFFFAOYSA-N 306.365 3.770 0 40 DHAB Cc1noc(C)c1CN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 56907141 JXFRHZJNZJDMMJ-UHFFFAOYSA-N 320.820 3.881 0 40 DHAB c1ccc2c(OCCN3CCC[C@@H](N4CCCC4)C3)cccc2c1 68412799 KFOKGENZFCUCPZ-LJQANCHMSA-N 324.468 3.779 0 40 DHAB O=C(CCn1cccn1)Nc1ccccc1SC(F)(F)F 69483971 JFMJGCWEELQYKF-UHFFFAOYSA-N 315.320 3.524 0 40 DHAB CCCCc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1 72239302 TYOPCPCWVOLOFX-UHFFFAOYSA-N 321.446 3.607 0 40 DHAB CCc1csc([C@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 72282253 LKJXNIZAFGNNPX-KBPBESRZSA-N 304.459 3.768 0 40 DHAB CC(C)C(=O)N1CC[C@@H](NCc2ccc3ccccc3c2)[C@@H](C)C1 76057432 ZLHJIEDJGZYRTR-OXJNMPFZSA-N 324.468 3.822 0 40 DHAB C[C@H](S[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N(C)C 77398929 DLTNIZMZGCHTJJ-UWVGGRQHSA-N 305.365 3.976 0 40 DHAB O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCCCCC1 80924358 JVWRDRWOMLRNGG-UHFFFAOYSA-N 311.385 3.630 0 40 DHAB O=C(OCc1ccc(Cl)s1)c1cc(-c2ccco2)[nH]n1 96997889 IGMBWQCULBMKRG-UHFFFAOYSA-N 308.746 3.742 0 40 DHAB COCCC1(C(=O)N2C[C@H](c3ccsc3)C[C@H]2C)CCC1 97015019 XMFKNXIZECNSLS-UKRRQHHQSA-N 307.459 3.659 0 40 DHAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)C1(c2ccccc2)CC1 98020537 NZGPMKQAKVEKFC-QGZVFWFLSA-N 313.441 3.716 0 40 DHAB CCOc1cc(CNC(=O)c2cc(C)ccc2C)ccc1OC 114292625 KZRPDHMRBXNDBQ-UHFFFAOYSA-N 313.397 3.641 0 40 DHAB O=C(NC[C@H]1CCCN1c1ccccc1)c1c[nH]c2ccccc12 207992019 BRYDBLNDXKZNDI-MRXNPFEDSA-N 319.408 3.567 0 40 DHAB CCOc1cccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)c1 216956516 HPDNPUFTAJUAQF-UHFFFAOYSA-N 323.348 3.735 0 40 DHAB CCCC(CCC)OC(=O)c1snnc1-c1cccnc1 223850405 BUMPZSQMLCQPKW-UHFFFAOYSA-N 305.403 3.726 0 40 DHAB Cc1ccc(NC(=S)NCCSCc2ccccc2)nc1 225291718 ATHDKCXLCCMXPF-UHFFFAOYSA-N 317.483 3.610 0 40 DHAB Cc1ccc(NC(=S)NC2(c3ccco3)CCCC2)nc1 225872710 CSCQZJZUODVKKG-UHFFFAOYSA-N 301.415 3.739 0 40 DHAB CCn1c(SCCC(F)(F)Cl)nnc1-c1ccco1 521395199 YGFILVBJXBSHRN-UHFFFAOYSA-N 307.753 3.872 0 40 DHAB O=C(Cc1cccs1)c1ccc(OCCN2CCCC2)cc1 575359131 RJKFEMQSOVEJJI-UHFFFAOYSA-N 315.438 3.648 0 40 DHAB CC[C@H](NC(=O)c1cc(C(F)(F)F)cnc1O)c1ccccc1 585122096 NKVFMQJYFINTOU-ZDUSSCGKSA-N 324.302 3.687 0 40 DHAB O=C1C[C@@H](c2ccc3c(c2)OCCCO3)Oc2ccc(F)cc21 64414 CJUMOVMNDPOMAY-KRWDZBQOSA-N 314.312 3.694 0 40 DHAB COC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1 149428 WOHRYBXPDTWSDF-UHFFFAOYSA-N 315.394 3.512 0 40 DHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 183199 LBJKBXOOSSWJNK-NXEZZACHSA-N 322.257 3.660 0 40 DHAB COc1ccc2c(c1)[nH]c1c(N3C[C@@H](C)C[C@H](C)C3)ncnc12 527597 XWIMOUQNTGZNBX-RYUDHWBXSA-N 310.401 3.602 0 40 DHAB CC(C)c1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)o1 1389060 VMDYNDLAIHYPBL-UHFFFAOYSA-N 316.308 3.827 0 40 DHAB COc1cc(NCCCNCC(C)(C)C)c2ncccc2c1 1687523 AMHNREKQEZWOAV-UHFFFAOYSA-N 301.434 3.681 0 40 DHAB CSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1 3369052 ZVFBLGBDGQPBLB-UHFFFAOYSA-N 319.386 3.805 0 40 DHAB Cc1cc(CNC(=O)CSc2ccccc2F)cc(C)c1O 3458841 LZZCHHRHNUSFJY-UHFFFAOYSA-N 319.401 3.557 0 40 DHAB COc1ccccc1NC(=O)CSCc1ccccc1C 3601221 CTVZEQDVAVUIHP-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB Cc1cc(C)c(C)c(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)c1 4305130 OVTQEYBWPTYCTQ-SOLBZPMBSA-N 305.462 3.614 0 40 DHAB Cc1nnsc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 5239332 QYONJCSAFBUBFO-UHFFFAOYSA-N 321.711 3.771 0 40 DHAB COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c(OC)c1 5512212 DZDJCHCZZANDGO-UHFFFAOYSA-N 323.295 3.558 0 40 DHAB COc1ccccc1NC(=O)CSCc1cccc(C)c1 5555992 KYICABKYRCHAGX-UHFFFAOYSA-N 301.411 3.876 0 40 DHAB Cc1cc(C)c2nc(NC(=O)c3c(C)noc3C)sc2c1 6272855 UASPSSIFNLKCEA-UHFFFAOYSA-N 301.371 3.770 0 40 DHAB O=S(=O)(Nc1ccc(F)cc1)c1ccccc1C(F)(F)F 6528667 OCZDVNITZSLFFP-UHFFFAOYSA-N 319.279 3.645 0 40 DHAB CCOc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1 6767571 XWRCRVYOGLJBPS-UHFFFAOYSA-N 323.352 3.696 0 40 DHAB O=Cc1ccccc1C(=O)OCc1ncc(-c2ccccc2)o1 8718064 LGDUPYCBMIBMMI-UHFFFAOYSA-N 307.305 3.511 0 40 DHAB CC(C)CCNC(=O)c1ccc2nc(-n3cccc3)sc2c1 8991951 UDFBCLMFDLYPOH-UHFFFAOYSA-N 313.426 3.863 0 40 DHAB O=C1CCc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N1 9827771 VKHWNGHPKSRLCS-UHFFFAOYSA-N 316.360 3.977 0 40 DHAB CC(C)c1ccc(CCC(=O)NCCN2CCCCCC2)cc1 10334473 PJKGACXGHWTPDV-UHFFFAOYSA-N 316.489 3.735 0 40 DHAB COc1cc(C)ccc1C1=NN=C(Nc2ccccc2)SC1 12528181 ABSWHEQQGFDDGL-UHFFFAOYSA-N 311.410 3.923 0 40 DHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 12561873 PCSKWRHNPYKODH-MDZDMXLPSA-N 301.367 3.577 0 40 DHAB CC(C)n1ncc2cc(C(=O)N3CCCc4ccccc43)cnc21 12825390 LNZUHHKVWRZFFG-UHFFFAOYSA-N 320.396 3.605 0 40 DHAB CC[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 12920115 KFWKJEOSSACLAC-SECBINFHSA-N 308.378 3.942 0 40 DHAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(-n2ccnc2)cc1 18048192 YZFDRAAZCQTFAN-CYBMUJFWSA-N 309.344 3.502 0 40 DHAB COc1ccccc1[C@@H]1S[C@H](C)C(=O)N1c1ncc(C)s1 19927594 JBPMMIZVSMMQRM-YGRLFVJLSA-N 320.439 3.627 0 40 DHAB FC(F)(F)c1nc2nc(-c3ccco3)cc(-c3ccco3)n2n1 19960914 OBBLUWQSYLOYMP-UHFFFAOYSA-N 320.230 3.663 0 40 DHAB CSc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 20029853 PECLFAMHLZTZMC-ZDUSSCGKSA-N 321.467 3.756 0 40 DHAB Cc1ccccc1C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20137408 LXXWXPFOZLSMOJ-UHFFFAOYSA-N 307.349 4.000 0 40 DHAB O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(=O)O)c1 20145022 PNDCSGBTPOWANH-RMKNXTFCSA-N 301.729 3.690 0 40 DHAB CC[C@H](C)Nc1cc(C)nc2cc(-c3ccccc3OC)nn12 21150535 LNQOEUQWNPQAFV-LBPRGKRZSA-N 310.401 3.924 0 40 DHAB CN(C)c1ccc(CCC(=O)Nc2cccc3ncccc23)cc1 21973848 FPVADOHQVKJULL-UHFFFAOYSA-N 319.408 3.872 0 40 DHAB CCN(CC)CCNCc1ccc(OCc2cccs2)cc1 22076420 SKTNVDCPJXNJTI-UHFFFAOYSA-N 318.486 3.759 0 40 DHAB CC[C@H](NC(=O)c1cn2c(C)cccc2n1)c1ccc(OC)cc1 23649759 SJBIUXJSQKDMKY-INIZCTEOSA-N 323.396 3.532 0 40 DHAB CCCCC(=O)Nc1nonc1-c1ccc(OCC)c(C)c1 27740894 WXYVUYNTHBEYIM-UHFFFAOYSA-N 303.362 3.572 0 40 DHAB O=C(Nc1ccn(Cc2ccc(F)cc2)n1)NC1CCCCC1 27915803 VQDNDZUJBPJODS-UHFFFAOYSA-N 316.380 3.525 0 40 DHAB Cc1ccc(C(=O)CCC(=O)NCCc2cccc(F)c2)s1 32745065 LWBLUQKABUTJHL-UHFFFAOYSA-N 319.401 3.517 0 40 DHAB O=C(CCc1ccc(F)c(F)c1)Nc1nc(C2CC2)cs1 32816707 XTSLEQJOLXDIFO-UHFFFAOYSA-N 308.353 3.870 0 40 DHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 34917956 ZLPREERWMVIGDY-INIZCTEOSA-N 322.408 3.603 0 40 DHAB O=C(O)c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1 40175562 HIAUWWHAVSUINZ-UHFFFAOYSA-N 300.264 3.955 0 40 DHAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1Cl 41095122 GDLWIAPVJNGTBE-GFCCVEGCSA-N 309.818 3.688 0 40 DHAB Brc1cc2cc[nH]c2cc1I 42689378 PMBYXSFYQDBLEF-UHFFFAOYSA-N 321.943 3.535 0 40 DHAB Cc1n[nH]c2c1[C@H](c1ccc3ncccc3c1)SCC(O)=N2 44901331 FMICLSOXJUYDJY-HNNXBMFYSA-N 310.382 3.691 0 40 DHAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(F)c2)on1 44966542 PCCHXSVXUIQRBU-SWLSCSKDSA-N 317.364 3.730 0 40 DHAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F 47103155 ZUPXBYOZWRGSPD-AWEZNQCLSA-N 323.371 3.508 0 40 DHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccsc2)cc1OC 48343235 DVZRPLCQZCSHTO-AWEZNQCLSA-N 317.410 3.743 0 40 DHAB CC1(C)CC(NCc2cnc(C(C)(C)C)s2)CC(C)(C)N1 62838820 HVOHVYDGHWHMSQ-UHFFFAOYSA-N 309.523 3.839 0 40 DHAB O=C(/C=C/c1cccnc1)Nc1cnccc1Oc1ccccc1 65476557 PUUINRAQNVKZNT-CMDGGOBGSA-N 317.348 3.921 0 40 DHAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)C2 71818764 UQYOUMNQGQJWAL-DOTOQJQBSA-N 312.438 3.704 0 40 DHAB CC1(C)[C@@H](C(=O)Oc2ccc(C=O)cc2)[C@@H]1C=C(Cl)Cl 72193604 QTRWGNPDTKBGGP-WCQYABFASA-N 313.180 3.996 0 40 DHAB CCOc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 72333672 QAAWHEZINKKLLN-UHFFFAOYSA-N 302.462 3.536 0 40 DHAB O=C(NCC[C@@H](O)c1cccs1)c1cccc2ccccc12 77113663 MJWOLIHMCISZGK-MRXNPFEDSA-N 311.406 3.755 0 40 DHAB CSC[C@@H](C)N(C)C(=O)Nc1cccc(N(C)C(C)C)c1 77475929 FGZBVTLNNNENOW-CYBMUJFWSA-N 309.479 3.746 0 40 DHAB CC(=O)c1cccc(NC(=O)/C=C/SCc2ccco2)c1 83862076 OYBRZXDWKOEFOU-VQHVLOKHSA-N 301.367 3.868 0 40 DHAB CCCc1nc(CNc2ccc(F)c(C(=O)N(C)C)c2)cs1 86213660 LRZQVJNEIGADOK-UHFFFAOYSA-N 321.421 3.549 0 40 DHAB COc1ncccc1N(C)C(=O)c1cccc(-c2ccoc2)c1 89813013 DCGIHIRNCBZQMZ-UHFFFAOYSA-N 308.337 3.627 0 40 DHAB CCOc1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)cc1OC 92729924 IIBYNMAVASCSMM-OAHLLOKOSA-N 315.417 3.544 0 40 DHAB Cc1cc(-c2noc(C3CCNCC3)n2)cc(C)c1OC(C)C 95095371 ATYQZZVKONQTKE-UHFFFAOYSA-N 315.417 3.608 0 40 DHAB Cc1c(Br)cccc1CN(C)CC1CCOCC1 95981815 HOKKYARVMQMGKX-UHFFFAOYSA-N 312.251 3.616 0 40 DHAB C[C@H]1OCC[C@@H]1C(=O)N(c1cccc2cccnc12)C1CCC1 95983286 OYHFCSFEJARONG-CJNGLKHVSA-N 310.397 3.545 0 40 DHAB C/C(=C\C(=O)OC1CCN(C(C)C)CC1)c1ccc(F)cc1 98053207 PFYUOJRKJUFYFK-WYMLVPIESA-N 305.393 3.645 0 40 DHAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc(C)c1C 102172840 UHVVEARQIVVNGF-UTUOFQBUSA-N 307.415 3.526 0 40 DHAB C[C@@H](NC(=O)Cc1cccc2cccnc12)[C@H]1C[C@H]2CC[C@H]1C2 105665952 KRLZUYYLMTVSMN-YQYZPQCESA-N 308.425 3.718 0 40 DHAB Cc1noc(-c2sccc2NC(=O)c2ccc(F)c(F)c2)n1 207958748 NIESCZKBOYLWDD-UHFFFAOYSA-N 321.308 3.637 0 40 DHAB O=C(O)c1cc(-c2cc3ccccc3oc2=O)ccc1Cl 216937073 SGVVWUDSJASABI-UHFFFAOYSA-N 300.697 3.812 0 40 DHAB Cc1ncsc1C(=O)N1CCS[C@H](c2cccs2)CC1 219517957 OOOWJEGVAUEMTM-LBPRGKRZSA-N 324.496 3.833 0 40 DHAB Cc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222556775 XAPLNVBISUDYAE-RRQGHBQHSA-N 309.438 3.979 0 40 DHAB CSc1cccc(NC(=O)c2cnc(C(C)C)nc2C)c1 222572741 NSDOVZZUALQZAZ-UHFFFAOYSA-N 301.415 3.883 0 40 DHAB Cc1ccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1 222619232 KCJXCVUYZPIADI-UHFFFAOYSA-N 321.355 3.521 0 40 DHAB Cc1nc(/C=C2/SCCN2C(=O)c2ccccc2C)cs1 225259478 MYUMMQXMNKDRTE-OQLLNIDSSA-N 316.451 3.948 0 40 DHAB CCOc1ccc(NC(=S)Nc2cccc3cnncc23)cc1 408976416 RBISWOYJFYPGJQ-UHFFFAOYSA-N 324.409 3.837 0 40 DHAB CCOc1cccc(/C=C2\C(=O)N(CC)c3ccccc32)c1O 409109449 FBOPPOUADTTXPO-QINSGFPZSA-N 309.365 3.698 0 40 DHAB C[C@H](CC(=O)N(C)Cc1ccns1)Cc1cccc(F)c1 585127193 SJOBNEHTBAOGEV-LBPRGKRZSA-N 306.406 3.510 0 40 DHAB O=C(Cc1cncc2ccccc12)N1CC[C@H]1c1ccccc1 1540812723 RQIOWPDKKAGLIV-IBGZPJMESA-N 302.377 3.751 0 40 DHAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1C 130845 DNHNDCSGUKIEBD-UHFFFAOYSA-N 317.772 3.752 0 40 DHAB Clc1ccccc1[C@H]1C[C@@H](c2cccs2)Nc2nnnn21 222717 QRBVEGDPUGNFJT-NWDGAFQWSA-N 317.805 3.534 0 40 DHAB O=c1c2[nH]c3ccccc3c2[nH]c(=S)n1Cc1ccccc1 1254703 ORLRFOZZSPJSHX-UHFFFAOYSA-N 307.378 3.589 0 40 DHAB CCCCCCOc1ccc(C(=O)N[C@H](CCC)C(=O)O)cc1 2307281 IZFBBGMJTPWKCB-MRXNPFEDSA-N 321.417 3.629 0 40 DHAB CCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 2744361 ABENQIRYPGZPRE-UHFFFAOYSA-N 311.204 3.921 0 40 DHAB COc1ccccc1OC(=O)CCc1nc2ccccc2s1 3287991 HMXSJUDPDHZKNN-UHFFFAOYSA-N 313.378 3.843 0 40 DHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C(=O)O)[C@@H]2C[C@H](O)c1ccccc1 3846209 DYCAJMGMLIVAOG-CLLBMXBRSA-N 302.414 3.883 0 40 DHAB Cc1nc(-c2ccc(NC(=O)CCc3ccccc3)c(C)c2)no1 4742116 WAGZYCYMQWIOHW-UHFFFAOYSA-N 321.380 3.925 0 40 DHAB O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccccc1 4854160 MDLONZWHNWQQIW-IBGZPJMESA-N 323.440 3.935 0 40 DHAB COc1ccc(OC)c(NC(=O)Cc2ccccc2Cl)c1 5701696 IKYIAJJYHHDECB-UHFFFAOYSA-N 305.761 3.538 0 40 DHAB O=C(Nc1nnc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 5775889 QDBOVJRGYMJARF-UHFFFAOYSA-N 323.396 3.892 0 40 DHAB COc1cccc(C(=O)OCc2coc(-c3cccs3)n2)c1 6486659 ZPJVXUZVGXTOPG-UHFFFAOYSA-N 315.350 3.769 0 40 DHAB Cc1ccc(OCC(=O)NCC2(c3ccccc3)CCC2)cc1C 11178736 QXFGQNZTUCUUHM-UHFFFAOYSA-N 323.436 3.920 0 40 DHAB C[C@@H](Sc1ncnc2c1cnn2C)c1ccccc1Cl 11682655 CYFQAJJKZQZWOT-SECBINFHSA-N 304.806 3.870 0 40 DHAB CCONC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 14186779 UESIHHNYIWYYBK-UHFFFAOYSA-N 322.364 3.592 0 40 DHAB CC(C)Oc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736539 WAGFGTVCBAOBQA-UHFFFAOYSA-N 304.777 3.962 0 40 DHAB CC(C)CCOC(=O)c1csc(NCc2ccccc2)n1 23199358 LNCRSOOODJLNFN-UHFFFAOYSA-N 304.415 3.958 0 40 DHAB COc1ccccc1CC(=O)Nc1ccc2oc(C3CC3)nc2c1 32818719 SBBLHGFOKABXQJ-UHFFFAOYSA-N 322.364 3.895 0 40 DHAB Cc1cccc(NC(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)c1 38487751 DMJOYHWYMPTPIO-UHFFFAOYSA-N 321.384 3.726 0 40 DHAB Fc1ccc(OCCSc2nnc(-c3ccco3)o2)cc1 40456848 OMJFKCTUVOSNSZ-UHFFFAOYSA-N 306.318 3.640 0 40 DHAB Cc1ccc(CSc2ccc(C(=O)N3CCCC3)cn2)cc1 42760545 XOAKBSPTVTYBAL-UHFFFAOYSA-N 312.438 3.918 0 40 DHAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CC(C)(C)C)n2)C1 45754535 PCLZXTMCPKYUND-BETUJISGSA-N 323.506 3.996 0 40 DHAB O=C(Nc1cccc(-c2cnco2)c1)c1cnc2ccccc2n1 48204718 HAIZWUMQXTXZMA-UHFFFAOYSA-N 316.320 3.537 0 40 DHAB Cc1cc(F)ccc1NS(=O)(=O)c1cccc(Cl)c1C 48653472 RAUZWMOPRRABAC-UHFFFAOYSA-N 313.781 3.897 0 40 DHAB Fc1cc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2cc1F 48878236 YLPBZBPSXDOHGH-UHFFFAOYSA-N 308.291 3.965 0 40 DHAB in-vitro CCCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48885356 JZSZMMFGRKCTBS-IYBDPMFKSA-N 302.462 3.581 0 40 DHAB O=C(Nc1ccc(F)cc1F)N(Cc1cccc(O)c1)C1CC1 56327729 VECRXBDEAMIJPC-UHFFFAOYSA-N 318.323 3.867 0 40 DHAB FC(F)(F)Oc1ccc2nc(NC[C@H]3CCCO3)sc2c1 56900920 XDGSUQBYQQPREK-SECBINFHSA-N 318.320 3.786 0 40 DHAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 64372608 HJACGSMWTFXTNR-MRXNPFEDSA-N 321.380 3.864 0 40 DHAB CC(C)OC(=O)c1cc(N)c(N2CCCC[C@H]2C)c(Cl)c1 70462605 NBHUJVVZLBYFGA-LLVKDONJSA-N 310.825 3.866 0 40 DHAB Fc1ccc(F)c(-c2nc3c4c(Cl)cccc4ncn3n2)c1 71279792 FEFBAPINUXRRIO-UHFFFAOYSA-N 316.698 3.876 0 40 DHAB CSc1cccc(NC(=O)c2c(C)nc3ccc(C)cn23)c1 71459305 LHMOMTWFTCEDBK-UHFFFAOYSA-N 311.410 3.925 0 40 DHAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccccc1C 71795890 YFAIYSNTDHAAKY-UHFFFAOYSA-N 306.369 3.595 0 40 DHAB COCc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)c(C)o1 72285891 ZJFDBLYLYPXKBU-CQSZACIVSA-N 320.414 3.558 0 40 DHAB CCN(Cc1ccccc1)C(=O)c1cc([C@H]2CCCN2C)ccn1 72369300 MJRRCOUMNBXSSV-LJQANCHMSA-N 323.440 3.511 0 40 DHAB Clc1ccc(CNCCCCn2ccnc2)c2ncccc12 89807725 VXYFJVFSJAIYNA-UHFFFAOYSA-N 314.820 3.655 0 40 DHAB CSc1ccc(CN(C)C(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 93903682 GZFJKBHSKQISBT-CHWSQXEVSA-N 307.459 3.571 0 40 DHAB O[C@@H](CN[C@@H](Cc1ccccc1)C(F)(F)F)c1ccsc1 95422954 GGVVHUBONVPRLG-KBPBESRZSA-N 315.360 3.545 0 40 DHAB O=C(Cc1ccccc1Cl)N[C@@H](CCCO)c1ccccc1 95426696 FKXMGPQTFAJUBO-KRWDZBQOSA-N 317.816 3.513 0 40 DHAB Fc1ccc2ncnc(N3CCC(Cc4cccnc4)CC3)c2c1 95457999 YWJLAUUVNXIGTH-UHFFFAOYSA-N 322.387 3.623 0 40 DHAB Cc1ccc(NC(=O)N2CCC[C@H]2c2ncc[nH]2)cc1Cl 95467285 BQUAOTDPYBRPEE-ZDUSSCGKSA-N 304.781 3.741 0 40 DHAB CC(C)(C)OC(=O)NCCc1ccc(Br)s1 95864627 DXBJSPGRHGHJQU-UHFFFAOYSA-N 306.225 3.578 0 40 DHAB c1ccc(-c2cnc(CN3CCN(c4ccccc4)CC3)o2)cc1 95950302 VTOQRROVVPDIIF-UHFFFAOYSA-N 319.408 3.664 0 40 DHAB C[C@H](NCc1nc2ccccc2o1)c1ccc2c(c1)CCC(=O)N2 96491043 VSFMMTCENBNVBB-LBPRGKRZSA-N 321.380 3.563 0 40 DHAB CC1(C)CC2=Nc3nonc3N[C@H]([C@@H]3CC=CCC3)C2=C(O)C1 102749712 MWHXXHXFNHBNND-QMTHXVAHSA-N 314.389 3.925 0 40 DHAB Cc1cccc([C@@H]2CCCN2c2noc(-c3ccccc3)n2)n1 158042010 SCBZHXOEBBZDAT-INIZCTEOSA-N 306.369 3.782 0 40 DHAB CCCN(CCC)C(=O)c1ccc2c(c1)nc(Cl)n2CC 222544526 ZWYXZEHUNSHIAJ-UHFFFAOYSA-N 307.825 3.972 0 40 DHAB CCOc1ccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225107933 QQDPPQGTIYRTPS-SFHVURJKSA-N 314.381 3.777 0 40 DHAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1 226254203 WURILGTUCNJEHP-AWEZNQCLSA-N 309.413 3.900 0 40 DHAB C/C(O)=C1\C[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 390822407 TUGDEWADZKLGJL-WIFSAFJESA-N 322.408 3.649 0 40 DHAB O=C(N1CCC2(CC1)CC2(F)F)C12CC3CC(CC(C3)C1)C2 650599049 BJWZWKHMNJXRQX-UHFFFAOYSA-N 309.400 3.851 0 40 DHAB